#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 -0.10 -4.17 1.61 4.64 -2.12 -3.39 113.55 110.01 2d87 h SER 2 Ca 0.00 0.27 -0.20 0.00 -0.47 0.00 0.00 61.79 61.39 2d87 h SER 2 Cb 0.00 0.39 -0.25 0.00 -0.31 0.00 0.00 62.40 62.23 2d87 h SER 2 CO 0.00 -0.40 -0.66 -0.55 -0.87 0.00 0.00 176.83 174.35 2d87 s SER 3 N -4.78 0.03 0.00 4.97 0.15 -1.26 -5.15 113.70 107.67 2d87 s SER 3 Ca -0.11 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2d87 s SER 3 Cb 0.32 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2d87 s SER 3 CO 0.78 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.71 2d87 n GLY 4 N 2.54 5.47 2.25 9.45 0.00 -1.26 -5.04 105.19 118.59 2d87 n GLY 4 Ca -0.16 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2d87 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d87 n SER 5 N 0.00 6.22 -0.14 1.61 3.41 -1.26 -4.73 113.62 118.73 2d87 n SER 5 Ca 0.00 -3.77 -0.08 0.00 -0.26 0.00 0.00 58.87 54.75 2d87 n SER 5 Cb 0.00 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2d87 n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2d87 h SER 6 N 2.20 0.54 -1.35 4.04 4.64 -2.03 -3.48 113.55 118.11 2d87 h SER 6 Ca 0.48 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2d87 h SER 6 Cb 1.08 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2d87 h SER 6 CO 1.15 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 178.22 2d87 n GLY 7 N -0.93 3.55 0.31 -0.77 0.00 -1.26 -4.98 105.19 101.11 2d87 n GLY 7 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.86 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 1.00 1.24 -1.04 -0.61 2.04 -1.98 -2.49 117.51 115.67 2d87 h ILE 8 Ca 0.00 -0.74 0.30 0.00 1.00 0.00 0.00 64.86 65.42 2d87 h ILE 8 Cb 0.00 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2d87 h ILE 8 CO 0.00 0.30 1.13 0.50 0.00 0.00 0.00 178.15 180.09 2d87 h LYS 9 N 1.01 0.00 0.00 2.37 3.64 -2.00 -1.19 116.57 120.40 2d87 h LYS 9 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2d87 h LYS 9 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2d87 h LYS 9 CO -0.02 0.00 -0.02 0.37 -2.27 0.00 0.00 179.45 177.50 2d87 h GLN 10 N 0.00 0.00 -1.46 1.90 5.75 -1.83 -3.25 115.11 116.22 2d87 h GLN 10 Ca 0.49 0.00 0.46 0.00 -0.15 0.00 0.00 58.65 59.46 2d87 h GLN 10 Cb 2.76 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 31.21 2d87 h GLN 10 CO -0.01 0.00 1.00 0.00 -2.65 0.00 0.00 178.83 177.17 2d87 n MET 11 N -2.53 -0.02 0.11 1.69 0.00 -0.54 0.10 117.12 115.94 2d87 n MET 11 Ca -0.00 1.06 -0.13 0.00 0.00 0.00 0.00 57.70 58.62 2d87 n MET 11 Cb 0.01 -2.22 -0.08 0.00 0.00 0.00 0.00 33.22 30.93 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 -0.24 -0.70 3.17 3.38 -1.47 -0.94 115.31 118.51 2d87 h LEU 12 Ca 0.81 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.63 2d87 h LEU 12 Cb 2.89 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 43.65 2d87 h LEU 12 CO -0.24 0.10 0.39 0.25 0.09 0.00 0.00 178.44 179.02 2d87 h LEU 13 N -0.61 0.56 -0.18 1.67 5.85 0.68 0.13 115.31 123.41 2d87 h LEU 13 Ca -0.03 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2d87 h LEU 13 Cb 0.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2d87 h LEU 13 CO 0.05 0.35 0.08 -0.78 -0.34 0.00 0.00 178.44 177.79 2d87 h ASP 14 N 0.69 0.25 0.41 1.25 3.58 -1.33 -2.92 116.42 118.35 2d87 h ASP 14 Ca 0.33 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2d87 h ASP 14 Cb 0.25 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2d87 h ASP 14 CO -0.21 0.34 -0.20 -0.25 -2.88 0.00 0.00 179.24 176.04 2d87 h TRP 15 N 0.15 -0.51 -0.94 0.28 7.01 -0.62 -2.57 115.95 118.74 2d87 h TRP 15 Ca 0.06 -0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.28 2d87 h TRP 15 Cb 0.16 0.17 -0.17 0.00 -2.10 0.00 0.00 29.16 27.22 2d87 h TRP 15 CO -0.01 -0.28 -0.06 0.00 -2.79 0.00 0.00 178.44 175.29 2d87 h ARG 17 N 0.02 -0.95 -0.86 0.00 3.08 -1.33 0.11 114.38 114.46 2d87 h ARG 17 Ca 0.52 0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.76 2d87 h ARG 17 Cb 0.97 0.22 -0.13 0.00 0.08 0.00 0.00 29.97 31.11 2d87 h ARG 17 CO -0.89 -0.63 -0.38 0.00 -1.07 0.00 0.00 179.97 177.00 2d87 n ALA 18 N -2.54 -0.21 -0.06 0.04 0.00 -0.06 -0.13 120.51 117.54 2d87 n ALA 18 Ca -0.14 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.00 2d87 n ALA 18 Cb 0.40 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 2d87 n ALA 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2d87 h LYS 19 N 0.00 0.36 -1.66 0.00 1.79 -1.38 -3.08 116.57 112.60 2d87 h LYS 19 Ca 0.26 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 2d87 h LYS 19 Cb 0.47 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2d87 h LYS 19 CO -0.84 0.69 0.10 2.41 -1.08 0.00 0.00 179.45 180.74 2d87 n THR 20 N -4.59 1.98 -3.18 -0.16 -1.04 0.81 -4.89 114.28 103.21 2d87 n THR 20 Ca -0.06 -0.67 -0.31 0.00 -2.04 0.00 0.00 64.05 60.98 2d87 n THR 20 Cb 0.33 -1.33 -0.05 0.00 -1.82 0.00 0.00 70.33 67.46 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 -0.47 3.83 0.00 -2.82 0.52 0.40 -4.20 118.95 116.21 2d87 s ARG 21 Ca 0.08 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 2d87 s ARG 21 Cb 0.06 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 33.02 2d87 s ARG 21 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2d87 n GLY 22 N -0.62 1.37 3.12 -3.53 0.00 -1.26 -4.95 105.19 99.32 2d87 n GLY 22 Ca 0.02 -0.05 -0.54 0.00 0.00 0.00 0.00 46.02 45.44 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 0.96 -2.79 1.61 4.02 -1.26 -4.88 117.16 114.82 2d87 n TYR 23 Ca 0.00 0.95 -0.33 0.00 -0.01 0.00 0.00 57.90 58.51 2d87 n TYR 23 Cb 0.00 -1.86 -0.06 0.00 -0.02 0.00 0.00 39.34 37.40 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 1.09 4.13 -1.39 -0.72 2.56 -1.26 -3.88 118.70 119.24 2d87 s GLU 24 Ca 0.84 1.01 -0.09 0.00 0.00 0.00 0.00 54.97 56.73 2d87 s GLU 24 Cb -1.18 -2.21 0.02 0.00 2.00 0.00 0.00 34.13 32.75 2d87 s GLU 24 CO 0.58 -0.05 1.13 0.72 -0.56 0.00 0.00 175.26 177.09 2d87 n HIS 25 N -0.79 -2.78 -3.74 5.30 8.25 -1.26 -4.99 115.22 115.20 2d87 n HIS 25 Ca 0.06 0.97 -0.12 0.00 -0.26 0.00 0.00 57.72 58.37 2d87 n HIS 25 Cb 0.54 -4.91 -0.12 0.00 1.12 0.00 0.00 29.99 26.62 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 -3.31 -0.02 -0.26 1.59 1.01 -1.25 -4.81 120.40 113.36 2d87 s VAL 26 Ca 0.58 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 2d87 s VAL 26 Cb -0.26 -0.44 0.15 0.00 0.00 0.00 0.00 36.38 35.83 2d87 s VAL 26 CO 0.71 0.03 0.47 1.51 0.00 0.00 0.00 175.10 177.83 2d87 s ASP 27 N 0.78 -0.45 -0.72 3.32 1.47 -1.26 -4.94 116.67 114.87 2d87 s ASP 27 Ca -0.05 0.62 -0.19 0.00 1.18 0.00 0.00 52.55 54.11 2d87 s ASP 27 Cb -0.06 1.57 0.12 0.00 -0.34 0.00 0.00 42.92 44.21 2d87 s ASP 27 CO -0.05 -0.27 0.86 -0.63 0.68 0.00 0.00 175.17 175.75 2d87 s ILE 28 N 2.68 4.84 -0.22 2.11 1.01 -1.26 -4.81 121.20 125.56 2d87 s ILE 28 Ca 0.13 -1.27 0.12 0.00 0.00 0.00 0.00 60.65 59.63 2d87 s ILE 28 Cb -0.15 -4.59 -0.22 0.00 0.01 0.00 0.00 42.46 37.51 2d87 s ILE 28 CO -0.17 -1.26 -0.02 1.67 0.00 0.00 0.00 174.94 175.16 2d87 n GLN 29 N 6.23 0.68 -3.57 2.79 7.27 -1.26 -4.90 117.38 124.62 2d87 n GLN 29 Ca 0.03 0.05 -0.12 0.00 0.07 0.00 0.00 57.00 57.04 2d87 n GLN 29 Cb 0.45 -1.53 -0.05 0.00 2.41 0.00 0.00 30.24 31.52 2d87 n GLN 29 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2d87 s ASN 30 N -5.87 -0.42 -0.61 1.69 6.03 -1.26 -5.04 114.94 109.46 2d87 s ASN 30 Ca -0.19 0.49 -0.07 0.00 -1.03 0.00 0.00 52.86 52.06 2d87 s ASN 30 Cb 0.07 0.38 -0.16 0.00 -3.03 0.00 0.00 41.25 38.51 2d87 s ASN 30 CO 0.75 -0.37 2.94 0.49 -2.03 0.00 0.00 177.10 178.88 2d87 n PHE 31 N 0.86 0.90 0.08 1.54 3.72 -1.26 -3.51 117.46 119.79 2d87 n PHE 31 Ca -0.12 -1.90 0.00 0.00 -0.05 0.00 0.00 57.45 55.38 2d87 n PHE 31 Cb 0.58 -1.77 0.00 0.00 -0.94 0.00 0.00 39.48 37.35 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 3.11 0.54 -1.92 4.37 2.88 -1.25 -1.49 113.62 119.86 2d87 n SER 32 Ca 0.50 0.25 -0.02 0.00 -1.33 0.00 0.00 58.87 58.27 2d87 n SER 32 Cb 0.52 -0.04 0.06 0.00 -0.75 0.00 0.00 64.21 64.00 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 -3.38 2.02 -0.06 -3.46 3.41 -1.25 -2.33 113.62 108.58 2d87 n SER 33 Ca 0.00 -2.63 -0.02 0.00 -0.26 0.00 0.00 58.87 55.96 2d87 n SER 33 Cb 0.00 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 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 -0.36 0.88 -0.06 4.04 2.88 -1.23 -4.53 113.62 115.24 2d87 n SER 34 Ca 0.15 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.67 2d87 n SER 34 Cb 0.92 1.24 -0.15 0.00 -0.75 0.00 0.00 64.21 65.47 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 -2.44 0.00 -0.28 0.66 7.02 -1.26 -4.47 117.44 116.66 2d87 n TRP 35 Ca -0.19 0.00 0.26 0.00 -1.02 0.00 0.00 57.50 56.55 2d87 n TRP 35 Cb 0.84 -0.74 0.48 0.00 -2.42 0.00 0.00 31.31 29.47 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 -2.50 0.25 0.13 -0.99 3.41 -1.26 -0.41 113.62 112.25 2d87 n SER 36 Ca -0.20 1.46 -0.10 0.00 -0.26 0.00 0.00 58.87 59.77 2d87 n SER 36 Cb 0.88 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2d87 n SER 36 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2d87 h ASP 37 N 0.00 -0.78 0.00 4.04 3.32 -1.86 -3.48 116.42 117.67 2d87 h ASP 37 Ca 0.71 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.83 2d87 h ASP 37 Cb 1.84 0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.65 2d87 h ASP 37 CO -0.69 -0.35 0.00 0.61 -1.72 0.00 0.00 179.24 177.09 2d87 n GLY 38 N -1.29 1.78 0.26 2.75 0.00 0.45 -4.49 105.19 104.65 2d87 n GLY 38 Ca -0.06 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.06 -0.04 1.61 2.81 -1.26 -1.14 117.12 119.04 2d87 n MET 39 Ca 0.00 1.13 -0.01 0.00 -1.81 0.00 0.00 57.70 57.01 2d87 n MET 39 Cb 0.00 -1.79 -0.01 0.00 -0.71 0.00 0.00 33.22 30.71 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 -3.30 -0.06 -0.10 3.04 0.00 -1.26 -0.18 120.51 118.65 2d87 n ALA 40 Ca 0.18 0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 2d87 n ALA 40 Cb 0.58 0.29 -0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.68 -0.38 0.00 0.04 -1.43 -1.62 116.94 112.87 2d87 h PHE 41 Ca 0.01 0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.90 2d87 h PHE 41 Cb 0.04 0.36 -0.09 0.00 2.20 0.00 0.00 35.95 38.46 2d87 h PHE 41 CO -0.66 -0.33 -0.43 0.00 -0.60 0.00 0.00 178.31 176.29 2d87 h ALA 43 N 0.39 0.35 -0.37 0.00 0.00 0.11 0.45 119.26 120.19 2d87 h ALA 43 Ca 0.13 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2d87 h ALA 43 Cb 0.59 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2d87 h ALA 43 CO -0.56 -0.43 0.03 1.25 0.00 0.00 0.00 179.25 179.54 2d87 h LEU 44 N 0.03 -0.09 0.34 0.00 5.85 -0.30 -2.08 115.31 119.06 2d87 h LEU 44 Ca 0.23 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2d87 h LEU 44 Cb 0.35 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2d87 h LEU 44 CO -0.45 -0.01 -0.17 0.58 -0.34 0.00 0.00 178.44 178.05 2d87 h VAL 45 N 0.13 0.00 -0.69 1.05 2.07 -0.08 -3.23 116.25 115.49 2d87 h VAL 45 Ca 0.18 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.69 2d87 h VAL 45 Cb 0.24 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.88 2d87 h VAL 45 CO -0.28 0.00 0.06 1.57 0.02 0.00 0.00 177.57 178.94 2d87 n HIS 46 N -3.82 0.49 -0.21 1.57 -0.00 0.15 0.18 115.22 113.58 2d87 n HIS 46 Ca -0.06 0.83 0.01 0.00 -0.00 0.00 0.00 57.72 58.50 2d87 n HIS 46 Cb 0.18 -1.05 0.10 0.00 -0.00 0.00 0.00 29.99 29.22 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 -0.31 0.65 0.26 -1.24 -1.39 -0.64 115.58 112.92 2d87 h ASN 47 Ca 0.44 0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.58 2d87 h ASN 47 Cb 0.95 0.28 0.01 0.00 0.73 0.00 0.00 38.32 40.29 2d87 h ASN 47 CO -0.64 -0.13 -0.31 -0.26 -1.29 0.00 0.00 177.43 174.80 2d87 h PHE 48 N 0.10 -0.81 -3.41 0.67 0.04 0.19 -3.40 116.94 110.32 2d87 h PHE 48 Ca 0.32 -0.02 -0.65 0.00 2.80 0.00 0.00 57.97 60.43 2d87 h PHE 48 Cb 0.52 0.27 -0.40 0.00 2.20 0.00 0.00 35.95 38.54 2d87 h PHE 48 CO -0.38 -0.50 -0.60 -0.06 -0.60 0.00 0.00 178.31 176.16 2d87 s PHE 49 N -4.45 3.23 0.07 -0.55 0.40 -0.96 -4.95 117.98 110.77 2d87 s PHE 49 Ca -0.13 -3.12 -0.17 0.00 -0.60 0.00 0.00 56.93 52.92 2d87 s PHE 49 Cb 0.01 -2.87 -0.11 0.00 0.51 0.00 0.00 43.02 40.56 2d87 s PHE 49 CO 0.38 -0.76 1.39 -1.00 0.70 0.00 0.00 175.22 175.93 2d87 h PRO 50 N 6.60 0.55 0.00 0.24 0.13 -1.34 -3.11 132.00 135.08 2d87 h PRO 50 Ca -0.07 -0.29 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2d87 h PRO 50 Cb 0.90 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2d87 h