#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy s ASN 9 N 0.00 2.26 0.02 0.55 0.01 -1.26 -5.15 114.94 111.37 3huy s ASN 9 Ca 0.00 -0.71 0.01 0.00 -0.71 0.00 0.00 52.86 51.44 3huy s ASN 9 Cb 0.00 -0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.51 3huy s ASN 9 CO 0.00 -0.02 0.07 -1.48 -1.51 0.00 0.00 177.10 174.16 3huy s LEU 10 N -2.06 3.83 -1.38 0.60 2.34 -1.26 -5.02 118.68 115.73 3huy s LEU 10 Ca 0.06 0.09 -0.15 0.00 0.06 0.00 0.00 54.13 54.19 3huy s LEU 10 Cb -0.09 -2.29 0.06 0.00 -0.56 0.00 0.00 46.19 43.32 3huy s LEU 10 CO 0.04 0.25 2.01 -1.20 -1.06 0.00 0.00 176.35 176.38 3huy n SER 11 N 1.04 4.37 0.00 1.48 7.64 -1.26 -3.21 113.62 123.69 3huy n SER 11 Ca -0.12 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.87 3huy n SER 11 Cb 0.52 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 3huy n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3huy n ALA 12 N 6.77 1.17 0.00 -0.43 0.00 -1.26 -4.59 120.51 122.18 3huy n ALA 12 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3huy n ALA 12 Cb 0.41 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3huy n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3huy n LEU 13 N -0.90 0.00 -0.14 0.00 -0.00 -1.20 0.22 117.00 114.98 3huy n LEU 13 Ca 0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 56.01 55.93 3huy n LEU 13 Cb 0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 43.42 43.53 3huy n LEU 13 CO 0.00 -0.01 0.88 0.50 -0.00 0.00 0.00 177.39 178.76 3huy h LYS 14 N 0.00 0.64 -0.32 1.47 3.64 -1.86 -0.56 116.57 119.59 3huy h LYS 14 Ca 0.00 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3huy h LYS 14 Cb 0.00 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3huy h LYS 14 CO 0.00 0.65 0.66 0.00 -2.27 0.00 0.00 179.45 178.48 3huy h ARG 15 N 0.52 0.00 0.00 1.90 2.47 0.22 0.43 114.38 119.93 3huy h ARG 15 Ca 0.13 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 3huy h ARG 15 Cb 0.28 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3huy h ARG 15 CO -0.00 0.00 -0.23 1.25 0.56 0.00 0.00 179.97 181.55 3huy h HIS 16 N 0.00 0.00 -0.91 3.04 2.76 -1.27 0.77 115.15 119.54 3huy h HIS 16 Ca 0.15 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.50 3huy h HIS 16 Cb 1.46 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 30.25 3huy h HIS 16 CO 0.00 0.17 -0.26 0.00 -1.30 0.00 0.00 177.93 176.54 3huy h ARG 17 N -1.00 -0.01 0.65 5.26 3.08 0.29 0.24 114.38 122.89 3huy h ARG 17 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3huy h ARG 17 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3huy h ARG 17 CO -0.01 -0.01 -0.31 1.96 -1.07 0.00 0.00 179.97 180.53 3huy h GLN 18 N -0.01 -0.84 -0.04 0.04 4.20 -0.49 -3.19 115.11 114.78 3huy h GLN 18 Ca 0.42 0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.19 3huy h GLN 18 Cb 0.65 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3huy h GLN 18 CO -0.94 -0.56 -0.01 0.45 -0.67 0.00 0.00 178.83 177.10 3huy n SER 19 N -5.18 -0.02 0.00 1.46 2.88 0.70 -0.18 113.62 113.28 3huy n SER 19 Ca -0.11 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 3huy n SER 19 Cb 0.35 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3huy n SER 19 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3huy n LEU 20 N -4.06 0.00 -0.17 2.46 4.77 -0.43 -1.31 117.00 118.26 3huy n LEU 20 Ca 0.01 0.71 0.15 0.00 -0.03 0.00 0.00 56.01 56.84 3huy n LEU 20 Cb 0.02 -0.21 0.28 0.00 -2.33 