#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 4.98 0.66 1.61 0.15 -1.26 -4.94 113.70 114.90 2d87 s SER 2 Ca 0.00 0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.82 2d87 s SER 2 Cb 0.00 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2d87 s SER 2 CO 0.00 -2.64 0.90 -1.54 1.20 0.00 0.00 173.24 171.16 2d87 n SER 3 N 14.00 0.36 0.00 5.45 3.41 -1.26 -4.88 113.62 130.70 2d87 n SER 3 Ca 0.28 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 2d87 n SER 3 Cb 0.51 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2d87 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d87 n GLY 4 N 1.28 -1.22 4.25 5.00 0.00 -1.26 -5.02 105.19 108.22 2d87 n GLY 4 Ca 0.13 0.66 -0.34 0.00 0.00 0.00 0.00 46.02 46.47 2d87 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d87 n SER 5 N 0.00 -1.34 -4.02 1.61 7.64 -1.26 -4.91 113.62 111.34 2d87 n SER 5 Ca 0.00 -1.12 -0.31 0.00 1.01 0.00 0.00 58.87 58.45 2d87 n SER 5 Cb 0.00 -2.33 -0.15 0.00 -1.01 0.00 0.00 64.21 60.73 2d87 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d87 s SER 6 N -3.78 4.74 0.00 6.43 0.15 -1.26 -5.04 113.70 114.94 2d87 s SER 6 Ca 0.42 -2.29 0.00 0.00 0.70 0.00 0.00 55.95 54.78 2d87 s SER 6 Cb -0.24 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2d87 s SER 6 CO 0.96 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.64 2d87 n GLY 7 N 4.09 3.71 0.14 9.45 0.00 -1.26 -4.88 105.19 116.43 2d87 n GLY 7 Ca 0.04 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 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 0.52 1.11 -0.32 -0.61 5.03 -2.00 -3.28 117.51 117.97 2d87 h ILE 8 Ca 0.00 -2.53 0.09 0.00 -0.12 0.00 0.00 64.86 62.30 2d87 h ILE 8 Cb 0.00 2.88 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 2d87 h ILE 8 CO 0.00 0.79 0.54 0.50 -0.68 0.00 0.00 178.15 179.31 2d87 h LYS 9 N -0.04 0.00 0.12 2.37 3.11 -2.00 0.16 116.57 120.29 2d87 h LYS 9 Ca -0.29 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.30 2d87 h LYS 9 Cb 1.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.22 2d87 h LYS 9 CO 0.17 0.00 -1.22 0.37 -2.81 0.00 0.00 179.45 175.97 2d87 h GLN 10 N 0.00 0.25 -0.28 1.90 5.75 -1.90 -3.23 115.11 117.60 2d87 h GLN 10 Ca 0.15 -0.42 -0.07 0.00 -0.15 0.00 0.00 58.65 58.16 2d87 h GLN 10 Cb 1.24 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 2d87 h GLN 10 CO -0.00 1.20 -0.12 0.00 -2.65 0.00 0.00 178.83 177.26 2d87 h MET 11 N -0.36 0.47 -0.22 1.69 -0.00 -0.86 -2.36 114.93 113.29 2d87 h MET 11 Ca -0.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 59.70 59.30 2d87 h MET 11 Cb 1.70 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 33.24 2d87 h MET 11 CO 0.08 0.59 0.07 -0.07 -0.00 0.00 0.00 176.91 177.57 2d87 h LEU 12 N 0.44 0.32 0.09 -0.10 3.38 -1.05 0.76 115.31 119.16 2d87 h LEU 12 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2d87 h LEU 12 Cb 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2d87 h LEU 12 CO 0.03 0.44 -0.04 0.25 0.09 0.00 0.00 178.44 179.21 2d87 h LEU 13 N 0.19 -0.10 -0.76 1.67 5.85 -1.53 0.19 115.31 120.81 2d87 h LEU 13 Ca 0.07 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2d87 h LEU 13 Cb 0.24 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2d87 h LEU 13 CO -0.00 -0.01 0.48 -0.78 -0.34 0.00 0.00 178.44 177.78 2d87 h ASP 14 N -0.18 0.91 -0.12 1.25 3.58 -1.40 -2.71 116.42 117.74 2d87 h ASP 14 Ca -0.01 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2d87 h ASP 14 Cb 0.15 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2d87 h ASP 14 CO 0.02 0.69 0.06 -0.25 -2.88 0.00 0.00 179.24 176.87 2d87 h TRP 15 N 1.04 0.18 -0.90 0.28 7.01 -0.64 -2.72 115.95 120.20 2d87 h TRP 15 Ca 0.28 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.45 2d87 h TRP 15 Cb -0.06 -0.05 -0.11 0.00 -2.10 0.00 0.00 29.16 26.83 2d87 h TRP 15 CO -0.01 0.24 0.46 0.00 -2.79 0.00 0.00 178.44 176.33 2d87 h ARG 17 N 0.57 0.73 0.00 0.00 3.08 -1.22 0.48 114.38 118.02 2d87 h ARG 17 Ca 0.52 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.47 2d87 h ARG 17 Cb 0.86 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2d87 h ARG 17 CO -0.43 0.60 -0.01 0.00 -1.07 0.00 0.00 179.97 179.06 2d87 h ALA 