#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe s ASN 2 N 0.00 3.95 0.08 1.08 0.01 -1.26 -1.37 114.94 117.43 1cfe s ASN 2 Ca 0.00 -3.36 -0.16 0.00 -0.71 0.00 0.00 52.86 48.62 1cfe s ASN 2 Cb 0.00 -1.32 0.03 0.00 0.41 0.00 0.00 41.25 40.37 1cfe s ASN 2 CO 0.00 -0.16 0.38 -0.94 -1.51 0.00 0.00 177.10 174.88 1cfe s SER 3 N -0.68 -0.22 0.22 -1.22 1.04 -1.26 -4.96 113.70 106.62 1cfe s SER 3 Ca 0.24 -0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 1cfe s SER 3 Cb -0.10 0.43 0.34 0.00 0.10 0.00 0.00 66.02 66.79 1cfe s SER 3 CO -0.11 -0.74 1.77 1.55 0.98 0.00 0.00 173.24 176.69 1cfe h PRO 4 N 2.77 0.55 -0.89 4.02 0.13 -1.97 -1.94 132.00 134.66 1cfe h PRO 4 Ca -0.33 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1cfe h PRO 4 Cb 1.22 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1cfe h PRO 4 CO 0.46 0.36 0.58 0.37 -0.23 0.00 0.00 178.00 179.54 1cfe h GLN 5 N 0.57 1.19 0.21 0.86 4.15 -1.98 -1.55 115.11 118.56 1cfe h GLN 5 Ca 0.35 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1cfe h GLN 5 Cb 0.39 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1cfe h GLN 5 CO -0.28 0.80 -0.18 -0.44 -1.93 0.00 0.00 178.83 176.79 1cfe h ASP 6 N 1.22 -0.48 -0.01 -0.69 3.32 -1.72 0.35 116.42 118.41 1cfe h ASP 6 Ca 0.33 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.45 1cfe h ASP 6 Cb -0.12 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1cfe h ASP 6 CO -0.07 -0.28 -0.24 1.88 -1.72 0.00 0.00 179.24 178.81 1cfe h TYR 7 N -0.41 -0.65 -0.67 4.55 0.05 -1.31 -1.73 116.97 116.79 1cfe h TYR 7 Ca -0.01 0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.94 1cfe h TYR 7 Cb 0.38 0.29 -0.11 0.00 1.01 0.00 0.00 36.73 38.30 1cfe h TYR 7 CO -0.13 -0.33 0.08 -0.07 -1.05 0.00 0.00 178.16 176.65 1cfe h LEU 8 N -0.38 -0.15 0.50 3.88 3.38 -1.03 -1.09 115.31 120.43 1cfe h LEU 8 Ca 0.06 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1cfe h LEU 8 Cb 0.46 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1cfe h LEU 8 CO -0.22 -0.08 -0.38 0.00 0.09 0.00 0.00 178.44 177.84 1cfe h ALA 9 N 1.58 -0.90 -0.70 1.53 0.00 0.51 0.20 119.26 121.49 1cfe h ALA 9 Ca 0.36 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1cfe h ALA 9 Cb 0.60 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1cfe h ALA 9 CO -0.52 -1.03 0.44 0.28 0.00 0.00 0.00 179.25 178.42 1cfe h VAL 10 N -0.87 1.11 0.53 0.00 2.07 -1.00 0.89 116.25 118.99 1cfe h VAL 10 Ca -0.05 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1cfe h VAL 10 Cb 0.74 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1cfe h VAL 10 CO 0.00 0.16 -0.26 0.45 0.02 0.00 0.00 177.57 177.94 1cfe h HIS 11 N 0.87 -0.69 -0.90 1.57 -0.00 -0.87 -1.15 115.15 113.98 1cfe h HIS 11 Ca 0.28 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.71 1cfe h HIS 11 Cb -0.00 0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 27.57 1cfe h HIS 11 CO -0.04 -0.42 0.56 -0.91 -0.00 0.00 0.00 177.93 177.11 1cfe h ASN 12 N -0.73 0.85 0.16 2.45 2.35 -0.30 0.12 115.58 120.47 1cfe h ASN 12 Ca -0.07 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1cfe h ASN 12 Cb 0.56 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1cfe h ASN 12 CO 0.11 0.51 -0.40 -0.78 -1.65 0.00 0.00 177.43 175.23 1cfe h ASP 13 N 0.97 -1.15 -0.65 5.81 1.82 -0.64 0.19 116.42 122.76 1cfe h ASP 13 Ca 0.41 0.12 0.03 0.00 -0.39 0.00 0.00 57.03 57.21 1cfe h ASP 13 Cb 0.28 0.43 -0.04 0.00 0.68 0.00 0.00 39.33 40.67 1cfe h ASP 13 CO -0.21 -0.48 0.41 0.00 -1.61 0.00 0.00 179.24 177.35 1cfe h ALA 14 N -0.15 0.85 0.15 -0.78 0.00 -0.23 -0.50 119.26 118.59 1cfe h ALA 14 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1cfe h ALA 14 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cfe h ALA 14 CO -0.21 0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.14 1cfe h ARG 15 N 0.80 -0.19 -0.87 0.00 3.08 -0.67 -2.55 114.38 113.99 1cfe h ARG 15 Ca 0.26 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.50 1cfe h ARG 15 Cb 0.01 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1cfe h ARG 15 CO -0.10 -0.09 0.57 0.00 -1.07 0.00 0.00 179.97 179.28 1cfe h ALA 16 N 0.61 2.07 0.00 0.04 0.00 -0.18 0.16 119.26 121.96 1cfe h ALA 16 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cfe h ALA 16 