#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe n ASN 2 N 0.00 1.68 -3.89 1.69 3.02 -1.26 -1.63 115.26 114.87 1cfe n ASN 2 Ca 0.00 -3.08 -0.09 0.00 -0.03 0.00 0.00 54.58 51.39 1cfe n ASN 2 Cb 0.00 -0.63 -0.07 0.00 -0.61 0.00 0.00 39.78 38.47 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1cfe s SER 3 N -2.14 0.15 0.17 6.41 0.01 -1.26 -5.03 113.70 112.00 1cfe s SER 3 Ca 0.40 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.77 1cfe s SER 3 Cb 0.24 0.34 0.11 0.00 0.21 0.00 0.00 66.02 66.91 1cfe s SER 3 CO -0.09 -0.74 1.66 1.55 0.41 0.00 0.00 173.24 176.04 1cfe h PRO 4 N 2.76 -0.01 0.00 12.44 0.13 -1.99 -0.39 132.00 144.94 1cfe h PRO 4 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1cfe h PRO 4 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1cfe h PRO 4 CO 0.56 -0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.37 1cfe n GLN 5 N -5.32 0.19 0.21 0.86 3.00 -1.26 -0.87 117.38 114.19 1cfe n GLN 5 Ca 0.03 0.13 -0.09 0.00 -0.01 0.00 0.00 57.00 57.06 1cfe n GLN 5 Cb 0.23 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.93 1cfe n GLN 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1cfe h ASP 6 N 0.00 -0.48 0.28 1.08 3.32 -1.41 -0.49 116.42 118.72 1cfe h ASP 6 Ca 0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1cfe h ASP 6 Cb 0.06 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1cfe h ASP 6 CO 0.00 -0.19 -0.42 1.88 -1.72 0.00 0.00 179.24 178.79 1cfe h TYR 7 N -0.88 -1.16 -0.83 4.55 -1.99 -1.46 -1.13 116.97 114.07 1cfe h TYR 7 Ca -0.06 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 1cfe h TYR 7 Cb 0.44 0.47 -0.04 0.00 2.00 0.00 0.00 36.73 39.60 1cfe h TYR 7 CO 0.04 -0.55 0.51 -0.07 -0.00 0.00 0.00 178.16 178.09 1cfe h LEU 8 N -0.76 0.99 0.48 3.88 3.38 -1.15 0.49 115.31 122.63 1cfe h LEU 8 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1cfe h LEU 8 Cb 0.72 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1cfe h LEU 8 CO -0.15 0.76 -0.28 0.00 0.09 0.00 0.00 178.44 178.86 1cfe h ALA 9 N 1.41 -1.13 -0.88 1.53 0.00 -0.72 0.43 119.26 119.90 1cfe h ALA 9 Ca 0.30 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 9 Cb -0.06 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1cfe h ALA 9 CO -0.06 -1.10 0.55 0.28 0.00 0.00 0.00 179.25 178.93 1cfe h VAL 10 N -0.70 1.05 0.35 0.00 2.07 -0.88 0.23 116.25 118.37 1cfe h VAL 10 Ca -0.06 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1cfe h VAL 10 Cb 0.56 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1cfe h VAL 10 CO 0.07 0.18 -0.17 0.45 0.02 0.00 0.00 177.57 178.13 1cfe h HIS 11 N 1.01 -0.43 -0.83 1.57 -0.00 -0.92 -0.47 115.15 115.08 1cfe h HIS 11 Ca 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 1cfe h HIS 11 Cb 0.16 0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 1cfe h HIS 11 CO -0.03 -0.26 0.53 -0.91 -0.00 0.00 0.00 177.93 177.26 1cfe h ASN 12 N -0.48 0.97 0.23 2.45 2.35 0.11 0.11 115.58 121.31 1cfe h ASN 12 Ca -0.05 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1cfe h ASN 12 Cb 0.37 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1cfe h ASN 12 CO 0.08 0.72 -0.38 -0.78 -1.65 0.00 0.00 177.43 175.42 1cfe h ASP 13 N 1.13 -1.07 -0.10 5.81 3.58 -0.38 0.37 116.42 125.76 1cfe h ASP 13 Ca 0.30 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.86 1cfe h ASP 13 Cb -0.10 0.39 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1cfe h ASP 13 CO -0.06 -0.49 0.05 0.00 -2.88 0.00 0.00 179.24 175.87 1cfe h ALA 14 N -0.19 0.12 -0.78 -0.78 0.00 -0.54 -0.84 119.26 116.25 1cfe h ALA 14 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1cfe h ALA 14 Cb 0.66 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1cfe h ALA 14 CO -0.15 -0.35 0.51 0.00 0.00 0.00 0.00 179.25 179.26 1cfe h ARG 15 N 0.07 0.74 0.00 0.00 3.08 -0.69 0.38 114.38 117.97 1cfe h ARG 15 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1cfe h ARG 15 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1cfe h ARG 15 CO -0.01 0.49 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 1cfe h ALA 16 N 1.59 1.00 -0.12 0.04 0.00 0.51 0.42 119.26 122.71 1cfe h ALA 16 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1cfe h ALA 16 