#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2l n SER 2 N 0.00 -6.45 -1.46 1.61 7.64 -1.26 -5.07 113.62 108.63 1x2l n SER 2 Ca 0.00 0.59 0.20 0.00 1.01 0.00 0.00 58.87 60.67 1x2l n SER 2 Cb 0.00 -3.37 -0.05 0.00 -1.01 0.00 0.00 64.21 59.78 1x2l n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x2l n SER 3 N -3.63 -8.68 0.00 6.43 7.64 -1.26 -5.11 113.62 109.02 1x2l n SER 3 Ca -0.01 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1x2l n SER 3 Cb 0.50 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 1x2l n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2l n GLY 4 N -4.28 3.09 3.54 0.23 0.00 -1.26 -5.17 105.19 101.33 1x2l n GLY 4 Ca 0.01 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1x2l n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2l s SER 5 N 0.00 -0.41 0.18 1.61 0.15 -1.26 -5.20 113.70 108.76 1x2l s SER 5 Ca 0.00 -0.11 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 1x2l s SER 5 Cb 0.00 0.52 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 1x2l s SER 5 CO 0.00 -0.87 0.59 -0.44 1.20 0.00 0.00 173.24 173.71 1x2l s SER 6 N -2.69 -0.46 0.00 5.45 0.01 -1.26 -5.14 113.70 109.61 1x2l s SER 6 Ca 0.05 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1x2l s SER 6 Cb -0.02 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1x2l s SER 6 CO -0.08 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1x2l n GLY 7 N -0.37 0.11 2.49 3.44 0.00 -1.26 -5.13 105.19 104.46 1x2l n GLY 7 Ca -0.14 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1x2l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l s ALA 8 N 0.00 1.06 0.00 4.61 0.00 -1.26 -5.05 121.76 121.12 1x2l s ALA 8 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1x2l s ALA 8 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1x2l s ALA 8 CO 0.00 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.07 1x2l n GLY 9 N 3.99 -0.08 1.46 0.00 0.00 -1.26 -5.03 105.19 104.27 1x2l n GLY 9 Ca 0.12 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1x2l n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2l n PRO 10 N 0.00 0.89 0.00 1.61 -0.04 -1.26 -4.93 135.00 131.27 1x2l n PRO 10 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x2l n PRO 10 Cb 0.00 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1x2l n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x2l n GLY 11 N 1.39 2.93 3.15 0.55 0.00 -1.26 -4.37 105.19 107.58 1x2l n GLY 11 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1x2l n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l s ALA 12 N -1.65 -2.72 0.32 4.61 0.00 -1.26 -5.18 121.76 115.88 1x2l s ALA 12 Ca 0.00 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 1x2l s ALA 12 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1x2l s ALA 12 CO 0.00 -1.78 0.46 -1.21 0.00 0.00 0.00 175.76 173.23 1x2l s GLU 13 N 2.86 1.81 -0.33 0.00 0.41 -1.26 -5.09 118.70 117.10 1x2l s GLU 13 Ca 0.14 -1.65 -0.27 0.00 -0.41 0.00 0.00 54.97 52.78 1x2l s GLU 13 Cb -0.09 0.44 -0.06 0.00 -1.78 0.00 0.00 34.13 32.64 1x2l s GLU 13 CO -0.24 -0.75 2.28 -2.00 -0.49 0.00 0.00 175.26 174.06 1x2l s GLU 14 N -3.27 2.71 0.00 1.61 2.56 -1.26 -4.97 118.70 116.08 1x2l s GLU 14 Ca 0.29 1.75 0.00 0.00 0.00 0.00 0.00 54.97 57.01 1x2l s GLU 14 Cb -0.00 -4.45 0.00 0.00 2.00 0.00 0.00 34.13 31.67 1x2l s GLU 14 CO 0.18 -2.58 0.00 -0.85 -0.56 0.00 0.00 175.26 171.45 1x2l n GLU 15 N 8.86 0.34 -3.46 4.30 0.28 -1.26 -5.04 120.64 124.66 1x2l n GLU 15 