#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 0.34 -3.49 1.61 7.64 -1.26 -4.99 113.62 113.48 1x2l n SER 2 Ca 0.00 0.32 -0.16 0.00 1.01 0.00 0.00 58.87 60.04 1x2l n SER 2 Cb 0.00 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 62.84 1x2l n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x2l s SER 3 N 1.61 -0.62 0.00 6.43 0.01 -1.26 -5.18 113.70 114.69 1x2l s SER 3 Ca 0.40 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1x2l s SER 3 Cb -0.52 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1x2l s SER 3 CO 0.26 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1x2l n GLY 4 N 0.44 -0.55 2.55 3.44 0.00 -1.26 -5.15 105.19 104.66 1x2l n GLY 4 Ca -0.18 -1.31 -0.00 0.00 0.00 0.00 0.00 46.02 44.53 1x2l n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2l n SER 5 N 1.40 -7.22 -4.09 1.61 7.64 -1.26 -5.11 113.62 106.58 1x2l n SER 5 Ca 0.00 1.23 -0.10 0.00 1.01 0.00 0.00 58.87 61.02 1x2l n SER 5 Cb 0.00 -4.76 -0.09 0.00 -1.01 0.00 0.00 64.21 58.35 1x2l n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x2l s SER 6 N -1.43 0.21 0.00 6.43 1.04 -1.26 -5.08 113.70 113.61 1x2l s SER 6 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1x2l s SER 6 Cb -0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x2l s SER 6 CO 0.68 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1x2l n GLY 7 N -0.15 0.00 3.39 7.32 0.00 -1.26 -5.17 105.19 109.33 1x2l n GLY 7 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 2.18 0.00 4.61 0.00 -1.26 -5.10 121.76 122.19 1x2l s ALA 8 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1x2l s ALA 8 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1x2l s ALA 8 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1x2l n GLY 9 N -0.51 0.37 0.03 0.00 0.00 -1.26 -5.06 105.19 98.76 1x2l n GLY 9 Ca -0.06 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.30 -3.15 1.61 -0.04 -1.26 -5.10 135.00 125.76 1x2l n PRO 10 Ca 0.00 -0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1x2l n PRO 10 Cb 0.00 -0.02 -0.01 0.00 -0.04 0.00 0.00 33.50 33.44 1x2l n PRO 10 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x2l s GLY 11 N -2.38 -0.74 0.12 0.55 0.00 -1.26 -5.01 107.32 98.60 1x2l s GLY 11 Ca 0.01 2.24 0.03 0.00 0.00 0.00 0.00 44.72 47.00 1x2l s GLY 11 CO 0.00 3.89 -0.09 0.00 0.00 0.00 0.00 173.10 176.91 1x2l s ALA 12 N 2.94 1.23 0.00 3.20 0.00 -1.26 -5.08 121.76 122.79 1x2l s ALA 12 Ca 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1x2l s ALA 12 Cb -0.07 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1x2l s ALA 12 CO -0.18 -0.13 0.00 -1.91 0.00 0.00 0.00 175.76 173.53 1x2l n GLU 13 N -0.01 0.00 -3.91 0.00 2.13 -1.26 -2.55 120.64 115.05 1x2l n GLU 13 Ca -0.12 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.34 1x2l n GLU 13 Cb 0.60 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.19 1x2l n GLU 13 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1x2l s GLU 14 N 0.00 3.64 0.38 5.31 2.12 -1.26 -5.12 118.70 123.77 1x2l s GLU 14 Ca 0.00 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.88 1x2l s GLU 14 Cb 0.00 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1x2l s GLU 14 CO 0.00 -0.08 0.17 -1.83 -0.54 0.00 0.00 175.26 172.98 1x2l s GLU 15 N 1.29 1.85 -1.08 4.30 -1.05 -1.06 -5.09 118.70 117.86 1x2l s GLU 15 Ca 0.04 -2.11 -0.04 0.00 -0.15 0.00 0.00 54.97 52.71 1x2l s GLU 15 Cb -0.15 -0.33 0.31 0.00 -0.44 0.00 0.00 34.13 33.52 1x2l s GLU 15 CO 0.02 -0.52 1.54 1.04 0.95 0.00 0.00 175.26 178.29 1x2l n GLN 16 N -0.81 4.58 -1.69 -4.83 6.02 -1.26 -5.00 117.38 114.40 1x2l n GLN 16 Ca -0.02 -4.54 -0.44 0.00 -0.01 0.00 0.00 57.00 51.99 1x2l n GLN 16 Cb 0.64 -2.