#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 -7.96 0.00 1.61 7.64 -1.26 -4.82 113.62 108.84 1x2l n SER 2 Ca 0.00 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1x2l n SER 2 Cb 0.00 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1x2l n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x2l n SER 3 N -4.21 -1.14 0.00 6.43 7.64 -1.26 -4.77 113.62 116.32 1x2l n SER 3 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1x2l n SER 3 Cb 0.57 -1.95 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1x2l n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2l n GLY 4 N -0.57 2.18 2.69 0.23 0.00 -1.26 -5.12 105.19 103.33 1x2l n GLY 4 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 2.23 -0.18 1.61 0.01 -1.26 -4.70 113.70 111.41 1x2l s SER 5 Ca 0.00 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.37 1x2l s SER 5 Cb 0.00 0.21 0.09 0.00 0.21 0.00 0.00 66.02 66.53 1x2l s SER 5 CO 0.00 -0.40 0.29 -0.44 0.41 0.00 0.00 173.24 173.10 1x2l s SER 6 N 2.27 0.59 -0.31 2.44 0.01 -1.26 -5.12 113.70 112.32 1x2l s SER 6 Ca 0.09 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1x2l s SER 6 Cb -0.15 0.75 0.10 0.00 0.21 0.00 0.00 66.02 66.93 1x2l s SER 6 CO -0.31 -0.28 0.08 -0.83 0.41 0.00 0.00 173.24 172.31 1x2l s GLY 7 N 2.44 1.29 0.69 3.44 0.00 -1.26 -5.12 107.32 108.79 1x2l s GLY 7 Ca 0.05 -1.84 -0.14 0.00 0.00 0.00 0.00 44.72 42.79 1x2l s GLY 7 CO -0.12 1.41 1.12 0.00 0.00 0.00 0.00 173.10 175.51 1x2l s ALA 8 N 1.44 2.37 -0.28 3.20 0.00 -1.26 -5.04 121.76 122.19 1x2l s ALA 8 Ca 0.09 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 1x2l s ALA 8 Cb -0.18 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1x2l s ALA 8 CO -0.20 -1.46 0.75 0.20 0.00 0.00 0.00 175.76 175.06 1x2l s GLY 9 N -2.68 1.74 0.48 0.00 0.00 -1.26 -5.06 107.32 100.55 1x2l s GLY 9 Ca 0.67 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.85 1x2l s GLY 9 CO 0.45 1.67 0.92 2.56 0.00 0.00 0.00 173.10 178.70 1x2l s PRO 10 N 2.81 3.88 0.00 2.90 0.04 -1.26 -4.98 135.00 138.40 1x2l s PRO 10 Ca 0.31 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1x2l s PRO 10 Cb -0.15 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1x2l s PRO 10 CO 0.11 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1x2l n GLY 11 N -1.54 -0.51 7.00 0.56 0.00 -1.26 -5.12 105.19 104.33 1x2l n GLY 11 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.00 -3.51 4.61 0.00 -1.26 -4.78 120.51 115.57 1x2l n ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x2l n ALA 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x2l n ALA 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x2l n GLU 13 N 0.00 1.92 -2.24 0.00 4.71 -1.26 -5.04 120.64 118.73 1x2l n GLU 13 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1x2l n GLU 13 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 1x2l n GLU 13 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1x2l n GLU 14 N 0.00 2.93 -0.77 3.49 2.13 -1.26 -4.97 120.64 122.20 1x2l n GLU 14 Ca 0.00 -2.97 -0.31 0.00 0.66 0.00 0.00 57.16 54.54 1x2l n GLU 14 Cb 0.00 -3.43 0.17 0.00 0.27 0.00 0.00 31.44 28.45 1x2l n GLU 14 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1x2l s GLU 15 N 4.09 0.89 -0.93 5.31 2.56 -1.26 -4.98 118.70 124.38 1x2l s GLU 15 Ca 0.53 1.37 -0.14 0.00 0.00 0.00 0.00 54.97 56.73 1x2l s GLU 15 Cb 0.07 -1.73 0.21 0.00 2.00 