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1cfe h ALA 16 CO 0.03 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 180.00 1cfe n GLN 17 N -4.53 0.18 -0.16 0.00 6.02 -0.23 -1.11 117.38 117.55 1cfe n GLN 17 Ca 0.18 0.44 0.08 0.00 -0.01 0.00 0.00 57.00 57.69 1cfe n GLN 17 Cb 0.59 -1.87 0.15 0.00 1.02 0.00 0.00 30.24 30.14 1cfe n GLN 17 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1cfe n VAL 18 N -2.21 1.81 -2.41 5.09 0.24 0.13 -4.99 118.33 115.98 1cfe n VAL 18 Ca 0.02 -1.91 -0.17 0.00 -2.04 0.00 0.00 64.34 60.24 1cfe n VAL 18 Cb 0.21 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 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 -0.94 -0.49 3.80 7.63 0.00 -0.11 -4.98 105.19 110.11 1cfe n GLY 19 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.85 4.45 0.73 1.61 1.01 0.33 -4.92 120.40 120.76 1cfe s VAL 20 Ca 0.00 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.31 1cfe s VAL 20 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1cfe s VAL 20 CO 0.00 0.20 1.17 -0.83 0.00 0.00 0.00 175.10 175.64 1cfe s GLY 21 N -1.62 2.19 1.14 4.51 0.00 -1.26 -3.57 107.32 108.71 1cfe s GLY 21 Ca 0.45 0.73 -0.19 0.00 0.00 0.00 0.00 44.72 45.71 1cfe s GLY 21 CO 0.22 1.12 1.19 2.56 0.00 0.00 0.00 173.10 178.19 1cfe s PRO 22 N -4.09 -0.76 0.50 2.90 0.04 -1.26 -4.88 135.00 127.45 1cfe s PRO 22 Ca 0.71 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.53 1cfe s PRO 22 Cb -0.26 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1cfe s PRO 22 CO 0.46 -3.37 0.09 0.00 0.04 0.00 0.00 177.00 174.22 1cfe s MET 23 N -5.62 2.18 0.43 4.56 0.23 -1.26 -4.93 119.30 114.90 1cfe s MET 23 Ca 0.73 -2.26 0.07 0.00 -1.03 0.00 0.00 55.69 53.19 1cfe s MET 23 Cb -0.07 -1.68 -0.05 0.00 -1.53 0.00 0.00 34.83 31.50 1cfe s MET 23 CO 0.55 -0.36 0.14 -1.54 -2.03 0.00 0.00 175.02 171.78 1cfe s SER 24 N -3.94 4.28 0.53 -1.18 1.04 -0.21 -5.03 113.70 109.19 1cfe s SER 24 Ca 0.17 -1.21 -0.16 0.00 0.48 0.00 0.00 55.95 55.22 1cfe s SER 24 Cb 0.02 -0.30 -0.07 0.00 0.10 0.00 0.00 66.02 65.77 1cfe s SER 24 CO 0.09 -0.59 1.00 0.86 0.98 0.00 0.00 173.24 175.59 1cfe s TRP 25 N -2.66 3.35 -0.10 5.02 -0.11 -1.26 -1.38 118.94 121.80 1cfe s TRP 25 Ca 0.36 1.47 0.00 0.00 1.22 0.00 0.00 56.10 59.15 1cfe s TRP 25 Cb 0.05 -2.84 0.02 0.00 -1.50 0.00 0.00 33.47 29.20 1cfe s TRP 25 CO 0.20 -0.54 -0.09 0.34 -4.62 0.00 0.00 176.95 172.23 1cfe s ASP 26 N -3.04 2.07 0.52 5.86 2.15 0.27 -4.68 116.67 119.83 1cfe s ASP 26 Ca 0.60 -0.31 0.26 0.00 0.43 0.00 0.00 52.55 53.53 1cfe s ASP 26 Cb -0.11 -0.84 1.43 0.00 -0.30 0.00 0.00 42.92 43.09 1cfe s ASP 26 CO 0.33 -0.08 2.08 0.00 -0.17 0.00 0.00 175.17 177.34 1cfe h ALA 27 N 7.84 1.36 0.00 3.66 0.00 -1.98 -1.29 119.26 128.86 1cfe h ALA 27 Ca -0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1cfe h ALA 27 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cfe h ALA 27 CO 0.43 0.14 -0.16 -0.91 0.00 0.00 0.00 179.25 178.76 1cfe h ASN 28 N 0.00 0.13 -0.36 0.00 2.35 -1.95 0.11 115.58 115.87 1cfe h ASN 28 Ca -0.00 -0.80 0.07 0.00 -0.55 0.00 0.00 56.30 55.01 1cfe h ASN 28 Cb 0.30 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1cfe h ASN 28 CO 0.02 0.92 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.61 1cfe h LEU 29 N -0.64 -0.22 -0.53 1.61 3.38 -1.89 -0.29 115.31 116.72 1cfe h LEU 29 Ca -0.02 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1cfe h LEU 29 Cb 0.95 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1cfe h LEU 29 CO 0.03 -0.07 0.29 0.00 0.09 0.00 0.00 178.44 178.77 1cfe h ALA 30 N 1.33 0.69 -0.18 1.53 0.00 -1.20 0.96 119.26 122.39 1cfe h ALA 30 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1cfe h ALA 30 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1cfe h ALA 30 CO -0.32 -0.05 0.10 0.66 0.00 0.00 0.00 179.25 179.64 1cfe h SER 31 N 0.55 0.23 -0.75 0.00 4.64 -0.43 0.11 113.55 117.90 1cfe h SER 31 Ca 0.23 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1cfe h SER 31 Cb 0.12 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 1cfe h SER 31 CO -0.15 0.24 0.47 -0.09 -0.87 0.00 0.00 176.83 176.44 1cfe h ARG 32 N 0.19 1.00 -0.47 4.77 1.12 -0.61 0.56 114.38 120.95 1cfe h ARG 32 Ca 0.06 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 1cfe h ARG 32 Cb 