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.36 1x2l n GLN 16 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x2l n LEU 17 N 1.22 3.41 -4.58 1.08 4.77 -1.26 -4.87 117.00 116.78 1x2l n LEU 17 Ca 0.29 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 57.00 1x2l n LEU 17 Cb 0.32 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1x2l n LEU 17 CO 0.71 -0.35 1.43 -1.81 -1.33 0.00 0.00 177.39 176.04 1x2l s ASP 18 N 0.28 5.83 0.14 -1.43 1.01 -1.26 -4.45 116.67 116.80 1x2l s ASP 18 Ca 0.66 0.64 -0.11 0.00 0.71 0.00 0.00 52.55 54.45 1x2l s ASP 18 Cb -0.61 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 40.76 1x2l s ASP 18 CO 0.50 -1.88 1.51 0.71 0.21 0.00 0.00 175.17 176.23 1x2l h THR 19 N 6.66 1.27 0.00 -1.27 1.35 -1.89 -0.50 112.91 118.53 1x2l h THR 19 Ca -0.28 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.15 1x2l h THR 19 Cb 1.14 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1x2l h THR 19 CO 1.14 0.48 -0.05 0.00 -0.25 0.00 0.00 175.52 176.84 1x2l h ALA 20 N 0.82 1.10 0.00 6.62 0.00 -1.85 0.53 119.26 126.47 1x2l h ALA 20 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x2l h ALA 20 Cb 0.83 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1x2l h ALA 20 CO 0.07 0.07 -0.11 1.49 0.00 0.00 0.00 179.25 180.77 1x2l h GLU 21 N 0.00 0.00 -0.65 0.00 4.81 -1.88 -2.55 114.58 114.31 1x2l h GLU 21 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1x2l h GLU 21 Cb 0.33 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1x2l h GLU 21 CO 0.01 0.72 0.34 0.82 -0.73 0.00 0.00 179.01 180.17 1x2l h ILE 22 N -1.00 0.92 -0.40 2.32 2.04 -0.86 0.25 117.51 120.79 1x2l h ILE 22 Ca -0.03 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1x2l h ILE 22 Cb 0.76 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1x2l h ILE 22 CO -0.02 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.46 1x2l h ALA 23 N 1.36 0.50 0.36 1.87 0.00 -1.03 -0.60 119.26 121.72 1x2l h ALA 23 Ca 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1x2l h ALA 23 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x2l h ALA 23 CO -0.21 -0.14 -0.17 0.35 0.00 0.00 0.00 179.25 179.08 1x2l h PHE 24 N 0.43 -0.45 -0.94 0.00 3.57 -0.78 -1.44 116.94 117.34 1x2l h PHE 24 Ca 0.17 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1x2l h PHE 24 Cb 0.05 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1x2l h PHE 24 CO -0.09 -0.22 0.61 1.96 -2.23 0.00 0.00 178.31 178.33 1x2l h GLN 25 N -0.58 1.01 0.06 1.11 4.20 -0.46 0.40 115.11 120.84 1x2l h GLN 25 Ca -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1x2l h GLN 25 Cb 0.43 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1x2l h GLN 25 CO 0.08 0.67 -0.03 0.28 -0.67 0.00 0.00 178.83 179.16 1x2l h VAL 26 N 1.04 1.12 -0.40 -0.54 2.07 -1.04 -1.50 116.25 116.99 1x2l h VAL 26 Ca 0.41 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1x2l h VAL 26 Cb 0.25 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1x2l h VAL 26 CO -0.17 0.15 0.06 0.11 0.02 0.00 0.00 177.57 177.73 1x2l h LYS 27 N -0.34 0.17 -0.15 1.57 1.57 -0.06 -1.30 116.57 118.04 1x2l h LYS 27 Ca -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1x2l