#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 -7.60 -3.59 1.61 7.64 -1.26 -5.11 113.62 105.31 1x2l n SER 2 Ca 0.00 0.88 -0.00 0.00 1.01 0.00 0.00 58.87 60.76 1x2l n SER 2 Cb 0.00 -4.08 0.01 0.00 -1.01 0.00 0.00 64.21 59.14 1x2l n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x2l s SER 3 N -6.94 -0.00 0.00 6.43 0.15 -1.26 -5.20 113.70 106.88 1x2l s SER 3 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1x2l s SER 3 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x2l s SER 3 CO 0.00 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1x2l n GLY 4 N -0.77 2.63 3.33 9.45 0.00 -1.26 -5.16 105.19 113.41 1x2l n GLY 4 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1x2l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2l s SER 5 N 0.00 -0.66 0.17 1.61 0.01 -1.26 -5.19 113.70 108.38 1x2l s SER 5 Ca 0.00 0.72 -0.23 0.00 1.31 0.00 0.00 55.95 57.75 1x2l s SER 5 Cb 0.00 1.68 0.07 0.00 0.21 0.00 0.00 66.02 67.97 1x2l s SER 5 CO 0.00 -0.13 0.62 -0.44 0.41 0.00 0.00 173.24 173.71 1x2l s SER 6 N 2.63 -0.53 0.00 2.44 0.01 -1.26 -5.13 113.70 111.87 1x2l s SER 6 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1x2l s SER 6 Cb -0.08 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1x2l s SER 6 CO -0.16 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.09 1x2l n GLY 7 N -0.39 0.82 3.15 3.44 0.00 -1.26 -5.16 105.19 105.79 1x2l n GLY 7 Ca -0.15 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 1.00 -0.43 4.61 0.00 -1.26 -5.10 121.76 120.58 1x2l s ALA 8 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1x2l s ALA 8 Cb 0.00 -0.02 0.24 0.00 0.00 0.00 0.00 23.12 23.35 1x2l s ALA 8 CO 0.00 0.05 1.01 0.41 0.00 0.00 0.00 175.76 177.23 1x2l n GLY 9 N 1.08 -0.76 3.63 0.00 0.00 -1.26 -5.16 105.19 102.71 1x2l n GLY 9 Ca -0.20 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 0.53 0.10 0.51 1.61 0.04 -1.26 -4.99 135.00 131.54 1x2l s PRO 10 Ca 0.29 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1x2l s PRO 10 Cb 0.19 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.97 1x2l s PRO 10 CO -0.16 -2.99 1.18 0.41 0.04 0.00 0.00 177.00 175.47 1x2l n GLY 11 N -0.52 0.27 3.43 0.56 0.00 -1.26 -4.85 105.19 102.82 1x2l n GLY 11 Ca 0.05 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1x2l n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l n ALA 12 N -0.90 3.47 0.00 4.61 0.00 -1.26 -4.89 120.51 121.54 1x2l n ALA 12 Ca 0.10 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1x2l n ALA 12 Cb 0.43 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.31 1x2l n ALA 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x2l n GLU 13 N 7.97 0.00 -3.89 0.00 0.28 -1.26 -4.44 120.64 119.30 1x2l n GLU 13 Ca 0.49 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.20 1x2l n GLU 13 Cb 0.45 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.16 1x2l n GLU 13 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1x2l s GLU 14 N 0.00 1.44 0.00 3.44 2.12 -1.26 -5.13 118.70 119.30 1x2l s GLU 14 Ca 0.00 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1x2l s GLU 14 Cb 0.00 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1x2l s GLU 14 CO 0.00 -0.47 0.00 -0.85 -0.54 0.00 0.00 175.26 173.40 1x2l n GLU 15 N 4.85 2.47 -3.90 4.30 0.28 -1.26 -5.07 120.64 122.31 1x2l n GLU 15 Ca -0.12 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.56 1x2l n GLU 15 Cb 