#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 0.50 -4.81 1.08 0.23 -1.26 -0.86 115.26 110.13 1cfe n ASN 2 Ca 0.00 -1.61 -0.31 0.00 -0.53 0.00 0.00 54.58 52.13 1cfe n ASN 2 Cb 0.00 -0.09 0.05 0.00 -2.08 0.00 0.00 39.78 37.66 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1cfe s SER 3 N -0.68 5.27 0.16 0.53 0.01 -1.26 -4.91 113.70 112.82 1cfe s SER 3 Ca 0.03 1.65 -0.15 0.00 1.31 0.00 0.00 55.95 58.79 1cfe s SER 3 Cb 0.02 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1cfe s SER 3 CO 0.00 -1.52 1.81 1.55 0.41 0.00 0.00 173.24 175.49 1cfe h PRO 4 N -0.75 0.53 -0.90 12.44 0.13 -2.00 -0.81 132.00 140.64 1cfe h PRO 4 Ca -0.44 -0.03 0.26 0.00 -0.87 0.00 0.00 66.00 64.92 1cfe h PRO 4 Cb 1.21 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1cfe h PRO 4 CO 0.56 0.35 0.65 0.37 -0.23 0.00 0.00 178.00 179.69 1cfe h GLN 5 N 0.54 0.02 -0.29 0.86 4.15 -1.98 -1.33 115.11 117.09 1cfe h GLN 5 Ca 0.17 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1cfe h GLN 5 Cb -0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1cfe h GLN 5 CO -0.07 0.02 0.04 -0.44 -1.93 0.00 0.00 178.83 176.45 1cfe h ASP 6 N 0.03 0.47 0.32 -0.69 3.32 -1.50 0.28 116.42 118.65 1cfe h ASP 6 Ca 0.43 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1cfe h ASP 6 Cb 1.69 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1cfe h ASP 6 CO -0.02 0.61 -0.15 1.88 -1.72 0.00 0.00 179.24 179.84 1cfe h TYR 7 N 0.30 -0.40 -0.84 4.55 -1.99 -1.25 -2.81 116.97 114.52 1cfe h TYR 7 Ca 0.09 -0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.98 1cfe h TYR 7 Cb 0.35 0.13 -0.10 0.00 2.00 0.00 0.00 36.73 39.11 1cfe h TYR 7 CO 0.02 -0.18 0.39 -0.07 -0.00 0.00 0.00 178.16 178.32 1cfe h LEU 8 N -0.54 0.40 0.57 3.88 3.38 -1.23 -1.43 115.31 120.35 1cfe h LEU 8 Ca -0.04 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1cfe h LEU 8 Cb 0.40 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1cfe h LEU 8 CO 0.07 0.12 -0.39 0.00 0.09 0.00 0.00 178.44 178.33 1cfe h ALA 9 N 1.60 -0.96 -0.70 1.53 0.00 -0.34 0.17 119.26 120.56 1cfe h ALA 9 Ca 0.48 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1cfe h ALA 9 Cb 0.78 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1cfe h ALA 9 CO -0.43 -1.06 0.45 0.28 0.00 0.00 0.00 179.25 178.50 1cfe h VAL 10 N -0.93 1.14 0.56 0.00 2.07 -1.14 0.10 116.25 118.06 1cfe h VAL 10 Ca -0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1cfe h VAL 10 Cb 0.77 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1cfe h VAL 10 CO 0.04 0.17 -0.35 0.45 0.02 0.00 0.00 177.57 177.90 1cfe h HIS 11 N 0.91 -0.92 -0.71 1.57 -0.00 -1.15 -1.37 115.15 113.48 1cfe h HIS 11 Ca 0.27 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.71 1cfe h HIS 11 Cb -0.04 0.33 -0.05 0.00 -0.00 0.00 0.00 27.41 27.65 1cfe h HIS 11 CO -0.03 -0.53 0.47 -0.91 -0.00 0.00 0.00 177.93 176.93 1cfe h ASN 12 N -0.86 0.59 0.56 2.45 2.35 -0.11 0.12 115.58 120.69 1cfe h ASN 12 Ca -0.07 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1cfe h ASN 12 Cb 0.70 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1cfe h ASN 12 CO 0.07 0.37 -0.33 -0.78 -1.65 0.00 0.00 177.43 175.11 1cfe h ASP 13 N 0.67 -0.82 -0.78 5.81 3.58 -0.67 0.59 116.42 124.80 1cfe h ASP 13 Ca 0.32 0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.95 1cfe h ASP 13 Cb 0.38 0.23 -0.09 0.00 1.72 0.00 0.00 39.33 41.57 1cfe h ASP 13 CO -0.11 -0.51 0.35 0.00 -2.88 0.00 0.00 179.24 176.09 1cfe h ALA 14 N -1.45 1.13 0.11 -0.78 0.00 -0.38 0.57 119.26 118.46 1cfe h ALA 14 Ca -0.08 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cfe h ALA 14 Cb 0.66 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1cfe h ALA 14 CO 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 1cfe h ARG 15 N 0.52 -0.15 -0.77 0.00 3.08 -0.83 -2.45 114.38 113.78 1cfe h ARG 15 Ca 0.43 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.64 1cfe h ARG 15 Cb 0.62 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.60 1cfe h ARG 15 CO -0.38 -0.08 0.30 0.00 -1.07 0.00 0.00 179.97 178.74 1cfe h ALA 16 N 0.72 1.10 -0.73 0.04 0.00 0.38 0.69 119.26 121.45 1cfe h ALA 16 Ca -0.02 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1cfe h ALA 16 Cb 0.13 