#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 0.00 0.00 1.61 2.88 -1.26 -5.08 113.62 111.78 1x2l n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x2l n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x2l n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x2l n SER 3 N 0.00 0.00 0.00 -3.46 2.88 -1.26 -4.84 113.62 106.94 1x2l n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x2l n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x2l n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2l n GLY 4 N -0.12 0.59 0.48 0.46 0.00 -1.26 -5.02 105.19 100.32 1x2l n GLY 4 Ca 0.00 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.85 -4.63 1.61 7.64 -1.26 -5.06 113.62 112.76 1x2l n SER 5 Ca 0.00 -2.40 -0.30 0.00 1.01 0.00 0.00 58.87 57.18 1x2l n SER 5 Cb 0.00 -0.29 0.18 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.74 2.53 0.00 6.43 1.04 -1.26 -4.86 113.70 115.85 1x2l s SER 6 Ca 0.14 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.48 1x2l s SER 6 Cb 0.13 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1x2l s SER 6 CO -0.01 -3.30 0.00 0.61 0.98 0.00 0.00 173.24 171.52 1x2l n GLY 7 N 0.15 1.03 3.42 7.32 0.00 -1.26 -5.17 105.19 110.68 1x2l n GLY 7 Ca 0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.21 0.00 4.61 0.00 -1.26 -5.12 121.76 119.78 1x2l s ALA 8 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1x2l s ALA 8 Cb 0.00 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1x2l s ALA 8 CO 0.00 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1x2l n GLY 9 N -0.27 1.50 3.79 0.00 0.00 -1.26 -5.16 105.19 103.79 1x2l n GLY 9 Ca -0.07 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1x2l n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2l s PRO 10 N -0.01 1.28 0.00 1.61 0.04 -1.26 -5.11 135.00 131.55 1x2l s PRO 10 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1x2l s PRO 10 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1x2l s PRO 10 CO 0.00 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1x2l n GLY 11 N -2.22 -0.31 3.29 0.56 0.00 -1.26 -5.13 105.19 100.12 1x2l n GLY 11 Ca 0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 1.76 0.27 4.61 0.00 -1.26 -5.08 121.76 120.07 1x2l s ALA 12 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1x2l s ALA 12 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1x2l s ALA 12 CO 0.00 0.11 0.00 -1.91 0.00 0.00 0.00 175.76 173.96 1x2l n GLU 13 N 0.18 -2.34 -2.29 0.00 2.13 -1.26 -4.62 120.64 112.45 1x2l n GLU 13 Ca -0.13 1.54 -0.42 0.00 0.66 0.00 0.00 57.16 58.81 1x2l n GLU 13 Cb 0.58 -2.85 -0.03 0.00 0.27 0.00 0.00 31.44 29.41 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 -1.90 4.25 0.00 5.31 2.12 -1.26 -5.02 118.70 122.21 1x2l s GLU 14 Ca 0.00 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.19 1x2l s GLU 14 Cb 0.00 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1x2l s GLU 14 CO 0.00 -0.66 0.00 -0.85 -0.54 0.00 0.00 175.26 173.21 1x2l n GLU 15 N 6.13 1.66 -3.68 4.30 0.28 -1.26 -5.12 120.64 122.95 1x2l n GLU 15 Ca 0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.77 1x2l n GLU 15 Cb 0.44 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.25 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 -1.18 3.91 -0.08 3.44 -0.21 -1.26 -5.10 119.66 119.18 1x2l s GLN 16 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.44 