0.00 0.00 34.13 34.69 1x2l s GLU 15 CO 0.03 -2.66 0.95 -0.65 -0.56 0.00 0.00 175.26 172.37 1x2l s GLN 16 N -4.67 3.75 0.26 4.30 1.11 -1.26 -5.04 119.66 118.11 1x2l s GLN 16 Ca 0.66 -2.48 -0.31 0.00 0.01 0.00 0.00 55.36 53.24 1x2l s GLN 16 Cb -0.22 -4.59 -0.13 0.00 -1.01 0.00 0.00 33.01 27.06 1x2l s GLN 16 CO 0.59 -1.41 1.49 1.28 0.01 0.00 0.00 175.29 177.25 1x2l n LEU 17 N 4.33 3.59 -4.55 2.90 4.77 -1.26 -4.83 117.00 121.95 1x2l n LEU 17 Ca 0.19 1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 56.95 1x2l n LEU 17 Cb 0.46 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1x2l n LEU 17 CO 0.41 -0.23 1.57 -1.81 -1.33 0.00 0.00 177.39 176.00 1x2l s ASP 18 N 0.41 5.24 0.19 -1.43 1.01 -1.26 -4.53 116.67 116.31 1x2l s ASP 18 Ca 0.67 0.17 -0.10 0.00 0.71 0.00 0.00 52.55 54.01 1x2l s ASP 18 Cb -0.59 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 40.92 1x2l s ASP 18 CO 0.48 -2.44 1.75 0.71 0.21 0.00 0.00 175.17 175.88 1x2l h THR 19 N 6.95 1.25 -0.72 -1.27 1.35 -1.88 0.15 112.91 118.74 1x2l h THR 19 Ca -0.20 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 64.88 1x2l h THR 19 Cb 1.14 0.45 -0.04 0.00 -1.73 0.00 0.00 68.15 67.97 1x2l h THR 19 CO 1.22 0.32 0.48 0.00 -0.25 0.00 0.00 175.52 177.28 1x2l h ALA 20 N 1.13 1.51 -0.01 6.62 0.00 -1.88 0.51 119.26 127.14 1x2l h ALA 20 Ca 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1x2l h ALA 20 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x2l h ALA 20 CO -0.02 0.44 -0.20 1.49 0.00 0.00 0.00 179.25 180.96 1x2l h GLU 21 N 0.95 0.16 -0.18 0.00 4.57 -1.82 -0.76 114.58 117.49 1x2l h GLU 21 Ca 0.27 -0.15 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1x2l h GLU 21 Cb -0.07 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1x2l h GLU 21 CO -0.06 0.87 -0.10 0.82 -1.18 0.00 0.00 179.01 179.36 1x2l h ILE 22 N -0.50 0.69 -0.11 2.32 2.04 -0.84 0.25 117.51 121.36 1x2l h ILE 22 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1x2l h ILE 22 Cb 0.94 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1x2l h ILE 22 CO 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 178.02 1x2l h ALA 23 N 1.06 -0.11 0.01 1.87 0.00 -0.88 0.10 119.26 121.31 1x2l h ALA 23 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x2l h ALA 23 Cb 0.24 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x2l h ALA 23 CO -0.24 -0.62 -0.01 0.35 0.00 0.00 0.00 179.25 178.73 1x2l h PHE 24 N -0.22 -0.03 -0.98 0.00 3.57 -0.87 -2.00 116.94 116.41 1x2l h PHE 24 Ca 0.09 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.81 1x2l h PHE 24 Cb 0.35 0.01 -0.12 0.00 2.79 0.00 0.00 35.95 38.98 1x2l h PHE 24 CO -0.27 -0.01 0.57 1.96 -2.23 0.00 0.00 178.31 178.33 1x2l h GLN 25 N -0.02 0.63 0.11 1.11 4.20 -0.35 0.12 115.11 120.90 1x2l h GLN 25 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1x2l h GLN 25 Cb 0.02 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1x2l h GLN 25 CO -0.00 0.41 -0.05 0.28 -0.67 0.00 0.00 178.83 178.80 1x2l h VAL 26 N 0.64 1.02 -1.01 -0.54 2.07 -0.97 -1.69 116.25 115.78 1x2l h VAL 26 Ca 0.60 -0.51 0.23 0.00 0.82 0.00 0.00 66.70 67.84 1x2l h VAL 26 Cb 1.04 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.05 1x2l h VAL 26 CO -0.44 0.12 0.63 0.11 0.02 0.00 0.00 177.57 178.01 1x2l h LYS 27 N -0.39 0.55 0.28 1.57 1.57 -0.03 -0.48 116.57 119.63 1x2l h LYS 27 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1x2l