h LYS 27 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1x2l h LYS 27 CO 0.01 0.11 -0.02 1.05 -0.57 0.00 0.00 179.45 180.03 1x2l h GLU 28 N 0.18 0.27 -0.59 3.15 -0.00 -1.00 -2.01 114.58 114.58 1x2l h GLU 28 Ca 0.20 -0.10 0.06 0.00 -0.00 0.00 0.00 59.36 59.52 1x2l h GLU 28 Cb 0.25 -0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 28.93 1x2l h GLU 28 CO -0.28 0.54 0.30 1.96 -0.00 0.00 0.00 179.01 181.53 1x2l h GLN 29 N -0.02 0.54 -0.06 1.06 1.08 -1.10 0.43 115.11 117.04 1x2l h GLN 29 Ca 0.04 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1x2l h GLN 29 Cb 0.43 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1x2l h GLN 29 CO 0.01 0.36 0.02 -0.07 -0.95 0.00 0.00 178.83 178.19 1x2l h LEU 30 N 0.55 0.08 -1.65 1.46 3.38 -1.19 -1.98 115.31 115.96 1x2l h LEU 30 Ca 0.27 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x2l h LEU 30 Cb 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1x2l h LEU 30 CO -0.20 0.27 0.29 0.25 0.09 0.00 0.00 178.44 179.15 1x2l h LEU 31 N -0.11 0.39 -2.84 1.67 6.46 -0.87 0.35 115.31 120.36 1x2l h LEU 31 Ca 0.02 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1x2l h LEU 31 Cb 0.22 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1x2l h LEU 31 CO -0.00 0.26 0.05 0.50 -0.62 0.00 0.00 178.44 178.63 1x2l h LYS 32 N 0.45 0.00 0.00 1.25 3.64 0.62 -0.89 116.57 121.64 1x2l h LYS 32 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1x2l h LYS 32 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1x2l h LYS 32 CO -0.04 0.00 -0.12 0.72 -2.27 0.00 0.00 179.45 177.73 1x2l n HIS 33 N -3.09 0.00 -3.88 1.91 8.25 -0.78 -5.03 115.22 112.60 1x2l n HIS 33 Ca -0.03 -0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 56.60 1x2l n HIS 33 Cb 0.11 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.18 1x2l n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x2l n ASN 34 N -0.58 -4.77 -4.93 0.41 4.13 -0.18 -5.02 115.26 104.32 1x2l n ASN 34 Ca 0.05 -1.15 -0.27 0.00 1.68 0.00 0.00 54.58 54.89 1x2l n ASN 34 Cb 0.53 -2.48 -0.03 0.00 -1.54 0.00 0.00 39.78 36.25 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x2l s ILE 35 N -3.47 5.27 0.08 2.41 1.01 0.11 -4.96 121.20 121.64 1x2l s ILE 35 Ca 0.47 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1x2l s ILE 35 Cb -0.21 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1x2l s ILE 35 CO 0.92 -0.10 0.16 -0.83 0.00 0.00 0.00 174.94 175.09 1x2l s GLY 36 N -3.10 2.05 0.22 6.18 0.00 -1.26 -4.40 107.32 107.01 1x2l s GLY 36 Ca 0.37 -0.95 0.24 0.00 0.00 0.00 0.00 44.72 44.38 1x2l s GLY 36 CO 0.29 -0.94 1.73 -1.06 0.00 0.00 0.00 173.10 173.12 1x2l n GLN 37 N 0.23 0.21 0.16 2.90 6.02 -1.26 -3.34 117.38 122.31 1x2l n GLN 37 Ca -0.07 0.33 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1x2l n GLN 37 Cb 0.52 -1.82 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 1x2l n GLN 37 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1x2l h ARG 38 N 0.00 -0.46 -0.36 -1.09 2.43 -1.96 -2.79 114.38 110.16 1x2l h ARG 38 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1x2l h ARG 38 Cb 0.50 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1x2l h ARG 38 CO 0.00 -0.18 0.08 0.28 -1.51 0.00 0.00 179.97 178.64 1x2l h VAL 39 N -1.03 0.84 -0.89 0.20 2.07 -1.97 -0.31 116.25 115.16 1x2l h VAL 39 Ca -0.05 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1x2l h VAL 39 Cb 0.49 