1x2l s GLN 16 Cb 0.00 -3.31 0.01 0.00 1.00 0.00 0.00 33.01 30.71 1x2l s GLN 16 CO 0.00 0.51 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.00 1x2l s LEU 17 N -0.33 1.84 -0.48 2.90 1.43 -1.26 -5.08 118.68 117.70 1x2l s LEU 17 Ca 0.16 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1x2l s LEU 17 Cb -0.13 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1x2l s LEU 17 CO 0.05 0.09 1.47 -1.81 0.23 0.00 0.00 176.35 176.37 1x2l s ASP 18 N 0.53 6.16 0.15 2.29 1.01 -1.26 -4.57 116.67 120.98 1x2l s ASP 18 Ca -0.16 0.61 -0.14 0.00 0.71 0.00 0.00 52.55 53.57 1x2l s ASP 18 Cb -0.17 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.25 1x2l s ASP 18 CO 0.06 -1.62 1.70 0.71 0.21 0.00 0.00 175.17 176.23 1x2l h THR 19 N 6.48 1.20 0.00 -1.27 1.35 -1.93 0.74 112.91 119.49 1x2l h THR 19 Ca -0.28 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1x2l h THR 19 Cb 1.11 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1x2l h THR 19 CO 1.13 0.23 0.00 0.00 -0.25 0.00 0.00 175.52 176.63 1x2l n ALA 20 N -2.32 1.89 -0.08 6.62 0.00 -1.26 -0.42 120.51 124.94 1x2l n ALA 20 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1x2l n ALA 20 Cb 0.15 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 1x2l n ALA 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x2l h GLU 21 N 0.00 0.00 -0.34 0.00 4.81 -1.74 -3.32 114.58 113.99 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 0.28 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 1x2l h GLU 21 CO 0.00 0.55 -0.13 0.82 -0.73 0.00 0.00 179.01 179.53 1x2l h ILE 22 N -1.00 0.57 -0.56 2.32 2.04 -0.52 0.25 117.51 120.60 1x2l h ILE 22 Ca -0.17 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1x2l h ILE 22 Cb 0.89 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1x2l h ILE 22 CO -0.10 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.43 1x2l h ALA 23 N 1.24 2.03 0.18 1.87 0.00 -0.96 0.11 119.26 123.73 1x2l h ALA 23 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1x2l h ALA 23 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x2l h ALA 23 CO -0.38 -0.16 -0.09 0.35 0.00 0.00 0.00 179.25 178.97 1x2l h PHE 24 N 0.37 -0.22 -0.83 0.00 3.57 -1.19 -2.93 116.94 115.71 1x2l h PHE 24 Ca 0.26 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.96 1x2l h PHE 24 Cb 0.53 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1x2l h PHE 24 CO -0.00 0.03 0.57 1.96 -2.23 0.00 0.00 178.31 178.64 1x2l h GLN 25 N -1.02 0.23 0.45 1.11 4.20 -0.02 0.11 115.11 120.16 1x2l h GLN 25 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1x2l h GLN 25 Cb 0.35 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1x2l h GLN 25 CO 0.04 0.15 -0.21 0.28 -0.67 0.00 0.00 178.83 178.42 1x2l h VAL 26 N 0.23 0.38 -0.92 -0.54 2.07 -0.93 -2.23 116.25 114.31 1x2l h VAL 26 Ca 0.42 -0.53 0.17 0.00 0.82 0.00 0.00 66.70 67.57 1x2l h VAL 26 Cb 1.27 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 1x2l h VAL 26 CO -0.10 0.07 0.51 0.11 0.02 0.00 0.00 177.57 178.18 1x2l h LYS 27 N -0.98 0.66 0.28 1.57 1.57 -0.72 -0.05 116.57 118.89 1x2l h LYS 27 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1x2l h LYS 27 Cb 0.57 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1x2l h LYS 27 CO 0.10 0.43 -0.50 0.93 -0.57 0.00 0.00 179.45 179.85 1x2l h GLU 28 N 0.68 -0.81 -0.78 3.15 4.39 -0.96 -2.22 