#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 -5.70 -3.88 1.61 7.64 -1.26 -5.02 113.62 107.02 1x2l n SER 2 Ca 0.00 0.52 -0.10 0.00 1.01 0.00 0.00 58.87 60.30 1x2l n SER 2 Cb 0.00 -2.98 -0.08 0.00 -1.01 0.00 0.00 64.21 60.14 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 -5.91 0.10 -0.30 6.43 0.15 -1.26 -5.16 113.70 107.75 1x2l s SER 3 Ca 0.00 -0.48 -0.16 0.00 0.70 0.00 0.00 55.95 56.01 1x2l s SER 3 Cb 0.00 0.28 0.18 0.00 -1.71 0.00 0.00 66.02 64.77 1x2l s SER 3 CO 0.00 -0.58 1.13 -0.83 1.20 0.00 0.00 173.24 174.16 1x2l s GLY 4 N -2.26 -0.05 -0.17 9.45 0.00 -1.26 -5.07 107.32 107.96 1x2l s GLY 4 Ca -0.03 3.21 -0.07 0.00 0.00 0.00 0.00 44.72 47.83 1x2l s GLY 4 CO -0.06 3.48 -0.21 -1.26 0.00 0.00 0.00 173.10 175.05 1x2l n SER 5 N 4.98 1.52 -1.20 1.64 2.88 -1.26 -5.14 113.62 117.04 1x2l n SER 5 Ca -0.08 0.16 0.10 0.00 -1.33 0.00 0.00 58.87 57.72 1x2l n SER 5 Cb 0.54 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1x2l n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x2l n SER 6 N -3.63 -7.17 0.00 -3.46 7.64 -1.26 -4.98 113.62 100.75 1x2l n SER 6 Ca -0.34 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1x2l n SER 6 Cb 0.76 -2.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 1x2l n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2l n GLY 7 N -2.21 1.26 2.93 0.23 0.00 -1.26 -4.93 105.19 101.21 1x2l n GLY 7 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1x2l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l n ALA 8 N 1.80 0.00 -3.33 4.61 0.00 -1.26 -4.94 120.51 117.40 1x2l n ALA 8 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1x2l n ALA 8 Cb 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 1x2l n ALA 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x2l s GLY 9 N -1.58 2.02 0.00 0.00 0.00 -1.26 -5.08 107.32 101.42 1x2l s GLY 9 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 44.72 42.37 1x2l s GLY 9 CO 0.00 1.07 0.00 -1.55 0.00 0.00 0.00 173.10 172.62 1x2l n PRO 10 N 5.00 1.05 -3.15 2.90 -0.04 -1.26 -5.12 135.00 134.38 1x2l n PRO 10 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1x2l n PRO 10 Cb 0.42 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.97 -0.55 0.53 0.55 0.00 -1.26 -5.18 107.32 100.44 1x2l s GLY 11 Ca 0.00 2.66 0.08 0.00 0.00 0.00 0.00 44.72 47.46 1x2l s GLY 11 CO 0.00 4.11 0.58 0.00 0.00 0.00 0.00 173.10 177.78 1x2l s ALA 12 N 2.99 4.51 0.00 3.20 0.00 -1.26 -5.02 121.76 126.18 1x2l s ALA 12 Ca 0.15 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1x2l s ALA 12 Cb -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1x2l s ALA 12 CO -0.16 -0.58 0.00 0.39 0.00 0.00 0.00 175.76 175.41 1x2l n GLU 13 N -1.94 0.00 -3.64 0.00 1.02 -1.26 -4.77 120.64 110.05 1x2l n GLU 13 Ca 0.07 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.98 1x2l n GLU 13 Cb 0.62 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.03 1x2l n GLU 13 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1x2l s GLU 14 N 0.00 2.39 0.18 3.49 -1.05 -1.26 -5.17 118.70 117.27 1x2l s GLU 14 Ca 0.00 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 53.07 1x2l s GLU 14 Cb 0.00 -2.29 -0.00 0.00 -0.44 0.00 0.00 34.13 31.40 1x2l s GLU 14 CO 0.00 -0.44 0.23 -0.85 0.95 0.00 0.00 175.26 175.16 1x2l n GLU 15 N -1.70 0.34 -2.30 -4.83 0.28 -1.26 -5.12 120.64 106.03 1x2l n GLU 15 Ca 0.03 -1.55 -0.42 