#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b87 s ILE 2 N 0.00 0.82 -0.17 3.17 -4.36 -0.40 -4.98 121.20 115.27 1b87 s ILE 2 Ca 0.00 -0.42 -0.06 0.00 -0.26 0.00 0.00 60.65 59.91 1b87 s ILE 2 Cb 0.00 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.98 1b87 s ILE 2 CO 0.00 0.24 0.03 -0.63 0.24 0.00 0.00 174.94 174.82 1b87 s ILE 3 N -0.11 4.49 0.13 8.37 1.01 -1.26 -1.66 121.20 132.17 1b87 s ILE 3 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 1b87 s ILE 3 Cb -0.05 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.44 1b87 s ILE 3 CO -0.00 0.48 0.34 -1.54 0.00 0.00 0.00 174.94 174.22 1b87 n SER 4 N 3.45 -0.85 -4.76 3.58 3.41 -0.73 -5.02 113.62 112.69 1b87 n SER 4 Ca -0.17 -1.56 -0.40 0.00 -0.26 0.00 0.00 58.87 56.48 1b87 n SER 4 Cb 0.52 1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 65.85 1b87 n SER 4 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1b87 s GLU 5 N -2.03 4.51 0.01 4.33 2.02 -1.26 -1.04 118.70 125.23 1b87 s GLU 5 Ca 0.07 1.93 -0.30 0.00 0.02 0.00 0.00 54.97 56.68 1b87 s GLU 5 Cb -0.02 -3.11 -0.06 0.00 0.10 0.00 0.00 34.13 31.04 1b87 s GLU 5 CO 0.04 0.05 1.45 0.12 0.02 0.00 0.00 175.26 176.95 1b87 s PHE 6 N -1.18 2.74 -0.76 1.61 2.19 0.28 -4.66 117.98 118.19 1b87 s PHE 6 Ca 0.47 0.71 -0.25 0.00 0.33 0.00 0.00 56.93 58.18 1b87 s PHE 6 Cb -0.34 -3.73 -0.04 0.00 -1.31 0.00 0.00 43.02 37.60 1b87 s PHE 6 CO 0.44 -2.75 1.96 0.34 1.83 0.00 0.00 175.22 177.04 1b87 s ASP 7 N 2.03 5.10 0.00 6.13 -1.08 -1.26 -4.79 116.67 122.80 1b87 s ASP 7 Ca 0.66 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 52.61 1b87 s ASP 7 Cb -0.33 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.12 1b87 s ASP 7 CO 0.27 -2.67 0.95 0.54 0.52 0.00 0.00 175.17 174.79 1b87 n ARG 8 N 8.99 0.33 0.00 4.34 1.74 -1.26 -1.87 116.66 128.93 1b87 n ARG 8 Ca 0.33 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.44 1b87 n ARG 8 Cb 0.49 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.51 1b87 n ARG 8 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1b87 n ASN 9 N -0.93 1.18 -4.58 0.55 3.02 -1.26 -4.95 115.26 108.29 1b87 n ASN 9 Ca 0.07 -1.09 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 1b87 n ASN 9 Cb 0.03 0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1b87 n ASN 9 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1b87 s ASN 10 N -0.80 6.57 0.38 6.41 3.84 -0.78 -4.91 114.94 125.64 1b87 s ASN 10 Ca 0.06 0.31 0.10 0.00 0.21 0.00 0.00 52.86 53.53 1b87 s ASN 10 Cb 0.05 -2.49 0.75 0.00 -0.55 0.00 0.00 41.25 39.01 1b87 s ASN 10 CO 0.12 -1.10 1.89 -0.65 -2.79 0.00 0.00 177.10 174.56 1b87 h PRO 11 N 9.06 0.20 -0.24 0.43 0.11 -1.92 -2.81 132.00 136.83 1b87 h PRO 11 Ca -0.23 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.68 1b87 h PRO 11 Cb 1.07 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1b87 h PRO 11 CO 1.06 0.39 -0.39 0.28 -0.21 0.00 0.00 178.00 179.13 1b87 h VAL 12 N 0.19 1.31 -0.67 3.15 2.07 -1.97 -1.64 116.25 118.70 1b87 h VAL 12 Ca 0.04 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.97 1b87 h VAL 12 Cb 0.44 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1b87 h VAL 12 CO 0.03 0.51 0.44 -0.07 0.02 0.00 0.00 177.57 178.49 1b87 h LEU 13 N 0.41 0.75 -0.46 2.57 3.38 -1.88 0.34 115.31 120.41 1b87 h LEU 13 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1b87 h LEU 13 Cb 0.99 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1b87 h LEU 13 CO 0.09 0.54 0.24 0.11 0.09 0.00 0.00 178.44 179.51 1b87 h LYS 14 N 0.89 0.66 -0.36 1.13 1.57 -1.43 -0.24 116.57 118.78 1b87 h LYS 14 Ca 0.