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1x2l h VAL 39 CO 0.08 0.04 0.57 0.15 0.02 0.00 0.00 177.57 178.43 1x2l h PHE 40 N 0.21 1.06 0.00 1.57 3.04 -1.66 0.20 116.94 121.36 1x2l h PHE 40 Ca 0.17 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.05 1x2l h PHE 40 Cb 0.18 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1x2l h PHE 40 CO -0.18 0.58 -0.47 0.78 -2.02 0.00 0.00 178.31 177.00 1x2l h GLY 41 N 1.07 0.00 1.12 2.40 0.00 -1.10 -0.38 103.07 106.18 1x2l h GLY 41 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.48 1x2l h GLY 41 CO -0.14 0.00 -0.81 0.84 0.00 0.00 0.00 176.54 176.43 1x2l h HIS 42 N 0.00 0.99 0.00 5.60 -0.00 0.19 0.49 115.15 122.43 1x2l h HIS 42 Ca -0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1x2l h HIS 42 Cb 1.07 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 1x2l h HIS 42 CO 0.00 1.30 -0.32 0.66 -0.00 0.00 0.00 177.93 179.57 1x2l n TYR 43 N -3.97 0.51 -0.04 5.26 4.02 0.58 -3.10 117.16 120.42 1x2l n TYR 43 Ca -0.09 0.22 -0.08 0.00 -0.01 0.00 0.00 57.90 57.94 1x2l n TYR 43 Cb 0.76 -0.54 0.08 0.00 -0.02 0.00 0.00 39.34 39.63 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 -0.59 1.29 0.00 -0.72 2.07 -1.26 -3.37 116.25 113.66 1x2l h VAL 44 Ca 0.00 -1.53 -0.23 0.00 0.82 0.00 0.00 66.70 65.76 1x2l h VAL 44 Cb 0.32 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1x2l h VAL 44 CO 0.00 0.49 -1.81 0.18 0.02 0.00 0.00 177.57 176.45 1x2l n LEU 45 N -4.05 2.24 -0.54 2.57 4.77 -1.16 -4.93 117.00 115.91 1x2l n LEU 45 Ca -0.02 0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1x2l n LEU 45 Cb 0.51 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1x2l n LEU 45 CO 0.46 0.57 -0.03 0.61 -1.33 0.00 0.00 177.39 177.67 1x2l n GLY 46 N 2.53 0.30 3.74 -0.72 0.00 0.15 -4.98 105.19 106.20 1x2l n GLY 46 Ca -0.27 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.26 3.53 0.89 0.99 1.43 0.16 -4.95 118.68 119.46 1x2l s LEU 47 Ca 0.02 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 1x2l s LEU 47 Cb -0.01 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.27 1x2l s LEU 47 CO 0.02 -0.01 1.13 -0.55 0.23 0.00 0.00 176.35 177.17 1x2l s SER 48 N -3.68 3.23 0.25 2.29 0.15 -1.26 -4.26 113.70 110.42 1x2l s SER 48 Ca 0.32 2.05 -0.03 0.00 0.70 0.00 0.00 55.95 58.99 1x2l s SER 48 Cb -0.07 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.15 1x2l s SER 48 CO 0.22 -2.89 1.79 1.56 1.20 0.00 0.00 173.24 175.13 1x2l h GLN 49 N -1.72 0.71 0.00 5.44 4.20 -1.95 -0.65 115.11 121.14 1x2l h GLN 49 Ca -0.44 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1x2l h GLN 49 Cb 1.26 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1x2l h GLN 49 CO 0.45 0.47 -0.75 0.41 -0.67 0.00 0.00 178.83 178.73 1x2l n GLY 50 N -1.32 -1.12 0.39 3.46 0.00 -1.26 -4.29 105.19 101.05 1x2l n GLY 50 Ca 0.15 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1x2l n GLY 50 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x2l h SER 51 N 0.00 -0.81 -0.42 1.61 0.02 -1.45 -1.43 113.55 111.07 1x2l h SER 51 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1x2l h SER 51 Cb 0.50 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1x2l h SER 51 CO 0.00 -0.51 0.18 -0.37 -1.14 0.00 0.00 176.83 174.99 1x2l h VAL 52 N -1.08 1.18 -0.98 2.27 -1.51 -1.78 -1.84 116.25 112.52 1x2l h VAL 52 Ca -0.10 -0.58 0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1x2l h VAL 52 Cb 0.76 