#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 6.14 -0.48 1.61 0.01 -1.26 -5.07 113.70 114.65 2d87 s SER 2 Ca 0.00 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 2d87 s SER 2 Cb 0.00 -1.91 0.10 0.00 0.21 0.00 0.00 66.02 64.42 2d87 s SER 2 CO 0.00 0.34 0.38 -0.44 0.41 0.00 0.00 173.24 173.93 2d87 s SER 3 N -1.38 5.90 0.00 2.44 0.01 -1.26 -4.62 113.70 114.79 2d87 s SER 3 Ca 0.20 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.78 2d87 s SER 3 Cb -0.12 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2d87 s SER 3 CO 0.10 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2d87 n GLY 4 N 5.06 0.71 2.99 3.44 0.00 -1.26 -5.15 105.19 110.97 2d87 n GLY 4 Ca -0.11 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 2d87 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d87 s SER 5 N -1.16 0.55 -0.74 1.61 0.01 -1.26 -5.07 113.70 107.64 2d87 s SER 5 Ca 0.00 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2d87 s SER 5 Cb 0.00 0.02 0.35 0.00 0.21 0.00 0.00 66.02 66.60 2d87 s SER 5 CO 0.00 -0.12 1.44 -1.20 0.41 0.00 0.00 173.24 173.76 2d87 n SER 6 N 2.11 5.95 -0.35 2.44 7.64 -1.26 -4.79 113.62 125.36 2d87 n SER 6 Ca -0.19 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 55.97 2d87 n SER 6 Cb 0.56 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2d87 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d87 n GLY 7 N -0.29 3.85 0.20 0.23 0.00 -1.26 -5.00 105.19 102.93 2d87 n GLY 7 Ca 0.41 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.11 0.01 0.06 -0.61 5.41 -1.26 -3.53 119.36 119.33 2d87 n ILE 8 Ca 0.00 -0.11 -0.09 0.00 1.00 0.00 0.00 62.75 63.55 2d87 n ILE 8 Cb 0.00 -0.08 -0.13 0.00 -0.71 0.00 0.00 39.64 38.72 2d87 n ILE 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2d87 h LYS 9 N 0.97 0.06 0.00 0.38 3.11 -1.94 -3.18 116.57 115.97 2d87 h LYS 9 Ca 0.00 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 2d87 h LYS 9 Cb 0.21 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 2d87 h LYS 9 CO 0.00 1.01 -0.07 1.96 -2.81 0.00 0.00 179.45 179.54 2d87 h GLN 10 N 0.02 0.00 -1.07 1.90 1.08 -1.86 -3.25 115.11 111.92 2d87 h GLN 10 Ca -0.06 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.42 2d87 h GLN 10 Cb 1.84 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 29.17 2d87 h GLN 10 CO 0.14 0.41 0.69 0.00 -0.95 0.00 0.00 178.83 179.11 2d87 h MET 11 N -1.00 0.35 -0.52 1.46 -0.00 -1.73 0.26 114.93 113.75 2d87 h MET 11 Ca -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.64 2d87 h MET 11 Cb 0.44 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 2d87 h MET 11 CO -0.01 0.23 0.22 -0.07 -0.00 0.00 0.00 176.91 177.28 2d87 h LEU 12 N 0.36 0.70 -0.30 -0.10 3.38 -1.66 0.15 115.31 117.84 2d87 h LEU 12 Ca 0.62 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.36 2d87 h LEU 12 Cb 1.61 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2d87 h LEU 12 CO -0.31 0.67 -0.08 0.25 0.09 0.00 0.00 178.44 179.07 2d87 h LEU 13 N 0.69 0.59 -1.29 1.67 5.85 -0.59 -0.22 115.31 122.01 2d87 h LEU 13 Ca 0.17 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2d87 h LEU 13 Cb 0.18 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2d87 h LEU 13 CO -0.02 0.82 -0.34 0.44 -0.34 0.00 0.00 178.44 179.01 2d87 h ASP 14 N 0.35 0.03 0.14 1.25 5.19 -1.05 -3.16 116.42 119.16 2d87 h ASP 14 Ca 0.08 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2d87 h ASP 14 Cb 0.56 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2d87 h ASP 14 CO 0.03 0.36 -0.06 -0.25 -3.12 0.00 0.00 179.24 176.20 2d87 h TRP 15 N 0.02 -0.17 -0.90 4.55 7.01 -0.52 -3.21 115.95 122.74 2d87 h TRP 15 Ca 0.00 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.16 2d87 h TRP 15 Cb 0.61 0.06 -0.16 0.00 -2.10 0.00 0.00 29.16 27.57 2d87 h TRP 15 CO 0.00 0.20 -0.29 0.00 -2.79 0.00 0.00 178.44 175.57 2d87 h ARG 17 N 0.00 -0.85 -0.95 0.00 3.08 -1.66 0.08 114.38 114.08 2d87 h ARG 17 Ca 0.37 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.68 2d87 h ARG 17 Cb 0.60 0.19 -0.18 0.00 0.08 0.00 0.00 29.97 30.66 2d87 h ARG 17 CO -0.91 -0.56 -0.20 0.00 -1.07 0.00 0.00 179.97 177.23 2d87 n ALA 18 N -2.78 0.27 0.15 0.04 0.00 0.46 0.21 120.51 