#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 5.20 -0.25 1.61 0.01 -1.26 -4.91 113.70 114.11 2d87 s SER 2 Ca 0.00 1.13 -0.02 0.00 1.31 0.00 0.00 55.95 58.37 2d87 s SER 2 Cb 0.00 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.84 2d87 s SER 2 CO 0.00 -2.28 0.32 -0.44 0.41 0.00 0.00 173.24 171.25 2d87 s SER 3 N 8.91 0.87 0.01 2.44 0.01 -1.26 -5.15 113.70 119.53 2d87 s SER 3 Ca 0.87 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 58.00 2d87 s SER 3 Cb -0.21 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2d87 s SER 3 CO 0.28 -0.33 -0.11 -0.83 0.41 0.00 0.00 173.24 172.67 2d87 s GLY 4 N 2.45 0.57 -0.39 3.44 0.00 -1.26 -5.08 107.32 107.04 2d87 s GLY 4 Ca 0.10 -0.56 -0.33 0.00 0.00 0.00 0.00 44.72 43.93 2d87 s GLY 4 CO -0.20 -0.52 2.26 -1.14 0.00 0.00 0.00 173.10 173.51 2d87 n SER 5 N 2.46 2.18 -3.67 1.64 3.41 -1.26 -4.90 113.62 113.47 2d87 n SER 5 Ca -0.16 0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 2d87 n SER 5 Cb 0.56 -1.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.09 2d87 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d87 s SER 6 N 8.21 -0.52 0.69 4.04 0.01 -1.26 -5.05 113.70 119.82 2d87 s SER 6 Ca 1.09 1.04 0.00 0.00 1.31 0.00 0.00 55.95 59.39 2d87 s SER 6 Cb -0.73 1.12 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2d87 s SER 6 CO 0.44 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2d87 n GLY 7 N 4.70 0.50 0.48 3.44 0.00 -1.26 -3.83 105.19 109.21 2d87 n GLY 7 Ca -0.18 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 1.39 -0.69 -0.61 5.41 -1.26 -4.32 119.36 119.28 2d87 n ILE 8 Ca 0.00 0.24 0.53 0.00 1.00 0.00 0.00 62.75 64.52 2d87 n ILE 8 Cb 0.00 -2.03 0.82 0.00 -0.71 0.00 0.00 39.64 37.72 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 -0.59 0.00 0.11 0.38 3.64 -2.00 -0.04 116.57 118.07 2d87 h LYS 9 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2d87 h LYS 9 Cb 0.61 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2d87 h LYS 9 CO -0.00 0.00 -0.05 0.37 -2.27 0.00 0.00 179.45 177.49 2d87 h GLN 10 N 0.00 -0.14 -0.27 1.90 5.75 -1.81 -2.70 115.11 117.84 2d87 h GLN 10 Ca 0.93 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.52 2d87 h GLN 10 Cb 3.71 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 32.28 2d87 h GLN 10 CO -0.03 -0.09 0.60 0.00 -2.65 0.00 0.00 178.83 176.66 2d87 h MET 11 N -0.33 0.00 0.16 1.69 -0.00 -1.27 -0.14 114.93 115.04 2d87 h MET 11 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2d87 h MET 11 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 2d87 h MET 11 CO 0.02 0.00 -0.08 -0.07 -0.00 0.00 0.00 176.91 176.79 2d87 h LEU 12 N 0.00 -0.18 -0.40 -0.10 3.38 -1.14 -2.67 115.31 114.20 2d87 h LEU 12 Ca 0.13 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.83 2d87 h LEU 12 Cb 1.32 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 2d87 h LEU 12 CO -0.00 0.39 0.06 0.25 0.09 0.00 0.00 178.44 179.23 2d87 h LEU 13 N -0.91 -0.04 -0.74 1.67 5.85 -0.69 0.25 115.31 120.71 2d87 h LEU 13 Ca -0.02 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2d87 h LEU 13 Cb 0.50 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2d87 h LEU 13 CO 0.04 0.02 0.43 -0.78 -0.34 0.00 0.00 178.44 177.80 2d87 h ASP 14 N 0.18 0.66 0.52 1.25 3.58 -1.53 -2.45 116.42 118.63 2d87 h ASP 14 Ca 0.20 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2d87 h ASP 14 Cb 0.25 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.19 2d87 h ASP 14 CO -0.28 0.43 -0.25 -0.25 -2.88 0.00 0.00 179.24 176.01 2d87 h TRP 15 N 0.80 -0.65 -0.84 0.28 7.01 -0.95 -2.87 115.95 118.73 2d87 h TRP 15 Ca 0.32 -0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.49 2d87 h TRP 15 Cb 0.17 0.21 -0.16 0.00 -2.10 0.00 0.00 29.16 27.29 2d87 h TRP 15 CO -0.06 -0.40 -0.16 0.00 -2.79 0.00 0.00 178.44 175.03 2d87 h ARG 17 N 0.00 -0.76 -0.99 0.00 3.08 -1.48 0.12 114.38 114.34 2d87 h ARG 17 Ca 0.42 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.72 2d87 h ARG 17 Cb 0.70 0.17 -0.19 0.00 0.08 0.00 0.00 29.97 30.74 2d87 h ARG 17 CO -0.85 -0.51 -0.26 0.00 -1.07 0.00 0.00 179.97 177.28 2d87 n ALA 18 N -2.52 0.21 0.05 0.04 0.00 0.12 0.93 120.51 119.33 2d87 n ALA 18 Ca -0.12 1.08 -0.09 