#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe n ASN 2 N 0.00 2.11 -4.80 1.69 0.23 -1.26 -0.44 115.26 112.79 1cfe n ASN 2 Ca 0.00 -0.24 -0.32 0.00 -0.53 0.00 0.00 54.58 53.49 1cfe n ASN 2 Cb 0.00 1.27 0.03 0.00 -2.08 0.00 0.00 39.78 39.00 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 -2.62 5.55 0.18 0.53 0.01 -1.26 -4.87 113.70 111.22 1cfe s SER 3 Ca -0.01 1.80 -0.15 0.00 1.31 0.00 0.00 55.95 58.90 1cfe s SER 3 Cb 0.06 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.91 1cfe s SER 3 CO 0.36 -1.33 1.68 1.55 0.41 0.00 0.00 173.24 175.92 1cfe h PRO 4 N 0.08 0.08 -0.18 12.44 0.13 -1.98 0.56 132.00 143.13 1cfe h PRO 4 Ca -0.46 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1cfe h PRO 4 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1cfe h PRO 4 CO 0.56 0.05 0.22 -0.56 -0.23 0.00 0.00 178.00 178.05 1cfe h GLN 5 N 0.08 0.00 -0.13 0.86 3.07 -1.98 -1.97 115.11 115.03 1cfe h GLN 5 Ca 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.81 1cfe h GLN 5 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.90 1cfe h GLN 5 CO -0.40 0.00 -0.51 -0.44 0.09 0.00 0.00 178.83 177.57 1cfe h ASP 6 N 0.00 0.68 0.22 0.06 3.32 -1.23 0.30 116.42 119.77 1cfe h ASP 6 Ca 0.09 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1cfe h ASP 6 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1cfe h ASP 6 CO -0.00 1.18 -0.19 1.88 -1.72 0.00 0.00 179.24 180.39 1cfe h TYR 7 N 0.21 -0.50 -0.87 4.55 -1.99 -1.26 -2.78 116.97 114.33 1cfe h TYR 7 Ca -0.03 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.88 1cfe h TYR 7 Cb 1.14 0.19 -0.11 0.00 2.00 0.00 0.00 36.73 39.96 1cfe h TYR 7 CO 0.10 -0.29 0.42 -0.07 -0.00 0.00 0.00 178.16 178.33 1cfe h LEU 8 N -0.43 0.46 0.32 3.88 3.38 -1.25 -0.79 115.31 120.88 1cfe h LEU 8 Ca -0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1cfe h LEU 8 Cb 0.39 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1cfe h LEU 8 CO -0.03 0.13 -0.37 0.00 0.09 0.00 0.00 178.44 178.27 1cfe h ALA 9 N 1.62 -0.76 -0.75 1.53 0.00 -0.14 0.20 119.26 120.95 1cfe h ALA 9 Ca 0.51 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1cfe h ALA 9 Cb 0.83 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1cfe h ALA 9 CO -0.43 -0.97 0.47 0.28 0.00 0.00 0.00 179.25 178.60 1cfe h VAL 10 N -0.73 1.09 0.07 0.00 2.07 -1.12 0.59 116.25 118.23 1cfe h VAL 10 Ca -0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1cfe h VAL 10 Cb 0.67 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1cfe h VAL 10 CO -0.10 0.17 -0.14 0.45 0.02 0.00 0.00 177.57 177.97 1cfe h HIS 11 N 0.91 -0.35 -0.34 1.57 -0.00 -0.68 -0.49 115.15 115.76 1cfe h HIS 11 Ca 0.31 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.72 1cfe h HIS 11 Cb 0.05 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 1cfe h HIS 11 CO -0.04 -0.21 0.13 -0.91 -0.00 0.00 0.00 177.93 176.91 1cfe h ASN 12 N -0.27 0.16 -0.59 2.45 2.35 0.01 0.97 115.58 120.66 1cfe h ASN 12 Ca 0.02 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1cfe h ASN 12 Cb 0.29 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.57 1cfe h ASN 12 CO -0.08 0.13 -0.50 -0.78 -1.65 0.00 0.00 177.43 174.54 1cfe h ASP 13 N 0.29 -1.73 -0.38 5.81 1.82 -0.68 0.20 116.42 121.74 1cfe h ASP 13 Ca 0.15 0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 57.02 1cfe h ASP 13 Cb 0.11 0.76 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1cfe h ASP 13 CO -0.14 -0.35 0.12 0.00 -1.61 0.00 0.00 179.24 177.26 1cfe h ALA 14 N 0.37 0.50 -0.14 -0.78 0.00 -0.18 -2.07 119.26 116.96 1cfe h ALA 14 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cfe h ALA 14 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1cfe h ALA 14 CO -0.70 0.14 0.08 0.00 0.00 0.00 0.00 179.25 178.77 1cfe h ARG 15 N 0.47 0.19 -0.72 0.00 3.08 -0.62 -2.33 114.38 114.44 1cfe h ARG 15 Ca 0.12 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.31 1cfe h ARG 15 Cb 0.26 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.14 1cfe h ARG 15 CO -0.00 0.20 -0.01 0.00 -1.07 0.00 0.00 179.97 179.09 1cfe h ALA 16 N 0.98 0.73 0.00 0.04 0.00 -0.49 0.72 119.26 121.24 1cfe h ALA 16 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cfe h