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 1cfe h ALA 16 CO 0.03 -0.24 0.30 1.96 0.00 0.00 0.00 179.25 181.30 1cfe h GLN 17 N 0.42 0.44 -0.58 0.00 1.08 -0.45 -0.79 115.11 115.24 1cfe h GLN 17 Ca 0.43 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1cfe h GLN 17 Cb 0.69 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1cfe h GLN 17 CO -0.43 0.29 0.00 1.33 -0.95 0.00 0.00 178.83 179.07 1cfe n VAL 18 N -4.99 2.50 -3.55 -0.54 0.24 -0.81 -4.95 118.33 106.23 1cfe n VAL 18 Ca 0.13 -1.38 -0.23 0.00 -2.04 0.00 0.00 64.34 60.82 1cfe n VAL 18 Cb 0.38 -0.17 0.08 0.00 -1.47 0.00 0.00 33.84 32.66 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 0.70 -0.48 3.83 7.63 0.00 -0.30 -5.01 105.19 111.55 1cfe n GLY 19 Ca 0.27 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.31 5.41 0.83 1.61 1.01 0.14 -4.99 120.40 121.09 1cfe s VAL 20 Ca 0.54 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 1cfe s VAL 20 Cb -0.24 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.75 1cfe s VAL 20 CO 0.70 0.56 1.12 -0.83 0.00 0.00 0.00 175.10 176.65 1cfe s GLY 21 N -0.62 1.72 0.00 4.51 0.00 -1.26 -3.64 107.32 108.03 1cfe s GLY 21 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1cfe s GLY 21 CO 0.04 0.82 0.00 -1.55 0.00 0.00 0.00 173.10 172.41 1cfe n PRO 22 N -3.76 0.35 -3.88 2.90 -0.04 -1.26 -4.89 135.00 124.41 1cfe n PRO 22 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1cfe n PRO 22 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.23 1.37 0.38 0.54 0.23 -1.26 -4.80 119.30 114.53 1cfe s MET 23 Ca 0.00 -1.07 0.05 0.00 -1.03 0.00 0.00 55.69 53.64 1cfe s MET 23 Cb 0.00 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.74 1cfe s MET 23 CO 0.00 -0.56 0.17 -1.54 -2.03 0.00 0.00 175.02 171.06 1cfe s SER 24 N -2.94 2.40 0.73 -1.18 1.04 -1.23 -5.01 113.70 107.50 1cfe s SER 24 Ca 0.15 -1.69 -0.10 0.00 0.48 0.00 0.00 55.95 54.79 1cfe s SER 24 Cb 0.00 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.69 1cfe s SER 24 CO 0.02 -0.97 1.08 0.86 0.98 0.00 0.00 173.24 175.21 1cfe s TRP 25 N -3.31 3.09 -0.23 5.02 -0.11 -1.26 -3.86 118.94 118.27 1cfe s TRP 25 Ca 0.29 0.75 -0.03 0.00 1.22 0.00 0.00 56.10 58.33 1cfe s TRP 25 Cb 0.03 -3.21 0.12 0.00 -1.50 0.00 0.00 33.47 28.91 1cfe s TRP 25 CO 0.18 -1.40 0.33 0.16 -4.62 0.00 0.00 176.95 171.60 1cfe s ASP 26 N -4.47 0.62 0.33 5.86 1.47 -1.26 -4.92 116.67 114.30 1cfe s ASP 26 Ca 0.59 0.05 0.03 0.00 1.18 0.00 0.00 52.55 54.41 1cfe s ASP 26 Cb -0.11 0.89 0.59 0.00 -0.34 0.00 0.00 42.92 43.95 1cfe s ASP 26 CO 0.48 -0.31 1.89 0.00 0.68 0.00 0.00 175.17 177.91 1cfe h ALA 27 N 8.22 1.38 0.13 2.11 0.00 -1.98 -0.08 119.26 129.04 1cfe h ALA 27 Ca -0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1cfe h ALA 27 Cb 1.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1cfe h ALA 27 CO 0.28 0.44 -0.06 -0.91 0.00 0.00 0.00 179.25 178.99 1cfe h ASN 28 N 0.57 -0.15 -0.11 0.00 -0.26 -1.98 0.79 115.58 114.43 1cfe h ASN 28 Ca 0.13 -0.32 -0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1cfe h ASN 28 Cb 0.27 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1cfe h ASN 28 CO 0.00 0.27 0.06 -0.07 -1.06 0.00 0.00 177.43 176.63 1cfe h LEU 29 N -0.61 0.14 -0.54 1.61 3.38 -1.90 -0.38 115.31 117.01 1cfe h LEU 29 Ca -0.02 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1cfe h LEU 29 Cb 0.47 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1cfe h LEU 29 CO 0.03 0.17 0.23 0.00 0.09 0.00 0.00 178.44 178.96 1cfe h ALA 30 N 0.98 0.68 0.00 1.53 0.00 -1.00 0.13 119.26 121.59 1cfe h ALA 30 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 30 Cb 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1cfe h ALA 30 CO -0.01 -0.15 -0.34 1.03 0.00 0.00 0.00 179.25 179.79 1cfe h SER 31 N 0.44 -1.00 -0.56 0.00 0.87 -0.56 0.14 113.55 112.88 1cfe h SER 31 Ca 0.25 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 61.05 1cfe h SER 31 Cb 0.24 0.40 -0.09 0.00 -0.44 0.00 0.00 62.40 62.51 1cfe h SER 31 CO -0.22 -0.40 0.04 -0.09 -0.53 0.00 0.00 176.83 175.63 1cfe h ARG 32 N -0.49 0.15 -0.34 2.24 9.65 0.07 0.15 114.38 125.81 1cfe h ARG 32 Ca 0.06 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.86 1cfe h ARG 32 Cb 0.58 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1cfe