0.00 0.00 0.00 0.00 53.44 54.31 2d87 n ALA 18 Cb 0.35 -0.64 0.04 0.00 0.00 0.00 0.00 19.45 19.20 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 0.42 -1.00 0.00 1.79 -1.21 -3.06 116.57 113.50 2d87 h LYS 19 Ca 0.47 -0.32 -0.18 0.00 -2.18 0.00 0.00 60.65 58.44 2d87 h LYS 19 Cb 0.71 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.32 2d87 h LYS 19 CO -1.02 0.95 0.23 2.41 -1.08 0.00 0.00 179.45 180.94 2d87 n THR 20 N -3.86 1.76 -3.12 -0.16 -1.04 0.26 -4.80 114.28 103.32 2d87 n THR 20 Ca -0.04 -0.66 -0.31 0.00 -2.04 0.00 0.00 64.05 61.00 2d87 n THR 20 Cb 0.68 -0.82 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.13 3.85 0.00 -2.82 0.52 -0.08 -4.17 118.95 115.11 2d87 s ARG 21 Ca 0.20 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 2d87 s ARG 21 Cb 0.16 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 33.15 2d87 s ARG 21 CO 0.04 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.90 2d87 n GLY 22 N -0.70 1.64 3.69 -3.53 0.00 -1.26 -4.96 105.19 100.08 2d87 n GLY 22 Ca 0.02 -0.19 -0.60 0.00 0.00 0.00 0.00 46.02 45.25 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 1.94 -1.95 1.61 4.01 -1.26 -4.90 117.16 116.61 2d87 n TYR 23 Ca 0.00 0.68 -0.33 0.00 -0.16 0.00 0.00 57.90 58.09 2d87 n TYR 23 Cb 0.00 -2.40 0.02 0.00 -0.31 0.00 0.00 39.34 36.65 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 3.65 3.19 -1.16 -0.72 2.12 -1.26 -3.32 118.70 121.20 2d87 s GLU 24 Ca 1.01 1.21 0.00 0.00 0.36 0.00 0.00 54.97 57.55 2d87 s GLU 24 Cb -1.18 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2d87 s GLU 24 CO 0.69 -0.91 0.00 0.72 -0.54 0.00 0.00 175.26 175.22 2d87 n HIS 25 N -2.20 -1.24 -3.81 5.30 8.25 -1.26 -4.93 115.22 115.32 2d87 n HIS 25 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 2d87 n HIS 25 Cb 0.53 -2.83 -0.17 0.00 1.12 0.00 0.00 29.99 28.63 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 -2.58 0.15 -0.13 1.59 1.01 -1.21 -4.88 120.40 114.34 2d87 s VAL 26 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 2d87 s VAL 26 Cb 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 36.14 2d87 s VAL 26 CO 0.00 0.19 0.26 -1.81 0.00 0.00 0.00 175.10 173.74 2d87 s ASP 27 N 1.62 0.38 -0.82 3.32 1.01 -1.26 -4.85 116.67 116.07 2d87 s ASP 27 Ca -0.01 0.57 -0.10 0.00 0.71 0.00 0.00 52.55 53.71 2d87 s ASP 27 Cb -0.13 0.70 0.21 0.00 1.01 0.00 0.00 42.92 44.72 2d87 s ASP 27 CO -0.03 -0.24 0.74 -0.63 0.21 0.00 0.00 175.17 175.21 2d87 s ILE 28 N 2.42 5.13 -0.14 0.77 1.01 -1.26 -4.76 121.20 124.36 2d87 s ILE 28 Ca 0.02 -2.81 -0.04 0.00 0.00 0.00 0.00 60.65 57.82 2d87 s ILE 28 Cb -0.12 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 37.92 2d87 s ILE 28 CO -0.09 -1.02 0.27 1.67 0.00 0.00 0.00 174.94 175.77 2d87 n GLN 29 N 3.57 0.73 -3.61 2.79 7.27 -1.26 -4.76 117.38 122.11 2d87 n GLN 29 Ca 0.14 0.24 -0.13 0.00 0.07 0.00 0.00 57.00 57.32 2d87 n GLN 29 Cb 0.43 -1.68 -0.06 0.00 2.41 0.00 0.00 30.24 31.35 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 -6.86 -0.36 -0.08 1.69 4.22 -1.26 -5.04 114.94 107.26 2d87 s ASN 30 Ca -0.23 0.04 -0.02 0.00 -2.14 0.00 0.00 52.86 50.50 2d87 s ASN 30 Cb 0.07 0.47 -0.06 0.00 1.28 0.00 0.00 41.25 43.01 2d87 s ASN 30 CO 0.74 -0.72 2.60 0.49 -2.04 0.00 0.00 177.10 178.18 2d87 n PHE 31 N 0.35 0.33 0.02 1.54 3.72 -1.26 -3.46 117.46 118.69 2d87 n PHE 31 Ca -0.18 -1.37 -0.01 0.00 -0.05 0.00 0.00 57.45 55.85 2d87 n PHE 31 Cb 0.61 -0.99 -0.00 0.00 -0.94 0.00 0.00 39.48 38.15 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 1.63 0.70 -2.40 4.37 2.88 -1.26 -2.80 113.62 116.73 2d87 n SER 32 Ca 0.22 0.09 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 2d87 n SER 32 Cb 0.65 -0.25 0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2d87 n SER 32 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d87 n SER 33 N -3.14 2.64 -0.22 -3.46 7.64 -1.26 -3.30 113.62 112.52 2d87 n SER 33 Ca -0.01 -2.66 0.05 0.00 1.01 0.00 0.00 58.87 57.26 2d87 n SER 33 Cb 0.04 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 2d87 n SER 33 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d87 n SER 34 N -0.59 1.19 -0.00 6.43 3.41 -1.22 -4.58 113.62 118.26 2d87 n SER 34 Ca 0.20 -1.10 -0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2d87 n SER 34 Cb 0.87 0.52 -0.00 0.00 -0.26 0.00 0.00 64.21 65.34 2d87 n SER 34 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2d87 n TRP 35 N -0.33 0.00 -0.28 7.33 7.02 -1.26 -4.63 117.44 125.28 2d87 n TRP 35 Ca 0.04 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.72 2d87 n TRP 35 Cb 0.22 -0.02 0.38 0.00 -2.42 0.00 0.00 31.31 29.46 2d87 n TRP 35 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2d87 n SER 36 N -1.90 0.11 0.09 -0.99 2.88 -1.26 0.03 113.62 112.58 2d87 n SER 36 Ca -0.01 1.40 -0.15 0.00 -1.33 0.00 0.00 58.87 58.79 2d87 n SER 36 Cb 0.39 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.16 2d87 n SER 36 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2d87 h ASP 37 N 0.00 -1.50 0.00 -3.46 3.04 -1.88 -3.48 116.42 109.14 2d87 h ASP 37 Ca 0.61 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 54.57 2d87 h ASP 37 Cb 1.49 0.56 0.00 0.00 -1.04 0.00 0.00 39.33 40.34 2d87 h ASP 37 CO -0.71 -0.51 0.00 0.61 -2.04 0.00 0.00 179.24 176.59 2d87 n GLY 38 N -1.44 3.33 0.33 7.15 0.00 0.10 -4.44 105.19 110.22 2d87 n GLY 38 Ca -0.08 -0.64 0.20 0.00 0.00 0.00 0.00 46.02 45.51 2d87 n GLY 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2d87 h MET 39 N 0.00 0.30 -0.25 1.61 2.86 -1.84 -2.25 114.93 115.35 2d87 h MET 39 Ca 0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2d87 h MET 39 Cb 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2d87 h MET 39 CO 0.00 0.20 -0.15 0.00 1.06 0.00 0.00 176.91 178.02 2d87 n ALA 40 N -2.41 -0.16 -0.04 6.32 0.00 -1.26 -0.23 120.51 122.72 2d87 n ALA 40 Ca 0.29 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 2d87 n ALA 40 Cb 0.89 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.97 -0.39 0.00 0.04 -1.71 -0.77 116.94 113.14 2d87 h PHE 41 Ca 0.04 0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.91 2d87 h PHE 41 Cb 0.10 0.46 -0.08 0.00 2.20 0.00 0.00 35.95 38.63 2d87 h PHE 41 CO -0.75 -0.41 -0.54 0.00 -0.60 0.00 0.00 178.31 176.01 2d87 h ALA 43 N 0.02 0.50 -0.37 0.00 0.00 -0.15 0.40 119.26 119.67 2d87 h ALA 43 Ca 0.08 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2d87 h ALA 43 Cb 0.60 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2d87 h ALA 43 CO -0.58 -0.38 0.07 1.25 0.00 0.00 0.00 179.25 179.60 2d87 h LEU 44 N 0.12 -0.00 0.40 0.00 5.85 0.21 -2.21 115.31 119.68 2d87 h LEU 44 Ca 0.27 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2d87 h LEU 44 Cb 0.40 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2d87 h LEU 44 CO -0.43 0.03 -0.19 0.58 -0.34 0.00 0.00 178.44 178.09 2d87 h VAL 45 N 0.19 0.00 -0.72 1.05 2.07 0.17 -3.22 116.25 115.79 2d87 h VAL 45 Ca 0.18 -0.25 0.23 0.00 0.82 0.00 0.00 66.70 67.67 2d87 h VAL 45 Cb 0.21 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.85 2d87 h VAL 45 CO -0.24 0.00 0.11 1.57 0.02 0.00 0.00 177.57 179.03 2d87 n HIS 46 N -4.15 0.56 -0.22 1.57 -0.00 0.13 0.17 115.22 113.28 2d87 n HIS 46 Ca -0.07 0.86 0.01 0.00 -0.00 0.00 0.00 57.72 58.52 2d87 n HIS 46 Cb 0.21 -1.10 0.10 0.00 -0.00 0.00 0.00 29.99 29.20 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 0.31 0.26 -1.24 -1.41 0.74 115.58 113.85 2d87 h ASN 47 Ca 0.48 0.17 -0.02 0.00 0.71 0.00 0.00 56.30 57.65 2d87 h ASN 47 Cb 1.09 0.32 0.00 0.00 0.73 0.00 0.00 38.32 40.46 2d87 h ASN 47 CO -0.64 -0.16 -0.15 -0.26 -1.29 0.00 0.00 177.43 174.93 2d87 h PHE 48 N 0.08 -0.38 -3.30 0.67 0.04 0.16 -3.40 116.94 110.81 2d87 h PHE 48 Ca 0.33 -0.01 -0.63 0.00 2.80 0.00 0.00 57.97 60.46 2d87 h PHE 48 Cb 0.54 0.13 -0.41 0.00 2.20 0.00 0.00 35.95 38.40 2d87 h PHE 48 CO -0.42 -0.04 -0.62 -0.06 -0.60 0.00 0.00 178.31 176.57 2d87 s PHE 49 N -3.84 3.28 0.13 -0.55 0.40 -0.84 -4.94 117.98 111.62 2d87 s PHE 49 Ca -0.12 -3.22 -0.12 0.00 -0.60 0.00 0.00 56.93 52.87 2d87 s PHE 49 Cb 0.01 -2.78 -0.05 0.00 0.51 0.00 0.00 43.02 40.71 2d87 s PHE 49 CO 0.43 -0.69 1.46 -1.00 0.70 0.00 0.00 175.22 176.13 2d87 h PRO 50 N 6.20 0.89 -0.32 0.24 0.13 -1.09 -3.16 132.00 134.89 2d87 h PRO 50 Ca -0.02 -0.47 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2d87 h PRO 50 Cb 0.85 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 2d87 h PRO 50 CO 