#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam h LYS 3 N 0.00 0.40 0.45 -0.67 1.79 -2.07 -2.17 116.57 114.30 2qam h LYS 3 Ca 0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2qam h LYS 3 Cb 0.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2qam h LYS 3 CO 0.00 0.30 -0.22 -0.22 -1.08 0.00 0.00 179.45 178.24 2qam h LYS 4 N 0.38 -0.58 -0.25 3.15 3.64 -2.06 -2.45 116.57 118.39 2qam h LYS 4 Ca 0.11 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2qam h LYS 4 Cb 0.01 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2qam h LYS 4 CO -0.02 -0.31 0.48 0.77 -2.27 0.00 0.00 179.45 178.10 2qam h SER 5 N -0.75 0.00 0.16 4.20 0.02 -2.00 -2.35 113.55 112.83 2qam h SER 5 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2qam h SER 5 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2qam h SER 5 CO 0.10 0.00 -0.08 0.00 -1.14 0.00 0.00 176.83 175.71 2qam h ALA 6 N 1.27 -0.49 -0.83 3.77 0.00 -0.90 -3.25 119.26 118.83 2qam h ALA 6 Ca 0.12 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2qam h ALA 6 Cb 1.09 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2qam h ALA 6 CO -0.00 -0.48 -0.13 -0.09 0.00 0.00 0.00 179.25 178.56 2qam h ARG 7 N -0.43 0.03 -0.28 0.00 2.43 -1.30 -2.15 114.38 112.68 2qam h ARG 7 Ca -0.02 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2qam h ARG 7 Cb 0.17 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2qam h ARG 7 CO 0.04 0.02 -0.28 0.82 -1.51 0.00 0.00 179.97 179.06 2qam h ILE 8 N 0.03 0.00 -0.65 1.20 2.04 -1.60 0.39 117.51 118.91 2qam h ILE 8 Ca 0.42 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.45 2qam h ILE 8 Cb 0.71 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2qam h ILE 8 CO -0.81 0.00 0.45 0.08 0.00 0.00 0.00 178.15 177.87 2qam h ARG 9 N -0.14 0.16 -0.40 2.37 0.11 -1.43 0.15 114.38 115.20 2qam h ARG 9 Ca 0.05 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 2qam h ARG 9 Cb 0.27 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 2qam h ARG 9 CO -0.34 0.11 0.22 0.00 0.10 0.00 0.00 179.97 180.06 2qam h ARG 10 N 0.17 0.56 0.00 0.08 3.08 -0.58 -2.83 114.38 114.86 2qam h ARG 10 Ca 0.32 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2qam h ARG 10 Cb 1.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2qam h ARG 10 CO -0.05 0.44 -0.53 0.00 -1.07 0.00 0.00 179.97 178.76 2qam h ALA 11 N 1.08 0.68 -0.58 0.04 0.00 -0.54 -3.33 119.26 116.62 2qam h ALA 11 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.22 2qam h ALA 11 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qam h ALA 11 CO -0.02 0.00 0.54 1.15 0.00 0.00 0.00 179.25 180.91 2qam h THR 12 N 0.00 0.42 0.00 0.00 2.02 -0.50 0.13 112.91 114.98 2qam h THR 12 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qam h THR 12 Cb 0.84 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2qam h THR 12 CO 0.00 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.75 2qam n ARG 13 N -3.87 0.00 -0.31 6.66 3.00 -1.25 -3.16 116.66 117.73 2qam n ARG 13 Ca 0.11 0.06 0.22 0.00 -0.00 0.00 0.00 57.85 58.24 2qam n ARG 13 Cb 0.76 -0.88 0.51 0.00 0.00 0.00 0.00 32.46 32.84 2qam n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qam h ALA 14 N -2.00 2.22 0.00 5.13 0.00 -1.77 0.90 119.26 123.74 2qam h ALA 14 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qam h ALA 14 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qam h ALA 14 CO 0.00 -0.61 0.00 0.54 0.00 0.00 0.00 179.25 179.18 2qam n ARG 15 N -4.61 0.43 -0.01 0.00 1.74 0.45 -0.19 116.66 114.47 2qam n ARG 15 Ca 0.24 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.31 2qam n ARG 15 Cb 0.84 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 31.22 2qam n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qam n ARG 16 N -0.56 0.03 0.00 5.56 3.00 0.31 -4.16 116.66 120.84 2qam n ARG 16 Ca 0.01 0.01 0.11 0.00 -0.00 0.00 0.00 57.85 57.98 2qam n ARG 16 Cb 0.01 -1.01 0.56 0.00 0.00 0.00 0.00 32.46 32.02 2qam n ARG 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qam n LYS 17 N -2.56 0.21 -0.09 -0.14 0.00 -0.71 -1.14 118.16 113.74 2qam n LYS 17 Ca -0.02 0.08 -0.17 0.00 0.00 0.00 0.00 58.31 58.20 2qam n LYS 17 Cb 0.52 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.97 2qam n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2qam h LEU 18 N 0.00 0.00 -0.34 3.14 5.85 -0.80 -3.05 115.31 120.11 2qam h LEU 18 Ca 0.00 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.38 2qam h LEU 18 Cb 0.