h LYS 27 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x2l h LYS 27 CO 0.03 0.36 -0.13 0.93 -0.57 0.00 0.00 179.45 180.06 1x2l h GLU 28 N 0.56 -0.36 -0.68 3.15 4.39 -0.91 -1.38 114.58 119.35 1x2l h GLU 28 Ca 0.59 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.38 1x2l h GLU 28 Cb 1.21 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 1x2l h GLU 28 CO -0.36 -0.08 0.38 1.96 -1.16 0.00 0.00 179.01 179.75 1x2l h GLN 29 N -0.62 0.68 -0.52 2.33 1.08 -0.54 0.13 115.11 117.65 1x2l h GLN 29 Ca -0.04 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1x2l h GLN 29 Cb 0.44 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1x2l h GLN 29 CO 0.06 0.45 0.20 -0.07 -0.95 0.00 0.00 178.83 178.52 1x2l h LEU 30 N 0.70 0.73 -1.74 1.46 3.38 -1.07 -1.77 115.31 116.99 1x2l h LEU 30 Ca 0.31 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x2l h LEU 30 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1x2l h LEU 30 CO -0.19 0.70 -0.17 -0.07 0.09 0.00 0.00 178.44 178.81 1x2l h LEU 31 N 0.70 0.00 -1.72 1.67 3.38 -0.63 0.22 115.31 118.94 1x2l h LEU 31 Ca 0.17 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1x2l h LEU 31 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1x2l h LEU 31 CO -0.01 0.17 0.20 0.50 0.09 0.00 0.00 178.44 179.39 1x2l h LYS 32 N 0.00 0.37 0.00 1.13 3.64 0.17 -3.12 116.57 118.76 1x2l h LYS 32 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1x2l h LYS 32 Cb 0.34 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1x2l h LYS 32 CO 0.02 0.24 -0.14 0.72 -2.27 0.00 0.00 179.45 178.02 1x2l n HIS 33 N -4.49 0.00 -3.62 1.91 8.25 -1.10 -5.05 115.22 111.11 1x2l n HIS 33 Ca 0.02 -0.48 -0.33 0.00 -0.26 0.00 0.00 57.72 56.66 1x2l n HIS 33 Cb 0.09 -0.08 0.02 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 -0.66 -5.09 -4.64 0.41 3.02 -0.21 -4.90 115.26 103.19 1x2l n ASN 34 Ca 0.06 -0.52 -0.31 0.00 -0.03 0.00 0.00 54.58 53.78 1x2l n ASN 34 Cb 0.56 -1.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.07 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 -2.11 3.81 -0.03 2.41 1.01 0.62 -4.99 121.20 121.91 1x2l s ILE 35 Ca 0.22 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1x2l s ILE 35 Cb -0.02 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1x2l s ILE 35 CO 0.88 0.23 1.07 -0.83 0.00 0.00 0.00 174.94 176.29 1x2l s GLY 36 N -1.92 2.50 0.53 6.18 0.00 -1.26 -4.74 107.32 108.61 1x2l s GLY 36 Ca 0.22 0.56 0.20 0.00 0.00 0.00 0.00 44.72 45.70 1x2l s GLY 36 CO 0.13 1.92 2.11 1.46 0.00 0.00 0.00 173.10 178.72 1x2l h GLN 37 N 7.02 0.00 0.10 2.90 4.20 -1.98 -1.03 115.11 126.31 1x2l h GLN 37 Ca -0.37 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.36 1x2l h GLN 37 Cb 1.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1x2l h GLN 37 CO 0.82 0.00 -0.24 -0.09 -0.67 0.00 0.00 178.83 178.65 1x2l h ARG 38 N 0.00 -0.41 0.13 1.46 2.43 -1.92 -0.93 114.38 115.13 1x2l h ARG 38 Ca 0.07 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1x2l h ARG 38 Cb 0.29 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1x2l h ARG 38 CO -0.00 -0.27 -0.06 0.28 -1.51 0.00 0.00 179.97 178.40 1x2l h VAL 39 N -0.43 0.88 -0.54 0.20 2.07 -1.63 0.20 116.25 117.00 1x2l h VAL 39 Ca 0.03 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1x2l h VAL 39 Cb 0.46 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1x2l