h ARG 32 CO -0.27 0.10 -0.06 0.00 2.80 0.00 0.00 179.97 182.54 1cfe h ALA 33 N 1.48 0.46 -0.09 2.80 0.00 -0.36 0.19 119.26 123.74 1cfe h ALA 33 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cfe h ALA 33 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1cfe h ALA 33 CO -0.44 0.28 0.06 0.37 0.00 0.00 0.00 179.25 179.51 1cfe h GLN 34 N 0.42 0.12 -0.39 0.00 5.75 -0.21 0.39 115.11 121.19 1cfe h GLN 34 Ca 0.09 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1cfe h GLN 34 Cb 0.54 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1cfe h GLN 34 CO 0.03 0.10 0.25 -0.91 -2.65 0.00 0.00 178.83 175.65 1cfe h ASN 35 N 0.10 0.46 0.75 -0.69 2.35 -0.64 0.15 115.58 118.05 1cfe h ASN 35 Ca 0.03 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1cfe h ASN 35 Cb 0.01 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1cfe h ASN 35 CO -0.01 0.35 -0.39 0.22 -1.65 0.00 0.00 177.43 175.95 1cfe h TYR 36 N 0.53 -1.02 -0.43 1.19 3.20 -0.43 0.47 116.97 120.48 1cfe h TYR 36 Ca 0.14 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1cfe h TYR 36 Cb -0.04 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 38.49 1cfe h TYR 36 CO -0.04 -0.61 -0.11 0.00 -1.64 0.00 0.00 178.16 175.75 1cfe h ALA 37 N -0.81 0.28 -0.01 1.82 0.00 -0.71 0.15 119.26 119.97 1cfe h ALA 37 Ca -0.10 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cfe h ALA 37 Cb 0.82 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1cfe h ALA 37 CO 0.15 -0.45 -0.37 -0.91 0.00 0.00 0.00 179.25 177.67 1cfe h ASN 38 N -0.00 -1.15 -0.73 0.00 2.35 -0.61 -0.87 115.58 114.57 1cfe h ASN 38 Ca 0.21 0.13 0.05 0.00 -0.55 0.00 0.00 56.30 56.14 1cfe h ASN 38 Cb 0.32 0.44 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 1cfe h ASN 38 CO -0.44 -0.36 0.48 0.77 -1.65 0.00 0.00 177.43 176.23 1cfe h SER 39 N -0.46 0.71 1.03 5.81 4.64 -0.25 -1.91 113.55 123.12 1cfe h SER 39 Ca 0.01 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1cfe h SER 39 Cb 0.49 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1cfe h SER 39 CO -0.26 0.47 -0.33 -0.09 -0.87 0.00 0.00 176.83 175.75 1cfe h ARG 40 N 0.81 0.00 0.00 4.77 2.43 -0.28 -3.33 114.38 118.79 1cfe h ARG 40 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1cfe h ARG 40 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1cfe h ARG 40 CO -0.10 0.33 0.03 0.00 -1.51 0.00 0.00 179.97 178.72 1cfe n ALA 41 N -2.25 1.03 0.30 2.80 0.00 -0.37 0.07 120.51 122.10 1cfe n ALA 41 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 1cfe n ALA 41 Cb 0.52 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 1cfe n ALA 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1cfe h GLY 42 N 0.00 -0.81 0.00 0.00 0.00 -1.79 -3.39 103.07 97.09 1cfe h GLY 42 Ca 0.00 0.30 -0.37 0.00 0.00 0.00 0.00 47.33 47.26 1cfe h GLY 42 CO 0.00 -0.29 -2.24 2.09 0.00 0.00 0.00 176.54 176.10 1cfe n ASP 43 N -5.36 1.69 -2.23 0.19 5.68 0.46 -4.84 116.55 112.15 1cfe n ASP 43 Ca -0.12 0.21 -0.16 0.00 -0.50 0.00 0.00 54.79 54.23 1cfe n ASP 43 Cb 0.34 -0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 39.69 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cfe s ASN 45 N -2.10 6.38 -1.08 0.00 0.01 -1.26 -4.61 114.94 112.29 1cfe s ASN 45 Ca 0.00 1.96 -0.23 0.00 -0.71 0.00 0.00 52.86 53.88 1cfe s ASN 45 Cb 0.00 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.99 1cfe s ASN 45 CO 0.00 -0.75 1.93 0.18 -1.51 0.00 0.00 177.10 176.94 1cfe n LEU 46 N -0.84 3.32 0.00 0.60 4.77 -1.26 -4.65 117.00 118.94 1cfe n LEU 46 Ca 0.09 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1cfe n LEU 46 Cb 0.52 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1cfe n LEU 46 CO 0.40 -1.46 0.00 -0.38 -1.33 0.00 0.00 177.39 174.62 1cfe n ILE 47 N 7.36 0.00 0.00 -0.08 5.41 -1.26 -5.09 119.36 125.69 1cfe n ILE 47 Ca 0.46 0.49 0.00 0.00 1.00 0.00 0.00 62.75 64.70 1cfe n ILE 47 Cb 0.45 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 1cfe n ILE 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1cfe n HIS 48 N -2.05 0.00 -3.67 1.39 8.25 -1.26 -5.14 115.22 112.74 1cfe n HIS 48 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1cfe n HIS 48 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1cfe n HIS 48 