0.00 -0.16 0.00 0.00 57.16 55.06 1x2l n GLU 15 Cb 0.63 1.43 -0.03 0.00 1.43 0.00 0.00 31.44 34.90 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 -2.49 4.31 -0.24 3.44 -1.52 -1.26 -5.01 119.66 116.89 1x2l s GLN 16 Ca 0.17 1.87 0.00 0.00 -1.95 0.00 0.00 55.36 55.45 1x2l s GLN 16 Cb -0.00 -3.55 0.03 0.00 -0.22 0.00 0.00 33.01 29.27 1x2l s GLN 16 CO 0.12 -0.52 -0.10 -0.51 -0.25 0.00 0.00 175.29 174.03 1x2l s LEU 17 N 2.26 3.03 -0.34 2.90 1.43 -1.26 -5.06 118.68 121.65 1x2l s LEU 17 Ca 0.61 -0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 52.47 1x2l s LEU 17 Cb -0.29 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1x2l s LEU 17 CO 0.25 -0.12 2.05 -1.81 0.23 0.00 0.00 176.35 176.95 1x2l s ASP 18 N 1.26 5.46 0.16 2.29 1.01 -1.26 -4.65 116.67 120.94 1x2l s ASP 18 Ca -0.01 1.40 -0.09 0.00 0.71 0.00 0.00 52.55 54.55 1x2l s ASP 18 Cb -0.17 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.26 1x2l s ASP 18 CO -0.06 -2.04 1.53 0.71 0.21 0.00 0.00 175.17 175.52 1x2l h THR 19 N 7.07 1.27 -0.17 -1.27 1.35 -1.91 0.89 112.91 120.16 1x2l h THR 19 Ca -0.34 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.02 1x2l h THR 19 Cb 1.21 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1x2l h THR 19 CO 1.04 0.50 -0.04 0.00 -0.25 0.00 0.00 175.52 176.77 1x2l h ALA 20 N 0.86 1.63 0.01 6.62 0.00 -1.86 0.77 119.26 127.29 1x2l h ALA 20 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x2l h ALA 20 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x2l h ALA 20 CO 0.08 0.27 -0.01 1.49 0.00 0.00 0.00 179.25 181.09 1x2l h GLU 21 N 0.24 -0.02 -0.71 0.00 4.57 -1.85 -1.89 114.58 114.93 1x2l h GLU 21 Ca 0.06 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.31 1x2l h GLU 21 Cb 0.23 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 1x2l h GLU 21 CO 0.01 0.77 0.39 0.82 -1.18 0.00 0.00 179.01 179.81 1x2l h ILE 22 N -0.92 0.93 0.24 2.32 2.04 -0.68 0.25 117.51 121.68 1x2l h ILE 22 Ca -0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1x2l h ILE 22 Cb 0.79 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1x2l h ILE 22 CO 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 178.15 178.09 1x2l h ALA 23 N 1.39 -0.41 -0.12 1.87 0.00 -0.92 -0.24 119.26 120.83 1x2l h ALA 23 Ca 0.33 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1x2l h ALA 23 Cb 0.26 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1x2l h ALA 23 CO -0.22 -0.75 -0.10 0.35 0.00 0.00 0.00 179.25 178.53 1x2l h PHE 24 N -0.43 -0.26 -0.70 0.00 3.04 -0.59 -1.67 116.94 116.34 1x2l h PHE 24 Ca -0.01 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1x2l h PHE 24 Cb 0.38 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1x2l h PHE 24 CO -0.12 -0.16 0.16 1.96 -2.02 0.00 0.00 178.31 178.13 1x2l h GLN 25 N -0.12 1.12 -0.08 1.11 4.20 -0.42 0.12 115.11 121.03 1x2l h GLN 25 Ca 0.08 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1x2l h GLN 25 Cb 0.24 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1x2l h GLN 25 CO -0.19 0.99 0.05 0.28 -0.67 0.00 0.00 178.83 179.29 1x2l h VAL 26 N 1.06 1.05 -0.33 -0.54 2.07 -0.94 -1.93 116.25 116.69 1x2l h VAL 26 Ca 0.22 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1x2l h VAL 26 Cb 0.38 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1x2l h VAL 26 CO 0.00 0.05 0.16 0.11 0.02 0.00 0.00 177.57 177.91 1x2l h LYS 27 N 