18 N 1.10 1.72 -0.01 0.04 0.00 -0.73 1.75 119.26 123.13 2d87 h ALA 18 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2d87 h ALA 18 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2d87 h ALA 18 CO -0.02 0.02 -0.51 1.63 0.00 0.00 0.00 179.25 180.36 2d87 n LYS 19 N -4.15 0.77 -0.43 0.00 4.76 -0.79 -4.18 118.16 114.15 2d87 n LYS 19 Ca -0.03 -0.58 0.03 0.00 -2.87 0.00 0.00 58.31 54.87 2d87 n LYS 19 Cb 0.10 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.85 2d87 n LYS 19 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2d87 n THR 20 N -0.61 0.65 -2.60 -0.18 -1.04 0.09 -4.52 114.28 106.07 2d87 n THR 20 Ca 0.09 -0.85 -0.42 0.00 -2.04 0.00 0.00 64.05 60.83 2d87 n THR 20 Cb 0.40 0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.98 4.54 0.00 -2.82 1.70 0.58 -3.55 118.95 118.42 2d87 s ARG 21 Ca 0.13 1.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.96 2d87 s ARG 21 Cb 0.12 -3.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 2d87 s ARG 21 CO -0.00 -0.06 0.00 0.41 -1.08 0.00 0.00 175.30 174.57 2d87 n GLY 22 N 2.80 3.03 3.67 3.88 0.00 -1.26 -5.04 105.19 112.26 2d87 n GLY 22 Ca 0.06 -0.89 -0.57 0.00 0.00 0.00 0.00 46.02 44.62 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 1.79 -1.10 1.61 4.01 -1.23 -4.91 117.16 117.33 2d87 n TYR 23 Ca 0.00 0.65 -0.30 0.00 -0.16 0.00 0.00 57.90 58.09 2d87 n TYR 23 Cb 0.00 -2.38 0.15 0.00 -0.31 0.00 0.00 39.34 36.80 2d87 n TYR 23 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2d87 s GLU 24 N 2.39 1.03 -0.15 -0.72 2.56 -1.26 -3.11 118.70 119.44 2d87 s GLU 24 Ca 0.94 0.89 0.00 0.00 0.00 0.00 0.00 54.97 56.80 2d87 s GLU 24 Cb -1.08 -1.78 0.00 0.00 2.00 0.00 0.00 34.13 33.27 2d87 s GLU 24 CO 0.61 -2.41 0.00 -2.39 -0.56 0.00 0.00 175.26 170.51 2d87 n HIS 25 N -4.01 -1.79 -4.42 5.30 1.44 -1.26 -4.87 115.22 105.61 2d87 n HIS 25 Ca 0.07 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.58 2d87 n HIS 25 Cb 0.55 -1.24 -0.15 0.00 0.12 0.00 0.00 29.99 29.27 2d87 n HIS 25 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2d87 s VAL 26 N -1.97 0.80 -0.30 0.61 1.01 -1.18 -4.90 120.40 114.47 2d87 s VAL 26 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2d87 s VAL 26 Cb 0.00 -0.68 0.18 0.00 0.00 0.00 0.00 36.38 35.88 2d87 s VAL 26 CO 0.00 0.23 0.69 1.51 0.00 0.00 0.00 175.10 177.53 2d87 s ASP 27 N -0.12 -1.19 -0.64 3.32 1.47 -1.26 -4.87 116.67 113.37 2d87 s ASP 27 Ca 0.02 0.86 -0.19 0.00 1.18 0.00 0.00 52.55 54.43 2d87 s ASP 27 Cb -0.05 2.04 0.12 0.00 -0.34 0.00 0.00 42.92 44.69 2d87 s ASP 27 CO -0.00 -0.22 0.75 -0.63 0.68 0.00 0.00 175.17 175.75 2d87 s ILE 28 N 2.86 4.87 -0.19 2.11 1.01 -1.26 -4.79 121.20 125.81 2d87 s ILE 28 Ca 0.14 -1.16 0.07 0.00 0.00 0.00 0.00 60.65 59.70 2d87 s ILE 28 Cb -0.14 -4.52 -0.17 0.00 0.01 0.00 0.00 42.46 37.65 2d87 s ILE 28 CO -0.19 -1.16 -0.08 0.00 0.00 0.00 0.00 174.94 173.51 2d87 n GLN 29 N 6.17 0.86 -3.51 2.79 6.02 -1.26 -4.88 117.38 123.57 2d87 n GLN 29 Ca -0.05 0.07 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 2d87 n GLN 29 Cb 0.43 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 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 -5.64 -0.46 -0.31 1.08 4.22 -1.26 -5.04 114.94 107.53 2d87 s ASN 30 Ca -0.20 -0.09 -0.03 0.00 -2.14 0.00 0.00 52.86 50.41 2d87 s ASN 30 Cb 0.06 0.55 0.07 0.00 1.28 0.00 0.00 41.25 43.22 2d87 s ASN 30 CO 0.58 -0.92 2.54 0.49 -2.04 0.00 0.00 177.10 177.76 2d87 n PHE 31 N -0.36 1.27 -0.01 1.54 3.72 -1.26 -3.79 117.46 118.57 2d87 n PHE 31 Ca -0.13 -1.84 -0.04 0.00 -0.05 0.00 0.00 57.45 55.40 2d87 n PHE 31 Cb 0.63 -1.19 -0.01 0.00 -0.94 0.00 0.00 39.48 37.97 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 0.92 1.35 0.00 4.37 2.88 -1.26 -2.01 113.62 119.87 2d87 n SER 32 Ca 0.38 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2d87 n SER 32 Cb 0.61 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -3.80 2.55 -0.45 -3.46 3.41 -1.26 -2.98 113.62 107.63 2d87 n SER 33 Ca -0.05 0.00 0.39 0.00 -0.26 0.00 0.00 58.87 58.94 2d87 n SER 33 Cb 0.20 0.17 0.60 0.00 -0.26 0.00 0.00 64.21 64.92 2d87 n SER 33 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d87 n SER 34 N -1.60 0.00 -0.07 4.04 7.64 -1.25 0.22 113.62 122.60 2d87 n SER 34 Ca 0.00 0.82 -0.15 0.00 1.01 0.00 0.00 58.87 60.55 2d87 n SER 34 Cb 0.28 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 62.98 2d87 n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2d87 n TRP 35 N -3.46 0.45 -0.28 1.43 7.02 -1.26 -4.35 117.44 116.99 2d87 n TRP 35 Ca 0.32 0.12 0.26 0.00 -1.02 0.00 0.00 57.50 57.19 2d87 n TRP 35 Cb 1.67 -1.07 0.48 0.00 -2.42 0.00 0.00 31.31 29.97 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 -3.12 0.25 -0.06 -0.99 3.41 0.60 0.03 113.62 113.74 2d87 n SER 36 Ca -0.34 1.45 -0.14 0.00 -0.26 0.00 0.00 58.87 59.59 2d87 n SER 36 Cb 1.06 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 2d87 n SER 36 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2d87 h ASP 37 N 0.00 -1.66 0.00 4.04 3.04 -1.74 -3.48 116.42 116.62 2d87 h ASP 37 Ca 0.71 0.21 0.00 0.00 -3.24 0.00 0.00 57.03 54.72 2d87 h ASP 37 Cb 1.85 0.67 0.00 0.00 -1.04 0.00 0.00 39.33 40.81 2d87 h ASP 37 CO -0.69 -0.44 0.00 0.61 -2.04 0.00 0.00 179.24 176.68 2d87 n GLY 38 N -1.42 2.49 0.42 7.15 0.00 0.10 -4.40 105.19 109.54 2d87 n GLY 38 Ca -0.04 -0.67 0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.04 -0.07 1.61 2.81 -1.26 -1.01 117.12 119.16 2d87 n MET 39 Ca 0.00 1.24 -0.05 0.00 -1.81 0.00 0.00 57.70 57.07 2d87 n MET 39 Cb 0.00 -2.39 -0.04 0.00 -0.71 0.00 0.00 33.22 30.08 2d87 n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d87 h ALA 40 N 1.63 -0.46 -0.58 3.04 0.00 -1.84 -0.24 119.26 120.81 2d87 h ALA 40 Ca 0.84 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.87 2d87 h ALA 40 Cb 2.60 0.91 -0.11 0.00 0.00 0.00 0.00 17.79 21.19 2d87 h ALA 40 CO -0.52 -0.58 -0.19 0.74 0.00 0.00 0.00 179.25 178.70 2d87 h PHE 41 N -0.14 -0.46 -0.07 0.00 0.04 -1.37 -2.13 116.94 112.80 2d87 h PHE 41 Ca 0.03 0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.88 2d87 h PHE 41 Cb 0.23 0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 2d87 h PHE 41 CO -0.69 -0.29 -0.27 0.00 -0.60 0.00 0.00 178.31 176.45 2d87 h ALA 43 N -0.86 0.20 -0.95 0.00 0.00 -0.58 0.67 119.26 117.73 2d87 h ALA 43 Ca 0.02 0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.39 2d87 h ALA 43 Cb 0.34 0.85 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 2d87 h ALA 43 CO -0.22 -0.58 0.53 1.25 0.00 0.00 0.00 179.25 180.22 2d87 h LEU 44 N -0.05 0.61 0.10 0.00 5.85 -0.77 -1.29 115.31 119.75 2d87 h LEU 44 Ca 0.33 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.16 2d87 h LEU 44 Cb 0.59 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2d87 h LEU 44 CO -0.87 0.15 -0.05 0.58 -0.34 0.00 0.00 178.44 177.92 2d87 h VAL 45 N 0.60 0.00 -0.80 1.05 2.07 0.98 -3.34 116.25 116.81 2d87 h VAL 45 Ca 0.57 -0.68 0.27 0.00 0.82 0.00 0.00 66.70 67.69 2d87 h VAL 45 Cb 0.99 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.61 2d87 h VAL 45 CO -0.44 0.00 0.21 1.57 0.02 0.00 0.00 177.57 178.93 2d87 n HIS 46 N -4.23 0.71 -0.21 1.57 -0.00 0.14 0.14 115.22 113.34 2d87 n HIS 46 Ca -0.02 0.95 0.01 0.00 -0.00 0.00 0.00 57.72 58.67 2d87 n HIS 46 Cb 0.05 -1.23 0.09 0.00 -0.00 0.00 0.00 29.99 28.91 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 -0.38 0.45 0.26 -1.24 -1.35 -0.17 115.58 113.15 2d87 h ASN 47 Ca 0.58 0.17 -0.02 0.00 0.71 0.00 0.00 56.30 57.73 2d87 h ASN 47 Cb 1.38 0.32 0.00 0.00 0.73 0.00 0.00 38.32 40.75 2d87 h ASN 47 CO -0.69 -0.15 -0.22 -0.26 -1.29 0.00 0.00 177.43 174.82 2d87 h PHE 48 N 0.07 -0.56 -3.41 0.67 0.04 0.10 -3.40 116.94 110.46 2d87 h PHE 48 Ca 0.32 -0.01 -0.68 0.00 2.80 0.00 0.00 57.97 60.40 2d87 h PHE 48 Cb 0.52 0.19 -0.37 0.00 2.20 0.00 0.00 35.95 38.48 2d87 h PHE 48 CO -0.42 -0.33 -0.39 -0.06 -0.60 0.00 0.00 178.31 176.51 2d87 s PHE 49 N -3.58 3.47 0.14 -0.55 0.08 -0.87 -4.92 117.98 111.75 2d87 s PHE 49 Ca -0.09 -2.96 -0.11 0.00 0.12 0.00 0.00 56.93 53.88 2d87 s PHE 49 Cb 0.01 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 2d87 s PHE 49 CO 0.28 -0.76 1.48 -1.00 -0.10 0.00 0.00 175.22 175.12 2d87 h PRO 50 N 6.49 0.94 -0.17 0.24 0.13 -1.25 -3.13 132.00 135.25 2d87 h PRO 50 Ca 0.03 -0.50 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2d87 h