0.47 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.21 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 1.96 1.99 0.51 3.44 -0.21 -1.26 -5.11 119.66 120.98 1x2l s GLN 16 Ca 0.00 -2.34 -0.19 0.00 0.02 0.00 0.00 55.36 52.85 1x2l s GLN 16 Cb 0.00 -3.41 -0.08 0.00 1.00 0.00 0.00 33.01 30.52 1x2l s GLN 16 CO 0.00 -1.08 1.03 -0.51 -2.12 0.00 0.00 175.29 172.61 1x2l s LEU 17 N 0.19 3.76 -0.89 2.90 1.43 -1.26 -4.97 118.68 119.85 1x2l s LEU 17 Ca 0.15 1.86 -0.25 0.00 -1.03 0.00 0.00 54.13 54.86 1x2l s LEU 17 Cb -0.23 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.47 1x2l s LEU 17 CO -0.03 -0.82 1.46 -1.81 0.23 0.00 0.00 176.35 175.38 1x2l s ASP 18 N -2.24 6.19 0.25 2.29 1.11 -1.26 -4.48 116.67 118.54 1x2l s ASP 18 Ca 0.66 -0.94 -0.04 0.00 0.18 0.00 0.00 52.55 52.40 1x2l s ASP 18 Cb -0.15 -2.56 0.34 0.00 1.07 0.00 0.00 42.92 41.61 1x2l s ASP 18 CO 0.24 -1.78 1.89 0.71 1.18 0.00 0.00 175.17 177.41 1x2l h THR 19 N 6.59 1.13 -0.42 -1.27 1.35 -1.93 -0.86 112.91 117.49 1x2l h THR 19 Ca 0.00 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 1x2l h THR 19 Cb 1.03 -0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 1x2l h THR 19 CO 1.35 0.22 0.17 0.00 -0.25 0.00 0.00 175.52 177.00 1x2l h ALA 20 N 1.41 1.50 0.23 6.62 0.00 -1.85 0.44 119.26 127.62 1x2l h ALA 20 Ca 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1x2l h ALA 20 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x2l h ALA 20 CO -0.14 0.39 -0.11 1.49 0.00 0.00 0.00 179.25 180.87 1x2l h GLU 21 N 0.60 -0.29 -0.65 0.00 4.81 -1.78 -1.42 114.58 115.85 1x2l h GLU 21 Ca 0.15 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1x2l h GLU 21 Cb 0.12 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1x2l h GLU 21 CO -0.01 0.07 0.34 0.82 -0.73 0.00 0.00 179.01 179.50 1x2l h ILE 22 N -0.90 0.93 -0.25 2.32 2.04 -0.97 0.30 117.51 120.98 1x2l h ILE 22 Ca -0.03 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1x2l h ILE 22 Cb 0.50 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1x2l h ILE 22 CO 0.05 0.11 0.06 0.00 0.00 0.00 0.00 178.15 178.38 1x2l h ALA 23 N 1.36 0.26 0.33 1.87 0.00 -0.96 -0.11 119.26 122.01 1x2l h ALA 23 Ca 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1x2l h ALA 23 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1x2l h ALA 23 CO -0.20 -0.35 -0.26 0.35 0.00 0.00 0.00 179.25 178.79 1x2l h PHE 24 N 0.17 -0.70 -0.80 0.00 3.57 0.03 -2.51 116.94 116.70 1x2l h PHE 24 Ca 0.11 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.75 1x2l h PHE 24 Cb 0.10 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1x2l h PHE 24 CO -0.14 -0.36 0.53 1.96 -2.23 0.00 0.00 178.31 178.07 1x2l h GLN 25 N -0.56 0.55 0.29 1.11 4.20 -0.42 0.10 115.11 120.37 1x2l h GLN 25 Ca -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1x2l h GLN 25 Cb 0.47 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1x2l h GLN 25 CO 0.01 0.36 -0.14 0.28 -0.67 0.00 0.00 178.83 178.67 1x2l h VAL 26 N 0.56 0.74 -0.85 -0.54 2.07 -1.02 -0.80 116.25 116.41 1x2l h VAL 26 Ca 0.39 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 67.89 1x2l h VAL 26 Cb 0.73 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 1x2l h VAL 26 CO -0.15 0.04 0.44 0.11 0.02 0.00 0.00 177.57 178.03 1x2l h LYS 27 N -0.48 0.62 0.78 1.57 1.57 -0.38 -0.27 116.57 119.98 1x2l h LYS 27 Ca -0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1x2l