0.08 0.47 -0.53 1.57 1.57 -0.53 -1.59 116.57 117.61 1x2l h LYS 27 Ca 0.03 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1x2l h LYS 27 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1x2l h LYS 27 CO -0.01 0.43 0.15 1.05 -0.57 0.00 0.00 179.45 180.51 1x2l h GLU 28 N 0.40 0.83 -0.59 3.15 -0.00 -0.78 -1.04 114.58 116.54 1x2l h GLU 28 Ca 0.11 -0.19 0.04 0.00 -0.00 0.00 0.00 59.36 59.32 1x2l h GLU 28 Cb 0.12 -0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 28.71 1x2l h GLU 28 CO -0.01 0.77 0.35 1.96 -0.00 0.00 0.00 179.01 182.08 1x2l h GLN 29 N 0.73 0.66 -0.02 1.06 1.08 -1.24 0.21 115.11 117.58 1x2l h GLN 29 Ca 0.17 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1x2l h GLN 29 Cb 0.30 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1x2l h GLN 29 CO -0.00 0.43 0.01 -0.07 -0.95 0.00 0.00 178.83 178.25 1x2l h LEU 30 N 0.68 0.03 -0.84 1.46 3.38 -0.89 -2.18 115.31 116.94 1x2l h LEU 30 Ca 0.25 -0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.23 1x2l h LEU 30 Cb 0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 1x2l h LEU 30 CO -0.12 0.20 0.34 -0.07 0.09 0.00 0.00 178.44 178.88 1x2l h LEU 31 N -0.14 0.28 -2.78 1.67 -0.00 -0.90 0.27 115.31 113.71 1x2l h LEU 31 Ca 0.01 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1x2l h LEU 31 Cb 0.18 0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1x2l h LEU 31 CO -0.00 0.03 -0.00 0.50 -0.00 0.00 0.00 178.44 178.97 1x2l h LYS 32 N 0.41 0.00 0.00 1.13 3.64 0.07 -1.63 116.57 120.19 1x2l h LYS 32 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1x2l h LYS 32 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1x2l h LYS 32 CO -0.49 0.00 -0.07 0.72 -2.27 0.00 0.00 179.45 177.34 1x2l n HIS 33 N -3.33 0.00 -3.38 1.91 8.25 -0.96 -5.06 115.22 112.66 1x2l n HIS 33 Ca -0.03 -0.39 -0.13 0.00 -0.26 0.00 0.00 57.72 56.92 1x2l n HIS 33 Cb 0.08 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.47 -6.46 -4.46 0.41 4.13 -0.17 -4.99 115.26 103.26 1x2l n ASN 34 Ca 0.03 -0.41 -0.26 0.00 1.68 0.00 0.00 54.58 55.62 1x2l n ASN 34 Cb 0.46 -3.60 -0.11 0.00 -1.54 0.00 0.00 39.78 34.99 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 -2.88 2.54 -0.00 2.41 1.01 0.78 -4.98 121.20 120.07 1x2l s ILE 35 Ca 0.04 -2.04 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 1x2l s ILE 35 Cb -0.01 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1x2l s ILE 35 CO 0.82 -0.17 0.13 -0.83 0.00 0.00 0.00 174.94 174.89 1x2l s GLY 36 N -2.87 2.10 0.40 6.18 0.00 -1.26 -4.45 107.32 107.41 1x2l s GLY 36 Ca 0.23 -0.82 0.10 0.00 0.00 0.00 0.00 44.72 44.23 1x2l s GLY 36 CO 0.12 -0.71 1.97 1.46 0.00 0.00 0.00 173.10 175.94 1x2l h GLN 37 N 3.92 0.56 0.15 2.90 4.20 -1.99 -2.82 115.11 122.03 1x2l h GLN 37 Ca -0.49 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.19 1x2l h GLN 37 Cb 1.18 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 1x2l h GLN 37 CO 0.66 0.37 -0.43 -0.09 -0.67 0.00 0.00 178.83 178.67 1x2l h ARG 38 N 0.57 -0.63 -0.33 1.46 2.43 -1.95 -0.19 114.38 115.74 1x2l h ARG 38 Ca 0.30 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1x2l h ARG 38 Cb 0.41 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1x2l h ARG 38 CO -0.09 -0.42 0.21 0.28 -1.51 0.00 0.00 179.97 178.44 1x2l h VAL 39 N -0.65 1.09 -0.50 0.20 2.07 -1.93 0.57 116.25 117.09 1x2l h VAL 39 Ca -0.01 