#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d87 h SER 2 N 0.00 0.62 -3.26 1.61 0.87 -2.05 -3.43 113.55 107.90 2d87 h SER 2 Ca 0.00 -0.74 -0.58 0.00 -1.23 0.00 0.00 61.79 59.24 2d87 h SER 2 Cb 0.00 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.72 2d87 h SER 2 CO 0.00 1.27 -0.07 -0.55 -0.53 0.00 0.00 176.83 176.95 2d87 s SER 3 N -6.84 6.90 0.98 6.23 0.15 -1.26 -4.86 113.70 115.01 2d87 s SER 3 Ca -0.12 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2d87 s SER 3 Cb 0.04 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2d87 s SER 3 CO 0.84 0.13 0.00 0.61 1.20 0.00 0.00 173.24 176.03 2d87 n GLY 4 N 2.43 0.83 3.64 9.45 0.00 -1.26 -4.71 105.19 115.58 2d87 n GLY 4 Ca -0.08 0.61 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2d87 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d87 s SER 5 N -4.00 -0.25 0.51 1.61 1.04 -1.26 -4.84 113.70 106.51 2d87 s SER 5 Ca 0.00 -0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 2d87 s SER 5 Cb 0.00 0.44 -0.07 0.00 0.10 0.00 0.00 66.02 66.48 2d87 s SER 5 CO 0.00 -0.77 1.08 -0.94 0.98 0.00 0.00 173.24 173.59 2d87 s SER 6 N -2.75 6.07 0.00 7.02 1.04 -1.26 -4.41 113.70 119.41 2d87 s SER 6 Ca 0.09 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2d87 s SER 6 Cb -0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2d87 s SER 6 CO -0.03 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2d87 n GLY 7 N -0.06 0.18 0.02 7.32 0.00 -1.26 -4.83 105.19 106.57 2d87 n GLY 7 Ca 0.10 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 43.89 2d87 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d87 n ILE 8 N -0.46 0.23 0.19 -0.61 2.08 -1.26 -4.22 119.36 115.31 2d87 n ILE 8 Ca 0.00 -0.51 0.15 0.00 0.56 0.00 0.00 62.75 62.95 2d87 n ILE 8 Cb 0.00 -0.05 0.76 0.00 -0.75 0.00 0.00 39.64 39.60 2d87 n ILE 8 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2d87 h LYS 9 N 0.00 0.00 0.00 0.38 3.64 -1.95 -2.44 116.57 116.20 2d87 h LYS 9 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2d87 h LYS 9 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2d87 h LYS 9 CO 0.00 0.00 -0.08 0.37 -2.27 0.00 0.00 179.45 177.47 2d87 h GLN 10 N 0.00 0.00 -0.91 1.90 5.75 -1.86 -3.33 115.11 116.66 2d87 h GLN 10 Ca 0.08 0.00 0.34 0.00 -0.15 0.00 0.00 58.65 58.92 2d87 h GLN 10 Cb 0.38 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.81 2d87 h GLN 10 CO -0.00 0.00 0.55 0.00 -2.65 0.00 0.00 178.83 176.73 2d87 n MET 11 N -2.88 -0.04 -0.03 1.69 0.00 -1.21 0.21 117.12 114.87 2d87 n MET 11 Ca -0.01 0.99 -0.11 0.00 0.00 0.00 0.00 57.70 58.57 2d87 n MET 11 Cb 0.04 -1.86 -0.05 0.00 0.00 0.00 0.00 33.22 31.35 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 0.19 -0.94 3.17 3.38 -1.60 0.83 115.31 120.34 2d87 h LEU 12 Ca 0.65 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.46 2d87 h LEU 12 Cb 1.94 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2d87 h LEU 12 CO -0.45 0.22 -0.02 0.25 0.09 0.00 0.00 178.44 178.52 2d87 h LEU 13 N 0.14 0.72 -0.19 1.67 5.85 0.24 0.10 115.31 123.85 2d87 h LEU 13 Ca 0.05 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2d87 h LEU 13 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2d87 h LEU 13 CO -0.01 0.80 -0.51 -0.78 -0.34 0.00 0.00 178.44 177.61 2d87 h ASP 14 N 0.70 0.00 0.00 1.25 3.58 -0.98 -3.21 116.42 117.75 2d87 h ASP 14 Ca 0.13 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2d87 h ASP 14 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2d87 h ASP 14 CO 0.02 0.51 -0.00 -0.25 -2.88 0.00 0.00 179.24 176.64 2d87 h TRP 15 N 0.00 -0.00 -0.65 0.28 7.01 0.11 -3.31 115.95 119.39 2d87 h TRP 15 Ca -0.01 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.13 2d87 h TRP 15 Cb 1.32 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 28.26 2d87 h TRP 15 CO 0.00 0.74 -0.08 0.00 -2.79 0.00 0.00 178.44 176.31 2d87 h ARG 17 N 0.05 -0.46 -0.86 0.00 3.08 -1.69 0.53 114.38 115.03 2d87 h ARG 17 Ca 0.33 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.61 2d87 h ARG 17 Cb 0.53 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.56 2d87 h ARG 17 CO -0.61 -0.31 0.34 0.00 -1.07 0.00 0.00 179.97 178.31 2d87 h ALA 18 N -0.08 1.30 0.00 0.04 0.00 -1.42 1.71 119.26 120.80 2d87 h ALA 18 