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2qam h LEU 18 CO 0.00 1.26 0.16 -0.61 -0.34 0.00 0.00 178.44 178.91 2qam h GLN 19 N -1.00 0.32 -0.72 1.25 4.15 -1.69 -2.01 115.11 115.41 2qam h GLN 19 Ca -0.24 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.24 2qam h GLN 19 Cb 1.06 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.61 2qam h GLN 19 CO -0.14 0.21 0.39 1.49 -1.93 0.00 0.00 178.83 178.84 2qam h GLU 20 N 0.33 0.67 0.00 1.69 4.22 -1.31 0.30 114.58 120.48 2qam h GLU 20 Ca 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.55 2qam h GLU 20 Cb 0.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2qam h GLU 20 CO -0.11 0.44 0.00 1.28 -2.18 0.00 0.00 179.01 178.44 2qam n LEU 21 N -4.80 0.00 -2.21 1.64 4.77 -0.79 -4.81 117.00 110.80 2qam n LEU 21 Ca 0.10 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2qam n LEU 21 Cb 0.22 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2qam n LEU 21 CO 0.27 -0.08 -0.15 0.61 -1.33 0.00 0.00 177.39 176.71 2qam n GLY 22 N -0.24 -0.14 3.95 -0.72 0.00 0.10 -4.93 105.19 103.21 2qam n GLY 22 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2qam n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qam s ALA 23 N -2.50 3.74 -0.37 4.61 0.00 -1.17 -4.86 121.76 121.20 2qam s ALA 23 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 2qam s ALA 23 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 21.05 2qam s ALA 23 CO 0.00 -0.08 0.68 0.95 0.00 0.00 0.00 175.76 177.31 2qam s THR 24 N -2.34 4.84 0.15 0.00 -4.23 -1.26 -4.38 115.64 108.41 2qam s THR 24 Ca 0.41 0.59 0.01 0.00 -1.18 0.00 0.00 61.69 61.52 2qam s THR 24 Cb -0.10 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2qam s THR 24 CO 0.36 -0.39 0.30 0.00 -0.54 0.00 0.00 174.62 174.35 2qam s ARG 25 N 2.84 3.47 -0.49 3.99 1.70 -1.24 -1.16 118.95 128.05 2qam s ARG 25 Ca 0.26 -0.48 -0.02 0.00 -0.47 0.00 0.00 55.73 55.02 2qam s ARG 25 Cb -0.14 -2.94 0.13 0.00 -0.57 0.00 0.00 34.95 31.43 2qam s ARG 25 CO 0.16 0.50 0.29 -1.17 -1.08 0.00 0.00 175.30 174.00 2qam s LEU 26 N -3.10 5.13 0.58 -1.89 2.96 0.33 -2.29 118.68 120.41 2qam s LEU 26 Ca 0.36 -2.43 -0.20 0.00 -0.22 0.00 0.00 54.13 51.64 2qam s LEU 26 Cb -0.11 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2qam s LEU 26 CO 0.28 -0.44 1.25 -0.69 -1.32 0.00 0.00 176.35 175.43 2qam s VAL 27 N 0.56 2.48 -0.37 1.68 1.01 -0.55 -2.88 120.40 122.33 2qam s VAL 27 Ca 0.12 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2qam s VAL 27 Cb -0.22 -3.14 0.15 0.00 0.00 0.00 0.00 36.38 33.18 2qam s VAL 27 CO -0.04 -0.05 0.26 0.54 0.00 0.00 0.00 175.10 175.82 2qam s VAL 28 N -1.50 0.13 0.37 2.92 0.11 -1.19 -1.81 120.40 119.42 2qam s VAL 28 Ca 0.76 -1.87 -0.25 0.00 -2.93 0.00 0.00 61.98 57.69 2qam s VAL 28 Cb -0.33 -1.09 -0.10 0.00 -1.53 0.00 0.00 36.38 33.33 2qam s VAL 28 CO 0.37 -1.01 0.99 -2.28 -3.33 0.00 0.00 175.10 169.84 2qam s HIS 29 N 0.84 3.48 0.12 1.54 5.65 -1.22 -4.68 115.29 121.03 2qam s HIS 29 Ca 0.22 1.71 0.05 0.00 0.25 0.00 0.00 55.06 57.28 2qam s HIS 29 Cb -0.15 -2.99 -0.04 0.00 -1.18 0.00 0.00 32.58 28.22 2qam s HIS 29 CO -0.05 -0.16 -0.11 0.50 -0.65 0.00 0.00 174.74 174.27 2qam s ARG 30 N -2.37 0.97 -0.02 2.88 3.00 -1.26 -0.61 118.95 121.54 2qam s ARG 30 Ca 0.55 -1.29 -0.29 0.00 -1.00 0.00 0.00 55.73 53.70 2qam s ARG 30 Cb -0.19 -0.66 0.09 0.00 0.00 0.00 0.00 34.95 34.19 2qam s ARG 30 CO 0.24 0.10 0.77 -0.08 0.00 0.00 0.00 175.30 176.34 2qam s THR 31 N -2.69 0.00 0.20 