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1cfe h ALA 16 CO -0.13 0.00 -0.44 1.96 0.00 0.00 0.00 179.25 180.64 1cfe h GLN 17 N 0.00 0.51 -0.01 0.00 4.20 0.47 -3.32 115.11 116.97 1cfe h GLN 17 Ca 0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1cfe h GLN 17 Cb 0.55 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1cfe h GLN 17 CO 0.00 1.01 -0.37 1.33 -0.67 0.00 0.00 178.83 180.13 1cfe n VAL 18 N -4.28 0.00 -2.68 -0.54 0.24 -1.00 -4.96 118.33 105.11 1cfe n VAL 18 Ca -0.07 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.34 62.00 1cfe n VAL 18 Cb 0.56 0.62 0.04 0.00 -1.47 0.00 0.00 33.84 33.60 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 1.38 0.01 3.86 7.63 0.00 0.12 -5.06 105.19 113.14 1cfe n GLY 19 Ca 0.10 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.18 3.39 0.68 1.61 1.01 0.18 -5.01 120.40 119.08 1cfe s VAL 20 Ca 0.03 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 1cfe s VAL 20 Cb -0.00 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1cfe s VAL 20 CO 0.37 -0.14 1.25 -0.83 0.00 0.00 0.00 175.10 175.75 1cfe s GLY 21 N -4.03 2.63 0.00 4.51 0.00 -1.26 -4.55 107.32 104.62 1cfe s GLY 21 Ca 0.42 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.21 1cfe s GLY 21 CO 0.27 1.48 0.00 -1.55 0.00 0.00 0.00 173.10 173.30 1cfe n PRO 22 N -2.26 0.24 -4.07 2.90 -0.04 -1.26 -4.90 135.00 125.61 1cfe n PRO 22 Ca 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1cfe n PRO 22 Cb 0.49 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.60 1.07 0.38 0.54 0.23 -1.26 -4.75 119.30 112.91 1cfe s MET 23 Ca 0.00 -1.34 0.08 0.00 -1.03 0.00 0.00 55.69 53.40 1cfe s MET 23 Cb 0.00 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.56 1cfe s MET 23 CO 0.00 -0.36 0.13 -1.54 -2.03 0.00 0.00 175.02 171.22 1cfe s SER 24 N -3.02 4.42 0.25 -1.18 1.04 -0.28 -4.99 113.70 109.94 1cfe s SER 24 Ca 0.22 -0.98 -0.24 0.00 0.48 0.00 0.00 55.95 55.43 1cfe s SER 24 Cb 0.05 -0.55 -0.09 0.00 0.10 0.00 0.00 66.02 65.53 1cfe s SER 24 CO 0.02 -0.41 0.84 0.86 0.98 0.00 0.00 173.24 175.53 1cfe s TRP 25 N -2.54 3.75 -0.95 5.02 -0.00 -1.26 -1.14 118.94 121.82 1cfe s TRP 25 Ca 0.39 1.64 0.09 0.00 -0.00 0.00 0.00 56.10 58.21 1cfe s TRP 25 Cb 0.01 -2.80 0.17 0.00 -0.00 0.00 0.00 33.47 30.86 1cfe s TRP 25 CO 0.22 0.34 1.02 -3.47 -0.00 0.00 0.00 176.95 175.06 1cfe n ASP 26 N 0.91 2.32 0.00 5.86 2.03 -1.20 -4.88 116.55 121.59 1cfe n ASP 26 Ca -0.01 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1cfe n ASP 26 Cb 0.50 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1cfe n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfe n ALA 27 N 0.43 0.00 -0.24 -1.67 0.00 -1.26 -4.46 120.51 113.30 1cfe n ALA 27 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 1cfe n ALA 27 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.82 1cfe n ALA 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1cfe h ASN 28 N 0.00 0.96 -0.48 0.00 2.35 -1.95 0.17 115.58 116.63 1cfe h ASN 28 Ca 0.00 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1cfe h ASN 28 Cb 0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1cfe h ASN 28 CO 0.00 0.89 0.30 -0.07 -1.65 0.00 0.00 177.43 176.91 1cfe h LEU 29 N 0.98 0.58 -0.13 1.61 3.38 -1.88 0.82 115.31 120.67 1cfe h LEU 29 Ca 0.22 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1cfe h LEU 29 Cb 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1cfe h LEU 29 CO -0.01 0.44 -0.16 0.00 0.09 0.00 0.00 178.44 178.80 1cfe h ALA 30 N 1.66 0.20 -0.11 1.53 0.00 -1.32 0.66 119.26 121.87 1cfe h ALA 30 Ca 0.18 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cfe h ALA 30 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1cfe h ALA 30 CO -0.04 0.10 0.01 0.66 0.00 0.00 0.00 179.25 179.98 1cfe h SER 31 N -0.04 -0.02 0.19 0.00 4.64 -0.71 -0.06 113.55 117.55 1cfe h SER 31 Ca 0.02 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1cfe h SER 31 Cb 0.70 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 1cfe h SER 31 CO 0.04 0.01 -0.38 -0.09 -0.87 0.00 0.00 176.83 175.54 1cfe h ARG 32 N 0.05 -0.63 -0.59 4.77 2.43 -0.83 0.29 114.38 119.87 1cfe h ARG 32 Ca 0.05 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1cfe h ARG 32 Cb 0.05 