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2d87 h ALA 18 Cb 0.64 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2d87 h ALA 18 CO -0.51 -0.33 0.00 0.87 0.00 0.00 0.00 179.25 179.28 2d87 h LYS 19 N 0.37 0.00 0.00 0.00 1.79 -0.61 -3.13 116.57 115.00 2d87 h LYS 19 Ca 0.52 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.97 2d87 h LYS 19 Cb 0.95 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.56 2d87 h LYS 19 CO -0.52 0.00 -0.53 2.41 -1.08 0.00 0.00 179.45 179.73 2d87 n THR 20 N -2.87 1.94 -3.18 -0.16 -1.04 0.29 -4.69 114.28 104.56 2d87 n THR 20 Ca 0.03 -2.93 -0.40 0.00 -2.04 0.00 0.00 64.05 58.71 2d87 n THR 20 Cb 0.38 -0.10 -0.07 0.00 -1.82 0.00 0.00 70.33 68.73 2d87 n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d87 s ARG 21 N -2.85 4.16 0.00 -2.82 1.70 0.51 -4.11 118.95 115.54 2d87 s ARG 21 Ca 0.37 0.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.11 2d87 s ARG 21 Cb 0.36 -3.60 0.00 0.00 -0.57 0.00 0.00 34.95 31.15 2d87 s ARG 21 CO -0.07 -0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 2d87 n GLY 22 N 3.99 3.15 3.67 3.88 0.00 -1.26 -5.02 105.19 113.60 2d87 n GLY 22 Ca -0.03 -1.12 -0.51 0.00 0.00 0.00 0.00 46.02 44.36 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 2.10 -2.38 1.61 4.02 -1.26 -4.92 117.16 116.33 2d87 n TYR 23 Ca 0.00 0.32 -0.35 0.00 -0.01 0.00 0.00 57.90 57.85 2d87 n TYR 23 Cb 0.00 -2.52 -0.02 0.00 -0.02 0.00 0.00 39.34 36.78 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 2.71 3.68 -0.95 -0.72 2.56 -1.26 -3.59 118.70 121.13 2d87 s GLU 24 Ca 0.90 1.56 -0.06 0.00 0.00 0.00 0.00 54.97 57.37 2d87 s GLU 24 Cb -0.85 -2.18 0.01 0.00 2.00 0.00 0.00 34.13 33.10 2d87 s GLU 24 CO 0.52 -0.57 0.83 0.72 -0.56 0.00 0.00 175.26 176.20 2d87 n HIS 25 N -0.87 -2.01 -3.75 5.30 8.25 -1.26 -5.02 115.22 115.86 2d87 n HIS 25 Ca 0.09 0.71 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 2d87 n HIS 25 Cb 0.51 -3.87 -0.08 0.00 1.12 0.00 0.00 29.99 27.67 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 -3.23 0.06 -0.30 1.59 1.01 -1.24 -4.82 120.40 113.48 2d87 s VAL 26 Ca 0.39 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2d87 s VAL 26 Cb -0.17 -0.66 0.18 0.00 0.00 0.00 0.00 36.38 35.73 2d87 s VAL 26 CO 0.51 -0.25 1.01 1.51 0.00 0.00 0.00 175.10 177.88 2d87 s ASP 27 N -1.37 -0.54 -0.86 3.32 -4.77 -1.26 -4.97 116.67 106.21 2d87 s ASP 27 Ca -0.13 0.49 -0.17 0.00 -3.30 0.00 0.00 52.55 49.44 2d87 s ASP 27 Cb -0.05 1.51 0.16 0.00 -1.09 0.00 0.00 42.92 43.45 2d87 s ASP 27 CO 0.04 -0.10 0.96 -0.63 0.70 0.00 0.00 175.17 176.14 2d87 s ILE 28 N 2.71 5.04 -0.19 2.11 1.01 -1.26 -4.80 121.20 125.83 2d87 s ILE 28 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 60.65 58.82 2d87 s ILE 28 Cb -0.08 -4.64 -0.22 0.00 0.01 0.00 0.00 42.46 37.52 2d87 s ILE 28 CO -0.14 -1.31 0.08 0.00 0.00 0.00 0.00 174.94 173.57 2d87 n GLN 29 N 5.65 0.71 -3.84 2.79 6.02 -1.26 -4.91 117.38 122.54 2d87 n GLN 29 Ca 0.17 0.20 -0.07 0.00 -0.01 0.00 0.00 57.00 57.29 2d87 n GLN 29 Cb 0.48 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 2d87 n GLN 29 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2d87 s ASN 30 N -6.75 -0.17 -0.61 1.08 6.03 -1.26 -5.05 114.94 108.21 2d87 s ASN 30 Ca -0.28 -0.77 -0.02 0.00 -1.03 0.00 0.00 52.86 50.77 2d87 s ASN 30 Cb 0.08 0.76 0.33 0.00 -3.03 0.00 0.00 41.25 39.38 2d87 s ASN 30 CO 0.69 -1.43 2.13 0.49 -2.03 0.00 0.00 177.10 176.94 2d87 n PHE 31 N -0.48 2.62 0.00 1.54 3.72 -1.26 -3.90 117.46 119.69 2d87 n PHE 31 Ca -0.05 -2.51 -0.01 0.00 -0.05 0.00 0.00 57.45 54.82 2d87 n PHE 31 Cb 0.59 -1.28 -0.00 0.00 -0.94 0.00 0.00 39.48 37.85 2d87 n PHE 31 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2d87 n SER 32 N -0.34 0.43 -2.22 4.37 7.64 -1.26 -3.00 113.62 119.24 2d87 n SER 32 Ca 0.52 0.06 -0.07 0.00 1.01 0.00 0.00 58.87 60.40 2d87 n SER 32 Cb 0.53 -0.23 0.05 0.00 -1.01 0.00 0.00 64.21 63.55 2d87 n SER 32 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d87 n SER 33 N -2.91 2.61 -0.09 6.43 3.41 -1.26 -3.36 113.62 118.45 2d87 n SER 33 Ca -0.01 -2.74 -0.13 0.00 -0.26 0.00 0.00 58.87 55.72 2d87 n SER 33 Cb 0.04 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.43 2d87 n SER 33 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d87 