h VAL 39 CO -0.15 0.00 0.18 0.15 0.02 0.00 0.00 177.57 177.77 1x2l h PHE 40 N -0.18 0.31 -0.15 1.57 3.57 -1.21 -0.89 116.94 119.95 1x2l h PHE 40 Ca -0.02 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1x2l h PHE 40 Cb 0.14 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1x2l h PHE 40 CO -0.07 0.08 -0.54 0.78 -2.23 0.00 0.00 178.31 176.33 1x2l h GLY 41 N 0.35 0.49 2.00 2.40 0.00 -1.03 -0.49 103.07 106.78 1x2l h GLY 41 Ca 0.27 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1x2l h GLY 41 CO -0.28 0.50 -0.22 0.84 0.00 0.00 0.00 176.54 177.38 1x2l h HIS 42 N 0.35 0.00 0.00 5.60 -0.00 0.52 0.57 115.15 122.18 1x2l h HIS 42 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1x2l h HIS 42 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1x2l h HIS 42 CO 0.04 0.22 0.00 0.66 -0.00 0.00 0.00 177.93 178.84 1x2l n TYR 43 N -4.23 0.00 -0.31 5.26 4.02 -0.45 -4.00 117.16 117.44 1x2l n TYR 43 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 1x2l n TYR 43 Cb 0.28 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.85 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 0.00 1.01 0.00 -0.72 2.07 -1.31 -2.99 116.25 114.32 1x2l h VAL 44 Ca 0.00 -0.34 -0.34 0.00 0.82 0.00 0.00 66.70 66.85 1x2l h VAL 44 Cb 0.00 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.65 1x2l h VAL 44 CO 0.00 0.18 -2.26 0.18 0.02 0.00 0.00 177.57 175.69 1x2l n LEU 45 N -4.52 0.97 -0.79 2.57 4.77 -1.15 -4.83 117.00 114.02 1x2l n LEU 45 Ca 0.15 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1x2l n LEU 45 Cb 0.26 0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1x2l n LEU 45 CO 0.31 0.59 -0.07 0.61 -1.33 0.00 0.00 177.39 177.50 1x2l n GLY 46 N 2.05 0.12 3.63 -0.72 0.00 0.17 -4.86 105.19 105.58 1x2l n GLY 46 Ca -0.33 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.96 2.91 0.82 0.99 1.43 0.63 -4.95 118.68 118.56 1x2l s LEU 47 Ca 0.01 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 51.75 1x2l s LEU 47 Cb -0.00 -1.06 0.08 0.00 0.03 0.00 0.00 46.19 45.24 1x2l s LEU 47 CO 0.01 -0.41 1.09 -0.55 0.23 0.00 0.00 176.35 176.73 1x2l s SER 48 N -3.73 4.17 0.15 2.29 0.15 -1.26 -3.46 113.70 112.01 1x2l s SER 48 Ca 0.36 1.50 -0.17 0.00 0.70 0.00 0.00 55.95 58.33 1x2l s SER 48 Cb 0.07 -2.22 -0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1x2l s SER 48 CO 0.19 -2.20 1.80 0.06 1.20 0.00 0.00 173.24 174.29 1x2l h GLN 49 N -1.24 0.42 -0.06 5.44 3.07 -1.91 -2.08 115.11 118.75 1x2l h GLN 49 Ca -0.47 -0.03 -0.07 0.00 0.09 0.00 0.00 58.65 58.17 1x2l h GLN 49 Cb 1.26 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 1x2l h GLN 49 CO 0.56 0.28 -0.29 0.78 0.09 0.00 0.00 178.83 180.24 1x2l h GLY 50 N 0.43 0.11 0.28 0.06 0.00 -1.97 -2.50 103.07 99.49 1x2l h GLY 50 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1x2l h GLY 50 CO -0.05 0.08 -0.14 1.76 0.00 0.00 0.00 176.54 178.19 1x2l h SER 51 N 0.09 -0.32 -0.64 0.19 0.02 -1.75 -1.37 113.55 109.77 1x2l h SER 51 Ca 0.01 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1x2l h SER 51 Cb 0.57 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1x2l h SER 51 CO 0.04 -0.22 0.42 -0.37 -1.14 0.00 0.00 176.83 175.56 1x2l h VAL 52 N -0.40 1.07 -0.75 2.27 -1.51 -1.52 -1.05 116.25 114.37 1x2l h VAL 52 Ca -0.04 -0.25 0.09 0.00 -1.23 0.00 0.00 66.70 65.27 1x2l h VAL 52 Cb 0.29 0.27 -0.07 0.00 -2.13 0.00 