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1x2l h VAL 39 Cb 0.64 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1x2l h VAL 39 CO -0.20 0.09 0.17 0.15 0.02 0.00 0.00 177.57 177.79 1x2l h PHE 40 N 0.44 0.29 -0.02 1.57 3.57 -1.40 -1.26 116.94 120.13 1x2l h PHE 40 Ca 0.12 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1x2l h PHE 40 Cb -0.03 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1x2l h PHE 40 CO -0.05 0.08 -0.61 0.78 -2.23 0.00 0.00 178.31 176.28 1x2l h GLY 41 N 0.34 0.09 1.39 2.40 0.00 -0.71 -0.35 103.07 106.23 1x2l h GLY 41 Ca 0.25 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1x2l h GLY 41 CO -0.26 0.10 -0.42 0.84 0.00 0.00 0.00 176.54 176.80 1x2l h HIS 42 N 0.06 0.80 0.00 5.60 -0.00 -0.14 0.47 115.15 121.94 1x2l h HIS 42 Ca -0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1x2l h HIS 42 Cb 1.09 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.33 1x2l h HIS 42 CO 0.01 0.97 -0.17 0.66 -0.00 0.00 0.00 177.93 179.40 1x2l n TYR 43 N -4.03 0.07 0.44 5.26 4.02 -0.55 -3.63 117.16 118.75 1x2l n TYR 43 Ca -0.02 0.03 -0.17 0.00 -0.01 0.00 0.00 57.90 57.73 1x2l n TYR 43 Cb 0.54 -0.20 -0.08 0.00 -0.02 0.00 0.00 39.34 39.57 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 -0.21 0.00 0.02 -0.72 2.07 -1.27 -3.26 116.25 112.87 1x2l h VAL 44 Ca 0.00 -0.13 -0.24 0.00 0.82 0.00 0.00 66.70 67.15 1x2l h VAL 44 Cb 0.17 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1x2l h VAL 44 CO 0.00 0.00 -1.00 -0.07 0.02 0.00 0.00 177.57 176.52 1x2l h LEU 45 N -1.26 0.61 0.00 2.57 3.38 -1.56 -3.48 115.31 115.57 1x2l h LEU 45 Ca -0.12 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1x2l h LEU 45 Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1x2l h LEU 45 CO 0.19 1.31 0.00 0.61 0.09 0.00 0.00 178.44 180.64 1x2l n GLY 46 N 1.03 0.48 3.77 0.83 0.00 0.14 -4.82 105.19 106.61 1x2l n GLY 46 Ca -0.08 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 3.30 0.72 0.99 1.43 0.26 -4.92 118.68 120.45 1x2l s LEU 47 Ca 0.00 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.16 1x2l s LEU 47 Cb 0.00 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1x2l s LEU 47 CO 0.00 -0.39 1.26 -0.44 0.23 0.00 0.00 176.35 177.01 1x2l s SER 48 N -3.91 4.15 0.31 2.29 0.01 -1.26 -3.75 113.70 111.54 1x2l s SER 48 Ca 0.40 2.52 0.03 0.00 1.31 0.00 0.00 55.95 60.21 1x2l s SER 48 Cb -0.02 -2.61 0.61 0.00 0.21 0.00 0.00 66.02 64.22 1x2l s SER 48 CO 0.24 -2.31 1.87 -0.61 0.41 0.00 0.00 173.24 172.84 1x2l h GLN 49 N -0.09 0.90 0.37 12.44 -0.00 -1.92 -2.40 115.11 124.42 1x2l h GLN 49 Ca -0.49 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.09 1x2l h GLN 49 Cb 1.32 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.59 1x2l h GLN 49 CO 0.50 0.60 -0.31 0.78 0.00 0.00 0.00 178.83 180.40 1x2l h GLY 50 N 0.93 -1.02 -0.05 2.39 0.00 -1.99 -2.22 103.07 101.12 1x2l h GLY 50 Ca 0.45 0.45 0.00 0.00 0.00 0.00 0.00 47.33 48.24 1x2l h GLY 50 CO -0.22 -0.33 -0.04 1.76 0.00 0.00 0.00 176.54 177.72 1x2l h SER 51 N -0.66 -0.14 -0.82 0.19 0.02 -1.83 -0.43 113.55 109.88 1x2l h SER 51 Ca -0.05 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1x2l h SER 51 Cb 0.56 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 1x2l h SER 51 CO -0.01 -0.02 0.51 -0.37 -1.14 0.00 0.00 176.83 175.81 1x2l h VAL 52 N -0.01 1.07 -0.86 2.27 -1.51 -1.49 -0.14 116.25 115.58 1x2l h VAL 