n SER 34 N -0.55 0.90 -0.01 4.04 2.88 -1.25 -4.45 113.62 115.18 2d87 n SER 34 Ca 0.20 0.02 0.03 0.00 -1.33 0.00 0.00 58.87 57.79 2d87 n SER 34 Cb 0.89 0.28 -0.13 0.00 -0.75 0.00 0.00 64.21 64.50 2d87 n SER 34 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2d87 n TRP 35 N -3.01 0.37 -0.39 0.66 7.02 -1.26 -4.34 117.44 116.49 2d87 n TRP 35 Ca -0.35 0.12 0.34 0.00 -1.02 0.00 0.00 57.50 56.59 2d87 n TRP 35 Cb 1.08 -0.84 0.59 0.00 -2.42 0.00 0.00 31.31 29.72 2d87 n TRP 35 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2d87 n SER 36 N -2.60 0.22 0.25 -0.99 3.41 -1.26 -0.17 113.62 112.48 2d87 n SER 36 Ca -0.13 1.30 -0.14 0.00 -0.26 0.00 0.00 58.87 59.65 2d87 n SER 36 Cb 0.79 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 2d87 n SER 36 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2d87 h ASP 37 N 0.00 -0.97 0.00 4.04 3.58 -1.85 -3.49 116.42 117.74 2d87 h ASP 37 Ca 0.78 0.07 0.00 0.00 0.42 0.00 0.00 57.03 58.30 2d87 h ASP 37 Cb 2.40 0.31 0.00 0.00 1.72 0.00 0.00 39.33 43.76 2d87 h ASP 37 CO -0.49 -0.51 0.00 0.61 -2.88 0.00 0.00 179.24 175.98 2d87 n GLY 38 N -1.42 2.86 0.32 -0.78 0.00 0.76 -4.70 105.19 102.23 2d87 n GLY 38 Ca -0.09 -0.52 0.21 0.00 0.00 0.00 0.00 46.02 45.61 2d87 n GLY 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2d87 h MET 39 N 0.00 0.15 -0.17 1.61 2.86 -1.86 -2.07 114.93 115.45 2d87 h MET 39 Ca 0.00 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2d87 h MET 39 Cb 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2d87 h MET 39 CO 0.00 0.10 -0.10 0.00 1.06 0.00 0.00 176.91 177.97 2d87 n ALA 40 N -2.56 -0.11 -0.06 6.32 0.00 -1.26 -0.28 120.51 122.57 2d87 n ALA 40 Ca 0.29 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 2d87 n ALA 40 Cb 0.93 0.26 -0.02 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 -0.77 -0.49 0.00 0.04 -1.69 -1.19 116.94 112.86 2d87 h PHE 41 Ca 0.03 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.92 2d87 h PHE 41 Cb 0.07 0.38 -0.10 0.00 2.20 0.00 0.00 35.95 38.50 2d87 h PHE 41 CO -0.71 -0.36 -0.45 0.00 -0.60 0.00 0.00 178.31 176.19 2d87 h ALA 43 N 0.45 0.70 -0.56 0.00 0.00 -0.07 0.21 119.26 119.98 2d87 h ALA 43 Ca 0.15 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2d87 h ALA 43 Cb 0.58 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2d87 h ALA 43 CO -0.63 -0.23 0.18 1.25 0.00 0.00 0.00 179.25 179.82 2d87 h LEU 44 N 0.35 0.14 0.47 0.00 5.85 0.15 -1.96 115.31 120.31 2d87 h LEU 44 Ca 0.29 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 2d87 h LEU 44 Cb 0.36 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2d87 h LEU 44 CO -0.31 0.09 -0.23 0.58 -0.34 0.00 0.00 178.44 178.24 2d87 h VAL 45 N 0.34 0.04 -0.86 1.05 2.07 -0.24 -3.24 116.25 115.41 2d87 h VAL 45 Ca 0.28 -0.54 0.32 0.00 0.82 0.00 0.00 66.70 67.58 2d87 h VAL 45 Cb 0.36 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 30.04 2d87 h VAL 45 CO -0.31 0.01 0.31 1.57 0.02 0.00 0.00 177.57 179.16 2d87 n HIS 46 N -5.20 0.84 -0.23 1.57 -0.00 0.65 0.17 115.22 113.03 2d87 n HIS 46 Ca -0.08 1.02 0.02 0.00 -0.00 0.00 0.00 57.72 58.68 2d87 n HIS 46 Cb 0.26 -1.33 0.14 0.00 -0.00 0.00 0.00 29.99 29.06 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 0.27 0.05 0.26 -1.24 -1.38 0.44 115.58 113.97 2d87 h ASN 47 Ca 0.66 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.75 2d87 h ASN 47 Cb 1.63 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.74 2d87 h ASN 47 CO -0.72 0.14 -0.02 -0.26 -1.29 0.00 0.00 177.43 175.28 2d87 h PHE 48 N 0.44 -0.06 -3.09 0.67 0.04 0.17 -3.40 116.94 111.71 2d87 h PHE 48 Ca 0.35 -0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.50 2d87 h PHE 48 Cb 0.46 0.02 -0.41 0.00 2.20 0.00 0.00 35.95 38.22 2d87 h PHE 48 CO -0.16 0.54 -0.68 -0.06 -0.60 0.00 0.00 178.31 177.34 2d87 s PHE 49 N -3.44 2.67 0.09 -0.55 0.40 -0.52 -4.96 117.98 111.68 2d87 s PHE 49 Ca -0.15 -2.87 -0.15 0.00 -0.60 0.00 0.00 56.93 53.15 2d87 s PHE 49 Cb 0.00 -2.30 -0.09 0.00 0.51 0.00 0.00 43.02 41.14 2d87 s PHE 49 CO 0.61 -0.72 1.41 -1.00 0.70 0.00 0.00 175.22 176.23 2d87 h PRO 50 N 6.25 0.67 -0.15 0.24 0.13 -1.15 -3.15 132.00 134.84 2d87 h PRO 50 Ca 0.03 -0.35 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 