ALA 16 Cb 0.06 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cfe h ALA 16 CO -0.01 -0.41 0.00 1.96 0.00 0.00 0.00 179.25 180.79 1cfe h GLN 17 N 0.10 0.00 0.00 0.00 4.20 -0.80 0.30 115.11 118.92 1cfe h GLN 17 Ca 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 1cfe h GLN 17 Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1cfe h GLN 17 CO -0.64 0.00 -0.08 1.33 -0.67 0.00 0.00 178.83 178.77 1cfe n VAL 18 N -2.58 1.85 -3.84 -0.54 0.24 -0.27 -4.99 118.33 108.19 1cfe n VAL 18 Ca -0.01 -2.30 -0.30 0.00 -2.04 0.00 0.00 64.34 59.69 1cfe n VAL 18 Cb 0.12 -0.21 0.01 0.00 -1.47 0.00 0.00 33.84 32.29 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 -1.35 -0.49 3.82 7.63 0.00 0.09 -4.98 105.19 109.92 1cfe n GLY 19 Ca 0.16 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.21 4.57 0.91 1.61 1.01 0.09 -4.97 120.40 120.40 1cfe s VAL 20 Ca 0.62 1.24 -0.10 0.00 0.00 0.00 0.00 61.98 63.74 1cfe s VAL 20 Cb -0.32 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.40 1cfe s VAL 20 CO 0.77 0.10 1.13 -0.83 0.00 0.00 0.00 175.10 176.26 1cfe s GLY 21 N -1.81 1.68 0.00 4.51 0.00 -1.26 -4.01 107.32 106.42 1cfe s GLY 21 Ca 0.47 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1cfe s GLY 21 CO 0.20 0.92 0.00 -1.55 0.00 0.00 0.00 173.10 172.67 1cfe n PRO 22 N -4.18 0.39 -4.01 2.90 -0.04 -1.26 -4.88 135.00 123.92 1cfe n PRO 22 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1cfe n PRO 22 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 1cfe n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cfe s MET 23 N -0.81 0.80 0.62 0.54 0.23 -1.26 -4.81 119.30 114.61 1cfe s MET 23 Ca 0.00 -1.17 0.04 0.00 -1.03 0.00 0.00 55.69 53.53 1cfe s MET 23 Cb 0.00 0.28 0.09 0.00 -1.53 0.00 0.00 34.83 33.67 1cfe s MET 23 CO 0.00 -0.22 0.85 -1.54 -2.03 0.00 0.00 175.02 172.08 1cfe s SER 24 N -2.93 4.86 0.29 -1.18 1.04 -0.64 -4.99 113.70 110.14 1cfe s SER 24 Ca 0.10 -0.50 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 1cfe s SER 24 Cb 0.06 -0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 1cfe s SER 24 CO -0.07 -1.48 0.54 0.86 0.98 0.00 0.00 173.24 174.07 1cfe s TRP 25 N -2.85 3.48 -0.22 5.02 -0.11 -1.26 -2.43 118.94 120.57 1cfe s TRP 25 Ca 0.62 0.59 -0.02 0.00 1.22 0.00 0.00 56.10 58.51 1cfe s TRP 25 Cb -0.07 -2.06 0.07 0.00 -1.50 0.00 0.00 33.47 29.91 1cfe s TRP 25 CO 0.41 0.18 0.05 0.16 -4.62 0.00 0.00 176.95 173.13 1cfe s ASP 26 N -3.25 3.20 0.47 5.86 -4.77 -0.34 -4.78 116.67 113.05 1cfe s ASP 26 Ca 0.43 -1.02 0.18 0.00 -3.30 0.00 0.00 52.55 48.83 1cfe s ASP 26 Cb -0.11 -0.65 1.13 0.00 -1.09 0.00 0.00 42.92 42.20 1cfe s ASP 26 CO 0.31 -0.33 2.02 0.00 0.70 0.00 0.00 175.17 177.86 1cfe h ALA 27 N 8.22 1.61 0.65 2.11 0.00 -1.98 0.11 119.26 129.97 1cfe h ALA 27 Ca -0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1cfe h ALA 27 Cb 1.09 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cfe h ALA 27 CO 0.37 0.20 -0.31 -0.91 0.00 0.00 0.00 179.25 178.60 1cfe h ASN 28 N 0.00 -0.74 -0.36 0.00 2.35 -1.97 -0.05 115.58 114.82 1cfe h ASN 28 Ca -0.00 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1cfe h ASN 28 Cb 0.31 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1cfe h ASN 28 CO 0.02 -0.41 0.13 -0.07 -1.65 0.00 0.00 177.43 175.45 1cfe h LEU 29 N -1.07 0.56 0.25 1.61 3.38 -1.81 0.93 115.31 119.16 1cfe h LEU 29 Ca -0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1cfe h LEU 29 Cb 0.71 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1cfe h LEU 29 CO 0.15 0.55 -0.12 0.00 0.09 0.00 0.00 178.44 179.10 1cfe h ALA 30 N 1.54 -0.34 -0.79 1.53 0.00 -0.75 0.16 119.26 120.61 1cfe h ALA 30 Ca 0.14 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1cfe h ALA 30 Cb 0.19 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1cfe h ALA 30 CO -0.01 -0.65 0.31 1.03 0.00 0.00 0.00 179.25 179.94 1cfe h SER 31 N -0.42 0.27 0.98 0.00 0.87 -0.39 0.34 113.55 115.20 1cfe h SER 31 Ca -0.03 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1cfe h SER 31 Cb 0.32 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1cfe h SER 31 CO 0.06 0.07 -0.47 -0.09 -0.53 0.00 0.00 176.83 175.87 1cfe h ARG 32 N 0.42 -1.27 -0.47 2.24 9.65 -0.23 