118.87 2d87 n ALA 18 Ca -0.11 1.05 -0.00 0.00 0.00 0.00 0.00 53.44 54.38 2d87 n ALA 18 Cb 0.42 -0.65 0.23 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.61 0.00 1.79 -1.00 -2.69 116.57 114.05 2d87 h LYS 19 Ca 0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 2d87 h LYS 19 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2d87 h LYS 19 CO -0.97 0.54 0.00 2.41 -1.08 0.00 0.00 179.45 180.35 2d87 n THR 20 N -3.89 1.29 -2.65 -0.16 -1.04 0.58 -4.82 114.28 103.60 2d87 n THR 20 Ca -0.01 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.05 60.76 2d87 n THR 20 Cb 0.55 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 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 -1.77 3.33 0.00 -2.82 0.52 0.20 -3.63 118.95 114.78 2d87 s ARG 21 Ca 0.35 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2d87 s ARG 21 Cb 0.23 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2d87 s ARG 21 CO 0.17 -1.82 0.00 0.41 0.02 0.00 0.00 175.30 174.07 2d87 n GLY 22 N 5.21 1.04 3.85 -3.53 0.00 -1.26 -5.05 105.19 105.45 2d87 n GLY 22 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2d87 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d87 s TYR 23 N 0.00 2.08 0.38 1.61 1.51 -1.24 -5.10 117.35 116.59 2d87 s TYR 23 Ca 0.00 0.59 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 2d87 s TYR 23 Cb 0.00 -3.70 -0.07 0.00 -0.11 0.00 0.00 41.96 38.09 2d87 s TYR 23 CO 0.00 -2.47 -0.01 -2.00 -1.11 0.00 0.00 175.55 169.96 2d87 s GLU 24 N -5.60 1.95 -1.55 -0.62 2.12 -1.26 -4.72 118.70 109.02 2d87 s GLU 24 Ca 0.68 -1.97 -0.15 0.00 0.36 0.00 0.00 54.97 53.89 2d87 s GLU 24 Cb -0.09 -1.74 0.11 0.00 0.26 0.00 0.00 34.13 32.67 2d87 s GLU 24 CO 0.52 0.04 0.80 0.72 -0.54 0.00 0.00 175.26 176.80 2d87 n HIS 25 N -0.93 -1.97 -3.98 5.30 8.25 -1.26 -4.95 115.22 115.69 2d87 n HIS 25 Ca -0.05 0.76 -0.12 0.00 -0.26 0.00 0.00 57.72 58.05 2d87 n HIS 25 Cb 0.65 -3.34 -0.13 0.00 1.12 0.00 0.00 29.99 28.29 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 -3.20 0.18 -0.30 1.59 1.01 -1.26 -4.88 120.40 113.54 2d87 s VAL 26 Ca 0.64 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 2d87 s VAL 26 Cb -0.34 -0.21 0.18 0.00 0.00 0.00 0.00 36.38 36.02 2d87 s VAL 26 CO 0.79 -0.13 0.68 1.51 0.00 0.00 0.00 175.10 177.94 2d87 s ASP 27 N -0.54 -1.22 -0.64 3.32 -4.77 -1.26 -5.07 116.67 106.48 2d87 s ASP 27 Ca -0.04 0.86 -0.18 0.00 -3.30 0.00 0.00 52.55 49.89 2d87 s ASP 27 Cb -0.04 2.06 0.13 0.00 -1.09 0.00 0.00 42.92 43.98 2d87 s ASP 27 CO -0.00 -0.23 0.71 -0.63 0.70 0.00 0.00 175.17 175.72 2d87 s ILE 28 N 2.87 4.99 -0.07 2.11 1.01 -1.26 -4.80 121.20 126.05 2d87 s ILE 28 Ca 0.15 -1.34 0.16 0.00 0.00 0.00 0.00 60.65 59.62 2d87 s ILE 28 Cb -0.14 -4.49 -0.23 0.00 0.01 0.00 0.00 42.46 37.61 2d87 s ILE 28 CO -0.19 -1.10 0.25 0.00 0.00 0.00 0.00 174.94 173.90 2d87 n GLN 29 N 5.84 0.86 -3.58 2.79 1.13 -1.26 -4.91 117.38 118.24 2d87 n GLN 29 Ca -0.04 -0.10 -0.05 0.00 -1.94 0.00 0.00 57.00 54.86 2d87 n GLN 29 Cb 0.43 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.36 2d87 n GLN 29 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2d87 s ASN 30 N -4.27 -0.18 -0.17 1.08 6.03 -1.26 -5.02 114.94 111.15 2d87 s ASN 30 Ca -0.07 0.04 -0.00 0.00 -1.03 0.00 0.00 52.86 51.80 2d87 s ASN 30 Cb 0.08 0.18 0.14 0.00 -3.03 0.00 0.00 41.25 38.63 2d87 s ASN 30 CO 0.67 -0.28 1.81 0.49 -2.03 0.00 0.00 177.10 177.76 2d87 n PHE 31 N 0.01 0.88 -0.04 1.54 3.72 -1.26 -3.77 117.46 118.54 2d87 n PHE 31 Ca -0.02 -1.38 -0.04 0.00 -0.05 0.00 0.00 57.45 55.97 2d87 n PHE 31 Cb 0.59 -0.68 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.63 0.83 0.00 4.37 2.88 -1.26 -2.75 113.62 118.32 2d87 n SER 32 Ca 0.17 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2d87 n SER 32 Cb 0.62 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2d87 n SER 32 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d87 n SER 33 N -3.34 2.94 -0.43 -3.46 2.88 -1.26 -3.15 113.62 107.81 2d87 n SER 33 Ca -0.06 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 57.83 2d87 n SER 33 Cb 0.22 0.28 0.58 0.00 -0.75 0.00 0.00 64.21 64.53 2d87 n SER 33 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d87 n