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1cfe s SER 49 N 0.00 3.38 0.07 0.41 1.04 -1.26 -5.09 113.70 112.25 1cfe s SER 49 Ca 0.00 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1cfe s SER 49 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1cfe s SER 49 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1cfe n GLY 50 N 5.06 2.03 0.92 7.32 0.00 -1.26 -3.85 105.19 115.41 1cfe n GLY 50 Ca -0.06 0.44 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 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 9.21 2.80 -2.71 4.61 0.00 -1.26 -4.95 120.51 128.22 1cfe n ALA 51 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 53.44 52.48 1cfe n ALA 51 Cb 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 0.11 1.61 3.47 0.00 0.00 -1.25 -0.33 105.19 108.80 1cfe n GLY 52 Ca -0.10 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.45 0.69 -0.14 1.61 2.12 -1.26 -0.90 118.70 119.36 1cfe s GLU 53 Ca 0.22 0.76 -0.03 0.00 0.36 0.00 0.00 54.97 56.28 1cfe s GLU 53 Cb 0.41 0.33 -0.03 0.00 0.26 0.00 0.00 34.13 35.11 1cfe s GLU 53 CO -0.05 -0.09 -0.03 -0.80 -0.54 0.00 0.00 175.26 173.74 1cfe s ASN 54 N 0.22 4.84 0.27 -1.70 0.01 -1.23 -4.87 114.94 112.48 1cfe s ASN 54 Ca -0.01 -0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.12 1cfe s ASN 54 Cb -0.04 -1.72 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 1cfe s ASN 54 CO 0.01 0.20 0.24 -0.76 -1.51 0.00 0.00 177.10 175.29 1cfe s LEU 55 N 0.17 3.82 0.18 0.60 1.43 -1.26 -3.31 118.68 120.32 1cfe s LEU 55 Ca -0.01 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 1cfe s LEU 55 Cb -0.14 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.71 1cfe s LEU 55 CO 0.03 -0.13 0.44 0.00 0.23 0.00 0.00 176.35 176.92 1cfe s ALA 56 N -2.16 -0.63 0.04 4.21 0.00 0.06 -4.98 121.76 118.30 1cfe s ALA 56 Ca 0.35 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1cfe s ALA 56 Cb -0.08 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1cfe s ALA 56 CO 0.26 -0.74 0.03 -1.59 0.00 0.00 0.00 175.76 173.71 1cfe s LYS 57 N -3.90 0.55 0.00 0.00 0.00 -1.26 -0.85 119.74 114.28 1cfe s LYS 57 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 55.97 55.18 1cfe s LYS 57 Cb 0.01 0.20 0.00 0.00 0.00 0.00 0.00 37.83 38.04 1cfe s LYS 57 CO -0.03 -0.12 0.00 0.41 0.00 0.00 0.00 175.35 175.62 1cfe n GLY 58 N 0.66 2.94 3.25 0.59 0.00 -0.99 -4.93 105.19 106.71 1cfe n GLY 58 Ca -0.18 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1cfe n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cfe s GLY 59 N 0.00 1.40 0.00 -0.02 0.00 -1.26 -0.32 107.32 107.12 1cfe s GLY 59 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1cfe s GLY 59 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.52 1cfe n GLY 60 N 3.71 0.59 1.89 0.20 0.00 -1.26 -4.82 105.19 105.50 1cfe n GLY 60 Ca -0.19 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.72 1cfe n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cfe n ASP 61 N 0.00 4.20 -4.60 1.61 5.75 -1.26 -4.83 116.55 117.42 1cfe n ASP 61 Ca 0.00 -2.21 -0.43 0.00 -0.01 0.00 0.00 54.79 52.14 1cfe n ASP 61 Cb 0.00 -1.03 -0.02 0.00 -1.03 0.00 0.00 41.12 39.04 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 0.98 2.77 0.36 2.11 5.36 -1.26 -5.02 117.98 123.28 1cfe s PHE 62 Ca 0.30 0.71 0.04 0.00 -0.96 0.00 0.00 56.93 57.03 1cfe s PHE 62 Cb 0.14 -4.42 -0.01 0.00 -0.34 0.00 0.00 43.02 38.39 1cfe s PHE 62 CO 0.00 -1.34 0.52 0.95 -1.46 0.00 0.00 175.22 173.89 1cfe s THR 63 N 4.55 4.21 0.18 0.12 -4.23 -1.26 -4.95 115.64 114.27 1cfe s THR 63 Ca 0.49 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1cfe s THR 63 Cb -0.08 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.27 1cfe s THR 63 CO 0.32 -0.24 1.56 1.23 -0.54 0.00 0.00 174.62 176.95 1cfe h GLY 64 N 0.77 0.92 0.65 3.99 0.00 -1.89 0.11 103.07 107.63 1cfe h GLY 64 Ca -0.47 -0.86 0.04 0.00 0.00 0.00 0.00 47.33 46.05 1cfe h GLY 64 CO 0.55 0.78 0.07 -0.09 0.00 0.00 0.00 176.54 177.85 1cfe h ARG 65 N 0.72 0.18 -0.91 4.80 1.12 -1.31 -0.26 114.38 118.72 1cfe h ARG 65 Ca 0.08 -0.01 0.07 0.00 -1.11 0.00 0.00 59.98 59.01 1cfe h ARG 65 Cb 0.85 -0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 30.70 1cfe h ARG 65 CO 0.07 0.12 0.57 0.00 -3.11 