0.63 -0.05 0.00 -2.13 0.00 0.00 31.29 30.50 1x2l h VAL 52 CO 0.16 0.22 0.64 -1.28 -1.23 0.00 0.00 177.57 176.09 1x2l h SER 53 N 0.67 1.09 -0.37 4.19 0.87 -1.72 0.17 113.55 118.45 1x2l h SER 53 Ca 0.16 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1x2l h SER 53 Cb 0.15 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1x2l h SER 53 CO -0.01 0.77 0.23 -0.08 -0.53 0.00 0.00 176.83 177.20 1x2l h GLU 54 N 1.28 0.45 -0.22 2.24 4.81 -0.46 -0.64 114.58 122.05 1x2l h GLU 54 Ca 0.37 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1x2l h GLU 54 Cb -0.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1x2l h GLU 54 CO -0.10 0.30 0.15 0.82 -0.73 0.00 0.00 179.01 179.45 1x2l h ILE 55 N 0.47 0.92 0.00 2.32 2.04 -0.40 0.35 117.51 123.21 1x2l h ILE 55 Ca 0.14 -0.02 -0.17 0.00 1.00 0.00 0.00 64.86 65.82 1x2l h ILE 55 Cb -0.02 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1x2l h ILE 55 CO -0.06 0.01 -1.24 -0.07 0.00 0.00 0.00 178.15 176.79 1x2l h LEU 56 N 0.05 0.00 0.20 1.44 3.38 -0.90 -2.16 115.31 117.33 1x2l h LEU 56 Ca 0.10 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 1x2l h LEU 56 Cb 0.34 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.11 1x2l h LEU 56 CO -0.01 0.61 -1.30 0.00 0.09 0.00 0.00 178.44 177.84 1x2l h ALA 57 N 1.39 -0.09 -2.22 1.53 0.00 -0.14 -3.41 119.26 116.32 1x2l h ALA 57 Ca -0.13 -0.85 -0.58 0.00 0.00 0.00 0.00 54.91 53.34 1x2l h ALA 57 Cb 1.58 0.20 -0.39 0.00 0.00 0.00 0.00 17.79 19.18 1x2l h ALA 57 CO 0.06 0.63 -0.95 0.54 0.00 0.00 0.00 179.25 179.53 1x2l n ARG 58 N -3.85 0.94 -2.04 0.00 5.12 0.12 -5.05 116.66 111.89 1x2l n ARG 58 Ca -0.17 -3.54 -0.33 0.00 -1.93 0.00 0.00 57.85 51.88 1x2l n ARG 58 Cb 1.00 -1.59 -0.04 0.00 -1.16 0.00 0.00 32.46 30.67 1x2l n ARG 58 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1x2l s PRO 59 N -1.06 2.58 0.72 5.56 0.04 -0.81 -4.38 135.00 137.65 1x2l s PRO 59 Ca 0.34 0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 1x2l s PRO 59 Cb 0.11 -4.71 0.03 0.00 0.04 0.00 0.00 34.50 29.97 1x2l s PRO 59 CO -0.12 -3.05 1.14 0.15 0.04 0.00 0.00 177.00 175.15 1x2l s LYS 60 N 7.04 2.40 0.63 4.56 1.02 -1.26 -4.55 119.74 129.58 1x2l s LYS 60 Ca 0.69 1.47 -0.18 0.00 0.02 0.00 0.00 55.97 57.96 1x2l s LYS 60 Cb -0.10 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1x2l s LYS 60 CO 0.11 -1.58 1.19 -2.30 -0.92 0.00 0.00 175.35 171.85 1x2l n PRO 61 N -2.81 1.08 -0.13 -1.68 -0.02 -1.26 -4.73 135.00 125.46 1x2l n PRO 61 Ca 0.11 0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.97 1x2l n PRO 61 Cb 0.52 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.57 -0.27 0.00 6.00 2.91 -1.93 -0.08 115.95 123.15 1x2l h TRP 62 Ca -0.50 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.56 1x2l h TRP 62 Cb 1.35 0.18 0.00 0.00 -0.51 0.00 0.00 29.16 30.18 1x2l h TRP 62 CO 0.40 -0.20 0.00 2.89 -1.03 0.00 0.00 178.44 180.50 1x2l n ARG 63 N -5.33 0.21 -0.00 2.65 0.00 -1.26 -1.14 116.66 111.78 1x2l n ARG 63 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.97 1x2l n ARG 63 Cb 0.24 -1.40 -0.15 0.00 -0.00 0.00 0.00 32.46 31.16 1x2l n ARG 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x2l n LYS 64 N -0.90 0.66 -3.91 2.89 4.76 -0.05 -5.04 118.16 116.57 1x2l n LYS 64 Ca 0.04 -0.15 -0.31 0.00 -2.87 0.00 0.00 58.31 55.02 1x2l n LYS 64 Cb 0.02 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.61 1x2l