Ca 0.32 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.89 1x2l n GLU 15 Cb 0.49 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.27 1x2l n GLU 15 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1x2l s GLN 16 N -2.27 2.91 -0.06 3.44 -0.21 -1.26 -5.07 119.66 117.13 1x2l s GLN 16 Ca 0.00 -1.23 -0.17 0.00 0.02 0.00 0.00 55.36 53.98 1x2l s GLN 16 Cb 0.00 -3.99 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 1x2l s GLN 16 CO 0.00 -0.89 0.44 -0.51 -2.12 0.00 0.00 175.29 172.21 1x2l s LEU 17 N 1.61 4.36 -0.64 2.90 1.43 -1.26 -5.00 118.68 122.08 1x2l s LEU 17 Ca 0.04 0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 53.75 1x2l s LEU 17 Cb -0.22 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1x2l s LEU 17 CO 0.07 0.15 1.75 -1.81 0.23 0.00 0.00 176.35 176.74 1x2l s ASP 18 N -0.14 5.44 0.24 2.29 1.01 -1.26 -4.59 116.67 119.67 1x2l s ASP 18 Ca 0.24 0.16 -0.06 0.00 0.71 0.00 0.00 52.55 53.60 1x2l s ASP 18 Cb -0.16 -2.54 0.26 0.00 1.01 0.00 0.00 42.92 41.50 1x2l s ASP 18 CO 0.11 -2.28 1.91 0.71 0.21 0.00 0.00 175.17 175.83 1x2l h THR 19 N 6.73 1.22 -0.08 -1.27 1.35 -1.94 -0.77 112.91 118.15 1x2l h THR 19 Ca -0.26 -0.43 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 1x2l h THR 19 Cb 1.14 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1x2l h THR 19 CO 1.23 0.23 -0.14 0.00 -0.25 0.00 0.00 175.52 176.59 1x2l h ALA 20 N 1.36 1.62 0.01 6.62 0.00 -1.86 0.11 119.26 127.11 1x2l h ALA 20 Ca 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x2l h ALA 20 Cb -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1x2l h ALA 20 CO -0.09 0.28 -0.00 1.49 0.00 0.00 0.00 179.25 180.93 1x2l h GLU 21 N 0.12 -0.01 -0.41 0.00 4.81 -1.71 -2.10 114.58 115.28 1x2l h GLU 21 Ca 0.02 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1x2l h GLU 21 Cb 0.33 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1x2l h GLU 21 CO 0.02 0.72 0.13 0.82 -0.73 0.00 0.00 179.01 179.98 1x2l h ILE 22 N -0.76 0.86 -0.93 2.32 2.04 -0.97 0.20 117.51 120.28 1x2l h ILE 22 Ca -0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1x2l h ILE 22 Cb 0.74 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1x2l h ILE 22 CO 0.00 0.05 0.56 0.00 0.00 0.00 0.00 178.15 178.77 1x2l h ALA 23 N 1.27 1.18 0.29 1.87 0.00 -0.85 0.10 119.26 123.13 1x2l h ALA 23 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1x2l h ALA 23 Cb 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1x2l h ALA 23 CO -0.20 0.64 -0.14 0.35 0.00 0.00 0.00 179.25 179.89 1x2l h PHE 24 N 1.28 -0.36 -1.01 0.00 3.57 -0.79 -3.13 116.94 116.50 1x2l h PHE 24 Ca 0.33 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 62.05 1x2l h PHE 24 Cb -0.06 0.12 -0.11 0.00 2.79 0.00 0.00 35.95 38.69 1x2l h PHE 24 CO 0.00 -0.23 0.62 1.96 -2.23 0.00 0.00 178.31 178.44 1x2l h GLN 25 N -0.44 0.57 -0.50 1.11 4.20 -0.49 0.69 115.11 120.25 1x2l h GLN 25 Ca -0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1x2l h GLN 25 Cb 0.30 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1x2l h GLN 25 CO 0.07 0.37 0.17 0.28 -0.67 0.00 0.00 178.83 179.05 1x2l h VAL 26 N 0.58 1.22 -0.63 -0.54 2.07 -1.08 -0.87 116.25 117.02 1x2l h VAL 26 Ca 0.60 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1x2l h VAL 26 Cb 1.18 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1x2l h VAL 26 CO -0.37 0.27 0.40 0.11 0.02 0.00 0.00 177.57 177.99 1x2l h LYS 27 N 0.67 0.84 -0.22 1.57 1.57 -0.82 -0.88 116.57 119.29 1x2l h