PRO 50 Cb 0.88 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 2d87 h PRO 50 CO 0.73 1.15 -0.37 1.05 -0.23 0.00 0.00 178.00 180.34 2d87 h GLU 51 N 0.77 0.36 -0.93 0.86 4.11 -1.91 -3.08 114.58 114.75 2d87 h GLU 51 Ca 0.06 -0.16 0.26 0.00 0.07 0.00 0.00 59.36 59.59 2d87 h GLU 51 Cb 0.98 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.08 2d87 h GLU 51 CO 0.09 0.68 0.39 0.00 0.07 0.00 0.00 179.01 180.25 2d87 h ALA 52 N 1.31 1.57 -2.95 1.06 0.00 -1.93 -3.43 119.26 114.89 2d87 h ALA 52 Ca 0.03 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2d87 h ALA 52 Cb 0.79 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 2d87 h ALA 52 CO 0.06 -0.47 0.14 -0.59 0.00 0.00 0.00 179.25 178.39 2d87 s PHE 53 N -5.82 -0.32 0.08 0.00 -0.71 -1.16 -5.00 117.98 105.04 2d87 s PHE 53 Ca -0.11 0.02 -0.10 0.00 -1.04 0.00 0.00 56.93 55.70 2d87 s PHE 53 Cb 0.27 0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 42.55 2d87 s PHE 53 CO 0.78 -0.94 0.40 -0.51 -1.34 0.00 0.00 175.22 173.62 2d87 s ASP 54 N -2.82 6.64 -0.17 1.98 1.11 -1.26 -4.73 116.67 117.42 2d87 s ASP 54 Ca 0.06 0.79 -0.13 0.00 0.18 0.00 0.00 52.55 53.45 2d87 s ASP 54 Cb -0.02 -2.18 -0.06 0.00 1.07 0.00 0.00 42.92 41.73 2d87 s ASP 54 CO -0.06 0.17 -0.16 0.00 1.18 0.00 0.00 175.17 176.29 2d87 n TYR 55 N 0.87 0.72 0.17 4.23 9.36 -1.26 -4.17 117.16 127.08 2d87 n TYR 55 Ca -0.08 0.31 0.19 0.00 3.32 0.00 0.00 57.90 61.64 2d87 n TYR 55 Cb 0.52 -0.78 0.78 0.00 -0.63 0.00 0.00 39.34 39.23 2d87 n TYR 55 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2d87 h GLY 56 N -1.00 0.00 1.25 2.98 0.00 -2.02 0.54 103.07 104.81 2d87 h GLY 56 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2d87 h GLY 56 CO -0.05 0.00 -0.20 1.46 0.00 0.00 0.00 176.54 177.74 2d87 h GLN 57 N 0.00 0.86 -7.34 4.80 4.20 -2.00 -3.44 115.11 112.19 2d87 h GLN 57 Ca 0.13 -0.35 -0.43 0.00 0.06 0.00 0.00 58.65 58.06 2d87 h GLN 57 Cb 0.88 -0.04 0.18 0.00 0.30 0.00 0.00 27.48 28.80 2d87 h GLN 57 CO -0.00 0.99 0.14 -0.51 -0.67 0.00 0.00 178.83 178.78 2d87 s LEU 58 N -8.98 1.07 0.04 1.46 1.43 0.18 -5.08 118.68 108.80 2d87 s LEU 58 Ca -0.10 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2d87 s LEU 58 Cb 0.13 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 2d87 s LEU 58 CO 0.85 -3.69 -0.07 -0.44 0.23 0.00 0.00 176.35 173.23 2d87 s SER 59 N -3.53 0.77 0.09 2.29 0.01 -1.26 -5.04 113.70 107.03 2d87 s SER 59 Ca 0.68 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 2d87 s SER 59 Cb -0.16 0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 2d87 s SER 59 CO 0.58 -0.23 1.40 1.55 0.41 0.00 0.00 173.24 176.95 2d87 h PRO 60 N 4.45 0.63 -0.71 12.44 0.13 -1.98 -3.04 132.00 143.92 2d87 h PRO 60 Ca -0.35 -0.33 0.21 0.00 -0.87 0.00 0.00 66.00 64.65 2d87 h PRO 60 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2d87 h PRO 60 CO 0.42 0.93 0.60 1.96 -0.23 0.00 0.00 178.00 181.68 2d87 h GLN 61 N 0.34 0.00 -6.16 0.86 7.50 -1.97 -3.35 115.11 112.33 2d87 h GLN 61 Ca 0.04 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.66 2d87 h GLN 61 Cb 0.82 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.27 2d87 h GLN 61 CO 0.06 0.00 1.21 -0.80 -1.50 0.00 0.00 178.83 177.81 2d87 s ASN 62 N -5.36 6.04 0.47 1.46 0.01 -1.15 -4.80 114.94 111.62 2d87 s ASN 62 Ca -0.05 -0.70 0.27 0.00 -0.71 0.00 0.00 52.86 51.68 2d87 s ASN 62 Cb 0.19 -2.56 0.78 0.00 0.41 0.00 0.00 41.25 40.07 2d87 s ASN 62 CO 0.66 -1.90 1.77 0.03 -1.51 0.00 0.00 177.10 176.15 2d87 h ARG 63 N 10.76 0.00 0.00 -0.60 3.08 -1.77 -3.17 114.38 122.68 2d87 h ARG 63 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2d87 h ARG 63 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2d87 h ARG 63 CO 1.31 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 183.10 2d87 n ARG 64 N -3.05 0.00 -0.23 0.04 0.00 -1.26 -4.21 116.66 107.95 2d87 n ARG 64 Ca 0.03 0.05 0.12 0.00 -0.00 0.00 0.00 57.85 58.05 2d87 n ARG 64 Cb 0.43 -0.33 0.24 0.00 -0.00 0.00 0.00 32.46 32.79 2d87 n ARG 64 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2d87 n GLN 65 N -1.76 -0.05 -0.14 2.89 7.27 -1.26 0.18 117.38 124.50 2d87 n GLN 65 Ca 0.00 1.00 -0.04 0.00 0.07 0.00 0.00 57.00 