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1cfe h ARG 32 CO -0.08 -0.42 0.22 0.00 -1.51 0.00 0.00 179.97 178.18 1cfe h ALA 33 N -0.14 0.75 0.54 2.80 0.00 -0.59 0.13 119.26 122.75 1cfe h ALA 33 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1cfe h ALA 33 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1cfe h ALA 33 CO -0.18 -0.19 -0.28 0.37 0.00 0.00 0.00 179.25 178.98 1cfe h GLN 34 N 0.41 -0.72 -0.28 0.00 5.75 -0.66 -0.53 115.11 119.07 1cfe h GLN 34 Ca 0.29 0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.90 1cfe h GLN 34 Cb 0.34 0.16 -0.08 0.00 1.07 0.00 0.00 27.48 28.98 1cfe h GLN 34 CO -0.29 -0.48 -0.35 -0.91 -2.65 0.00 0.00 178.83 174.15 1cfe h ASN 35 N -0.75 -1.13 -0.10 -0.69 2.35 -0.46 0.10 115.58 114.91 1cfe h ASN 35 Ca -0.07 0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1cfe h ASN 35 Cb 0.59 0.50 -0.05 0.00 0.05 0.00 0.00 38.32 39.40 1cfe h ASN 35 CO 0.11 -0.35 -0.24 0.22 -1.65 0.00 0.00 177.43 175.51 1cfe h TYR 36 N -0.34 -0.64 0.29 1.19 3.20 -0.68 0.61 116.97 120.60 1cfe h TYR 36 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1cfe h TYR 36 Cb 0.56 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1cfe h TYR 36 CO -0.50 -0.32 -0.37 0.00 -1.64 0.00 0.00 178.16 175.33 1cfe h ALA 37 N 0.61 -0.74 -0.63 1.82 0.00 -0.81 -2.98 119.26 116.53 1cfe h ALA 37 Ca 0.09 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1cfe h ALA 37 Cb 0.46 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 1cfe h ALA 37 CO -0.29 -0.96 -0.30 -0.91 0.00 0.00 0.00 179.25 176.79 1cfe h ASN 38 N -0.71 -1.04 -0.20 0.00 4.21 -0.38 -2.00 115.58 115.46 1cfe h ASN 38 Ca -0.01 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.73 1cfe h ASN 38 Cb 0.66 0.55 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1cfe h ASN 38 CO -0.11 -0.29 0.00 -1.54 -1.29 0.00 0.00 177.43 174.20 1cfe n SER 39 N -5.44 1.48 -0.01 5.81 3.41 0.17 -2.25 113.62 116.79 1cfe n SER 39 Ca 0.06 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1cfe n SER 39 Cb 0.36 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1cfe n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1cfe n ARG 40 N 0.14 2.58 -2.33 4.33 0.63 -0.76 -5.02 116.66 116.23 1cfe n ARG 40 Ca 0.07 -1.44 -0.36 0.00 -0.92 0.00 0.00 57.85 55.21 1cfe n ARG 40 Cb 0.27 -0.97 -0.03 0.00 0.45 0.00 0.00 32.46 32.19 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cfe s ALA 41 N -0.97 2.57 0.00 5.13 0.00 -0.95 -1.29 121.76 126.24 1cfe s ALA 41 Ca 0.01 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1cfe s ALA 41 Cb 0.01 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.48 1cfe s ALA 41 CO 0.00 -4.22 0.00 0.41 0.00 0.00 0.00 175.76 171.95 1cfe n GLY 42 N 5.66 0.17 0.95 0.00 0.00 -1.26 -4.39 105.19 106.31 1cfe n GLY 42 Ca 0.46 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.57 1cfe n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfe n ASP 43 N 0.00 3.16 0.15 1.61 9.92 -0.51 -3.49 116.55 127.39 1cfe n ASP 43 Ca 0.00 -1.91 0.01 0.00 -0.53 0.00 0.00 54.79 52.36 1cfe n ASP 43 Cb 0.00 -0.24 0.19 0.00 -0.64 0.00 0.00 41.12 40.43 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cfe n ASN 45 N -3.60 0.00 -2.67 0.00 2.85 -1.26 -2.37 115.26 108.21 1cfe n ASN 45 Ca -0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.38 1cfe n ASN 45 Cb 0.62 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.68 1cfe n ASN 45 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1cfe n LEU 46 N 0.00 1.16 -4.73 1.20 4.77 -1.26 -4.53 117.00 113.61 1cfe n LEU 46 Ca 0.00 -3.66 -0.41 0.00 -0.03 0.00 0.00 56.01 51.91 1cfe n LEU 46 Cb 0.00 0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1cfe n LEU 46 CO 0.00 1.57 0.55 -0.63 -1.33 0.00 0.00 177.39 177.55 1cfe s ILE 47 N -2.86 4.76 0.00 -0.08 1.01 -1.00 -5.01 121.20 118.02 1cfe s ILE 47 Ca 0.27 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.72 1cfe s ILE 47 Cb 0.45 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1cfe s ILE 47 CO 0.03 0.29 0.00 1.41 0.00 0.00 0.00 174.94 176.66 1cfe n HIS 48 N 3.23 0.00 -3.04 3.97 8.25 -1.26 -5.02 115.22 121.35 1cfe n HIS 48 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1cfe n HIS 48 Cb 0.50 