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1b87 h LYS 14 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1b87 h LYS 14 CO -0.06 0.54 0.19 -0.44 -0.57 0.00 0.00 179.45 179.10 1b87 h ASP 15 N 0.61 0.46 -0.81 0.86 3.32 -0.88 -0.29 116.42 119.69 1b87 h ASP 15 Ca 0.16 -0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.17 1b87 h ASP 15 Cb 0.08 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1b87 h ASP 15 CO -0.02 0.44 0.53 1.56 -1.72 0.00 0.00 179.24 180.03 1b87 h GLN 16 N 0.45 0.86 -0.25 3.56 4.20 -0.58 0.13 115.11 123.48 1b87 h GLN 16 Ca 0.13 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1b87 h GLN 16 Cb 0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1b87 h GLN 16 CO -0.02 0.57 -0.16 1.25 -0.67 0.00 0.00 178.83 179.80 1b87 h LEU 17 N 0.88 0.58 -0.83 1.46 5.85 -0.51 -1.51 115.31 121.22 1b87 h LEU 17 Ca 0.35 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1b87 h LEU 17 Cb 0.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1b87 h LEU 17 CO -0.12 0.89 0.53 -1.28 -0.34 0.00 0.00 178.44 178.11 1b87 h SER 18 N 0.27 0.86 -0.51 1.25 0.87 -0.04 -0.60 113.55 115.64 1b87 h SER 18 Ca 0.05 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1b87 h SER 18 Cb 0.69 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1b87 h SER 18 CO 0.05 0.58 0.02 0.44 -0.53 0.00 0.00 176.83 177.39 1b87 h ASP 19 N 1.01 0.87 -0.79 6.23 3.32 -0.89 -1.57 116.42 124.60 1b87 h ASP 19 Ca 0.34 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1b87 h ASP 19 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1b87 h ASP 19 CO -0.13 0.95 0.31 0.25 -1.72 0.00 0.00 179.24 178.90 1b87 h LEU 20 N 0.76 1.09 -0.31 1.55 5.85 -0.62 -1.34 115.31 122.28 1b87 h LEU 20 Ca 0.15 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.51 1b87 h LEU 20 Cb 0.49 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1b87 h LEU 20 CO 0.02 0.97 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.48 1b87 h LEU 21 N 1.15 0.97 -1.13 2.25 3.38 -0.98 -2.56 115.31 118.39 1b87 h LEU 21 Ca 0.26 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1b87 h LEU 21 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1b87 h LEU 21 CO -0.02 1.32 -0.39 0.03 0.09 0.00 0.00 178.44 179.47 1b87 h ARG 22 N 0.67 0.09 0.00 1.13 3.08 -1.09 0.28 114.38 118.54 1b87 h ARG 22 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1b87 h ARG 22 Cb 1.15 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1b87 h ARG 22 CO 0.12 0.46 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.00 1b87 h LEU 23 N 0.08 0.00 0.01 3.04 3.38 -1.22 -3.08 115.31 117.52 1b87 h LEU 23 Ca 0.01 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.58 1b87 h LEU 23 Cb 0.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1b87 h LEU 23 CO 0.05 0.11 -2.22 0.41 0.09 0.00 0.00 178.44 176.88 1b87 n THR 24 N -3.00 1.54 -3.40 0.22 -1.04 -0.97 -4.77 114.28 102.87 1b87 n THR 24 Ca 0.02 -0.34 -0.26 0.00 -2.04 0.00 0.00 64.05 61.43 1b87 n THR 24 Cb 0.58 -1.86 -0.08 0.00 -1.82 0.00 0.00 70.33 67.15 1b87 n THR 24 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1b87 n TRP 25 N -4.15 2.45 0.30 -1.42 8.01 0.99 -4.92 117.44 118.70 1b87 n TRP 25 Ca -0.48 -3.99 0.19 0.00 -1.31 0.00 0.00 57.50 51.91 1b87 n TRP 25 Cb 0.86 -0.48 0.92 0.00 -2.01 0.00 0.00 31.31 30.60 1b87 n TRP 25 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1b87 h PRO 26 N 4.27 0.00 0.00 -0.99 0.13 -1.67 -0.14 132.00 133.60 1b87 h PRO 26 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1b87 h PRO 26 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1b87 h PRO 26 CO 0.72 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.44 1b87 h GLU 27 N 0.00 0.00 0.00 0.86 3.07 -1.91 -3.31 114.58 113.29 1b87 h GLU 27 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 1b87 h GLU 27 Cb 0.27 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1b87 h GLU 27 CO 0.00 0.00 -1.89 -1.91 -1.40 0.00 0.00 179.01 173.81 1b87 n GLU 28 N -2.62 1.56 -4.18 2.33 2.13 -0.71 -4.95 120.64 114.21 1b87 n GLU 28 Ca 0.04 0.02 -0.34 0.00 0.66 0.00 0.00 57.16 57.54 1b87 n GLU 28 Cb 0.43 -1.33 -0.15 0.00 0.27 0.00 0.00 31.44 30.66 1b87 n GLU 28 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1b87 s TYR 29 N -2.31 2.84 0.00 4.31 2.02 -0.15 -5.04 117.35 119.02 1b87 s TYR 29 Ca -0.10 -1.