4.11 -1.32 -0.49 -5.00 115.64 110.45 2qam s THR 31 Ca 0.10 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.35 2qam s THR 31 Cb -0.01 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.09 2qam s THR 31 CO 0.01 0.00 1.55 -0.65 -2.21 0.00 0.00 174.62 173.32 2qam h PRO 32 N 2.48 -0.03 -0.45 7.08 0.11 -1.99 -1.69 132.00 137.50 2qam h PRO 32 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2qam h PRO 32 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qam h PRO 32 CO 0.35 -0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.66 2qam n ARG 33 N -5.39 2.37 -3.76 1.05 3.00 -1.26 -4.79 116.66 107.88 2qam n ARG 33 Ca 0.06 -2.09 -0.10 0.00 -0.01 0.00 0.00 57.85 55.72 2qam n ARG 33 Cb 0.35 -1.48 -0.04 0.00 0.00 0.00 0.00 32.46 31.28 2qam n ARG 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2qam s HIS 34 N -1.40 -0.07 -0.02 -1.55 3.76 -0.64 -4.53 115.29 110.84 2qam s HIS 34 Ca 0.39 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2qam s HIS 34 Cb 0.22 0.35 0.01 0.00 1.11 0.00 0.00 32.58 34.26 2qam s HIS 34 CO 0.30 -0.90 -0.03 -1.50 -0.85 0.00 0.00 174.74 171.76 2qam s ILE 35 N -3.88 0.30 0.32 0.60 -1.16 -1.26 -1.39 121.20 114.73 2qam s ILE 35 Ca 0.10 -0.09 0.05 0.00 -0.51 0.00 0.00 60.65 60.20 2qam s ILE 35 Cb -0.01 -0.31 -0.06 0.00 0.61 0.00 0.00 42.46 42.69 2qam s ILE 35 CO -0.03 0.12 0.01 -0.31 -2.81 0.00 0.00 174.94 171.93 2qam s TYR 36 N 0.37 2.03 -0.30 3.50 4.12 0.22 -2.25 117.35 125.05 2qam s TYR 36 Ca -0.04 -0.84 -0.17 0.00 0.02 0.00 0.00 57.07 56.05 2qam s TYR 36 Cb -0.07 -1.30 0.19 0.00 -1.52 0.00 0.00 41.96 39.26 2qam s TYR 36 CO -0.01 0.16 1.20 0.00 0.02 0.00 0.00 175.55 176.92 2qam s ALA 37 N -3.13 -2.89 -0.13 3.71 0.00 -1.25 -3.37 121.76 114.70 2qam s ALA 37 Ca 0.34 1.94 -0.11 0.00 0.00 0.00 0.00 51.96 54.12 2qam s ALA 37 Cb 0.07 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.14 2qam s ALA 37 CO 0.15 -0.68 0.35 1.14 0.00 0.00 0.00 175.76 176.71 2qam s GLN 38 N 1.69 0.39 -0.38 0.00 -2.07 -0.75 -1.60 119.66 116.95 2qam s GLN 38 Ca -0.04 0.53 -0.19 0.00 -1.82 0.00 0.00 55.36 53.84 2qam s GLN 38 Cb -0.02 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2qam s GLN 38 CO -0.14 -0.07 0.55 0.08 -1.32 0.00 0.00 175.29 174.39 2qam s VAL 39 N 0.39 4.96 0.02 3.63 1.01 -0.88 -1.48 120.40 128.06 2qam s VAL 39 Ca -0.02 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2qam s VAL 39 Cb -0.04 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2qam s VAL 39 CO -0.02 -0.34 0.15 -0.63 0.00 0.00 0.00 175.10 174.27 2qam s ILE 40 N 2.51 5.14 0.90 2.22 1.01 -0.97 0.54 121.20 132.55 2qam s ILE 40 Ca 0.20 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 2qam s ILE 40 Cb -0.15 -3.43 0.13 0.00 0.01 0.00 0.00 42.46 39.02 2qam s ILE 40 CO 0.15 0.25 1.09 0.00 0.00 0.00 0.00 174.94 176.43 2qam s ALA 41 N -1.36 1.47 0.32 9.38 0.00 -0.39 -3.66 121.76 127.52 2qam s ALA 41 Ca 0.29 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.42 2qam s ALA 41 Cb -0.13 -3.25 0.80 0.00 0.00 0.00 0.00 23.12 20.55 2qam s ALA 41 CO 0.21 -2.45 1.78 -1.35 0.00 0.00 0.00 175.76 173.95 2qam h PRO 42 N -1.62 0.68 0.00 0.00 0.11 -1.89 0.39 132.00 129.66 2qam h PRO 42 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qam h PRO 42 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qam h PRO 42 CO 0.52 0.45 0.00 0.27 -0.21 0.00 0.00 178.00 179.02 2qam n ASN 43 N -4.74 0.00 0.00 -2.05 0.23 -1.26 -4.84 115.26 102.60 2qam n ASN 43 Ca 0.23 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 2qam n ASN 43 Cb 0.62 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 2qam n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qam n GLY 44 N -0.16 0.00 0.12 4.83 0.00 0.14 -4.75 105.19 105.36 2qam n GLY 44 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2qam n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qam n SER 45 N -0.34 1.91 -4.81 1.61 7.64 -1.26 -4.93 113.62 113.43 2qam n SER 45 Ca 0.00 0.40 -0.37 0.00 1.01 