0.12 114.38 124.85 1cfe h ARG 32 Ca 0.45 0.09 0.08 0.00 -1.10 0.00 0.00 59.98 59.50 1cfe h ARG 32 Cb 0.74 0.29 -0.07 0.00 -1.39 0.00 0.00 29.97 29.54 1cfe h ARG 32 CO -0.45 -0.84 0.06 0.00 2.80 0.00 0.00 179.97 181.54 1cfe h ALA 33 N -1.33 0.49 0.32 2.80 0.00 -0.30 0.24 119.26 121.47 1cfe h ALA 33 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cfe h ALA 33 Cb 1.01 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1cfe h ALA 33 CO 0.22 -0.34 -0.44 0.37 0.00 0.00 0.00 179.25 179.06 1cfe h GLN 34 N 0.19 -0.78 -0.71 0.00 5.75 -0.94 -0.50 115.11 118.12 1cfe h GLN 34 Ca 0.23 0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1cfe h GLN 34 Cb 0.32 0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 1cfe h GLN 34 CO -0.33 -0.52 0.47 -0.91 -2.65 0.00 0.00 178.83 174.89 1cfe h ASN 35 N -0.81 0.80 0.58 -0.69 2.35 0.32 0.17 115.58 118.29 1cfe h ASN 35 Ca -0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1cfe h ASN 35 Cb 0.75 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1cfe h ASN 35 CO -0.14 0.57 -0.38 0.22 -1.65 0.00 0.00 177.43 176.06 1cfe h TYR 36 N 0.94 -1.00 -0.19 1.19 3.20 -0.50 0.27 116.97 120.88 1cfe h TYR 36 Ca 0.27 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 1cfe h TYR 36 Cb -0.08 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1cfe h TYR 36 CO -0.03 -0.56 -0.15 0.00 -1.64 0.00 0.00 178.16 175.78 1cfe h ALA 37 N -0.59 -0.01 -0.20 1.82 0.00 -0.79 -0.20 119.26 119.29 1cfe h ALA 37 Ca -0.07 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1cfe h ALA 37 Cb 0.75 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1cfe h ALA 37 CO 0.06 -0.58 -0.12 -0.91 0.00 0.00 0.00 179.25 177.69 1cfe h ASN 38 N -0.16 -0.40 0.35 0.00 4.21 -0.55 -3.04 115.58 115.99 1cfe h ASN 38 Ca 0.12 0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.70 1cfe h ASN 38 Cb 0.33 0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1cfe h ASN 38 CO -0.29 -0.16 -0.17 -1.28 -1.29 0.00 0.00 177.43 174.25 1cfe h SER 39 N -0.11 -0.40 -1.10 5.81 0.87 0.03 -3.25 113.55 115.40 1cfe h SER 39 Ca 0.12 -0.04 -0.74 0.00 -1.23 0.00 0.00 61.79 59.89 1cfe h SER 39 Cb 0.28 0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 62.22 1cfe h SER 39 CO -0.27 -0.21 2.23 -1.14 -0.53 0.00 0.00 176.83 176.91 1cfe n ARG 40 N -5.25 3.38 -0.00 2.24 0.63 -0.13 -4.43 116.66 113.09 1cfe n ARG 40 Ca -0.10 -3.32 0.07 0.00 -0.92 0.00 0.00 57.85 53.58 1cfe n ARG 40 Cb 0.23 -3.06 -0.10 0.00 0.45 0.00 0.00 32.46 29.98 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cfe n ALA 41 N 4.88 3.50 -0.12 5.13 0.00 -1.23 -3.67 120.51 129.00 1cfe n ALA 41 Ca 0.43 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1cfe n ALA 41 Cb 0.38 -0.54 0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 3.28 0.47 0.00 0.00 0.00 -1.90 -3.39 103.07 101.53 1cfe h GLY 42 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1cfe h GLY 42 CO 0.00 -0.05 -0.58 2.09 0.00 0.00 0.00 176.54 177.99 1cfe n ASP 43 N -5.12 2.50 -3.86 0.19 5.75 -1.26 -4.93 116.55 109.81 1cfe n ASP 43 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.56 1cfe n ASP 43 Cb 0.20 0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cfe n ASN 45 N -2.95 1.04 -2.14 0.00 5.15 -1.26 -4.18 115.26 110.91 1cfe n ASN 45 Ca -0.28 -1.89 -0.15 0.00 -0.60 0.00 0.00 54.58 51.67 1cfe n ASN 45 Cb 0.67 -0.53 -0.15 0.00 -0.53 0.00 0.00 39.78 39.24 1cfe n ASN 45 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1cfe n LEU 46 N 0.00 5.61 -4.50 1.20 4.77 -1.26 -4.80 117.00 118.03 1cfe n LEU 46 Ca 0.13 -3.32 -0.43 0.00 -0.03 0.00 0.00 56.01 52.37 1cfe n LEU 46 Cb 0.47 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1cfe n LEU 46 CO 0.32 1.74 1.19 -0.63 -1.33 0.00 0.00 177.39 178.68 1cfe s ILE 47 N 1.02 4.38 -1.02 -0.08 1.01 -1.26 -4.89 121.20 120.35 1cfe s ILE 47 Ca 0.67 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1cfe s ILE 47 Cb 0.31 -4.90 -0.08 0.00 0.01 0.00 0.00 42.46 37.80 1cfe s ILE 47 CO -0.01 -1.69 2.14 1.57 0.00 0.00 0.00 174.94 176.95 1cfe n HIS 48 N 7.56 2.06 -1.12 3.97 -0.00 -1.26 -4.82 115.22 121.60 1cfe n HIS 48 Ca 0.28 -2.19 -0.33 0.00 -0.00 0.00 0.00 57.72 55.47 1cfe n HIS 48 Cb 0.50 -1.92 -0.02 0.00 -0.00 0.00 0.00 29.99 28.54 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 5.81 6.52 0.00 0.26 3.41 -1.26 -4.72 113.62 123.64 1cfe n SER 49 Ca 0.51 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1cfe n SER 49 Cb 0.30 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 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 3.75 -1.43 3.44 5.00 0.00 -1.26 -5.12 105.19 109.57 1cfe n GLY 50 Ca 0.62 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.72 2.54 0.00 4.61 0.00 -1.26 -4.72 121.76 121.20 1cfe s ALA 51 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1cfe s ALA 51 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1cfe s ALA 51 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1cfe n GLY 52 N 1.33 3.18 3.80 0.00 0.00 -1.00 -4.74 105.19 107.75 1cfe n GLY 52 Ca -0.16 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 4.39 0.26 1.61 8.01 -1.26 -4.29 118.70 127.43 1cfe s GLU 53 Ca 0.00 1.07 0.11 0.00 0.01 0.00 0.00 54.97 56.17 1cfe s GLU 53 Cb 0.00 -2.82 -0.05 0.00 -4.31 0.00 0.00 34.13 26.95 1cfe s GLU 53 CO 0.00 0.33 -0.20 0.54 0.01 0.00 0.00 175.26 175.94 1cfe s ASN 54 N -1.66 3.43 0.14 -0.19 2.20 -0.85 -5.00 114.94 113.01 1cfe s ASN 54 Ca 0.47 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.38 1cfe s ASN 54 Cb -0.17 -0.27 -0.04 0.00 -2.00 0.00 0.00 41.25 38.76 1cfe s ASN 54 CO 0.22 0.02 0.01 -0.76 -2.94 0.00 0.00 177.10 173.65 1cfe s LEU 55 N -3.38 2.07 0.08 3.54 1.43 -1.26 -1.45 118.68 119.71 1cfe s LEU 55 Ca 0.28 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.09 1cfe s LEU 55 Cb -0.05 0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.29 1cfe s LEU 55 CO 0.13 -0.62 0.32 0.00 0.23 0.00 0.00 176.35 176.41 1cfe s ALA 56 N -3.83 -0.69 0.24 4.21 0.00 0.14 -4.99 121.76 116.85 1cfe s ALA 56 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1cfe s ALA 56 Cb 0.07 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1cfe s ALA 56 CO 0.01 -0.50 0.10 -1.59 0.00 0.00 0.00 175.76 173.77 1cfe s LYS 57 N -3.18 2.65 0.00 0.00 -2.85 -1.26 -0.53 119.74 114.57 1cfe s LYS 57 Ca -0.01 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 1cfe s LYS 57 Cb 0.01 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.37 1cfe s LYS 57 CO -0.07 0.40 0.00 0.41 0.10 0.00 0.00 175.35 176.19 1cfe n GLY 58 N -0.86 0.67 0.00 0.59 0.00 -0.54 -4.96 105.19 100.09 1cfe n GLY 58 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1cfe n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 59 N 0.00 0.51 0.00 -0.02 0.00 -1.25 -4.48 105.19 99.95 1cfe n GLY 59 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 2.71 -0.02 0.00 -1.26 0.05 105.19 106.68 1cfe n GLY 60 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.98 -3.30 1.61 5.75 -1.26 -4.79 116.55 113.58 1cfe n ASP 61 Ca 0.00 -0.19 -0.30 0.00 -0.01 0.00 0.00 54.79 54.28 1cfe n ASP 61 Cb 0.00 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 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 -0.90 1.86 0.00 2.11 7.35 0.11 -4.91 117.46 123.08 1cfe n PHE 62 Ca -0.07 -2.32 0.00 0.00 -0.76 0.00 0.00 57.45 54.30 1cfe n PHE 62 Cb 0.14 -1.96 0.00 0.00 0.35 0.00 0.00 39.48 38.01 1cfe n PHE 62 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1cfe n THR 63 N 4.31 0.00 0.00 -2.13 -2.24 -1.26 -4.66 114.28 108.30 1cfe n THR 63 Ca 0.55 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 1cfe n THR 63 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1cfe n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cfe n GLY 64 N 0.00 1.73 0.25 3.38 0.00 -0.63 -4.60 105.19 105.33 1cfe n GLY 64 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1cfe n GLY 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1cfe h ARG 65 N 0.00 0.17 -0.73 1.61 2.43 -1.04 0.11 114.38 116.94 1cfe h ARG 65 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1cfe h ARG 65 Cb 0.00 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1cfe h ARG 65 CO 0.00 0.11 0.48 0.00 -1.51 0.00 0.00 179.97 179.06 1cfe h ALA 66 N 1.60 1.55 -0.06 2.80 0.00 -1.86 -0.42 119.26 122.87 1cfe h ALA 66 Ca 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1cfe h ALA 66 Cb 