LYS 27 Ca 0.16 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1x2l h LYS 27 Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1x2l h LYS 27 CO -0.01 0.58 0.02 0.93 -0.57 0.00 0.00 179.45 180.40 1x2l h GLU 28 N 0.85 0.10 -0.65 3.15 4.39 -1.01 0.28 114.58 121.69 1x2l h GLU 28 Ca 0.23 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1x2l h GLU 28 Cb -0.06 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1x2l h GLU 28 CO -0.05 0.07 0.23 1.96 -1.16 0.00 0.00 179.01 180.05 1x2l h GLN 29 N 0.10 0.97 -0.59 2.33 1.08 -0.94 0.79 115.11 118.85 1x2l h GLN 29 Ca 0.10 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1x2l h GLN 29 Cb 0.12 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1x2l h GLN 29 CO -0.16 0.81 0.28 -0.07 -0.95 0.00 0.00 178.83 178.75 1x2l h LEU 30 N 0.94 0.78 -0.58 1.46 3.38 -0.65 -1.85 115.31 118.80 1x2l h LEU 30 Ca 0.22 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1x2l h LEU 30 Cb 0.23 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1x2l h LEU 30 CO -0.01 0.69 0.27 -0.07 0.09 0.00 0.00 178.44 179.42 1x2l h LEU 31 N 0.81 0.37 -0.95 1.67 3.38 -0.55 0.18 115.31 120.21 1x2l h LEU 31 Ca 0.20 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.36 1x2l h LEU 31 Cb 0.13 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1x2l h LEU 31 CO -0.02 0.24 0.57 0.50 0.09 0.00 0.00 178.44 179.81 1x2l h LYS 32 N 0.51 0.79 0.00 1.13 3.64 0.03 -1.42 116.57 121.25 1x2l h LYS 32 Ca 0.27 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1x2l h LYS 32 Cb 0.22 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1x2l h LYS 32 CO -0.21 0.52 -0.03 0.72 -2.27 0.00 0.00 179.45 178.19 1x2l n HIS 33 N -4.74 0.00 -3.62 1.91 8.25 -1.19 -5.04 115.22 110.80 1x2l n HIS 33 Ca 0.20 -0.74 -0.24 0.00 -0.26 0.00 0.00 57.72 56.68 1x2l n HIS 33 Cb 0.44 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.45 1x2l n HIS 33 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1x2l n ASN 34 N -0.98 -5.43 -4.63 0.41 2.85 -0.51 -4.98 115.26 101.99 1x2l n ASN 34 Ca 0.09 -0.66 -0.26 0.00 -0.11 0.00 0.00 54.58 53.64 1x2l n ASN 34 Cb 0.50 -2.23 -0.08 0.00 1.24 0.00 0.00 39.78 39.21 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1x2l s ILE 35 N -2.69 3.49 0.00 -1.44 1.01 0.53 -5.01 121.20 117.08 1x2l s ILE 35 Ca 0.08 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.05 1x2l s ILE 35 Cb -0.01 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1x2l s ILE 35 CO 0.87 -0.17 0.26 -0.83 0.00 0.00 0.00 174.94 175.07 1x2l s GLY 36 N -3.07 2.25 0.28 6.18 0.00 -1.26 -4.67 107.32 107.03 1x2l s GLY 36 Ca 0.27 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 1x2l s GLY 36 CO 0.18 -0.39 1.87 -1.61 0.00 0.00 0.00 173.10 173.15 1x2l h GLN 37 N 4.03 0.93 0.27 2.90 4.15 -1.98 -2.10 115.11 123.30 1x2l h GLN 37 Ca -0.50 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 58.78 1x2l h GLN 37 Cb 1.20 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1x2l h GLN 37 CO 0.66 0.75 -0.24 -0.09 -1.93 0.00 0.00 178.83 177.97 1x2l h ARG 38 N 0.91 -0.52 -0.61 1.69 2.43 -1.95 0.15 114.38 116.49 1x2l h ARG 38 Ca 0.22 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1x2l h ARG 38 Cb 0.16 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1x2l h ARG 38 CO -0.02 -0.35 0.38 0.28 -1.51 0.00 0.00 179.97 178.76 1x2l h VAL 39 N -0.54 1.16 0.56 0.20 2.07 -1.89 0.36 116.25 118.17 1x2l h VAL 39 Ca -0.01 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1x2l