0.00 0.00 58.87 59.91 2qam n SER 45 Cb 0.32 -0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 2qam n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qam s GLU 46 N -2.47 3.85 0.25 1.43 -1.05 -1.26 -5.00 118.70 114.45 2qam s GLU 46 Ca -0.32 0.06 -0.06 0.00 -0.15 0.00 0.00 54.97 54.50 2qam s GLU 46 Cb 0.09 -3.28 -0.06 0.00 -0.44 0.00 0.00 34.13 30.44 2qam s GLU 46 CO 0.50 0.57 0.53 0.08 0.95 0.00 0.00 175.26 177.89 2qam s VAL 47 N -0.51 5.01 -0.18 1.83 1.01 -1.26 -1.27 120.40 125.03 2qam s VAL 47 Ca 0.17 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 2qam s VAL 47 Cb -0.13 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 2qam s VAL 47 CO 0.06 -0.20 -0.25 0.18 0.00 0.00 0.00 175.10 174.89 2qam n LEU 48 N -0.56 1.36 -4.29 3.92 4.77 0.19 -4.86 117.00 117.53 2qam n LEU 48 Ca -0.01 0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 2qam n LEU 48 Cb 0.53 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 2qam n LEU 48 CO 0.47 0.34 -0.19 0.68 -1.33 0.00 0.00 177.39 177.36 2qam s VAL 49 N -2.37 0.19 -0.24 4.08 -7.23 -1.14 -4.98 120.40 108.72 2qam s VAL 49 Ca -0.26 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.63 2qam s VAL 49 Cb 0.10 -2.51 0.14 0.00 0.56 0.00 0.00 36.38 34.67 2qam s VAL 49 CO 0.33 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 176.24 2qam s ALA 50 N -3.70 -2.01 -0.32 1.32 0.00 -1.26 -2.07 121.76 113.72 2qam s ALA 50 Ca 0.37 1.74 0.04 0.00 0.00 0.00 0.00 51.96 54.12 2qam s ALA 50 Cb 0.05 -1.22 0.18 0.00 0.00 0.00 0.00 23.12 22.13 2qam s ALA 50 CO 0.18 -0.24 0.50 0.00 0.00 0.00 0.00 175.76 176.20 2qam s ALA 51 N -0.48 -1.72 0.05 0.00 0.00 -0.63 -4.81 121.76 114.17 2qam s ALA 51 Ca 0.03 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.43 2qam s ALA 51 Cb -0.03 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2qam s ALA 51 CO -0.05 -1.90 -0.13 -1.54 0.00 0.00 0.00 175.76 172.14 2qam s SER 52 N 2.42 4.15 0.48 0.00 1.04 -1.26 -3.89 113.70 116.64 2qam s SER 52 Ca 0.11 -0.35 0.28 0.00 0.48 0.00 0.00 55.95 56.48 2qam s SER 52 Cb -0.10 -0.78 1.54 0.00 0.10 0.00 0.00 66.02 66.77 2qam s SER 52 CO -0.22 0.24 1.85 0.71 0.98 0.00 0.00 173.24 176.80 2qam h THR 53 N 3.74 0.00 0.00 2.02 1.35 -1.80 -0.14 112.91 118.07 2qam h THR 53 Ca -0.48 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.32 2qam h THR 53 Cb 1.16 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 2qam h THR 53 CO 0.50 0.00 -0.30 1.62 -0.25 0.00 0.00 175.52 177.09 2qam h VAL 54 N 0.00 0.91 -2.68 6.82 3.04 -1.95 -3.30 116.25 119.09 2qam h VAL 54 Ca 0.00 -1.15 -0.55 0.00 -1.01 0.00 0.00 66.70 63.99 2qam h VAL 54 Cb 0.22 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2qam h VAL 54 CO 0.00 0.29 1.04 -1.61 -1.01 0.00 0.00 177.57 176.28 2qam s GLU 55 N -3.97 4.19 0.31 4.17 2.02 -0.07 -4.83 118.70 120.53 2qam s GLU 55 Ca -0.02 2.08 0.07 0.00 0.02 0.00 0.00 54.97 57.13 2qam s GLU 55 Cb 0.13 -3.92 0.85 0.00 0.10 0.00 0.00 34.13 31.28 2qam s GLU 55 CO 0.67 -0.81 1.69 -0.22 0.02 0.00 0.00 175.26 176.61 2qam h LYS 56 N 9.20 0.40 -0.18 1.61 3.64 -1.88 0.15 116.57 129.51 2qam h LYS 56 Ca -0.37 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.04 2qam h LYS 56 Cb 1.16 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2qam h LYS 56 CO 0.96 0.27 0.68 0.00 -2.27 0.00 0.00 179.45 179.09 2qam h ALA 57 N 1.75 1.86 0.00 5.00 0.00 -1.94 -1.22 119.26 124.71 2qam h ALA 57 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2qam h ALA 57 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qam h ALA 57 CO -0.54 -0.77 -0.97 -0.89 0.00 0.00 0.00 179.25 176.07 2qam n ILE 58 N -2.90 0.00 -0.07 0.00 5.41 0.32 -4.62 119.36 117.50 2qam n ILE 58 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.81 2qam n ILE 58 Cb 0.76 -0.82 0.37 0.00 -0.71 0.00 0.00 39.64 39.24 2qam n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qam h ALA 59 N 0.00 1.63 0.18 -1.39 0.00 -0.02 -1.34 119.26 118.33 2qam h ALA 59 