52 Ca 0.01 -0.33 0.01 0.00 -1.23 0.00 0.00 66.70 65.15 1x2l h VAL 52 Cb 0.03 0.02 -0.04 0.00 -2.13 0.00 0.00 31.29 29.17 1x2l h VAL 52 CO -0.05 0.18 0.56 -1.28 -1.23 0.00 0.00 177.57 175.74 1x2l h SER 53 N 0.96 1.00 -0.23 4.19 0.87 -1.03 0.41 113.55 119.72 1x2l h SER 53 Ca 0.35 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1x2l h SER 53 Cb 0.10 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1x2l h SER 53 CO -0.15 0.73 0.15 -0.08 -0.53 0.00 0.00 176.83 176.95 1x2l h GLU 54 N 1.17 0.30 -0.81 2.24 4.57 0.29 0.32 114.58 122.66 1x2l h GLU 54 Ca 0.31 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.55 1x2l h GLU 54 Cb -0.12 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.34 1x2l h GLU 54 CO -0.07 0.20 0.48 0.82 -1.18 0.00 0.00 179.01 179.27 1x2l h ILE 55 N 0.30 0.99 0.00 2.32 2.04 0.65 0.11 117.51 123.93 1x2l h ILE 55 Ca 0.08 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1x2l h ILE 55 Cb -0.03 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1x2l h ILE 55 CO -0.02 0.16 -0.74 -0.07 0.00 0.00 0.00 178.15 177.48 1x2l h LEU 56 N 0.86 0.00 -0.08 1.44 3.38 -0.89 -2.42 115.31 117.61 1x2l h LEU 56 Ca 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 1x2l h LEU 56 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x2l h LEU 56 CO -0.19 0.74 -0.45 0.00 0.09 0.00 0.00 178.44 178.63 1x2l h ALA 57 N 1.26 0.16 -2.27 1.53 0.00 -0.30 -3.40 119.26 116.24 1x2l h ALA 57 Ca -0.01 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 1x2l h ALA 57 Cb 1.55 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.94 1x2l h ALA 57 CO 0.10 0.31 -0.90 0.54 0.00 0.00 0.00 179.25 179.29 1x2l n ARG 58 N -4.30 1.10 -2.24 0.00 1.74 0.33 -5.04 116.66 108.24 1x2l n ARG 58 Ca -0.08 -3.67 -0.32 0.00 -0.77 0.00 0.00 57.85 53.00 1x2l n ARG 58 Cb 0.57 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.17 2.95 0.84 5.56 0.04 -0.91 -4.61 135.00 137.70 1x2l s PRO 59 Ca 0.34 -0.79 -0.13 0.00 0.04 0.00 0.00 61.00 60.46 1x2l s PRO 59 Cb 0.11 -5.21 0.07 0.00 0.04 0.00 0.00 34.50 29.51 1x2l s PRO 59 CO -0.12 -3.05 0.97 1.63 0.04 0.00 0.00 177.00 176.47 1x2l n LYS 60 N 8.74 0.00 -1.57 4.56 5.02 -1.26 -4.43 118.16 129.22 1x2l n LYS 60 Ca 0.40 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.43 1x2l n LYS 60 Cb 0.48 -2.25 0.07 0.00 -0.02 0.00 0.00 35.03 33.31 1x2l n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x2l s PRO 61 N -3.95 2.52 0.24 1.97 0.04 -1.26 -4.72 135.00 129.84 1x2l s PRO 61 Ca 0.68 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1x2l s PRO 61 Cb -0.27 -1.91 0.38 0.00 0.04 0.00 0.00 34.50 32.73 1x2l s PRO 61 CO 0.56 -1.48 1.81 2.35 0.04 0.00 0.00 177.00 180.28 1x2l h TRP 62 N -0.30 0.83 0.00 0.56 2.91 -1.92 0.11 115.95 118.14 1x2l h TRP 62 Ca -0.46 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1x2l h TRP 62 Cb 1.25 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1x2l h TRP 62 CO 0.54 0.34 0.00 2.89 -1.03 0.00 0.00 178.44 181.18 1x2l n ARG 63 N -4.75 0.00 -0.18 2.65 0.00 -1.26 -1.99 116.66 111.13 1x2l n ARG 63 Ca 0.13 0.33 0.10 0.00 -0.00 0.00 0.00 57.85 58.40 1x2l n ARG 63 Cb 0.26 -1.50 0.27 0.00 -0.00 0.00 0.00 32.46 31.49 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 -1.49 2.10 -4.33 2.89 4.76 0.37 -4.94 118.16 117.52 1x2l n LYS 64 Ca 0.02 -1.68 -0.23 0.00 -2.87 0.00 0.00 58.31 53.56 1x2l n LYS 64 