58.03 2d87 n GLN 65 Cb 0.00 -1.62 0.03 0.00 2.41 0.00 0.00 30.24 31.05 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 -0.43 0.11 1.69 2.35 -1.78 0.20 115.58 117.72 2d87 h ASN 66 Ca 0.44 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 56.32 2d87 h ASN 66 Cb 0.97 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2d87 h ASN 66 CO -0.62 -0.15 -0.05 -0.26 -1.65 0.00 0.00 177.43 174.70 2d87 h PHE 67 N -0.00 -0.14 -0.38 1.19 -1.00 0.17 -2.84 116.94 113.94 2d87 h PHE 67 Ca 0.22 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.07 2d87 h PHE 67 Cb 0.34 0.05 -0.09 0.00 3.61 0.00 0.00 35.95 39.85 2d87 h PHE 67 CO -0.40 0.30 -0.35 0.93 -1.61 0.00 0.00 178.31 177.18 2d87 h GLU 68 N -0.64 -0.27 -0.23 1.51 4.39 -0.87 -0.45 114.58 118.01 2d87 h GLU 68 Ca -0.02 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2d87 h GLU 68 Cb 0.50 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.15 2d87 h GLU 68 CO 0.03 -0.18 -0.22 0.28 -1.16 0.00 0.00 179.01 177.75 2d87 h VAL 69 N -0.29 0.44 -0.90 3.13 2.07 -0.68 0.23 116.25 120.25 2d87 h VAL 69 Ca 0.16 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.82 2d87 h VAL 69 Cb 0.55 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 2d87 h VAL 69 CO -0.53 0.00 0.51 0.00 0.02 0.00 0.00 177.57 177.57 2d87 h ALA 70 N 0.85 1.39 0.17 1.67 0.00 -1.06 0.31 119.26 122.58 2d87 h ALA 70 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2d87 h ALA 70 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2d87 h ALA 70 CO -0.37 -0.00 -0.08 0.74 0.00 0.00 0.00 179.25 179.54 2d87 h PHE 71 N 0.74 -0.21 -0.11 0.00 0.04 0.14 -3.23 116.94 114.31 2d87 h PHE 71 Ca 0.48 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.28 2d87 h PHE 71 Cb 0.64 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.80 2d87 h PHE 71 CO -0.05 -0.13 -0.54 0.77 -0.60 0.00 0.00 178.31 177.75 2d87 h SER 72 N -0.41 -1.70 -0.73 2.17 0.02 -0.50 -0.73 113.55 111.67 2d87 h SER 72 Ca -0.02 0.20 0.24 0.00 -0.84 0.00 0.00 61.79 61.36 2d87 h SER 72 Cb 0.17 0.66 -0.13 0.00 0.14 0.00 0.00 62.40 63.24 2d87 h SER 72 CO 0.04 -0.49 0.15 -1.54 -1.14 0.00 0.00 176.83 173.85 2d87 n SER 73 N -5.40 0.04 -0.02 3.07 3.41 0.11 0.13 113.62 114.96 2d87 n SER 73 Ca -0.06 1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 59.64 2d87 n SER 73 Cb 0.38 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.45 0.02 -0.65 7.33 0.00 -1.17 -3.05 119.26 123.18 2d87 h ALA 74 Ca 0.50 -0.28 0.19 0.00 0.00 0.00 0.00 54.91 55.33 2d87 h ALA 74 Cb 1.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2d87 h ALA 74 CO -0.64 -0.20 0.71 1.49 0.00 0.00 0.00 179.25 180.62 2d87 h GLU 75 N -0.48 0.00 0.00 0.00 4.22 0.19 0.87 114.58 119.38 2d87 h GLU 75 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2d87 h GLU 75 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2d87 h GLU 75 CO 0.00 0.00 0.00 2.41 -2.18 0.00 0.00 179.01 179.24 2d87 n THR 76 N -3.59 0.00 0.01 0.32 -1.04 -0.60 -2.11 114.28 107.27 2d87 n THR 76 Ca 0.13 1.36 0.06 0.00 -2.04 0.00 0.00 64.05 63.56 2d87 n THR 76 Cb 0.94 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.33 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 -2.15 0.00 0.29 -1.42 1.44 -1.04 -4.47 115.22 107.88 2d87 n HIS 77 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 2d87 n HIS 77 Cb 0.00 -0.24 0.16 0.00 0.12 0.00 0.00 29.99 30.03 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 1.02 0.81 -6.91 1.59 0.00 0.60 -3.48 119.26 112.90 2d87 h ALA 78 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2d87 h ALA 78 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.12 2d87 h ALA 78 CO 0.00 0.00 -0.95 -3.47 0.00 0.00 0.00 179.25 174.83 2d87 n ASP 79 N -2.73 0.58 -4.75 0.00 2.03 -0.90 -4.82 116.55 105.96 2d87 n ASP 79 Ca 0.03 -1.20 -0.40 0.00 0.52 0.00 0.00 54.79 53.74 2d87 n ASP 79 Cb 0.51 -2.03 -0.05 0.00 -0.72 0.00 0.00 41.12 38.83 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 -0.38 4.22 -0.48 0.00 0.04 -1.26 -4.59 135.00 132.54 2d87 s PRO 81 Ca 0.41 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 2d87 s PRO 81 Cb -0.23 -3.81 -0.00 0.00 0.04 0.00 0.00 34.50 30.50 2d87 s PRO 81 