PRO 50 CO 0.69 0.88 -0.24 1.05 -0.23 0.00 0.00 178.00 180.14 2d87 h GLU 51 N 0.25 0.00 -0.91 0.86 4.11 -1.92 -2.82 114.58 114.14 2d87 h GLU 51 Ca 0.04 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.63 2d87 h GLU 51 Cb 0.78 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 2d87 h GLU 51 CO 0.06 0.24 0.50 0.00 0.07 0.00 0.00 179.01 179.88 2d87 h ALA 52 N 1.76 1.43 -1.92 1.06 0.00 -1.92 -3.43 119.26 116.23 2d87 h ALA 52 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2d87 h ALA 52 Cb 0.46 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.01 2d87 h ALA 52 CO 0.03 -0.09 0.24 -0.59 0.00 0.00 0.00 179.25 178.85 2d87 s PHE 53 N -5.93 -0.63 0.21 0.00 -0.71 -1.07 -4.98 117.98 104.87 2d87 s PHE 53 Ca -0.12 1.19 -0.30 0.00 -1.04 0.00 0.00 56.93 56.66 2d87 s PHE 53 Cb 0.23 0.39 -0.08 0.00 -1.21 0.00 0.00 43.02 42.35 2d87 s PHE 53 CO 0.79 -0.52 1.04 -0.51 -1.34 0.00 0.00 175.22 174.67 2d87 s ASP 54 N -0.87 7.40 -0.09 1.98 1.01 -1.26 -4.74 116.67 120.10 2d87 s ASP 54 Ca -0.07 2.05 -0.06 0.00 0.71 0.00 0.00 52.55 55.18 2d87 s ASP 54 Cb -0.01 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2d87 s ASP 54 CO 0.07 -0.08 -0.11 0.22 0.21 0.00 0.00 175.17 175.48 2d87 h TYR 55 N 4.63 0.00 -1.27 4.23 3.20 -1.97 -3.37 116.97 122.42 2d87 h TYR 55 Ca -0.45 0.00 0.38 0.00 3.14 0.00 0.00 58.73 61.80 2d87 h TYR 55 Cb 1.21 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.38 2d87 h TYR 55 CO 0.62 0.00 0.85 0.78 -1.64 0.00 0.00 178.16 178.76 2d87 h GLY 56 N -0.69 0.95 0.78 1.82 0.00 -2.02 0.53 103.07 104.43 2d87 h GLY 56 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.28 2d87 h GLY 56 CO 0.00 -0.22 0.65 1.46 0.00 0.00 0.00 176.54 178.43 2d87 h GLN 57 N 0.16 1.16 -7.21 4.80 1.08 -1.99 -3.43 115.11 109.68 2d87 h GLN 57 Ca 0.72 -0.07 -0.48 0.00 -1.45 0.00 0.00 58.65 57.37 2d87 h GLN 57 Cb 2.31 -0.26 0.20 0.00 -0.05 0.00 0.00 27.48 29.68 2d87 h GLN 57 CO -0.28 0.77 0.11 -0.51 -0.95 0.00 0.00 178.83 177.97 2d87 s LEU 58 N -10.16 1.78 0.08 1.46 1.43 0.18 -5.05 118.68 108.41 2d87 s LEU 58 Ca -0.12 1.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.86 2d87 s LEU 58 Cb 0.20 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2d87 s LEU 58 CO 0.81 -3.69 -0.13 -0.44 0.23 0.00 0.00 176.35 173.14 2d87 s SER 59 N -2.59 1.61 0.08 2.29 0.01 -1.26 -5.05 113.70 108.78 2d87 s SER 59 Ca 0.68 -0.65 -0.17 0.00 1.31 0.00 0.00 55.95 57.12 2d87 s SER 59 Cb -0.24 -0.04 -0.11 0.00 0.21 0.00 0.00 66.02 65.85 2d87 s SER 59 CO 0.61 -0.11 1.39 1.55 0.41 0.00 0.00 173.24 177.09 2d87 h PRO 60 N 4.17 0.56 -0.90 12.44 0.13 -1.98 -3.06 132.00 143.36 2d87 h PRO 60 Ca -0.40 -0.30 0.26 0.00 -0.87 0.00 0.00 66.00 64.70 2d87 h PRO 60 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2d87 h PRO 60 CO 0.42 0.88 0.67 0.37 -0.23 0.00 0.00 178.00 180.12 2d87 h GLN 61 N 0.26 0.00 -6.12 0.86 4.15 -1.97 -3.36 115.11 108.93 2d87 h GLN 61 Ca 0.04 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.95 2d87 h GLN 61 Cb 0.78 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 2d87 h GLN 61 CO 0.06 0.00 1.22 -0.80 -1.93 0.00 0.00 178.83 177.38 2d87 s ASN 62 N -5.48 5.64 0.11 -0.69 0.01 -1.16 -4.82 114.94 108.55 2d87 s ASN 62 Ca -0.05 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.01 2d87 s ASN 62 Cb 0.21 -2.54 -0.17 0.00 0.41 0.00 0.00 41.25 39.16 2d87 s ASN 62 CO 0.75 -2.16 1.24 0.03 -1.51 0.00 0.00 177.10 175.45 2d87 h ARG 63 N 12.76 0.30 0.00 -0.60 3.08 -1.79 -3.20 114.38 124.93 2d87 h ARG 63 Ca -0.24 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.41 2d87 h ARG 63 Cb 1.11 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2d87 h ARG 63 CO 1.25 1.13 0.00 0.54 -1.07 0.00 0.00 179.97 181.82 2d87 n ARG 64 N -3.63 0.00 -0.26 0.04 1.74 -1.26 -3.92 116.66 109.37 2d87 n ARG 64 Ca -0.07 0.33 0.03 0.00 -0.77 0.00 0.00 57.85 57.37 2d87 n ARG 64 Cb 0.92 -0.82 0.08 0.00 -1.02 0.00 0.00 32.46 31.62 2d87 n ARG 64 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2d87 n GLN 65 N -1.95 -0.09 -0.24 5.56 7.27 -1.26 0.15 117.38 126.83 2d87 n GLN 65 Ca 0.00 1.11 0.02 0.00 0.07 0.00 0.00 57.00 58.20 2d87 n GLN 65 Cb 0.00 -1.65 0.10 