0.06 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 29.78 1cfe h ARG 32 CO -0.01 0.69 0.18 0.00 -3.11 0.00 0.00 179.97 177.72 1cfe h ALA 33 N 1.26 0.61 0.55 2.80 0.00 -0.47 0.20 119.26 124.21 1cfe h ALA 33 Ca 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1cfe h ALA 33 Cb -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1cfe h ALA 33 CO -0.05 0.23 -0.26 0.37 0.00 0.00 0.00 179.25 179.54 1cfe h GLN 34 N 0.62 -0.71 -0.26 0.00 5.75 -0.22 -0.07 115.11 120.22 1cfe h GLN 34 Ca 0.16 0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.73 1cfe h GLN 34 Cb 0.22 0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1cfe h GLN 34 CO -0.01 -0.47 -0.24 -0.91 -2.65 0.00 0.00 178.83 174.56 1cfe h ASN 35 N -0.74 -0.82 -0.55 -0.69 4.21 -0.88 -1.28 115.58 114.84 1cfe h ASN 35 Ca -0.07 0.11 0.11 0.00 1.21 0.00 0.00 56.30 57.66 1cfe h ASN 35 Cb 0.56 0.35 -0.10 0.00 -1.12 0.00 0.00 38.32 38.01 1cfe h ASN 35 CO 0.12 -0.14 -0.12 0.22 -1.29 0.00 0.00 177.43 176.23 1cfe h TYR 36 N -0.10 -0.25 -0.55 1.19 3.20 -0.32 0.37 116.97 120.50 1cfe h TYR 36 Ca 0.04 0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1cfe h TYR 36 Cb 0.22 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 1cfe h TYR 36 CO -0.78 -0.22 0.24 0.00 -1.64 0.00 0.00 178.16 175.76 1cfe h ALA 37 N 1.54 0.70 0.68 1.82 0.00 -0.90 -2.87 119.26 120.23 1cfe h ALA 37 Ca 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1cfe h ALA 37 Cb 0.41 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1cfe h ALA 37 CO -0.55 -0.15 -0.33 -0.91 0.00 0.00 0.00 179.25 177.31 1cfe h ASN 38 N 0.45 -0.77 -0.40 0.00 2.35 0.74 -3.18 115.58 114.76 1cfe h ASN 38 Ca 0.26 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 1cfe h ASN 38 Cb 0.25 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1cfe h ASN 38 CO -0.23 -0.43 0.30 0.28 -1.65 0.00 0.00 177.43 175.70 1cfe h SER 39 N -1.14 0.00 -0.54 5.81 0.02 -0.40 -0.31 113.55 116.99 1cfe h SER 39 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1cfe h SER 39 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1cfe h SER 39 CO 0.15 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.38 1cfe n ARG 40 N -4.31 2.60 -0.01 3.45 1.74 -1.09 -4.80 116.66 114.23 1cfe n ARG 40 Ca 0.07 -2.40 0.23 0.00 -0.77 0.00 0.00 57.85 54.98 1cfe n ARG 40 Cb 0.49 -1.49 0.70 0.00 -1.02 0.00 0.00 32.46 31.14 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cfe h ALA 41 N 3.96 2.38 -0.80 7.54 0.00 -1.02 0.27 119.26 131.59 1cfe h ALA 41 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1cfe h ALA 41 Cb 0.93 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1cfe h ALA 41 CO 0.00 -0.91 0.52 0.78 0.00 0.00 0.00 179.25 179.64 1cfe h GLY 42 N 0.00 1.14 0.00 0.00 0.00 -1.87 -0.71 103.07 101.63 1cfe h GLY 42 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1cfe h GLY 42 CO -0.00 0.37 -1.22 2.09 0.00 0.00 0.00 176.54 177.77 1cfe n ASP 43 N -4.56 1.44 -1.37 0.19 5.68 0.26 -4.10 116.55 114.09 1cfe n ASP 43 Ca 0.09 -0.31 -0.13 0.00 -0.50 0.00 0.00 54.79 53.94 1cfe n ASP 43 Cb 0.05 1.38 -0.02 0.00 -1.14 0.00 0.00 41.12 41.39 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cfe n ASN 45 N -0.39 0.00 -3.79 0.00 4.13 -1.26 -4.80 115.26 109.15 1cfe n ASN 45 Ca -0.15 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 55.87 1cfe n ASN 45 Cb 0.57 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.77 1cfe n ASN 45 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1cfe n LEU 46 N 0.00 -0.42 -4.10 3.41 4.77 -1.26 -4.95 117.00 114.45 1cfe n LEU 46 Ca 0.00 -0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 54.80 1cfe n LEU 46 Cb 0.00 -1.03 -0.14 0.00 -2.33 0.00 0.00 43.42 39.92 1cfe n LEU 46 CO 0.00 0.39 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.48 1cfe s ILE 47 N -3.96 2.67 -0.39 -0.08 1.01 -1.26 -5.08 121.20 114.12 1cfe s ILE 47 Ca 0.12 -1.79 -0.41 0.00 0.00 0.00 0.00 60.65 58.57 1cfe s ILE 47 Cb -0.07 -2.70 -0.16 0.00 0.01 0.00 0.00 42.46 39.54 1cfe s ILE 47 CO 0.65 -0.30 1.93 0.00 0.00 0.00 0.00 174.94 177.22 1cfe n HIS 48 N 4.48 1.67 0.11 3.97 1.44 -1.26 -4.88 115.22 120.75 1cfe n HIS 48 Ca -0.08 0.63 -0.05 0.00 -2.01 0.00 0.00 57.72 56.22 1cfe n HIS 48 Cb 0.42 -2.40 -0.02 0.00 0.12 0.00 0.00 29.99 28.11 