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.63 1cfe n HIS 48 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1cfe n SER 49 N 0.00 -7.14 0.00 0.41 3.41 -1.26 -4.86 113.62 104.18 1cfe n SER 49 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1cfe n SER 49 Cb 0.00 -3.81 0.00 0.00 -0.26 0.00 0.00 64.21 60.14 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 0.25 0.83 2.46 5.00 0.00 -1.26 -5.04 105.19 107.43 1cfe n GLY 50 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.19 -2.79 4.61 0.00 -1.26 -4.80 120.51 116.08 1cfe n ALA 51 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1cfe n ALA 51 Cb 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 19.45 18.02 1cfe n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cfe n GLY 52 N -1.07 1.49 3.48 0.00 0.00 -1.26 -3.40 105.19 104.44 1cfe n GLY 52 Ca -0.12 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.74 0.58 0.23 1.61 2.12 -1.26 -0.08 118.70 121.17 1cfe s GLU 53 Ca 0.26 1.03 0.08 0.00 0.36 0.00 0.00 54.97 56.70 1cfe s GLU 53 Cb 0.36 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 1cfe s GLU 53 CO -0.05 -0.15 0.06 -0.80 -0.54 0.00 0.00 175.26 173.78 1cfe s ASN 54 N 1.46 4.95 0.09 -1.70 0.01 0.01 -5.00 114.94 114.75 1cfe s ASN 54 Ca -0.09 -0.44 -0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1cfe s ASN 54 Cb -0.06 -1.09 -0.03 0.00 0.41 0.00 0.00 41.25 40.48 1cfe s ASN 54 CO -0.16 0.02 0.05 -0.76 -1.51 0.00 0.00 177.10 174.74 1cfe s LEU 55 N -3.50 2.02 -0.17 0.60 1.43 -1.26 -1.26 118.68 116.53 1cfe s LEU 55 Ca 0.31 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1cfe s LEU 55 Cb -0.08 0.42 0.06 0.00 0.03 0.00 0.00 46.19 46.63 1cfe s LEU 55 CO 0.21 -0.68 0.41 0.00 0.23 0.00 0.00 176.35 176.53 1cfe s ALA 56 N -3.95 -1.07 0.83 4.21 0.00 -0.18 -5.01 121.76 116.60 1cfe s ALA 56 Ca 0.12 1.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.50 1cfe s ALA 56 Cb 0.07 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 22.32 1cfe s ALA 56 CO -0.06 -0.30 1.19 -1.59 0.00 0.00 0.00 175.76 175.00 1cfe s LYS 57 N 1.50 1.75 0.00 0.00 -2.85 -1.26 -0.76 119.74 118.12 1cfe s LYS 57 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 1cfe s LYS 57 Cb -0.09 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1cfe s LYS 57 CO -0.13 -1.72 0.00 0.41 0.10 0.00 0.00 175.35 174.02 1cfe n GLY 58 N -3.37 1.61 0.00 0.59 0.00 -0.77 -4.82 105.19 98.44 1cfe n GLY 58 Ca 0.09 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 1.42 0.00 -0.02 0.00 -1.26 -4.14 105.19 101.19 1cfe n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.42 2.38 -0.02 0.00 -1.26 -4.88 105.19 101.83 1cfe n GLY 60 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 3.17 -4.63 1.61 5.75 -1.26 -4.92 116.55 116.26 1cfe n ASP 61 Ca 0.00 -2.08 -0.43 0.00 -0.01 0.00 0.00 54.79 52.27 1cfe n ASP 61 Cb 0.00 -0.81 -0.02 0.00 -1.03 0.00 0.00 41.12 39.26 1cfe n ASP 61 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cfe s PHE 62 N 2.51 2.98 0.07 2.11 5.36 -1.26 -4.99 117.98 124.75 1cfe s PHE 62 Ca 0.34 1.05 -0.17 0.00 -0.96 0.00 0.00 56.93 57.19 1cfe s PHE 62 Cb 0.14 -3.83 -0.06 0.00 -0.34 0.00 0.00 43.02 38.92 1cfe s PHE 62 CO -0.01 -1.10 0.51 0.95 -1.46 0.00 0.00 175.22 174.11 1cfe s THR 63 N 3.94 4.86 0.30 0.12 -4.23 -1.26 -4.97 115.64 114.40 1cfe s THR 63 Ca 0.49 1.00 0.01 0.00 -1.18 0.00 0.00 61.69 62.00 1cfe s THR 63 Cb -0.13 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1cfe s THR 63 CO 0.19 0.49 1.91 1.23 -0.54 0.00 0.00 174.62 177.90 1cfe h GLY 64 N 4.36 1.32 0.60 3.99 0.00 -1.70 -2.10 103.07 109.55 1cfe h GLY 64 Ca -0.50 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 46.45 1cfe h GLY 64 CO 0.63 0.29 -0.15 -0.09 0.00 0.00 0.00 176.54 177.22 1cfe h ARG 65 N 1.01 -0.22 -0.91 4.80 9.65 -1.77 -2.03 114.38 124.90 1cfe h ARG 65 Ca 0.39 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 1cfe h ARG 65 Cb 0.23 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 1cfe h ARG 65 CO -0.15 -0.15 0.58 0.00 2.80 0.00 0.00 179.97 183.05 1cfe h ALA 66 N 0.73 1.16 -0.26 2.80 0.00 -1.78 -1.32 119.26 120.59 1cfe h ALA 66 Ca 0.06 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cfe h ALA 66 Cb 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1cfe