0.00 0.00 43.42 41.18 3huy n LEU 20 CO -0.01 -0.21 0.53 0.29 -1.33 0.00 0.00 177.39 176.66 3huy n LYS 21 N -1.21 -0.03 0.00 3.23 5.02 0.75 0.14 118.16 126.05 3huy n LYS 21 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3huy n LYS 21 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3huy n LYS 21 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3huy n ARG 22 N -4.28 0.00 -0.33 1.97 1.74 -1.03 0.46 116.66 115.19 3huy n ARG 22 Ca 0.18 0.46 0.17 0.00 -0.77 0.00 0.00 57.85 57.90 3huy n ARG 22 Cb 0.62 -1.33 0.33 0.00 -1.02 0.00 0.00 32.46 31.06 3huy n ARG 22 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3huy n ARG 23 N -1.89 -0.07 -0.02 5.56 0.63 0.38 0.15 116.66 121.40 3huy n ARG 23 Ca 0.00 1.44 -0.12 0.00 -0.92 0.00 0.00 57.85 58.25 3huy n ARG 23 Cb 0.00 -2.33 -0.07 0.00 0.45 0.00 0.00 32.46 30.52 3huy n ARG 23 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3huy h LEU 24 N 0.00 0.13 0.00 6.15 7.12 -0.34 -1.31 115.31 127.07 3huy h LEU 24 Ca 0.62 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.41 3huy h LEU 24 Cb 1.36 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 3huy h LEU 24 CO -0.89 0.32 0.00 -1.14 -0.13 0.00 0.00 178.44 176.60 3huy n ARG 25 N -4.89 0.00 0.00 1.25 0.63 0.41 -2.29 116.66 111.76 3huy n ARG 25 Ca -0.06 0.65 0.06 0.00 -0.92 0.00 0.00 57.85 57.59 3huy n ARG 25 Cb 0.15 -1.48 0.38 0.00 0.45 0.00 0.00 32.46 31.96 3huy n ARG 25 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3huy n ASN 26 N -2.29 0.00 0.08 6.15 2.04 -0.01 -1.95 115.26 119.29 3huy n ASN 26 Ca 0.00 -0.96 -0.21 0.00 -0.44 0.00 0.00 54.58 52.97 3huy n ASN 26 Cb 0.00 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.10 3huy n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3huy h LYS 27 N 0.00 0.37 0.00 -3.83 3.64 -0.89 -3.22 116.57 112.63 3huy h LYS 27 Ca 0.00 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 3huy h LYS 27 Cb 0.00 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3huy h LYS 27 CO 0.00 1.27 0.00 0.00 -2.27 0.00 0.00 179.45 178.45 3huy n ALA 28 N -2.75 -0.21 -0.32 5.00 0.00 -0.82 -3.28 120.51 118.13 3huy n ALA 28 Ca -0.20 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.43 3huy n ALA 28 Cb 1.07 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.90 3huy n ALA 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3huy h LYS 29 N 0.00 0.20 -0.52 0.00 2.10 -1.77 0.21 116.57 116.79 3huy h LYS 29 Ca 0.00 -0.01 0.15 0.00 -2.00 0.00 0.00 60.65 58.79 3huy h LYS 29 Cb 0.00 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 3huy h LYS 29 CO 0.00 0.13 0.43 -0.22 -2.00 0.00 0.00 179.45 177.79 3huy h LYS 30 N 0.20 0.00 0.06 0.07 3.11 -1.61 0.65 116.57 119.05 3huy h LYS 30 Ca 0.65 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 58.21 3huy h LYS 30 Cb 1.44 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.64 3huy h LYS 30 CO -0.68 0.00 -1.48 0.66 -2.81 0.00 0.00 179.45 175.14 3huy h SER 31 N 0.00 0.20 -0.87 4.20 4.64 -0.56 -3.15 113.55 118.00 3huy h SER 31 Ca 0.25 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3huy h SER 31 Cb 1.11 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 3huy h SER 31 CO -0.00 1.24 0.56 0.00 -0.87 0.00 0.00 176.83 177.76 3huy h ALA 32 N 0.73 1.10 -0.72 5.18 0.00 -0.77 0.44 119.26 125.21 3huy h ALA 32 Ca -0.21 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.73 3huy h ALA 32 Cb 1.96 