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qam h ALA 59 Cb 0.97 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qam h ALA 59 CO 0.00 0.34 -0.09 0.93 0.00 0.00 0.00 179.25 180.44 2qam h GLU 60 N 0.71 -0.23 0.00 0.00 4.39 -1.53 -3.22 114.58 114.70 2qam h GLU 60 Ca 0.19 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2qam h GLU 60 Cb -0.08 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2qam h GLU 60 CO -0.04 -0.16 0.05 1.04 -1.16 0.00 0.00 179.01 178.74 2qam n GLN 61 N -3.78 0.00 0.00 2.33 1.13 -1.22 -4.55 117.38 111.29 2qam n GLN 61 Ca -0.03 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2qam n GLN 61 Cb 0.10 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.90 2qam n GLN 61 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2qam n LEU 62 N -1.29 0.00 0.16 1.08 -0.00 -0.51 -5.09 117.00 111.36 2qam n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2qam n LEU 62 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2qam n LEU 62 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 2qam n LYS 63 N 0.00 0.00 -3.45 1.96 4.81 -1.26 -5.06 118.16 115.15 2qam n LYS 63 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2qam n LYS 63 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2qam n LYS 63 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2qam s TYR 64 N -2.00 -0.78 -0.37 5.64 5.04 -1.26 -5.10 117.35 118.52 2qam s TYR 64 Ca 0.00 1.00 -0.33 0.00 -2.44 0.00 0.00 57.07 55.30 2qam s TYR 64 Cb 0.00 0.08 -0.10 0.00 0.35 0.00 0.00 41.96 42.29 2qam s TYR 64 CO 0.00 -0.64 2.25 0.25 -1.34 0.00 0.00 175.55 176.07 2qam n THR 65 N 5.37 0.18 0.00 4.34 -2.24 -1.26 -0.44 114.28 120.23 2qam n THR 65 Ca -0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2qam n THR 65 Cb 0.50 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 2qam n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qam n GLY 66 N 6.34 1.43 1.59 3.38 0.00 -1.26 -3.75 105.19 112.92 2qam n GLY 66 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 2qam n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qam n ASN 67 N 0.00 3.37 0.00 1.61 4.05 0.42 -4.92 115.26 119.79 2qam n ASN 67 Ca 0.00 -2.78 0.00 0.00 0.45 0.00 0.00 54.58 52.25 2qam n ASN 67 Cb 0.00 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 40.35 2qam n ASN 67 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2qam n LYS 68 N -0.29 0.00 0.13 1.20 4.81 -1.26 -3.36 118.16 119.40 2qam n LYS 68 Ca 0.29 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.84 2qam n LYS 68 Cb 1.07 0.00 0.50 0.00 0.02 0.00 0.00 35.03 36.62 2qam n LYS 68 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2qam n ASP 69 N 3.12 0.57 0.22 3.14 3.85 -1.26 0.40 116.55 126.59 2qam n ASP 69 Ca 0.00 0.69 0.10 0.00 -0.71 0.00 0.00 54.79 54.87 2qam n ASP 69 Cb 0.00 -0.79 0.41 0.00 -1.35 0.00 0.00 41.12 39.38 2qam n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qam h ALA 70 N 2.17 0.97 0.06 2.12 0.00 -1.83 -2.27 119.26 120.48 2qam h ALA 70 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 2qam h ALA 70 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qam h ALA 70 CO 0.00 0.26 -1.35 0.00 0.00 0.00 0.00 179.25 178.16 2qam h ALA 71 N 1.79 0.24 -1.02 0.00 0.00 -0.35 -3.32 119.26 116.60 2qam h ALA 71 Ca -0.00 -1.15 0.26 0.00 0.00 0.00 0.00 54.91 54.02 2qam h ALA 71 Cb 0.82 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 2qam h ALA 71 CO 0.03 0.80 0.62 0.00 0.00 0.00 0.00 179.25 180.70 2qam h ALA 72 N -0.20 1.94 0.20 0.00 0.00 -1.11 0.65 119.26 120.74 2qam h ALA 72 Ca -0.32 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qam h ALA 72 Cb 1.