0.00 0.00 179.97 177.62 1cfe h ALA 66 N 1.23 1.27 0.39 2.80 0.00 -1.72 -0.37 119.26 122.86 1cfe h ALA 66 Ca 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cfe h ALA 66 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cfe h ALA 66 CO -0.19 0.30 -0.41 0.00 0.00 0.00 0.00 179.25 178.95 1cfe h ALA 67 N 1.44 -0.89 -0.28 0.00 0.00 0.88 0.62 119.26 121.02 1cfe h ALA 67 Ca 0.40 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1cfe h ALA 67 Cb 0.22 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1cfe h ALA 67 CO -0.19 -1.04 0.03 0.28 0.00 0.00 0.00 179.25 178.32 1cfe h VAL 68 N -0.83 0.83 -0.75 0.00 2.07 -0.99 -0.35 116.25 116.24 1cfe h VAL 68 Ca -0.03 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.55 1cfe h VAL 68 Cb 0.74 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1cfe h VAL 68 CO -0.08 0.02 0.49 1.56 0.02 0.00 0.00 177.57 179.59 1cfe h GLN 69 N 0.12 0.59 0.01 1.57 1.08 -0.69 0.58 115.11 118.36 1cfe h GLN 69 Ca 0.13 -0.04 -0.21 0.00 -1.45 0.00 0.00 58.65 57.09 1cfe h GLN 69 Cb 0.16 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1cfe h GLN 69 CO -0.20 0.39 -0.91 1.25 -0.95 0.00 0.00 178.83 178.40 1cfe h LEU 70 N 0.61 0.37 0.80 1.46 5.85 0.17 0.26 115.31 124.82 1cfe h LEU 70 Ca 0.35 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1cfe h LEU 70 Cb 0.55 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1cfe h LEU 70 CO -0.13 1.10 -0.38 -0.50 -0.34 0.00 0.00 178.44 178.19 1cfe h TRP 71 N 0.15 -0.99 0.00 1.25 6.55 -0.23 -2.63 115.95 120.05 1cfe h TRP 71 Ca -0.06 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.76 1cfe h TRP 71 Cb 1.55 0.33 0.00 0.00 -0.86 0.00 0.00 29.16 30.18 1cfe h TRP 71 CO 0.04 -0.60 0.00 0.28 -1.05 0.00 0.00 178.44 177.11 1cfe n VAL 72 N -5.52 0.48 0.27 1.49 0.31 0.11 -1.45 118.33 114.02 1cfe n VAL 72 Ca -0.14 0.12 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 1cfe n VAL 72 Cb 0.43 -1.06 0.59 0.00 -0.91 0.00 0.00 33.84 32.89 1cfe n VAL 72 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1cfe h SER 73 N 0.00 0.00 0.00 4.52 0.87 -0.10 0.30 113.55 119.14 1cfe h SER 73 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cfe h SER 73 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1cfe h SER 73 CO 0.00 0.00 0.00 -1.84 -0.53 0.00 0.00 176.83 174.46 1cfe n GLU 74 N -2.33 0.66 -0.16 2.24 0.28 -0.53 -4.39 120.64 116.42 1cfe n GLU 74 Ca -0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1cfe n GLU 74 Cb 0.13 -1.05 -0.04 0.00 1.43 0.00 0.00 31.44 31.91 1cfe n GLU 74 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1cfe n ARG 75 N -0.55 -0.16 0.26 3.44 0.63 0.11 -0.95 116.66 119.43 1cfe n ARG 75 Ca 0.01 1.09 0.11 0.00 -0.92 0.00 0.00 57.85 58.14 1cfe n ARG 75 Cb 0.01 -1.62 0.73 0.00 0.45 0.00 0.00 32.46 32.02 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 -1.85 -1.93 132.00 128.21 1cfe h PRO 76 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1cfe h PRO 76 Cb 0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1cfe h PRO 76 CO -0.35 0.00 -0.22 -1.13 -0.23 0.00 0.00 178.00 176.07 1cfe n SER 77 N -4.32 0.26 -4.92 1.44 3.41 -0.13 -4.71 113.62 104.66 1cfe n SER 77 Ca -0.02 0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.50 1cfe n SER 77 Cb 0.11 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 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 -3.01 3.48 0.19 7.33 -0.85 -0.21 -0.28 117.35 124.00 1cfe s TYR 78 Ca 0.12 0.40 -0.13 0.00 -0.52 0.00 0.00 57.07 56.95 1cfe s TYR 78 Cb 0.18 -1.90 0.00 0.00 0.38 0.00 0.00 41.96 40.63 1cfe s TYR 78 CO 0.61 0.40 0.41 1.21 -1.52 0.00 0.00 175.55 176.65 1cfe s ASN 79 N -2.94 -0.09 0.03 -0.18 3.84 -1.12 -4.86 114.94 109.63 1cfe s ASN 79 Ca 0.39 -0.75 0.00 0.00 0.21 0.00 0.00 52.86 52.71 1cfe s ASN 79 Cb -0.11 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 41.10 1cfe s ASN 79 CO 0.28 -1.00 0.00 0.00 -2.79 0.00 0.00 177.10 173.59 1cfe n TYR 80 N -0.29 -1.95 0.00 0.43 4.19 -1.26 -3.49 117.16 114.79 1cfe n TYR 80 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 1cfe n TYR 80 Cb 0.63 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.46 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1cfe n ALA 81 N -3.00 0.00 -0.05 2.98 