1cfe n HIS 48 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1cfe h SER 49 N 8.59 -0.32 0.00 4.39 4.64 -1.98 -3.48 113.55 125.39 1cfe h SER 49 Ca -0.32 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1cfe h SER 49 Cb 1.35 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1cfe h SER 49 CO 1.01 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 1cfe n GLY 50 N -1.16 -1.48 3.52 -0.77 0.00 -1.26 -5.12 105.19 98.92 1cfe n GLY 50 Ca -0.04 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 1cfe n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cfe s ALA 51 N 0.00 -1.57 0.00 4.61 0.00 -1.26 -4.90 121.76 118.64 1cfe s ALA 51 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1cfe s ALA 51 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1cfe s ALA 51 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1cfe n GLY 52 N 3.67 2.83 3.88 0.00 0.00 0.14 -4.43 105.19 111.29 1cfe n GLY 52 Ca -0.18 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 3.59 0.09 1.61 2.12 -1.26 -4.37 118.70 120.47 1cfe s GLU 53 Ca 0.00 0.53 -0.03 0.00 0.36 0.00 0.00 54.97 55.82 1cfe s GLU 53 Cb 0.00 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.15 1cfe s GLU 53 CO 0.00 -0.40 0.06 0.54 -0.54 0.00 0.00 175.26 174.92 1cfe s ASN 54 N -4.10 0.33 0.11 -1.70 2.20 -0.10 -4.84 114.94 106.85 1cfe s ASN 54 Ca 0.52 -0.96 -0.02 0.00 -0.94 0.00 0.00 52.86 51.46 1cfe s ASN 54 Cb -0.11 0.27 -0.04 0.00 -2.00 0.00 0.00 41.25 39.38 1cfe s ASN 54 CO 0.49 -0.68 0.06 -0.76 -2.94 0.00 0.00 177.10 173.27 1cfe s LEU 55 N -2.94 1.88 -0.20 3.54 1.43 -1.26 -0.52 118.68 120.61 1cfe s LEU 55 Ca 0.11 -1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 1cfe s LEU 55 Cb 0.07 0.38 0.06 0.00 0.03 0.00 0.00 46.19 46.73 1cfe s LEU 55 CO -0.07 -0.71 0.50 0.00 0.23 0.00 0.00 176.35 176.31 1cfe s ALA 56 N -4.00 -1.32 0.28 4.21 0.00 0.27 -4.99 121.76 116.21 1cfe s ALA 56 Ca 0.18 1.79 0.06 0.00 0.00 0.00 0.00 51.96 53.99 1cfe s ALA 56 Cb 0.07 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1cfe s ALA 56 CO -0.02 -0.30 0.39 -1.59 0.00 0.00 0.00 175.76 174.24 1cfe s LYS 57 N 1.38 3.25 0.00 0.00 -2.85 -1.26 -0.74 119.74 119.52 1cfe s LYS 57 Ca -0.09 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 1cfe s LYS 57 Cb -0.07 -2.83 0.00 0.00 -2.06 0.00 0.00 37.83 32.87 1cfe s LYS 57 CO -0.14 0.26 0.00 0.41 0.10 0.00 0.00 175.35 175.99 1cfe n GLY 58 N -1.49 3.41 0.00 0.59 0.00 0.15 -4.95 105.19 102.90 1cfe n GLY 58 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 3.77 0.00 -0.02 0.00 -1.26 -4.29 105.19 103.40 1cfe n GLY 59 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1cfe n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 60 N 0.00 -1.75 1.94 -0.02 0.00 -1.26 -4.78 105.19 99.33 1cfe n GLY 60 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 4.18 -4.53 1.61 5.68 -1.26 -4.82 116.55 117.41 1cfe n ASP 61 Ca 0.00 -2.22 -0.43 0.00 -0.50 0.00 0.00 54.79 51.63 1cfe n ASP 61 Cb 0.00 -1.05 -0.00 0.00 -1.14 0.00 0.00 41.12 38.93 1cfe n ASP 61 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1cfe s PHE 62 N 1.09 3.06 0.81 2.11 5.36 -1.26 -4.93 117.98 124.22 1cfe s PHE 62 Ca 0.36 -1.80 -0.11 0.00 -0.96 0.00 0.00 56.93 54.41 1cfe s PHE 62 Cb 0.17 -4.58 0.07 0.00 -0.34 0.00 0.00 43.02 38.35 1cfe s PHE 62 CO 0.00 -1.65 1.09 0.95 -1.46 0.00 0.00 175.22 174.15 1cfe s THR 63 N 3.21 3.10 0.26 0.12 -4.23 -1.26 -4.80 115.64 112.04 1cfe s THR 63 Ca 0.49 0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 61.33 1cfe s THR 63 Cb 0.01 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1cfe s THR 63 CO 0.04 -0.47 1.89 1.23 -0.54 0.00 0.00 174.62 176.78 1cfe h GLY 64 N -1.15 1.51 -0.00 3.99 0.00 -1.93 0.59 103.07 106.07 1cfe h GLY 64 Ca -0.47 -0.49 0.07 0.00 0.00 0.00 0.00 47.33 46.44 1cfe h GLY 64 CO 0.57 0.37 -0.29 -0.09 0.00 0.00 0.00 176.54 177.11 1cfe h ARG 65 N 1.21 -0.26 -0.60 4.80 2.43 -1.56 -0.90 114.38 119.51 1cfe h ARG 65 Ca 0.42 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.68 1cfe h ARG 65 Cb 0.11 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1cfe h ARG 65 CO -0.15 -0.17 0.40 0.00 -1.51 0.00 0.00 179.97 178.53 1cfe h ALA 66 N 0.75 1.89 0.24 2.80 0.00 -1.24 0.70 119.26 124.39 1cfe h ALA 66 