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cfe h ALA 66 CO -0.53 0.39 0.02 0.00 0.00 0.00 0.00 179.25 179.13 1cfe h ALA 67 N 1.57 0.07 -0.50 0.00 0.00 -1.09 0.17 119.26 119.48 1cfe h ALA 67 Ca 0.28 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1cfe h ALA 67 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1cfe h ALA 67 CO -0.08 -0.34 0.25 0.28 0.00 0.00 0.00 179.25 179.37 1cfe h VAL 68 N -0.08 0.96 -0.76 0.00 2.07 -0.83 0.14 116.25 117.75 1cfe h VAL 68 Ca 0.02 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1cfe h VAL 68 Cb 0.17 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1cfe h VAL 68 CO -0.00 0.09 0.50 1.56 0.02 0.00 0.00 177.57 179.74 1cfe h GLN 69 N 0.49 0.56 0.30 1.57 4.20 -0.75 0.77 115.11 122.25 1cfe h GLN 69 Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1cfe h GLN 69 Cb 0.13 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1cfe h GLN 69 CO -0.16 0.37 -0.14 1.25 -0.67 0.00 0.00 178.83 179.48 1cfe h LEU 70 N 0.58 -0.34 -0.66 1.46 5.85 0.13 0.12 115.31 122.46 1cfe h LEU 70 Ca 0.37 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.09 1cfe h LEU 70 Cb 0.62 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1cfe h LEU 70 CO -0.13 -0.14 0.33 -0.50 -0.34 0.00 0.00 178.44 177.66 1cfe h TRP 71 N -0.52 0.59 -0.35 1.25 6.55 -0.37 -1.61 115.95 121.48 1cfe h TRP 71 Ca -0.04 0.03 -0.17 0.00 0.95 0.00 0.00 58.89 59.66 1cfe h TRP 71 Cb 0.39 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 28.52 1cfe h TRP 71 CO -0.02 0.23 -0.44 0.28 -1.05 0.00 0.00 178.44 177.43 1cfe h VAL 72 N 0.58 1.27 0.00 1.49 2.07 -0.82 -2.68 116.25 118.16 1cfe h VAL 72 Ca 0.32 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1cfe h VAL 72 Cb 0.30 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1cfe h VAL 72 CO -0.24 0.54 0.00 -1.54 0.02 0.00 0.00 177.57 176.35 1cfe n SER 73 N -4.04 0.46 -2.61 0.57 3.41 0.42 -1.31 113.62 110.52 1cfe n SER 73 Ca -0.03 0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1cfe n SER 73 Cb 0.58 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1cfe n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cfe n GLU 74 N -2.10 1.56 -0.09 4.33 -0.58 -1.26 -4.51 120.64 117.99 1cfe n GLU 74 Ca -0.01 -0.95 -0.17 0.00 -0.42 0.00 0.00 57.16 55.62 1cfe n GLU 74 Cb 0.06 -2.07 -0.09 0.00 -0.57 0.00 0.00 31.44 28.77 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1cfe h ARG 75 N 5.10 0.00 -0.04 3.49 2.43 -1.54 -2.79 114.38 121.02 1cfe h ARG 75 Ca 0.27 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1cfe h ARG 75 Cb 0.58 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1cfe h ARG 75 CO 0.80 0.76 0.07 -1.00 -1.51 0.00 0.00 179.97 179.09 1cfe h PRO 76 N -1.00 0.00 -0.00 0.20 0.13 -1.88 -0.85 132.00 128.60 1cfe h PRO 76 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1cfe h PRO 76 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1cfe h PRO 76 CO -0.14 0.00 -0.13 -1.13 -0.23 0.00 0.00 178.00 176.38 1cfe n SER 77 N -3.60 0.32 -4.90 1.44 3.41 -1.24 -4.62 113.62 104.43 1cfe n SER 77 Ca -0.02 -0.25 -0.32 0.00 -0.26 0.00 0.00 58.87 58.02 1cfe n SER 77 Cb 0.15 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1cfe n SER 77 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1cfe s TYR 78 N -2.67 3.52 -0.16 7.33 -0.85 -0.32 -0.21 117.35 123.98 1cfe s TYR 78 Ca 0.23 0.46 -0.20 0.00 -0.52 0.00 0.00 57.07 57.04 1cfe s TYR 78 Cb 0.19 -1.92 0.05 0.00 0.38 0.00 0.00 41.96 40.66 1cfe s TYR 78 CO 0.52 0.53 0.53 1.21 -1.52 0.00 0.00 175.55 176.82 1cfe s ASN 79 N -2.26 -0.53 0.00 -0.18 3.84 -1.20 -4.82 114.94 109.79 1cfe s ASN 79 Ca 0.36 0.91 0.00 0.00 0.21 0.00 0.00 52.86 54.33 1cfe s ASN 79 Cb -0.13 0.92 0.00 0.00 -0.55 0.00 0.00 41.25 41.49 1cfe s ASN 79 CO 0.23 -0.29 0.00 0.00 -2.79 0.00 0.00 177.10 174.26 1cfe n TYR 80 N 2.31 0.00 0.00 0.43 4.19 -1.26 -2.81 117.16 120.01 1cfe n TYR 80 Ca -0.15 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.06 1cfe n TYR 80 Cb 0.56 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.39 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 -0.01 2.98 0.00 -1.26 -2.36 120.51 116.87 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.09 -1.55 