0.70 1.12 -0.22 1.05 -0.23 0.00 0.00 178.00 180.41 2d87 h GLU 51 N 0.70 0.62 -1.20 0.86 4.11 -1.92 -2.95 114.58 114.81 2d87 h GLU 51 Ca 0.06 -0.24 0.36 0.00 0.07 0.00 0.00 59.36 59.61 2d87 h GLU 51 Cb 0.95 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.05 2d87 h GLU 51 CO 0.09 0.80 0.77 0.00 0.07 0.00 0.00 179.01 180.74 2d87 h ALA 52 N 1.20 2.53 -1.75 1.06 0.00 -1.93 -3.41 119.26 116.96 2d87 h ALA 52 Ca 0.08 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2d87 h ALA 52 Cb 0.68 0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.37 2d87 h ALA 52 CO 0.05 -1.06 0.35 -0.59 0.00 0.00 0.00 179.25 178.01 2d87 s PHE 53 N -5.37 -0.56 0.17 0.00 -0.71 -1.11 -5.03 117.98 105.38 2d87 s PHE 53 Ca -0.08 1.21 -0.30 0.00 -1.04 0.00 0.00 56.93 56.72 2d87 s PHE 53 Cb 0.28 0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 42.38 2d87 s PHE 53 CO 0.81 -0.36 1.02 -0.51 -1.34 0.00 0.00 175.22 174.85 2d87 s ASP 54 N -0.29 7.42 -0.11 1.98 1.11 -1.26 -4.73 116.67 120.79 2d87 s ASP 54 Ca -0.01 1.97 -0.03 0.00 0.18 0.00 0.00 52.55 54.66 2d87 s ASP 54 Cb -0.03 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 2d87 s ASP 54 CO 0.00 -0.09 -0.07 0.22 1.18 0.00 0.00 175.17 176.41 2d87 h TYR 55 N 5.02 0.00 -1.29 4.23 3.20 -1.96 -3.35 116.97 122.82 2d87 h TYR 55 Ca -0.44 0.00 0.37 0.00 3.14 0.00 0.00 58.73 61.80 2d87 h TYR 55 Cb 1.21 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 2d87 h TYR 55 CO 0.63 0.00 1.01 0.78 -1.64 0.00 0.00 178.16 178.93 2d87 h GLY 56 N -0.90 0.00 1.17 1.82 0.00 -2.01 0.63 103.07 103.77 2d87 h GLY 56 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2d87 h GLY 56 CO 0.00 0.00 0.17 1.46 0.00 0.00 0.00 176.54 178.17 2d87 h GLN 57 N 0.00 1.04 -7.31 4.80 1.08 -1.99 -3.44 115.11 109.29 2d87 h GLN 57 Ca 0.61 -0.23 -0.43 0.00 -1.45 0.00 0.00 58.65 57.15 2d87 h GLN 57 Cb 2.62 -0.15 0.18 0.00 -0.05 0.00 0.00 27.48 30.08 2d87 h GLN 57 CO -0.01 0.91 0.12 -0.51 -0.95 0.00 0.00 178.83 178.39 2d87 s LEU 58 N -9.48 0.97 0.04 1.46 1.43 0.22 -5.08 118.68 108.24 2d87 s LEU 58 Ca -0.11 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2d87 s LEU 58 Cb 0.15 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2d87 s LEU 58 CO 0.83 -3.79 -0.05 -0.44 0.23 0.00 0.00 176.35 173.13 2d87 s SER 59 N -3.38 0.56 0.11 2.29 0.01 -1.26 -5.04 113.70 106.98 2d87 s SER 59 Ca 0.68 -0.62 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 2d87 s SER 59 Cb -0.17 0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.07 2d87 s SER 59 CO 0.59 -0.32 1.44 1.55 0.41 0.00 0.00 173.24 176.90 2d87 h PRO 60 N 4.28 0.75 -0.85 12.44 0.13 -1.98 -3.05 132.00 143.71 2d87 h PRO 60 Ca -0.34 -0.39 0.24 0.00 -0.87 0.00 0.00 66.00 64.65 2d87 h PRO 60 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2d87 h PRO 60 CO 0.46 1.01 0.61 0.37 -0.23 0.00 0.00 178.00 180.22 2d87 h GLN 61 N 0.51 0.02 -6.15 0.86 4.15 -1.97 -3.37 115.11 109.16 2d87 h GLN 61 Ca 0.05 -0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.95 2d87 h GLN 61 Cb 0.87 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 2d87 h GLN 61 CO 0.07 0.02 1.25 -0.80 -1.93 0.00 0.00 178.83 177.44 2d87 s ASN 62 N -5.70 5.64 -0.13 -0.69 0.01 -1.15 -4.84 114.94 108.07 2d87 s ASN 62 Ca -0.05 0.35 -0.29 0.00 -0.71 0.00 0.00 52.86 52.16 2d87 s ASN 62 Cb 0.21 -2.54 -0.26 0.00 0.41 0.00 0.00 41.25 39.08 2d87 s ASN 62 CO 0.77 -2.08 0.81 0.03 -1.51 0.00 0.00 177.10 175.11 2d87 h ARG 63 N 13.26 0.00 0.12 -0.60 3.08 -1.78 -3.24 114.38 125.22 2d87 h ARG 63 Ca -0.27 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2d87 h ARG 63 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2d87 h ARG 63 CO 1.19 0.96 -0.06 -0.09 -1.07 0.00 0.00 179.97 180.91 2d87 h ARG 64 N -0.96 -0.15 -0.70 0.04 9.65 -1.88 -3.28 114.38 117.09 2d87 h ARG 64 Ca -0.00 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 2d87 h ARG 64 Cb 0.96 0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 29.49 2d87 h ARG 64 CO 0.00 -0.10 -0.41 0.94 2.80 0.00 0.00 179.97 183.20 2d87 n GLN 65 N -2.78 -0.31 -0.31 0.20 7.27 -1.26 0.79 117.38 120.97 2d87 n GLN 65 Ca -0.02 1.09 0.04 0.00 0.07 0.00 0.00 57.00 58.19 2d87 n GLN 65 Cb 0.06 -1.61 0.11 0.00 2.41 