114.58 118.03 1x2l h GLU 28 Ca 0.52 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 60.25 1x2l h GLU 28 Cb 0.78 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 1x2l h GLU 28 CO -0.38 -0.54 0.38 1.96 -1.16 0.00 0.00 179.01 179.27 1x2l h GLN 29 N -0.84 1.10 -0.18 2.33 1.08 -0.50 0.27 115.11 118.37 1x2l h GLN 29 Ca -0.02 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1x2l h GLN 29 Cb 0.79 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1x2l h GLN 29 CO -0.18 0.84 0.10 -0.07 -0.95 0.00 0.00 178.83 178.57 1x2l h LEU 30 N 1.10 0.22 -1.09 1.46 3.38 -1.06 -2.01 115.31 117.30 1x2l h LEU 30 Ca 0.27 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1x2l h LEU 30 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1x2l h LEU 30 CO -0.04 0.22 0.32 0.25 0.09 0.00 0.00 178.44 179.27 1x2l h LEU 31 N 0.20 0.86 -1.65 1.67 6.46 -0.80 0.30 115.31 122.36 1x2l h LEU 31 Ca 0.06 -0.09 0.11 0.00 -0.12 0.00 0.00 57.88 57.84 1x2l h LEU 31 Cb 0.04 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.71 1x2l h LEU 31 CO -0.01 0.74 0.42 0.50 -0.62 0.00 0.00 178.44 179.47 1x2l h LYS 32 N 0.95 0.38 0.00 1.25 3.64 0.23 -2.68 116.57 120.33 1x2l h LYS 32 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1x2l h LYS 32 Cb 0.11 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1x2l h LYS 32 CO -0.03 0.25 -0.01 0.72 -2.27 0.00 0.00 179.45 178.11 1x2l n HIS 33 N -4.47 0.00 -3.51 1.91 8.25 -0.97 -5.04 115.22 111.40 1x2l n HIS 33 Ca 0.11 -0.47 -0.17 0.00 -0.26 0.00 0.00 57.72 56.93 1x2l n HIS 33 Cb 0.42 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.51 -6.01 -4.64 0.41 3.02 -0.06 -4.99 115.26 102.48 1x2l n ASN 34 Ca 0.02 -0.65 -0.25 0.00 -0.03 0.00 0.00 54.58 53.67 1x2l n ASN 34 Cb 0.34 -3.27 -0.08 0.00 -0.61 0.00 0.00 39.78 36.17 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1x2l s ILE 35 N -3.07 3.53 -0.12 2.41 1.01 0.86 -5.00 121.20 120.83 1x2l s ILE 35 Ca 0.08 -1.62 -0.17 0.00 0.00 0.00 0.00 60.65 58.93 1x2l s ILE 35 Cb -0.03 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1x2l s ILE 35 CO 0.84 -0.19 0.45 -0.83 0.00 0.00 0.00 174.94 175.20 1x2l s GLY 36 N -3.15 2.37 0.40 6.18 0.00 -1.26 -4.65 107.32 107.21 1x2l s GLY 36 Ca 0.28 -0.23 0.16 0.00 0.00 0.00 0.00 44.72 44.93 1x2l s GLY 36 CO 0.18 0.68 1.84 -1.61 0.00 0.00 0.00 173.10 174.19 1x2l h GLN 37 N 6.57 0.45 0.31 2.90 4.15 -1.99 -2.55 115.11 124.96 1x2l h GLN 37 Ca -0.42 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.97 1x2l h GLN 37 Cb 1.18 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1x2l h GLN 37 CO 0.75 0.30 -0.23 0.07 -1.93 0.00 0.00 178.83 177.79 1x2l h ARG 38 N 0.47 -0.52 -0.49 1.69 0.11 -1.94 0.92 114.38 114.62 1x2l h ARG 38 Ca 0.49 0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.60 1x2l h ARG 38 Cb 1.15 0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 1x2l h ARG 38 CO -0.21 -0.34 0.27 0.28 0.10 0.00 0.00 179.97 180.06 1x2l h VAL 39 N -0.54 1.17 -0.07 0.08 2.07 -1.91 0.11 116.25 117.16 1x2l h VAL 39 Ca -0.03 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1x2l h VAL 39 Cb 0.46 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1x2l h VAL 39 CO 0.01 0.18 -0.14 0.15 0.02 0.00 0.00 177.57 177.79 1x2l h PHE 40 N 0.65 -0.34 -0.04 1.57 3.57 -1.16 0.19 116.94 121.37 1x2l h PHE 40 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1x2l