#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d87 s SER 2 N 0.00 7.03 -0.08 1.61 0.01 -1.26 -5.06 113.70 115.95 2d87 s SER 2 Ca 0.00 1.22 -0.30 0.00 1.31 0.00 0.00 55.95 58.19 2d87 s SER 2 Cb 0.00 -2.38 0.11 0.00 0.21 0.00 0.00 66.02 63.96 2d87 s SER 2 CO 0.00 0.13 0.93 -0.94 0.41 0.00 0.00 173.24 173.77 2d87 s SER 3 N -0.37 -0.38 0.00 2.44 1.04 -1.26 -5.03 113.70 110.14 2d87 s SER 3 Ca 0.32 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2d87 s SER 3 Cb -0.19 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2d87 s SER 3 CO 0.18 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2d87 n GLY 4 N 0.27 0.71 3.29 7.32 0.00 -1.26 -5.09 105.19 110.43 2d87 n GLY 4 Ca -0.10 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2d87 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d87 s SER 5 N -2.90 2.85 0.65 1.61 0.15 -1.26 -5.13 113.70 109.66 2d87 s SER 5 Ca 0.00 -0.46 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 2d87 s SER 5 Cb 0.00 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2d87 s SER 5 CO 0.00 0.28 1.08 -0.55 1.20 0.00 0.00 173.24 175.25 2d87 s SER 6 N -0.71 5.35 0.14 5.45 0.15 -1.26 -4.83 113.70 117.98 2d87 s SER 6 Ca 0.09 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2d87 s SER 6 Cb -0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2d87 s SER 6 CO -0.00 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.58 2d87 n GLY 7 N -0.95 -3.02 0.09 9.45 0.00 -1.26 -4.65 105.19 104.86 2d87 n GLY 7 Ca 0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 2d87 n GLY 7 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2d87 h ILE 8 N -0.07 0.66 -0.98 -0.61 1.08 -2.01 -3.35 117.51 112.23 2d87 h ILE 8 Ca -0.01 -2.30 0.28 0.00 -0.39 0.00 0.00 64.86 62.44 2d87 h ILE 8 Cb 0.26 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.17 2d87 h ILE 8 CO 0.01 0.37 0.72 0.50 -0.69 0.00 0.00 178.15 179.06 2d87 h LYS 9 N 0.00 0.00 0.00 2.37 3.64 -1.99 -1.90 116.57 118.70 2d87 h LYS 9 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2d87 h LYS 9 Cb 1.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2d87 h LYS 9 CO 0.06 0.00 -0.01 1.96 -2.27 0.00 0.00 179.45 179.19 2d87 h GLN 10 N 0.00 0.00 -0.98 1.90 1.08 -1.83 -3.29 115.11 111.99 2d87 h GLN 10 Ca 0.47 0.00 0.36 0.00 -1.45 0.00 0.00 58.65 58.02 2d87 h GLN 10 Cb 1.90 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 29.22 2d87 h GLN 10 CO -0.00 0.00 0.61 0.00 -0.95 0.00 0.00 178.83 178.48 2d87 n MET 11 N -2.58 -0.03 0.22 1.46 0.00 -1.06 0.13 117.12 115.25 2d87 n MET 11 Ca -0.00 1.00 -0.15 0.00 0.00 0.00 0.00 57.70 58.55 2d87 n MET 11 Cb 0.01 -1.92 -0.08 0.00 0.00 0.00 0.00 33.22 31.23 2d87 n MET 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2d87 h LEU 12 N 0.00 -0.43 -1.30 3.17 3.38 -1.48 0.70 115.31 119.34 2d87 h LEU 12 Ca 0.67 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.58 2d87 h LEU 12 Cb 2.06 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.91 2d87 h LEU 12 CO -0.43 -0.27 0.01 0.25 0.09 0.00 0.00 178.44 178.09 2d87 h LEU 13 N -0.56 0.44 0.00 1.67 5.85 0.10 0.20 115.31 123.01 2d87 h LEU 13 Ca -0.05 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2d87 h LEU 13 Cb 0.42 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2d87 h LEU 13 CO 0.09 0.50 -0.04 0.44 -0.34 0.00 0.00 178.44 179.09 2d87 h ASP 14 N 0.46 0.00 0.00 1.25 3.32 -0.89 -3.31 116.42 117.25 2d87 h ASP 14 Ca 0.10 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2d87 h ASP 14 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2d87 h ASP 14 CO 0.01 0.00 -0.81 -0.25 -1.72 0.00 0.00 179.24 176.47 2d87 h TRP 15 N 0.00 0.00 -0.97 4.55 7.01 0.14 -3.32 115.95 123.36 2d87 h TRP 15 Ca 0.00 0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.20 2d87 h TRP 15 Cb 0.89 0.00 -0.18 0.00 -2.10 0.00 0.00 29.16 27.77 2d87 h TRP 15 CO 0.00 0.65 -0.23 0.00 -2.79 0.00 0.00 178.44 176.07 2d87 h ARG 17 N 0.00 -0.27 -1.03 0.00 3.08 -1.76 0.98 114.38 115.38 2d87 h ARG 17 Ca 0.47 0.02 0.35 0.00 0.07 0.00 0.00 59.98 60.89 2d87 h ARG 17 Cb 0.74 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.70 2d87 h ARG 17 CO -0.99 -0.18 0.59 0.00 -1.07 0.00 0.00 179.97 178.31 2d87 h ALA 18 N 0.58 2.07 0.00 0.04 0.00 -0.46 1.27 119.26 122.76 2d87 h ALA 18 Ca 