0.00 -2.24 -1.26 -5.08 114.28 104.25 1cfe n THR 82 Ca 0.00 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1cfe n THR 82 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1cfe n THR 82 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cfe n ASN 83 N -1.86 -2.13 -3.69 3.42 5.15 -0.99 -5.08 115.26 110.07 1cfe n ASN 83 Ca -0.02 -0.02 -0.14 0.00 -0.60 0.00 0.00 54.58 53.80 1cfe n ASN 83 Cb 0.35 -0.64 -0.07 0.00 -0.53 0.00 0.00 39.78 38.88 1cfe n ASN 83 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1cfe s GLN 84 N -3.04 0.82 -0.04 1.20 -1.52 -1.12 -5.02 119.66 110.93 1cfe s GLN 84 Ca 0.01 -0.18 -0.35 0.00 -1.95 0.00 0.00 55.36 52.90 1cfe s GLN 84 Cb -0.00 0.37 -0.13 0.00 -0.22 0.00 0.00 33.01 33.03 1cfe s GLN 84 CO 0.02 -0.25 1.76 0.00 -0.25 0.00 0.00 175.29 176.57 1cfe s VAL 86 N 3.06 2.39 -1.62 0.00 1.01 0.71 -2.89 120.40 123.07 1cfe s VAL 86 Ca 0.90 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 63.04 1cfe s VAL 86 Cb -0.75 -3.22 0.19 0.00 0.00 0.00 0.00 36.38 32.60 1cfe s VAL 86 CO 0.50 0.07 0.55 0.61 0.00 0.00 0.00 175.10 176.82 1cfe n GLY 87 N 0.63 -0.42 4.14 4.51 0.00 -1.26 0.17 105.19 112.96 1cfe n GLY 87 Ca 0.03 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.04 -0.29 3.76 -0.02 0.00 -1.14 -4.94 105.19 101.52 1cfe n GLY 88 Ca 0.10 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -6.87 0.95 -0.41 1.61 -0.14 0.13 -4.89 119.74 110.11 1cfe s LYS 89 Ca 0.31 0.33 -0.02 0.00 -1.36 0.00 0.00 55.97 55.23 1cfe s LYS 89 Cb -0.17 -1.81 0.19 0.00 -1.68 0.00 0.00 37.83 34.35 1cfe s LYS 89 CO 0.93 -2.34 2.27 1.63 -0.76 0.00 0.00 175.35 177.08 1cfe n LYS 90 N -3.87 2.11 -0.89 1.68 5.02 -1.26 -4.35 118.16 116.60 1cfe n LYS 90 Ca 0.06 -2.05 -0.18 0.00 -2.02 0.00 0.00 58.31 54.12 1cfe n LYS 90 Cb 0.59 -1.87 0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cfe n ARG 92 N -0.42 1.49 0.00 0.00 3.00 -1.26 -2.79 116.66 116.69 1cfe n ARG 92 Ca 0.40 -0.59 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1cfe n ARG 92 Cb 1.05 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 32.04 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 1.75 -1.34 -0.33 -0.14 8.25 -1.26 -4.84 115.22 117.31 1cfe n HIS 93 Ca 0.20 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.78 1cfe n HIS 93 Cb 0.66 0.49 0.25 0.00 1.12 0.00 0.00 29.99 32.51 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 -0.10 -0.90 4.41 3.20 -1.39 0.13 116.97 122.32 1cfe h TYR 94 Ca 0.00 0.07 0.23 0.00 3.14 0.00 0.00 58.73 62.17 1cfe h TYR 94 Cb 0.00 0.20 -0.16 0.00 1.54 0.00 0.00 36.73 38.31 1cfe h TYR 94 CO 0.00 -0.39 0.03 1.79 -1.64 0.00 0.00 178.16 177.95 1cfe h THR 95 N 0.03 0.17 -0.14 1.81 1.35 -1.84 0.22 112.91 114.50 1cfe h THR 95 Ca 0.55 -0.02 -0.06 0.00 -0.55 0.00 0.00 66.41 66.33 1cfe h THR 95 Cb 1.07 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1cfe h THR 95 CO -0.89 0.01 -0.15 -0.61 -0.25 0.00 0.00 175.52 173.63 1cfe h GLN 96 N 0.07 0.36 -0.53 4.72 5.75 -1.07 -0.67 115.11 123.73 1cfe h GLN 96 Ca 0.52 -0.19 0.10 0.00 -0.15 0.00 0.00 58.65 58.94 1cfe h GLN 96 Cb 1.02 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.49 1cfe h GLN 96 CO -0.81 0.75 0.03 0.28 -2.65 0.00 0.00 178.83 176.43 1cfe h VAL 97 N -0.02 0.60 -0.00 2.39 2.07 -0.82 -0.64 116.25 119.83 1cfe h VAL 97 Ca 0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1cfe h VAL 97 Cb 0.69 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1cfe h VAL 97 CO 0.04 0.03 -0.05 0.55 0.02 0.00 0.00 177.57 178.16 1cfe n VAL 98 N -5.22 0.00 -1.78 2.57 3.14 -0.08 -4.76 118.33 112.21 1cfe n VAL 98 Ca 0.06 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1cfe n VAL 98 Cb 0.29 -0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 32.88 1cfe n VAL 98 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1cfe s TRP 99 N -2.25 1.43 0.11 1.45 -0.11 -0.25 -4.58 118.94 114.74 1cfe s TRP 99 Ca 0.36 0.71 -0.31 0.00 1.22 0.00 0.00 56.10 58.09 1cfe s TRP 99 Cb 0.21 -3.97 -0.10 0.00 -1.50 0.00 0.00 33.47 28.10 1cfe s TRP 99 CO 0.42 -3.36 1.59 -0.09 -4.62 0.00 0.00 176.95 170.89 1cfe h ARG 100 N 14.80 -0.64 -1.99 5.86 2.43 -0.91 -2.41 114.38 131.52 1cfe h ARG 100 Ca -0.35 