h LYS 27 Cb 0.36 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x2l h LYS 27 CO 0.07 0.41 -0.40 0.93 -0.57 0.00 0.00 179.45 179.88 1x2l h GLU 28 N 0.64 -1.04 -0.37 3.15 4.39 -1.07 -1.76 114.58 118.52 1x2l h GLU 28 Ca 0.46 0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.21 1x2l h GLU 28 Cb 0.64 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1x2l h GLU 28 CO -0.36 -0.69 0.13 1.96 -1.16 0.00 0.00 179.01 178.89 1x2l h GLN 29 N -1.08 0.52 0.03 2.33 1.08 -0.53 0.27 115.11 117.73 1x2l h GLN 29 Ca -0.10 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1x2l h GLN 29 Cb 0.84 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1x2l h GLN 29 CO 0.16 0.45 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.40 1x2l h LEU 30 N 0.52 -0.04 -0.82 1.46 3.38 -1.04 -2.84 115.31 115.93 1x2l h LEU 30 Ca 0.13 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1x2l h LEU 30 Cb 0.14 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1x2l h LEU 30 CO -0.01 0.06 0.47 0.25 0.09 0.00 0.00 178.44 179.30 1x2l h LEU 31 N -0.13 0.69 -1.99 1.67 6.46 -0.32 0.31 115.31 122.01 1x2l h LEU 31 Ca -0.00 0.04 0.16 0.00 -0.12 0.00 0.00 57.88 57.96 1x2l h LEU 31 Cb 0.11 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1x2l h LEU 31 CO 0.01 0.41 0.41 0.50 -0.62 0.00 0.00 178.44 179.14 1x2l h LYS 32 N 0.81 0.01 0.00 1.25 3.64 -0.28 -1.14 116.57 120.86 1x2l h LYS 32 Ca 0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1x2l h LYS 32 Cb 0.32 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1x2l h LYS 32 CO -0.23 0.01 -0.09 0.72 -2.27 0.00 0.00 179.45 177.59 1x2l n HIS 33 N -4.37 0.00 -4.25 1.91 8.25 -1.03 -5.02 115.22 110.70 1x2l n HIS 33 Ca 0.11 -0.47 -0.35 0.00 -0.26 0.00 0.00 57.72 56.74 1x2l n HIS 33 Cb 0.63 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.61 -1.87 -4.81 0.41 5.03 0.32 -4.96 115.26 108.77 1x2l n ASN 34 Ca 0.05 -1.09 -0.35 0.00 0.87 0.00 0.00 54.58 54.06 1x2l n ASN 34 Cb 0.50 -2.42 -0.06 0.00 -1.02 0.00 0.00 39.78 36.77 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x2l s ILE 35 N -3.56 4.42 0.02 2.41 1.01 0.81 -4.96 121.20 121.36 1x2l s ILE 35 Ca 0.52 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 62.33 1x2l s ILE 35 Cb -0.29 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1x2l s ILE 35 CO 0.95 -0.05 0.97 -0.83 0.00 0.00 0.00 174.94 175.98 1x2l s GLY 36 N -1.92 2.93 0.35 6.18 0.00 -1.26 -4.67 107.32 108.92 1x2l s GLY 36 Ca 0.53 0.54 0.06 0.00 0.00 0.00 0.00 44.72 45.85 1x2l s GLY 36 CO 0.19 1.63 1.93 -1.61 0.00 0.00 0.00 173.10 175.23 1x2l h GLN 37 N 6.54 0.77 -0.26 2.90 4.15 -1.98 -2.20 115.11 125.03 1x2l h GLN 37 Ca -0.41 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.01 1x2l h GLN 37 Cb 1.22 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 1x2l h GLN 37 CO 0.74 0.51 -0.07 -0.09 -1.93 0.00 0.00 178.83 177.99 1x2l h ARG 38 N 0.80 -0.01 -0.08 1.69 2.43 -1.93 -0.04 114.38 117.23 1x2l h ARG 38 Ca 0.36 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 1x2l h ARG 38 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1x2l h ARG 38 CO -0.14 -0.01 0.03 0.28 -1.51 0.00 0.00 179.97 178.63 1x2l h VAL 39 N -0.01 0.99 -0.35 0.20 2.07 -1.81 0.19 116.25 117.53 1x2l h VAL 39 Ca 0.13 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1x2l h VAL 39 Cb 0.21 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1x2l h VAL 39 CO -0.27 0.01 -0.02 0.15 0.02 0.00 0.00 177.57 177.46 1x2l h PHE 40 N 0.08 -0.05 0.00 1.57 3.57 -1.25 -1.07 116.94 119.78 1x2l h PHE 40 Ca 0.03 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 1x2l h PHE 40 Cb 0.01 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1x2l h PHE 40 CO -0.09 -0.08 -0.55 0.78 -2.23 0.00 0.00 178.31 176.13 1x2l h GLY 41 N 0.08 0.00 1.99 2.40 0.00 -0.73 -0.89 103.07 105.92 1x2l h GLY 41 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 1x2l h GLY 41 CO -0.30 0.00 -0.93 0.84 0.00 0.00 0.00 176.54 176.15 1x2l h HIS 42 N 0.00 0.01 0.00 5.60 -0.00 0.05 0.58 115.15 121.39 1x2l h HIS 42 Ca -0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1x2l h HIS 42 Cb 1.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.44 1x2l h HIS 42 CO 0.00 0.93 -1.00 0.66 -0.00 0.00 0.00 177.93 178.52 1x2l n TYR 43 N -3.44 0.00 0.10 5.26 4.02 -0.47 -3.92 117.16 118.72 1x2l n TYR 43 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1x2l n TYR 43 Cb 0.88 -0.45 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.78 0.87 0.10 -0.72 2.07 -1.33 -3.34 116.25 113.12 1x2l h VAL 44 Ca -0.09 -0.78 -0.34 0.00 0.82 0.00 0.00 66.70 66.32 1x2l h VAL 44 Cb 0.89 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1x2l h VAL 44 CO -0.05 0.17 -1.87 -0.07 0.02 0.00 0.00 177.57 175.76 1x2l h LEU 45 N -0.69 0.32 -0.15 2.57 3.38 -1.55 -3.49 115.31 115.70 1x2l h LEU 45 Ca -0.03 -0.68 -0.16 0.00 0.09 0.00 0.00 57.88 57.10 1x2l h LEU 45 Cb 0.48 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.16 1x2l h LEU 45 CO 0.05 1.60 -0.25 0.61 0.09 0.00 0.00 178.44 180.54 1x2l n GLY 46 N 1.85 0.24 3.49 0.83 0.00 0.18 -4.87 105.19 106.91 1x2l n GLY 46 Ca -0.26 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.07 2.64 0.46 0.99 1.43 0.13 -4.96 118.68 116.30 1x2l s LEU 47 Ca 0.14 -1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 51.86 1x2l s LEU 47 Cb -0.06 -0.93 -0.09 0.00 0.03 0.00 0.00 46.19 45.13 1x2l s LEU 47 CO 0.18 -0.17 1.09 -0.24 0.23 0.00 0.00 176.35 177.44 1x2l n SER 48 N -0.69 1.61 0.23 2.29 2.88 -1.26 -3.90 113.62 114.79 1x2l n SER 48 Ca -0.05 1.02 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 1x2l n SER 48 Cb 0.62 -1.41 0.80 0.00 -0.75 0.00 0.00 64.21 63.47 1x2l n SER 48 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1x2l h GLN 49 N 1.52 0.00 -0.01 -1.46 3.07 -1.91 -0.70 115.11 115.62 1x2l h GLN 49 Ca -0.46 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.05 1x2l h GLN 49 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1x2l h GLN 49 CO 0.57 0.00 -0.93 0.78 0.09 0.00 0.00 178.83 179.34 1x2l h GLY 50 N 0.00 0.51 0.63 0.06 0.00 -1.99 -2.85 103.07 99.42 1x2l h GLY 50 Ca 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 1x2l h GLY 50 CO -0.00 0.76 -0.29 1.76 0.00 0.00 0.00 176.54 178.77 1x2l h SER 51 N 0.26 -0.69 -0.58 0.19 0.02 -1.53 -2.92 113.55 108.31 1x2l h SER 51 Ca -0.08 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1x2l h SER 51 Cb 1.56 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.24 1x2l h SER 51 CO 0.16 -0.30 0.39 -0.37 -1.14 0.00 0.00 176.83 175.57 1x2l h VAL 52 N -1.19 1.06 -0.79 2.27 -1.51 -1.36 -1.36 116.25 113.38 1x2l h VAL 52 Ca -0.08 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 1x2l h VAL 52 Cb 0.64 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1x2l h VAL 52 CO 0.14 0.12 0.40 0.77 -1.23 0.00 