h VAL 39 Cb 0.49 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1x2l h VAL 39 CO -0.04 0.16 -0.27 0.15 0.02 0.00 0.00 177.57 177.60 1x2l h PHE 40 N 0.83 -0.70 0.00 1.57 3.57 -1.18 -2.88 116.94 118.15 1x2l h PHE 40 Ca 0.22 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1x2l h PHE 40 Cb -0.07 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1x2l h PHE 40 CO 0.00 -0.41 -0.30 0.78 -2.23 0.00 0.00 178.31 176.15 1x2l h GLY 41 N -0.81 0.00 2.00 2.40 0.00 -0.06 -0.28 103.07 106.32 1x2l h GLY 41 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 1x2l h GLY 41 CO 0.13 0.00 -0.73 0.84 0.00 0.00 0.00 176.54 176.78 1x2l h HIS 42 N 0.00 0.00 0.00 5.60 -0.00 -0.35 0.61 115.15 121.01 1x2l h HIS 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1x2l h HIS 42 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1x2l h HIS 42 CO 0.00 0.73 -0.51 0.66 -0.00 0.00 0.00 177.93 178.81 1x2l n TYR 43 N -3.35 0.00 -0.08 5.26 4.02 -1.07 -3.75 117.16 118.18 1x2l n TYR 43 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1x2l n TYR 43 Cb 0.80 -0.26 -0.04 0.00 -0.02 0.00 0.00 39.34 39.82 1x2l n TYR 43 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1x2l h VAL 44 N -0.51 1.26 0.05 -0.72 2.07 -1.26 -3.32 116.25 113.82 1x2l h VAL 44 Ca 0.00 -0.95 -0.37 0.00 0.82 0.00 0.00 66.70 66.20 1x2l h VAL 44 Cb 0.51 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1x2l h VAL 44 CO 0.00 0.30 -2.18 0.18 0.02 0.00 0.00 177.57 175.89 1x2l n LEU 45 N -4.61 2.20 0.00 2.57 4.77 -1.18 -4.90 117.00 115.86 1x2l n LEU 45 Ca -0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1x2l n LEU 45 Cb 0.26 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1x2l n LEU 45 CO 0.38 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1x2l n GLY 46 N 2.00 0.85 3.95 -0.72 0.00 0.19 -4.88 105.19 106.58 1x2l n GLY 46 Ca -0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1x2l n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2l s LEU 47 N 0.00 3.19 0.72 0.99 1.43 0.35 -4.83 118.68 120.53 1x2l s LEU 47 Ca 0.00 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1x2l s LEU 47 Cb 0.00 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.14 1x2l s LEU 47 CO 0.00 -1.19 1.07 -0.44 0.23 0.00 0.00 176.35 176.02 1x2l s SER 48 N -4.40 5.22 0.17 2.29 0.01 -1.26 -3.73 113.70 112.00 1x2l s SER 48 Ca 0.56 1.42 -0.15 0.00 1.31 0.00 0.00 55.95 59.09 1x2l s SER 48 Cb -0.10 -2.26 0.09 0.00 0.21 0.00 0.00 66.02 63.95 1x2l s SER 48 CO 0.41 -1.52 1.76 0.06 0.41 0.00 0.00 173.24 174.36 1x2l h GLN 49 N -0.78 0.35 0.00 12.44 3.07 -1.92 -1.44 115.11 126.83 1x2l h GLN 49 Ca -0.45 -0.02 -0.08 0.00 0.09 0.00 0.00 58.65 58.19 1x2l h GLN 49 Cb 1.23 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.70 1x2l h GLN 49 CO 0.59 0.23 -0.37 0.78 0.09 0.00 0.00 178.83 180.16 1x2l h GLY 50 N 0.36 0.00 0.57 0.06 0.00 -1.99 -2.50 103.07 99.57 1x2l h GLY 50 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1x2l h GLY 50 CO -0.17 0.00 -0.27 1.76 0.00 0.00 0.00 176.54 177.86 1x2l h SER 51 N 0.00 -0.65 -0.54 0.19 0.02 -1.64 -2.46 113.55 108.47 1x2l h SER 51 Ca -0.00 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1x2l h SER 51 Cb 0.71 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1x2l h SER 51 CO 0.05 -0.36 0.36 -0.37 -1.14 0.00 0.00 176.83 175.36 1x2l h VAL 52 N -0.97 1.05 -0.83 2.27 -1.51 -1.51 -2.09 116.25 112.66 1x2l h VAL 52 Ca -0.08 -0.20 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 