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.78 1cfe h ARG 100 Cb 1.21 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1cfe h ARG 100 CO 1.03 -0.43 -0.12 -1.71 -1.51 0.00 0.00 179.97 177.23 1cfe n ASN 101 N -5.47 5.35 -3.48 -3.80 5.15 -1.26 -4.29 115.26 107.47 1cfe n ASN 101 Ca -0.08 -2.46 -0.18 0.00 -0.60 0.00 0.00 54.58 51.26 1cfe n ASN 101 Cb 0.38 -1.23 -0.12 0.00 -0.53 0.00 0.00 39.78 38.27 1cfe n ASN 101 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1cfe s SER 102 N 1.94 1.53 0.00 1.20 0.01 -0.91 -4.39 113.70 113.08 1cfe s SER 102 Ca 0.25 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1cfe s SER 102 Cb 0.12 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1cfe s SER 102 CO -0.00 -0.34 0.22 1.33 0.41 0.00 0.00 173.24 174.86 1cfe n VAL 103 N 5.31 0.00 -4.10 3.43 0.24 -0.89 -4.80 118.33 117.52 1cfe n VAL 103 Ca -0.05 -0.44 -0.36 0.00 -2.04 0.00 0.00 64.34 61.45 1cfe n VAL 103 Cb 0.49 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.43 3.27 -0.03 7.34 0.52 -0.11 -1.62 118.95 127.89 1cfe s ARG 104 Ca 0.00 -0.26 -0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1cfe s ARG 104 Cb 0.00 -3.02 0.03 0.00 0.52 0.00 0.00 34.95 32.48 1cfe s ARG 104 CO 0.00 0.72 0.03 -1.17 0.02 0.00 0.00 175.30 174.90 1cfe s LEU 105 N -0.89 0.97 -0.14 2.53 2.96 -1.02 -2.21 118.68 120.88 1cfe s LEU 105 Ca 0.14 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1cfe s LEU 105 Cb -0.12 -0.12 0.07 0.00 0.50 0.00 0.00 46.19 46.52 1cfe s LEU 105 CO 0.03 -0.14 0.30 -0.83 -1.32 0.00 0.00 176.35 174.39 1cfe s GLY 106 N 1.21 -0.17 0.34 7.98 0.00 -0.60 -1.20 107.32 114.89 1cfe s GLY 106 Ca -0.07 1.05 0.07 0.00 0.00 0.00 0.00 44.72 45.76 1cfe s GLY 106 CO -0.03 2.07 -0.03 0.00 0.00 0.00 0.00 173.10 175.11 1cfe s GLY 108 N -3.57 -0.48 -0.16 0.00 0.00 0.05 -4.47 107.32 98.70 1cfe s GLY 108 Ca 0.33 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1cfe s GLY 108 CO 0.15 0.41 -0.15 -1.60 0.00 0.00 0.00 173.10 171.91 1cfe s ARG 109 N -2.36 2.44 -0.09 2.90 3.52 -1.26 -1.70 118.95 122.41 1cfe s ARG 109 Ca -0.06 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 1cfe s ARG 109 Cb -0.01 -2.23 0.01 0.00 -1.56 0.00 0.00 34.95 31.17 1cfe s ARG 109 CO -0.01 -0.24 -0.16 0.00 -0.81 0.00 0.00 175.30 174.08 1cfe s ALA 110 N 1.44 1.60 -1.42 6.12 0.00 0.27 -4.93 121.76 124.83 1cfe s ALA 110 Ca 0.05 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 1cfe s ALA 110 Cb -0.13 -0.71 0.06 0.00 0.00 0.00 0.00 23.12 22.34 1cfe s ALA 110 CO -0.11 0.08 2.34 -2.13 0.00 0.00 0.00 175.76 175.94 1cfe n ARG 111 N 3.90 3.63 -0.92 0.00 0.63 -1.26 -0.24 116.66 122.39 1cfe n ARG 111 Ca -0.21 -2.94 -0.31 0.00 -0.92 0.00 0.00 57.85 53.47 1cfe n ARG 111 Cb 0.52 -2.94 0.14 0.00 0.45 0.00 0.00 32.46 30.63 1cfe n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cfe n ASN 113 N -3.92 0.00 0.06 0.00 0.23 -1.26 -1.65 115.26 108.72 1cfe n ASN 113 Ca 0.11 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.29 1cfe n ASN 113 Cb 0.52 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.70 1cfe n ASN 113 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1cfe n ASN 114 N 0.00 0.45 -0.01 0.53 6.94 -1.26 -1.65 115.26 120.26 1cfe n ASN 114 Ca 0.00 0.55 0.15 0.00 -0.02 0.00 0.00 54.58 55.26 1cfe n ASN 114 Cb 0.00 -0.67 0.77 0.00 -2.36 0.00 0.00 39.78 37.52 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 1.13 -1.23 7.00 4.83 0.00 -1.26 -5.01 105.19 110.65 1cfe n GLY 115 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.23 0.00 -2.70 1.61 8.01 -0.66 -2.24 117.44 120.23 1cfe n TRP 116 Ca 0.15 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.92 1cfe n TRP 116 Cb 0.23 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.50 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 2.56 0.15 -5.99 0.52 -1.26 -0.32 118.94 114.61 1cfe s TRP 117 Ca 0.00 -0.06 -0.26 0.00 0.02 0.00 0.00 56.10 55.80 1cfe s TRP 117 Cb 0.00 -4.39 -0.08 0.00 -1.15 0.00 0.00 33.47 27.85 1cfe s TRP 117 CO 0.00 -1.70 0.80 0.12 0.02 0.00 0.00 176.95 176.19 1cfe s PHE 118 N 4.76 3.88 -0.04 -1.98 2.19 0.66 -1.46 117.98 125.99 1cfe s PHE 118 Ca 0.33 1.65 0.03 0.00 0.33 0.00 0.00 56.93 59.27 1cfe s