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 3huy h ALA 32 CO 0.13 0.52 0.36 0.82 0.00 0.00 0.00 179.25 181.08 3huy h ILE 33 N 1.18 0.83 0.54 0.00 1.08 -1.29 0.49 117.51 120.34 3huy h ILE 33 Ca 0.32 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.55 3huy h ILE 33 Cb -0.12 0.18 0.01 0.00 -3.07 0.00 0.00 36.82 33.82 3huy h ILE 33 CO -0.07 0.11 -0.26 0.11 -0.69 0.00 0.00 178.15 177.35 3huy h LYS 34 N 0.60 -0.70 -0.49 2.37 1.57 -0.44 -2.65 116.57 116.82 3huy h LYS 34 Ca 0.36 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.26 3huy h LYS 34 Cb 0.39 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3huy h LYS 34 CO -0.28 -0.47 0.16 1.79 -0.57 0.00 0.00 179.45 180.09 3huy h THR 35 N -0.81 0.81 -0.02 -0.16 1.35 -0.17 0.98 112.91 114.90 3huy h THR 35 Ca -0.07 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3huy h THR 35 Cb 0.56 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3huy h THR 35 CO 0.12 0.06 0.08 -0.07 -0.25 0.00 0.00 175.52 175.46 3huy h LEU 36 N 0.33 0.00 0.11 3.87 -0.00 -0.97 0.49 115.31 119.14 3huy h LEU 36 Ca 0.24 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.94 3huy h LEU 36 Cb 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.93 3huy h LEU 36 CO -0.26 0.00 -0.84 0.28 -0.00 0.00 0.00 178.44 177.62 3huy h SER 37 N 0.00 0.35 0.81 -0.43 0.02 -0.47 -2.69 113.55 111.15 3huy h SER 37 Ca 0.01 -0.92 -0.04 0.00 -0.84 0.00 0.00 61.79 60.01 3huy h SER 37 Cb 0.16 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3huy h SER 37 CO -0.00 1.39 -0.49 0.11 -1.14 0.00 0.00 176.83 176.70 3huy h LYS 38 N -0.49 -1.17 -1.40 3.45 1.57 0.02 -0.37 116.57 118.18 3huy h LYS 38 Ca -0.17 0.08 0.41 0.00 -1.87 0.00 0.00 60.65 59.10 3huy h LYS 38 Cb 1.55 0.27 -0.06 0.00 0.08 0.00 0.00 32.23 34.07 3huy h LYS 38 CO 0.09 -0.78 1.04 -0.22 -0.57 0.00 0.00 179.45 179.01 3huy h LYS 39 N -1.21 0.00 0.00 3.15 3.64 -0.21 0.69 116.57 122.62 3huy h LYS 39 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3huy h LYS 39 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3huy h LYS 39 CO 0.12 0.00 -0.00 0.00 -2.27 0.00 0.00 179.45 177.30 3huy h ALA 40 N 1.23 0.00 0.00 5.00 0.00 -0.93 -3.16 119.26 121.39 3huy h ALA 40 Ca 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3huy h ALA 40 Cb 2.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.54 3huy h ALA 40 CO -0.01 0.00 0.31 -0.84 0.00 0.00 0.00 179.25 178.71 3huy h ILE 41 N -0.01 0.00 0.58 0.00 3.07 -0.63 0.98 117.51 121.49 3huy h ILE 41 Ca 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.39 3huy h ILE 41 Cb 0.00 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 36.97 3huy h ILE 41 CO 0.00 0.00 -0.44 -0.61 -1.05 0.00 0.00 178.15 176.05 3huy h GLN 42 N 0.00 -0.94 -0.34 0.16 5.75 0.34 0.21 115.11 120.30 3huy h GLN 42 Ca 0.00 0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 3huy h GLN 42 Cb 0.62 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 3huy h GLN 42 CO 0.00 -0.63 -0.31 -0.07 -2.65 0.00 0.00 178.83 175.17 3huy h LEU 43 N -0.98 0.75 -1.81 -2.39 3.38 -0.88 -1.69 115.31 111.69 3huy h LEU 43 Ca -0.08 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3huy h LEU 43 Cb 0.81 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3huy h LEU 43 CO 0.02 1.00 0.22 0.00 0.09 0.00 0.00 178.44 179.77 3huy h ALA 44 N 1.04 1.20 0.00 1.53 0.00 -0.57 -0.90 119.26 121.56 3huy h ALA 44 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3huy