0.00 2.41 0.00 0.00 30.24 31.10 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 -0.51 -0.10 1.69 2.35 -1.74 0.51 115.58 117.78 2d87 h ASN 66 Ca 0.32 0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 56.22 2d87 h ASN 66 Cb 0.50 0.38 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 2d87 h ASN 66 CO -0.73 -0.20 -0.10 -0.26 -1.65 0.00 0.00 177.43 174.49 2d87 h PHE 67 N 0.04 0.29 0.27 1.19 -1.00 0.13 -2.96 116.94 114.91 2d87 h PHE 67 Ca 0.35 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 2d87 h PHE 67 Cb 0.57 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 2d87 h PHE 67 CO -0.49 0.67 -0.20 0.93 -1.61 0.00 0.00 178.31 177.60 2d87 h GLU 68 N -0.18 -0.44 -0.98 1.51 5.08 0.11 -1.44 114.58 118.24 2d87 h GLU 68 Ca 0.01 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.59 2d87 h GLU 68 Cb 0.62 0.10 -0.18 0.00 0.50 0.00 0.00 28.75 29.79 2d87 h GLU 68 CO 0.02 -0.29 -0.29 0.28 -1.00 0.00 0.00 179.01 177.73 2d87 h VAL 69 N -0.45 0.01 -0.58 3.13 2.07 -0.15 0.68 116.25 120.95 2d87 h VAL 69 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2d87 h VAL 69 Cb 0.38 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2d87 h VAL 69 CO 0.02 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.87 2d87 h ALA 70 N 1.79 0.76 0.59 1.67 0.00 -1.36 0.29 119.26 123.00 2d87 h ALA 70 Ca 0.43 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2d87 h ALA 70 Cb 0.68 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2d87 h ALA 70 CO -1.00 -0.12 -0.28 0.74 0.00 0.00 0.00 179.25 178.58 2d87 h PHE 71 N 0.49 -0.74 0.29 0.00 0.04 0.13 -3.13 116.94 114.01 2d87 h PHE 71 Ca 0.28 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.03 2d87 h PHE 71 Cb 0.26 0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2d87 h PHE 71 CO -0.13 -0.41 -0.51 0.77 -0.60 0.00 0.00 178.31 177.43 2d87 h SER 72 N -1.12 -1.47 -0.75 2.17 0.02 -0.36 -2.07 113.55 109.97 2d87 h SER 72 Ca -0.08 0.14 0.15 0.00 -0.84 0.00 0.00 61.79 61.15 2d87 h SER 72 Cb 0.66 0.52 -0.14 0.00 0.14 0.00 0.00 62.40 63.57 2d87 h SER 72 CO 0.13 -0.60 -0.20 -1.54 -1.14 0.00 0.00 176.83 173.48 2d87 n SER 73 N -5.52 -0.30 0.22 3.07 3.41 0.10 -0.86 113.62 113.75 2d87 n SER 73 Ca -0.10 1.29 -0.09 0.00 -0.26 0.00 0.00 58.87 59.72 2d87 n SER 73 Cb 0.43 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 2d87 n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d87 h ALA 74 N 1.44 -1.01 -1.25 7.33 0.00 -1.37 -2.78 119.26 121.63 2d87 h ALA 74 Ca 0.35 -0.13 0.36 0.00 0.00 0.00 0.00 54.91 55.49 2d87 h ALA 74 Cb 0.53 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2d87 h ALA 74 CO -0.77 -0.97 1.20 -1.91 0.00 0.00 0.00 179.25 176.80 2d87 n GLU 75 N -3.74 0.01 -0.10 0.00 2.13 -0.04 0.24 120.64 119.14 2d87 n GLU 75 Ca -0.07 0.96 -0.13 0.00 0.66 0.00 0.00 57.16 58.58 2d87 n GLU 75 Cb 0.23 -2.34 -0.09 0.00 0.27 0.00 0.00 31.44 29.50 2d87 n GLU 75 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2d87 h THR 76 N 0.00 0.00 0.00 6.31 2.02 -0.89 -2.05 112.91 118.30 2d87 h THR 76 Ca 0.59 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.74 2d87 h THR 76 Cb 2.98 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 2d87 h THR 76 CO -0.01 0.00 -1.23 0.00 0.37 0.00 0.00 175.52 174.66 2d87 n HIS 77 N -5.15 0.00 0.08 3.16 1.44 -0.04 -4.65 115.22 110.07 2d87 n HIS 77 Ca -0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.55 2d87 n HIS 77 Cb 0.32 -0.14 -0.13 0.00 0.12 0.00 0.00 29.99 30.17 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 0.30 0.22 -6.01 1.59 0.00 -0.34 -3.48 119.26 111.54 2d87 h ALA 78 Ca -0.05 -0.89 -0.42 0.00 0.00 0.00 0.00 54.91 53.55 2d87 h ALA 78 Cb 0.66 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.45 2d87 h ALA 78 CO 0.00 1.09 -0.74 -3.47 0.00 0.00 0.00 179.25 176.14 2d87 n ASP 79 N -3.46 -4.62 -4.74 0.00 2.03 -0.77 -4.86 116.55 100.13 2d87 n ASP 79 Ca -0.05 -0.67 -0.41 0.00 0.52 0.00 0.00 54.79 54.19 2d87 n ASP 79 Cb 0.98 -4.53 -0.04 0.00 -0.72 0.00 0.00 41.12 36.81 2d87 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d87 s PRO 81 N -0.61 4.07 -0.80 0.00 0.04 -1.26 -4.67 135.00 131.77 2d87 s PRO 81 Ca 0.47 