h PHE 40 Cb 0.05 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1x2l h PHE 40 CO -0.02 -0.20 -0.24 0.78 -2.23 0.00 0.00 178.31 176.40 1x2l h GLY 41 N -0.19 0.08 1.94 2.40 0.00 -0.56 -0.99 103.07 105.75 1x2l h GLY 41 Ca 0.07 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 1x2l h GLY 41 CO -0.19 0.05 -0.95 0.84 0.00 0.00 0.00 176.54 176.30 1x2l h HIS 42 N 0.07 0.08 0.00 5.60 -0.00 0.55 0.81 115.15 122.25 1x2l h HIS 42 Ca 0.01 -0.05 -0.36 0.00 -0.00 0.00 0.00 60.37 59.97 1x2l h HIS 42 Cb 0.47 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.82 1x2l h HIS 42 CO 0.00 0.96 -2.19 0.66 -0.00 0.00 0.00 177.93 177.36 1x2l n TYR 43 N -3.48 0.00 0.00 5.26 4.02 -0.08 -3.44 117.16 119.46 1x2l n TYR 43 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1x2l n TYR 43 Cb 0.88 -0.85 -0.13 0.00 -0.02 0.00 0.00 39.34 39.22 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 -0.92 1.57 0.02 -0.72 2.07 -1.37 -3.38 116.25 113.52 1x2l h VAL 44 Ca -0.55 -2.33 -0.36 0.00 0.82 0.00 0.00 66.70 64.28 1x2l h VAL 44 Cb 1.47 3.10 -0.06 0.00 -1.52 0.00 0.00 31.29 34.28 1x2l h VAL 44 CO -0.33 0.65 -2.19 0.18 0.02 0.00 0.00 177.57 175.90 1x2l n LEU 45 N -4.31 1.48 0.00 2.57 4.77 -1.15 -4.89 117.00 115.47 1x2l n LEU 45 Ca -0.12 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1x2l n LEU 45 Cb 0.67 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1x2l n LEU 45 CO 0.43 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1x2l n GLY 46 N 1.89 0.70 3.96 -0.72 0.00 0.26 -4.88 105.19 106.40 1x2l n GLY 46 Ca -0.33 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 4.25 0.85 0.99 1.43 0.12 -4.86 118.68 121.46 1x2l s LEU 47 Ca 0.00 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1x2l s LEU 47 Cb 0.00 -3.00 0.10 0.00 0.03 0.00 0.00 46.19 43.32 1x2l s LEU 47 CO 0.00 -0.09 1.09 -0.44 0.23 0.00 0.00 176.35 177.14 1x2l s SER 48 N -3.78 3.94 0.11 2.29 0.01 -1.26 -3.37 113.70 111.65 1x2l s SER 48 Ca 0.36 1.46 -0.21 0.00 1.31 0.00 0.00 55.95 58.86 1x2l s SER 48 Cb -0.10 -2.16 -0.09 0.00 0.21 0.00 0.00 66.02 63.89 1x2l s SER 48 CO 0.30 -2.34 1.73 -0.61 0.41 0.00 0.00 173.24 172.74 1x2l h GLN 49 N -1.34 0.05 0.00 12.44 4.15 -1.90 -1.21 115.11 127.30 1x2l h GLN 49 Ca -0.48 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1x2l h GLN 49 Cb 1.27 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 1x2l h GLN 49 CO 0.56 0.03 -0.01 0.78 -1.93 0.00 0.00 178.83 178.26 1x2l h GLY 50 N 0.05 0.00 0.33 2.39 0.00 -1.99 -0.09 103.07 103.77 1x2l h GLY 50 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1x2l h GLY 50 CO -0.08 0.00 -0.16 1.76 0.00 0.00 0.00 176.54 178.06 1x2l h SER 51 N 0.00 -0.38 -0.08 0.19 0.02 -1.72 -3.17 113.55 108.42 1x2l h SER 51 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x2l h SER 51 Cb 0.03 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1x2l h SER 51 CO 0.00 -0.08 0.05 -0.37 -1.14 0.00 0.00 176.83 175.30 1x2l h VAL 52 N -0.84 1.02 -0.95 2.27 -1.51 -1.09 -2.23 116.25 112.93 1x2l h VAL 52 Ca -0.05 -0.05 0.05 0.00 -1.23 0.00 0.00 66.70 65.42 1x2l h VAL 52 Cb 0.34 0.90 -0.06 0.00 -2.13 0.00 0.00 31.29 30.35 1x2l h VAL 52 CO 0.07 0.02 0.62 -1.28 -1.23 0.00 0.00 177.57 175.78 1x2l h SER 53 N 0.11 1.00 -0.72 4.19 0.87 -1.10 0.12 113.55 118.02 1x2l h SER 53 Ca 0.03 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1x2l