0.00 177.57 177.77 1x2l h SER 53 N 0.66 1.00 -0.93 4.19 4.64 -1.57 0.13 113.55 121.67 1x2l h SER 53 Ca 0.24 -0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.57 1x2l h SER 53 Cb 0.11 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 61.87 1x2l h SER 53 CO -0.06 0.82 0.60 -0.08 -0.87 0.00 0.00 176.83 177.24 1x2l h GLU 54 N 1.11 0.87 -0.13 4.77 4.81 -1.05 0.22 114.58 125.19 1x2l h GLU 54 Ca 0.27 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1x2l h GLU 54 Cb 0.07 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1x2l h GLU 54 CO -0.04 0.58 -0.07 0.82 -0.73 0.00 0.00 179.01 179.57 1x2l h ILE 55 N 0.90 1.32 -0.01 2.32 2.04 -0.74 0.85 117.51 124.20 1x2l h ILE 55 Ca 0.45 -1.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.04 1x2l h ILE 55 Cb 0.48 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1x2l h ILE 55 CO -0.21 0.32 -0.68 -0.07 0.00 0.00 0.00 178.15 177.52 1x2l h LEU 56 N -0.07 0.03 0.41 1.44 3.38 -1.01 -2.23 115.31 117.26 1x2l h LEU 56 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1x2l h LEU 56 Cb 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1x2l h LEU 56 CO 0.02 0.70 -0.20 0.00 0.09 0.00 0.00 178.44 179.05 1x2l h ALA 57 N 1.30 -0.55 -2.37 1.53 0.00 -0.91 -3.42 119.26 114.84 1x2l h ALA 57 Ca -0.01 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 1x2l h ALA 57 Cb 1.20 0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.80 1x2l h ALA 57 CO 0.09 -0.58 -0.82 0.54 0.00 0.00 0.00 179.25 178.48 1x2l n ARG 58 N -5.17 1.33 -1.99 0.00 5.12 0.29 -5.04 116.66 111.21 1x2l n ARG 58 Ca -0.09 -3.88 -0.35 0.00 -1.93 0.00 0.00 57.85 51.60 1x2l n ARG 58 Cb 0.28 -1.83 -0.04 0.00 -1.16 0.00 0.00 32.46 29.71 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 -1.32 2.53 0.85 5.56 0.04 -0.84 -4.64 135.00 137.18 1x2l s PRO 59 Ca 0.34 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 1x2l s PRO 59 Cb 0.09 -4.59 0.11 0.00 0.04 0.00 0.00 34.50 30.15 1x2l s PRO 59 CO -0.12 -3.00 1.13 0.15 0.04 0.00 0.00 177.00 175.21 1x2l s LYS 60 N 7.20 1.51 0.54 4.56 1.02 -1.26 -4.54 119.74 128.76 1x2l s LYS 60 Ca 0.71 1.44 -0.20 0.00 0.02 0.00 0.00 55.97 57.95 1x2l s LYS 60 Cb -0.11 -1.79 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 1x2l s LYS 60 CO 0.15 -2.25 1.12 -1.25 -0.92 0.00 0.00 175.35 172.21 1x2l s PRO 61 N -4.67 3.40 0.27 -1.68 0.04 -1.26 -4.73 135.00 126.37 1x2l s PRO 61 Ca 0.65 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1x2l s PRO 61 Cb -0.21 -2.01 0.58 0.00 0.04 0.00 0.00 34.50 32.89 1x2l s PRO 61 CO 0.56 -0.80 1.76 2.35 0.04 0.00 0.00 177.00 180.91 1x2l h TRP 62 N 1.23 0.81 0.00 0.56 2.91 -1.94 0.81 115.95 120.32 1x2l h TRP 62 Ca -0.50 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.56 1x2l h TRP 62 Cb 1.26 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.68 1x2l h TRP 62 CO 0.52 0.17 0.00 2.89 -1.03 0.00 0.00 178.44 180.99 1x2l n ARG 63 N -4.87 0.16 0.10 2.65 0.00 -1.26 -1.16 116.66 112.27 1x2l n ARG 63 Ca 0.18 0.56 0.12 0.00 -0.00 0.00 0.00 57.85 58.72 1x2l n ARG 63 Cb 0.47 -1.92 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 0.87 0.00 0.00 0.00 177.63 178.50 1x2l h LYS 64 N 0.00 0.00 -6.26 2.89 1.79 -1.18 -3.48 116.57 110.33 1x2l h LYS 64 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 1x2l h LYS 64 Cb 0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1x2l h LYS 64 CO 0.00 0.00 -0.23 -0.51 -1.08 0.00 0.00 179.45 177.63 1x2l s LEU 65 N -4.82 4.24 0.64 2.94 1.43 -0.31 -5.03 118.68 117.77 1x2l s LEU 65 Ca 0.05 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1x2l s LEU 65 Cb 0.11 -3.40 0.11 0.00 0.03 0.00 0.00 46.19 43.04 1x2l s LEU 65 CO 0.72 0.02 0.88 0.28 0.23 0.00 0.00 176.35 178.48 1x2l s THR 66 N -1.68 2.01 0.19 5.49 -1.32 -1.26 -4.85 115.64 114.21 1x2l s THR 66 Ca 0.42 -0.90 -0.17 0.00 -1.21 0.00 0.00 61.69 59.83 1x2l s THR 66 Cb -0.12 -2.11 0.15 0.00 -1.51 0.00 0.00 72.50 68.91 1x2l s THR 66 CO 0.23 0.00 1.63 0.58 -2.21 0.00 0.00 174.62 174.85 1x2l h VAL 67 N -0.08 0.40 -0.48 5.08 2.07 -1.99 0.10 116.25 121.36 1x2l h VAL 67 Ca -0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1x2l h VAL 67 Cb 1.28 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1x2l h VAL 67 CO 0.39 0.00 0.32 0.11 0.02 0.00 0.00 177.57 178.41 1x2l h LYS 68 N -0.07 0.58 -0.33 1.57 1.79 -2.00 0.78 116.57 118.90 1x2l h LYS 68 Ca 0.24 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.60 1x2l h LYS 68 Cb 0.43 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1x2l h LYS 68 CO -0.55 0.39 -0.12 0.78 -1.08 0.00 0.00 179.45 178.87 1x2l h GLY 69 N 0.60 0.62 1.96 3.86 0.00 -1.25 -3.16 103.07 105.70 1x2l h GLY 69 Ca 0.18 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 1x2l h GLY 69 CO -0.04 0.40 -0.82 0.50 0.00 0.00 0.00 176.54 176.58 1x2l h LYS 70 N 0.53 0.00 -0.86 4.80 1.57 0.62 -3.40 116.57 119.83 1x2l h LYS 70 Ca 0.10 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 1x2l h LYS 70 Cb 0.51 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.67 1x2l h LYS 70 CO 0.03 0.78 -0.32 1.49 -0.57 0.00 0.00 179.45 180.86 1x2l h GLU 71 N 0.00 -0.04 0.43 3.15 4.81 -0.88 -0.57 114.58 121.48 1x2l h GLU 71 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1x2l h GLU 71 Cb 1.62 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.01 1x2l h GLU 71 CO 0.10 -0.03 -0.21 -1.00 -0.73 0.00 0.00 179.01 177.15 1x2l h PRO 72 N -0.04 -0.56 -0.36 0.92 0.13 -1.77 -3.17 132.00 127.15 1x2l h PRO 72 Ca 0.35 0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.57 1x2l h PRO 72 Cb 0.61 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1x2l h PRO 72 CO -0.89 -0.26 0.25 0.74 -0.23 0.00 0.00 178.00 177.61 1x2l h PHE 73 N -0.88 0.25 0.45 1.56 0.04 -1.49 0.89 116.94 117.76 1x2l h PHE 73 Ca -0.06 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1x2l h PHE 73 Cb 0.56 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1x2l h PHE 73 CO 0.01 0.14 -0.46 0.82 -0.60 0.00 0.00 178.31 178.22 1x2l h ILE 74 N 0.25 0.09 -0.39 -0.55 2.04 -1.20 0.11 117.51 117.87 1x2l h ILE 74 Ca 0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 1x2l h ILE 74 Cb 0.31 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 1x2l h ILE 74 CO -0.03 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.23 1x2l h LYS 75 N -0.92 0.11 -0.08 2.37 1.57 -1.11 -2.21 116.57 116.29 1x2l h LYS 75 Ca -0.05 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1x2l h LYS 75 Cb 0.81 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1x2l h LYS 75 CO -0.07 0.07 -0.63 0.52 -0.57 0.00 0.00 179.45 178.77 1x2l h MET 76 N 0.11 0.31 -0.74 3.15 2.86 -0.55 0.36 114.93 120.43 1x2l h MET 76 Ca 0.19 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1x2l h MET 76 Cb 0.27 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1x2l h MET 76 CO -0.31 0.84 0.37 -0.22 1.06 0.00 0.00 176.91 178.65 1x2l h LYS 77 N 0.23 1.06 -0.29 1.72 3.64 -0.85 -1.02 116.57 121.06 1x2l h LYS 77 Ca -0.01 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1x2l h LYS 77 Cb 1.16 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1x2l h LYS 77 CO 0.10 0.82 -0.20 1.96 -2.27 0.00 0.00 179.45 179.87 1x2l h GLN 78 N 1.04 0.54 0.63 1.90 1.08 -0.60 -2.38 115.11 117.32 1x2l h GLN 78 Ca 0.26 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1x2l h GLN 78 Cb 0.10 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1x2l h GLN 78 CO -0.03 0.71 -0.37 0.35 -0.95 0.00 0.00 178.83 178.54 1x2l h PHE 79 N 0.48 -0.97 0.00 2.96 3.57 -0.05 -2.52 116.94 120.41 1x2l h PHE 79 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1x2l h PHE 79 Cb 0.61 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1x2l h PHE 79 CO 0.02 -0.56 0.00 1.28 -2.23 0.00 0.00 178.31 176.82 1x2l n LEU 80 N -5.51 0.00 -0.03 0.59 4.77 -0.41 -1.38 117.00 115.03 1x2l n LEU 80 Ca -0.13 0.24 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1x2l n LEU 80 Cb 0.40 -0.24 0.59 0.00 -2.33 0.00 0.00 43.42 41.84 1x2l n LEU 80 CO 0.35 -0.17 0.88 -1.20 -1.33 0.00 0.00 177.39 175.92 1x2l n SER 81 N -1.24 0.20 -3.70 -1.43 7.64 -0.90 -4.85 113.62 109.33 1x2l n SER 81 Ca 0.05 -0.04 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1x2l n SER 81 Cb 0.07 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.94 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 -2.76 -0.51 0.36 6.43 -1.08 -0.48 -5.04 116.67 113.59 1x2l s ASP 82 Ca 0.21 0.92 0.03 0.00 -0.52 0.00 0.00 52.55 53.19 1x2l s ASP 82 Cb 0.19 0.86 0.67 0.00 -1.46 0.00 0.00 42.92 43.18 1x2l s ASP 82 CO 0.53 -0.18 2.01 -0.08 0.52 0.00 0.00 175.17 177.96 1x2l h GLU 83 N 6.38 0.75 -0.13 4.34 4.57 -1.89 -2.69 114.58 125.91 1x2l h GLU 83 Ca -0.32 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 57.84 1x2l h GLU 83 Cb 1.18 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1x2l h GLU 83 CO 0.26 0.52 0.12 1.96 -1.18 0.00 0.00 179.01 180.69 1x2l h GLN 84 N 0.77 0.00 -0.59 1.92 1.08 -1.96 -0.77 115.11 115.56 1x2l h GLN 84 Ca 0.20 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1x2l h GLN 84 Cb -0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1x2l h GLN 84 CO -0.04 0.00 0.23 -0.91 -0.95 0.00 0.00 178.83 177.16 1x2l h ASN 85 N 0.00 0.82 0.50 1.46 2.35 -1.75 -0.49 115.58 118.48 1x2l h ASN 85 Ca 0.06 -0.17 -0.20 0.00 -0.55 0.00 0.00 56.30 55.44 1x2l h ASN 85 Cb 0.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1x2l h ASN 85 CO -0.00 0.77 -0.88 1.62 -1.65 0.00 0.00 177.43 177.29 1x2l h VAL 86 N 0.82 1.46 -0.52 2.81 3.04 -1.33 -3.09 116.25 119.45 1x2l h VAL 86 Ca 0.20 -2.54 -0.10 0.00 -1.01 0.00 0.00 66.70 63.25 1x2l h VAL 86 Cb 0.21 2.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 1x2l h VAL 86 CO -0.02 0.74 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.15 1x2l h LEU 87 N 0.15 0.93 -0.77 3.16 3.38 -0.96 -1.38 115.31 119.81 1x2l h LEU 87 Ca -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1x2l h LEU 87 Cb 1.50 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 1x2l h LEU 87 CO 0.14 1.02 0.41 0.00 0.09 0.00 0.00 178.44 180.10 1x2l h ALA 88 N 1.06 0.99 0.00 1.53 0.00 -1.17 -2.66 119.26 119.01 1x2l h ALA 88 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1x2l h ALA 88 