h ALA 44 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3huy h ALA 44 CO 0.07 -0.20 -0.02 0.37 0.00 0.00 0.00 179.25 179.48 3huy h GLN 45 N 0.00 0.00 -4.18 0.00 -0.00 0.39 -3.25 115.11 108.07 3huy h GLN 45 Ca 0.00 0.00 -0.76 0.00 -0.00 0.00 0.00 58.65 57.89 3huy h GLN 45 Cb 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 27.48 27.69 3huy h GLN 45 CO 0.00 0.07 0.60 -2.00 0.00 0.00 0.00 178.83 177.51 3huy s GLU 46 N -1.62 3.88 0.00 1.69 -6.30 -0.40 -4.91 118.70 111.03 3huy s GLU 46 Ca -0.02 -2.56 0.00 0.00 -2.50 0.00 0.00 54.97 49.89 3huy s GLU 46 Cb -0.00 -4.69 0.00 0.00 0.00 0.00 0.00 34.13 29.44 3huy s GLU 46 CO 0.06 -1.47 0.00 0.41 0.02 0.00 0.00 175.26 174.28 3huy n GLY 47 N 3.94 0.00 3.79 -1.50 0.00 -1.03 -4.75 105.19 105.65 3huy n GLY 47 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3huy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huy s LYS 48 N 0.00 4.34 0.00 1.61 -0.14 -0.85 -5.00 119.74 119.70 3huy s LYS 48 Ca 0.00 0.89 0.00 0.00 -1.36 0.00 0.00 55.97 55.50 3huy s LYS 48 Cb 0.00 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 3huy s LYS 48 CO 0.00 0.59 0.00 0.00 -0.76 0.00 0.00 175.35 175.18 3huy n ALA 49 N 1.76 0.00 -0.35 5.17 0.00 -1.26 -3.26 120.51 122.57 3huy n ALA 49 Ca -0.08 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.66 3huy n ALA 49 Cb 0.50 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.51 3huy n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3huy h GLU 50 N 0.00 0.13 0.00 0.00 4.81 -1.96 0.48 114.58 118.04 3huy h GLU 50 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3huy h GLU 50 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3huy h GLU 50 CO 0.00 0.08 -0.20 1.05 -0.73 0.00 0.00 179.01 179.21 3huy h GLU 51 N 0.13 0.00 0.49 1.92 4.11 -1.98 1.73 114.58 120.98 3huy h GLU 51 Ca 0.80 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.21 3huy h GLU 51 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 3huy h GLU 51 CO -0.64 0.20 -0.24 0.00 0.07 0.00 0.00 179.01 178.41 3huy h ALA 52 N 1.80 -0.66 -0.23 1.06 0.00 -0.00 -3.09 119.26 118.14 3huy h ALA 52 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3huy h ALA 52 Cb 0.38 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3huy h ALA 52 CO 0.03 -0.72 0.02 -0.07 0.00 0.00 0.00 179.25 178.51 3huy h LEU 53 N -0.96 0.38 -0.81 0.00 3.38 -1.43 -3.22 115.31 112.64 3huy h LEU 53 Ca -0.07 -0.28 0.16 0.00 0.09 0.00 0.00 57.88 57.78 3huy h LEU 53 Cb 0.60 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.09 3huy h LEU 53 CO 0.11 0.56 -0.20 0.50 0.09 0.00 0.00 178.44 179.51 3huy h LYS 54 N 0.18 0.00 0.41 1.13 3.64 0.25 -0.91 116.57 121.27 3huy h LYS 54 Ca 0.07 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3huy h LYS 54 Cb 0.36 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3huy h LYS 54 CO 0.01 0.00 -0.40 0.82 -2.27 0.00 0.00 179.45 177.60 3huy h ILE 55 N 0.00 0.19 -0.89 2.00 1.08 -1.54 -1.96 117.51 116.38 3huy h ILE 55 Ca 0.39 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 65.10 3huy h ILE 55 Cb 0.60 0.19 -0.14 0.00 -3.07 0.00 0.00 36.82 34.39 3huy h ILE 55 CO -0.83 0.00 0.27 -0.03 -0.69 0.00 0.00 178.15 176.87 3huy h MET 56 N -0.83 0.22 -0.88 2.37 1.85 -1.27 0.68 114.93 117.07 3huy h MET 56 Ca -0.04 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.17 3huy h MET 56 Cb 0.74 -0.05 -0.14 0.00 0.43 0.00 0.00 31.60 32.57 3huy h MET 56 