0.00 0.00 30.24 31.21 2d87 n GLN 65 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2d87 n ASN 66 N -4.82 -0.34 0.34 1.69 3.02 -1.22 -0.16 115.26 113.76 2d87 n ASN 66 Ca 0.01 1.48 -0.16 0.00 -0.03 0.00 0.00 54.58 55.89 2d87 n ASN 66 Cb 0.18 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 2d87 n ASN 66 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2d87 h PHE 67 N 0.00 -0.83 -0.11 3.10 -1.00 0.32 -2.87 116.94 115.55 2d87 h PHE 67 Ca 0.40 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.18 2d87 h PHE 67 Cb 0.61 0.27 -0.04 0.00 3.61 0.00 0.00 35.95 40.41 2d87 h PHE 67 CO -0.68 -0.48 -0.29 0.93 -1.61 0.00 0.00 178.31 176.18 2d87 h GLU 68 N -1.12 -0.27 -0.82 1.51 5.08 0.04 0.32 114.58 119.32 2d87 h GLU 68 Ca -0.09 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2d87 h GLU 68 Cb 0.72 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 2d87 h GLU 68 CO 0.15 -0.18 -0.49 0.28 -1.00 0.00 0.00 179.01 177.77 2d87 n VAL 69 N -4.10 -0.56 -0.20 3.13 0.31 0.77 0.35 118.33 118.02 2d87 n VAL 69 Ca -0.03 2.11 0.01 0.00 -0.01 0.00 0.00 64.34 66.41 2d87 n VAL 69 Cb 0.20 -2.61 0.11 0.00 -0.91 0.00 0.00 33.84 30.63 2d87 n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d87 h ALA 70 N 0.34 0.78 0.04 3.52 0.00 -1.22 0.53 119.26 123.25 2d87 h ALA 70 Ca 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2d87 h ALA 70 Cb 0.34 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2d87 h ALA 70 CO -0.77 -0.23 -0.02 0.74 0.00 0.00 0.00 179.25 178.96 2d87 h PHE 71 N 0.36 -0.06 -0.20 0.00 -1.00 0.21 -2.95 116.94 113.30 2d87 h PHE 71 Ca 0.32 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.15 2d87 h PHE 71 Cb 0.43 0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.93 2d87 h PHE 71 CO -0.19 -0.03 -0.37 0.77 -1.61 0.00 0.00 178.31 176.88 2d87 h SER 72 N -0.07 -1.16 -0.79 2.17 0.02 -0.10 -1.78 113.55 111.84 2d87 h SER 72 Ca -0.01 0.17 0.14 0.00 -0.84 0.00 0.00 61.79 61.26 2d87 h SER 72 Cb 0.05 0.50 -0.14 0.00 0.14 0.00 0.00 62.40 62.94 2d87 h SER 72 CO 0.01 -0.38 -0.24 -1.20 -1.14 0.00 0.00 176.83 173.88 2d87 n SER 73 N -5.42 -0.37 0.42 3.07 7.64 0.18 -0.59 113.62 118.56 2d87 n SER 73 Ca -0.03 1.36 -0.16 0.00 1.01 0.00 0.00 58.87 61.05 2d87 n SER 73 Cb 0.34 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.40 -1.26 -1.03 -0.43 0.00 -1.15 -2.40 119.26 114.40 2d87 h ALA 74 Ca 0.34 -0.23 0.30 0.00 0.00 0.00 0.00 54.91 55.31 2d87 h ALA 74 Cb 0.54 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2d87 h ALA 74 CO -0.80 -1.18 1.18 1.49 0.00 0.00 0.00 179.25 179.94 2d87 h GLU 75 N -1.09 0.00 -0.18 0.00 4.81 -0.50 0.46 114.58 118.07 2d87 h GLU 75 Ca -0.11 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2d87 h GLU 75 Cb 0.82 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 2d87 h GLU 75 CO 0.18 0.00 -0.34 1.15 -0.73 0.00 0.00 179.01 179.27 2d87 h THR 76 N 0.00 0.00 0.00 0.32 2.02 -0.73 -2.21 112.91 112.31 2d87 h THR 76 Ca 0.49 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.63 2d87 h THR 76 Cb 2.85 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2d87 h THR 76 CO -0.01 0.00 -1.29 0.00 0.37 0.00 0.00 175.52 174.60 2d87 n HIS 77 N -4.33 0.00 0.08 3.16 1.44 -0.43 -4.61 115.22 110.53 2d87 n HIS 77 Ca -0.03 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.64 2d87 n HIS 77 Cb 0.22 -0.17 -0.08 0.00 0.12 0.00 0.00 29.99 30.08 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 0.41 0.48 -6.45 1.59 0.00 -0.29 -3.48 119.26 111.52 2d87 h ALA 78 Ca -0.05 -0.81 -0.49 0.00 0.00 0.00 0.00 54.91 53.56 2d87 h ALA 78 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2d87 h ALA 78 CO 0.00 1.08 -0.90 -3.47 0.00 0.00 0.00 179.25 175.95 2d87 n ASP 79 N -3.28 -1.58 -4.75 0.00 2.03 -0.83 -4.85 116.55 103.28 2d87 n ASP 79 Ca -0.01 -1.02 -0.40 0.00 0.52 0.00 0.00 54.79 53.88 2d87 n ASP 79 Cb 0.88 -3.07 -0.05 0.00 -0.72 0.00 0.00 41.12 38.16 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 -0.62 2.51 -0.40 0.00 0.04 -1.26 -4.73 135.00 130.54 2d87 s PRO 81 Ca 0.40 -0.78 -0.35 0.00 0.04 0.00 0.00 61.00 60.31 2d87 s PRO 81 Cb -0.23 -5.16 -0.15 0.00 0.04 0.00 0.00 34.50 28.99 2d87 s PRO 81 CO 0.28 -3.73 1.70 1.04 0.04 0.00 