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2d87 h ALA 18 Cb 0.29 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2d87 h ALA 18 CO -0.06 -0.72 -0.88 0.87 0.00 0.00 0.00 179.25 178.45 2d87 h LYS 19 N 0.23 0.00 -0.81 0.00 1.79 -0.96 -3.31 116.57 113.52 2d87 h LYS 19 Ca 0.77 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.77 2d87 h LYS 19 Cb 1.87 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 32.26 2d87 h LYS 19 CO -0.62 0.26 0.42 2.41 -1.08 0.00 0.00 179.45 180.84 2d87 n THR 20 N -2.98 3.08 -3.00 -0.16 -1.04 0.40 -4.75 114.28 105.84 2d87 n THR 20 Ca -0.02 -2.46 -0.36 0.00 -2.04 0.00 0.00 64.05 59.17 2d87 n THR 20 Cb 0.71 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 68.57 2d87 n THR 20 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2d87 s ARG 21 N -3.40 4.35 0.00 -2.82 0.52 0.86 -4.05 118.95 114.40 2d87 s ARG 21 Ca 0.55 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 2d87 s ARG 21 Cb 0.46 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2d87 s ARG 21 CO 0.05 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.13 2d87 n GLY 22 N 0.61 2.57 3.59 -3.53 0.00 -1.26 -5.01 105.19 102.15 2d87 n GLY 22 Ca -0.01 -0.59 -0.60 0.00 0.00 0.00 0.00 46.02 44.82 2d87 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d87 n TYR 23 N 0.00 1.12 -2.82 1.61 4.02 -1.26 -4.91 117.16 114.93 2d87 n TYR 23 Ca 0.00 1.00 -0.32 0.00 -0.01 0.00 0.00 57.90 58.57 2d87 n TYR 23 Cb 0.00 -2.18 -0.05 0.00 -0.02 0.00 0.00 39.34 37.09 2d87 n TYR 23 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2d87 s GLU 24 N 1.03 3.99 -1.60 -0.72 2.56 -1.26 -3.88 118.70 118.82 2d87 s GLU 24 Ca 0.94 0.80 -0.03 0.00 0.00 0.00 0.00 54.97 56.68 2d87 s GLU 24 Cb -1.27 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 32.57 2d87 s GLU 24 CO 0.62 -0.04 0.41 0.72 -0.56 0.00 0.00 175.26 176.41 2d87 n HIS 25 N -0.94 -1.62 -3.99 5.30 8.25 -1.26 -4.99 115.22 115.98 2d87 n HIS 25 Ca 0.05 0.35 -0.13 0.00 -0.26 0.00 0.00 57.72 57.73 2d87 n HIS 25 Cb 0.54 -4.27 -0.13 0.00 1.12 0.00 0.00 29.99 27.25 2d87 n HIS 25 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2d87 s VAL 26 N -3.12 0.18 -0.30 1.59 1.01 -1.25 -4.90 120.40 113.61 2d87 s VAL 26 Ca 0.20 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 2d87 s VAL 26 Cb -0.09 -0.20 0.16 0.00 0.00 0.00 0.00 36.38 36.26 2d87 s VAL 26 CO 0.25 -0.08 0.80 -1.81 0.00 0.00 0.00 175.10 174.25 2d87 s ASP 27 N -0.41 -0.94 -1.08 3.32 1.01 -1.26 -4.98 116.67 112.32 2d87 s ASP 27 Ca -0.03 0.97 -0.08 0.00 0.71 0.00 0.00 52.55 54.12 2d87 s ASP 27 Cb -0.03 1.94 0.27 0.00 1.01 0.00 0.00 42.92 46.11 2d87 s ASP 27 CO -0.00 -0.18 1.08 -0.38 0.21 0.00 0.00 175.17 175.90 2d87 n ILE 28 N 5.31 4.36 0.08 0.77 5.41 -1.26 -4.80 119.36 129.24 2d87 n ILE 28 Ca -0.07 -5.37 -0.18 0.00 1.00 0.00 0.00 62.75 58.12 2d87 n ILE 28 Cb 0.51 -2.53 -0.14 0.00 -0.71 0.00 0.00 39.64 36.76 2d87 n ILE 28 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2d87 h GLN 29 N 6.48 0.30 -2.23 0.38 1.08 -1.95 -3.47 115.11 115.70 2d87 h GLN 29 Ca 0.18 -0.52 -0.07 0.00 -1.45 0.00 0.00 58.65 56.79 2d87 h GLN 29 Cb 0.85 0.19 -0.20 0.00 -0.05 0.00 0.00 27.48 28.28 2d87 h GLN 29 CO 1.01 1.19 0.08 0.54 -0.95 0.00 0.00 178.83 180.70 2d87 s ASN 30 N -7.11 -0.57 -0.10 1.46 6.03 -1.26 -5.04 114.94 108.36 2d87 s ASN 30 Ca -0.09 0.66 -0.06 0.00 -1.03 0.00 0.00 52.86 52.34 2d87 s ASN 30 Cb 0.06 0.58 -0.24 0.00 -3.03 0.00 0.00 41.25 38.63 2d87 s ASN 30 CO 0.87 -0.53 3.35 0.49 -2.03 0.00 0.00 177.10 179.24 2d87 n PHE 31 N 1.19 0.14 0.00 1.54 3.72 -1.26 -3.70 117.46 119.10 2d87 n PHE 31 Ca -0.19 -1.48 0.00 0.00 -0.05 0.00 0.00 57.45 55.73 2d87 n PHE 31 Cb 0.57 -1.56 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 2d87 n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2d87 n SER 32 N 2.61 0.00 -0.80 4.37 2.88 -1.26 -2.39 113.62 119.03 2d87 n SER 32 Ca 0.42 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 58.01 2d87 n SER 32 Cb 0.81 -0.14 0.10 0.00 -0.75 0.00 0.00 64.21 64.23 2d87 n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d87 n SER 33 N -2.44 1.29 0.12 -3.46 3.41 -1.26 -2.71 113.62 108.57 2d87 n SER 33 Ca 0.00 -2.82 0.12 0.00 -0.26 0.00 0.00 58.87 55.91 2d87 n SER 33 Cb 0.00 -0.38 0.13 0.00 -0.26 0.00 0.00 