h SER 53 Cb -0.01 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.69 1x2l h SER 53 CO -0.01 0.66 0.43 -0.08 -0.53 0.00 0.00 176.83 177.31 1x2l h GLU 54 N 1.14 0.79 -0.52 2.24 4.57 -1.37 0.18 114.58 121.62 1x2l h GLU 54 Ca 0.39 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.47 1x2l h GLU 54 Cb 0.10 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1x2l h GLU 54 CO -0.14 0.52 0.11 0.82 -1.18 0.00 0.00 179.01 179.15 1x2l h ILE 55 N 0.82 1.25 0.00 2.32 2.04 -0.80 -0.05 117.51 123.08 1x2l h ILE 55 Ca 0.30 -0.89 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 1x2l h ILE 55 Cb 0.10 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1x2l h ILE 55 CO -0.15 0.32 -0.82 -0.07 0.00 0.00 0.00 178.15 177.44 1x2l h LEU 56 N 0.74 0.00 0.29 1.44 3.38 -0.92 -3.11 115.31 117.12 1x2l h LEU 56 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1x2l h LEU 56 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x2l h LEU 56 CO 0.00 0.82 -0.14 0.00 0.09 0.00 0.00 178.44 179.22 1x2l h ALA 57 N 1.18 -0.38 -2.01 1.53 0.00 -0.31 -3.42 119.26 115.85 1x2l h ALA 57 Ca -0.01 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 1x2l h ALA 57 Cb 1.49 0.15 -0.40 0.00 0.00 0.00 0.00 17.79 19.02 1x2l h ALA 57 CO 0.11 -0.43 -1.08 0.54 0.00 0.00 0.00 179.25 178.39 1x2l n ARG 58 N -5.05 1.49 -1.74 0.00 1.74 -0.06 -5.07 116.66 107.97 1x2l n ARG 58 Ca -0.08 -3.70 -0.40 0.00 -0.77 0.00 0.00 57.85 52.90 1x2l n ARG 58 Cb 0.25 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 1x2l n ARG 58 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x2l s PRO 59 N -2.70 2.69 0.81 5.56 0.04 -1.17 -4.85 135.00 135.38 1x2l s PRO 59 Ca 0.41 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 1x2l s PRO 59 Cb 0.34 -4.42 0.09 0.00 0.04 0.00 0.00 34.50 30.54 1x2l s PRO 59 CO -0.09 -2.61 1.15 0.15 0.04 0.00 0.00 177.00 175.64 1x2l s LYS 60 N 7.06 1.73 0.68 4.56 1.02 -1.26 -4.54 119.74 128.99 1x2l s LYS 60 Ca 0.90 1.52 -0.16 0.00 0.02 0.00 0.00 55.97 58.25 1x2l s LYS 60 Cb -0.21 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1x2l s LYS 60 CO 0.29 -2.10 1.17 -1.25 -0.92 0.00 0.00 175.35 172.54 1x2l s PRO 61 N -4.45 2.52 0.22 -1.68 0.05 -1.26 -4.70 135.00 125.70 1x2l s PRO 61 Ca 0.68 1.62 -0.07 0.00 0.05 0.00 0.00 61.00 63.27 1x2l s PRO 61 Cb -0.23 -1.89 0.31 0.00 0.05 0.00 0.00 34.50 32.73 1x2l s PRO 61 CO 0.53 -1.51 1.79 2.35 0.05 0.00 0.00 177.00 180.21 1x2l h TRP 62 N 0.01 0.67 0.00 0.56 2.91 -1.94 0.32 115.95 118.48 1x2l h TRP 62 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.57 1x2l h TRP 62 Cb 1.28 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1x2l h TRP 62 CO 0.50 0.27 0.00 0.07 -1.03 0.00 0.00 178.44 178.25 1x2l h ARG 63 N 0.65 0.00 0.00 2.65 -0.00 -1.94 -1.78 114.38 113.96 1x2l h ARG 63 Ca 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 60.23 1x2l h ARG 63 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.26 1x2l h ARG 63 CO -0.24 0.00 -0.83 0.87 -0.00 0.00 0.00 179.97 179.77 1x2l h LYS 64 N 0.00 0.00 -6.59 0.08 1.79 -1.28 -3.47 116.57 107.10 1x2l h LYS 64 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1x2l h LYS 64 Cb 0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1x2l h LYS 64 CO 0.00 0.24 -0.04 -0.51 -1.08 0.00 0.00 179.45 178.06 1x2l s LEU 65 N -5.95 4.04 0.00 2.94 1.43 -0.67 -5.03 118.68 115.44 