0.00 177.00 176.32 2d87 n GLN 82 N 8.53 0.00 -0.06 4.56 1.13 -1.26 -4.81 117.38 125.47 2d87 n GLN 82 Ca 0.43 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.43 2d87 n GLN 82 Cb 0.47 -1.19 -0.02 0.00 0.11 0.00 0.00 30.24 29.60 2d87 n GLN 82 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2d87 n LEU 83 N 5.93 1.34 -4.55 1.08 4.77 -1.26 -4.98 117.00 119.32 2d87 n LEU 83 Ca 0.44 0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 56.19 2d87 n LEU 83 Cb -0.03 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 2d87 n LEU 83 CO 0.70 -0.35 0.47 0.18 -1.33 0.00 0.00 177.39 177.06 2d87 n LEU 84 N -3.85 1.22 -4.24 2.23 4.77 -1.26 -4.86 117.00 111.00 2d87 n LEU 84 Ca -0.10 1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 56.62 2d87 n LEU 84 Cb 0.35 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2d87 n LEU 84 CO 0.14 -1.69 1.44 0.47 -1.33 0.00 0.00 177.39 176.42 2d87 n ASP 85 N 1.40 5.35 -0.30 -1.43 8.00 -1.26 -4.86 116.55 123.45 2d87 n ASP 85 Ca 0.11 -3.07 0.10 0.00 0.71 0.00 0.00 54.79 52.65 2d87 n ASP 85 Cb 0.30 -1.49 0.21 0.00 -0.02 0.00 0.00 41.12 40.12 2d87 n ASP 85 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2d87 n THR 86 N 3.65 -0.35 -0.25 -3.53 -1.04 -1.26 0.16 114.28 111.65 2d87 n THR 86 Ca 0.35 1.88 0.05 0.00 -2.04 0.00 0.00 64.05 64.29 2d87 n THR 86 Cb 0.39 -2.70 0.19 0.00 -1.82 0.00 0.00 70.33 66.39 2d87 n THR 86 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2d87 h GLU 87 N 0.00 0.39 0.07 -2.82 4.11 -2.01 0.13 114.58 114.45 2d87 h GLU 87 Ca 0.48 -0.02 -0.25 0.00 0.07 0.00 0.00 59.36 59.64 2d87 h GLU 87 Cb 0.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2d87 h GLU 87 CO -0.82 0.26 -1.12 0.22 0.07 0.00 0.00 179.01 177.61 2d87 h ASP 88 N 0.40 0.29 -0.83 3.06 1.82 0.12 -3.30 116.42 117.98 2d87 h ASP 88 Ca 0.41 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2d87 h ASP 88 Cb 0.65 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 2d87 h ASP 88 CO -0.43 1.21 0.49 0.24 -1.61 0.00 0.00 179.24 179.15 2d87 h MET 89 N 0.06 1.13 0.13 0.28 2.86 1.00 0.59 114.93 120.98 2d87 h MET 89 Ca -0.09 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2d87 h MET 89 Cb 1.85 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 33.28 2d87 h MET 89 CO 0.17 0.80 -0.08 0.28 1.06 0.00 0.00 176.91 179.14 2d87 h VAL 90 N 1.14 0.00 -0.72 -2.22 2.07 -0.89 -3.11 116.25 112.52 2d87 h VAL 90 Ca 0.30 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.91 2d87 h VAL 90 Cb -0.03 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.67 2d87 h VAL 90 CO -0.05 0.00 0.37 0.08 0.02 0.00 0.00 177.57 177.98 2d87 h ARG 91 N -0.20 0.60 -6.15 1.57 0.11 -1.64 -3.41 114.38 105.27 2d87 h ARG 91 Ca -0.02 -0.04 -0.63 0.00 0.10 0.00 0.00 59.98 59.40 2d87 h ARG 91 Cb 0.16 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.11 2d87 h ARG 91 CO 0.01 0.40 1.24 1.28 0.10 0.00 0.00 179.97 183.00 2d87 n LEU 92 N -4.85 3.04 -0.35 0.08 4.77 0.20 -4.80 117.00 115.08 2d87 n LEU 92 Ca 0.11 0.70 0.29 0.00 -0.03 0.00 0.00 56.01 57.09 2d87 n LEU 92 Cb 0.28 -1.36 0.55 0.00 -2.33 0.00 0.00 43.42 40.55 2d87 n LEU 92 CO 0.25 -0.35 1.11 -0.09 -1.33 0.00 0.00 177.39 176.99 2d87 h ARG 93 N 10.94 0.14 -2.85 3.23 9.65 -1.82 -3.40 114.38 130.26 2d87 h ARG 93 Ca -0.42 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.33 2d87 h ARG 93 Cb 1.28 -0.03 -0.22 0.00 -1.39 0.00 0.00 29.97 29.60 2d87 h ARG 93 CO 0.97 0.10 -0.25 -1.21 2.80 0.00 0.00 179.97 182.38 2d87 s GLU 94 N -5.54 0.56 0.68 0.20 2.02 -1.26 -4.92 118.70 110.44 2d87 s GLU 94 Ca -0.09 0.24 -0.14 0.00 0.02 0.00 0.00 54.97 55.00 2d87 s GLU 94 Cb 0.32 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.82 2d87 s GLU 94 CO 0.79 -0.12 1.11 -1.25 0.02 0.00 0.00 175.26 175.81 2d87 s PRO 95 N -0.45 2.69 -0.26 0.39 0.04 -1.21 -5.01 135.00 131.20 2d87 s PRO 95 Ca -0.06 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 2d87 s PRO 95 Cb -0.04 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2d87 s PRO 95 CO 0.02 -1.33 0.46 0.34 0.04 0.00 0.00 177.00 176.54 2d87 s ASP 96 N -2.75 6.38 0.15 6.66 2.15 -1.26 -4.64 116.67 123.35 2d87 s ASP 96 Ca 0.66 0.45 -0.20 0.00 0.43 0.00 0.00 52.55 53.89 2d87 