1x2l h VAL 52 Cb 0.59 0.40 -0.06 0.00 -2.13 0.00 0.00 31.29 30.09 1x2l h VAL 52 CO 0.13 0.11 0.51 -1.28 -1.23 0.00 0.00 177.57 175.80 1x2l h SER 53 N 0.59 0.79 -0.56 4.19 0.87 -1.40 0.40 113.55 118.43 1x2l h SER 53 Ca 0.22 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1x2l h SER 53 Cb 0.13 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1x2l h SER 53 CO -0.06 0.50 0.32 -0.08 -0.53 0.00 0.00 176.83 176.99 1x2l h GLU 54 N 0.92 0.61 -0.74 2.24 4.57 -0.89 0.65 114.58 121.95 1x2l h GLU 54 Ca 0.36 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.48 1x2l h GLU 54 Cb 0.18 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1x2l h GLU 54 CO -0.18 0.40 0.35 0.82 -1.18 0.00 0.00 179.01 179.22 1x2l h ILE 55 N 0.63 1.24 0.00 2.32 2.04 -0.82 0.26 117.51 123.18 1x2l h ILE 55 Ca 0.24 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1x2l h ILE 55 Cb 0.08 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1x2l h ILE 55 CO -0.13 0.28 -0.30 -0.07 0.00 0.00 0.00 178.15 177.94 1x2l h LEU 56 N 1.05 0.00 0.00 1.44 3.38 -0.81 -1.95 115.31 118.43 1x2l h LEU 56 Ca 0.26 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1x2l h LEU 56 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1x2l h LEU 56 CO -0.03 0.05 -0.40 0.00 0.09 0.00 0.00 178.44 178.15 1x2l h ALA 57 N 2.49 0.07 -2.65 1.53 0.00 -0.23 -3.44 119.26 117.03 1x2l h ALA 57 Ca 0.00 -0.61 -0.60 0.00 0.00 0.00 0.00 54.91 53.69 1x2l h ALA 57 Cb 0.75 0.25 -0.39 0.00 0.00 0.00 0.00 17.79 18.40 1x2l h ALA 57 CO 0.00 0.24 -0.83 1.03 0.00 0.00 0.00 179.25 179.70 1x2l s ARG 58 N -2.15 1.40 -0.56 0.00 1.81 0.87 -5.06 118.95 115.26 1x2l s ARG 58 Ca -0.18 -2.45 -0.27 0.00 -1.72 0.00 0.00 55.73 51.12 1x2l s ARG 58 Cb 0.00 -2.11 -0.02 0.00 -0.45 0.00 0.00 34.95 32.37 1x2l s ARG 58 CO 0.50 -1.33 1.85 -1.25 -0.68 0.00 0.00 175.30 174.39 1x2l s PRO 59 N -0.33 2.75 0.85 3.54 0.04 -0.73 -4.48 135.00 136.64 1x2l s PRO 59 Ca 0.28 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1x2l s PRO 59 Cb -0.02 -4.35 0.10 0.00 0.04 0.00 0.00 34.50 30.27 1x2l s PRO 59 CO -0.16 -2.58 1.10 0.15 0.04 0.00 0.00 177.00 175.55 1x2l s LYS 60 N 6.80 1.60 0.46 4.56 1.02 -1.26 -4.65 119.74 128.27 1x2l s LYS 60 Ca 0.70 1.14 -0.24 0.00 0.02 0.00 0.00 55.97 57.59 1x2l s LYS 60 Cb -0.14 -1.82 -0.09 0.00 -0.52 0.00 0.00 37.83 35.26 1x2l s LYS 60 CO 0.23 -2.09 1.19 -2.30 -0.92 0.00 0.00 175.35 171.46 1x2l n PRO 61 N -3.83 1.65 -0.10 -1.68 -0.02 -1.26 -4.75 135.00 125.01 1x2l n PRO 61 Ca 0.09 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1x2l n PRO 61 Cb 0.53 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1x2l n PRO 61 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1x2l h TRP 62 N 1.68 -0.29 0.00 6.00 2.91 -1.94 0.65 115.95 124.96 1x2l h TRP 62 Ca -0.48 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.58 1x2l h TRP 62 Cb 1.31 0.18 0.00 0.00 -0.51 0.00 0.00 29.16 30.15 1x2l h TRP 62 CO 0.45 -0.20 0.13 0.07 -1.03 0.00 0.00 178.44 177.86 1x2l h ARG 63 N -0.05 0.00 0.04 2.65 -0.00 -1.94 -0.58 114.38 114.50 1x2l h ARG 63 Ca 0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.90 1x2l h ARG 63 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.26 1x2l h ARG 63 CO -0.40 0.00 -1.27 0.87 -0.00 0.00 0.00 179.97 179.18 1x2l h LYS 64 N 0.00 0.08 -7.46 0.08 1.79 -1.22 -3.48 116.57 106.36 1x2l h LYS 64 Ca 0.00 -0.13 -0.43 0.00 -2.18 0.00 0.00 60.65 57.90 1x2l h LYS 64 Cb 0.26 0.05 0.17 