0.00 31.29 29.65 1x2l h VAL 52 CO 0.06 0.13 0.40 -1.28 -1.23 0.00 0.00 177.57 175.66 1x2l h SER 53 N 0.74 0.55 -0.19 4.19 0.87 -1.42 0.15 113.55 118.44 1x2l h SER 53 Ca 0.26 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 1x2l h SER 53 Cb 0.11 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1x2l h SER 53 CO -0.07 0.32 0.01 -0.08 -0.53 0.00 0.00 176.83 176.47 1x2l h GLU 54 N 0.68 0.07 -0.98 2.24 4.57 -0.03 -0.43 114.58 120.71 1x2l h GLU 54 Ca 0.37 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.57 1x2l h GLU 54 Cb 0.36 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1x2l h GLU 54 CO -0.26 0.05 0.64 0.82 -1.18 0.00 0.00 179.01 179.08 1x2l h ILE 55 N 0.07 1.18 0.00 2.32 2.04 -0.46 0.10 117.51 122.77 1x2l h ILE 55 Ca 0.09 -0.43 -0.17 0.00 1.00 0.00 0.00 64.86 65.35 1x2l h ILE 55 Cb 0.10 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 1x2l h ILE 55 CO -0.14 0.23 -0.80 -0.07 0.00 0.00 0.00 178.15 177.37 1x2l h LEU 56 N 1.25 0.00 0.37 1.44 3.38 -0.67 -2.10 115.31 118.98 1x2l h LEU 56 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1x2l h LEU 56 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1x2l h LEU 56 CO -0.11 0.80 -0.18 0.00 0.09 0.00 0.00 178.44 179.04 1x2l h ALA 57 N 1.20 -0.50 -3.08 1.53 0.00 -0.37 -3.40 119.26 114.63 1x2l h ALA 57 Ca -0.01 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.11 1x2l h ALA 57 Cb 1.45 0.19 -0.41 0.00 0.00 0.00 0.00 17.79 19.03 1x2l h ALA 57 CO 0.10 -0.52 -0.66 1.03 0.00 0.00 0.00 179.25 179.21 1x2l s ARG 58 N -3.80 1.98 -1.11 0.00 0.52 0.29 -5.02 118.95 111.80 1x2l s ARG 58 Ca -0.11 -2.80 -0.22 0.00 -0.52 0.00 0.00 55.73 52.07 1x2l s ARG 58 Cb 0.01 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 1x2l s ARG 58 CO 0.38 -1.23 1.83 -1.25 0.02 0.00 0.00 175.30 175.06 1x2l s PRO 59 N -0.68 2.97 0.74 3.54 0.04 -0.79 -4.55 135.00 136.27 1x2l s PRO 59 Ca 0.22 -1.11 -0.15 0.00 0.04 0.00 0.00 61.00 60.00 1x2l s PRO 59 Cb -0.13 -5.27 0.04 0.00 0.04 0.00 0.00 34.50 29.17 1x2l s PRO 59 CO -0.09 -3.23 1.20 1.63 0.04 0.00 0.00 177.00 176.55 1x2l n LYS 60 N 8.54 0.58 -2.11 4.56 5.02 -1.26 -4.33 118.16 129.16 1x2l n LYS 60 Ca 0.43 0.27 -0.37 0.00 -2.02 0.00 0.00 58.31 56.62 1x2l n LYS 60 Cb 0.47 -2.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.72 3.43 0.32 1.97 0.04 -1.26 -4.75 135.00 131.04 1x2l s PRO 61 Ca 0.77 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.74 1x2l s PRO 61 Cb -0.33 -2.23 0.78 0.00 0.04 0.00 0.00 34.50 32.75 1x2l s PRO 61 CO 0.47 -0.85 1.80 2.35 0.04 0.00 0.00 177.00 180.81 1x2l h TRP 62 N 1.60 0.98 0.00 0.56 2.91 -1.91 0.10 115.95 120.19 1x2l h TRP 62 Ca -0.50 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.51 1x2l h TRP 62 Cb 1.27 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 1x2l h TRP 62 CO 0.50 0.25 -0.22 0.07 -1.03 0.00 0.00 178.44 178.02 1x2l h ARG 63 N 0.73 0.00 0.00 2.65 -0.00 -1.94 -1.67 114.38 114.15 1x2l h ARG 63 Ca 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.44 1x2l h ARG 63 Cb 0.89 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.85 1x2l h ARG 63 CO -0.32 0.22 -0.41 0.87 -0.00 0.00 0.00 179.97 180.33 1x2l h LYS 64 N 0.00 0.00 -7.32 0.08 1.79 -1.14 -3.46 116.57 106.51 1x2l h LYS 64 Ca -0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 1x2l h LYS 64 Cb 0.44 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.16 