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2qam h ALA 72 CO -0.05 -0.41 -0.16 0.00 0.00 0.00 0.00 179.25 178.64 2qam h ALA 73 N 1.70 -0.35 -0.99 0.00 0.00 -1.54 -0.56 119.26 117.52 2qam h ALA 73 Ca 0.64 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.53 2qam h ALA 73 Cb 1.35 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 2qam h ALA 73 CO -0.43 -0.71 0.65 0.28 0.00 0.00 0.00 179.25 179.04 2qam h VAL 74 N -0.37 1.16 0.17 0.00 2.07 -0.41 0.82 116.25 119.70 2qam h VAL 74 Ca -0.01 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2qam h VAL 74 Cb 0.33 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 2qam h VAL 74 CO -0.01 0.23 -0.47 1.23 0.02 0.00 0.00 177.57 178.56 2qam h GLY 75 N 1.25 -1.02 1.09 2.17 0.00 0.11 -0.07 103.07 106.59 2qam h GLY 75 Ca 0.40 0.57 -0.03 0.00 0.00 0.00 0.00 47.33 48.27 2qam h GLY 75 CO -0.13 -0.28 0.42 1.70 0.00 0.00 0.00 176.54 178.25 2qam h LYS 76 N -0.74 1.18 -0.49 4.80 3.64 -0.84 -2.65 116.57 121.47 2qam h LYS 76 Ca 0.00 -0.16 0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2qam h LYS 76 Cb 0.74 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 2qam h LYS 76 CO -0.24 0.89 -0.23 0.00 -2.27 0.00 0.00 179.45 177.61 2qam h ALA 77 N 1.28 0.12 -0.17 5.00 0.00 0.05 0.33 119.26 125.88 2qam h ALA 77 Ca 0.29 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.41 2qam h ALA 77 Cb 0.08 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2qam h ALA 77 CO -0.04 -0.56 -0.11 0.28 0.00 0.00 0.00 179.25 178.82 2qam h VAL 78 N -0.12 0.67 -0.53 0.00 2.07 -0.69 -1.65 116.25 116.00 2qam h VAL 78 Ca 0.23 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.85 2qam h VAL 78 Cb 0.47 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2qam h VAL 78 CO -0.56 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.06 2qam h ALA 79 N 1.03 0.54 -0.18 1.67 0.00 -0.75 0.24 119.26 121.80 2qam h ALA 79 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qam h ALA 79 Cb 0.25 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qam h ALA 79 CO -0.24 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 179.04 2qam n GLU 80 N -5.21 0.00 0.04 0.00 -0.58 0.96 -2.58 120.64 113.27 2qam n GLU 80 Ca 0.07 0.81 -0.11 0.00 -0.42 0.00 0.00 57.16 57.51 2qam n GLU 80 Cb 0.29 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.62 2qam n GLU 80 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qam h ARG 81 N 0.00 -0.44 -4.74 3.49 -0.00 -1.15 -3.10 114.38 108.43 2qam h ARG 81 Ca 0.00 0.03 -0.57 0.00 -0.50 0.00 0.00 59.98 58.94 2qam h ARG 81 Cb 0.00 0.10 0.05 0.00 0.00 0.00 0.00 29.97 30.12 2qam h ARG 81 CO 0.00 -0.30 1.87 0.00 0.00 0.00 0.00 179.97 181.54 2qam n ALA 82 N -2.81 2.54 0.02 0.04 0.00 0.82 -2.32 120.51 118.81 2qam n ALA 82 Ca -0.05 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.26 2qam n ALA 82 Cb 0.27 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.09 2qam n ALA 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qam n LEU 83 N 9.25 -0.44 0.08 0.00 7.94 -1.15 -4.53 117.00 128.15 2qam n LEU 83 Ca 0.48 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.61 2qam n LEU 83 Cb 0.42 0.63 0.32 0.00 0.53 0.00 0.00 43.42 45.31 2qam n LEU 83 CO 1.00 -0.05 0.83 -0.08 -1.11 0.00 0.00 177.39 177.98 2qam h GLU 84 N 0.00 0.31 0.00 1.96 4.81 -1.43 0.49 114.58 120.72 2qam h GLU 84 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2qam h GLU 84 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2qam h GLU 84 CO 0.00 0.49 0.00 1.63 -0.73 0.00 0.00 179.01 180.40 2qam n LYS 85 N -4.21 0.01 -0.51 1.92 4.76 -1.08 -4.80 118.16 114.25 2qam n LYS 85 Ca -0.00 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 2qam n LYS 85 Cb 0.32 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2qam n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qam n GLY 86 N -0.38 0.75 3.71 0.72 0.00 0.17 -5.04 105.19 105.13 2qam n GLY 86 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2qam n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qam s ILE 87 N -2.63 4.96 0.13 -0.61 -1.09 -1.25 -4.88 121.20 115.83 2qam s ILE 87 Ca 0.00 1.74 -0.25 0.00 -2.23 0.00 0.00 60.65 59.91 2qam s ILE 87 Cb 0.00 -4.17 0.07 0.00 -1.58 0.00 0.00 42.46 36.77 2qam s ILE 87 CO 0.00 0.20 0.82 -0.75 -1.23 0.00 0.00 174.94 173.98 2qam s LYS 88 N 0.93 1.20 -0.28 