0.00 -1.58 0.00 0.00 32.23 31.13 1x2l h LYS 64 CO 0.00 0.95 0.21 -0.51 -1.08 0.00 0.00 179.45 179.01 1x2l s LEU 65 N -6.69 1.35 0.56 2.94 1.43 -0.23 -5.02 118.68 113.02 1x2l s LEU 65 Ca -0.03 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1x2l s LEU 65 Cb 0.09 -2.72 0.04 0.00 0.03 0.00 0.00 46.19 43.63 1x2l s LEU 65 CO 0.83 -3.49 0.36 0.42 0.23 0.00 0.00 176.35 174.71 1x2l s THR 66 N -3.15 1.45 0.22 5.49 -4.23 -1.26 -4.94 115.64 109.22 1x2l s THR 66 Ca 0.69 -1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 59.56 1x2l s THR 66 Cb -0.12 -2.01 0.17 0.00 1.34 0.00 0.00 72.50 71.88 1x2l s THR 66 CO 0.56 0.00 1.73 -0.37 -0.54 0.00 0.00 174.62 176.00 1x2l h VAL 67 N 0.76 0.71 0.00 2.29 -1.51 -1.98 0.19 116.25 116.71 1x2l h VAL 67 Ca -0.37 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 1x2l h VAL 67 Cb 1.31 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1x2l h VAL 67 CO 0.59 0.07 -0.07 0.11 -1.23 0.00 0.00 177.57 177.03 1x2l h LYS 68 N 0.38 0.00 -0.05 5.19 6.56 -1.99 0.16 116.57 126.81 1x2l h LYS 68 Ca 0.34 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.88 1x2l h LYS 68 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1x2l h LYS 68 CO -0.36 0.07 -0.16 0.78 -2.06 0.00 0.00 179.45 177.72 1x2l h GLY 69 N 1.21 0.22 1.89 3.86 0.00 -1.41 -3.34 103.07 105.49 1x2l h GLY 69 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1x2l h GLY 69 CO 0.01 0.26 -0.60 0.50 0.00 0.00 0.00 176.54 176.70 1x2l h LYS 70 N -0.33 0.12 -0.75 4.80 1.57 0.02 -3.37 116.57 118.63 1x2l h LYS 70 Ca -0.01 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1x2l h LYS 70 Cb 0.78 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.99 1x2l h LYS 70 CO 0.03 0.68 -0.49 0.93 -0.57 0.00 0.00 179.45 180.03 1x2l h GLU 71 N 0.09 -0.14 0.19 3.15 4.39 -0.84 0.13 114.58 121.55 1x2l h GLU 71 Ca -0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1x2l h GLU 71 Cb 1.08 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1x2l h GLU 71 CO 0.09 -0.09 -0.09 -1.00 -1.16 0.00 0.00 179.01 176.75 1x2l h PRO 72 N -0.15 -0.24 -0.91 2.33 0.13 -1.78 -2.80 132.00 128.59 1x2l h PRO 72 Ca 0.19 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.45 1x2l h PRO 72 Cb 0.53 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.65 1x2l h PRO 72 CO -0.80 -0.10 0.58 0.74 -0.23 0.00 0.00 178.00 178.19 1x2l h PHE 73 N -0.33 0.94 0.55 1.56 0.04 -1.23 0.16 116.94 118.64 1x2l h PHE 73 Ca -0.03 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1x2l h PHE 73 Cb 0.25 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1x2l h PHE 73 CO -0.04 0.39 -0.33 0.82 -0.60 0.00 0.00 178.31 178.55 1x2l h ILE 74 N 0.83 0.33 -0.79 -0.55 2.04 -0.77 0.93 117.51 119.54 1x2l h ILE 74 Ca 0.44 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.36 1x2l h ILE 74 Cb 0.53 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1x2l h ILE 74 CO -0.20 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.54 1x2l h LYS 75 N -0.83 0.84 0.10 2.37 1.57 -0.99 -1.71 116.57 117.92 1x2l h LYS 75 Ca -0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1x2l h LYS 75 Cb 0.67 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1x2l h LYS 75 CO 0.08 0.56 -0.05 0.52 -0.57 0.00 0.00 179.45 179.99 1x2l h MET 76 N 0.87 -0.12 -0.52 3.15 2.86 -0.51 -0.28 114.93 120.38 1x2l h MET 76 Ca 0.35 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1x2l h MET 76 Cb 0.19 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1x2l h MET 76 CO -0.18 0.14 0.21 -0.22 1.06 0.00 0.00 176.91 177.92 1x2l h LYS 77 N -0.38 0.75 -0.49 1.72 3.64 -0.60 -0.53 116.57 120.67 1x2l h LYS 77 Ca -0.01 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1x2l h LYS 77 Cb 0.