n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x2l s LEU 65 N -4.69 4.36 0.84 -0.35 1.43 -0.30 -5.02 118.68 114.95 1x2l s LEU 65 Ca -0.07 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1x2l s LEU 65 Cb 0.13 -2.96 0.17 0.00 0.03 0.00 0.00 46.19 43.56 1x2l s LEU 65 CO 0.89 0.17 1.15 0.28 0.23 0.00 0.00 176.35 179.07 1x2l s THR 66 N -1.51 2.02 0.16 5.49 -1.32 -1.26 -4.77 115.64 114.45 1x2l s THR 66 Ca 0.35 -0.38 -0.29 0.00 -1.21 0.00 0.00 61.69 60.16 1x2l s THR 66 Cb -0.13 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.19 1x2l s THR 66 CO 0.27 0.00 1.55 1.62 -2.21 0.00 0.00 174.62 175.86 1x2l h VAL 67 N -1.04 0.02 0.00 5.08 3.04 -1.98 0.16 116.25 121.53 1x2l h VAL 67 Ca -0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1x2l h VAL 67 Cb 1.24 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1x2l h VAL 67 CO 0.36 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.03 1x2l h LYS 68 N -0.18 0.00 0.12 4.17 1.57 -1.99 0.33 116.57 120.58 1x2l h LYS 68 Ca 0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 1x2l h LYS 68 Cb 0.53 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.86 1x2l h LYS 68 CO -0.77 0.00 -1.24 0.78 -0.57 0.00 0.00 179.45 177.64 1x2l h GLY 69 N 1.03 0.69 1.65 3.86 0.00 -1.21 -3.37 103.07 105.71 1x2l h GLY 69 Ca 0.00 -1.44 -0.12 0.00 0.00 0.00 0.00 47.33 45.77 1x2l h GLY 69 CO 0.00 1.26 -0.81 0.50 0.00 0.00 0.00 176.54 177.50 1x2l h LYS 70 N 0.27 0.00 -0.61 4.80 1.57 0.12 -3.39 116.57 119.33 1x2l h LYS 70 Ca -0.19 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1x2l h LYS 70 Cb 1.91 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 34.11 1x2l h LYS 70 CO 0.24 0.42 -0.30 1.49 -0.57 0.00 0.00 179.45 180.72 1x2l h GLU 71 N 0.00 -0.13 -0.15 3.15 4.81 -0.62 -0.14 114.58 121.51 1x2l h GLU 71 Ca -0.05 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1x2l h GLU 71 Cb 1.44 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1x2l h GLU 71 CO 0.06 -0.08 0.09 -1.00 -0.73 0.00 0.00 179.01 177.34 1x2l h PRO 72 N -0.13 0.21 -0.27 0.92 0.13 -1.82 -2.63 132.00 128.41 1x2l h PRO 72 Ca 0.25 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.32 1x2l h PRO 72 Cb 0.54 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1x2l h PRO 72 CO -0.69 0.20 -0.01 0.74 -0.23 0.00 0.00 178.00 178.01 1x2l h PHE 73 N 0.16 0.42 0.45 1.56 0.04 -1.33 0.17 116.94 118.41 1x2l h PHE 73 Ca 0.05 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1x2l h PHE 73 Cb 0.05 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1x2l h PHE 73 CO -0.05 0.43 -0.22 0.82 -0.60 0.00 0.00 178.31 178.69 1x2l h ILE 74 N 0.40 0.56 -0.20 -0.55 2.04 -0.96 0.73 117.51 119.53 1x2l h ILE 74 Ca 0.09 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1x2l h ILE 74 Cb 0.27 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1x2l h ILE 74 CO 0.01 0.01 -0.14 0.11 0.00 0.00 0.00 178.15 178.14 1x2l h LYS 75 N -0.63 -0.13 -0.28 2.37 1.57 -0.99 -2.06 116.57 116.42 1x2l h LYS 75 Ca -0.06 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1x2l h LYS 75 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1x2l h LYS 75 CO 0.10 -0.09 0.17 0.52 -0.57 0.00 0.00 179.45 179.59 1x2l h MET 76 N -0.14 0.38 -0.90 3.15 2.86 -0.61 0.93 114.93 120.61 1x2l h MET 76 Ca 0.12 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1x2l h MET 76 Cb 0.31 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1x2l h MET 76 CO -0.28 0.30 