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 66 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cfe h ALA 66 CO -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 178.68 1cfe h ALA 67 N 1.68 -0.32 -0.60 0.00 0.00 0.25 0.21 119.26 120.49 1cfe h ALA 67 Ca 0.26 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1cfe h ALA 67 Cb 0.37 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1cfe h ALA 67 CO -0.08 -0.68 0.30 0.28 0.00 0.00 0.00 179.25 179.07 1cfe h VAL 68 N -0.32 0.91 -0.76 0.00 2.07 -0.09 -0.73 116.25 117.33 1cfe h VAL 68 Ca -0.03 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.43 1cfe h VAL 68 Cb 0.25 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 1cfe h VAL 68 CO 0.05 0.10 0.35 1.56 0.02 0.00 0.00 177.57 179.65 1cfe h GLN 69 N 0.55 0.52 -0.58 1.57 4.20 -0.58 0.20 115.11 120.99 1cfe h GLN 69 Ca 0.28 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.97 1cfe h GLN 69 Cb 0.22 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1cfe h GLN 69 CO -0.21 0.34 0.38 1.25 -0.67 0.00 0.00 178.83 179.92 1cfe h LEU 70 N 0.53 0.65 -1.49 1.46 5.85 0.77 -1.26 115.31 121.82 1cfe h LEU 70 Ca 0.40 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 1cfe h LEU 70 Cb 0.55 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1cfe h LEU 70 CO -0.35 0.46 -0.05 -0.50 -0.34 0.00 0.00 178.44 177.66 1cfe h TRP 71 N 0.77 0.27 -0.07 1.25 6.55 0.40 -1.62 115.95 123.49 1cfe h TRP 71 Ca 0.22 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.04 1cfe h TRP 71 Cb -0.07 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 1cfe h TRP 71 CO -0.04 0.33 0.00 0.28 -1.05 0.00 0.00 178.44 177.96 1cfe n VAL 72 N -4.33 0.09 -0.22 1.49 0.31 0.48 -1.74 118.33 114.40 1cfe n VAL 72 Ca -0.00 -0.18 0.30 0.00 -0.01 0.00 0.00 64.34 64.44 1cfe n VAL 72 Cb 0.22 0.08 0.72 0.00 -0.91 0.00 0.00 33.84 33.94 1cfe n VAL 72 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1cfe h SER 73 N 1.27 0.03 0.00 4.52 0.02 -0.31 -2.92 113.55 116.17 1cfe h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cfe h SER 73 Cb 0.28 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1cfe h SER 73 CO 0.00 0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 175.08 1cfe n GLU 74 N -4.27 0.88 -0.15 3.45 -0.58 -1.24 -4.31 120.64 114.41 1cfe n GLU 74 Ca 0.20 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.82 1cfe n GLU 74 Cb 1.01 -1.27 -0.09 0.00 -0.57 0.00 0.00 31.44 30.52 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 0.08 -0.35 -0.21 3.49 2.43 -1.82 0.08 114.38 118.08 1cfe h ARG 75 Ca 0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1cfe h ARG 75 Cb 0.27 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1cfe h ARG 75 CO 0.00 -0.23 0.57 -1.00 -1.51 0.00 0.00 179.97 177.80 1cfe h PRO 76 N -0.36 0.00 0.01 0.20 0.13 -1.91 -2.13 132.00 127.94 1cfe h PRO 76 Ca 0.09 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.84 1cfe h PRO 76 Cb 0.59 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 1cfe h PRO 76 CO -0.62 0.00 -2.39 -1.13 -0.23 0.00 0.00 178.00 173.64 1cfe n SER 77 N -3.06 1.60 -4.70 1.44 3.41 -0.24 -4.92 113.62 107.15 1cfe n SER 77 Ca 0.03 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 1cfe n SER 77 Cb 0.67 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.52 3.57 -0.23 7.33 -0.85 -0.15 -1.78 117.35 122.72 1cfe s TYR 78 Ca -0.28 1.45 -0.11 0.00 -0.52 0.00 0.00 57.07 57.61 1cfe s TYR 78 Cb 0.08 -2.99 0.08 0.00 0.38 0.00 0.00 41.96 39.51 1cfe s TYR 78 CO 0.67 -0.03 0.55 1.21 -1.52 0.00 0.00 175.55 176.42 1cfe s ASN 79 N 0.97 -0.72 -0.41 -0.18 3.84 -1.25 -4.80 114.94 112.39 1cfe s ASN 79 Ca 0.44 1.24 -0.29 0.00 0.21 0.00 0.00 52.86 54.46 1cfe s ASN 79 Cb -0.19 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 41.87 1cfe s ASN 79 CO 0.21 -0.22 1.54 -0.47 -2.79 0.00 0.00 177.10 175.37 1cfe s TYR 80 N 1.98 2.19 0.00 0.43 6.14 -1.26 -4.32 117.35 122.51 1cfe s TYR 80 Ca -0.08 0.64 0.00 0.00 0.64 0.00 0.00 57.07 58.28 1cfe s TYR 80 Cb -0.09 -4.26 0.00 0.00 0.42 0.00 0.00 41.96 38.03 1cfe s TYR 80 CO -0.16 -2.28 0.00 0.00 0.64 0.00 0.00 175.55 173.75 1cfe n ALA 81 N 9.43 0.46 -1.54 3.97 0.00 -1.26 -4.97 120.51 126.60 1cfe n ALA 81 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 1cfe