1x2l s LEU 65 Ca 0.01 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 1x2l s LEU 65 Cb 0.08 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1x2l s LEU 65 CO 0.77 -0.20 0.13 0.35 0.23 0.00 0.00 176.35 177.62 1x2l n THR 66 N -0.67 0.00 -0.07 5.49 -2.24 -1.26 -4.80 114.28 110.73 1x2l n THR 66 Ca 0.01 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 1x2l n THR 66 Cb 0.53 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 68.04 1x2l n THR 66 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x2l h VAL 67 N 0.28 0.05 0.00 2.28 2.07 -1.99 0.33 116.25 119.27 1x2l h VAL 67 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1x2l h VAL 67 Cb 0.27 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1x2l h VAL 67 CO 0.10 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.98 1x2l n LYS 68 N -5.42 0.40 0.01 1.57 4.01 -1.26 -0.84 118.16 116.64 1x2l n LYS 68 Ca -0.04 0.06 -0.22 0.00 -0.51 0.00 0.00 58.31 57.61 1x2l n LYS 68 Cb 0.36 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.24 1x2l n LYS 68 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1x2l h GLY 69 N 2.92 0.29 1.91 0.72 0.00 -1.22 -3.41 103.07 104.29 1x2l h GLY 69 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.47 1x2l h GLY 69 CO 0.00 0.66 -0.58 0.50 0.00 0.00 0.00 176.54 177.12 1x2l h LYS 70 N -0.16 0.00 -0.40 4.80 1.57 0.66 -3.39 116.57 119.65 1x2l h LYS 70 Ca -0.36 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1x2l h LYS 70 Cb 1.88 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 34.10 1x2l h LYS 70 CO 0.06 0.48 -0.41 1.49 -0.57 0.00 0.00 179.45 180.51 1x2l h GLU 71 N 0.00 -0.31 -0.47 3.15 4.81 -1.22 0.60 114.58 121.14 1x2l h GLU 71 Ca -0.02 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1x2l h GLU 71 Cb 1.40 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 1x2l h GLU 71 CO 0.06 -0.20 0.23 -1.00 -0.73 0.00 0.00 179.01 177.37 1x2l h PRO 72 N -0.32 0.68 -0.64 0.92 0.13 -1.87 -2.02 132.00 128.88 1x2l h PRO 72 Ca 0.14 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1x2l h PRO 72 Cb 0.58 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1x2l h PRO 72 CO -0.56 0.57 0.27 0.74 -0.23 0.00 0.00 178.00 178.79 1x2l h PHE 73 N 0.62 0.92 -0.06 1.56 0.04 -1.43 0.22 116.94 118.81 1x2l h PHE 73 Ca 0.16 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1x2l h PHE 73 Cb 0.11 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1x2l h PHE 73 CO -0.01 0.70 0.04 0.82 -0.60 0.00 0.00 178.31 179.26 1x2l h ILE 74 N 0.91 1.02 0.18 -0.55 2.04 -0.68 0.72 117.51 121.14 1x2l h ILE 74 Ca 0.22 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1x2l h ILE 74 Cb 0.15 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1x2l h ILE 74 CO -0.02 0.02 -0.18 0.11 0.00 0.00 0.00 178.15 178.07 1x2l h LYS 75 N 0.08 -0.38 -0.12 2.37 1.57 -0.72 -1.86 116.57 117.51 1x2l h LYS 75 Ca 0.02 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1x2l h LYS 75 Cb -0.01 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1x2l h LYS 75 CO -0.00 -0.26 -0.07 0.52 -0.57 0.00 0.00 179.45 179.07 1x2l h MET 76 N -0.40 -0.06 -0.87 3.15 2.86 -0.44 0.56 114.93 119.73 1x2l h MET 76 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1x2l h MET 76 Cb 0.38 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1x2l h MET 76 CO -0.05 -0.04 0.47 -0.22 1.06 0.00 0.00 176.91 