1x2l h LYS 64 CO 0.03 0.41 0.28 -0.51 -1.08 0.00 0.00 179.45 178.57 1x2l s LEU 65 N -7.18 2.92 0.00 2.94 1.43 -0.63 -5.03 118.68 113.13 1x2l s LEU 65 Ca -0.00 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1x2l s LEU 65 Cb 0.11 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1x2l s LEU 65 CO 0.70 -1.42 0.01 0.35 0.23 0.00 0.00 176.35 176.23 1x2l n THR 66 N -2.89 0.00 -0.05 5.49 -2.24 -1.26 -4.89 114.28 108.45 1x2l n THR 66 Ca 0.07 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1x2l n THR 66 Cb 0.59 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1x2l n THR 66 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1x2l h VAL 67 N 0.93 0.00 0.00 2.28 3.04 -1.99 0.28 116.25 120.78 1x2l h VAL 67 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1x2l h VAL 67 Cb 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.49 1x2l h VAL 67 CO 0.11 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.96 1x2l n LYS 68 N -4.46 0.02 0.07 4.17 5.02 -1.26 -0.59 118.16 121.12 1x2l n LYS 68 Ca -0.03 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 1x2l n LYS 68 Cb 0.24 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 1x2l n LYS 68 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1x2l h GLY 69 N 3.21 -0.19 1.25 0.72 0.00 -1.67 -3.39 103.07 103.00 1x2l h GLY 69 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1x2l h GLY 69 CO 0.00 -0.07 -1.05 0.50 0.00 0.00 0.00 176.54 175.92 1x2l h LYS 70 N -0.55 0.00 -0.64 4.80 1.57 0.55 -3.38 116.57 118.91 1x2l h LYS 70 Ca -0.02 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1x2l h LYS 70 Cb 0.43 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.63 1x2l h LYS 70 CO 0.03 0.24 -0.40 0.93 -0.57 0.00 0.00 179.45 179.68 1x2l h GLU 71 N 0.00 -0.17 -0.35 3.15 4.39 -1.04 0.10 114.58 120.66 1x2l h GLU 71 Ca -0.08 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1x2l h GLU 71 Cb 1.36 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 1x2l h GLU 71 CO 0.04 -0.11 0.17 -1.00 -1.16 0.00 0.00 179.01 176.94 1x2l h PRO 72 N -0.17 0.51 -0.77 2.33 0.13 -1.82 -2.70 132.00 129.50 1x2l h PRO 72 Ca 0.21 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1x2l h PRO 72 Cb 0.56 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1x2l h PRO 72 CO -0.73 0.47 0.44 0.74 -0.23 0.00 0.00 178.00 178.68 1x2l h PHE 73 N 0.43 1.03 0.13 1.56 0.04 -1.36 0.18 116.94 118.96 1x2l h PHE 73 Ca 0.12 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.89 1x2l h PHE 73 Cb 0.12 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1x2l h PHE 73 CO -0.01 0.71 -0.26 0.82 -0.60 0.00 0.00 178.31 178.96 1x2l h ILE 74 N 1.07 0.43 0.00 -0.55 2.04 -0.76 0.48 117.51 120.23 1x2l h ILE 74 Ca 0.27 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1x2l h ILE 74 Cb 0.00 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1x2l h ILE 74 CO -0.05 0.00 -0.05 0.11 0.00 0.00 0.00 178.15 178.17 1x2l h LYS 75 N -0.47 -0.08 -0.39 2.37 1.57 -1.06 -1.09 116.57 117.42 1x2l h LYS 75 Ca 0.03 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1x2l h LYS 75 Cb 0.49 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1x2l h LYS 75 CO -0.14 -0.05 0.09 0.52 -0.57 0.00 0.00 179.45 179.30 1x2l h MET 76 N -0.09 0.22 -0.36 3.15 2.86 -0.55 0.18 114.93 120.34 1x2l h MET 76 Ca 0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1x2l h MET 76 Cb 0.11 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1x2l h MET 76 CO -0.05 0.14 0.20 -0.22 1.06 0.00 0.00 176.91 178.04 1x2l h LYS 77 N 0.22 0.50 -0.69 1.72 3.64 -0.64 -2.71 116.57 118.61 1x2l h LYS 77 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1x2l h LYS 77 Cb 0.