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1x2l h LYS 77 CO 0.02 0.61 0.01 1.96 -2.27 0.00 0.00 179.45 179.78 1x2l h GLN 78 N 0.74 0.87 -0.94 1.90 4.20 -1.23 -2.18 115.11 118.46 1x2l h GLN 78 Ca 0.18 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.68 1x2l h GLN 78 Cb 0.15 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1x2l h GLN 78 CO -0.02 0.90 0.61 0.35 -0.67 0.00 0.00 178.83 180.00 1x2l h PHE 79 N 0.73 1.10 0.00 2.96 3.04 -0.32 -1.13 116.94 123.32 1x2l h PHE 79 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1x2l h PHE 79 Cb 0.50 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1x2l h PHE 79 CO 0.04 0.57 0.00 1.28 -2.02 0.00 0.00 178.31 178.18 1x2l n LEU 80 N -4.49 0.37 0.16 0.59 4.77 -0.28 -3.81 117.00 114.31 1x2l n LEU 80 Ca 0.14 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.77 1x2l n LEU 80 Cb 0.19 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1x2l n LEU 80 CO 0.33 -0.19 0.48 0.28 -1.33 0.00 0.00 177.39 176.95 1x2l h SER 81 N 0.00 0.00 -3.46 -1.43 0.02 -0.58 -3.43 113.55 104.67 1x2l h SER 81 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1x2l h SER 81 Cb 0.51 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.71 1x2l h SER 81 CO 0.00 0.13 -0.78 -0.62 -1.14 0.00 0.00 176.83 174.42 1x2l s ASP 82 N -6.02 1.17 0.15 3.07 2.15 -1.24 -5.06 116.67 110.89 1x2l s ASP 82 Ca 0.04 -0.18 -0.17 0.00 0.43 0.00 0.00 52.55 52.68 1x2l s ASP 82 Cb 0.07 -0.55 0.00 0.00 -0.30 0.00 0.00 42.92 42.14 1x2l s ASP 82 CO 0.72 -0.02 1.81 -0.08 -0.17 0.00 0.00 175.17 177.43 1x2l h GLU 83 N 7.07 0.51 0.00 4.34 4.57 -1.84 -3.20 114.58 126.04 1x2l h GLU 83 Ca -0.36 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1x2l h GLU 83 Cb 1.16 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1x2l h GLU 83 CO 0.48 0.34 0.28 1.96 -1.18 0.00 0.00 179.01 180.89 1x2l h GLN 84 N 0.52 0.00 -0.88 1.92 1.08 -1.97 0.47 115.11 116.24 1x2l h GLN 84 Ca 0.14 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.46 1x2l h GLN 84 Cb -0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.30 1x2l h GLN 84 CO -0.03 0.00 0.50 -0.91 -0.95 0.00 0.00 178.83 177.44 1x2l h ASN 85 N 0.00 0.68 0.22 1.46 2.35 -1.81 -2.07 115.58 116.41 1x2l h ASN 85 Ca 0.00 0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 1x2l h ASN 85 Cb 0.56 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1x2l h ASN 85 CO 0.00 0.34 -0.72 1.62 -1.65 0.00 0.00 177.43 177.02 1x2l h VAL 86 N 0.77 1.37 0.00 2.81 3.04 -1.16 -3.02 116.25 120.06 1x2l h VAL 86 Ca 0.45 -2.11 -0.03 0.00 -1.01 0.00 0.00 66.70 63.99 1x2l h VAL 86 Cb 0.52 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1x2l h VAL 86 CO -0.30 0.64 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.67 1x2l h LEU 87 N 0.30 0.00 -0.10 3.16 -0.00 -1.52 0.39 115.31 117.54 1x2l h LEU 87 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.70 1x2l h LEU 87 Cb 1.30 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.97 1x2l h LEU 87 CO 0.13 0.16 -0.51 0.00 -0.00 0.00 0.00 178.44 178.22 1x2l h ALA 88 N 1.84 0.20 -0.13 1.53 0.00 -1.45 -3.33 119.26 117.92 1x2l h ALA 88 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1x2l h ALA 88 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1x2l