Cb 0.11 -1.42 -0.12 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.29 2.40 0.00 -0.35 1.43 -0.84 -4.93 118.68 115.10 1x2l s LEU 65 Ca 0.34 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1x2l s LEU 65 Cb 0.19 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.57 1x2l s LEU 65 CO 0.26 0.01 0.43 0.35 0.23 0.00 0.00 176.35 177.63 1x2l n THR 66 N 0.48 0.00 -0.29 5.49 -2.24 -1.26 -4.84 114.28 111.62 1x2l n THR 66 Ca -0.15 -1.08 0.11 0.00 -2.27 0.00 0.00 64.05 60.67 1x2l n THR 66 Cb 0.56 -0.70 0.26 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.08 0.30 -0.29 2.28 2.07 -1.98 0.22 116.25 118.94 1x2l h VAL 67 Ca -0.15 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1x2l h VAL 67 Cb 0.69 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1x2l h VAL 67 CO 0.22 0.03 -0.47 0.11 0.02 0.00 0.00 177.57 177.48 1x2l h LYS 68 N 0.17 0.76 -0.52 1.57 1.57 -1.99 0.19 116.57 118.32 1x2l h LYS 68 Ca 0.52 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1x2l h LYS 68 Cb 1.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1x2l h LYS 68 CO -0.67 1.07 0.35 0.78 -0.57 0.00 0.00 179.45 180.40 1x2l h GLY 69 N 0.87 0.72 0.93 3.86 0.00 -1.57 -3.08 103.07 104.80 1x2l h GLY 69 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1x2l h GLY 69 CO 0.10 0.25 -1.05 0.28 0.00 0.00 0.00 176.54 176.12 1x2l n LYS 70 N -4.46 0.59 -0.28 4.80 5.02 0.67 -4.37 118.16 120.13 1x2l n LYS 70 Ca 0.05 0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.38 1x2l n LYS 70 Cb 0.08 -1.80 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 1x2l n LYS 70 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1x2l h GLU 71 N 0.00 -0.12 0.03 1.97 4.81 -0.54 0.20 114.58 120.93 1x2l h GLU 71 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1x2l h GLU 71 Cb 0.98 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1x2l h GLU 71 CO 0.00 -0.08 -0.01 -1.00 -0.73 0.00 0.00 179.01 177.18 1x2l h PRO 72 N -0.13 -0.04 -0.68 0.92 0.13 -1.77 -2.93 132.00 127.51 1x2l h PRO 72 Ca 0.24 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.42 1x2l h PRO 72 Cb 0.56 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 1x2l h PRO 72 CO -0.80 0.20 0.45 0.74 -0.23 0.00 0.00 178.00 178.36 1x2l h PHE 73 N -0.27 0.73 0.75 1.56 0.04 -1.30 0.16 116.94 118.61 1x2l h PHE 73 Ca -0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1x2l h PHE 73 Cb 0.25 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1x2l h PHE 73 CO 0.00 0.40 -0.49 0.82 -0.60 0.00 0.00 178.31 178.45 1x2l h ILE 74 N 0.73 0.00 -0.26 -0.55 2.04 -0.69 0.30 117.51 119.09 1x2l h ILE 74 Ca 0.29 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.21 1x2l h ILE 74 Cb 0.20 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 1x2l h ILE 74 CO -0.09 0.00 -0.18 0.11 0.00 0.00 0.00 178.15 177.99 1x2l h LYS 75 N -1.17 -0.17 -0.11 2.37 1.57 -1.16 -1.38 116.57 116.53 1x2l h LYS 75 Ca -0.10 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1x2l h LYS 75 Cb 0.94 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 1x2l h LYS 75 CO 0.09 -0.11 -0.13 0.52 -0.57 0.00 0.00 179.45 179.25 1x2l h MET 76 N -0.17 -0.16 -0.89 3.15 2.86 -0.65 0.14 114.93 119.21 1x2l h MET 76 Ca 0.14 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1x2l h MET 76 Cb 0.39 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1x2l h MET 76 CO -0.36 -0.11 0.59 -0.22 1.06 0.00 0.00 176.91 177.87 1x2l h LYS 77 N -0.17 1.15 -0.31 1.72 3.64 -0.50 -1.11 116.57 121.00 1x2l h LYS 77 Ca 0.08 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1x2l h LYS 77 Cb 0.28 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1x2l h LYS 77 CO -0.21 0.76 0.01 1.96 -2.27 0.00 0.00 179.45 179.71 1x2l h GLN 78 N 1.18 0.54 -0.68 1.90 4.20 -0.45 -2.71 115.11 119.09 1x2l h GLN 78 Ca 0.33 -0.17 0.14 0.00 0.06 0.00 0.00 58.65 59.02 1x2l h GLN 78 Cb -0.11 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.51 1x2l h GLN 78 CO -0.08 0.67 0.09 0.35 -0.67 0.00 0.00 178.83 179.19 1x2l h PHE 79 N 0.34 0.12 0.00 2.96 3.04 -0.39 -0.81 116.94 122.20 1x2l h PHE 79 Ca 0.09 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1x2l h PHE 79 Cb 0.42 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1x2l h PHE 79 CO 0.03 -0.12 0.00 1.28 -2.02 0.00 0.00 178.31 177.48 1x2l n LEU 80 N -5.22 0.57 -0.07 0.59 4.77 -0.45 -2.78 117.00 114.42 1x2l n LEU 80 Ca 0.12 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.86 1x2l n LEU 80 Cb 0.41 -0.52 0.80 0.00 -2.33 0.00 0.00 43.42 41.77 1x2l n LEU 80 CO 0.12 -0.44 1.02 -0.24 -1.33 0.00 0.00 177.39 176.51 1x2l n SER 81 N -2.11 0.20 -3.58 -1.43 2.88 -0.31 -4.68 113.62 104.60 1x2l n SER 81 Ca 0.03 -1.17 -0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1x2l n SER 81 Cb 0.26 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.68 1x2l n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x2l s ASP 82 N -1.89 -1.18 0.60 -3.46 2.15 -1.12 -5.05 116.67 106.72 1x2l s ASP 82 Ca 0.42 1.48 0.40 0.00 0.43 0.00 0.00 52.55 55.27 1x2l s ASP 82 Cb 0.20 2.29 2.02 0.00 -0.30 0.00 0.00 42.92 47.12 1x2l s ASP 82 CO 0.33 -0.23 2.20 -0.08 -0.17 0.00 0.00 175.17 177.22 1x2l h GLU 83 N 8.00 0.00 -0.28 4.34 4.81 -1.83 -1.66 114.58 127.96 1x2l h GLU 83 Ca -0.19 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1x2l h GLU 83 Cb 1.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1x2l h GLU 83 CO 0.12 0.00 0.20 1.96 -0.73 0.00 0.00 179.01 180.56 1x2l h GLN 84 N 0.00 0.01 -0.55 1.92 1.08 -1.97 -2.14 115.11 113.47 1x2l h GLN 84 Ca 0.00 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1x2l h GLN 84 Cb 0.15 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1x2l h GLN 84 CO 0.00 0.00 0.02 -0.91 -0.95 0.00 0.00 178.83 176.99 1x2l h ASN 85 N 0.01 0.89 0.47 1.46 2.35 -1.54 -0.14 115.58 119.07 1x2l h ASN 85 Ca 0.13 -0.22 -0.23 0.00 -0.55 0.00 0.00 56.30 55.43 1x2l h ASN 85 Cb 0.53 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1x2l h ASN 85 CO -0.00 0.93 -0.99 1.62 -1.65 0.00 0.00 177.43 177.34 1x2l h VAL 86 N 0.85 1.45 -0.75 2.81 3.04 -1.59 -3.04 116.25 119.02 1x2l h VAL 86 Ca 0.16 -2.63 -0.04 0.00 -1.01 0.00 0.00 66.70 63.18 1x2l h VAL 86 Cb 0.48 2.54 -0.03 0.00 -2.01 0.00 0.00 31.29 32.27 1x2l h VAL 86 CO 0.02 0.78 0.31 -0.07 -1.01 0.00 0.00 177.57 177.59 1x2l h LEU 87 N 0.16 1.03 -0.85 3.16 3.38 -1.01 -1.36 115.31 119.82 1x2l h LEU 87 Ca -0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1x2l h LEU 87 Cb 1.64 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 1x2l h LEU 87 CO 0.16 0.91 0.56 0.00 0.09 0.00 0.00 178.44 180.16 1x2l h ALA 88 N 1.15 1.08 0.00 1.53 0.00 -1.09 -2.76 119.26 119.18 1x2l h ALA 88 Ca 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1x2l h ALA 88 