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1x2l h LYS 77 CO -0.23 0.42 0.40 1.96 -2.27 0.00 0.00 179.45 179.72 1x2l h GLN 78 N 0.45 0.96 -0.95 1.90 4.20 -0.66 -1.95 115.11 119.06 1x2l h GLN 78 Ca 0.13 -0.10 0.16 0.00 0.06 0.00 0.00 58.65 58.89 1x2l h GLN 78 Cb 0.06 -0.19 -0.08 0.00 0.30 0.00 0.00 27.48 27.57 1x2l h GLN 78 CO -0.02 0.70 0.60 0.35 -0.67 0.00 0.00 178.83 179.79 1x2l h PHE 79 N 0.95 0.94 0.00 2.96 3.04 -0.87 -1.59 116.94 122.37 1x2l h PHE 79 Ca 0.25 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.17 1x2l h PHE 79 Cb 0.01 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1x2l h PHE 79 CO -0.01 0.30 -0.26 -0.07 -2.02 0.00 0.00 178.31 176.26 1x2l h LEU 80 N 0.76 0.00 0.00 0.59 3.38 -1.03 -3.22 115.31 115.79 1x2l h LEU 80 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1x2l h LEU 80 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1x2l h LEU 80 CO -0.27 0.26 0.00 -1.20 0.09 0.00 0.00 178.44 177.32 1x2l n SER 81 N -3.33 0.00 -3.58 -0.43 7.64 -0.60 -4.42 113.62 108.91 1x2l n SER 81 Ca 0.01 -0.92 -0.16 0.00 1.01 0.00 0.00 58.87 58.80 1x2l n SER 81 Cb 0.49 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.98 0.89 0.32 6.43 2.15 -1.22 -5.04 116.67 118.23 1x2l s ASP 82 Ca 0.42 0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.82 1x2l s ASP 82 Cb 0.19 0.48 1.07 0.00 -0.30 0.00 0.00 42.92 44.37 1x2l s ASP 82 CO 0.32 -0.28 1.76 -0.08 -0.17 0.00 0.00 175.17 176.73 1x2l h GLU 83 N 8.31 0.00 0.00 4.34 4.81 -1.79 -2.60 114.58 127.66 1x2l h GLU 83 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 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 0.21 0.00 0.00 1.96 -0.73 0.00 0.00 179.01 180.45 1x2l h GLN 84 N 0.00 0.00 -0.16 1.92 4.20 -1.96 -2.63 115.11 116.48 1x2l h GLN 84 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1x2l h GLN 84 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1x2l h GLN 84 CO 0.00 0.00 -0.01 -0.91 -0.67 0.00 0.00 178.83 177.24 1x2l h ASN 85 N 0.00 0.28 0.26 1.46 2.35 -1.71 -0.57 115.58 117.65 1x2l h ASN 85 Ca 0.00 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.35 1x2l h ASN 85 Cb 0.29 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1x2l h ASN 85 CO 0.00 0.54 -0.32 1.62 -1.65 0.00 0.00 177.43 177.62 1x2l h VAL 86 N 0.01 1.25 0.00 2.81 3.04 -1.68 -0.50 116.25 121.18 1x2l h VAL 86 Ca 0.04 -1.17 -0.04 0.00 -1.01 0.00 0.00 66.70 64.53 1x2l h VAL 86 Cb 0.40 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1x2l h VAL 86 CO 0.01 0.34 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.67 1x2l h LEU 87 N 0.08 0.00 0.22 3.16 3.38 -1.18 -0.23 115.31 120.75 1x2l h LEU 87 Ca 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 1x2l h LEU 87 Cb 0.60 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 1x2l h LEU 87 CO 0.04 0.17 -1.42 0.00 0.09 0.00 0.00 178.44 177.32 1x2l h ALA 88 N 1.83 -0.11 0.00 1.53 0.00 -0.43 -3.23 119.26 118.85 1x2l h ALA 88 Ca -0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 1x2l h ALA 88 Cb 0.55 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1x2l h ALA 88 CO 0.02 0.72 -0.43 -0.07 0.00 0.00 0.00 179.25 179.49 1x2l h LEU 89 N 0.16 0.00 -0.83 0.00 -0.00 -0.23 -0.59 115.31 113.82 1x2l h LEU 89 Ca -0.24 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.55 1x2l h LEU 89 Cb 2.