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.35 1b87 s TYR 29 Cb 0.04 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1b87 s TYR 29 CO 0.49 -0.63 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1b87 n GLY 30 N 4.51 3.69 0.31 0.71 0.00 -1.26 -4.42 105.19 108.72 1b87 n GLY 30 Ca -0.20 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1b87 n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b87 h ASP 31 N 0.00 0.96 -0.28 1.61 3.32 -1.97 -2.61 116.42 117.45 1b87 h ASP 31 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.70 1b87 h ASP 31 Cb 0.00 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.22 1b87 h ASP 31 CO 0.00 0.97 0.15 -1.20 -1.72 0.00 0.00 179.24 177.45 1b87 n SER 32 N -4.21 3.05 -0.21 6.45 7.64 -1.26 -4.37 113.62 120.71 1b87 n SER 32 Ca 0.04 -2.45 -0.06 0.00 1.01 0.00 0.00 58.87 57.41 1b87 n SER 32 Cb 0.29 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1b87 n SER 32 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1b87 h SER 33 N 0.53 0.73 -0.62 6.43 0.87 -1.83 -2.23 113.55 117.44 1b87 h SER 33 Ca 0.15 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1b87 h SER 33 Cb 1.43 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1b87 h SER 33 CO 0.30 0.57 0.30 0.00 -0.53 0.00 0.00 176.83 177.47 1b87 h ALA 34 N 1.19 1.33 -0.07 6.23 0.00 -1.85 -2.03 119.26 124.06 1b87 h ALA 34 Ca 0.22 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1b87 h ALA 34 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1b87 h ALA 34 CO -0.04 0.52 -0.57 1.49 0.00 0.00 0.00 179.25 180.66 1b87 h GLU 35 N 0.91 0.20 -0.08 0.00 4.57 -1.81 -2.22 114.58 116.15 1b87 h GLU 35 Ca 0.22 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.13 1b87 h GLU 35 Cb 0.10 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1b87 h GLU 35 CO -0.03 0.71 -0.58 0.93 -1.18 0.00 0.00 179.01 178.86 1b87 h GLU 36 N 0.15 0.24 -0.05 1.92 5.08 -0.94 -2.46 114.58 118.53 1b87 h GLU 36 Ca -0.00 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 1b87 h GLU 36 Cb 1.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1b87 h GLU 36 CO 0.09 0.76 -0.73 0.28 -1.00 0.00 0.00 179.01 178.40 1b87 h VAL 37 N 0.18 1.41 0.00 3.13 2.07 -1.25 -2.82 116.25 118.98 1b87 h VAL 37 Ca -0.00 -2.21 -0.07 0.00 0.82 0.00 0.00 66.70 65.24 1b87 h VAL 37 Cb 1.07 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1b87 h VAL 37 CO 0.09 0.65 -0.32 -0.08 0.02 0.00 0.00 177.57 177.94 1b87 h GLU 38 N 0.20 0.00 -0.06 1.57 4.57 -1.18 -1.54 114.58 118.14 1b87 h GLU 38 Ca -0.03 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1b87 h GLU 38 Cb 1.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1b87 h GLU 38 CO 0.12 0.32 -0.64 0.93 -1.18 0.00 0.00 179.01 178.56 1b87 h GLU 39 N 0.00 0.25 0.00 1.92 5.08 -1.24 -2.41 114.58 118.18 1b87 h GLU 39 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1b87 h GLU 39 Cb 0.