0.00 -1.26 -4.03 120.51 115.15 1cfe n ALA 81 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1cfe n ALA 81 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 1.50 -2.36 0.00 -2.24 -1.26 -5.00 114.28 104.92 1cfe n THR 82 Ca 0.00 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 60.91 1cfe n THR 82 Cb 0.00 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.93 -2.64 -3.15 3.42 2.85 -1.25 -5.01 115.26 106.55 1cfe n ASN 83 Ca -0.22 -0.06 -0.10 0.00 -0.11 0.00 0.00 54.58 54.09 1cfe n ASN 83 Cb 1.07 -1.69 -0.00 0.00 1.24 0.00 0.00 39.78 40.40 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 -4.68 2.07 0.19 1.20 -2.07 -1.23 -4.91 119.66 110.24 1cfe s GLN 84 Ca 0.06 -1.48 -0.33 0.00 -1.82 0.00 0.00 55.36 51.79 1cfe s GLN 84 Cb -0.03 0.56 -0.13 0.00 -1.09 0.00 0.00 33.01 32.32 1cfe s GLN 84 CO 0.07 -0.93 1.55 0.00 -1.32 0.00 0.00 175.29 174.66 1cfe s VAL 86 N 0.66 2.04 -0.52 0.00 1.01 0.62 -4.85 120.40 119.36 1cfe s VAL 86 Ca 0.75 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 1cfe s VAL 86 Cb -0.64 -2.22 -0.26 0.00 0.00 0.00 0.00 36.38 33.26 1cfe s VAL 86 CO 0.41 -0.02 1.80 0.61 0.00 0.00 0.00 175.10 177.90 1cfe n GLY 87 N 0.15 1.14 2.68 4.51 0.00 -1.26 -4.27 105.19 108.14 1cfe n GLY 87 Ca 0.04 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 5.06 -1.44 0.61 -0.02 0.00 -1.26 -5.17 105.19 102.97 1cfe n GLY 88 Ca 0.47 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 47.31 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 1.60 -0.94 -2.68 1.61 4.76 -1.26 -4.70 118.16 116.55 1cfe n LYS 89 Ca 0.03 -0.31 -0.04 0.00 -2.87 0.00 0.00 58.31 55.12 1cfe n LYS 89 Cb 0.69 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 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 -1.84 -1.59 0.00 1.97 4.81 -1.26 -5.05 118.16 115.20 1cfe n LYS 90 Ca 0.03 1.62 0.00 0.00 -0.87 0.00 0.00 58.31 59.09 1cfe n LYS 90 Cb 0.10 -4.97 0.00 0.00 0.02 0.00 0.00 35.03 30.18 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 0.00 -2.06 0.08 0.00 3.00 -1.26 -4.72 116.66 111.70 1cfe n ARG 92 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1cfe n ARG 92 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 32.46 27.93 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 -4.36 -2.31 -0.26 -0.14 8.25 -1.26 -4.86 115.22 110.28 1cfe n HIS 93 Ca -0.09 0.44 0.07 0.00 -0.26 0.00 0.00 57.72 57.88 1cfe n HIS 93 Cb 0.57 1.29 0.21 0.00 1.12 0.00 0.00 29.99 33.18 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 0.38 -0.59 4.41 3.20 -1.84 0.98 116.97 123.50 1cfe h TYR 94 Ca 0.00 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1cfe h TYR 94 Cb 0.00 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.11 1cfe h TYR 94 CO 0.00 -0.07 -0.14 1.79 -1.64 0.00 0.00 178.16 178.10 1cfe h THR 95 N 0.31 0.41 -0.65 1.81 1.35 -1.97 0.18 112.91 114.36 1cfe h THR 95 Ca 0.45 -0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.25 1cfe h THR 95 Cb 0.78 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 1cfe h THR 95 CO -0.51 0.00 0.15 -0.61 -0.25 0.00 0.00 175.52 174.30 1cfe h GLN 96 N 0.00 1.02 -0.93 4.72 5.75 -1.17 0.22 115.11 124.72 1cfe h GLN 96 Ca 0.29 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1cfe h GLN 96 Cb 0.44 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 1cfe h GLN 96 CO -0.61 0.91 0.62 0.28 -2.65 0.00 0.00 178.83 177.38 1cfe h VAL 97 N 0.98 1.24 0.01 2.39 2.07 -0.09 -3.08 116.25 119.76 1cfe h VAL 97 Ca 0.21 -0.43 -0.24 0.00 0.82 0.00 0.00 66.70 67.05 1cfe h VAL 97 Cb 0.35 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1cfe h VAL 97 CO 0.00 0.23 -1.25 1.62 0.02 0.00 0.00 177.57 178.19 1cfe h VAL 98 N 1.26 1.41 0.00 2.57 3.04 -0.23 -3.45 116.25 120.85 1cfe h VAL 98 Ca 0.34 -3.16 -0.35 0.00 -1.01 0.00 0.00 66.70 62.52 1cfe h VAL 98 Cb -0.14 2.71 -0.06 0.00 -2.01 0.00 0.00 31.29 31.79 1cfe h VAL 98 CO -0.07 0.81 1.16 1.87 -1.01 0.00 0.00 177.57 180.32 1cfe n TRP 99 N -3.26 0.40 0.09 3.17 -0.00 0.73 -4.78 117.44 113.79 1cfe n TRP 99 Ca -0.06 0.27 0.12 0.00 -0.00 0.00 0.00 57.50 57.83 1cfe n TRP 99 Cb 0.98 -1.58 0.61 0.00 -0.00 0.00 0.00 31.31 31.32 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 7.88 0.12 -0.71 5.87 2.43 -0.94 0.26 114.38 