2d87 h PRO 50 Cb 0.87 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2d87 h PRO 50 CO 0.60 0.96 -0.31 1.05 -0.23 0.00 0.00 178.00 180.06 2d87 h GLU 51 N 0.40 0.29 -1.01 0.86 4.11 -1.93 -2.99 114.58 114.31 2d87 h GLU 51 Ca 0.04 -0.11 0.29 0.00 0.07 0.00 0.00 59.36 59.65 2d87 h GLU 51 Cb 0.83 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.93 2d87 h GLU 51 CO 0.07 0.58 0.59 0.00 0.07 0.00 0.00 179.01 180.32 2d87 h ALA 52 N 1.42 1.94 -1.78 1.06 0.00 -1.93 -3.42 119.26 116.54 2d87 h ALA 52 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2d87 h ALA 52 Cb 0.68 0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.34 2d87 h ALA 52 CO 0.05 -0.49 0.32 -0.59 0.00 0.00 0.00 179.25 178.54 2d87 s PHE 53 N -5.68 -0.59 -0.06 0.00 -0.71 -1.13 -5.08 117.98 104.72 2d87 s PHE 53 Ca -0.10 1.34 -0.30 0.00 -1.04 0.00 0.00 56.93 56.83 2d87 s PHE 53 Cb 0.29 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 2d87 s PHE 53 CO 0.79 -0.35 1.31 -0.51 -1.34 0.00 0.00 175.22 175.12 2d87 s ASP 54 N -0.11 6.94 -0.06 1.98 1.01 -1.26 -4.76 116.67 120.41 2d87 s ASP 54 Ca -0.01 1.91 -0.12 0.00 0.71 0.00 0.00 52.55 55.04 2d87 s ASP 54 Cb -0.04 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 2d87 s ASP 54 CO -0.00 -0.69 0.49 0.22 0.21 0.00 0.00 175.17 175.40 2d87 h TYR 55 N 7.87 -0.31 -1.09 4.23 3.20 -1.97 -3.26 116.97 125.64 2d87 h TYR 55 Ca -0.34 -0.01 0.32 0.00 3.14 0.00 0.00 58.73 61.84 2d87 h TYR 55 Cb 1.15 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 2d87 h TYR 55 CO 0.76 -0.11 0.89 0.78 -1.64 0.00 0.00 178.16 178.84 2d87 h GLY 56 N -1.06 0.00 1.36 1.82 0.00 -2.00 0.50 103.07 103.69 2d87 h GLY 56 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2d87 h GLY 56 CO 0.06 0.00 0.32 1.46 0.00 0.00 0.00 176.54 178.37 2d87 h GLN 57 N 0.00 0.83 -7.30 4.80 1.08 -1.97 -3.43 115.11 109.12 2d87 h GLN 57 Ca 0.52 -0.09 -0.51 0.00 -1.45 0.00 0.00 58.65 57.11 2d87 h GLN 57 Cb 2.29 -0.17 0.16 0.00 -0.05 0.00 0.00 27.48 29.71 2d87 h GLN 57 CO -0.01 0.63 0.28 -0.51 -0.95 0.00 0.00 178.83 178.27 2d87 s LEU 58 N -9.59 2.91 0.11 1.46 1.43 0.18 -5.06 118.68 110.12 2d87 s LEU 58 Ca -0.10 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.00 2d87 s LEU 58 Cb 0.17 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 2d87 s LEU 58 CO 0.78 -2.48 -0.14 -0.44 0.23 0.00 0.00 176.35 174.30 2d87 s SER 59 N -3.12 1.95 0.06 2.29 0.01 -1.26 -5.05 113.70 108.57 2d87 s SER 59 Ca 0.63 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 2d87 s SER 59 Cb -0.19 -0.07 -0.12 0.00 0.21 0.00 0.00 66.02 65.85 2d87 s SER 59 CO 0.57 -0.13 1.37 1.55 0.41 0.00 0.00 173.24 177.01 2d87 h PRO 60 N 3.67 0.48 -0.05 12.44 0.13 -1.98 -3.00 132.00 143.69 2d87 h PRO 60 Ca -0.40 -0.26 0.02 0.00 -0.87 0.00 0.00 66.00 64.49 2d87 h PRO 60 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2d87 h PRO 60 CO 0.49 0.83 0.57 1.96 -0.23 0.00 0.00 178.00 181.61 2d87 h GLN 61 N 0.16 0.00 -6.01 0.86 1.08 -1.97 -3.37 115.11 105.85 2d87 h GLN 61 Ca 0.03 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.64 2d87 h GLN 61 Cb 0.74 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.08 2d87 h GLN 61 CO 0.05 0.00 0.55 -0.80 -0.95 0.00 0.00 178.83 177.68 2d87 s ASN 62 N -4.01 6.66 -0.17 1.46 0.01 -1.13 -4.91 114.94 112.84 2d87 s ASN 62 Ca -0.02 0.54 -0.16 0.00 -0.71 0.00 0.00 52.86 52.50 2d87 s ASN 62 Cb 0.07 -2.45 -0.22 0.00 0.41 0.00 0.00 41.25 39.05 2d87 s ASN 62 CO 0.21 -0.82 0.31 0.03 -1.51 0.00 0.00 177.10 175.32 2d87 h ARG 63 N 8.46 0.11 0.20 -0.60 -0.00 -1.84 -3.33 114.38 117.38 2d87 h ARG 63 Ca -0.23 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.98 59.04 2d87 h ARG 63 Cb 1.08 0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.13 2d87 h ARG 63 CO 0.96 1.09 -0.10 0.00 0.00 0.00 0.00 179.97 181.93 2d87 h ARG 64 N -0.58 -0.26 -0.89 0.04 3.08 -1.91 -3.25 114.38 110.61 2d87 h ARG 64 Ca -0.36 0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.85 2d87 h ARG 64 Cb 1.59 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.55 2d87 h ARG 64 CO -0.08 -0.17 -0.34 0.94 -1.07 0.00 0.00 179.97 179.25 2d87 n GLN 65 N -3.95 -0.20 -0.23 0.04 7.27 -1.26 0.66 117.38 119.71 2d87 n GLN 65 Ca -0.03 1.38 0.01 0.00 0.07 0.00 0.00 57.00 