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 63.16 2d87 s PRO 81 Cb -0.28 -3.95 -0.05 0.00 0.04 0.00 0.00 34.50 30.26 2d87 s PRO 81 CO 0.35 -0.95 1.96 -0.65 0.04 0.00 0.00 177.00 177.75 2d87 s GLN 82 N 4.11 2.51 -0.16 4.56 -0.21 -1.26 -4.77 119.66 124.44 2d87 s GLN 82 Ca 0.68 0.07 -0.17 0.00 0.02 0.00 0.00 55.36 55.97 2d87 s GLN 82 Cb -0.28 -4.83 -0.14 0.00 1.00 0.00 0.00 33.01 28.76 2d87 s GLN 82 CO 0.26 -3.25 0.23 -0.07 -2.12 0.00 0.00 175.29 170.34 2d87 h LEU 83 N 17.77 0.00 -9.92 2.90 3.38 -2.00 -3.47 115.31 123.98 2d87 h LEU 83 Ca -0.02 -0.43 -0.55 0.00 0.09 0.00 0.00 57.88 56.96 2d87 h LEU 83 Cb 1.06 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.93 2d87 h LEU 83 CO 1.20 1.02 0.60 0.18 0.09 0.00 0.00 178.44 181.53 2d87 n LEU 84 N -4.58 4.64 -4.29 1.67 4.77 -1.26 -4.95 117.00 113.00 2d87 n LEU 84 Ca -0.15 1.11 -0.44 0.00 -0.03 0.00 0.00 56.01 56.50 2d87 n LEU 84 Cb 0.41 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2d87 n LEU 84 CO 0.17 -0.39 0.45 -1.81 -1.33 0.00 0.00 177.39 174.48 2d87 s ASP 85 N -0.51 6.63 0.28 -1.43 1.11 -1.26 -4.92 116.67 116.57 2d87 s ASP 85 Ca 0.61 -2.99 -0.03 0.00 0.18 0.00 0.00 52.55 50.32 2d87 s ASP 85 Cb -0.47 -2.14 0.60 0.00 1.07 0.00 0.00 42.92 41.98 2d87 s ASP 85 CO 0.57 -0.45 1.59 0.74 1.18 0.00 0.00 175.17 178.80 2d87 h THR 86 N 4.54 0.12 -0.89 -1.27 2.02 -1.97 1.18 112.91 116.64 2d87 h THR 86 Ca 0.11 -0.01 0.19 0.00 0.77 0.00 0.00 66.41 67.46 2d87 h THR 86 Cb 0.98 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 2d87 h THR 86 CO 0.81 0.01 0.58 1.05 0.37 0.00 0.00 175.52 178.34 2d87 h GLU 87 N 0.04 0.47 0.00 6.66 9.09 -2.00 0.40 114.58 129.24 2d87 h GLU 87 Ca 0.52 -0.03 -0.25 0.00 0.05 0.00 0.00 59.36 59.65 2d87 h GLU 87 Cb 0.99 -0.11 -0.04 0.00 -1.65 0.00 0.00 28.75 27.94 2d87 h GLU 87 CO -0.85 0.31 -1.52 0.22 0.05 0.00 0.00 179.01 177.22 2d87 h ASP 88 N 0.49 0.00 -0.65 3.06 3.58 0.72 -3.35 116.42 120.26 2d87 h ASP 88 Ca 0.46 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.85 2d87 h ASP 88 Cb 1.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 2d87 h ASP 88 CO -0.19 0.91 0.14 0.24 -2.88 0.00 0.00 179.24 177.46 2d87 h MET 89 N 0.00 1.06 0.54 0.28 2.86 0.18 0.16 114.93 120.01 2d87 h MET 89 Ca -0.22 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 2d87 h MET 89 Cb 1.88 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.41 2d87 h MET 89 CO 0.08 0.96 -0.36 0.28 1.06 0.00 0.00 176.91 178.93 2d87 h VAL 90 N 0.98 0.00 -0.66 -2.22 2.07 -1.15 -3.10 116.25 112.17 2d87 h VAL 90 Ca 0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2d87 h VAL 90 Cb 0.39 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2d87 h VAL 90 CO 0.01 0.00 0.33 0.08 0.02 0.00 0.00 177.57 178.00 2d87 h ARG 91 N -0.85 0.95 -6.17 1.57 0.11 -1.69 -3.43 114.38 104.87 2d87 h ARG 91 Ca -0.07 -0.13 -0.69 0.00 0.10 0.00 0.00 59.98 59.18 2d87 h ARG 91 Cb 0.69 -0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.61 2d87 h ARG 91 CO 0.06 0.75 1.02 1.28 0.10 0.00 0.00 179.97 183.17 2d87 n LEU 92 N -4.48 2.72 -0.29 0.08 4.77 0.58 -4.78 117.00 115.59 2d87 n LEU 92 Ca 0.05 0.99 0.26 0.00 -0.03 0.00 0.00 56.01 57.28 2d87 n LEU 92 Cb 0.12 -1.22 0.49 0.00 -2.33 0.00 0.00 43.42 40.47 2d87 n LEU 92 CO 0.38 -0.32 0.91 0.54 -1.33 0.00 0.00 177.39 177.57 2d87 n ARG 93 N 6.07 -0.06 -3.61 3.23 1.74 -1.26 -4.52 116.66 118.24 2d87 n ARG 93 Ca 0.27 1.25 -0.11 0.00 -0.77 0.00 0.00 57.85 58.49 2d87 n ARG 93 Cb 0.19 -2.21 -0.06 0.00 -1.02 0.00 0.00 32.46 29.36 2d87 n ARG 93 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2d87 s GLU 94 N -5.44 0.63 -0.49 5.56 -1.05 -1.26 -5.04 118.70 111.61 2d87 s GLU 94 Ca -0.09 0.53 -0.27 0.00 -0.15 0.00 0.00 54.97 54.99 2d87 s GLU 94 Cb 0.30 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 34.28 2d87 s GLU 94 CO 0.70 -0.12 1.79 -1.25 0.95 0.00 0.00 175.26 177.33 2d87 s PRO 95 N -0.17 2.99 0.17 -4.83 0.04 -0.99 -4.96 135.00 127.26 2d87 s PRO 95 Ca 0.00 0.94 -0.32 0.00 0.04 0.00 0.00 61.00 61.67 2d87 s PRO 95 Cb -0.04 -4.