s ASP 96 Cb -0.20 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2d87 s ASP 96 CO 0.44 -0.23 1.67 4.11 -0.17 0.00 0.00 175.17 180.99 2d87 h TRP 97 N 8.00 -0.32 -1.28 -5.34 5.08 -1.85 0.15 115.95 120.39 2d87 h TRP 97 Ca -0.30 0.03 0.40 0.00 1.08 0.00 0.00 58.89 60.10 2d87 h TRP 97 Cb 1.15 0.18 -0.12 0.00 -3.00 0.00 0.00 29.16 27.37 2d87 h TRP 97 CO 0.75 -0.20 0.83 0.87 -1.28 0.00 0.00 178.44 179.41 2d87 h LYS 98 N -0.10 0.14 0.00 0.12 1.57 -1.93 0.98 116.57 117.34 2d87 h LYS 98 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2d87 h LYS 98 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2d87 h LYS 98 CO -0.32 0.09 -0.32 0.00 -0.57 0.00 0.00 179.45 178.32 2d87 h VAL 100 N -0.87 0.01 -1.03 0.00 2.07 -0.18 0.69 116.25 116.93 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 0.32 0.01 -0.16 0.00 -1.52 0.00 0.00 31.29 29.95 2d87 h VAL 100 CO 0.00 0.00 0.59 0.22 0.02 0.00 0.00 177.57 178.40 2d87 h TYR 101 N -0.03 0.85 0.82 1.57 5.03 -1.03 0.35 116.97 124.53 2d87 h TYR 101 Ca 0.26 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.57 2d87 h TYR 101 Cb 0.53 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 2d87 h TYR 101 CO -0.91 -0.31 -0.48 1.15 -1.32 0.00 0.00 178.16 176.30 2d87 h THR 102 N 0.16 0.04 -0.72 1.81 2.02 0.24 -1.69 112.91 114.78 2d87 h THR 102 Ca 0.79 0.00 0.14 0.00 0.77 0.00 0.00 66.41 68.11 2d87 h THR 102 Cb 2.01 0.04 -0.14 0.00 -1.74 0.00 0.00 68.15 68.33 2d87 h THR 102 CO -0.66 0.00 -0.20 0.22 0.37 0.00 0.00 175.52 175.25 2d87 h TYR 103 N -1.21 -0.45 -0.40 3.16 3.20 -0.84 0.21 116.97 120.65 2d87 h TYR 103 Ca -0.11 0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.88 2d87 h TYR 103 Cb 0.96 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 2d87 h TYR 103 CO -0.08 -0.32 0.10 0.82 -1.64 0.00 0.00 178.16 177.04 2d87 h ILE 104 N -0.02 0.83 -0.14 1.81 1.08 -1.31 0.14 117.51 119.91 2d87 h ILE 104 Ca 0.34 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 2d87 h ILE 104 Cb 0.54 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2d87 h ILE 104 CO -0.75 0.04 0.08 -0.61 -0.69 0.00 0.00 178.15 176.23 2d87 h GLN 105 N 0.24 0.19 0.23 2.37 5.75 0.11 0.23 115.11 124.24 2d87 h GLN 105 Ca 0.19 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2d87 h GLN 105 Cb 0.21 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2d87 h GLN 105 CO -0.23 0.19 -0.16 1.49 -2.65 0.00 0.00 178.83 177.47 2d87 h GLU 106 N 0.13 -0.38 -0.18 1.69 4.57 -0.29 -2.20 114.58 117.92 2d87 h GLU 106 Ca 0.05 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2d87 h GLU 106 Cb 0.06 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2d87 h GLU 106 CO -0.01 -0.25 0.12 0.35 -1.18 0.00 0.00 179.01 178.03 2d87 h PHE 107 N -0.40 0.23 -0.75 0.92 3.57 -0.65 -2.72 116.94 117.14 2d87 h PHE 107 Ca -0.02 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.65 2d87 h PHE 107 Cb 0.34 -0.08 -0.12 0.00 2.79 0.00 0.00 35.95 38.89 2d87 h PHE 107 CO -0.10 0.15 0.14 -0.92 -2.23 0.00 0.00 178.31 175.35 2d87 h TYR 108 N 0.23 0.20 -0.81 0.41 5.03 -0.38 0.15 116.97 121.80 2d87 h TYR 108 Ca 0.06 0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.51 2d87 h TYR 108 Cb -0.02 0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.22 2d87 h TYR 108 CO -0.06 -0.13 0.47 -0.09 -1.32 0.00 0.00 178.16 177.02 2d87 h ARG 109 N 0.22 0.78 0.71 1.82 2.43 -1.08 -2.35 114.38 116.91 2d87 h ARG 109 Ca 0.42 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 2d87 h ARG 109 Cb 0.74 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2d87 h ARG 109 CO -0.56 0.52 -0.34 0.00 -1.51 0.00 0.00 179.97 178.08 2d87 h LEU 111 N -1.06 -1.04 -0.86 0.00 3.38 -1.08 0.40 115.31 115.04 2d87 h LEU 111 Ca -0.10 0.25 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2d87 h LEU 111 Cb 0.76 0.58 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 2d87 h LEU 111 CO 0.16 -0.29 0.25 0.58 0.09 0.00 0.00 178.44 179.24 2d87 h VAL 112 N -0.05 0.37 -0.10 1.22 2.07 -1.38 0.79 116.25 119.17 2d87 h VAL 112 Ca 0.33 -0.09 -0.18 0.00 0.82 0.00 0.00 66.70 67.58 2d87 h VAL 112 Cb 0.58 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2d87 h VAL 112 CO -0.82 0.05 -0.66 1.56 0.02 0.00 0.00 177.57 