58.42 2d87 n GLN 65 Cb 0.11 -2.05 0.08 0.00 2.41 0.00 0.00 30.24 30.79 2d87 n GLN 65 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2d87 h ASN 66 N 0.00 -0.60 0.43 1.69 2.35 -1.69 0.49 115.58 118.25 2d87 h ASN 66 Ca 0.32 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 56.25 2d87 h ASN 66 Cb 0.54 0.41 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2d87 h ASN 66 CO -0.89 -0.22 -0.20 -0.26 -1.65 0.00 0.00 177.43 174.21 2d87 h PHE 67 N 0.01 -0.53 -0.02 1.19 -1.00 0.20 -2.91 116.94 113.88 2d87 h PHE 67 Ca 0.33 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2d87 h PHE 67 Cb 0.51 0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 2d87 h PHE 67 CO -0.53 -0.30 -0.09 0.93 -1.61 0.00 0.00 178.31 176.71 2d87 h GLU 68 N -1.13 -0.09 -0.98 1.51 4.39 -0.15 -0.61 114.58 117.51 2d87 h GLU 68 Ca -0.06 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.86 2d87 h GLU 68 Cb 0.47 0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 28.95 2d87 h GLU 68 CO 0.10 -0.06 -0.19 0.28 -1.16 0.00 0.00 179.01 177.97 2d87 n VAL 69 N -3.03 -0.41 -0.12 3.13 0.31 0.17 0.60 118.33 118.97 2d87 n VAL 69 Ca -0.01 2.24 -0.05 0.00 -0.01 0.00 0.00 64.34 66.51 2d87 n VAL 69 Cb 0.06 -3.13 0.03 0.00 -0.91 0.00 0.00 33.84 29.89 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 1.97 0.45 0.34 3.52 0.00 -1.16 0.46 119.26 124.84 2d87 h ALA 70 Ca 0.50 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2d87 h ALA 70 Cb 0.82 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2d87 h ALA 70 CO -1.00 -0.29 -0.16 0.74 0.00 0.00 0.00 179.25 178.55 2d87 h PHE 71 N 0.25 -0.42 -0.24 0.00 0.04 0.17 -2.96 116.94 113.79 2d87 h PHE 71 Ca 0.19 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.01 2d87 h PHE 71 Cb 0.20 0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.42 2d87 h PHE 71 CO -0.17 -0.26 -0.36 0.77 -0.60 0.00 0.00 178.31 177.69 2d87 h SER 72 N -0.62 -1.15 -0.96 2.17 0.02 -0.70 -1.17 113.55 111.15 2d87 h SER 72 Ca -0.05 0.17 0.23 0.00 -0.84 0.00 0.00 61.79 61.30 2d87 h SER 72 Cb 0.35 0.50 -0.18 0.00 0.14 0.00 0.00 62.40 63.20 2d87 h SER 72 CO 0.08 -0.37 -0.11 0.28 -1.14 0.00 0.00 176.83 175.57 2d87 h SER 73 N -0.37 -0.68 0.34 3.07 0.02 -0.17 0.15 113.55 115.90 2d87 h SER 73 Ca 0.12 0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 2d87 h SER 73 Cb 0.57 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2d87 h SER 73 CO -0.44 -0.33 -0.16 0.00 -1.14 0.00 0.00 176.83 174.76 2d87 h ALA 74 N 1.96 -0.45 -1.57 3.77 0.00 -1.06 -2.52 119.26 119.39 2d87 h ALA 74 Ca 0.52 -0.12 0.47 0.00 0.00 0.00 0.00 54.91 55.78 2d87 h ALA 74 Cb 0.94 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2d87 h ALA 74 CO -0.94 -0.72 1.09 1.49 0.00 0.00 0.00 179.25 180.17 2d87 h GLU 75 N -0.52 0.04 0.00 0.00 4.22 -0.05 0.40 114.58 118.67 2d87 h GLU 75 Ca -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2d87 h GLU 75 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2d87 h GLU 75 CO 0.08 0.03 0.00 2.41 -2.18 0.00 0.00 179.01 179.34 2d87 n THR 76 N -4.29 0.00 0.22 0.32 -1.04 -0.93 -0.44 114.28 108.12 2d87 n THR 76 Ca 0.38 1.12 0.04 0.00 -2.04 0.00 0.00 64.05 63.56 2d87 n THR 76 Cb 1.64 -1.51 -0.06 0.00 -1.82 0.00 0.00 70.33 68.57 2d87 n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d87 n HIS 77 N -2.55 0.00 0.00 -1.42 1.44 -0.93 -4.56 115.22 107.20 2d87 n HIS 77 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 2d87 n HIS 77 Cb 0.00 -0.10 -0.14 0.00 0.12 0.00 0.00 29.99 29.87 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 1.08 0.61 -6.37 1.59 0.00 -0.23 -3.49 119.26 112.46 2d87 h ALA 78 Ca 0.00 -1.35 -0.47 0.00 0.00 0.00 0.00 54.91 53.09 2d87 h ALA 78 Cb 0.32 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2d87 h ALA 78 CO 0.00 1.45 -0.90 -3.47 0.00 0.00 0.00 179.25 176.34 2d87 n ASP 79 N -3.20 -1.94 -4.77 0.00 -0.08 0.41 -4.85 116.55 102.13 2d87 n ASP 79 Ca -0.17 -0.99 -0.39 0.00 -1.51 0.00 0.00 54.79 51.73 2d87 n ASP 79 Cb 1.04 -3.27 -0.06 0.00 2.34 0.00 0.00 41.12 41.18 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 -0.38 2.91 -0.48 0.00 0.04 -1.26 -4.73 135.00 131.11 2d87 s PRO 81 Ca 0.33 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 2d87 s PRO 81 Cb -0.20 -4.30 -0.09 0.00 0.04 0.00 0.00 34.50 29.95 2d87 s PRO 81 CO 0.20 -2.38 2.38 1.04 0.04 0.00 0.00 177.00 178.28 2d87 n GLN 82 N 8.87 1.09 -0.06 4.56 3.00 -1.26 -4.81 117.38 128.77 2d87 n GLN 82 Ca 0.21 0.15 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 2d87 n GLN 82 Cb 0.50 -2.99 -0.01 0.00 0.00 0.00 0.00 30.24 27.74 2d87 n GLN 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2d87 h LEU 83 N 16.55 0.00 -9.58 1.08 3.38 -1.99 -3.47 115.31 121.28 2d87 h LEU 83 Ca -0.25 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.13 2d87 h LEU 83 Cb 1.28 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.17 2d87 h LEU 83 CO 1.13 0.59 0.01 0.18 0.09 0.00 0.00 178.44 180.44 2d87 n LEU 84 N -4.18 2.04 -4.31 1.67 4.77 -1.26 -4.92 117.00 110.81 2d87 n LEU 84 Ca -0.05 0.97 -0.45 0.00 -0.03 0.00 0.00 56.01 56.45 2d87 n LEU 84 Cb 0.19 -1.29 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 2d87 n LEU 84 CO 0.08 -1.90 0.55 -1.81 -1.33 0.00 0.00 177.39 172.98 2d87 s ASP 85 N -0.85 6.89 0.25 -1.43 1.01 -1.26 -4.92 116.67 116.36 2d87 s ASP 85 Ca 0.65 -3.10 -0.01 0.00 0.71 0.00 0.00 52.55 50.79 2d87 s ASP 85 Cb -0.55 -2.18 0.56 0.00 1.01 0.00 0.00 42.92 41.75 2d87 s ASP 85 CO 0.56 -0.43 1.29 0.41 0.21 0.00 0.00 175.17 177.21 2d87 n THR 86 N 3.37 -0.35 -0.22 -1.27 -1.04 -1.26 0.17 114.28 113.68 2d87 n THR 86 Ca 0.18 1.84 0.02 0.00 -2.04 0.00 0.00 64.05 64.05 2d87 n THR 86 Cb 0.43 -2.64 0.14 0.00 -1.82 0.00 0.00 70.33 66.44 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 0.37 0.02 -2.82 5.08 -2.00 0.03 114.58 115.26 2d87 h GLU 87 Ca 0.47 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.59 2d87 h GLU 87 Cb 0.91 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2d87 h GLU 87 CO -0.80 0.25 -0.94 0.22 -1.00 0.00 0.00 179.01 176.74 2d87 h ASP 88 N 0.38 0.33 -0.77 1.42 3.58 0.13 -3.26 116.42 118.23 2d87 h ASP 88 Ca 0.35 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.53 2d87 h ASP 88 Cb 0.49 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2d87 h ASP 88 CO -0.37 1.10 0.50 0.24 -2.88 0.00 0.00 179.24 177.84 2d87 h MET 89 N 0.13 0.99 0.19 0.28 2.86 0.79 0.55 114.93 120.71 2d87 h MET 89 Ca -0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2d87 h MET 89 Cb 1.59 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2d87 h MET 89 CO 0.15 0.65 -0.11 0.28 1.06 0.00 0.00 176.91 178.95 2d87 h VAL 90 N 1.02 0.00 -0.77 -2.22 2.07 -1.09 -3.11 116.25 112.15 2d87 h VAL 90 Ca 0.29 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.95 2d87 h VAL 90 Cb -0.09 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.59 2d87 h VAL 90 CO -0.07 0.00 0.33 0.08 0.02 0.00 0.00 177.57 177.93 2d87 h ARG 91 N -0.27 0.48 -6.27 1.57 0.11 -1.60 -3.40 114.38 104.99 2d87 h ARG 91 Ca -0.03 -0.03 -0.54 0.00 0.10 0.00 0.00 59.98 59.48 2d87 h ARG 91 Cb 0.21 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.20 2d87 h ARG 91 CO 0.03 0.32 1.28 -0.51 0.10 0.00 0.00 179.97 181.19 2d87 s LEU 92 N -10.42 4.21 0.32 0.08 1.43 0.18 -4.85 118.68 109.65 2d87 s LEU 92 Ca -0.12 2.47 0.10 0.00 -1.03 0.00 0.00 54.13 55.55 2d87 s LEU 92 Cb 0.20 -3.53 0.97 0.00 0.03 0.00 0.00 46.19 43.87 2d87 s LEU 92 CO 0.77 -1.24 1.65 -0.09 0.23 0.00 0.00 176.35 177.66 2d87 h ARG 93 N 11.49 0.24 -2.86 1.70 2.43 -1.81 -3.41 114.38 122.16 2d87 h ARG 93 Ca -0.47 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 2d87 h ARG 93 Cb 1.23 -0.05 -0.23 0.00 -0.42 0.00 0.00 29.97 30.50 2d87 h ARG 93 CO 0.95 0.16 -0.25 -1.21 -1.51 0.00 0.00 179.97 178.10 2d87 s GLU 94 N -5.76 0.55 0.75 0.20 2.02 -1.26 -4.98 118.70 110.22 2d87 s GLU 94 Ca -0.11 0.26 -0.12 0.00 0.02 0.00 0.00 54.97 55.02 2d87 s GLU 94 Cb 0.29 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.82 2d87 s GLU 94 CO 0.78 -0.11 1.10 -1.25 0.02 0.00 0.00 175.26 175.80 2d87 s PRO 95 N -0.41 2.38 -0.37 0.39 0.04 -1.21 -5.00 135.00 130.81 2d87 s PRO 95 Ca -0.05 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 2d87 s PRO 95 Cb -0.03 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2d87 s PRO 95 CO 0.02 -1.56 0.51 -0.51 0.04 0.00 0.00 177.00 175.51 2d87 s ASP 96 N -3.18 6.29 0.40 6.66 1.01 -1.26 -4.69 116.67 121.90 2d87 s ASP 96 Ca 0.63 -0.17 0.25 0.00 0.71 0.00 0.00 52.55 