129.28 1cfe h ARG 100 Ca -0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1cfe h ARG 100 Cb 0.88 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 1cfe h ARG 100 CO 0.91 0.08 0.47 -0.91 -1.51 0.00 0.00 179.97 179.02 1cfe h ASN 101 N 0.13 0.81 -3.59 -3.80 2.35 -1.81 -3.42 115.58 106.24 1cfe h ASN 101 Ca 0.14 -0.02 -0.52 0.00 -0.55 0.00 0.00 56.30 55.36 1cfe h ASN 101 Cb 0.41 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1cfe h ASN 101 CO -0.02 0.59 0.20 -0.55 -1.65 0.00 0.00 177.43 176.00 1cfe s SER 102 N -6.40 7.35 -0.01 5.81 0.15 0.90 -4.25 113.70 117.25 1cfe s SER 102 Ca -0.11 1.65 0.02 0.00 0.70 0.00 0.00 55.95 58.21 1cfe s SER 102 Cb 0.18 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1cfe s SER 102 CO 0.78 0.14 0.77 1.33 1.20 0.00 0.00 173.24 177.45 1cfe n VAL 103 N 1.30 0.33 -4.24 4.45 0.24 -1.13 -4.85 118.33 114.43 1cfe n VAL 103 Ca -0.04 -0.36 -0.18 0.00 -2.04 0.00 0.00 64.34 61.72 1cfe n VAL 103 Cb 0.49 0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 33.42 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 -0.42 0.77 -0.45 7.34 0.52 -1.22 -3.54 118.95 121.95 1cfe s ARG 104 Ca 0.03 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1cfe s ARG 104 Cb 0.02 -0.72 0.18 0.00 0.52 0.00 0.00 34.95 34.95 1cfe s ARG 104 CO 0.00 0.17 0.61 -1.17 0.02 0.00 0.00 175.30 174.93 1cfe s LEU 105 N -1.23 -1.04 -0.38 2.53 2.96 -1.25 -3.71 118.68 116.56 1cfe s LEU 105 Ca -0.02 -1.49 -0.08 0.00 -0.22 0.00 0.00 54.13 52.33 1cfe s LEU 105 Cb -0.08 1.53 0.06 0.00 0.50 0.00 0.00 46.19 48.21 1cfe s LEU 105 CO 0.01 -0.13 0.19 -0.83 -1.32 0.00 0.00 176.35 174.27 1cfe s GLY 106 N 1.23 1.92 0.15 7.98 0.00 -0.13 -4.56 107.32 113.91 1cfe s GLY 106 Ca 0.23 -2.00 -0.06 0.00 0.00 0.00 0.00 44.72 42.89 1cfe s GLY 106 CO -0.07 0.89 0.41 0.00 0.00 0.00 0.00 173.10 174.33 1cfe n GLY 108 N 0.19 -0.35 0.79 0.00 0.00 -0.30 -4.41 105.19 101.11 1cfe n GLY 108 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1cfe n GLY 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1cfe n ARG 109 N -1.04 -1.29 -4.00 1.61 0.63 -1.26 -4.57 116.66 106.74 1cfe n ARG 109 Ca 0.00 1.24 -0.09 0.00 -0.92 0.00 0.00 57.85 58.08 1cfe n ARG 109 Cb 0.00 -0.99 -0.11 0.00 0.45 0.00 0.00 32.46 31.81 1cfe n ARG 109 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cfe s ALA 110 N -0.30 0.20 0.25 5.13 0.00 -0.30 -4.81 121.76 121.94 1cfe s ALA 110 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 1cfe s ALA 110 Cb 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 1cfe s ALA 110 CO 0.00 -0.22 0.65 0.50 0.00 0.00 0.00 175.76 176.69 1cfe s ARG 111 N -2.14 3.98 0.05 0.00 3.52 -1.26 -0.75 118.95 122.34 1cfe s ARG 111 Ca -0.10 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1cfe s ARG 111 Cb -0.05 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 1cfe s ARG 111 CO -0.03 0.29 -0.03 0.00 -0.81 0.00 0.00 175.30 174.71 1cfe h ASN 113 N 3.31 0.32 -0.32 0.00 2.35 -1.86 0.16 115.58 119.54 1cfe h ASN 113 Ca -0.34 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1cfe h ASN 113 Cb 1.15 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1cfe h ASN 113 CO 0.63 0.76 0.00 -0.46 -1.65 0.00 0.00 177.43 176.71 1cfe n ASN 114 N -4.59 2.96 -0.00 5.81 0.23 -1.26 -4.41 115.26 114.01 1cfe n ASN 114 Ca -0.07 -1.88 0.02 0.00 -0.53 0.00 0.00 54.58 52.12 1cfe n ASN 114 Cb 0.36 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.83 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 0.95 0.64 7.00 4.83 0.00 -1.20 -5.01 105.19 112.39 1cfe n GLY 115 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.11 0.00 -2.68 1.61 8.01 0.57 -2.35 117.44 121.48 1cfe n TRP 116 Ca 0.01 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.78 1cfe n TRP 116 Cb 0.05 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.32 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 2.58 -0.17 -5.99 0.52 0.56 -0.05 118.94 116.39 1cfe s TRP 117 Ca 0.00 -0.62 -0.22 0.00 0.02 0.00 0.00 56.10 55.28 1cfe s TRP 117 Cb 0.00 -4.52 -0.03 0.00 -1.15 0.00 0.00 33.47 27.77 1cfe s TRP 117 CO 0.00 -1.85 0.66 0.12 0.02 0.00 0.00 176.95 175.90 1cfe s PHE 118 N 4.65 3.41 -0.20 -1.98 2.19 0.07 -2.83 117.98 123.29 1cfe s PHE 118 Ca 0.35 1.01 -0.03 