CO -0.06 0.15 -0.41 -0.09 -0.40 0.00 0.00 176.91 176.10 3huy h ARG 57 N 0.23 -0.05 -0.60 0.39 9.65 -0.42 0.35 114.38 123.93 3huy h ARG 57 Ca 0.57 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.41 3huy h ARG 57 Cb 1.17 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 3huy h ARG 57 CO -0.65 -0.03 0.18 -0.22 2.80 0.00 0.00 179.97 182.05 3huy h LYS 58 N -0.05 0.94 -0.03 0.20 1.63 0.46 -2.62 116.57 117.09 3huy h LYS 58 Ca 0.29 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3huy h LYS 58 Cb 0.57 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3huy h LYS 58 CO -0.90 0.84 -0.16 0.00 -3.45 0.00 0.00 179.45 175.78 3huy h ALA 59 N 1.05 -0.59 -0.39 5.00 0.00 0.90 0.33 119.26 125.55 3huy h ALA 59 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3huy h ALA 59 Cb 0.30 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3huy h ALA 59 CO -0.00 -0.65 -0.23 -1.91 0.00 0.00 0.00 179.25 176.46 3huy n GLU 60 N -3.43 -0.17 0.00 0.00 2.13 0.23 -0.38 120.64 119.02 3huy n GLU 60 Ca -0.02 1.08 0.00 0.00 0.66 0.00 0.00 57.16 58.88 3huy n GLU 60 Cb 0.12 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.23 3huy n GLU 60 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3huy n SER 61 N -3.88 0.00 -0.21 4.31 2.88 -0.95 -0.70 113.62 115.07 3huy n SER 61 Ca 0.01 0.69 0.26 0.00 -1.33 0.00 0.00 58.87 58.50 3huy n SER 61 Cb 0.10 -0.19 0.40 0.00 -0.75 0.00 0.00 64.21 63.78 3huy n SER 61 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3huy n LEU 62 N -1.53 0.00 0.06 2.46 0.00 0.11 0.12 117.00 118.22 3huy n LEU 62 Ca 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 56.01 56.63 3huy n LEU 62 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 43.42 43.13 3huy n LEU 62 CO 0.00 -0.69 0.23 0.40 0.00 0.00 0.00 177.39 177.33 3huy h ILE 63 N 0.00 0.42 -0.90 1.96 2.04 0.16 -3.24 117.51 117.94 3huy h ILE 63 Ca 0.46 -1.03 0.11 0.00 1.00 0.00 0.00 64.86 65.41 3huy h ILE 63 Cb 2.67 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.43 3huy h ILE 63 CO -0.00 0.12 0.58 0.44 0.00 0.00 0.00 178.15 179.29 3huy h ASP 64 N -1.00 0.77 -0.75 1.72 5.19 0.22 0.07 116.42 122.63 3huy h ASP 64 Ca -0.03 0.03 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 3huy h ASP 64 Cb 0.39 -0.13 -0.11 0.00 0.18 0.00 0.00 39.33 39.66 3huy h ASP 64 CO 0.04 0.43 0.17 0.11 -3.12 0.00 0.00 179.24 176.87 3huy h LYS 65 N 0.84 0.25 -0.02 3.56 1.79 -1.24 0.11 116.57 121.85 3huy h LYS 65 Ca 0.43 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.66 3huy h LYS 65 Cb 0.51 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3huy h LYS 65 CO -0.19 0.16 -0.93 0.00 -1.08 0.00 0.00 179.45 177.41 3huy h ALA 66 N 1.63 0.34 -0.16 3.86 0.00 -1.16 -3.17 119.26 120.61 3huy h ALA 66 Ca 0.43 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3huy h ALA 66 Cb 0.75 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3huy h ALA 66 CO -0.53 0.78 0.27 0.00 0.00 0.00 0.00 179.25 179.77 3huy h ALA 67 N 0.69 1.64 0.01 0.00 0.00 0.99 -0.51 119.26 122.07 3huy h ALA 67 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3huy h ALA 67 Cb 1.