2.79 2.20 -1.26 -2.95 119.74 122.37 2qam s LYS 88 Ca 0.44 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2qam s LYS 88 Cb -0.19 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 2qam s LYS 88 CO 0.23 -0.54 0.15 -0.25 -0.36 0.00 0.00 175.35 174.58 2qam n ASP 89 N -0.38 -6.92 -4.07 1.43 10.43 -1.17 -4.89 116.55 110.98 2qam n ASP 89 Ca -0.09 0.96 -0.08 0.00 2.57 0.00 0.00 54.79 58.15 2qam n ASP 89 Cb 0.62 -4.57 -0.10 0.00 1.84 0.00 0.00 41.12 38.90 2qam n ASP 89 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2qam s VAL 90 N -1.63 0.20 -0.01 2.53 -7.23 -0.81 -4.79 120.40 108.66 2qam s VAL 90 Ca 0.06 -1.61 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 2qam s VAL 90 Cb -0.02 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 2qam s VAL 90 CO 0.64 -0.88 0.61 -0.44 -0.31 0.00 0.00 175.10 174.71 2qam s SER 91 N -2.59 6.98 -0.16 4.85 0.01 -0.31 -4.57 113.70 117.91 2qam s SER 91 Ca 0.02 1.17 -0.23 0.00 1.31 0.00 0.00 55.95 58.22 2qam s SER 91 Cb 0.04 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 2qam s SER 91 CO -0.08 0.08 0.73 0.12 0.41 0.00 0.00 173.24 174.50 2qam s PHE 92 N -0.10 3.43 -0.81 2.43 5.36 -1.26 -0.51 117.98 126.51 2qam s PHE 92 Ca 0.32 1.13 -0.05 0.00 -0.96 0.00 0.00 56.93 57.37 2qam s PHE 92 Cb -0.18 -2.90 0.21 0.00 -0.34 0.00 0.00 43.02 39.81 2qam s PHE 92 CO 0.17 -0.15 0.69 0.34 -1.46 0.00 0.00 175.22 174.81 2qam s ASP 93 N 1.10 6.01 0.12 6.13 3.68 -1.14 -4.89 116.67 127.68 2qam s ASP 93 Ca 0.35 -3.22 0.06 0.00 2.13 0.00 0.00 52.55 51.87 2qam s ASP 93 Cb -0.16 -1.98 0.34 0.00 -1.45 0.00 0.00 42.92 39.67 2qam s ASP 93 CO 0.13 -0.33 1.10 -2.11 0.13 0.00 0.00 175.17 174.09 2qam n ARG 94 N 3.07 0.04 -3.57 4.34 1.85 -1.26 -3.18 116.66 117.95 2qam n ARG 94 Ca 0.16 0.47 -0.22 0.00 -1.00 0.00 0.00 57.85 57.25 2qam n ARG 94 Cb 0.39 -1.77 0.02 0.00 -1.05 0.00 0.00 32.46 30.06 2qam n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qam n SER 95 N -1.67 -5.79 0.00 2.89 7.64 -1.26 -1.67 113.62 113.75 2qam n SER 95 Ca -0.00 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2qam n SER 95 Cb 0.14 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.01 2qam n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qam n GLY 96 N -1.70 0.35 3.57 0.23 0.00 -1.26 -4.84 105.19 101.54 2qam n GLY 96 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2qam n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qam s PHE 97 N -1.54 3.10 -0.88 1.61 0.08 -0.67 -4.90 117.98 114.78 2qam s PHE 97 Ca 0.00 0.43 -0.27 0.00 0.12 0.00 0.00 56.93 57.22 2qam s PHE 97 Cb 0.00 -3.38 -0.20 0.00 -0.57 0.00 0.00 43.02 38.87 2qam s PHE 97 CO 0.00 -0.75 2.55 0.94 -0.10 0.00 0.00 175.22 177.86 2qam n GLN 98 N 6.37 0.25 -1.54 0.44 0.00 -1.26 -4.76 117.38 116.89 2qam n GLN 98 Ca 0.02 -0.05 -0.36 0.00 -0.00 0.00 0.00 57.00 56.61 2qam n GLN 98 Cb 0.48 -1.96 -0.06 0.00 0.00 0.00 0.00 30.24 28.69 2qam n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qam n TYR 99 N 11.40 1.18 0.00 3.69 4.19 -1.26 -4.03 117.16 132.33 2qam n TYR 99 Ca 0.59 0.18 0.00 0.00 3.31 0.00 0.00 57.90 61.98 2qam n TYR 99 Cb 0.18 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.46 2qam n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qam n HIS 100 N 14.59 0.00 0.00 2.98 -0.00 -1.26 -4.84 115.22 126.69 2qam n HIS 100 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2qam n HIS 100 Cb 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 2qam n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qam n GLY 101 N -0.81 0.42 0.28 1.57 0.00 -1.26 -4.51 105.19 100.88 2qam n GLY 101 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2qam n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qam h ARG 102 N 0.00 0.50 -0.24 1.61 3.08 -1.90 0.72 114.38 118.15 2qam h ARG 102 Ca 0.00 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 2qam h ARG 102 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2qam h ARG 102 CO 0.00 0.47 -0.50 0.28 -1.07 0.00 0.00 179.97 179.15 2qam h VAL 103 N 0.49 1.30 -0.22 2.04 2.07 -1.90 -2.69 116.25 117.34 2qam h VAL 103 Ca 0.12 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 2qam h VAL 103 Cb 0.21 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2qam h VAL 103 CO -0.00 0.54 0.14 -0.61 0.02 0.00 0.00 177.57 177.66 2qam h GLN 104 N 0.52 0.30 -7.36 1.57 4.15 -1.53 -3.25 115.11 109.51 2qam h GLN 104 Ca 0.02 -0.03 -0.46 0.00 0.77 0.00 0.00 58.65 58.96 2qam h GLN 104 Cb 1.05 -0.06 0.16 0.00 0.21 0.00 0.00 27.48 28.83 2qam h GLN 104 CO 0.10 0.24 0.21 0.00 -1.93 0.00 0.00 178.83 177.45 2qam s ALA 105 N -6.02 1.10 0.00 3.38 0.00 0.15 -2.27 121.76 118.09 2qam s ALA 105 Ca -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2qam s ALA 105 Cb 0.08 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2qam s ALA 105 CO 0.70 -2.73 0.00 1.47 0.00 0.00 0.00 175.76 175.20 2qam n LEU 106 N -4.11 0.00 0.00 0.00 -0.00 -1.26 -4.54 117.00 107.10 2qam n LEU 106 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2qam n LEU 106 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2qam n LEU 106 CO 0.57 0.00 0.12 0.00 -0.00 0.00 0.00 177.39 178.08 2qam n ALA 107 N 0.00 -0.03 0.01 1.47 0.00 -1.11 0.54 120.51 121.39 2qam n ALA 107 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 2qam n ALA 107 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 2qam n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qam h ASP 108 N 0.00 0.00 0.59 0.00 -0.00 -1.69 0.63 116.42 115.95 2qam h ASP 108 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 2qam h ASP 108 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.34 2qam h ASP 108 CO 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 179.24 178.96 2qam h ALA 109 N 1.56 -0.79 -0.17 4.15 0.00 -1.78 0.79 119.26 123.02 2qam h ALA 109 Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qam h ALA 109 Cb 1.20 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2qam h ALA 109 CO -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 179.25 178.43 2qam h ALA 110 N -0.72 1.72 -0.05 0.00 0.00 0.25 0.40 119.26 120.86 2qam h ALA 110 Ca -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qam h ALA 110 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qam h ALA 110 CO 0.13 0.22 0.02 -0.09 0.00 0.00 0.00 179.25 179.53 2qam h ARG 111 N 0.24 0.07 -0.28 0.00 2.43 0.51 -2.43 114.38 114.92 2qam h ARG 111 Ca 0.06 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2qam h ARG 111 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2qam h ARG 111 CO 0.00 0.20 -0.18 1.49 -1.51 0.00 0.00 179.97 179.97 2qam h GLU 112 N -0.08 0.49 0.00 0.20 4.22 0.16 -2.09 114.58 117.48 2qam h GLU 112 Ca 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.29 2qam h GLU 112 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2qam h GLU 112 CO -0.00 0.66 0.06 0.00 -2.18 0.00 0.00 179.01 177.55 2qam h ALA 113 N 1.36 1.04 0.00 2.92 0.00 0.20 -3.44 119.26 121.35 2qam h ALA 113 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qam h ALA 113 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qam h ALA 113 CO 0.04 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2qam n GLY 114 N -1.27 1.37 3.50 0.00 0.00 -0.79 -4.92 105.19 103.07 2qam n GLY 114 Ca -0.01 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 2qam n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qam n LEU 115 N 0.00 0.48 -4.45 0.99 -0.00 -0.96 -4.91 117.00 108.15 2qam n LEU 115 Ca 0.00 1.08 -0.44 0.00 -0.00 0.00 0.00 56.01 56.65 2qam n LEU 115 Cb 0.00 -1.15 -0.08 0.00 -0.00 0.00 0.00 43.42 42.19 2qam n LEU 115 CO 0.00 -2.26 0.11 -1.58 -0.00 0.00 0.00 177.39 173.66 2qam s GLN 116 N -1.43 3.05 0.00 1.96 2.00 -1.26 -4.59 119.66 119.39 2qam s GLN 116 Ca 0.61 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 52.99 2qam s GLN 116 Cb -0.72 -4.04 0.00 0.00 0.80 0.00 0.00 33.01 29.04 2qam s GLN 116 CO 0.58 -0.97 0.00 1.97 -0.50 0.00 0.00 175.29 176.37