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.12 2d87 s PRO 95 CO -0.02 -2.29 1.58 -0.51 0.04 0.00 0.00 177.00 175.81 2d87 s ASP 96 N 6.90 6.56 0.31 6.66 1.11 -1.26 -3.91 116.67 133.04 2d87 s ASP 96 Ca 0.71 2.65 0.07 0.00 0.18 0.00 0.00 52.55 56.16 2d87 s ASP 96 Cb -0.16 -2.60 0.85 0.00 1.07 0.00 0.00 42.92 42.09 2d87 s ASP 96 CO 0.27 -0.84 1.67 4.11 1.18 0.00 0.00 175.17 181.56 2d87 h TRP 97 N 6.75 0.65 -1.17 4.23 5.08 -1.60 0.53 115.95 130.42 2d87 h TRP 97 Ca -0.43 0.04 0.37 0.00 1.08 0.00 0.00 58.89 59.96 2d87 h TRP 97 Cb 1.20 -0.14 -0.08 0.00 -3.00 0.00 0.00 29.16 27.15 2d87 h TRP 97 CO 0.65 -0.15 0.80 1.63 -1.28 0.00 0.00 178.44 180.09 2d87 n LYS 98 N -5.11 -0.02 -0.09 0.12 4.76 -1.26 -0.59 118.16 115.98 2d87 n LYS 98 Ca 0.25 0.85 -0.10 0.00 -2.87 0.00 0.00 58.31 56.44 2d87 n LYS 98 Cb 0.78 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -0.93 0.00 -0.91 0.00 2.07 -1.00 0.69 116.25 116.17 2d87 h VAL 100 Ca -0.07 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.68 2d87 h VAL 100 Cb 1.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.64 2d87 h VAL 100 CO -0.04 0.00 0.41 0.22 0.02 0.00 0.00 177.57 178.18 2d87 h TYR 101 N -0.00 0.68 -0.05 1.57 5.03 -1.11 0.18 116.97 123.26 2d87 h TYR 101 Ca 0.29 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.68 2d87 h TYR 101 Cb 0.54 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.62 2d87 h TYR 101 CO -0.92 -0.06 -0.22 1.15 -1.32 0.00 0.00 178.16 176.79 2d87 h THR 102 N 0.39 0.47 0.61 1.81 2.02 0.22 -1.48 112.91 116.95 2d87 h THR 102 Ca 0.58 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.73 2d87 h THR 102 Cb 1.12 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2d87 h THR 102 CO -0.54 0.00 -0.29 0.22 0.37 0.00 0.00 175.52 175.28 2d87 h TYR 103 N -0.32 -0.76 -0.98 3.16 3.20 -0.84 -0.45 116.97 119.97 2d87 h TYR 103 Ca 0.08 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.11 2d87 h TYR 103 Cb 0.43 0.25 -0.18 0.00 1.54 0.00 0.00 36.73 38.77 2d87 h TYR 103 CO -0.29 -0.42 -0.29 -0.89 -1.64 0.00 0.00 178.16 174.63 2d87 n ILE 104 N -5.37 -0.44 -0.10 1.81 2.08 -0.12 0.22 119.36 117.44 2d87 n ILE 104 Ca -0.12 2.27 -0.12 0.00 0.56 0.00 0.00 62.75 65.34 2d87 n ILE 104 Cb 0.35 -3.09 -0.04 0.00 -0.75 0.00 0.00 39.64 36.11 2d87 n ILE 104 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 2d87 h GLN 105 N 0.00 0.65 -0.57 0.38 5.75 -1.24 -1.84 115.11 118.23 2d87 h GLN 105 Ca 0.43 -0.29 0.09 0.00 -0.15 0.00 0.00 58.65 58.73 2d87 h GLN 105 Cb 0.68 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.14 2d87 h GLN 105 CO -1.00 0.88 0.19 1.49 -2.65 0.00 0.00 178.83 177.73 2d87 h GLU 106 N 0.40 0.35 0.54 1.69 4.57 0.15 -1.23 114.58 121.05 2d87 h GLU 106 Ca 0.07 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2d87 h GLU 106 Cb 0.69 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2d87 h GLU 106 CO 0.05 0.23 -0.26 0.35 -1.18 0.00 0.00 179.01 178.20 2d87 h PHE 107 N 0.36 -0.68 -0.94 0.92 3.57 -0.55 -3.11 116.94 116.51 2d87 h PHE 107 Ca 0.29 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 62.03 2d87 h PHE 107 Cb 0.36 0.22 -0.17 0.00 2.79 0.00 0.00 35.95 39.15 2d87 h PHE 107 CO -0.18 -0.37 0.07 -0.92 -2.23 0.00 0.00 178.31 174.67 2d87 h TYR 108 N -1.12 0.03 -0.95 0.41 3.20 -1.17 0.91 116.97 118.28 2d87 h TYR 108 Ca -0.07 0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2d87 h TYR 108 Cb 0.61 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.94 2d87 h TYR 108 CO 0.01 -0.38 0.59 -0.09 -1.64 0.00 0.00 178.16 176.65 2d87 h ARG 109 N 0.05 0.98 0.12 1.82 2.43 -1.23 -1.69 114.38 116.86 2d87 h ARG 109 Ca 0.57 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 2d87 h ARG 109 Cb 1.18 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2d87 h ARG 109 CO -0.85 0.65 -0.06 0.00 -1.51 0.00 0.00 179.97 178.20 2d87 h LEU 111 N -0.43 -0.07 -1.08 0.00 3.38 -0.87 0.36 115.31 116.60 2d87 h LEU 111 Ca -0.02 0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.29 2d87 h LEU 111 Cb 0.35 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.18 2d87 h LEU 111 CO 0.03 -0.03 0.61 0.58 0.09 0.00 0.00 178.44 179.72 2d87 h VAL 112 N 0.22 0.66 -0.16 1.22 2.07 -1.27 -0.34 116.25 118.65 2d87 h VAL 112 Ca 0.32 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2d87 