0.59 -0.22 1.06 0.00 0.00 176.91 178.36 1x2l h LYS 77 N 0.36 1.11 -0.25 1.72 3.64 -0.58 -0.62 116.57 121.96 1x2l h LYS 77 Ca 0.10 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 1x2l h LYS 77 Cb 0.01 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1x2l h LYS 77 CO -0.02 0.73 -0.53 1.96 -2.27 0.00 0.00 179.45 179.33 1x2l h GLN 78 N 1.14 0.72 -0.79 1.90 4.20 -0.86 -2.18 115.11 119.25 1x2l h GLN 78 Ca 0.35 -0.44 0.11 0.00 0.06 0.00 0.00 58.65 58.73 1x2l h GLN 78 Cb -0.01 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.74 1x2l h GLN 78 CO -0.10 1.06 0.42 0.35 -0.67 0.00 0.00 178.83 179.90 1x2l h PHE 79 N 0.55 0.76 0.00 2.96 3.04 -0.31 -0.85 116.94 123.10 1x2l h PHE 79 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1x2l h PHE 79 Cb 1.10 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.39 1x2l h PHE 79 CO 0.06 0.27 0.00 1.28 -2.02 0.00 0.00 178.31 177.90 1x2l n LEU 80 N -4.81 0.50 -0.05 0.59 4.77 -0.29 -3.24 117.00 114.47 1x2l n LEU 80 Ca 0.14 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 1x2l n LEU 80 Cb 0.31 -0.47 0.67 0.00 -2.33 0.00 0.00 43.42 41.61 1x2l n LEU 80 CO 0.25 -0.29 0.94 -1.20 -1.33 0.00 0.00 177.39 175.75 1x2l n SER 81 N -2.00 0.15 -3.66 -1.43 7.64 -0.32 -4.62 113.62 109.37 1x2l n SER 81 Ca 0.04 -1.30 -0.09 0.00 1.01 0.00 0.00 58.87 58.53 1x2l n SER 81 Cb 0.30 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 1x2l n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x2l s ASP 82 N -1.74 -0.77 0.57 6.43 -1.08 -1.20 -5.04 116.67 113.84 1x2l s ASP 82 Ca 0.35 1.31 0.27 0.00 -0.52 0.00 0.00 52.55 53.96 1x2l s ASP 82 Cb 0.16 1.21 1.60 0.00 -1.46 0.00 0.00 42.92 44.44 1x2l s ASP 82 CO 0.27 -0.22 2.11 -0.08 0.52 0.00 0.00 175.17 177.77 1x2l h GLU 83 N 6.61 0.00 -0.51 4.34 4.81 -1.82 -2.42 114.58 125.59 1x2l h GLU 83 Ca -0.31 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1x2l h GLU 83 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1x2l h GLU 83 CO 0.18 0.00 0.41 1.96 -0.73 0.00 0.00 179.01 180.83 1x2l h GLN 84 N 0.00 0.00 0.02 1.92 1.08 -1.96 -0.53 115.11 115.64 1x2l h GLN 84 Ca 0.09 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1x2l h GLN 84 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1x2l h GLN 84 CO -0.00 0.00 -0.01 -0.91 -0.95 0.00 0.00 178.83 176.96 1x2l h ASN 85 N 0.00 -0.02 -0.01 1.46 2.35 -1.66 -0.27 115.58 117.42 1x2l h ASN 85 Ca 0.24 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1x2l h ASN 85 Cb 1.05 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1x2l h ASN 85 CO -0.00 0.22 -0.35 1.62 -1.65 0.00 0.00 177.43 177.27 1x2l h VAL 86 N -0.27 1.29 -0.15 2.81 3.04 -1.48 -2.40 116.25 119.08 1x2l h VAL 86 Ca -0.00 -1.46 0.01 0.00 -1.01 0.00 0.00 66.70 64.23 1x2l h VAL 86 Cb 0.26 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 1x2l h VAL 86 CO 0.00 0.46 0.09 -0.07 -1.01 0.00 0.00 177.57 177.04 1x2l h LEU 87 N 0.42 0.14 -1.10 3.16 3.38 -1.01 -2.24 115.31 118.06 1x2l h LEU 87 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1x2l h LEU 87 Cb 0.81 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1x2l h LEU 87 CO 0.07 0.11 0.48 0.00 0.09 0.00 0.00 178.44 179.19 1x2l h ALA 88 N 1.07 1.33 0.00 1.53 0.00 -0.88 -2.30 119.26 120.01 1x2l h ALA 88 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x2l h ALA 88 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1x2l h ALA 88 CO -0.03 0.58 -0.11 -0.07 