64.21 63.70 2d87 n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2d87 h SER 34 N 0.68 0.00 0.00 4.04 0.02 -1.88 -3.34 113.55 113.07 2d87 h SER 34 Ca -0.08 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2d87 h SER 34 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2d87 h SER 34 CO 0.03 0.03 -0.70 0.79 -1.14 0.00 0.00 176.83 175.85 2d87 n TRP 35 N -2.55 0.00 0.05 3.45 7.02 -1.26 -4.59 117.44 119.55 2d87 n TRP 35 Ca 0.02 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.70 2d87 n TRP 35 Cb 0.50 -0.06 0.55 0.00 -2.42 0.00 0.00 31.31 29.88 2d87 n TRP 35 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2d87 h SER 36 N 0.00 0.00 0.33 -0.99 0.87 -1.84 -0.54 113.55 111.37 2d87 h SER 36 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2d87 h SER 36 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2d87 h SER 36 CO 0.00 0.00 -0.16 0.44 -0.53 0.00 0.00 176.83 176.58 2d87 h ASP 37 N 0.00 -0.37 0.00 6.23 5.19 -1.81 -3.49 116.42 122.17 2d87 h ASP 37 Ca 0.24 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2d87 h ASP 37 Cb 1.80 0.10 0.00 0.00 0.18 0.00 0.00 39.33 41.41 2d87 h ASP 37 CO -0.00 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 2d87 n GLY 38 N 0.61 2.46 0.30 2.75 0.00 -0.21 -4.59 105.19 106.51 2d87 n GLY 38 Ca -0.05 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.66 2d87 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d87 n MET 39 N 0.00 -0.07 -0.01 1.61 2.81 -1.26 -1.31 117.12 118.89 2d87 n MET 39 Ca 0.00 1.30 -0.00 0.00 -1.81 0.00 0.00 57.70 57.19 2d87 n MET 39 Cb 0.00 -2.08 -0.00 0.00 -0.71 0.00 0.00 33.22 30.43 2d87 n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d87 n ALA 40 N -3.18 -0.01 -0.23 3.04 0.00 -1.26 -0.48 120.51 118.39 2d87 n ALA 40 Ca 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 2d87 n ALA 40 Cb 0.70 0.44 0.04 0.00 0.00 0.00 0.00 19.45 20.62 2d87 n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d87 h PHE 41 N 0.00 -0.65 -0.14 0.00 0.04 -1.51 -1.43 116.94 113.25 2d87 h PHE 41 Ca 0.00 0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.88 2d87 h PHE 41 Cb 0.01 0.39 -0.07 0.00 2.20 0.00 0.00 35.95 38.48 2d87 h PHE 41 CO -0.84 -0.34 -0.52 0.00 -0.60 0.00 0.00 178.31 176.01 2d87 h ALA 43 N -0.19 -0.52 -0.78 0.00 0.00 0.28 0.36 119.26 118.40 2d87 h ALA 43 Ca 0.04 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.20 2d87 h ALA 43 Cb 0.67 1.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.37 2d87 h ALA 43 CO -0.43 -0.92 0.08 1.25 0.00 0.00 0.00 179.25 179.22 2d87 h LEU 44 N -0.30 -0.22 0.42 0.00 5.85 -0.90 -1.70 115.31 118.47 2d87 h LEU 44 Ca 0.13 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 2d87 h LEU 44 Cb 0.57 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2d87 h LEU 44 CO -0.65 -0.15 -0.20 0.58 -0.34 0.00 0.00 178.44 177.67 2d87 h VAL 45 N 0.15 0.00 -0.71 1.05 2.07 -0.10 -3.21 116.25 115.50 2d87 h VAL 45 Ca 0.44 -0.24 0.23 0.00 0.82 0.00 0.00 66.70 67.95 2d87 h VAL 45 Cb 0.81 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.45 2d87 h VAL 45 CO -0.64 0.00 0.13 1.57 0.02 0.00 0.00 177.57 178.65 2d87 n HIS 46 N -4.19 0.57 -0.23 1.57 -0.00 0.10 0.15 115.22 113.20 2d87 n HIS 46 Ca -0.07 0.85 0.01 0.00 -0.00 0.00 0.00 57.72 58.51 2d87 n HIS 46 Cb 0.22 -1.11 0.09 0.00 -0.00 0.00 0.00 29.99 29.19 2d87 n HIS 46 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 2d87 h ASN 47 N 0.00 -0.55 0.24 0.26 -0.73 -1.32 -0.41 115.58 113.06 2d87 h ASN 47 Ca 0.49 0.20 -0.01 0.00 1.87 0.00 0.00 56.30 58.84 2d87 h ASN 47 Cb 1.11 0.39 0.00 0.00 0.27 0.00 0.00 38.32 40.10 2d87 h ASN 47 CO -0.63 -0.21 -0.11 -0.26 -0.37 0.00 0.00 177.43 175.85 2d87 h PHE 48 N 0.02 -0.29 -3.49 0.67 0.04 0.13 -3.40 116.94 110.62 2d87 h PHE 48 Ca 0.33 -0.01 -0.70 0.00 2.80 0.00 0.00 57.97 60.40 2d87 h PHE 48 Cb 0.53 0.10 -0.35 0.00 2.20 0.00 0.00 35.95 38.42 2d87 h PHE 48 CO -0.51 -0.18 -0.27 -0.06 -0.60 0.00 0.00 178.31 176.68 2d87 s PHE 49 N -2.78 3.55 0.14 -0.55 0.08 -0.99 -4.91 117.98 112.52 2d87 s PHE 49 Ca -0.05 -2.80 -0.11 0.00 0.12 0.00 0.00 56.93 54.10 2d87 s PHE 49 Cb 0.00 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 2d87 s PHE 49 CO 0.14 -0.81 1.48 -1.00 -0.10 0.00 0.00 175.22 174.93 2d87 h PRO 50 N 6.72 0.94 0.00 0.24 