CO 0.27 -0.74 1.61 -0.65 0.04 0.00 0.00 177.00 177.53 2d87 s GLN 82 N 3.43 3.22 -0.16 4.56 -0.21 -1.26 -4.84 119.66 124.40 2d87 s GLN 82 Ca 0.67 0.83 -0.14 0.00 0.02 0.00 0.00 55.36 56.74 2d87 s GLN 82 Cb -0.30 -4.18 -0.05 0.00 1.00 0.00 0.00 33.01 29.48 2d87 s GLN 82 CO 0.25 -2.01 -0.28 1.28 -2.12 0.00 0.00 175.29 172.41 2d87 n LEU 83 N 10.27 1.84 -4.69 2.90 4.77 -1.26 -4.98 117.00 125.85 2d87 n LEU 83 Ca 0.18 0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 56.27 2d87 n LEU 83 Cb 0.49 -0.78 0.14 0.00 -2.33 0.00 0.00 43.42 40.94 2d87 n LEU 83 CO 0.70 -0.35 0.73 -0.76 -1.33 0.00 0.00 177.39 176.38 2d87 s LEU 84 N -7.95 3.02 -0.37 2.23 1.43 -1.26 -5.01 118.68 110.79 2d87 s LEU 84 Ca -0.23 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 2d87 s LEU 84 Cb 0.03 -4.58 0.11 0.00 0.03 0.00 0.00 46.19 41.78 2d87 s LEU 84 CO 0.34 -2.79 0.09 -1.81 0.23 0.00 0.00 176.35 172.41 2d87 s ASP 85 N -2.44 4.62 0.26 2.29 1.01 -1.26 -4.98 116.67 116.17 2d87 s ASP 85 Ca 0.70 -2.26 -0.03 0.00 0.71 0.00 0.00 52.55 51.67 2d87 s ASP 85 Cb -0.25 -1.56 0.54 0.00 1.01 0.00 0.00 42.92 42.66 2d87 s ASP 85 CO 0.53 -0.36 1.64 0.74 0.21 0.00 0.00 175.17 177.93 2d87 h THR 86 N 6.41 0.32 -0.85 -1.27 2.02 -1.96 0.77 112.91 118.36 2d87 h THR 86 Ca -0.05 -0.05 0.19 0.00 0.77 0.00 0.00 66.41 67.27 2d87 h THR 86 Cb 1.00 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2d87 h THR 86 CO 0.54 0.03 0.57 1.05 0.37 0.00 0.00 175.52 178.08 2d87 h GLU 87 N 0.14 0.33 0.00 6.66 4.11 -1.97 0.11 114.58 123.97 2d87 h GLU 87 Ca 0.47 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.66 2d87 h GLU 87 Cb 0.88 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2d87 h GLU 87 CO -0.67 0.22 -1.64 -3.47 0.07 0.00 0.00 179.01 173.53 2d87 n ASP 88 N -4.47 0.73 -0.15 3.06 -0.08 0.21 -4.07 116.55 111.78 2d87 n ASP 88 Ca 0.18 0.33 -0.10 0.00 -1.51 0.00 0.00 54.79 53.68 2d87 n ASP 88 Cb 0.68 0.27 0.03 0.00 2.34 0.00 0.00 41.12 44.44 2d87 n ASP 88 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 2d87 h MET 89 N 0.00 0.97 0.36 -0.67 2.86 0.20 -1.24 114.93 117.42 2d87 h MET 89 Ca -0.24 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.00 2d87 h MET 89 Cb 1.76 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.37 2d87 h MET 89 CO 0.05 1.06 -0.19 0.28 1.06 0.00 0.00 176.91 179.16 2d87 h VAL 90 N 0.85 0.00 -0.62 -2.22 2.07 -1.04 -3.16 116.25 112.13 2d87 h VAL 90 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 2d87 h VAL 90 Cb 0.74 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2d87 h VAL 90 CO 0.06 0.00 0.28 0.08 0.02 0.00 0.00 177.57 178.01 2d87 h ARG 91 N -0.51 0.49 -6.39 1.57 0.11 -1.71 -3.43 114.38 104.52 2d87 h ARG 91 Ca -0.05 -0.03 -0.62 0.00 0.10 0.00 0.00 59.98 59.38 2d87 h ARG 91 Cb 0.40 -0.11 0.10 0.00 1.11 0.00 0.00 29.97 31.47 2d87 h ARG 91 CO 0.07 0.32 0.08 1.28 0.10 0.00 0.00 179.97 181.82 2d87 n LEU 92 N -4.92 1.39 -0.16 0.08 4.77 -0.47 -4.85 117.00 112.84 2d87 n LEU 92 Ca 0.08 1.17 0.01 0.00 -0.03 0.00 0.00 56.01 57.24 2d87 n LEU 92 Cb 0.23 -1.23 0.28 0.00 -2.33 0.00 0.00 43.42 40.37 2d87 n LEU 92 CO 0.25 -1.56 1.21 0.03 -1.33 0.00 0.00 177.39 175.99 2d87 h ARG 93 N 2.15 0.88 -1.49 3.23 -0.00 -1.84 -3.45 114.38 113.86 2d87 h ARG 93 Ca -0.39 -0.06 0.09 0.00 -0.50 0.00 0.00 59.98 59.13 2d87 h ARG 93 Cb 1.35 -0.19 -0.26 0.00 0.00 0.00 0.00 29.97 30.86 2d87 h ARG 93 CO 0.62 0.59 0.56 -1.83 0.00 0.00 0.00 179.97 179.91 2d87 s GLU 94 N -5.74 0.44 -0.24 0.04 -1.05 -1.26 -5.04 118.70 105.86 2d87 s GLU 94 Ca -0.10 0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 54.80 2d87 s GLU 94 Cb 0.18 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2d87 s GLU 94 CO 0.77 -0.08 1.62 -1.25 0.95 0.00 0.00 175.26 177.27 2d87 s PRO 95 N -0.21 3.75 0.19 -4.83 0.04 -1.16 -4.95 135.00 127.82 2d87 s PRO 95 Ca 0.03 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 2d87 s PRO 95 Cb -0.04 -4.05 -0.12 0.00 0.04 0.00 0.00 34.50 30.33 2d87 s PRO 95 CO -0.06 -1.35 1.70 -0.25 0.04 0.00 0.00 177.00 177.09 2d87 n ASP 96 N 8.60 3.79 -0.30 6.66 8.00 -1.26 -4.22 116.55 137.81 2d87 n ASP 96 Ca 0.19 1.06 0.13 0.00 0.71 0.00 0.00 54.79 56.88 2d87 n ASP 96 Cb 0.45 -1.54 0.31 0.00 -0.02 0.00 0.00 41.12 40.33 2d87 n ASP 96 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2d87 h TRP 97 N 6.73 0.61 -0.98 1.24 5.08 -1.74 0.26 115.95 127.16 2d87 h TRP 97 Ca -0.44 0.04 0.23 0.00 1.08 0.00 0.00 58.89 59.80 2d87 h TRP 97 Cb 1.22 -0.13 -0.12 0.00 -3.00 0.00 0.00 29.16 27.13 2d87 h TRP 97 CO 0.65 -0.08 0.55 0.87 -1.28 0.00 0.00 178.44 179.15 2d87 h LYS 98 N 0.37 0.55 0.12 0.12 1.57 -1.89 0.23 116.57 117.63 2d87 h LYS 98 Ca 0.56 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.30 2d87 h LYS 98 Cb 1.