n ALA 81 Cb 0.48 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 3.42 -3.41 0.00 -2.24 -1.26 -4.89 114.28 105.90 1cfe n THR 82 Ca 0.00 -3.34 -0.18 0.00 -2.27 0.00 0.00 64.05 58.26 1cfe n THR 82 Cb 0.00 -1.17 0.04 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.83 -6.31 -1.53 3.42 2.85 -1.26 -5.00 115.26 106.59 1cfe n ASN 83 Ca 0.58 -0.68 -0.04 0.00 -0.11 0.00 0.00 54.58 54.34 1cfe n ASN 83 Cb 0.67 -4.23 -0.01 0.00 1.24 0.00 0.00 39.78 37.45 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 -3.12 0.20 -2.24 1.20 10.64 -1.26 -5.00 117.38 117.79 1cfe n GLN 84 Ca -0.09 -0.74 -0.25 0.00 -1.83 0.00 0.00 57.00 54.10 1cfe n GLN 84 Cb 0.59 0.73 0.01 0.00 -0.86 0.00 0.00 30.24 30.71 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 -0.60 0.00 -1.00 0.00 0.31 -0.73 -1.88 118.33 114.43 1cfe n VAL 86 Ca 0.41 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.40 1cfe n VAL 86 Cb 0.83 -0.03 -0.04 0.00 -0.91 0.00 0.00 33.84 33.69 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 -0.27 2.90 2.48 2.92 0.00 -1.26 -4.71 105.19 107.26 1cfe n GLY 87 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 1cfe n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cfe s GLY 88 N 4.21 1.46 1.10 -0.02 0.00 -0.79 -5.07 107.32 108.21 1cfe s GLY 88 Ca 0.49 -2.64 -0.18 0.00 0.00 0.00 0.00 44.72 42.39 1cfe s GLY 88 CO 0.04 1.95 1.20 0.54 0.00 0.00 0.00 173.10 176.83 1cfe s LYS 89 N -0.12 -0.44 -1.48 2.90 -0.14 -1.26 -4.09 119.74 115.11 1cfe s LYS 89 Ca 0.30 -0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.59 1cfe s LYS 89 Cb 0.00 -1.70 0.06 0.00 -1.68 0.00 0.00 37.83 34.52 1cfe s LYS 89 CO -0.18 -3.17 0.92 1.63 -0.76 0.00 0.00 175.35 173.80 1cfe n LYS 90 N -4.34 -5.46 -0.11 1.68 5.02 -1.26 -4.90 118.16 108.79 1cfe n LYS 90 Ca 0.14 0.61 0.09 0.00 -2.02 0.00 0.00 58.31 57.13 1cfe n LYS 90 Cb 0.59 -5.42 0.14 0.00 -0.02 0.00 0.00 35.03 30.32 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 -1.23 3.88 0.18 0.00 5.12 -1.26 -3.72 116.66 119.63 1cfe n ARG 92 Ca 0.15 -2.46 0.00 0.00 -1.93 0.00 0.00 57.85 53.61 1cfe n ARG 92 Cb 0.64 -2.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.18 1cfe n ARG 92 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1cfe n HIS 93 N 3.16 -3.53 -0.31 -1.55 8.25 -1.26 -4.92 115.22 115.05 1cfe n HIS 93 Ca 0.75 0.99 0.16 0.00 -0.26 0.00 0.00 57.72 59.36 1cfe n HIS 93 Cb 0.24 2.28 0.34 0.00 1.12 0.00 0.00 29.99 33.97 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 0.61 -0.77 4.41 3.20 -1.42 0.81 116.97 123.81 1cfe h TYR 94 Ca 0.00 0.04 0.18 0.00 3.14 0.00 0.00 58.73 62.09 1cfe h TYR 94 Cb 0.00 -0.12 -0.13 0.00 1.54 0.00 0.00 36.73 38.02 1cfe h TYR 94 CO 0.00 -0.14 0.08 1.79 -1.64 0.00 0.00 178.16 178.24 1cfe h THR 95 N 0.31 0.37 -0.36 1.81 1.35 -1.88 0.16 112.91 114.67 1cfe h THR 95 Ca 0.60 -0.05 -0.06 0.00 -0.55 0.00 0.00 66.41 66.35 1cfe h THR 95 Cb 1.24 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1cfe h THR 95 CO -0.60 0.03 0.00 -0.61 -0.25 0.00 0.00 175.52 174.09 1cfe h GLN 96 N 0.15 0.63 -0.90 4.72 5.75 -1.20 0.28 115.11 124.55 1cfe h GLN 96 Ca 0.43 -0.20 0.12 0.00 -0.15 0.00 0.00 58.65 58.86 1cfe h GLN 96 Cb 0.78 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.20 1cfe h GLN 96 CO -0.63 0.74 0.58 0.28 -2.65 0.00 0.00 178.83 177.15 1cfe h VAL 97 N 0.45 0.89 0.16 2.39 2.07 -0.57 -1.90 116.25 119.74 1cfe h VAL 97 Ca 0.10 -0.27 -0.32 0.00 0.82 0.00 0.00 66.70 67.03 1cfe h VAL 97 Cb 0.46 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1cfe h VAL 97 CO 0.02 0.14 -1.57 1.62 0.02 0.00 0.00 177.57 177.80 1cfe h VAL 98 N 0.79 1.13 0.00 2.57 3.04 -0.84 -3.42 116.25 119.51 1cfe h VAL 98 Ca 0.44 -2.72 -0.39 0.00 -1.01 0.00 0.00 66.70 63.02 1cfe h VAL 98 Cb 0.58 2.81 -0.06 0.00 -2.01 0.00 0.00 31.29 32.61 1cfe h VAL 98 CO -0.20 0.83 1.21 1.87 -1.01 0.00 0.00 177.57 180.27 1cfe n TRP 99 N -3.53 0.47 -0.30 3.17 -0.00 0.97 -4.77 117.44 113.45 1cfe n TRP 99 Ca -0.18 0.32 0.19 0.00 -0.00 0.00 0.00 57.50 57.83 1cfe n TRP 99 Cb 1.06 -1.69 0.47 0.00 -0.00 0.00 0.00 31.31 31.15 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 8.24 0.46 -0.19 5.87 1.12 -1.00 -1.22 114.38 127.65 1cfe h ARG 100 Ca -0.04 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.78 