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3huy h ALA 67 CO 0.17 -0.35 -0.00 0.87 0.00 0.00 0.00 179.25 179.93 3huy h LYS 68 N 0.00 -0.01 0.00 0.00 1.57 -1.23 -3.41 116.57 113.49 3huy h LYS 68 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3huy h LYS 68 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3huy h LYS 68 CO -0.00 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.09 3huy n GLY 69 N 1.19 -2.81 0.30 3.86 0.00 -0.20 -4.90 105.19 102.63 3huy n GLY 69 Ca -0.09 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.27 3huy n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3huy n SER 70 N 0.00 1.62 -3.74 1.61 7.64 -1.26 -4.97 113.62 114.51 3huy n SER 70 Ca 0.00 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.57 3huy n SER 70 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3huy n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3huy n THR 71 N 0.41 0.00 -1.06 0.44 -1.04 -1.25 -4.86 114.28 106.93 3huy n THR 71 Ca 0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.70 3huy n THR 71 Cb 0.19 -0.17 0.08 0.00 -1.82 0.00 0.00 70.33 68.61 3huy n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3huy n LEU 72 N 0.00 -0.58 -3.89 -4.42 -0.00 -1.26 -4.89 117.00 101.96 3huy n LEU 72 Ca 0.00 0.45 -0.09 0.00 -0.00 0.00 0.00 56.01 56.36 3huy n LEU 72 Cb 0.00 -1.14 -0.06 0.00 -0.00 0.00 0.00 43.42 42.22 3huy n LEU 72 CO 0.00 -3.73 0.12 -1.00 -0.00 0.00 0.00 177.39 172.78 3huy s HIS 73 N -2.10 0.20 0.00 1.47 3.76 -1.26 -3.82 115.29 113.54 3huy s HIS 73 Ca 0.59 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 3huy s HIS 73 Cb -0.28 0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.55 3huy s HIS 73 CO 0.65 -0.84 0.00 0.36 -0.85 0.00 0.00 174.74 174.06 3huy n LYS 74 N -0.29 0.00 0.25 1.40 0.00 -1.26 -0.67 118.16 117.59 3huy n LYS 74 Ca -0.07 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.31 3huy n LYS 74 Cb 0.63 0.00 0.37 0.00 -0.00 0.00 0.00 35.03 36.02 3huy n LYS 74 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3huy h ASN 75 N 0.00 0.00 0.03 -5.58 4.21 -1.99 -0.66 115.58 111.59 3huy h ASN 75 Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 3huy h ASN 75 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3huy h ASN 75 CO 0.00 0.00 -0.02 0.00 -1.29 0.00 0.00 177.43 176.12 3huy h ALA 76 N 0.80 -0.04 -0.28 -0.83 0.00 -1.31 0.23 119.26 117.84 3huy h ALA 76 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3huy h ALA 76 Cb 1.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3huy h ALA 76 CO 0.00 -0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.39 3huy h ALA 77 N -0.17 2.14 0.65 0.00 0.00 -1.18 0.70 119.26 121.39 3huy h ALA 77 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3huy h ALA 77 Cb 0.69 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3huy h ALA 77 CO 0.01 -0.37 -0.31 0.00 0.00 0.00 0.00 179.25 178.58 3huy h ALA 78 N 1.81 -0.91 -0.76 0.00 0.00 -1.37 -2.76 119.26 115.28 3huy h ALA 78 Ca 0.13 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.00 3huy h ALA 78 Cb 0.58 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 3huy h ALA 78 CO -0.00 -0.85 0.28 -0.09 0.00 0.00 0.00 179.25 178.59 3huy h ARG 79 N -1.18 0.39 0.44 0.00 2.43 0.27 0.76 114.38 117.48 3huy h ARG 79 Ca -0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3huy h ARG 79 Cb 0.67 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3huy h ARG 79 CO 0.15 0.26 -0.45 0.00 -1.51 0.00 0.00 179.97 178.42 3huy h ARG 80 N 0.40 -0.86 0.10 0.20 2.47 0.22 -0.65 114.38 116.25 3huy h ARG 80 Ca 0.42 0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 59.20 3huy h ARG 80 Cb 0.68 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 3huy h ARG 80 CO -0.43 -0.57 -0.05 0.87 0.56 0.00 0.00 179.97 180.35 3huy h LYS 81 N -0.89 -0.12 -1.05 0.04 1.57 -1.10 0.97 116.57 115.99 3huy h LYS 81 Ca -0.05 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.01 3huy h LYS 81 Cb 0.77 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 3huy h LYS 81 CO -0.06 -0.01 0.67 0.66 -0.57 0.00 0.00 179.45 180.13 3huy h SER 82 N -0.21 0.47 0.03 0.86 4.64 0.55 0.13 113.55 120.03 3huy h SER 82 Ca -0.01 0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 3huy h SER 82 Cb 0.17 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3huy h SER 82 CO 0.02 0.07 -0.98 0.03 -0.87 0.00 0.00 176.83 175.10 3huy h ARG 83 N 0.41 0.07 0.00 4.77 3.08 -0.70 -2.99 114.38 119.02 3huy h ARG 83 Ca 0.62 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3huy h ARG 83 Cb 1.52 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.61 3huy h ARG 83 CO -0.33 1.06 -0.04 1.25 -1.07 0.00 0.00 179.97 180.84 3huy h LEU 84 N -0.79 -0.12 -1.82 3.04 7.12 0.22 -1.49 115.31 121.48 3huy h LEU 84 Ca -0.25 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 3huy h LEU 84 Cb 1.37 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.54 3huy h LEU 84 CO -0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 178.44 178.17 3huy h MET 85 N -0.05 0.00 0.00 1.25 -0.00 -1.03 0.14 114.93 115.25 3huy h MET 85 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3huy h MET 85 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.65 3huy h MET 85 CO -0.02 0.02 -0.00 -0.09 -0.00 0.00 0.00 176.91 176.82 3huy h ARG 86 N 0.00 0.00 0.00 -0.10 2.43 -1.17 -3.17 114.38 112.37 3huy h ARG 86 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3huy h ARG 86 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3huy h ARG 86 CO 0.00 0.00 -0.68 1.17 -1.51 0.00 0.00 179.97 178.95 3huy n LYS 87 N -3.08 0.47 -0.28 0.20 3.00 0.02 -3.72 118.16 114.76 3huy n LYS 87 Ca -0.02 0.40 0.01 0.00 -0.00 0.00 0.00 58.31 58.70 3huy n LYS 87 Cb 0.12 -1.58 0.05 0.00 0.00 0.00 0.00 35.03 33.63 3huy n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3huy n VAL 88 N -4.51 -0.37 0.36 3.15 0.31 -1.09 0.16 118.33 116.34 3huy n VAL 88 Ca -0.10 1.75 -0.18 0.00 -0.01 0.00 0.00 64.34 65.81 3huy n VAL 88 Cb 0.35 -2.35 -0.09 0.00 -0.91 0.00 0.00 33.84 30.85 3huy n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3huy h ARG 89 N 0.00 -0.88 0.00 5.55 2.43 -1.78 1.05 114.38 120.74 3huy h ARG 89 Ca 0.29 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3huy h ARG 89 Cb 0.48 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3huy h ARG 89 CO -0.76 -0.59 0.00 1.04 -1.51 0.00 0.00 179.97 178.16 3huy n GLN 90 N -5.49 0.00 0.05 0.20 1.13 0.41 -0.48 117.38 113.20 3huy n GLN 90 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3huy n GLN 90 Cb 0.38 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.54 3huy n GLN 90 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3huy n LEU 91 N -0.63 0.14 0.00 1.08 4.77 -0.37 -4.71 117.00 117.28 3huy n LEU 91 Ca 0.00 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3huy n LEU 91 Cb 0.00 0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3huy n LEU 91 CO 0.00 -0.54 0.29 -0.11 -1.33 0.00 0.00 177.39 175.70 3huy n LEU 92 N -3.07 0.00 -0.00 2.23 0.00 0.36 0.59 117.00 117.10 3huy n LEU 92 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.11 3huy n LEU 92 Cb 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.39 