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.76 1x2l h LEU 89 CO 0.27 0.43 -0.14 0.08 -0.00 0.00 0.00 178.44 179.08 1x2l h ARG 90 N 0.00 0.72 -0.80 1.13 0.11 -1.20 -0.28 114.38 114.06 1x2l h ARG 90 Ca -0.00 -0.25 0.10 0.00 0.10 0.00 0.00 59.98 59.93 1x2l h ARG 90 Cb 0.77 -0.06 -0.06 0.00 1.11 0.00 0.00 29.97 31.74 1x2l h ARG 90 CO 0.06 0.83 0.52 1.15 0.10 0.00 0.00 179.97 182.63 1x2l h THR 91 N 0.65 0.94 0.00 0.08 2.02 -1.14 -0.89 112.91 114.57 1x2l h THR 91 Ca 0.11 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.84 1x2l h THR 91 Cb 0.60 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1x2l h THR 91 CO 0.04 0.13 -0.95 0.40 0.37 0.00 0.00 175.52 175.52 1x2l h ILE 92 N 0.73 1.58 -0.54 3.11 2.04 -1.07 -3.30 117.51 120.06 1x2l h ILE 92 Ca 0.37 -3.24 0.03 0.00 1.00 0.00 0.00 64.86 63.03 1x2l h ILE 92 Cb 0.47 2.78 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 1x2l h ILE 92 CO -0.15 0.90 0.31 -0.61 0.00 0.00 0.00 178.15 178.60 1x2l h GLN 93 N 0.00 0.58 0.00 2.37 -0.00 0.41 0.06 115.11 118.54 1x2l h GLN 93 Ca -0.02 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 1x2l h GLN 93 Cb 1.72 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 29.06 1x2l h GLN 93 CO 0.12 0.39 -0.24 -0.39 0.00 0.00 0.00 178.83 178.70 1x2l h VAL 94 N 0.60 0.94 -0.00 2.39 -1.51 -1.63 -1.14 116.25 115.90 1x2l h VAL 94 Ca 0.22 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1x2l h VAL 94 Cb 0.07 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1x2l h VAL 94 CO -0.12 0.24 -0.01 0.54 -1.23 0.00 0.00 177.57 176.99 1x2l n ARG 95 N -3.91 0.77 -0.04 5.19 5.12 -0.14 -4.14 116.66 119.51 1x2l n ARG 95 Ca -0.02 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.73 1x2l n ARG 95 Cb 0.33 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.05 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 0.12 0.27 -2.89 0.55 0.87 0.19 -3.48 113.55 109.19 1x2l h SER 96 Ca 0.00 -0.45 -0.11 0.00 -1.23 0.00 0.00 61.79 60.00 1x2l h SER 96 Cb 0.16 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1x2l h SER 96 CO 0.00 0.66 0.06 0.61 -0.53 0.00 0.00 176.83 177.63 1x2l n GLY 97 N 0.10 1.78 1.91 5.77 0.00 -1.26 -5.04 105.19 108.45 1x2l n GLY 97 Ca -0.06 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.41 1.48 -1.87 1.61 -0.04 -1.26 -4.91 135.00 129.59 1x2l n PRO 98 Ca -0.03 -0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 62.42 1x2l n PRO 98 Cb 0.44 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 1x2l n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2l s SER 99 N 2.09 5.95 -0.25 3.54 0.15 -1.26 -5.00 113.70 118.92 1x2l s SER 99 Ca 0.41 2.83 0.01 0.00 0.70 0.00 0.00 55.95 59.90 1x2l s SER 99 Cb 0.19 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1x2l s SER 99 CO 0.00 -1.11 -0.04 -0.55 1.20 0.00 0.00 173.24 172.74 1x2l s SER 100 N -0.61 3.95 0.00 5.45 0.15 -1.26 -5.10 113.70 116.27 1x2l s SER 100 Ca 0.61 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1x2l s SER 100 Cb -0.42 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1x2l s SER 100 CO 0.53 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.33