h ALA 88 CO 0.02 0.39 -0.01 -0.07 0.00 0.00 0.00 179.25 179.59 1x2l h LEU 89 N 0.13 0.16 -0.81 0.00 -0.00 -0.86 -1.82 115.31 112.11 1x2l h LEU 89 Ca -0.04 -0.02 0.11 0.00 -0.00 0.00 0.00 57.88 57.94 1x2l h LEU 89 Cb 1.16 -0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 41.70 1x2l h LEU 89 CO 0.11 0.21 0.43 0.03 -0.00 0.00 0.00 178.44 179.22 1x2l h ARG 90 N 0.18 0.67 -0.42 1.13 3.08 -1.27 -0.93 114.38 116.83 1x2l h ARG 90 Ca 0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1x2l h ARG 90 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1x2l h ARG 90 CO 0.00 0.44 0.01 1.15 -1.07 0.00 0.00 179.97 180.51 1x2l h THR 91 N 0.69 1.26 -0.10 2.04 2.02 -1.49 -2.93 112.91 114.39 1x2l h THR 91 Ca 0.41 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 1x2l h THR 91 Cb 0.47 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1x2l h THR 91 CO -0.29 0.34 -0.42 0.40 0.37 0.00 0.00 175.52 175.92 1x2l h ILE 92 N 0.56 1.31 -0.75 3.11 2.04 -1.36 -2.52 117.51 119.90 1x2l h ILE 92 Ca 0.12 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.49 1x2l h ILE 92 Cb 0.47 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1x2l h ILE 92 CO 0.02 0.46 0.46 -0.61 0.00 0.00 0.00 178.15 178.48 1x2l h GLN 93 N 0.19 0.86 -0.06 2.37 5.75 -1.01 -0.92 115.11 122.29 1x2l h GLN 93 Ca 0.02 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1x2l h GLN 93 Cb 0.82 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1x2l h GLN 93 CO 0.06 0.57 -0.26 -0.39 -2.65 0.00 0.00 178.83 176.16 1x2l h VAL 94 N 0.88 1.22 0.00 2.39 -1.51 -1.31 -2.16 116.25 115.75 1x2l h VAL 94 Ca 0.31 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1x2l h VAL 94 Cb 0.08 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1x2l h VAL 94 CO -0.14 0.30 0.00 0.54 -1.23 0.00 0.00 177.57 177.04 1x2l n ARG 95 N -4.19 0.43 -0.76 5.19 5.12 -0.42 -4.89 116.66 117.14 1x2l n ARG 95 Ca -0.02 0.04 -0.31 0.00 -1.93 0.00 0.00 57.85 55.64 1x2l n ARG 95 Cb 0.34 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.31 1x2l n ARG 95 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x2l s SER 96 N -2.48 2.90 0.00 0.55 0.15 -0.79 -5.00 113.70 109.02 1x2l s SER 96 Ca 0.26 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1x2l s SER 96 Cb 0.17 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x2l s SER 96 CO 0.37 -3.09 0.00 0.61 1.20 0.00 0.00 173.24 172.32 1x2l n GLY 97 N 0.06 -2.26 2.12 9.45 0.00 -1.26 -4.99 105.19 108.32 1x2l n GLY 97 Ca 0.10 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 1x2l n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2l n PRO 98 N -0.58 2.35 -2.58 1.61 -0.04 -1.26 -4.88 135.00 129.62 1x2l n PRO 98 Ca 0.00 -1.42 -0.41 0.00 -0.04 0.00 0.00 63.50 61.63 1x2l n PRO 98 Cb 0.00 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 1x2l n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2l s SER 99 N 1.73 6.43 -0.38 3.54 0.15 -1.26 -4.69 113.70 119.23 1x2l s SER 99 Ca 0.66 -1.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.02 1x2l s SER 99 Cb 0.31 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 62.27 1x2l s SER 99 CO -0.04 -1.56 1.00 -0.55 1.20 0.00 0.00 173.24 173.29 1x2l s SER 100 N 4.62 -0.56 0.00 5.45 0.15 -1.26 -5.22 113.70 116.88 1x2l s SER 100 Ca 0.42 -0.59 0.22 0.00 0.70 0.00 0.00 55.95 56.70 1x2l s SER 100 Cb -0.02 0.73 0.17 0.00 -1.71 0.00 0.00 66.02 65.18 1x2l s SER 100 CO -0.04 -0.03 1.19 0.61 1.20 0.00 0.00 173.24 176.17