h ALA 66 CO -0.16 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.72 1cfe h ALA 67 N 1.32 0.27 -0.19 0.00 0.00 -0.94 0.20 119.26 119.91 1cfe h ALA 67 Ca 0.33 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1cfe h ALA 67 Cb -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cfe h ALA 67 CO -0.07 -0.37 -0.01 0.28 0.00 0.00 0.00 179.25 179.09 1cfe h VAL 68 N 0.15 0.86 -0.59 0.00 2.07 -0.91 -2.31 116.25 115.51 1cfe h VAL 68 Ca 0.12 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.73 1cfe h VAL 68 Cb 0.13 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1cfe h VAL 68 CO -0.16 0.01 0.40 1.56 0.02 0.00 0.00 177.57 179.40 1cfe h GLN 69 N 0.05 0.35 -0.49 1.57 4.20 -0.49 0.26 115.11 120.56 1cfe h GLN 69 Ca 0.09 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1cfe h GLN 69 Cb 0.11 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1cfe h GLN 69 CO -0.16 0.23 0.27 1.25 -0.67 0.00 0.00 178.83 179.75 1cfe h LEU 70 N 0.36 0.41 -0.60 1.46 5.85 -0.06 0.45 115.31 123.18 1cfe h LEU 70 Ca 0.28 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 1cfe h LEU 70 Cb 0.61 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1cfe h LEU 70 CO -0.07 0.29 -0.12 -0.50 -0.34 0.00 0.00 178.44 177.69 1cfe h TRP 71 N 0.53 1.09 -0.36 1.25 6.55 -0.41 -1.80 115.95 122.81 1cfe h TRP 71 Ca 0.20 -0.23 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 1cfe h TRP 71 Cb 0.07 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.08 1cfe h TRP 71 CO -0.08 1.03 0.12 0.28 -1.05 0.00 0.00 178.44 178.74 1cfe h VAL 72 N 0.87 1.15 0.00 1.49 2.07 -0.54 -1.63 116.25 119.65 1cfe h VAL 72 Ca 0.13 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1cfe h VAL 72 Cb 0.68 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1cfe h VAL 72 CO 0.05 0.18 0.00 -1.20 0.02 0.00 0.00 177.57 176.62 1cfe n SER 73 N -4.38 0.00 0.00 0.57 7.64 0.11 -0.52 113.62 117.03 1cfe n SER 73 Ca 0.02 -0.11 0.04 0.00 1.01 0.00 0.00 58.87 59.83 1cfe n SER 73 Cb 0.15 -0.01 0.24 0.00 -1.01 0.00 0.00 64.21 63.59 1cfe n SER 73 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cfe n GLU 74 N -1.01 0.48 -0.32 1.43 -0.58 -0.61 -4.45 120.64 115.58 1cfe n GLU 74 Ca 0.03 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.87 1cfe n GLU 74 Cb 0.01 -1.27 0.21 0.00 -0.57 0.00 0.00 31.44 29.82 1cfe n GLU 74 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1cfe n ARG 75 N -0.77 -0.08 0.00 3.49 0.63 0.32 -0.18 116.66 120.07 1cfe n ARG 75 Ca 0.06 1.39 0.06 0.00 -0.92 0.00 0.00 57.85 58.44 1cfe n ARG 75 Cb 0.03 -2.15 0.36 0.00 0.45 0.00 0.00 32.46 31.14 1cfe n ARG 75 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1cfe n PRO 76 N -5.40 0.42 -0.03 -0.14 -0.04 -1.26 -0.58 135.00 127.95 1cfe n PRO 76 Ca 0.19 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1cfe n PRO 76 Cb 0.60 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.95 2.07 -4.61 3.54 3.41 0.75 -4.92 113.62 112.92 1cfe n SER 77 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 1cfe n SER 77 Cb 0.04 1.15 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 1cfe n SER 77 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1cfe s TYR 78 N -2.56 3.07 -0.15 7.33 5.04 0.25 -0.83 117.35 129.50 1cfe s TYR 78 Ca -0.05 0.83 -0.19 0.00 -2.44 0.00 0.00 57.07 55.22 1cfe s TYR 78 Cb 0.06 -3.72 0.05 0.00 0.35 0.00 0.00 41.96 38.70 1cfe s TYR 78 CO 0.51 -0.85 0.51 1.21 -1.34 0.00 0.00 175.55 175.58 1cfe s ASN 79 N 1.89 -0.51 0.00 4.32 3.84 -1.26 -4.83 114.94 118.40 1cfe s ASN 79 Ca 0.40 0.87 0.00 0.00 0.21 0.00 0.00 52.86 54.34 1cfe s ASN 79 Cb -0.12 0.89 0.00 0.00 -0.55 0.00 0.00 41.25 41.47 1cfe s ASN 79 CO 0.19 -0.27 0.00 0.00 -2.79 0.00 0.00 177.10 174.23 1cfe n TYR 80 N 2.35 0.00 0.00 0.43 9.36 -1.26 -3.77 117.16 124.26 1cfe n TYR 80 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 1cfe n TYR 80 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cfe n ALA 81 N -3.00 0.00 -2.38 2.98 0.00 -1.26 -3.69 120.51 113.16 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 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 1.01 -3.86 0.00 -2.24 -1.26 -5.04 114.28 102.90 1cfe n THR 82 Ca 0.00 -2.27 -0.30 0.00 -2.27 0.00 0.00 64.05 59.21 1cfe n THR 82 Cb 0.00 0.63 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1cfe n THR 82 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cfe n ASN 83 N -0.22 -2.65 0.00 3.42 2.85 -1.24 -4.91 115.26 112.52 1cfe n ASN 83 Ca 0.13 -1.04 0.00 0.00 -0.11 0.00 0.00 54.58 53.56 1cfe n ASN 83 Cb 0.95 -3.06 0.00 0.00 1.24 0.00 0.00 39.78 38.92 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cfe n GLN 84 N -4.37 0.00 -3.69 1.20 10.64 -1.25 -4.95 117.38 114.96 1cfe n GLN 84 Ca -0.21 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.69 1cfe n GLN 84 Cb 0.64 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.91 1cfe n GLN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cfe n VAL 86 N 1.95 -0.81 -0.21 0.00 0.31 -0.01 -1.47 118.33 118.10 1cfe n VAL 86 Ca 0.24 0.84 0.11 0.00 -0.01 0.00 0.00 64.34 65.51 1cfe n VAL 86 Cb 0.39 -1.27 0.20 0.00 -0.91 0.00 0.00 33.84 32.25 1cfe n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cfe n GLY 87 N -4.22 -0.78 2.70 2.92 0.00 -1.26 -3.21 105.19 101.33 1cfe n GLY 87 Ca -0.08 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.29 1.91 2.16 -0.02 0.00 -1.26 -5.12 105.19 101.58 1cfe n GLY 88 Ca 0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.27 0.15 -3.67 1.61 5.02 -0.54 -5.11 118.16 114.35 1cfe n LYS 89 Ca -0.12 -1.49 -0.10 0.00 -2.02 0.00 0.00 58.31 54.58 1cfe n LYS 89 Cb 0.86 -0.40 -0.10 0.00 -0.02 0.00 0.00 35.03 35.37 1cfe n LYS 89 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1cfe s LYS 90 N -3.95 0.31 -0.22 1.97 2.20 -1.24 -4.49 119.74 114.32 1cfe s LYS 90 Ca 0.37 0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 56.74 1cfe s LYS 90 Cb -0.02 0.20 -0.14 0.00 -1.51 0.00 0.00 37.83 36.35 1cfe s LYS 90 CO 0.25 -0.23 -0.04 0.00 -0.36 0.00 0.00 175.35 174.96 1cfe n ARG 92 N -4.40 0.00 -0.02 0.00 3.00 -1.26 -4.29 116.66 109.69 1cfe n ARG 92 Ca -0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.37 1cfe n ARG 92 Cb 0.69 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 33.04 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 -0.03 -0.83 -0.14 3.86 -1.93 -3.30 115.15 112.79 1cfe h HIS 93 Ca 0.00 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 1cfe h HIS 93 Cb 0.00 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 1cfe h HIS 93 CO 0.00 0.61 0.49 -0.92 0.86 0.00 0.00 177.93 178.97 1cfe h TYR 94 N -0.71 0.90 -0.75 2.45 3.20 -1.75 -1.00 116.97 119.31 1cfe h TYR 94 Ca -0.00 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.04 1cfe h TYR 94 Cb 0.65 -0.28 -0.10 0.00 1.54 0.00 0.00 36.73 38.54 1cfe h TYR 94 CO 0.15 0.41 0.28 1.79 -1.64 0.00 0.00 178.16 179.16 1cfe h THR 95 N 0.86 0.63 -0.07 1.81 1.35 -1.89 0.62 112.91 116.23 1cfe h THR 95 Ca 0.38 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.97 1cfe h THR 95 Cb 0.27 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1cfe h THR 95 CO -0.21 0.08 -0.54 -0.61 -0.25 0.00 0.00 175.52 173.98 1cfe h GLN 96 N 0.41 0.21 -0.32 4.72 5.75 -1.28 0.26 115.11 124.86 1cfe h GLN 96 Ca 0.42 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.83 1cfe h GLN 96 Cb 0.65 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 1cfe h GLN 96 CO -0.42 0.70 0.11 0.28 -2.65 0.00 0.00 178.83 176.85 1cfe h VAL 97 N 0.16 0.91 0.00 2.39 2.07 -0.37 -3.20 116.25 118.21 1cfe h VAL 97 Ca 0.00 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1cfe h VAL 97 Cb 1.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1cfe h VAL 97 CO 0.08 0.05 -1.00 1.62 0.02 0.00 0.00 177.57 178.34 1cfe h VAL 98 N 0.25 1.05 0.00 2.57 3.04 -0.83 -3.46 116.25 118.87 1cfe h VAL 98 Ca 0.14 -2.61 -0.46 0.00 -1.01 0.00 0.00 66.70 62.76 1cfe h VAL 98 Cb 0.11 2.47 -0.04 0.00 -2.01 0.00 0.00 31.29 31.82 1cfe h VAL 98 CO -0.15 0.60 1.08 1.87 -1.01 0.00 0.00 177.57 179.97 1cfe n TRP 99 N -3.17 0.63 -0.28 3.17 -0.00 0.90 -4.79 117.44 113.90 1cfe n TRP 99 Ca -0.03 0.42 0.08 0.00 -0.00 0.00 0.00 57.50 57.97 1cfe n TRP 99 Cb 0.86 -1.66 0.21 0.00 -0.00 0.00 0.00 31.31 30.71 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 7.40 0.13 0.00 5.87 1.12 -0.84 -0.88 114.38 127.18 1cfe h ARG 100 Ca -0.06 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 