1cfe h ARG 100 Cb 0.95 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 1cfe h ARG 100 CO 0.96 0.30 0.01 -0.97 -3.11 0.00 0.00 179.97 177.17 1cfe h ASN 101 N 0.47 0.25 -3.51 -3.80 -1.24 -1.82 -3.44 115.58 102.49 1cfe h ASN 101 Ca 0.54 -0.03 -0.53 0.00 0.71 0.00 0.00 56.30 56.99 1cfe h ASN 101 Cb 1.25 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 40.20 1cfe h ASN 101 CO -0.26 0.29 0.22 -0.94 -1.29 0.00 0.00 177.43 175.45 1cfe s SER 102 N -6.87 7.35 0.00 1.15 1.04 -0.46 -4.27 113.70 111.65 1cfe s SER 102 Ca -0.06 1.61 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1cfe s SER 102 Cb 0.16 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1cfe s SER 102 CO 0.72 0.07 0.00 1.33 0.98 0.00 0.00 173.24 176.34 1cfe n VAL 103 N 2.34 0.00 -3.91 5.02 0.24 -0.57 -4.78 118.33 116.67 1cfe n VAL 103 Ca -0.02 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.92 1cfe n VAL 103 Cb 0.49 -0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.68 3.76 -0.04 7.34 0.52 -0.56 -1.05 118.95 127.25 1cfe s ARG 104 Ca 0.00 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.02 1cfe s ARG 104 Cb 0.00 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 1cfe s ARG 104 CO 0.00 0.50 -0.18 -1.17 0.02 0.00 0.00 175.30 174.47 1cfe s LEU 105 N -0.25 1.94 -0.25 2.53 0.20 -0.48 -2.54 118.68 119.83 1cfe s LEU 105 Ca 0.10 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.53 1cfe s LEU 105 Cb -0.12 -1.01 0.14 0.00 -0.43 0.00 0.00 46.19 44.77 1cfe s LEU 105 CO 0.01 0.16 0.37 -0.83 -0.29 0.00 0.00 176.35 175.78 1cfe s GLY 106 N -0.00 -0.41 0.24 7.98 0.00 -0.09 -0.56 107.32 114.47 1cfe s GLY 106 Ca -0.03 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.34 1cfe s GLY 106 CO 0.02 2.70 0.48 0.00 0.00 0.00 0.00 173.10 176.31 1cfe n GLY 108 N -0.62 4.40 3.43 0.00 0.00 -0.27 -4.54 105.19 107.59 1cfe n GLY 108 Ca -0.02 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1cfe n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cfe s ARG 109 N 2.28 1.12 -0.04 1.61 6.06 -1.26 -4.51 118.95 124.21 1cfe s ARG 109 Ca 0.00 -0.21 -0.30 0.00 -2.50 0.00 0.00 55.73 52.72 1cfe s ARG 109 Cb 0.00 0.52 0.08 0.00 0.06 0.00 0.00 34.95 35.60 1cfe s ARG 109 CO 0.00 -0.42 0.71 0.00 -2.50 0.00 0.00 175.30 173.09 1cfe s ALA 110 N -2.61 -1.77 -0.72 6.12 0.00 -0.00 -4.51 121.76 118.27 1cfe s ALA 110 Ca -0.04 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 1cfe s ALA 110 Cb -0.01 0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.28 1cfe s ALA 110 CO -0.03 -0.40 0.74 0.50 0.00 0.00 0.00 175.76 176.57 1cfe s ARG 111 N -1.43 3.33 1.10 0.00 3.52 -1.26 -0.26 118.95 123.95 1cfe s ARG 111 Ca -0.09 -1.92 -0.14 0.00 -0.13 0.00 0.00 55.73 53.45 1cfe s ARG 111 Cb -0.00 -4.43 0.24 0.00 -1.56 0.00 0.00 34.95 29.20 1cfe s ARG 111 CO 0.07 -1.43 1.07 0.00 -0.81 0.00 0.00 175.30 174.21 1cfe n ASN 113 N -4.54 0.00 0.30 0.00 5.15 -0.27 -3.75 115.26 112.15 1cfe n ASN 113 Ca 0.06 0.27 -0.16 0.00 -0.60 0.00 0.00 54.58 54.16 1cfe n ASN 113 Cb 0.57 -0.09 -0.08 0.00 -0.53 0.00 0.00 39.78 39.65 1cfe n ASN 113 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1cfe h ASN 114 N 0.00 -0.64 -0.32 1.20 -1.07 -1.78 -3.25 115.58 109.72 1cfe h ASN 114 Ca 0.00 -0.04 -0.18 0.00 0.07 0.00 0.00 56.30 56.16 1cfe h ASN 114 Cb 0.00 0.17 -0.10 0.00 -2.07 0.00 0.00 38.32 36.32 1cfe h ASN 114 CO 0.00 -0.34 0.22 0.61 0.07 0.00 0.00 177.43 178.00 1cfe n GLY 115 N -0.89 2.94 7.00 9.14 0.00 -1.26 -4.95 105.19 117.17 1cfe n GLY 115 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.11 0.00 -2.83 1.61 8.01 -1.23 -3.88 117.44 119.22 1cfe n TRP 116 Ca 0.19 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.96 1cfe n TRP 116 Cb 0.82 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.08 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 3.27 0.04 -5.99 0.23 -1.26 -0.06 118.94 115.17 1cfe s TRP 117 Ca 0.00 1.14 0.08 0.00 -2.03 0.00 0.00 56.10 55.28 1cfe s TRP 117 Cb 0.00 -3.21 -0.03 0.00 0.03 0.00 0.00 33.47 30.26 1cfe s TRP 117 CO 0.00 -0.50 -0.21 0.12 0.96 0.00 0.00 176.95 177.33 1cfe s PHE 118 N 3.04 2.49 -0.13 -1.98 5.36 0.64 0.33 117.98 127.73 1cfe s PHE 118 Ca 0.37 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1cfe s PHE 118 Cb -0.15 -1.44 