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2d87 h LYS 98 CO -0.55 0.37 -0.06 0.00 -0.57 0.00 0.00 179.45 178.64 2d87 h VAL 100 N -0.65 0.06 -0.95 0.00 2.07 -1.14 0.24 116.25 115.88 2d87 h VAL 100 Ca -0.02 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.79 2d87 h VAL 100 Cb 0.12 0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 29.79 2d87 h VAL 100 CO 0.03 0.00 0.35 0.22 0.02 0.00 0.00 177.57 178.19 2d87 h TYR 101 N -0.19 0.54 -0.17 1.57 5.03 -0.72 0.66 116.97 123.70 2d87 h TYR 101 Ca 0.18 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.59 2d87 h TYR 101 Cb 0.55 -0.08 -0.07 0.00 1.55 0.00 0.00 36.73 38.68 2d87 h TYR 101 CO -0.77 -0.26 -0.32 1.15 -1.32 0.00 0.00 178.16 176.63 2d87 h THR 102 N 0.19 0.28 0.69 1.81 2.02 -0.54 -1.52 112.91 115.85 2d87 h THR 102 Ca 0.65 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.81 2d87 h THR 102 Cb 1.45 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2d87 h THR 102 CO -0.69 0.00 -0.49 0.22 0.37 0.00 0.00 175.52 174.93 2d87 h TYR 103 N -0.37 -1.32 -0.99 3.16 3.20 -0.80 -0.19 116.97 119.66 2d87 h TYR 103 Ca 0.11 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.19 2d87 h TYR 103 Cb 0.54 0.48 -0.19 0.00 1.54 0.00 0.00 36.73 39.11 2d87 h TYR 103 CO -0.42 -0.71 -0.17 0.82 -1.64 0.00 0.00 178.16 176.05 2d87 h ILE 104 N -1.13 0.01 -0.04 1.81 1.08 -1.21 0.34 117.51 118.38 2d87 h ILE 104 Ca -0.09 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 2d87 h ILE 104 Cb 0.93 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2d87 h ILE 104 CO 0.05 0.00 0.00 -0.61 -0.69 0.00 0.00 178.15 176.91 2d87 h GLN 105 N 0.00 0.07 0.30 2.37 5.75 -0.99 -1.22 115.11 121.40 2d87 h GLN 105 Ca 0.51 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 2d87 h GLN 105 Cb 0.87 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 2d87 h GLN 105 CO -0.99 0.32 -0.43 1.49 -2.65 0.00 0.00 178.83 176.57 2d87 h GLU 106 N -0.19 -0.76 0.11 1.69 4.57 0.14 -2.04 114.58 118.09 2d87 h GLU 106 Ca 0.01 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2d87 h GLU 106 Cb 0.29 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 2d87 h GLU 106 CO 0.00 -0.51 -0.29 0.35 -1.18 0.00 0.00 179.01 177.38 2d87 h PHE 107 N -0.79 -0.80 -0.90 0.92 3.57 -0.56 -2.44 116.94 115.95 2d87 h PHE 107 Ca -0.02 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.68 2d87 h PHE 107 Cb 0.74 0.34 -0.17 0.00 2.79 0.00 0.00 35.95 39.65 2d87 h PHE 107 CO -0.29 -0.40 -0.23 -0.92 -2.23 0.00 0.00 178.31 174.24 2d87 h TYR 108 N -0.51 -0.50 -0.97 0.41 3.20 -1.04 0.88 116.97 118.45 2d87 h TYR 108 Ca 0.03 0.08 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2d87 h TYR 108 Cb 0.54 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 2d87 h TYR 108 CO -0.27 -0.39 0.61 -0.09 -1.64 0.00 0.00 178.16 176.38 2d87 h ARG 109 N -0.00 0.75 0.12 1.82 2.43 -0.88 -1.18 114.38 117.43 2d87 h ARG 109 Ca 0.43 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 2d87 h ARG 109 Cb 0.65 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2d87 h ARG 109 CO -0.92 0.49 -0.06 0.00 -1.51 0.00 0.00 179.97 177.97 2d87 h LEU 111 N -0.53 -1.41 -0.95 0.00 3.38 -0.51 0.16 115.31 115.45 2d87 h LEU 111 Ca -0.02 0.14 0.32 0.00 0.09 0.00 0.00 57.88 58.41 2d87 h LEU 111 Cb 0.43 0.50 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 2d87 h LEU 111 CO 0.03 -0.55 0.24 0.52 0.09 0.00 0.00 178.44 178.76 2d87 n VAL 112 N -5.24 -0.40 -0.01 1.22 0.31 -0.52 0.10 118.33 113.78 2d87 n VAL 112 Ca -0.09 2.02 -0.17 0.00 -0.01 0.00 0.00 64.34 66.09 2d87 n VAL 112 Cb 0.40 -3.09 -0.09 0.00 -0.91 0.00 0.00 