h VAL 112 Cb 0.49 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2d87 h VAL 112 CO -0.44 0.12 -0.08 1.56 0.02 0.00 0.00 177.57 178.76 2d87 h GLN 113 N 0.67 0.33 -0.56 1.57 4.20 -0.89 -3.05 115.11 117.38 2d87 h GLN 113 Ca 0.58 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 59.19 2d87 h GLN 113 Cb 1.04 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2d87 h GLN 113 CO -0.37 0.65 0.37 0.87 -0.67 0.00 0.00 178.83 179.68 2d87 h LYS 114 N 0.00 0.57 0.00 1.46 6.56 -0.54 -3.46 116.57 121.17 2d87 h LYS 114 Ca 0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2d87 h LYS 114 Cb 0.55 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2d87 h LYS 114 CO 0.02 0.38 0.00 0.41 -2.06 0.00 0.00 179.45 178.20 2d87 n GLY 115 N -1.48 1.95 0.12 3.86 0.00 -0.29 -5.04 105.19 104.31 2d87 n GLY 115 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 2.11 -4.11 0.99 4.77 -1.00 -4.78 117.00 114.98 2d87 n LEU 116 Ca 0.00 0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 2d87 n LEU 116 Cb 0.00 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.00 2d87 n LEU 116 CO 0.00 0.49 -0.14 -0.69 -1.33 0.00 0.00 177.39 175.72 2d87 s VAL 117 N -2.44 3.33 0.09 4.08 1.01 -1.26 -5.01 120.40 120.20 2d87 s VAL 117 Ca -0.29 -2.19 -0.36 0.00 0.00 0.00 0.00 61.98 59.14 2d87 s VAL 117 Cb 0.08 -3.27 -0.18 0.00 0.00 0.00 0.00 36.38 33.01 2d87 s VAL 117 CO 0.62 -0.72 1.08 1.17 0.00 0.00 0.00 175.10 177.25 2d87 n LYS 118 N 4.43 0.55 -0.71 2.72 4.81 -1.26 -4.45 118.16 124.25 2d87 n LYS 118 Ca -0.01 0.20 -0.33 0.00 -0.87 0.00 0.00 58.31 57.30 2d87 n LYS 118 Cb 0.41 -1.66 0.16 0.00 0.02 0.00 0.00 35.03 33.95 2d87 n LYS 118 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2d87 n THR 119 N 1.52 0.00 -2.99 3.15 -2.24 -1.26 -4.99 114.28 107.46 2d87 n THR 119 Ca 0.18 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 2d87 n THR 119 Cb 0.17 -0.54 0.01 0.00 -2.10 0.00 0.00 70.33 67.87 2d87 n THR 119 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2d87 s LYS 120 N -3.30 3.07 0.00 -0.78 1.02 -1.26 -4.97 119.74 113.52 2d87 s LYS 120 Ca 0.54 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 56.07 2d87 s LYS 120 Cb -0.10 -2.56 0.26 0.00 -0.52 0.00 0.00 37.83 34.91 2d87 s LYS 120 CO 0.66 -0.27 1.13 0.36 -0.92 0.00 0.00 175.35 176.32 2d87 n LYS 121 N -2.07 0.96 -2.27 1.68 -0.00 -1.26 -4.86 118.16 110.33 2d87 n LYS 121 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.95 2d87 n LYS 121 Cb 0.58 -1.07 -0.01 0.00 -0.00 0.00 0.00 35.03 34.52 2d87 n LYS 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2d87 s SER 122 N -1.18 6.22 0.74 -5.58 0.15 -1.26 -5.05 113.70 107.75 2d87 s SER 122 Ca 0.07 2.29 -0.01 0.00 0.70 0.00 0.00 55.95 59.00 2d87 s SER 122 Cb 0.03 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 2d87 s SER 122 CO 0.05 -0.88 1.02 -0.55 1.20 0.00 0.00 173.24 174.08 2d87 s SER 123 N -1.36 4.22 0.00 5.45 0.15 -1.26 -5.08 113.70 115.82 2d87 s SER 123 Ca 0.63 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2d87 s SER 123 Cb -0.28 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2d87 s SER 123 CO 0.35 -1.96 0.00 0.61 1.20 0.00 0.00 173.24 173.44 2d87 n GLY 124 N -2.90 -0.05 3.70 9.45 0.00 -1.26 -5.13 105.19 109.00 2d87 n GLY 124 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 0.94 -0.37 1.61 0.04 -1.26 -4.82 135.00 131.11 2d87 s PRO 125 Ca 0.00 0.70 -0.35 0.00 0.04 0.00 0.00 61.00 61.40 2d87 s PRO 125 Cb 0.00 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.61 2d87 s PRO 125 CO 0.00 -2.43 1.26 0.43 0.04 0.00 0.00 177.00 176.30 2d87 n SER 126 N -4.00 0.85 -3.59 6.66 7.64 -1.26 -4.89 113.62 115.03 2d87 n SER 126 Ca 0.06 0.83 0.01 0.00 1.01 0.00 0.00 58.87 60.78 2d87 n SER 126 Cb 0.56 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 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 2.60 -0.26 0.00 6.43 0.15 -1.26 -5.23 113.70 116.13 2d87 s SER 127 Ca 0.80 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2d87 s SER 127 Cb -1.12 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2d87 s SER 127 CO 0.59 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.58