1cfe h ARG 100 Cb 0.98 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.90 1cfe h ARG 100 CO 0.88 0.09 -0.23 -0.97 -3.11 0.00 0.00 179.97 176.62 1cfe h ASN 101 N 0.14 0.00 -3.45 -3.80 -0.00 -1.85 -3.44 115.58 103.17 1cfe h ASN 101 Ca 0.47 0.00 -0.54 0.00 -0.00 0.00 0.00 56.30 56.23 1cfe h ASN 101 Cb 0.88 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.17 1cfe h ASN 101 CO -0.68 0.23 0.21 -0.44 -0.00 0.00 0.00 177.43 176.75 1cfe s SER 102 N -6.34 7.27 0.00 1.15 0.01 -0.34 -4.35 113.70 111.11 1cfe s SER 102 Ca -0.02 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.77 1cfe s SER 102 Cb 0.12 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1cfe s SER 102 CO 0.64 -0.03 0.00 1.33 0.41 0.00 0.00 173.24 175.59 1cfe n VAL 103 N 2.94 0.00 -4.56 3.43 0.24 -0.60 -4.82 118.33 114.96 1cfe n VAL 103 Ca -0.01 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.34 61.79 1cfe n VAL 103 Cb 0.50 0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.85 2.69 0.04 7.34 0.52 0.08 -1.12 118.95 127.65 1cfe s ARG 104 Ca 0.00 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1cfe s ARG 104 Cb 0.00 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 1cfe s ARG 104 CO 0.00 0.65 -0.10 -1.17 0.02 0.00 0.00 175.30 174.69 1cfe s LEU 105 N -1.02 2.21 -0.26 2.53 0.20 -0.29 -1.58 118.68 120.47 1cfe s LEU 105 Ca 0.14 -0.48 -0.20 0.00 0.69 0.00 0.00 54.13 54.28 1cfe s LEU 105 Cb -0.11 -0.34 0.07 0.00 -0.43 0.00 0.00 46.19 45.38 1cfe s LEU 105 CO 0.04 -0.09 0.66 -0.83 -0.29 0.00 0.00 176.35 175.83 1cfe s GLY 106 N -1.33 -0.54 0.19 7.98 0.00 0.08 -3.21 107.32 110.49 1cfe s GLY 106 Ca -0.04 2.05 0.08 0.00 0.00 0.00 0.00 44.72 46.81 1cfe s GLY 106 CO 0.01 1.90 -0.15 0.00 0.00 0.00 0.00 173.10 174.86 1cfe n GLY 108 N -0.21 3.48 2.93 0.00 0.00 -0.20 -4.49 105.19 106.70 1cfe n GLY 108 Ca -0.09 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.53 1cfe n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cfe s ARG 109 N -3.59 0.19 -0.01 1.61 3.52 -1.26 -3.67 118.95 115.75 1cfe s ARG 109 Ca 0.08 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.27 1cfe s ARG 109 Cb 0.00 -0.43 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 1cfe s ARG 109 CO 0.06 -0.44 -0.06 0.00 -0.81 0.00 0.00 175.30 174.04 1cfe s ALA 110 N 2.42 0.57 -0.68 6.12 0.00 -0.22 -4.99 121.76 124.98 1cfe s ALA 110 Ca 0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 1cfe s ALA 110 Cb -0.14 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.84 1cfe s ALA 110 CO -0.11 0.11 1.10 0.50 0.00 0.00 0.00 175.76 177.36 1cfe s ARG 111 N 0.04 3.17 0.51 0.00 3.52 -1.26 -0.63 118.95 124.31 1cfe s ARG 111 Ca -0.00 -0.51 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1cfe s ARG 111 Cb -0.05 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 1cfe s ARG 111 CO -0.00 -1.92 0.82 0.00 -0.81 0.00 0.00 175.30 173.39 1cfe h ASN 113 N 0.11 -0.18 0.15 0.00 -0.73 -1.77 -0.37 115.58 112.80 1cfe h ASN 113 Ca -0.46 -0.22 -0.36 0.00 1.87 0.00 0.00 56.30 57.13 1cfe h ASN 113 Cb 1.22 0.05 -0.04 0.00 0.27 0.00 0.00 38.32 39.81 1cfe h ASN 113 CO 0.61 0.13 -2.08 -0.46 -0.37 0.00 0.00 177.43 175.27 1cfe n ASN 114 N -5.05 1.77 0.11 1.15 6.94 -1.23 -4.04 115.26 114.90 1cfe n ASN 114 Ca -0.09 0.15 0.10 0.00 -0.02 0.00 0.00 54.58 54.73 1cfe n ASN 114 Cb 0.21 -0.52 0.45 0.00 -2.36 0.00 0.00 39.78 37.55 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 1.97 -1.09 7.00 4.83 0.00 -1.25 -4.80 105.19 111.84 1cfe n GLY 115 Ca -0.33 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 0.00 -2.67 1.61 8.01 -0.15 -1.96 117.44 120.20 1cfe n TRP 116 Ca 0.01 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.79 1cfe n TRP 116 Cb 0.16 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.43 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 2.60 -0.51 -5.99 0.52 -1.26 -0.09 118.94 114.21 1cfe s TRP 117 Ca 0.00 -0.69 -0.26 0.00 0.02 0.00 0.00 56.10 55.17 1cfe s TRP 117 Cb 0.00 -4.54 0.03 0.00 -1.15 0.00 0.00 33.47 27.82 1cfe s TRP 117 CO 0.00 -1.85 1.01 0.12 0.02 0.00 0.00 176.95 176.25 1cfe s PHE 118 N 4.60 2.81 -0.46 -1.98 5.36 0.19 -1.84 117.98 126.66 1cfe s PHE 118 Ca 0.37 0.31 -0.22 0.00 -0.96 0.00 0.00 56.93 56.43 1cfe