3huy n LEU 92 CO 0.00 0.00 -0.29 -1.84 0.00 0.00 0.00 177.39 175.26 3huy n GLU 93 N -0.78 0.38 -1.15 1.96 0.00 0.37 -1.43 120.64 119.99 3huy n GLU 93 Ca 0.03 -0.07 -0.34 0.00 0.00 0.00 0.00 57.16 56.78 3huy n GLU 93 Cb 0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 29.95 3huy n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3huy n ALA 94 N -1.74 5.38 -1.55 -1.84 0.00 0.20 -3.87 120.51 117.08 3huy n ALA 94 Ca 0.01 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.45 3huy n ALA 94 Cb 0.40 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.52 3huy n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huy n ALA 95 N 5.01 0.00 -0.12 0.00 0.00 -1.26 -4.96 120.51 119.18 3huy n ALA 95 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3huy n ALA 95 Cb 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3huy n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huy n GLY 96 N -1.87 -0.94 0.20 0.00 0.00 -0.52 -5.06 105.19 96.99 3huy n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huy n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy n ALA 97 N -1.83 -0.33 0.56 4.61 0.00 -1.18 -4.95 120.51 117.39 3huy n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huy n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huy n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3huy n PRO 98 N -0.09 0.58 0.30 0.00 -0.04 -1.26 -4.03 135.00 130.46 3huy n PRO 98 Ca 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 3huy n PRO 98 Cb 0.02 -1.21 0.95 0.00 -0.04 0.00 0.00 33.50 33.23 3huy n PRO 98 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3huy h LEU 99 N 1.47 0.00 -9.43 1.53 6.46 -2.00 -3.42 115.31 109.93 3huy h LEU 99 Ca 0.00 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.21 3huy h LEU 99 Cb 0.58 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.54 3huy h LEU 99 CO 0.00 0.00 1.12 -0.38 -0.62 0.00 0.00 178.44 178.56 3huy n ILE 100 N -3.15 0.47 -0.75 4.05 -0.00 -1.26 -4.88 119.36 113.85 3huy n ILE 100 Ca -0.01 -0.09 -0.25 0.00 -0.00 0.00 0.00 62.75 62.40 3huy n ILE 100 Cb 0.28 -2.08 -0.03 0.00 -0.00 0.00 0.00 39.64 37.81 3huy n ILE 100 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3huy n GLY 101 N 4.28 2.78 3.88 7.39 0.00 -1.26 -4.86 105.19 117.40 3huy n GLY 101 Ca 0.19 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 3huy n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huy s GLY 102 N 4.01 2.42 -0.13 -0.02 0.00 -1.26 -4.98 107.32 107.35 3huy s GLY 102 Ca 0.40 -1.27 -0.28 0.00 0.00 0.00 0.00 44.72 43.57 3huy s GLY 102 CO 0.01 -1.95 1.57 0.61 0.00 0.00 0.00 173.10 173.34 3huy n GLY 103 N -1.68 0.35 3.36 0.20 0.00 -1.26 -4.65 105.19 101.51 3huy n GLY 103 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.28 3huy n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huy s LEU 104 N 2.15 -0.85 -0.09 0.99 0.20 -1.26 -4.93 118.68 114.90 3huy s LEU 104 Ca 0.65 0.89 -0.30 0.00 0.69 0.00 0.00 54.13 56.06 3huy s LEU 104 Cb 0.11 1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 47.71 3huy s LEU 104 CO 0.30 -0.16 1.06 -0.94 -0.29 0.00 0.00 176.35 176.32 3huy s SER 105 N 2.73 7.20 0.00 3.68 1.04 -1.26 -5.04 113.70 122.04 3huy s SER 105 Ca 0.02 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.06 3huy s SER 105 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3huy s SER 105 CO -0.17 -0.48 0.50 0.00 0.98 0.00 0.00 173.24 174.07