0.13 -1.30 -3.05 132.00 135.67 2d87 h PRO 50 Ca 0.04 -0.50 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2d87 h PRO 50 Cb 0.91 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2d87 h PRO 50 CO 0.75 1.15 -0.35 1.05 -0.23 0.00 0.00 178.00 180.37 2d87 h GLU 51 N 0.76 0.00 -0.90 0.86 4.11 -1.91 -3.00 114.58 114.51 2d87 h GLU 51 Ca 0.06 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.67 2d87 h GLU 51 Cb 0.98 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2d87 h GLU 51 CO 0.10 0.35 0.58 0.00 0.07 0.00 0.00 179.01 180.11 2d87 h ALA 52 N 1.65 2.03 -1.71 1.06 0.00 -1.92 -3.43 119.26 116.94 2d87 h ALA 52 Ca -0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2d87 h ALA 52 Cb 0.76 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.27 2d87 h ALA 52 CO 0.05 -0.30 0.42 -0.59 0.00 0.00 0.00 179.25 178.82 2d87 s PHE 53 N -5.55 -0.47 -0.05 0.00 -0.71 -1.13 -4.97 117.98 105.10 2d87 s PHE 53 Ca -0.09 0.81 -0.24 0.00 -1.04 0.00 0.00 56.93 56.36 2d87 s PHE 53 Cb 0.23 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 2d87 s PHE 53 CO 0.79 -0.43 0.74 -0.51 -1.34 0.00 0.00 175.22 174.47 2d87 s ASP 54 N -1.13 7.06 -0.07 1.98 1.01 -1.26 -4.75 116.67 119.51 2d87 s ASP 54 Ca -0.05 1.27 -0.09 0.00 0.71 0.00 0.00 52.55 54.39 2d87 s ASP 54 Cb -0.00 -2.44 -0.06 0.00 1.01 0.00 0.00 42.92 41.43 2d87 s ASP 54 CO 0.04 -0.13 0.36 0.22 0.21 0.00 0.00 175.17 175.88 2d87 h TYR 55 N 6.69 -0.21 -1.34 4.23 3.20 -1.96 -3.29 116.97 124.28 2d87 h TYR 55 Ca -0.41 -0.01 0.39 0.00 3.14 0.00 0.00 58.73 61.84 2d87 h TYR 55 Cb 1.20 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 2d87 h TYR 55 CO 0.65 -0.05 0.96 0.78 -1.64 0.00 0.00 178.16 178.86 2d87 h GLY 56 N -1.04 0.01 1.53 1.82 0.00 -2.02 0.67 103.07 104.04 2d87 h GLY 56 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2d87 h GLY 56 CO 0.04 -0.00 0.05 1.46 0.00 0.00 0.00 176.54 178.08 2d87 h GLN 57 N 0.00 0.59 -7.31 4.80 4.20 -1.99 -3.43 115.11 111.97 2d87 h GLN 57 Ca 0.64 -0.12 -0.49 0.00 0.06 0.00 0.00 58.65 58.74 2d87 h GLN 57 Cb 2.56 -0.09 0.15 0.00 0.30 0.00 0.00 27.48 30.40 2d87 h GLN 57 CO -0.01 0.58 0.25 -0.51 -0.67 0.00 0.00 178.83 178.47 2d87 s LEU 58 N -9.15 2.47 0.07 1.46 1.43 0.23 -5.07 118.68 110.12 2d87 s LEU 58 Ca -0.08 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 2d87 s LEU 58 Cb 0.16 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2d87 s LEU 58 CO 0.77 -2.60 -0.12 -0.44 0.23 0.00 0.00 176.35 174.19 2d87 s SER 59 N -3.28 1.44 0.12 2.29 0.01 -1.26 -5.04 113.70 107.98 2d87 s SER 59 Ca 0.63 -0.66 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 2d87 s SER 59 Cb -0.19 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 2d87 s SER 59 CO 0.57 -0.16 1.45 1.55 0.41 0.00 0.00 173.24 177.06 2d87 h PRO 60 N 4.11 0.83 -0.83 12.44 0.13 -1.97 -3.09 132.00 143.61 2d87 h PRO 60 Ca -0.39 -0.44 0.18 0.00 -0.87 0.00 0.00 66.00 64.49 2d87 h PRO 60 Cb 1.19 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2d87 h PRO 60 CO 0.44 1.07 0.56 0.37 -0.23 0.00 0.00 178.00 180.21 2d87 h GLN 61 N 0.61 0.37 -6.28 0.86 4.15 -1.97 -3.39 115.11 109.46 2d87 h GLN 61 Ca 0.05 -0.02 -0.57 0.00 0.77 0.00 0.00 58.65 58.89 2d87 h GLN 61 Cb 0.92 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 2d87 h GLN 61 CO 0.08 0.24 1.14 -0.80 -1.93 0.00 0.00 178.83 177.57 2d87 s ASN 62 N -5.78 6.34 -0.07 -0.69 0.01 -1.17 -4.86 114.94 108.71 2d87 s ASN 62 Ca -0.08 1.61 0.15 0.00 -0.71 0.00 0.00 52.86 53.83 2d87 s ASN 62 Cb 0.22 -2.53 -0.23 0.00 0.41 0.00 0.00 41.25 39.12 2d87 s ASN 62 CO 0.77 -1.30 0.50 0.54 -1.51 0.00 0.00 177.10 176.11 2d87 n ARG 63 N 7.73 0.65 -0.03 -0.60 1.74 -1.26 -3.99 116.66 120.89 2d87 n ARG 63 Ca 0.19 0.18 -0.02 0.00 -0.77 0.00 0.00 57.85 57.43 2d87 n ARG 63 Cb 0.45 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 2d87 n ARG 63 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d87 h ARG 64 N 0.00 0.00 -0.92 5.56 3.08 -1.91 -3.35 114.38 116.85 2d87 h ARG 64 Ca -0.34 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.84 2d87 h ARG 64 Cb 1.99 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.90 2d87 h ARG 64 CO 0.06 0.00 -0.46 0.37 -1.07 0.00 0.00 179.97 178.87 2d87 h GLN 65 N -0.48 -0.04 -0.89 0.04 4.15 -1.98 0.37 115.11 116.28 2d87 h