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1x2l h ALA 88 CO 0.04 0.52 -0.20 -0.07 0.00 0.00 0.00 179.25 179.53 1x2l h LEU 89 N 1.07 0.00 -1.15 0.00 -0.00 -1.23 -1.71 115.31 112.30 1x2l h LEU 89 Ca 0.27 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.22 1x2l h LEU 89 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.66 1x2l h LEU 89 CO -0.04 0.20 0.59 0.03 -0.00 0.00 0.00 178.44 179.22 1x2l h ARG 90 N 0.00 0.97 -0.23 1.13 3.08 -0.91 -1.01 114.38 117.40 1x2l h ARG 90 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1x2l h ARG 90 Cb 0.43 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1x2l h ARG 90 CO 0.03 0.64 0.01 1.15 -1.07 0.00 0.00 179.97 180.73 1x2l h THR 91 N 1.00 1.25 -0.17 2.04 2.02 -1.39 -3.15 112.91 114.51 1x2l h THR 91 Ca 0.40 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1x2l h THR 91 Cb 0.25 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1x2l h THR 91 CO -0.16 0.26 -0.04 0.40 0.37 0.00 0.00 175.52 176.36 1x2l h ILE 92 N 0.19 1.13 -0.66 3.11 2.04 -1.27 -2.23 117.51 119.82 1x2l h ILE 92 Ca 0.07 -0.54 0.07 0.00 1.00 0.00 0.00 64.86 65.45 1x2l h ILE 92 Cb 0.38 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1x2l h ILE 92 CO 0.01 0.18 0.35 -0.61 0.00 0.00 0.00 178.15 178.07 1x2l h GLN 93 N 0.24 0.61 -0.11 2.37 -0.00 -1.17 -0.96 115.11 116.09 1x2l h GLN 93 Ca 0.06 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.58 1x2l h GLN 93 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1x2l h GLN 93 CO 0.01 0.40 -0.34 -0.39 0.00 0.00 0.00 178.83 178.51 1x2l h VAL 94 N 0.63 1.28 0.00 2.39 -1.51 -1.45 -2.24 116.25 115.35 1x2l h VAL 94 Ca 0.31 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1x2l h VAL 94 Cb 0.25 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1x2l h VAL 94 CO -0.21 0.40 0.00 0.54 -1.23 0.00 0.00 177.57 177.07 1x2l n ARG 95 N -4.09 0.57 0.31 5.19 5.12 -0.44 -3.88 116.66 119.45 1x2l n ARG 95 Ca -0.01 0.03 0.19 0.00 -1.93 0.00 0.00 57.85 56.13 1x2l n ARG 95 Cb 0.43 -1.50 1.04 0.00 -1.16 0.00 0.00 32.46 31.27 1x2l n ARG 95 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x2l h SER 96 N 0.00 0.00 -5.03 0.55 0.87 -0.71 -3.45 113.55 105.79 1x2l h SER 96 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1x2l h SER 96 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1x2l h SER 96 CO 0.00 0.01 0.27 -0.83 -0.53 0.00 0.00 176.83 175.76 1x2l s GLY 97 N -4.15 0.12 -0.47 5.77 0.00 -1.25 -5.06 107.32 102.28 1x2l s GLY 97 Ca -0.04 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.14 1x2l s GLY 97 CO 0.48 -0.11 3.00 -1.55 0.00 0.00 0.00 173.10 174.92 1x2l n PRO 98 N -0.50 2.58 -0.77 2.90 -0.04 -1.26 -4.96 135.00 132.95 1x2l n PRO 98 Ca -0.06 -2.05 0.07 0.00 -0.04 0.00 0.00 63.50 61.42 1x2l n PRO 98 Cb 0.59 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.83 1x2l n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x2l n SER 99 N 1.59 -4.18 -0.60 3.54 7.64 -1.26 -5.10 113.62 115.26 1x2l n SER 99 Ca 0.50 0.83 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1x2l n SER 99 Cb 0.61 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 1x2l n SER 99 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x2l n SER 100 N -2.93 -3.91 0.00 6.43 2.88 -1.26 -5.21 113.62 109.62 1x2l n SER 100 Ca -0.04 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1x2l n SER 100 Cb 0.33 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42