0.00 0.33 0.00 0.00 56.93 58.60 1cfe s PHE 118 Cb -0.07 -2.82 -0.01 0.00 -1.31 0.00 0.00 43.02 38.81 1cfe s PHE 118 CO 0.02 -0.14 -0.06 0.42 1.83 0.00 0.00 175.22 177.30 1cfe s ILE 119 N 1.76 3.34 -0.03 3.12 1.09 -0.03 -1.14 121.20 129.30 1cfe s ILE 119 Ca 0.31 -0.52 0.02 0.00 -1.10 0.00 0.00 60.65 59.36 1cfe s ILE 119 Cb -0.16 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.71 1cfe s ILE 119 CO 0.12 0.45 -0.05 -0.44 -0.10 0.00 0.00 174.94 174.91 1cfe s SER 120 N 1.22 4.77 -0.18 3.58 0.01 -1.26 -0.76 113.70 121.07 1cfe s SER 120 Ca 0.03 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 1cfe s SER 120 Cb -0.14 -1.18 0.09 0.00 0.21 0.00 0.00 66.02 64.99 1cfe s SER 120 CO -0.02 0.32 0.30 0.00 0.41 0.00 0.00 173.24 174.25 1cfe s ASN 122 N 2.46 7.04 0.19 0.00 0.01 0.17 -3.57 114.94 121.24 1cfe s ASN 122 Ca 0.05 1.24 0.05 0.00 -0.71 0.00 0.00 52.86 53.49 1cfe s ASN 122 Cb -0.14 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1cfe s ASN 122 CO -0.12 0.13 0.17 -0.31 -1.51 0.00 0.00 177.10 175.46 1cfe s TYR 123 N -0.38 3.18 -0.10 2.20 1.51 -0.08 -0.96 117.35 122.72 1cfe s TYR 123 Ca 0.32 -0.03 -0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1cfe s TYR 123 Cb -0.19 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1cfe s TYR 123 CO 0.19 0.52 0.23 0.34 -1.11 0.00 0.00 175.55 175.72 1cfe s ASP 124 N -3.32 -0.24 1.32 2.29 -1.08 -1.24 -4.46 116.67 109.93 1cfe s ASP 124 Ca 0.32 0.49 -0.21 0.00 -0.52 0.00 0.00 52.55 52.63 1cfe s ASP 124 Cb -0.10 0.38 0.33 0.00 -1.46 0.00 0.00 42.92 42.08 1cfe s ASP 124 CO 0.24 -0.16 1.01 -2.16 0.52 0.00 0.00 175.17 174.62 1cfe s PRO 125 N 1.23 -2.18 0.58 4.34 0.04 -1.26 -2.85 135.00 134.91 1cfe s PRO 125 Ca -0.09 0.08 -0.18 0.00 0.04 0.00 0.00 61.00 60.85 1cfe s PRO 125 Cb -0.10 -1.47 -0.08 0.00 0.04 0.00 0.00 34.50 32.89 1cfe s PRO 125 CO -0.08 -4.37 0.59 1.33 0.04 0.00 0.00 177.00 174.51 1cfe n VAL 126 N -5.26 2.47 -3.80 -0.36 0.24 -1.26 -4.54 118.33 105.82 1cfe n VAL 126 Ca 0.12 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 1cfe n VAL 126 Cb 0.60 -0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 1cfe n VAL 126 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cfe s GLY 127 N -1.20 0.03 -1.87 7.63 0.00 0.55 -4.71 107.32 107.75 1cfe s GLY 127 Ca 0.70 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1cfe s GLY 127 CO 0.53 -0.65 0.00 0.70 0.00 0.00 0.00 173.10 173.69 1cfe n ASN 128 N -0.14 -4.93 -4.87 1.64 3.02 -1.26 -4.18 115.26 104.53 1cfe n ASN 128 Ca -0.14 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 1cfe n ASN 128 Cb 0.63 -4.35 -0.05 0.00 -0.61 0.00 0.00 39.78 35.39 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1cfe s TRP 129 N -2.63 3.60 0.58 3.10 -0.11 -1.26 -5.07 118.94 117.15 1cfe s TRP 129 Ca 0.00 0.67 -0.19 0.00 1.22 0.00 0.00 56.10 57.80 1cfe s TRP 129 Cb 0.00 -2.06 -0.04 0.00 -1.50 0.00 0.00 33.47 29.87 1cfe s TRP 129 CO 0.00 0.60 1.17 -1.50 -4.62 0.00 0.00 176.95 172.60 1cfe s ILE 130 N -1.28 2.90 0.00 5.86 -1.16 -1.26 -4.09 121.20 122.16 1cfe s ILE 130 Ca 0.28 0.54 0.00 0.00 -0.51 0.00 0.00 60.65 60.96 1cfe s ILE 130 Cb -0.14 -3.19 0.00 0.00 0.61 0.00 0.00 42.46 39.74 1cfe s ILE 130 CO 0.15 -0.14 0.00 0.61 -2.81 0.00 0.00 174.94 172.76 1cfe n GLY 131 N 0.27 3.09 3.84 1.50 0.00 -1.26 -5.02 105.19 107.61 1cfe n GLY 131 Ca 0.12 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 4.09 0.19 1.61 -0.21 -1.26 -5.06 119.66 119.02 1cfe s GLN 132 Ca 0.00 0.84 -0.22 0.00 0.02 0.00 0.00 55.36 56.00 1cfe s GLN 132 Cb 0.00 -2.34 -0.08 0.00 1.00 0.00 0.00 33.01 31.59 1cfe s GLN 132 CO 0.00 0.09 0.74 1.03 -2.12 0.00 0.00 175.29 175.03 1cfe s ARG 133 N -3.05 4.39 -0.15 2.91 3.00 -1.26 -4.95 118.95 119.84 1cfe s ARG 133 Ca 0.57 1.00 -0.12 0.00 0.00 0.00 0.00 55.73 57.18 1cfe s ARG 133 Cb -0.10 -3.07 -0.24 0.00 0.00 0.00 0.00 34.95 31.55 1cfe s ARG 133 CO 0.16 0.49 0.32 -0.35 0.00 0.00 0.00 175.30 175.91 1cfe n PRO 134 N 1.17 0.69 0.00 3.54 -0.04 -1.26 -3.93 135.00 135.17 1cfe n PRO 134 Ca -0.04 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1cfe n PRO 134 Cb 0.50 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1cfe n PRO 134 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94