GLN 65 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.63 2d87 h GLN 65 Cb 0.17 0.01 -0.17 0.00 0.21 0.00 0.00 27.48 27.70 2d87 h GLN 65 CO 0.00 -0.03 -0.11 -0.91 -1.93 0.00 0.00 178.83 175.85 2d87 h ASN 66 N -0.04 -0.64 0.13 -0.69 2.35 -1.78 0.47 115.58 115.37 2d87 h ASN 66 Ca 0.26 0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 56.26 2d87 h ASN 66 Cb 0.54 0.50 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2d87 h ASN 66 CO -0.92 -0.29 -0.06 -0.26 -1.65 0.00 0.00 177.43 174.25 2d87 h PHE 67 N 0.02 -0.17 0.09 1.19 -1.00 -0.55 -2.99 116.94 113.54 2d87 h PHE 67 Ca 0.47 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2d87 h PHE 67 Cb 0.82 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.42 2d87 h PHE 67 CO -0.59 0.27 -0.19 0.93 -1.61 0.00 0.00 178.31 177.12 2d87 h GLU 68 N -0.69 -0.29 -0.96 1.51 5.08 0.81 -2.10 114.58 117.94 2d87 h GLU 68 Ca -0.02 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2d87 h GLU 68 Cb 0.51 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.69 2d87 h GLU 68 CO 0.03 -0.20 -0.46 0.28 -1.00 0.00 0.00 179.01 177.67 2d87 n VAL 69 N -3.51 -0.57 -0.29 3.13 0.31 0.15 0.81 118.33 118.35 2d87 n VAL 69 Ca -0.04 2.29 0.12 0.00 -0.01 0.00 0.00 64.34 66.70 2d87 n VAL 69 Cb 0.16 -2.93 0.28 0.00 -0.91 0.00 0.00 33.84 30.43 2d87 n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d87 h ALA 70 N 0.96 1.31 0.12 3.52 0.00 -1.34 0.42 119.26 124.25 2d87 h ALA 70 Ca 0.26 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2d87 h ALA 70 Cb 0.50 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2d87 h ALA 70 CO -0.93 -0.36 -0.06 0.74 0.00 0.00 0.00 179.25 178.64 2d87 h PHE 71 N 0.34 -0.15 -0.60 0.00 0.04 0.11 -3.16 116.94 113.52 2d87 h PHE 71 Ca 0.53 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.38 2d87 h PHE 71 Cb 1.00 0.05 -0.11 0.00 2.20 0.00 0.00 35.95 39.09 2d87 h PHE 71 CO -0.18 -0.09 -0.46 0.77 -0.60 0.00 0.00 178.31 177.75 2d87 h SER 72 N -0.40 -1.58 -0.91 2.17 0.02 -0.31 0.10 113.55 112.64 2d87 h SER 72 Ca -0.02 0.25 0.22 0.00 -0.84 0.00 0.00 61.79 61.41 2d87 h SER 72 Cb 0.13 0.71 -0.17 0.00 0.14 0.00 0.00 62.40 63.21 2d87 h SER 72 CO 0.03 -0.34 -0.06 0.28 -1.14 0.00 0.00 176.83 175.61 2d87 h SER 73 N -0.23 -0.56 0.76 3.07 0.02 -0.31 -0.24 113.55 116.05 2d87 h SER 73 Ca 0.17 0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 2d87 h SER 73 Cb 0.56 0.48 0.01 0.00 0.14 0.00 0.00 62.40 63.59 2d87 h SER 73 CO -0.70 -0.30 -0.37 0.00 -1.14 0.00 0.00 176.83 174.33 2d87 h ALA 74 N 1.90 -1.02 -0.45 3.77 0.00 -0.82 -2.79 119.26 119.85 2d87 h ALA 74 Ca 0.51 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2d87 h ALA 74 Cb 0.94 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2d87 h ALA 74 CO -0.87 -0.95 0.82 1.49 0.00 0.00 0.00 179.25 179.74 2d87 h GLU 75 N -1.27 0.00 -0.12 0.00 4.81 0.06 0.43 114.58 118.49 2d87 h GLU 75 Ca -0.10 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2d87 h GLU 75 Cb 0.79 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 2d87 h GLU 75 CO 0.17 0.00 -0.35 1.15 -0.73 0.00 0.00 179.01 179.25 2d87 h THR 76 N 0.00 0.00 0.00 0.32 2.02 -0.80 -1.98 112.91 112.47 2d87 h THR 76 Ca 0.21 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.32 2d87 h THR 76 Cb 1.85 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2d87 h THR 76 CO -0.00 0.00 -1.41 0.00 0.37 0.00 0.00 175.52 174.48 2d87 n HIS 77 N -4.41 0.00 0.15 3.16 1.44 -0.72 -4.57 115.22 110.27 2d87 n HIS 77 Ca -0.04 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.71 2d87 n HIS 77 Cb 0.24 -0.26 0.04 0.00 0.12 0.00 0.00 29.99 30.13 2d87 n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2d87 h ALA 78 N 0.48 0.72 -6.71 1.59 0.00 -0.31 -3.48 119.26 111.55 2d87 h ALA 78 Ca -0.10 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 2d87 h ALA 78 Cb 0.94 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 2d87 h ALA 78 CO 0.01 0.54 -0.91 -3.47 0.00 0.00 0.00 179.25 175.41 2d87 n ASP 79 N -3.19 0.01 -4.75 0.00 -0.08 -0.74 -4.85 116.55 102.94 2d87 n ASP 79 Ca 0.02 -1.10 -0.40 0.00 -1.51 0.00 0.00 54.79 51.80 2d87 n ASP 79 Cb 0.71 -2.53 -0.05 0.00 2.34 0.00 0.00 41.12 41.58 2d87 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d87 s PRO 81 N -0.29 2.85 -0.34 0.00 