s PHE 118 Cb -0.06 -4.17 0.03 0.00 -0.34 0.00 0.00 43.02 38.48 1cfe s PHE 118 CO -0.00 -1.29 0.72 0.42 -1.46 0.00 0.00 175.22 173.61 1cfe s ILE 119 N 4.13 4.73 0.11 3.12 1.09 0.06 -1.05 121.20 133.39 1cfe s ILE 119 Ca 0.38 0.20 -0.21 0.00 -1.10 0.00 0.00 60.65 59.92 1cfe s ILE 119 Cb -0.10 -4.28 -0.07 0.00 -1.06 0.00 0.00 42.46 36.95 1cfe s ILE 119 CO 0.25 -0.70 0.64 -0.94 -0.10 0.00 0.00 174.94 174.09 1cfe s SER 120 N 2.16 7.17 -0.27 3.58 1.04 -1.24 -1.01 113.70 125.13 1cfe s SER 120 Ca 0.25 1.39 -0.02 0.00 0.48 0.00 0.00 55.95 58.05 1cfe s SER 120 Cb -0.14 -2.41 0.11 0.00 0.10 0.00 0.00 66.02 63.69 1cfe s SER 120 CO 0.20 0.25 0.22 0.00 0.98 0.00 0.00 173.24 174.89 1cfe s ASN 122 N 2.26 6.10 0.03 0.00 3.84 0.21 -0.81 114.94 126.57 1cfe s ASN 122 Ca 0.08 0.11 0.01 0.00 0.21 0.00 0.00 52.86 53.28 1cfe s ASN 122 Cb -0.15 -1.79 -0.02 0.00 -0.55 0.00 0.00 41.25 38.75 1cfe s ASN 122 CO -0.29 0.09 -0.05 -0.31 -2.79 0.00 0.00 177.10 173.75 1cfe s TYR 123 N -1.66 0.42 0.02 0.43 1.51 0.89 -0.74 117.35 118.22 1cfe s TYR 123 Ca 0.33 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1cfe s TYR 123 Cb -0.11 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1cfe s TYR 123 CO 0.27 -0.12 0.08 0.16 -1.11 0.00 0.00 175.55 174.82 1cfe s ASP 124 N -1.32 0.15 0.96 2.29 1.47 -0.61 -4.32 116.67 115.28 1cfe s ASP 124 Ca -0.11 -0.43 -0.11 0.00 1.18 0.00 0.00 52.55 53.08 1cfe s ASP 124 Cb -0.09 0.19 0.17 0.00 -0.34 0.00 0.00 42.92 42.85 1cfe s ASP 124 CO -0.00 -0.42 1.12 -2.16 0.68 0.00 0.00 175.17 174.39 1cfe s PRO 125 N -1.98 0.68 0.98 2.11 0.04 -1.26 -0.74 135.00 134.83 1cfe s PRO 125 Ca -0.10 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 1cfe s PRO 125 Cb -0.05 -1.70 0.18 0.00 0.04 0.00 0.00 34.50 32.97 1cfe s PRO 125 CO -0.02 -2.82 1.09 0.14 0.04 0.00 0.00 177.00 175.44 1cfe s VAL 126 N -2.62 2.16 0.30 -0.36 -7.23 -1.26 -4.17 120.40 107.21 1cfe s VAL 126 Ca 0.67 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.79 1cfe s VAL 126 Cb -0.23 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1cfe s VAL 126 CO 0.59 -0.07 0.51 -0.83 -0.31 0.00 0.00 175.10 175.00 1cfe s GLY 127 N -3.46 0.84 0.00 2.32 0.00 -1.22 -4.74 107.32 101.06 1cfe s GLY 127 Ca 0.65 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1cfe s GLY 127 CO 0.57 -0.72 0.00 0.70 0.00 0.00 0.00 173.10 173.65 1cfe n ASN 128 N -0.85 -5.33 -4.85 1.64 3.02 -1.26 -4.20 115.26 103.43 1cfe n ASN 128 Ca -0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 1cfe n ASN 128 Cb 0.62 -3.14 -0.06 0.00 -0.61 0.00 0.00 39.78 36.59 1cfe n ASN 128 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1cfe s TRP 129 N -1.11 3.66 1.05 3.10 1.48 -1.26 -5.06 118.94 120.79 1cfe s TRP 129 Ca 0.00 0.79 -0.11 0.00 -1.06 0.00 0.00 56.10 55.71 1cfe s TRP 129 Cb 0.00 -2.15 0.22 0.00 -1.16 0.00 0.00 33.47 30.37 1cfe s TRP 129 CO 0.00 0.66 1.07 1.51 -4.06 0.00 0.00 176.95 176.13 1cfe n ILE 130 N 1.99 0.00 0.00 0.66 3.06 -1.26 -3.64 119.36 120.17 1cfe n ILE 130 Ca -0.16 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 1cfe n ILE 130 Cb 0.53 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.72 1cfe n ILE 130 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1cfe n GLY 131 N 0.65 2.17 3.95 4.50 0.00 -1.26 -4.99 105.19 110.21 1cfe n GLY 131 Ca 0.08 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 1.10 -0.17 1.61 -1.52 -1.24 -5.08 119.66 114.37 1cfe s GLN 132 Ca 0.00 -0.59 -0.06 0.00 -1.95 0.00 0.00 55.36 52.76 1cfe s GLN 132 Cb 0.00 -2.02 -0.03 0.00 -0.22 0.00 0.00 33.01 30.74 1cfe s GLN 132 CO 0.00 -2.02 0.02 1.03 -0.25 0.00 0.00 175.29 174.06 1cfe s ARG 133 N -5.61 3.80 0.09 2.91 0.52 -1.26 -5.02 118.95 114.37 1cfe s ARG 133 Ca 0.70 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 55.35 1cfe s ARG 133 Cb -0.05 -3.06 -0.16 0.00 0.52 0.00 0.00 34.95 32.20 1cfe s ARG 133 CO 0.50 0.28 1.30 -1.00 0.02 0.00 0.00 175.30 176.40 1cfe h PRO 134 N 6.61 0.73 0.00 3.54 0.13 -1.92 -3.30 132.00 137.78 1cfe h PRO 134 Ca -0.35 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1cfe h PRO 134 Cb 1.18 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1cfe h PRO 134 CO 0.66 1.19 0.00 2.48 -0.23 0.00 0.00 178.00 182.11