178.13 1x2l h LYS 77 N -0.06 1.22 -0.07 1.72 3.64 -0.75 -0.45 116.57 121.81 1x2l h LYS 77 Ca 0.07 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1x2l h LYS 77 Cb 0.16 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1x2l h LYS 77 CO -0.16 0.90 -0.51 1.96 -2.27 0.00 0.00 179.45 179.37 1x2l h GLN 78 N 1.22 0.19 -0.64 1.90 4.20 -0.93 -1.67 115.11 119.38 1x2l h GLN 78 Ca 0.31 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1x2l h GLN 78 Cb 0.04 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1x2l h GLN 78 CO -0.05 0.66 0.38 0.35 -0.67 0.00 0.00 178.83 179.51 1x2l h PHE 79 N 0.15 0.85 0.00 2.96 3.04 -0.32 -1.52 116.94 122.10 1x2l h PHE 79 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1x2l h PHE 79 Cb 0.96 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1x2l h PHE 79 CO 0.01 0.58 0.00 1.28 -2.02 0.00 0.00 178.31 178.17 1x2l n LEU 80 N -4.58 0.00 -0.35 0.59 4.77 -0.23 -2.60 117.00 114.60 1x2l n LEU 80 Ca 0.05 0.49 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 1x2l n LEU 80 Cb 0.06 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.14 1x2l n LEU 80 CO 0.36 -0.20 0.79 -1.20 -1.33 0.00 0.00 177.39 175.81 1x2l n SER 81 N -1.49 1.19 -3.68 -1.43 7.64 -0.58 -4.72 113.62 110.56 1x2l n SER 81 Ca 0.04 -1.18 -0.11 0.00 1.01 0.00 0.00 58.87 58.64 1x2l n SER 81 Cb 0.20 0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.23 -0.13 0.54 6.43 -1.08 -1.07 -5.03 116.67 114.10 1x2l s ASP 82 Ca 0.32 0.79 0.36 0.00 -0.52 0.00 0.00 52.55 53.51 1x2l s ASP 82 Cb 0.20 0.91 1.80 0.00 -1.46 0.00 0.00 42.92 44.37 1x2l s ASP 82 CO 0.42 -0.22 2.09 -0.08 0.52 0.00 0.00 175.17 177.91 1x2l h GLU 83 N 7.86 0.00 0.00 4.34 4.81 -1.84 -1.15 114.58 128.59 1x2l h GLU 83 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1x2l h GLU 83 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x2l h GLU 83 CO 0.19 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.51 1x2l n GLN 84 N -2.88 0.05 0.13 1.92 6.02 -1.26 -1.18 117.38 120.17 1x2l n GLN 84 Ca -0.01 0.33 -0.10 0.00 -0.01 0.00 0.00 57.00 57.21 1x2l n GLN 84 Cb 0.15 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 1x2l n GLN 84 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1x2l h ASN 85 N 0.00 -0.34 -0.22 1.08 2.35 -1.45 -3.09 115.58 113.91 1x2l h ASN 85 Ca 0.00 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1x2l h ASN 85 Cb 0.23 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1x2l h ASN 85 CO 0.00 0.14 0.02 1.62 -1.65 0.00 0.00 177.43 177.56 1x2l h VAL 86 N -0.99 1.18 0.00 2.81 3.04 -1.58 -1.95 116.25 118.76 1x2l h VAL 86 Ca -0.04 -0.69 -0.03 0.00 -1.01 0.00 0.00 66.70 64.92 1x2l h VAL 86 Cb 0.48 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1x2l h VAL 86 CO 0.07 0.24 -0.15 -0.07 -1.01 0.00 0.00 177.57 176.64 1x2l h LEU 87 N 0.47 0.00 -0.10 3.16 3.38 -1.26 -0.66 115.31 120.30 1x2l h LEU 87 Ca 0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1x2l h LEU 87 Cb 0.