SER 34 N -1.44 0.13 0.01 -3.46 7.64 -1.25 0.21 113.62 115.47 2d87 n SER 34 Ca 0.00 1.06 -0.19 0.00 1.01 0.00 0.00 58.87 60.75 2d87 n SER 34 Cb 0.30 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 2d87 n SER 34 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2d87 h TRP 35 N 0.00 0.40 -1.40 1.43 4.06 -1.86 -3.36 115.95 115.22 2d87 h TRP 35 Ca 0.73 -0.29 0.44 0.00 2.06 0.00 0.00 58.89 61.83 2d87 h TRP 35 Cb 2.48 -0.02 -0.10 0.00 -1.00 0.00 0.00 29.16 30.52 2d87 h TRP 35 CO -0.00 1.62 0.96 -1.13 -3.56 0.00 0.00 178.44 176.33 2d87 n SER 36 N -3.40 0.10 0.07 -3.49 3.41 0.57 0.26 113.62 111.14 2d87 n SER 36 Ca -0.28 1.03 -0.14 0.00 -0.26 0.00 0.00 58.87 59.22 2d87 n SER 36 Cb 1.05 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.35 0.00 4.04 5.19 -1.68 -3.48 116.42 119.14 2d87 h ASP 37 Ca 0.77 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 57.34 2d87 h ASP 37 Cb 2.77 0.52 0.00 0.00 0.18 0.00 0.00 39.33 42.80 2d87 h ASP 37 CO -0.22 -0.48 0.00 0.61 -3.12 0.00 0.00 179.24 176.03 2d87 n GLY 38 N -1.46 2.06 0.29 2.75 0.00 0.14 -4.51 105.19 104.46 2d87 n GLY 38 Ca -0.06 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.09 1.61 2.81 -1.26 -1.25 117.12 118.88 2d87 n MET 39 Ca 0.00 1.26 -0.02 0.00 -1.81 0.00 0.00 57.70 57.12 2d87 n MET 39 Cb 0.00 -2.07 -0.02 0.00 -0.71 0.00 0.00 33.22 30.42 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 -2.98 -0.13 -0.14 3.04 0.00 -1.26 0.29 120.51 119.32 2d87 n ALA 40 Ca 0.24 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.82 2d87 n ALA 40 Cb 0.79 0.22 0.04 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.05 -0.48 0.00 0.04 -1.47 -1.19 116.94 113.79 2d87 h PHE 41 Ca 0.03 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.93 2d87 h PHE 41 Cb 0.09 0.09 -0.09 0.00 2.20 0.00 0.00 35.95 38.23 2d87 h PHE 41 CO -0.68 -0.11 -0.13 0.00 -0.60 0.00 0.00 178.31 176.79 2d87 h ALA 43 N 1.45 0.50 -0.61 0.00 0.00 0.31 0.38 119.26 121.29 2d87 h ALA 43 Ca 0.23 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2d87 h ALA 43 Cb 0.37 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2d87 h ALA 43 CO -0.50 -0.03 0.30 1.25 0.00 0.00 0.00 179.25 180.27 2d87 h LEU 44 N 0.53 0.41 0.26 0.00 5.85 -0.11 -1.74 115.31 120.51 2d87 h LEU 44 Ca 0.14 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2d87 h LEU 44 Cb -0.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2d87 h LEU 44 CO -0.03 0.26 -0.12 0.58 -0.34 0.00 0.00 178.44 178.79 2d87 h VAL 45 N 0.56 0.00 -0.87 1.05 2.07 -0.73 -3.30 116.25 115.03 2d87 h VAL 45 Ca 0.28 -0.55 0.30 0.00 0.82 0.00 0.00 66.70 67.56 2d87 h VAL 45 Cb 0.23 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.84 2d87 h VAL 45 CO -0.21 0.00 0.25 1.57 0.02 0.00 0.00 177.57 179.20 2d87 n HIS 46 N -4.46 0.79 -0.22 1.57 -0.00 0.13 0.13 115.22 113.16 2d87 n HIS 46 Ca -0.04 1.04 0.03 0.00 -0.00 0.00 0.00 57.72 58.74 2d87 n HIS 46 Cb 0.14 -1.30 0.14 0.00 -0.00 0.00 0.00 29.99 28.96 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 -0.12 0.16 0.26 -1.24 -1.39 0.43 115.58 113.67 2d87 h ASN 47 Ca 0.64 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.78 2d87 h ASN 47 Cb 1.53 0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.81 2d87 h ASN 47 CO -0.74 -0.07 -0.07 -0.26 -1.29 0.00 0.00 177.43 174.99 2d87 h PHE 48 N 0.20 -0.19 -3.26 0.67 0.04 0.98 -3.40 116.94 111.98 2d87 h PHE 48 Ca 0.36 -0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.50 2d87 h PHE 48 Cb 0.60 0.06 -0.41 0.00 2.20 0.00 0.00 35.95 38.40 2d87 h PHE 48 CO -0.31 0.24 -0.61 -0.06 -0.60 0.00 0.00 178.31 176.97 2d87 s PHE 49 N -3.81 3.27 0.31 -0.55 0.08 -0.80 -4.93 117.98 111.56 2d87 s PHE 49 Ca -0.14 -3.21 0.13 0.00 0.12 0.00 0.00 56.93 53.83 2d87 s PHE 49 Cb 0.01 -2.74 0.62 0.00 -0.57 0.00 0.00 43.02 40.33 2d87 s PHE 49 CO 0.53 -0.67 1.75 -1.00 -0.10 0.00 0.00 175.22 175.73 2d87 h PRO 50 N 6.11 0.00 0.10 0.24 0.13 -1.15 -3.15 132.00 134.28 2d87 h PRO 50 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2d87 h PRO 50 Cb 0.84 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.00 2d87 h PRO 50 CO 0.69 0.45 -1.17 1.05 -0.23 0.00 0.00 178.00 178.80 2d87 h GLU 51 N 0.00 0.61 -1.00 0.86 4.11 -1.92 -3.29 114.58 113.96 2d87 h GLU 51 Ca -0.00 -0.79 0.41 0.00 0.07 0.00 0.00 59.36 59.04 2d87 h GLU 51 Cb 0.83 0.26 -0.18 0.00 0.50 0.00 0.00 28.75 30.16 2d87 h GLU 51 CO 0.06 1.36 0.53 0.00 0.07 0.00 0.00 179.01 181.03 2d87 h ALA 52 N 0.29 2.13 -2.90 1.06 0.00 -1.93 -3.42 119.26 114.50 2d87 h ALA 52 Ca -0.17 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2d87 h ALA 52 Cb 1.84 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.84 2d87 h ALA 52 CO 0.22 -0.92 0.25 -0.59 0.00 0.00 0.00 179.25 178.22 2d87 s PHE 53 N -5.54 -0.46 -0.38 0.00 -0.71 -1.24 -4.97 117.98 104.68 2d87 s PHE 53 Ca -0.09 0.23 -0.18 0.00 -1.04 0.00 0.00 56.93 55.85 2d87 s PHE 53 Cb 0.34 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.73 2d87 s PHE 53 CO 0.78 -0.86 0.48 -0.51 -1.34 0.00 0.00 175.22 173.77 2d87 s ASP 54 N -2.74 6.25 0.00 1.98 1.01 -1.26 -4.71 116.67 117.20 2d87 s ASP 54 Ca 0.03 -0.32 -0.25 0.00 0.71 0.00 0.00 52.55 52.72 2d87 s ASP 54 Cb -0.02 -2.25 -0.18 0.00 1.01 0.00 0.00 42.92 41.49 2d87 s ASP 54 CO -0.10 -0.53 1.28 0.22 0.21 0.00 0.00 175.17 176.26 2d87 h TYR 55 N 8.61 -0.16 -0.05 4.23 3.20 -1.94 -2.93 116.97 127.92 2d87 h TYR 55 Ca -0.27 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.61 2d87 h TYR 55 Cb 1.12 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2d87 h TYR 55 CO 0.68 0.21 0.17 0.78 -1.64 0.00 0.00 178.16 178.36 2d87 h GLY 56 N -0.56 0.00 1.52 1.82 0.00 -2.00 -0.35 103.07 103.50 2d87 h GLY 56 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 2d87 h GLY 56 CO 0.03 0.00 -0.56 1.46 0.00 0.00 0.00 176.54 177.47 2d87 h GLN 57 N 0.00 0.50 -7.16 4.80 1.08 -1.93 -3.45 115.11 108.95 2d87 h GLN 57 Ca 0.02 -0.32 -0.52 0.00 -1.45 0.00 0.00 58.65 56.39 2d87 h GLN 57 Cb 0.36 0.04 0.11 0.00 -0.05 0.00 0.00 27.48 27.94 2d87 h GLN 57 CO -0.00 0.92 0.40 -0.51 -0.95 0.00 0.00 178.83 178.70 2d87 s LEU 58 N -8.27 3.47 0.12 1.46 1.43 -0.14 -5.04 118.68 111.70 2d87 s LEU 58 Ca -0.07 2.18 0.06 0.00 -1.03 0.00 0.00 54.13 55.28 2d87 s LEU 58 Cb 0.11 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 2d87 s LEU 58 CO 0.83 -1.72 -0.03 -0.44 0.23 0.00 0.00 176.35 175.23 2d87 s SER 59 N -2.15 4.77 0.14 2.29 0.01 -1.26 -5.04 113.70 112.46 2d87 s SER 59 Ca 0.71 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.56 2d87 s SER 59 Cb -0.25 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 2d87 s SER 59 CO 0.39 0.15 1.47 1.55 0.41 0.00 0.00 173.24 177.21 2d87 h PRO 60 N 3.26 0.92 -0.04 12.44 0.13 -1.98 -2.99 132.00 143.73 2d87 h PRO 60 Ca -0.48 -0.48 0.01 0.00 -0.87 0.00 0.00 66.00 64.18 2d87 h PRO 60 Cb 1.18 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d87 h PRO 60 CO 0.57 1.13 0.04 1.96 -0.23 0.00 0.00 178.00 181.47 2d87 h GLN 61 N 0.73 0.00 -2.97 0.86 7.50 -1.96 -3.18 115.11 116.09 2d87 h GLN 61 Ca 0.06 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.58 2d87 h GLN 61 Cb 0.96 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.52 2d87 h GLN 61 CO 0.09 0.00 3.61 0.09 -1.50 0.00 0.00 178.83 181.12 2d87 n ASN 62 N -4.05 8.44 -0.32 1.46 3.02 -1.13 -4.69 115.26 117.99 2d87 n ASN 62 Ca -0.02 -2.55 0.18 0.00 -0.03 0.00 0.00 54.58 52.15 2d87 n ASN 62 Cb 0.13 -1.53 0.37 0.00 -0.61 0.00 0.00 39.78 38.15 2d87 n ASN 62 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2d87 h ARG 63 N 4.96 0.27 0.09 3.52 3.08 -1.78 -1.35 114.38 123.17 2d87 h ARG 63 Ca 0.83 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.86 2d87 h ARG 63 Cb 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2d87 h ARG 63 CO 1.70 0.18 -0.04 -0.09 -1.07 0.00 0.00 179.97 180.65 2d87 h ARG 64 N 0.28 -0.12 -0.79 0.04 2.43 -1.87 -3.23 114.38 111.13 2d87 h ARG 64 Ca 0.63 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 60.03 2d87 h ARG 64 Cb 1.35 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.78 2d87 h ARG 64 CO -0.62 -0.08 0.02 0.94 -1.51 0.00 0.00 179.97 178.72 2d87 n GLN 65 N -2.44 -0.06 -0.26 0.20 7.27 -0.95 0.16 117.38 121.30 2d87 n GLN 65 Ca -0.01 1.18 0.07 0.00 0.07 0.00 0.00 57.00 58.30 2d87 n GLN 65 Cb 0.05 -1.87 0.19 0.00 2.41 0.00 0.00 30.24 31.01 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 -0.17 0.38 1.69 2.35 -1.28 0.39 115.58 118.93 2d87 h ASN 66 Ca 0.48 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.39 2d87 h ASN 66 Cb 0.99 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2d87 h ASN 66 CO -0.74 -0.13 -0.18 -0.26 -1.65 0.00 0.00 177.43 174.47 2d87 h PHE 67 N 0.17 -0.47 -0.24 1.19 0.04 0.15 -2.42 116.94 115.36 2d87 h PHE 67 Ca 0.44 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.22 2d87 h PHE 67 Cb 0.78 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 2d87 h PHE 67 CO -0.34 -0.29 -0.23 0.93 -0.60 0.00 0.00 178.31 177.77 2d87 h GLU 68 N -0.57 -0.11 -0.99 1.51 5.08 -1.28 -0.80 114.58 117.42 2d87 h GLU 68 Ca -0.05 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.49 2d87 h GLU 68 Cb 0.39 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.49 2d87 h GLU 68 CO 0.09 -0.07 -0.31 0.28 -1.00 0.00 0.00 179.01 177.99 2d87 n VAL 69 N -3.82 -0.47 -0.20 3.13 0.31 0.09 0.59 118.33 117.97 2d87 n VAL 69 Ca -0.01 2.29 0.01 0.00 -0.01 0.00 0.00 64.34 66.62 2d87 n VAL 69 Cb 0.13 -3.11 0.11 0.00 -0.91 0.00 0.00 33.84 30.06 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 1.70 0.71 0.65 3.52 0.00 -0.65 0.20 119.26 125.39 2d87 h ALA 70 Ca 0.41 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2d87 h ALA 70 Cb 0.66 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2d87 h ALA 70 CO -1.00 -0.30 -0.31 0.74 0.00 0.00 0.00 179.25 178.38 2d87 h PHE 71 N 0.27 -0.81 -0.20 0.00 0.04 0.11 -3.15 116.94 113.20 2d87 h PHE 71 Ca 0.31 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.10 2d87 h PHE 71 Cb 0.46 0.27 -0.07 0.00 2.20 0.00 0.00 35.95 38.81 2d87 h PHE 71 CO -0.24 -0.51 -0.52 0.66 -0.60 0.00 0.00 178.31 177.10 2d87 h SER 72 N -1.22 -1.68 -0.93 2.17 4.64 -0.55 0.22 113.55 116.20 2d87 h SER 72 Ca -0.09 0.21 0.35 0.00 -0.47 0.00 0.00 61.79 61.79 2d87 h SER 72 Cb 0.67 0.67 -0.17 0.00 -0.31 0.00 0.00 62.40 63.26 2d87 h SER 72 CO 0.15 -0.46 0.35 -1.20 -0.87 0.00 0.00 176.83 174.80 2d87 n SER 73 N -5.42 0.19 0.05 4.97 7.64 0.70 -0.09 113.62 121.65 2d87 n SER 73 Ca -0.05 1.56 -0.11 0.00 1.01 0.00 0.00 58.87 61.28 2d87 n SER 73 Cb 0.37 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.79 2d87 n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d87 h ALA 74 N 1.86 -0.20 -0.20 -0.43 0.00 -0.98 -3.15 119.26 116.17 2d87 h ALA 74 Ca 0.72 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.45 2d87 h ALA 74 Cb 1.80 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2d87 h ALA 74 CO -0.77 -0.29 0.43 1.49 0.00 0.00 0.00 179.25 180.11 2d87 h GLU 75 N -0.84 0.00 0.00 0.00 4.81 0.11 0.46 114.58 119.12 2d87 h GLU 75 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2d87 h GLU 75 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2d87 h GLU 75 CO 0.03 0.00 0.00 2.41 -0.73 0.00 0.00 179.01 180.72 2d87 n THR 76 N -3.22 0.00 0.00 0.32 -1.04 0.37 -2.49 114.28 108.22 2d87 n THR 76 Ca 0.03 1.47 0.04 0.00 -2.04 0.00 0.00 64.05 63.54 2d87 n THR 76 Cb 0.53 -2.12 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 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 -2.56 0.00 0.05 -1.42 1.44 -1.10 -4.58 115.22 107.04 2d87 n HIS 77 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 2d87 n HIS 77 Cb 0.00 -0.16 -0.12 0.00 0.12 0.00 0.00 29.99 29.83 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 0.65 0.38 -6.30 1.59 0.00 -0.24 -3.48 119.26 111.85 2d87 h ALA 78 Ca 0.00 -0.97 -0.46 0.00 0.00 0.00 0.00 54.91 53.49 2d87 h ALA 78 Cb 0.32 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.05 2d87 h ALA 78 CO 0.00 1.27 -0.89 -3.47 0.00 0.00 0.00 179.25 176.16 2d87 n ASP 79 N -3.33 -2.04 -4.75 0.00 2.03 -0.91 -4.88 116.55 102.67 2d87 n ASP 79 Ca -0.02 -0.96 -0.40 0.00 0.52 0.00 0.00 54.79 53.93 2d87 n ASP 79 Cb 0.96 -3.44 -0.05 0.00 -0.72 0.00 0.00 41.12 37.87 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 -1.15 2.52 -0.84 0.00 0.04 -1.26 -4.76 135.00 129.55 2d87 s PRO 81 Ca 0.43 -0.74 -0.33 0.00 0.04 0.00 0.00 61.00 60.39 2d87 s PRO 81 Cb -0.28 -5.16 -0.20 0.00 0.04 0.00 0.00 34.50 28.91 2d87 s PRO 81 CO 0.35 -3.69 2.55 1.04 0.04 0.00 0.00 177.00 177.29 2d87 n GLN 82 N 8.56 0.10 -0.09 4.56 6.02 -1.26 -4.77 117.38 130.50 2d87 n GLN 82 Ca 0.43 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 57.29 2d87 n GLN 82 Cb 0.47 -1.66 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 2d87 n GLN 82 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2d87 n LEU 83 N 10.22 1.84 -4.76 1.08 4.77 -1.26 -4.94 117.00 123.94 2d87 n LEU 83 Ca 0.61 0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 56.77 2d87 n LEU 83 Cb 0.06 -0.91 0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2d87 n LEU 83 CO 0.91 -0.10 0.79 -0.76 -1.33 0.00 0.00 177.39 176.90 2d87 s LEU 84 N -8.03 3.58 -0.37 2.23 1.43 -1.26 -5.01 118.68 111.24 2d87 s LEU 84 Ca -0.22 2.21 -0.04 0.00 -1.03 0.00 0.00 54.13 55.05 2d87 s LEU 84 Cb 0.04 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.76 2d87 s LEU 84 CO 0.40 -1.57 0.15 -0.62 0.23 0.00 0.00 176.35 174.94 2d87 s ASP 85 N -1.96 5.23 0.24 2.29 -1.08 -1.26 -4.98 116.67 115.14 2d87 s ASP 85 Ca 0.73 -1.65 -0.08 0.00 -0.52 0.00 0.00 52.55 51.03 2d87 s ASP 85 Cb -0.26 -1.83 0.39 0.00 -1.46 0.00 0.00 42.92 39.77 2d87 s ASP 85 CO 0.35 -0.44 1.64 0.74 0.52 0.00 0.00 175.17 177.98 2d87 h THR 86 N 6.32 0.38 -0.73 1.71 2.02 -1.97 0.46 112.91 121.10 2d87 h THR 86 Ca -0.18 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.12 2d87 h THR 86 Cb 1.06 0.27 -0.11 0.00 -1.74 0.00 0.00 68.15 67.63 2d87 h THR 86 CO 0.65 0.02 0.20 -0.33 0.37 0.00 0.00 175.52 176.43 2d87 h GLU 87 N 0.11 0.29 0.02 6.66 4.39 -2.00 0.15 114.58 124.20 2d87 h GLU 87 Ca 0.39 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.86 2d87 h GLU 87 Cb 0.66 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2d87 h GLU 87 CO -0.63 0.19 -0.94 -0.44 -1.16 0.00 0.00 179.01 176.03 2d87 h ASP 88 N 0.30 0.13 -0.08 1.42 5.19 -1.25 -3.29 116.42 118.83 2d87 h ASP 88 Ca 0.41 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2d87 h ASP 88 Cb 0.68 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2d87 h ASP 88 CO -0.48 1.00 0.04 0.24 -3.12 0.00 0.00 179.24 176.92 2d87 h MET 89 N 0.04 0.12 0.02 3.56 2.86 0.18 -0.20 114.93 121.52 2d87 h MET 89 Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2d87 h MET 89 Cb 1.63 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 2d87 h MET 89 CO 0.13 0.19 -0.08 0.28 1.06 0.00 0.00 176.91 178.49 2d87 h VAL 90 N 0.02 0.00 -0.82 -2.22 2.07 -0.89 -2.61 116.25 111.80 2d87 h VAL 90 Ca 0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.69 2d87 h VAL 90 Cb 0.11 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.79 2d87 h VAL 90 CO -0.00 0.00 0.40 0.08 0.02 0.00 0.00 177.57 178.07 2d87 h ARG 91 N -0.12 0.57 -6.27 1.57 0.11 -1.63 -3.41 114.38 105.21 2d87 h ARG 91 Ca -0.00 -0.03 -0.61 0.00 0.10 0.00 0.00 59.98 59.43 2d87 h ARG 91 Cb 0.12 -0.13 0.02 0.00 1.11 0.00 0.00 29.97 31.09 2d87 h ARG 91 CO -0.04 0.38 1.13 1.28 0.10 0.00 0.00 179.97 182.82 2d87 n LEU 92 N -4.89 3.48 -0.40 0.08 4.77 -0.09 -4.80 117.00 115.15 2d87 n LEU 92 Ca 0.16 0.93 0.36 0.00 -0.03 0.00 0.00 56.01 57.43 2d87 n LEU 92 Cb 0.42 -1.39 0.63 0.00 -2.33 0.00 0.00 43.42 40.75 2d87 n LEU 92 CO 0.21 -0.06 1.16 0.03 -1.33 0.00 0.00 177.39 177.40 2d87 h ARG 93 N 9.59 0.02 -1.44 3.23 3.08 -1.81 -3.41 114.38 123.64 2d87 h ARG 93 Ca -0.48 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.68 2d87 h ARG 93 Cb 1.27 -0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.05 2d87 h ARG 93 CO 0.95 0.01 0.61 -1.83 -1.07 0.00 0.00 179.97 178.65 2d87 s GLU 94 N -5.39 0.41 0.07 0.04 1.03 -1.26 -5.03 118.70 108.57 2d87 s GLU 94 Ca -0.08 0.31 -0.31 0.00 0.03 0.00 0.00 54.97 54.92 2d87 s GLU 94 Cb 0.32 0.20 -0.07 0.00 -0.80 0.00 0.00 34.13 33.78 2d87 s GLU 94 CO 0.81 -0.08 1.40 -1.25 -1.33 0.00 0.00 175.26 174.80 2d87 s PRO 95 N -0.33 4.31 0.04 -4.83 0.04 -1.19 -4.98 135.00 128.05 2d87 s PRO 95 Ca 0.03 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2d87 s PRO 95 Cb -0.03 -3.