0.04 -1.26 -4.68 135.00 131.32 2d87 s PRO 81 Ca 0.40 0.81 -0.36 0.00 0.04 0.00 0.00 61.00 61.89 2d87 s PRO 81 Cb -0.22 -4.32 -0.12 0.00 0.04 0.00 0.00 34.50 29.88 2d87 s PRO 81 CO 0.25 -2.46 2.12 1.04 0.04 0.00 0.00 177.00 177.99 2d87 n GLN 82 N 8.94 1.06 -0.10 4.56 6.02 -1.26 -4.83 117.38 131.77 2d87 n GLN 82 Ca 0.21 0.31 -0.19 0.00 -0.01 0.00 0.00 57.00 57.32 2d87 n GLN 82 Cb 0.51 -2.36 -0.08 0.00 1.02 0.00 0.00 30.24 29.33 2d87 n GLN 82 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2d87 n LEU 83 N 9.00 1.88 -4.77 1.08 4.77 -1.26 -4.94 117.00 122.77 2d87 n LEU 83 Ca 0.40 0.44 -0.40 0.00 -0.03 0.00 0.00 56.01 56.41 2d87 n LEU 83 Cb 0.20 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 2d87 n LEU 83 CO 0.77 0.14 0.90 -0.76 -1.33 0.00 0.00 177.39 177.11 2d87 s LEU 84 N -7.86 4.39 -0.98 2.23 1.43 -1.26 -4.97 118.68 111.66 2d87 s LEU 84 Ca -0.28 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 2d87 s LEU 84 Cb 0.07 -3.74 0.23 0.00 0.03 0.00 0.00 46.19 42.78 2d87 s LEU 84 CO 0.47 -0.48 0.98 -1.81 0.23 0.00 0.00 176.35 175.74 2d87 s ASP 85 N -0.75 7.01 0.20 2.29 1.01 -1.26 -4.92 116.67 120.25 2d87 s ASP 85 Ca 0.50 -3.04 -0.06 0.00 0.71 0.00 0.00 52.55 50.66 2d87 s ASP 85 Cb -0.36 -2.24 0.32 0.00 1.01 0.00 0.00 42.92 41.66 2d87 s ASP 85 CO 0.46 -0.50 1.11 0.41 0.21 0.00 0.00 175.17 176.87 2d87 n THR 86 N 3.59 -0.30 -0.26 -1.27 -1.04 -1.26 0.19 114.28 113.93 2d87 n THR 86 Ca 0.20 1.64 0.07 0.00 -2.04 0.00 0.00 64.05 63.92 2d87 n THR 86 Cb 0.44 -2.26 0.20 0.00 -1.82 0.00 0.00 70.33 66.88 2d87 n THR 86 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2d87 h GLU 87 N 0.00 0.23 0.04 -2.82 4.39 -1.99 0.33 114.58 114.76 2d87 h GLU 87 Ca 0.34 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.79 2d87 h GLU 87 Cb 0.52 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2d87 h GLU 87 CO -0.73 0.15 -1.10 -0.44 -1.16 0.00 0.00 179.01 175.72 2d87 h ASP 88 N 0.23 0.12 -0.73 1.42 3.32 0.17 -3.30 116.42 117.66 2d87 h ASP 88 Ca 0.44 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 2d87 h ASP 88 Cb 0.79 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 2d87 h ASP 88 CO -0.56 1.11 0.28 0.24 -1.72 0.00 0.00 179.24 178.58 2d87 h MET 89 N 0.02 1.12 0.25 3.56 2.86 0.18 -0.63 114.93 122.30 2d87 h MET 89 Ca -0.06 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2d87 h MET 89 Cb 1.84 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.32 2d87 h MET 89 CO 0.15 0.92 -0.16 0.28 1.06 0.00 0.00 176.91 179.16 2d87 h VAL 90 N 1.09 0.00 -0.80 -2.22 2.07 -0.54 -3.09 116.25 112.77 2d87 h VAL 90 Ca 0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.86 2d87 h VAL 90 Cb 0.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2d87 h VAL 90 CO -0.02 0.00 0.44 0.08 0.02 0.00 0.00 177.57 178.10 2d87 h ARG 91 N -0.39 0.73 -6.39 1.57 0.11 -1.65 -3.42 114.38 104.93 2d87 h ARG 91 Ca -0.03 -0.04 -0.63 0.00 0.10 0.00 0.00 59.98 59.37 2d87 h ARG 91 Cb 0.31 -0.16 0.06 0.00 1.11 0.00 0.00 29.97 31.29 2d87 h ARG 91 CO 0.03 0.48 0.56 1.28 0.10 0.00 0.00 179.97 182.43 2d87 n LEU 92 N -4.77 2.28 -0.25 0.08 4.77 -0.24 -4.83 117.00 114.04 2d87 n LEU 92 Ca 0.13 1.11 0.16 0.00 -0.03 0.00 0.00 56.01 57.38 2d87 n LEU 92 Cb 0.27 -1.30 0.46 0.00 -2.33 0.00 0.00 43.42 40.52 2d87 n LEU 92 CO 0.27 -0.76 1.22 -0.09 -1.33 0.00 0.00 177.39 176.69 2d87 h ARG 93 N 4.83 0.50 -1.43 3.23 2.43 -1.83 -3.44 114.38 118.66 2d87 h ARG 93 Ca -0.46 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.79 2d87 h ARG 93 Cb 1.30 -0.11 -0.27 0.00 -0.42 0.00 0.00 29.97 30.47 2d87 h ARG 93 CO 0.80 0.33 0.62 -1.83 -1.51 0.00 0.00 179.97 178.38 2d87 s GLU 94 N -5.53 0.40 -0.02 0.20 1.03 -1.26 -4.98 118.70 108.54 2d87 s GLU 94 Ca -0.09 0.30 -0.30 0.00 0.03 0.00 0.00 54.97 54.91 2d87 s GLU 94 Cb 0.23 0.19 -0.05 0.00 -0.80 0.00 0.00 34.13 33.69 2d87 s GLU 94 CO 0.78 -0.08 1.46 -1.25 -1.33 0.00 0.00 175.26 174.85 2d87 s PRO 95 N -0.33 4.25 0.15 -4.83 0.04 -1.10 -4.99 135.00 128.18 2d87 s PRO 95 Ca 0.03 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2d87 s PRO 95 Cb -0.03 -3.68 -0.07 0.00 0.04 0.00 0.00 34.50 30.76 2d87 s PRO 95 CO -0.06 -0.66 1.15 -0.51 0.04 0.00 0.00 177.00 176.96 2d87 s ASP 96 N 2.24 7.17 0.24 6.66 1.11 -1.26 -4.15 116.67 128.68 2d87 s ASP 96 