0.04 0.00 -0.34 0.00 0.00 43.02 41.13 1cfe s PHE 118 CO 0.09 0.21 0.00 0.42 -1.46 0.00 0.00 175.22 174.48 1cfe s ILE 119 N -0.88 0.56 0.04 3.12 1.09 0.08 -0.82 121.20 124.39 1cfe s ILE 119 Ca 0.14 -0.24 -0.17 0.00 -1.10 0.00 0.00 60.65 59.28 1cfe s ILE 119 Cb -0.10 -0.84 -0.06 0.00 -1.06 0.00 0.00 42.46 40.40 1cfe s ILE 119 CO 0.04 0.09 0.48 -0.44 -0.10 0.00 0.00 174.94 175.01 1cfe s SER 120 N 1.87 6.92 -0.12 3.58 0.01 -1.26 -0.57 113.70 124.13 1cfe s SER 120 Ca 0.02 1.09 -0.01 0.00 1.31 0.00 0.00 55.95 58.36 1cfe s SER 120 Cb -0.14 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.83 1cfe s SER 120 CO -0.07 0.30 -0.01 0.00 0.41 0.00 0.00 173.24 173.87 1cfe s ASN 122 N 1.85 3.94 0.05 0.00 3.84 -0.04 -0.92 114.94 123.67 1cfe s ASN 122 Ca 0.03 -0.68 -0.08 0.00 0.21 0.00 0.00 52.86 52.34 1cfe s ASN 122 Cb -0.14 -0.55 -0.00 0.00 -0.55 0.00 0.00 41.25 40.01 1cfe s ASN 122 CO -0.07 0.12 0.17 -0.31 -2.79 0.00 0.00 177.10 174.22 1cfe s TYR 123 N -1.65 0.12 0.02 0.43 1.51 -1.26 -0.92 117.35 115.61 1cfe s TYR 123 Ca 0.23 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 1cfe s TYR 123 Cb -0.09 -0.07 0.01 0.00 -0.11 0.00 0.00 41.96 41.70 1cfe s TYR 123 CO 0.13 -0.45 0.21 0.16 -1.11 0.00 0.00 175.55 174.49 1cfe s ASP 124 N -2.34 -0.02 1.29 2.29 1.47 -1.05 -4.64 116.67 113.66 1cfe s ASP 124 Ca -0.02 -0.23 -0.18 0.00 1.18 0.00 0.00 52.55 53.31 1cfe s ASP 124 Cb 0.01 0.27 0.32 0.00 -0.34 0.00 0.00 42.92 43.19 1cfe s ASP 124 CO -0.06 -0.49 0.99 -2.16 0.68 0.00 0.00 175.17 174.13 1cfe s PRO 125 N -2.00 -1.87 0.95 2.11 0.04 -1.26 -1.49 135.00 131.48 1cfe s PRO 125 Ca -0.09 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.30 1cfe s PRO 125 Cb -0.04 -1.47 0.17 0.00 0.04 0.00 0.00 34.50 33.20 1cfe s PRO 125 CO -0.01 -4.26 1.13 0.14 0.04 0.00 0.00 177.00 174.04 1cfe s VAL 126 N -2.41 2.05 0.24 -0.36 -7.23 -1.26 -4.36 120.40 107.06 1cfe s VAL 126 Ca 0.69 0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 60.67 1cfe s VAL 126 Cb -0.19 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.74 1cfe s VAL 126 CO 0.61 -0.02 0.65 -0.83 -0.31 0.00 0.00 175.10 175.20 1cfe s GLY 127 N -2.64 -0.13 -0.23 2.32 0.00 -1.26 -4.64 107.32 100.74 1cfe s GLY 127 Ca 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1cfe s GLY 127 CO 0.59 -0.12 0.00 0.70 0.00 0.00 0.00 173.10 174.27 1cfe n ASN 128 N -0.42 -4.75 -4.71 1.64 3.02 -1.26 0.29 115.26 109.06 1cfe n ASN 128 Ca -0.07 0.05 -0.37 0.00 -0.03 0.00 0.00 54.58 54.17 1cfe n ASN 128 Cb 0.61 -2.44 -0.07 0.00 -0.61 0.00 0.00 39.78 37.26 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 -1.58 3.43 0.76 3.10 -0.11 -1.26 -4.91 118.94 118.37 1cfe s TRP 129 Ca 0.00 0.58 -0.12 0.00 1.22 0.00 0.00 56.10 57.78 1cfe s TRP 129 Cb 0.00 -2.38 0.06 0.00 -1.50 0.00 0.00 33.47 29.65 1cfe s TRP 129 CO 0.00 0.17 1.13 -1.50 -4.62 0.00 0.00 176.95 172.13 1cfe s ILE 130 N 0.69 2.84 -0.49 5.86 2.07 -1.26 -4.22 121.20 126.69 1cfe s ILE 130 Ca 0.17 0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 59.72 1cfe s ILE 130 Cb -0.13 -2.75 -0.02 0.00 0.13 0.00 0.00 42.46 39.69 1cfe s ILE 130 CO 0.05 -0.30 0.42 0.61 -1.91 0.00 0.00 174.94 173.80 1cfe n GLY 131 N -0.41 0.03 1.44 1.50 0.00 -1.26 -4.94 105.19 101.55 1cfe n GLY 131 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1cfe n GLY 131 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cfe n GLN 132 N -2.30 0.00 -0.04 1.61 7.27 -1.26 -5.17 117.38 117.49 1cfe n GLN 132 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1cfe n GLN 132 Cb 0.56 -0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.18 1cfe n GLN 132 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1cfe n ARG 133 N -2.22 0.00 0.06 3.69 0.63 -1.26 -4.99 116.66 112.56 1cfe n ARG 133 Ca 0.00 0.04 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 1cfe n ARG 133 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1cfe n ARG 133 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1cfe h PRO 134 N 0.00 0.50 0.00 -0.14 0.13 -1.94 -3.42 132.00 127.13 1cfe h PRO 134 Ca 0.00 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1cfe h PRO 134 Cb 0.00 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1cfe h PRO 134 CO 0.00 1.16 0.00 2.48 -0.23 0.00 0.00 178.00 181.41