53.96 2d87 s ASP 96 Cb -0.18 -2.26 1.34 0.00 1.01 0.00 0.00 42.92 42.83 2d87 s ASP 96 CO 0.52 -0.52 1.62 4.11 0.21 0.00 0.00 175.17 181.11 2d87 h TRP 97 N 8.55 0.68 -0.33 4.23 5.08 -1.88 0.81 115.95 133.09 2d87 h TRP 97 Ca -0.27 0.03 0.05 0.00 1.08 0.00 0.00 58.89 59.78 2d87 h TRP 97 Cb 1.12 -0.17 -0.08 0.00 -3.00 0.00 0.00 29.16 27.03 2d87 h TRP 97 CO 0.71 -0.27 -0.51 0.87 -1.28 0.00 0.00 178.44 177.95 2d87 h LYS 98 N 0.11 -0.41 -0.10 0.12 1.57 -1.92 0.24 116.57 116.18 2d87 h LYS 98 Ca 0.81 0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 59.47 2d87 h LYS 98 Cb 2.32 0.09 0.01 0.00 0.08 0.00 0.00 32.23 34.73 2d87 h LYS 98 CO -0.55 -0.27 -0.51 0.00 -0.57 0.00 0.00 179.45 177.54 2d87 h VAL 100 N 0.13 0.00 -0.77 0.00 2.07 -0.70 -1.32 116.25 115.66 2d87 h VAL 100 Ca -0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 2d87 h VAL 100 Cb 1.16 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.81 2d87 h VAL 100 CO 0.11 0.00 0.19 0.22 0.02 0.00 0.00 177.57 178.10 2d87 h TYR 101 N -0.49 0.28 -0.30 1.57 5.03 -0.66 -1.98 116.97 120.43 2d87 h TYR 101 Ca 0.03 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.42 2d87 h TYR 101 Cb 0.58 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.79 2d87 h TYR 101 CO -0.58 -0.11 -0.51 1.15 -1.32 0.00 0.00 178.16 176.79 2d87 h THR 102 N 0.26 0.00 -0.60 1.81 2.02 -1.24 -0.37 112.91 114.80 2d87 h THR 102 Ca 0.44 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.74 2d87 h THR 102 Cb 0.78 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.08 2d87 h THR 102 CO -0.54 0.00 -0.13 0.22 0.37 0.00 0.00 175.52 175.43 2d87 h TYR 103 N -0.42 -0.29 -0.85 3.16 5.03 -0.98 0.20 116.97 122.81 2d87 h TYR 103 Ca 0.05 0.05 0.12 0.00 2.58 0.00 0.00 58.73 61.54 2d87 h TYR 103 Cb 0.58 0.22 -0.08 0.00 1.55 0.00 0.00 36.73 38.99 2d87 h TYR 103 CO -0.67 -0.25 0.47 0.82 -1.32 0.00 0.00 178.16 177.21 2d87 h ILE 104 N 0.01 0.84 -0.21 1.81 1.08 -0.99 -0.42 117.51 119.63 2d87 h ILE 104 Ca 0.29 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.43 2d87 h ILE 104 Cb 0.45 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2d87 h ILE 104 CO -0.61 0.14 -0.16 -0.61 -0.69 0.00 0.00 178.15 176.22 2d87 h GLN 105 N 0.74 0.48 0.27 2.37 4.15 0.78 -2.50 115.11 121.40 2d87 h GLN 105 Ca 0.43 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2d87 h GLN 105 Cb 0.50 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2d87 h GLN 105 CO -0.30 0.80 -0.32 1.49 -1.93 0.00 0.00 178.83 178.57 2d87 h GLU 106 N 0.17 -0.62 0.35 1.69 4.22 0.05 -2.05 114.58 118.39 2d87 h GLU 106 Ca 0.04 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 2d87 h GLU 106 Cb 0.69 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2d87 h GLU 106 CO 0.04 -0.41 -0.49 0.35 -2.18 0.00 0.00 179.01 176.33 2d87 h PHE 107 N -0.64 -1.37 -0.96 0.92 3.57 -1.16 -2.43 116.94 114.88 2d87 h PHE 107 Ca -0.01 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.72 2d87 h PHE 107 Cb 0.60 0.55 -0.18 0.00 2.79 0.00 0.00 35.95 39.71 2d87 h PHE 107 CO -0.21 -0.61 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.16 2d87 h TYR 108 N -0.87 -0.39 -0.98 0.41 5.03 -1.38 1.00 116.97 119.79 2d87 h TYR 108 Ca -0.04 0.08 0.17 0.00 2.58 0.00 0.00 58.73 61.52 2d87 h TYR 108 Cb 0.79 0.32 -0.10 0.00 1.55 0.00 0.00 36.73 39.29 2d87 h TYR 108 CO -0.31 -0.41 0.58 -0.09 -1.32 0.00 0.00 178.16 176.61 2d87 h ARG 109 N 0.01 0.75 0.11 1.82 2.43 -0.88 -1.29 114.38 117.34 2d87 h ARG 109 Ca 0.49 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 2d87 h ARG 109 Cb 0.82 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2d87 h ARG 109 CO -0.96 0.50 -0.05 0.00 -1.51 0.00 0.00 179.97 177.94 2d87 h LEU 111 N -0.73 -1.38 -0.85 0.00 3.38 -0.51 0.16 115.31 115.38 2d87 h LEU 111 Ca -0.02 0.22 0.22 0.00 0.09 0.00 0.00 57.88 58.39 2d87 h LEU 111 Cb 0.54 0.62 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 2d87 h LEU 111 CO 0.03 -0.35 0.07 0.58 0.09 0.00 0.00 178.44 178.86 2d87 h VAL 112 N -0.27 0.25 -0.40 1.22 2.07 -1.35 0.31 116.25 118.08 2d87 h VAL 112 Ca 0.16 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.51 2d87 h VAL 112 Cb 0.57 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2d87 h VAL 112 CO -0.62 0.02 -0.29 1.56 