Ca 0.66 2.10 -0.07 0.00 0.18 0.00 0.00 52.55 55.42 2d87 s ASP 96 Cb -0.32 -2.60 0.42 0.00 1.07 0.00 0.00 42.92 41.50 2d87 s ASP 96 CO 0.26 -0.33 1.64 4.11 1.18 0.00 0.00 175.17 182.04 2d87 h TRP 97 N 5.62 -0.02 -0.84 4.23 5.08 -1.81 0.70 115.95 128.90 2d87 h TRP 97 Ca -0.44 0.05 0.34 0.00 1.08 0.00 0.00 58.89 59.92 2d87 h TRP 97 Cb 1.21 0.13 -0.13 0.00 -3.00 0.00 0.00 29.16 27.37 2d87 h TRP 97 CO 0.64 -0.22 0.47 1.63 -1.28 0.00 0.00 178.44 179.68 2d87 n LYS 98 N -5.32 -0.04 -0.07 0.12 4.76 -1.26 -0.12 118.16 116.22 2d87 n LYS 98 Ca 0.13 1.05 -0.05 0.00 -2.87 0.00 0.00 58.31 56.58 2d87 n LYS 98 Cb 0.46 -1.93 -0.02 0.00 -1.84 0.00 0.00 35.03 31.71 2d87 n LYS 98 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2d87 h VAL 100 N -1.00 0.00 -1.02 0.00 2.07 -0.60 0.47 116.25 116.17 2d87 h VAL 100 Ca -0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.87 2d87 h VAL 100 Cb 0.53 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.15 2d87 h VAL 100 CO -0.00 0.00 0.58 0.22 0.02 0.00 0.00 177.57 178.39 2d87 h TYR 101 N -0.13 0.88 0.63 1.57 5.03 -0.76 0.56 116.97 124.76 2d87 h TYR 101 Ca 0.14 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 2d87 h TYR 101 Cb 0.48 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.53 2d87 h TYR 101 CO -0.92 -0.24 -0.34 1.15 -1.32 0.00 0.00 178.16 176.48 2d87 h THR 102 N 0.24 0.30 0.09 1.81 2.02 -0.21 -2.63 112.91 114.54 2d87 h THR 102 Ca 0.76 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.96 2d87 h THR 102 Cb 1.85 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 2d87 h THR 102 CO -0.63 0.00 -0.50 0.22 0.37 0.00 0.00 175.52 174.98 2d87 h TYR 103 N -0.90 -1.46 -1.20 3.16 3.20 -0.57 0.48 116.97 119.67 2d87 h TYR 103 Ca -0.08 0.04 0.41 0.00 3.14 0.00 0.00 58.73 62.24 2d87 h TYR 103 Cb 0.71 0.63 -0.14 0.00 1.54 0.00 0.00 36.73 39.47 2d87 h TYR 103 CO -0.06 -0.56 0.74 0.82 -1.64 0.00 0.00 178.16 177.46 2d87 h ILE 104 N -0.70 0.13 -0.04 1.81 1.08 -1.41 0.58 117.51 118.96 2d87 h ILE 104 Ca -0.00 -0.04 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 2d87 h ILE 104 Cb 0.71 0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2d87 h ILE 104 CO -0.29 0.02 -0.47 -0.61 -0.69 0.00 0.00 178.15 176.11 2d87 h GLN 105 N 0.11 0.40 0.17 2.37 5.75 -0.73 -2.21 115.11 120.97 2d87 h GLN 105 Ca 0.81 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.95 2d87 h GLN 105 Cb 2.35 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 30.96 2d87 h GLN 105 CO -0.51 1.02 -0.26 1.49 -2.65 0.00 0.00 178.83 177.92 2d87 h GLU 106 N -0.10 -0.49 -0.15 1.69 4.57 0.22 -2.36 114.58 117.96 2d87 h GLU 106 Ca -0.05 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2d87 h GLU 106 Cb 1.15 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2d87 h GLU 106 CO 0.09 -0.32 0.10 0.35 -1.18 0.00 0.00 179.01 178.05 2d87 h PHE 107 N -0.50 0.20 0.00 0.92 3.57 -1.22 -1.58 116.94 118.33 2d87 h PHE 107 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2d87 h PHE 107 Cb 0.50 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2d87 h PHE 107 CO -0.22 0.15 0.41 -0.92 -2.23 0.00 0.00 178.31 175.51 2d87 h TYR 108 N 0.19 0.00 0.00 0.41 5.03 -1.16 0.81 116.97 122.24 2d87 h TYR 108 Ca 0.06 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.18 2d87 h TYR 108 Cb 0.01 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 2d87 h TYR 108 CO -0.06 0.00 -1.09 -0.09 -1.32 0.00 0.00 178.16 175.60 2d87 h ARG 109 N 0.00 0.00 0.20 1.82 2.43 -0.75 -3.26 114.38 114.81 2d87 h ARG 109 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2d87 h ARG 109 Cb 0.82 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2d87 h ARG 109 CO 0.00 0.60 -1.52 0.00 -1.51 0.00 0.00 179.97 177.54 2d87 h LEU 111 N 0.11 -0.62 -0.55 0.00 3.38 -1.38 -0.06 115.31 116.19 2d87 h LEU 111 Ca -0.26 0.05 0.11 0.00 0.09 0.00 0.00 57.88 57.87 2d87 h LEU 111 Cb 2.10 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.94 2d87 h LEU 111 CO 0.22 -0.36 -0.20 0.58 0.09 0.00 0.00 178.44 178.77 2d87 h VAL 112 N -0.55 0.35 -0.64 1.22 2.07 -1.71 0.16 116.25 117.15 2d87 h VAL 112 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2d87 h VAL 112 Cb 0.48 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2d87 h VAL 112 CO -0.01 0.00 0.35 1.56 0.02 0.00 0.00 