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 2d87 s PRO 95 CO -0.06 -0.49 1.28 -0.51 0.04 0.00 0.00 177.00 177.26 2d87 s ASP 96 N 1.46 6.97 0.23 6.66 1.01 -1.26 -4.29 116.67 127.45 2d87 s ASP 96 Ca 0.65 2.07 -0.10 0.00 0.71 0.00 0.00 52.55 55.88 2d87 s ASP 96 Cb -0.35 -2.57 0.36 0.00 1.01 0.00 0.00 42.92 41.37 2d87 s ASP 96 CO 0.29 -0.58 1.63 4.11 0.21 0.00 0.00 175.17 180.82 2d87 h TRP 97 N 7.15 -0.18 -1.15 4.23 5.08 -1.86 0.25 115.95 129.47 2d87 h TRP 97 Ca -0.40 0.06 0.42 0.00 1.08 0.00 0.00 58.89 60.05 2d87 h TRP 97 Cb 1.20 0.19 -0.15 0.00 -3.00 0.00 0.00 29.16 27.40 2d87 h TRP 97 CO 0.70 -0.26 0.69 0.87 -1.28 0.00 0.00 178.44 179.16 2d87 h LYS 98 N 0.06 0.07 0.00 0.12 1.57 -1.91 0.18 116.57 116.66 2d87 h LYS 98 Ca 0.37 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2d87 h LYS 98 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2d87 h LYS 98 CO -0.68 0.05 -0.16 0.00 -0.57 0.00 0.00 179.45 178.09 2d87 h VAL 100 N -0.98 0.00 -0.90 0.00 2.07 -0.50 0.19 116.25 116.13 2d87 h VAL 100 Ca 0.00 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.90 2d87 h VAL 100 Cb 0.16 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.77 2d87 h VAL 100 CO 0.00 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.06 2d87 n TYR 101 N -4.60 1.04 -0.07 1.57 4.19 0.52 0.10 117.16 119.92 2d87 n TYR 101 Ca -0.01 1.07 -0.07 0.00 3.31 0.00 0.00 57.90 62.19 2d87 n TYR 101 Cb 0.23 -1.47 -0.01 0.00 0.49 0.00 0.00 39.34 38.58 2d87 n TYR 101 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 2d87 h THR 102 N 0.00 0.73 0.83 2.97 2.02 -0.74 -1.29 112.91 117.43 2d87 h THR 102 Ca 0.76 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.90 2d87 h THR 102 Cb 2.00 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2d87 h THR 102 CO -0.70 0.00 -0.40 0.22 0.37 0.00 0.00 175.52 175.01 2d87 h TYR 103 N -0.00 -1.03 -1.12 3.16 3.20 0.72 0.27 116.97 122.16 2d87 h TYR 103 Ca 0.13 -0.02 0.38 0.00 3.14 0.00 0.00 58.73 62.36 2d87 h TYR 103 Cb 0.20 0.34 -0.15 0.00 1.54 0.00 0.00 36.73 38.66 2d87 h TYR 103 CO -0.27 -0.64 0.67 0.82 -1.64 0.00 0.00 178.16 177.10 2d87 h ILE 104 N -1.26 0.17 -0.01 1.81 1.08 -1.35 0.39 117.51 118.34 2d87 h ILE 104 Ca -0.11 -0.06 -0.08 0.00 -0.39 0.00 0.00 64.86 64.22 2d87 h ILE 104 Cb 0.86 -0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.61 2d87 h ILE 104 CO 0.19 0.03 -0.30 -0.61 -0.69 0.00 0.00 178.15 176.77 2d87 h GLN 105 N 0.16 0.22 0.35 2.37 5.75 -1.05 -2.71 115.11 120.20 2d87 h GLN 105 Ca 0.79 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 59.05 2d87 h GLN 105 Cb 2.13 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 30.74 2d87 h GLN 105 CO -0.56 0.94 -0.24 1.49 -2.65 0.00 0.00 178.83 177.80 2d87 h GLU 106 N -0.41 -0.56 -0.99 1.69 4.57 0.18 -2.57 114.58 116.48 2d87 h GLU 106 Ca -0.04 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.28 2d87 h GLU 106 Cb 1.04 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.68 2d87 h GLU 106 CO 0.06 -0.38 0.63 0.35 -1.18 0.00 0.00 179.01 178.49 2d87 h PHE 107 N -0.59 1.15 -0.68 0.92 3.57 -0.64 -1.76 116.94 118.92 2d87 h PHE 107 Ca -0.03 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2d87 h PHE 107 Cb 0.50 -0.37 -0.09 0.00 2.79 0.00 0.00 35.95 38.78 2d87 h PHE 107 CO -0.12 0.52 0.25 -0.92 -2.23 0.00 0.00 178.31 175.81 2d87 h TYR 108 N 1.06 0.42 -0.86 0.41 5.03 -1.12 -0.46 116.97 121.46 2d87 h TYR 108 Ca 0.46 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.84 2d87 h TYR 108 Cb 0.34 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.48 2d87 h TYR 108 CO -0.01 0.06 0.55 -0.09 -1.32 0.00 0.00 178.16 177.36 2d87 h ARG 109 N 0.41 1.03 0.02 1.82 2.43 -1.04 -2.54 114.38 116.51 2d87 h ARG 109 Ca 0.36 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2d87 h ARG 109 Cb 0.51 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2d87 h ARG 109 CO -0.37 0.68 -0.01 0.00 -1.51 0.00 0.00 179.97 178.77 2d87 h LEU 111 N -0.10 -0.15 -0.84 0.00 3.38 -0.99 0.35 115.31 116.97 2d87 h LEU 111 Ca -0.00 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.25 2d87 h LEU 111 Cb 0.09 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2d87 h LEU 111 CO 0.00 -0.06 0.42 0.58 0.09 0.00 0.00 178.44 179.48 2d87 h VAL 112 N 0.18 0.72 -0.09 1.22 2.07 -1.28 -0.37 116.25 118.70 2d87 h VAL 112 Ca 0.32 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 2d87 h VAL 112 Cb 0.51 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2d87 h VAL 112 CO -0.47 