0.02 0.00 0.00 177.57 178.26 2d87 h GLN 113 N 0.11 0.90 -0.70 1.57 4.20 -0.99 -3.02 115.11 117.17 2d87 h GLN 113 Ca 0.50 -0.44 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2d87 h GLN 113 Cb 0.96 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2d87 h GLN 113 CO -0.73 1.09 0.46 0.87 -0.67 0.00 0.00 178.83 179.85 2d87 h LYS 114 N 0.71 0.78 0.00 1.46 1.79 0.22 -3.46 116.57 118.07 2d87 h LYS 114 Ca 0.08 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2d87 h LYS 114 Cb 0.87 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2d87 h LYS 114 CO 0.08 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 179.37 2d87 n GLY 115 N -1.44 1.75 0.22 3.86 0.00 0.10 -5.04 105.19 104.64 2d87 n GLY 115 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 2.29 -4.07 0.99 4.77 -1.10 -4.92 117.00 114.95 2d87 n LEU 116 Ca 0.00 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 2d87 n LEU 116 Cb 0.00 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.32 2d87 n LEU 116 CO 0.00 0.64 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.56 2d87 s VAL 117 N -2.37 2.20 0.60 4.08 1.01 -1.26 -5.00 120.40 119.65 2d87 s VAL 117 Ca -0.26 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 59.85 2d87 s VAL 117 Cb 0.08 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2d87 s VAL 117 CO 0.40 -0.07 1.13 -0.75 0.00 0.00 0.00 175.10 175.80 2d87 s LYS 118 N 1.09 3.08 -0.78 2.72 2.47 -1.26 -4.01 119.74 123.05 2d87 s LYS 118 Ca -0.07 1.53 -0.04 0.00 -1.56 0.00 0.00 55.97 55.83 2d87 s LYS 118 Cb -0.20 -1.98 0.15 0.00 -1.46 0.00 0.00 37.83 34.35 2d87 s LYS 118 CO -0.05 -1.05 2.46 2.41 0.16 0.00 0.00 175.35 179.27 2d87 n THR 119 N -1.81 4.09 0.33 3.43 -1.04 -1.26 -4.71 114.28 113.31 2d87 n THR 119 Ca 0.11 -3.83 0.09 0.00 -2.04 0.00 0.00 64.05 58.39 2d87 n THR 119 Cb 0.51 -1.64 0.51 0.00 -1.82 0.00 0.00 70.33 67.90 2d87 n THR 119 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2d87 h LYS 120 N 3.49 0.00 -7.01 -2.82 2.10 -2.05 -3.41 116.57 106.87 2d87 h LYS 120 Ca 0.51 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.63 2d87 h LYS 120 Cb 0.46 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 31.89 2d87 h LYS 120 CO 1.15 0.00 0.59 0.21 -2.00 0.00 0.00 179.45 179.39 2d87 s LYS 121 N -4.03 3.50 -0.09 0.07 2.47 -1.26 -5.03 119.74 115.37 2d87 s LYS 121 Ca -0.02 2.13 0.01 0.00 -1.56 0.00 0.00 55.97 56.52 2d87 s LYS 121 Cb 0.05 -2.42 0.02 0.00 -1.46 0.00 0.00 37.83 34.02 2d87 s LYS 121 CO 0.17 -0.87 -0.10 -1.12 0.16 0.00 0.00 175.35 173.59 2d87 s SER 122 N -0.97 2.03 0.06 1.43 0.01 -1.26 -5.12 113.70 109.87 2d87 s SER 122 Ca 0.66 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 57.33 2d87 s SER 122 Cb -0.37 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.10 2d87 s SER 122 CO 0.46 -0.05 1.01 -0.94 0.41 0.00 0.00 173.24 174.12 2d87 s SER 123 N 1.26 -0.21 0.05 2.44 1.04 -1.26 -5.18 113.70 111.84 2d87 s SER 123 Ca -0.03 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.21 2d87 s SER 123 Cb -0.14 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2d87 s SER 123 CO -0.03 -0.68 -0.10 -0.83 0.98 0.00 0.00 173.24 172.57 2d87 s GLY 124 N -2.76 0.64 0.00 7.32 0.00 -1.26 -5.01 107.32 106.25 2d87 s GLY 124 Ca 0.10 -0.85 0.14 0.00 0.00 0.00 0.00 44.72 44.11 2d87 s GLY 124 CO -0.02 -0.89 1.24 -1.55 0.00 0.00 0.00 173.10 171.87 2d87 n PRO 125 N 1.41 0.49 -0.93 2.90 -0.04 -1.26 -4.86 135.00 132.70 2d87 n PRO 125 Ca -0.22 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.89 2d87 n PRO 125 Cb 0.54 -1.44 0.07 0.00 -0.04 0.00 0.00 33.50 32.64 2d87 n PRO 125 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d87 n SER 126 N -0.94 -4.75 -3.88 3.54 7.64 -1.26 -5.01 113.62 108.97 2d87 n SER 126 Ca 0.10 0.22 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 2d87 n SER 126 Cb 0.05 -0.90 -0.14 0.00 -1.01 0.00 0.00 64.21 62.21 2d87 n SER 126 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d87 s SER 127 N -1.33 0.08 0.00 6.43 0.15 -1.26 -5.28 113.70 112.50 2d87 s SER 127 Ca 0.45 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2d87 s SER 127 Cb -0.19 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2d87 s SER 127 CO 0.78 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.83