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x2l h ALA 88 CO -0.02 0.50 -0.17 -0.07 0.00 0.00 0.00 179.25 179.48 1x2l h LEU 89 N 1.16 0.00 -0.43 0.00 -0.00 -1.14 -2.43 115.31 112.46 1x2l h LEU 89 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.18 1x2l h LEU 89 Cb -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1x2l h LEU 89 CO -0.07 0.17 0.24 0.03 -0.00 0.00 0.00 178.44 178.81 1x2l h ARG 90 N 0.00 0.61 -0.51 1.13 3.08 -1.11 -1.25 114.38 116.33 1x2l h ARG 90 Ca -0.00 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.08 1x2l h ARG 90 Cb 0.41 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 1x2l h ARG 90 CO 0.02 0.49 -0.13 1.15 -1.07 0.00 0.00 179.97 180.43 1x2l h THR 91 N 0.57 0.49 -0.49 2.04 2.02 -1.52 -1.68 112.91 114.34 1x2l h THR 91 Ca 0.15 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1x2l h THR 91 Cb 0.06 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1x2l h THR 91 CO -0.02 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.25 1x2l h ILE 92 N -0.00 1.25 -0.38 3.11 2.04 -1.40 -0.93 117.51 121.19 1x2l h ILE 92 Ca 0.24 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1x2l h ILE 92 Cb 0.38 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1x2l h ILE 92 CO -0.53 0.37 0.24 -0.61 0.00 0.00 0.00 178.15 177.62 1x2l h GLN 93 N 0.77 0.52 -0.85 2.37 5.75 -0.38 -0.93 115.11 122.36 1x2l h GLN 93 Ca 0.14 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1x2l h GLN 93 Cb 0.49 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1x2l h GLN 93 CO 0.02 0.38 0.46 -0.39 -2.65 0.00 0.00 178.83 176.65 1x2l h VAL 94 N 0.50 1.25 0.00 2.39 -1.51 -0.79 -2.35 116.25 115.75 1x2l h VAL 94 Ca 0.14 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1x2l h VAL 94 Cb -0.01 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.25 1x2l h VAL 94 CO -0.03 0.28 0.00 0.54 -1.23 0.00 0.00 177.57 177.14 1x2l n ARG 95 N -4.33 0.82 -0.14 5.19 1.74 -0.41 -4.08 116.66 115.46 1x2l n ARG 95 Ca 0.09 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.13 1x2l n ARG 95 Cb 0.10 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.20 1x2l n ARG 95 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x2l h SER 96 N 0.00 0.81 0.00 0.55 0.87 -0.62 -3.48 113.55 111.68 1x2l h SER 96 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1x2l h SER 96 Cb 0.01 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1x2l h SER 96 CO 0.00 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.75 1x2l n GLY 97 N -0.71 -1.38 2.24 5.77 0.00 -1.26 -5.12 105.19 104.74 1x2l n GLY 97 Ca 0.03 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.14 -1.66 0.00 1.61 -0.04 -1.26 -4.89 135.00 128.62 1x2l n PRO 98 Ca 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1x2l n PRO 98 Cb 0.00 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1x2l n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2l n SER 99 N -3.88 -4.67 -0.92 3.54 2.88 -1.26 -5.03 113.62 104.28 1x2l n SER 99 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1x2l n SER 99 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1x2l n SER 99 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x2l n SER 100 N -2.61 0.20 0.00 -3.46 2.88 -1.26 -5.16 113.62 104.22 1x2l n SER 100 Ca 0.00 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 1x2l n SER 100 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42