177.72 2d87 h GLN 113 N 0.25 0.62 -0.83 1.57 1.08 -0.28 -3.20 115.11 114.32 2d87 h GLN 113 Ca 0.53 -0.54 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 2d87 h GLN 113 Cb 1.04 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 28.53 2d87 h GLN 113 CO -0.61 1.15 0.54 0.87 -0.95 0.00 0.00 178.83 179.84 2d87 h LYS 114 N 0.27 0.66 0.00 1.46 1.79 0.14 -3.46 116.57 117.44 2d87 h LYS 114 Ca -0.05 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2d87 h LYS 114 Cb 1.30 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2d87 h LYS 114 CO 0.13 0.44 0.00 0.41 -1.08 0.00 0.00 179.45 179.35 2d87 n GLY 115 N -1.45 1.83 0.13 3.86 0.00 0.02 -5.04 105.19 104.55 2d87 n GLY 115 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.83 0.99 4.77 -0.99 -4.86 117.00 115.94 2d87 n LEU 116 Ca 0.00 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 2d87 n LEU 116 Cb 0.00 -0.85 -0.15 0.00 -2.33 0.00 0.00 43.42 40.09 2d87 n LEU 116 CO 0.00 0.87 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.94 2d87 s VAL 117 N -2.49 1.51 -0.24 4.08 1.01 -1.26 -5.00 120.40 118.00 2d87 s VAL 117 Ca -0.34 -2.02 -0.07 0.00 0.00 0.00 0.00 61.98 59.56 2d87 s VAL 117 Cb 0.09 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2d87 s VAL 117 CO 0.55 -0.70 0.05 -1.59 0.00 0.00 0.00 175.10 173.42 2d87 s LYS 118 N 1.05 3.61 0.13 2.72 -2.85 -1.26 -4.32 119.74 118.81 2d87 s LYS 118 Ca 0.12 -0.50 -0.03 0.00 -1.00 0.00 0.00 55.97 54.56 2d87 s LYS 118 Cb -0.20 -3.27 -0.03 0.00 -2.06 0.00 0.00 37.83 32.27 2d87 s LYS 118 CO -0.14 -0.19 0.11 0.95 0.10 0.00 0.00 175.35 176.18 2d87 s THR 119 N 1.59 0.11 -0.46 3.79 -4.23 -1.26 -5.10 115.64 110.08 2d87 s THR 119 Ca 0.06 -1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 58.55 2d87 s THR 119 Cb -0.15 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 2d87 s THR 119 CO 0.03 -0.48 1.89 -0.54 -0.54 0.00 0.00 174.62 174.98 2d87 s LYS 120 N -4.01 2.93 -0.02 3.99 1.02 -1.26 -4.95 119.74 117.44 2d87 s LYS 120 Ca 0.20 1.10 -0.02 0.00 0.02 0.00 0.00 55.97 57.28 2d87 s LYS 120 Cb 0.06 -4.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.07 2d87 s LYS 120 CO -0.00 -2.35 0.06 0.21 -0.92 0.00 0.00 175.35 172.35 2d87 s LYS 121 N 6.48 0.05 -0.31 1.68 2.20 -1.26 -5.13 119.74 123.44 2d87 s LYS 121 Ca 0.77 0.12 -0.21 0.00 -0.36 0.00 0.00 55.97 56.29 2d87 s LYS 121 Cb -0.18 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 2d87 s LYS 121 CO 0.28 -0.05 0.66 -1.12 -0.36 0.00 0.00 175.35 174.76 2d87 s SER 122 N 0.30 6.51 0.41 1.43 0.01 -1.26 -5.04 113.70 116.07 2d87 s SER 122 Ca -0.02 0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.41 2d87 s SER 122 Cb -0.03 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 2d87 s SER 122 CO -0.01 -0.52 1.25 -0.94 0.41 0.00 0.00 173.24 173.42 2d87 s SER 123 N 1.66 6.34 0.77 2.44 1.04 -1.26 -5.02 113.70 119.68 2d87 s SER 123 Ca 0.26 2.52 -0.12 0.00 0.48 0.00 0.00 55.95 59.10 2d87 s SER 123 Cb -0.15 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.40 2d87 s SER 123 CO 0.12 -0.82 1.12 -0.83 0.98 0.00 0.00 173.24 173.82 2d87 s GLY 124 N -0.93 1.61 -0.47 7.32 0.00 -1.26 -4.96 107.32 108.63 2d87 s GLY 124 Ca 0.58 -0.42 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 2d87 s GLY 124 CO 0.44 0.02 1.78 2.56 0.00 0.00 0.00 173.10 177.89 2d87 s PRO 125 N -5.37 3.04 -0.13 2.90 0.04 -1.26 -4.94 135.00 129.28 2d87 s PRO 125 Ca 0.60 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 62.37 2d87 s PRO 125 Cb -0.12 -4.26 0.06 0.00 0.04 0.00 0.00 34.50 30.22 2d87 s PRO 125 CO 0.52 -2.22 0.64 -1.12 0.04 0.00 0.00 177.00 174.85 2d87 s SER 126 N 6.73 -0.63 -0.72 6.66 0.01 -1.26 -5.10 113.70 119.39 2d87 s SER 126 Ca 0.71 0.92 -0.26 0.00 1.31 0.00 0.00 55.95 58.63 2d87 s SER 126 Cb -0.17 0.85 -0.00 0.00 0.21 0.00 0.00 66.02 66.91 2d87 s SER 126 CO 0.28 -0.44 1.65 -0.55 0.41 0.00 0.00 173.24 174.59 2d87 s SER 127 N -0.57 5.64 0.00 2.44 0.15 -1.26 -5.24 113.70 114.86 2d87 s SER 127 Ca -0.07 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2d87 s SER 127 Cb -0.02 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2d87 s SER 127 CO 0.06 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 172.93