33.84 30.15 2d87 n VAL 112 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2d87 h GLN 113 N 0.00 0.62 -0.71 5.55 4.20 -1.28 -3.20 115.11 120.29 2d87 h GLN 113 Ca 0.68 -0.54 0.07 0.00 0.06 0.00 0.00 58.65 58.93 2d87 h GLN 113 Cb 1.61 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.47 2d87 h GLN 113 CO -0.82 1.16 0.46 0.87 -0.67 0.00 0.00 178.83 179.83 2d87 h LYS 114 N 0.26 0.66 0.00 1.46 1.79 0.36 -3.46 116.57 117.64 2d87 h LYS 114 Ca -0.06 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2d87 h LYS 114 Cb 1.32 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2d87 h LYS 114 CO 0.14 0.44 0.00 0.41 -1.08 0.00 0.00 179.45 179.35 2d87 n GLY 115 N -1.46 1.92 0.13 3.86 0.00 0.31 -5.04 105.19 104.92 2d87 n GLY 115 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 2.85 -4.70 0.99 4.77 -1.15 -4.94 117.00 114.82 2d87 n LEU 116 Ca 0.00 -0.08 -0.36 0.00 -0.03 0.00 0.00 56.01 55.54 2d87 n LEU 116 Cb 0.00 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.22 2d87 n LEU 116 CO 0.00 0.84 -0.14 -0.69 -1.33 0.00 0.00 177.39 176.07 2d87 s VAL 117 N -2.45 5.37 0.49 4.08 1.01 -1.26 -4.99 120.40 122.65 2d87 s VAL 117 Ca -0.31 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2d87 s VAL 117 Cb 0.08 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2d87 s VAL 117 CO 0.51 0.38 1.16 -0.75 0.00 0.00 0.00 175.10 176.41 2d87 s LYS 118 N 0.72 3.58 -0.84 2.72 2.47 -1.26 -4.52 119.74 122.62 2d87 s LYS 118 Ca 0.09 1.74 -0.23 0.00 -1.56 0.00 0.00 55.97 56.02 2d87 s LYS 118 Cb -0.12 -2.26 -0.18 0.00 -1.46 0.00 0.00 37.83 33.81 2d87 s LYS 118 CO 0.02 -0.69 2.33 2.41 0.16 0.00 0.00 175.35 179.57 2d87 n THR 119 N -0.80 0.00 -2.46 3.43 -1.04 -1.26 -4.65 114.28 107.51 2d87 n THR 119 Ca 0.09 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.05 61.51 2d87 n THR 119 Cb 0.49 -1.61 0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2d87 n THR 119 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2d87 n LYS 120 N 8.11 2.61 -3.94 -2.82 4.81 -1.26 -5.08 118.16 120.59 2d87 n LYS 120 Ca 0.50 -3.83 -0.21 0.00 -0.87 0.00 0.00 58.31 53.89 2d87 n LYS 120 Cb 0.38 -1.91 -0.04 0.00 0.02 0.00 0.00 35.03 33.48 2d87 n LYS 120 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2d87 s LYS 121 N -3.67 2.78 0.00 1.64 -2.85 -1.26 -5.04 119.74 111.34 2d87 s LYS 121 Ca 0.38 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2d87 s LYS 121 Cb 0.37 -2.50 0.00 0.00 -2.06 0.00 0.00 37.83 33.64 2d87 s LYS 121 CO -0.01 0.21 0.00 0.43 0.10 0.00 0.00 175.35 176.08 2d87 n SER 122 N -1.29 1.41 -4.09 0.03 7.64 -1.26 -5.10 113.62 110.96 2d87 n SER 122 Ca -0.04 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.53 2d87 n SER 122 Cb 0.59 0.03 0.14 0.00 -1.01 0.00 0.00 64.21 63.96 2d87 n SER 122 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d87 n SER 123 N -1.69 -2.60 0.00 6.43 7.64 -1.26 -5.03 113.62 117.10 2d87 n SER 123 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2d87 n SER 123 Cb 0.17 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2d87 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d87 n GLY 124 N 2.39 4.15 0.19 0.23 0.00 -1.26 -5.04 105.19 105.85 2d87 n GLY 124 Ca 0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 2d87 n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d87 h PRO 125 N 0.00 0.28 -6.61 1.61 0.13 -2.07 -3.45 132.00 121.89 2d87 h PRO 125 Ca 0.00 -0.14 -0.59 0.00 -0.87 0.00 0.00 66.00 64.40 2d87 h PRO 125 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.24 2d87 h PRO 125 CO 0.00 0.68 0.38 0.43 -0.23 0.00 0.00 178.00 179.26 2d87 n SER 126 N -3.99 2.18 -4.80 1.44 7.64 -1.26 -4.99 113.62 109.85 2d87 n SER 126 Ca -0.02 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 60.83 2d87 n SER 126 Cb 0.52 -1.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 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 -0.29 5.12 0.00 6.43 0.15 -1.26 -5.14 113.70 118.70 2d87 s SER 127 Ca 0.59 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2d87 s SER 127 Cb -0.64 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2d87 s SER 127 CO 0.59 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.41