0.11 -0.10 1.56 0.02 0.00 0.00 177.57 178.69 2d87 h GLN 113 N 0.60 0.23 -0.77 1.57 4.20 -0.87 -3.10 115.11 116.98 2d87 h GLN 113 Ca 0.46 -0.12 0.14 0.00 0.06 0.00 0.00 58.65 59.19 2d87 h GLN 113 Cb 0.65 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 2d87 h GLN 113 CO -0.37 0.65 0.51 0.87 -0.67 0.00 0.00 178.83 179.83 2d87 h LYS 114 N -0.19 0.46 0.00 1.46 1.79 -0.25 -3.46 116.57 116.38 2d87 h LYS 114 Ca 0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2d87 h LYS 114 Cb 0.61 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2d87 h LYS 114 CO 0.02 0.30 0.00 0.41 -1.08 0.00 0.00 179.45 179.11 2d87 n GLY 115 N -1.50 1.76 0.15 3.86 0.00 -0.22 -5.04 105.19 104.19 2d87 n GLY 115 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 2.66 -4.02 0.99 4.77 -0.81 -4.90 117.00 115.68 2d87 n LEU 116 Ca 0.00 -0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 2d87 n LEU 116 Cb 0.00 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.17 2d87 n LEU 116 CO 0.00 0.79 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.72 2d87 s VAL 117 N -2.45 1.96 -0.91 4.08 1.01 -1.25 -5.00 120.40 117.85 2d87 s VAL 117 Ca -0.31 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 59.90 2d87 s VAL 117 Cb 0.09 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.41 2d87 s VAL 117 CO 0.50 -0.10 1.21 -1.59 0.00 0.00 0.00 175.10 175.12 2d87 s LYS 118 N 1.18 3.50 0.53 2.72 -2.85 -1.26 -4.00 119.74 119.57 2d87 s LYS 118 Ca -0.06 -1.35 -0.15 0.00 -1.00 0.00 0.00 55.97 53.40 2d87 s LYS 118 Cb -0.20 -4.92 -0.07 0.00 -2.06 0.00 0.00 37.83 30.59 2d87 s LYS 118 CO -0.06 -1.93 0.98 0.95 0.10 0.00 0.00 175.35 175.39 2d87 s THR 119 N 3.75 4.58 -1.03 3.79 -4.23 -1.26 -5.01 115.64 116.23 2d87 s THR 119 Ca 0.35 1.12 -0.08 0.00 -1.18 0.00 0.00 61.69 61.90 2d87 s THR 119 Cb -0.05 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.30 2d87 s THR 119 CO -0.06 -0.77 0.99 -0.54 -0.54 0.00 0.00 174.62 173.70 2d87 s LYS 120 N -4.28 3.93 0.84 3.99 -0.14 -1.26 -5.05 119.74 117.77 2d87 s LYS 120 Ca 0.58 -3.12 -0.12 0.00 -1.36 0.00 0.00 55.97 51.95 2d87 s LYS 120 Cb -0.10 -4.42 0.10 0.00 -1.68 0.00 0.00 37.83 31.73 2d87 s LYS 120 CO 0.36 -1.25 1.14 -1.59 -0.76 0.00 0.00 175.35 173.24 2d87 s LYS 121 N -1.06 1.70 -0.01 1.68 0.00 -1.26 -5.07 119.74 115.72 2d87 s LYS 121 Ca 0.28 0.33 -0.01 0.00 0.00 0.00 0.00 55.97 56.57 2d87 s LYS 121 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 37.83 35.79 2d87 s LYS 121 CO -0.09 -1.82 0.10 0.45 0.00 0.00 0.00 175.35 173.99 2d87 s SER 122 N -4.18 5.81 1.01 0.03 0.15 -1.26 -5.09 113.70 110.17 2d87 s SER 122 Ca 0.62 0.19 -0.14 0.00 0.70 0.00 0.00 55.95 57.32 2d87 s SER 122 Cb -0.13 -1.70 0.11 0.00 -1.71 0.00 0.00 66.02 62.58 2d87 s SER 122 CO 0.52 0.27 0.53 -1.54 1.20 0.00 0.00 173.24 174.23 2d87 n SER 123 N 1.16 -1.64 -3.33 5.45 3.41 -1.26 -4.15 113.62 113.27 2d87 n SER 123 Ca -0.13 0.18 -0.25 0.00 -0.26 0.00 0.00 58.87 58.41 2d87 n SER 123 Cb 0.53 -1.21 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 2d87 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d87 n GLY 124 N 1.32 -0.24 3.08 5.00 0.00 -1.26 -4.96 105.19 108.14 2d87 n GLY 124 Ca 0.06 0.89 -0.26 0.00 0.00 0.00 0.00 46.02 46.71 2d87 n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d87 n PRO 125 N 0.17 -2.91 -0.10 1.61 -0.04 -1.26 -5.04 135.00 127.43 2d87 n PRO 125 Ca -0.04 -1.54 -0.19 0.00 -0.04 0.00 0.00 63.50 61.69 2d87 n PRO 125 Cb 0.59 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 2d87 n PRO 125 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d87 n SER 126 N -4.66 1.73 -4.07 3.54 2.88 -1.26 -4.88 113.62 106.91 2d87 n SER 126 Ca 0.13 0.30 -0.34 0.00 -1.33 0.00 0.00 58.87 57.62 2d87 n SER 126 Cb 0.52 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 63.16 2d87 n SER 126 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d87 s SER 127 N -6.71 5.03 0.00 -3.46 0.15 -1.26 -5.34 113.70 102.11 2d87 s SER 127 Ca -0.30 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 53.92 2d87 s SER 127 Cb 0.09 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2d87 s SER 127 CO 0.40 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.03