177.57 179.49 2d87 h GLN 113 N -0.07 0.89 -0.19 1.57 4.20 -1.59 -2.20 115.11 117.73 2d87 h GLN 113 Ca 0.26 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2d87 h GLN 113 Cb 0.47 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2d87 h GLN 113 CO -0.60 0.68 0.05 0.87 -0.67 0.00 0.00 178.83 179.16 2d87 h LYS 114 N 0.87 0.26 0.00 1.46 1.79 0.79 -3.46 116.57 118.28 2d87 h LYS 114 Ca 0.23 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2d87 h LYS 114 Cb 0.04 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2d87 h LYS 114 CO -0.04 0.24 0.00 0.41 -1.08 0.00 0.00 179.45 178.99 2d87 n GLY 115 N -1.31 1.90 0.22 3.86 0.00 0.40 -5.04 105.19 105.22 2d87 n GLY 115 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2d87 n GLY 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d87 n LEU 116 N 0.00 2.23 -4.47 0.99 4.77 -0.76 -4.93 117.00 114.83 2d87 n LEU 116 Ca 0.00 0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.69 2d87 n LEU 116 Cb 0.00 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 40.29 2d87 n LEU 116 CO 0.00 0.64 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.78 2d87 s VAL 117 N -2.41 4.60 0.09 4.08 1.01 -1.25 -4.97 120.40 121.56 2d87 s VAL 117 Ca -0.29 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 2d87 s VAL 117 Cb 0.10 -3.22 -0.15 0.00 0.00 0.00 0.00 36.38 33.10 2d87 s VAL 117 CO 0.43 0.23 0.61 1.17 0.00 0.00 0.00 175.10 177.55 2d87 n LYS 118 N 4.97 0.00 -2.34 2.72 0.00 -1.26 -4.20 118.16 118.05 2d87 n LYS 118 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.75 2d87 n LYS 118 Cb 0.51 -0.98 -0.03 0.00 0.00 0.00 0.00 35.03 34.53 2d87 n LYS 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2d87 s THR 119 N -0.44 3.27 -0.19 3.15 2.01 -1.26 -4.95 115.64 117.23 2d87 s THR 119 Ca 0.61 1.22 -0.04 0.00 0.31 0.00 0.00 61.69 63.79 2d87 s THR 119 Cb -0.86 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 2d87 s THR 119 CO 0.45 0.27 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.87 2d87 s LYS 120 N -1.25 3.55 -0.05 4.92 2.20 -1.26 -5.06 119.74 122.78 2d87 s LYS 120 Ca 0.48 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 55.22 2d87 s LYS 120 Cb -0.34 -2.99 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 2d87 s LYS 120 CO 0.43 0.03 2.01 1.17 -0.36 0.00 0.00 175.35 178.63 2d87 n LYS 121 N 4.16 2.47 -3.48 4.03 0.00 -1.26 -4.93 118.16 119.16 2d87 n LYS 121 Ca -0.17 0.87 -0.10 0.00 0.00 0.00 0.00 58.31 58.91 2d87 n LYS 121 Cb 0.52 -2.94 -0.02 0.00 0.00 0.00 0.00 35.03 32.58 2d87 n LYS 121 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2d87 s SER 122 N 5.18 -0.44 0.21 3.14 0.01 -1.26 -5.14 113.70 115.40 2d87 s SER 122 Ca 0.93 0.02 -0.32 0.00 1.31 0.00 0.00 55.95 57.89 2d87 s SER 122 Cb -0.50 0.46 -0.14 0.00 0.21 0.00 0.00 66.02 66.05 2d87 s SER 122 CO 0.44 -0.73 1.29 -0.24 0.41 0.00 0.00 173.24 174.41 2d87 n SER 123 N -0.25 2.09 0.00 2.44 2.88 -1.26 -4.81 113.62 114.72 2d87 n SER 123 Ca -0.12 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2d87 n SER 123 Cb 0.63 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2d87 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d87 n GLY 124 N 2.08 -0.61 3.63 0.46 0.00 -1.26 -5.16 105.19 104.34 2d87 n GLY 124 Ca 0.13 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2d87 n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d87 s PRO 125 N -1.44 -0.45 -0.09 1.61 0.04 -1.26 -5.02 135.00 128.39 2d87 s PRO 125 Ca 0.00 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.27 2d87 s PRO 125 Cb 0.00 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 2d87 s PRO 125 CO 0.00 -3.25 -0.04 -1.13 0.04 0.00 0.00 177.00 172.61 2d87 n SER 126 N -4.49 3.25 -4.19 6.66 3.41 -1.26 -5.07 113.62 111.93 2d87 n SER 126 Ca 0.09 -0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 2d87 n SER 126 Cb 0.58 0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.60 2d87 n SER 126 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d87 s SER 127 N -4.53 1.08 0.00 4.04 0.15 -1.26 -5.29 113.70 107.90 2d87 s SER 127 Ca -0.09 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2d87 s SER 127 Cb 0.03 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2d87 s SER 127 CO 0.25 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.76