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1x2l h LEU 87 CO 0.01 0.15 -0.96 0.00 0.09 0.00 0.00 178.44 177.73 1x2l h ALA 88 N 1.85 0.25 -0.17 1.53 0.00 -1.28 -3.33 119.26 118.12 1x2l h ALA 88 Ca -0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 1x2l h ALA 88 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1x2l h ALA 88 CO 0.02 0.73 -0.29 -0.07 0.00 0.00 0.00 179.25 179.64 1x2l h LEU 89 N 0.37 0.33 -0.41 0.00 -0.00 -0.79 -2.83 115.31 111.98 1x2l h LEU 89 Ca -0.10 -0.11 0.08 0.00 -0.00 0.00 0.00 57.88 57.76 1x2l h LEU 89 Cb 1.60 -0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 42.09 1x2l h LEU 89 CO 0.18 0.61 -0.14 0.03 -0.00 0.00 0.00 178.44 179.13 1x2l h ARG 90 N 0.29 -0.04 -0.42 1.13 3.08 -1.46 -0.56 114.38 116.39 1x2l h ARG 90 Ca 0.04 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.18 1x2l h ARG 90 Cb 0.66 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.64 1x2l h ARG 90 CO 0.05 -0.03 -0.11 1.15 -1.07 0.00 0.00 179.97 179.96 1x2l h THR 91 N -0.04 0.56 -0.60 2.04 2.02 -1.65 -1.10 112.91 114.13 1x2l h THR 91 Ca 0.20 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1x2l h THR 91 Cb 0.35 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1x2l h THR 91 CO -0.45 0.00 0.22 0.40 0.37 0.00 0.00 175.52 176.06 1x2l h ILE 92 N -0.01 1.22 0.19 3.11 2.04 -1.32 -2.67 117.51 120.07 1x2l h ILE 92 Ca 0.20 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1x2l h ILE 92 Cb 0.32 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1x2l h ILE 92 CO -0.44 0.28 -0.09 -0.61 0.00 0.00 0.00 178.15 177.29 1x2l h GLN 93 N 0.87 -0.24 0.00 2.37 5.75 0.16 -2.12 115.11 121.90 1x2l h GLN 93 Ca 0.20 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1x2l h GLN 93 Cb 0.20 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 1x2l h GLN 93 CO -0.01 -0.08 -0.13 -0.24 -2.65 0.00 0.00 178.83 175.71 1x2l h VAL 94 N -0.36 0.81 0.00 2.39 3.04 -1.40 -1.32 116.25 119.41 1x2l h VAL 94 Ca -0.03 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1x2l h VAL 94 Cb 0.28 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1x2l h VAL 94 CO 0.04 0.13 0.00 0.54 -1.01 0.00 0.00 177.57 177.27 1x2l n ARG 95 N -3.96 0.53 0.17 4.17 1.74 -0.85 -4.16 116.66 114.30 1x2l n ARG 95 Ca -0.02 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 1x2l n ARG 95 Cb 0.22 -1.50 0.70 0.00 -1.02 0.00 0.00 32.46 30.86 1x2l n ARG 95 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1x2l h SER 96 N 0.00 0.00 0.00 0.55 4.64 -0.72 -3.47 113.55 114.54 1x2l h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x2l h SER 96 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1x2l h SER 96 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1x2l n GLY 97 N -1.55 -1.64 3.71 -0.77 0.00 -1.26 -5.14 105.19 98.54 1x2l n GLY 97 Ca 0.02 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1x2l n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2l s PRO 98 N -1.58 1.44 0.47 1.61 0.04 -1.26 -4.79 135.00 130.93 1x2l s PRO 98 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1x2l s PRO 98 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1x2l s PRO 98 CO 0.00 -2.27 0.00 0.43 0.04 0.00 0.00 177.00 175.20 1x2l n SER 99 N -3.97 -5.77 -2.64 6.66 7.64 -1.26 -5.03 113.62 109.25 1x2l n SER 99 Ca 0.10 0.90 -0.10 0.00 1.01 0.00 0.00 58.87 60.78 1x2l n SER 99 Cb 0.53 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.09 1x2l n SER 99 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x2l n SER 100 N -4.15 -1.62 0.00 6.43 3.41 -1.26 -5.02 113.62 111.41 1x2l n SER 100 Ca 0.01 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1x2l n SER 100 Cb 0.38 2.82 0.00 0.00 -0.26 0.00 0.00 64.21 67.15 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49