PHE 118 Cb -0.11 -2.82 0.00 0.00 -1.31 0.00 0.00 43.02 38.78 1cfe s PHE 118 CO 0.17 0.45 -0.14 0.42 1.83 0.00 0.00 175.22 177.95 1cfe s ILE 119 N -0.89 1.16 -0.08 3.12 1.01 0.31 -0.56 121.20 125.27 1cfe s ILE 119 Ca 0.37 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1cfe s ILE 119 Cb -0.23 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1cfe s ILE 119 CO 0.26 0.35 -0.18 -0.44 0.00 0.00 0.00 174.94 174.93 1cfe s SER 120 N 0.15 2.45 -0.26 3.58 0.01 -0.69 -0.68 113.70 118.27 1cfe s SER 120 Ca -0.04 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 1cfe s SER 120 Cb -0.11 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1cfe s SER 120 CO 0.02 0.10 0.11 0.00 0.41 0.00 0.00 173.24 173.87 1cfe s ASN 122 N 1.66 6.47 0.05 0.00 3.84 0.08 -2.01 114.94 125.03 1cfe s ASN 122 Ca 0.07 0.57 0.02 0.00 0.21 0.00 0.00 52.86 53.73 1cfe s ASN 122 Cb -0.15 -2.08 -0.03 0.00 -0.55 0.00 0.00 41.25 38.44 1cfe s ASN 122 CO 0.06 0.02 -0.08 -0.31 -2.79 0.00 0.00 177.10 174.01 1cfe s TYR 123 N -1.72 0.73 -0.04 0.43 1.51 -1.26 -1.55 117.35 115.45 1cfe s TYR 123 Ca 0.41 -0.59 -0.11 0.00 -1.01 0.00 0.00 57.07 55.77 1cfe s TYR 123 Cb -0.12 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 1cfe s TYR 123 CO 0.26 -0.09 0.25 0.34 -1.11 0.00 0.00 175.55 175.19 1cfe s ASP 124 N -1.90 -0.18 1.05 2.29 -1.08 -0.94 -4.33 116.67 111.59 1cfe s ASP 124 Ca -0.05 0.20 -0.12 0.00 -0.52 0.00 0.00 52.55 52.05 1cfe s ASP 124 Cb -0.07 0.38 0.19 0.00 -1.46 0.00 0.00 42.92 41.97 1cfe s ASP 124 CO -0.01 -0.29 0.90 -0.81 0.52 0.00 0.00 175.17 175.49 1cfe n PRO 125 N 1.98 -1.39 -1.61 4.34 -0.04 -1.26 -0.93 135.00 136.08 1cfe n PRO 125 Ca -0.18 -0.36 -0.47 0.00 -0.04 0.00 0.00 63.50 62.44 1cfe n PRO 125 Cb 0.57 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 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 -4.51 0.83 -4.52 0.52 0.24 -1.26 -4.30 118.33 105.33 1cfe n VAL 126 Ca 0.07 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.34 61.87 1cfe n VAL 126 Cb 0.54 -1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 31.75 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 0.15 2.65 -0.62 7.63 0.00 -1.26 -4.56 107.32 111.31 1cfe s GLY 127 Ca 0.72 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1cfe s GLY 127 CO 0.51 -2.09 0.00 0.70 0.00 0.00 0.00 173.10 172.22 1cfe n ASN 128 N -1.19 -2.65 -4.89 1.64 3.02 -1.26 -2.38 115.26 107.54 1cfe n ASN 128 Ca -0.09 0.32 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 1cfe n ASN 128 Cb 0.66 -2.33 -0.05 0.00 -0.61 0.00 0.00 39.78 37.45 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 -2.32 3.54 1.06 3.10 -0.11 -1.26 -4.84 118.94 118.11 1cfe s TRP 129 Ca 0.00 0.57 -0.15 0.00 1.22 0.00 0.00 56.10 57.74 1cfe s TRP 129 Cb 0.00 -2.00 0.22 0.00 -1.50 0.00 0.00 33.47 30.19 1cfe s TRP 129 CO 0.00 0.54 1.12 0.42 -4.62 0.00 0.00 176.95 174.41 1cfe s ILE 130 N -1.45 1.86 0.00 5.86 1.09 -1.26 -3.88 121.20 123.41 1cfe s ILE 130 Ca 0.33 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.88 1cfe s ILE 130 Cb -0.13 -2.56 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 1cfe s ILE 130 CO 0.20 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 1cfe n GLY 131 N -1.36 1.67 3.89 6.18 0.00 -1.26 -4.94 105.19 109.37 1cfe n GLY 131 Ca 0.09 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 3.30 0.07 1.61 -0.21 -1.25 -5.08 119.66 118.10 1cfe s GLN 132 Ca 0.00 0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.74 1cfe s GLN 132 Cb 0.00 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 1cfe s GLN 132 CO 0.00 -0.56 0.22 1.03 -2.12 0.00 0.00 175.29 173.85 1cfe s ARG 133 N -5.03 3.44 -0.01 2.91 1.81 -1.26 -4.88 118.95 115.93 1cfe s ARG 133 Ca 0.53 -0.45 -0.25 0.00 -1.72 0.00 0.00 55.73 53.84 1cfe s ARG 133 Cb -0.11 -3.03 -0.19 0.00 -0.45 0.00 0.00 34.95 31.17 1cfe s ARG 133 CO 0.49 0.60 1.26 -1.00 -0.68 0.00 0.00 175.30 175.97 1cfe h PRO 134 N 3.01 -0.09 0.00 3.54 0.13 -1.91 -3.40 132.00 133.27 1cfe h PRO 134 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1cfe h PRO 134 Cb 1.16 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cfe h PRO 134 CO 0.75 0.32 0.00 2.48 -0.23 0.00 0.00 178.00 181.32