0.00 0.00 0.00 179.25 179.62 1x2l h LEU 89 N 1.12 0.00 -0.16 0.00 -0.00 -0.90 -2.63 115.31 112.74 1x2l h LEU 89 Ca 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.19 1x2l h LEU 89 Cb -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 1x2l h LEU 89 CO -0.05 0.11 0.04 0.03 -0.00 0.00 0.00 178.44 178.56 1x2l h ARG 90 N 0.00 0.11 -0.62 1.13 3.08 -1.07 -1.73 114.38 115.28 1x2l h ARG 90 Ca -0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1x2l h ARG 90 Cb 0.32 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1x2l h ARG 90 CO 0.01 0.07 0.31 1.15 -1.07 0.00 0.00 179.97 180.45 1x2l h THR 91 N 0.11 0.90 -0.10 2.04 2.02 -1.60 -1.85 112.91 114.44 1x2l h THR 91 Ca 0.07 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1x2l h THR 91 Cb 0.05 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1x2l h THR 91 CO -0.08 0.10 -0.10 0.40 0.37 0.00 0.00 175.52 176.21 1x2l h ILE 92 N 0.57 1.13 -0.05 3.11 2.04 -1.44 -0.97 117.51 121.90 1x2l h ILE 92 Ca 0.29 -0.56 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 1x2l h ILE 92 Cb 0.24 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1x2l h ILE 92 CO -0.21 0.17 -0.55 -0.61 0.00 0.00 0.00 178.15 176.94 1x2l h GLN 93 N 0.14 0.15 -0.56 2.37 5.75 -0.51 -1.71 115.11 120.73 1x2l h GLN 93 Ca 0.03 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.33 1x2l h GLN 93 Cb 0.26 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1x2l h GLN 93 CO 0.01 0.66 -0.09 -0.39 -2.65 0.00 0.00 178.83 176.38 1x2l h VAL 94 N 0.11 1.27 0.00 2.39 -1.51 -0.78 -2.90 116.25 114.83 1x2l h VAL 94 Ca -0.00 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 1x2l h VAL 94 Cb 1.01 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1x2l h VAL 94 CO 0.08 0.45 0.00 0.54 -1.23 0.00 0.00 177.57 177.41 1x2l n ARG 95 N -4.15 0.83 -1.47 5.19 1.74 -0.53 -4.82 116.66 113.45 1x2l n ARG 95 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 1x2l n ARG 95 Cb 0.40 -1.08 0.11 0.00 -1.02 0.00 0.00 32.46 30.86 1x2l n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x2l s SER 96 N -0.98 4.10 1.07 0.55 0.15 -0.69 -5.00 113.70 112.91 1x2l s SER 96 Ca 0.00 1.29 -0.14 0.00 0.70 0.00 0.00 55.95 57.80 1x2l s SER 96 Cb 0.00 -1.99 0.23 0.00 -1.71 0.00 0.00 66.02 62.55 1x2l s SER 96 CO 0.00 -2.21 1.08 -0.83 1.20 0.00 0.00 173.24 172.48 1x2l s GLY 97 N -3.81 1.56 0.02 9.45 0.00 -1.26 -5.00 107.32 108.27 1x2l s GLY 97 Ca 0.62 -0.44 -0.15 0.00 0.00 0.00 0.00 44.72 44.75 1x2l s GLY 97 CO 0.55 0.24 1.06 -0.56 0.00 0.00 0.00 173.10 174.39 1x2l h PRO 98 N -2.17 -0.51 -5.91 2.90 0.13 -1.97 -3.49 132.00 120.97 1x2l h PRO 98 Ca -0.55 0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1x2l h PRO 98 Cb 1.33 0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.58 1x2l h PRO 98 CO 0.53 -0.34 -0.94 -1.13 -0.23 0.00 0.00 178.00 175.89 1x2l n SER 99 N -3.64 -6.88 -3.78 1.44 3.41 -1.26 -5.03 113.62 97.88 1x2l n SER 99 Ca -0.07 0.46 -0.30 0.00 -0.26 0.00 0.00 58.87 58.71 1x2l n SER 99 Cb 0.21 -3.30 -0.15 0.00 -0.26 0.00 0.00 64.21 60.70 1x2l n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x2l s SER 100 N -1.68 3.88 0.00 4.04 1.04 -1.26 -5.29 113.70 114.43 1x2l s SER 100 Ca 0.19 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1x2l s SER 100 Cb -0.03 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1x2l s SER 100 CO 0.63 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.08