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1b87 h GLU 39 CO 0.04 0.80 0.00 -1.33 -1.00 0.00 0.00 179.01 177.52 1b87 n MET 40 N -3.85 0.14 0.00 2.33 2.81 -0.63 -2.57 117.12 115.35 1b87 n MET 40 Ca -0.03 0.28 0.13 0.00 -1.81 0.00 0.00 57.70 56.27 1b87 n MET 40 Cb 0.64 -1.72 0.32 0.00 -0.71 0.00 0.00 33.22 31.75 1b87 n MET 40 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1b87 n MET 41 N -1.98 1.08 -1.60 0.03 2.81 -0.89 -4.73 117.12 111.84 1b87 n MET 41 Ca 0.04 -0.71 -0.49 0.00 -1.81 0.00 0.00 57.70 54.74 1b87 n MET 41 Cb 0.28 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 1b87 n MET 41 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1b87 n ASN 42 N -0.34 1.79 -0.25 7.83 2.85 -1.06 -4.87 115.26 121.21 1b87 n ASN 42 Ca 0.13 1.13 0.25 0.00 -0.11 0.00 0.00 54.58 55.98 1b87 n ASN 42 Cb 0.38 -1.26 0.62 0.00 1.24 0.00 0.00 39.78 40.75 1b87 n ASN 42 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1b87 h PRO 43 N 3.96 0.20 0.00 1.20 0.11 -1.92 -1.69 132.00 133.86 1b87 h PRO 43 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1b87 h PRO 43 Cb 1.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1b87 h PRO 43 CO 0.74 0.13 -0.35 1.05 -0.21 0.00 0.00 178.00 179.37 1b87 h GLU 44 N 0.21 0.00 -7.39 1.05 4.11 -1.98 -3.45 114.58 107.13 1b87 h GLU 44 Ca 0.49 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 59.46 1b87 h GLU 44 Cb 1.57 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.93 1b87 h GLU 44 CO -0.12 0.35 0.24 1.03 0.07 0.00 0.00 179.01 180.57 1b87 s ARG 45 N -3.72 1.40 -0.03 1.06 0.52 -0.64 -4.66 118.95 112.88 1b87 s ARG 45 Ca -0.01 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.55 1b87 s ARG 45 Cb 0.11 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 1b87 s ARG 45 CO 0.68 -1.75 -0.26 0.42 0.02 0.00 0.00 175.30 174.41 1b87 s ILE 46 N -3.42 2.05 -0.17 1.52 1.01 -1.00 -4.94 121.20 116.24 1b87 s ILE 46 Ca 0.68 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1b87 s ILE 46 Cb -0.06 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.76 1b87 s ILE 46 CO 0.47 0.58 0.02 0.00 0.00 0.00 0.00 174.94 176.01 1b87 s ALA 47 N -0.47 1.00 -0.13 9.38 0.00 -1.26 -2.61 121.76 127.67 1b87 s ALA 47 Ca 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1b87 s ALA 47 Cb -0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1b87 s ALA 47 CO 0.00 -1.04 -0.16 0.08 0.00 0.00 0.00 175.76 174.64 1b87 s VAL 48 N 1.85 2.69 0.10 0.00 1.01 -0.46 -0.55 120.40 125.04 1b87 s VAL 48 Ca -0.00 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1b87 s VAL 48 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1b87 s VAL 48 CO -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 175.10 175.54 1b87 s ALA 49 N 0.48 3.24 -0.25 5.51 0.00 -0.21 -1.52 121.76 129.02 1b87 s ALA 49 Ca -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1b87 s ALA 49 Cb -0.16 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.87 1b87 s ALA 49 CO 0.05 0.68 -0.11 0.00 0.00 0.00 0.00 175.76 176.38 1b87 s ALA 50 N -1.32 2.57 -0.03 0.00 0.00 -0.16 -1.78 121.76 121.05 1b87 s ALA 50 Ca 0.25 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.62 1b87 s ALA 50 Cb -0.11 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 1b87 s ALA 50 CO 0.18 -1.05 -0.25 0.08 0.00 0.00 0.00 175.76 174.72 1b87 s VAL 51 N 1.16 1.98 -0.06 0.00 1.01 -0.67 -0.87 120.40 122.96 1b87 s VAL 51 Ca -0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1b87 s VAL 51 Cb -0.19 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1b87 s VAL 51 CO -0.06 0.56 0.03 -0.62 0.00 0.00 0.00 175.10 175.01 1b87 s ASP 52 N -0.43 1.37 1.85 3.32 2.15 0.19 -1.28 116.67 123.84 1b87 s ASP 52 Ca 0.05 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1b87 s ASP 52 Cb -0.11 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 1b87 s ASP 52 CO 0.01 -0.21 0.00 0.00 -0.17 0.00 0.00 175.17 174.79 1b87 n GLN 53 N 5.18 0.00 -0.48 4.34 6.02 -1.26 -1.07 117.38 130.11 1b87 n GLN 53 Ca -0.06 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1b87 n GLN 53 Cb 0.50 0.00 0.27 0.00 1.02 0.00 0.00 30.24 32.03 1b87 n GLN 53 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1b87 n ASP 54 N 9.70 4.05 -4.51 1.08 5.75 -1.26 -5.00 116.55 126.35 1b87 n ASP 54 Ca 0.00 -2.81 -0.31 0.00 -0.01 0.00 0.00 54.79 51.66 1b87 n ASP 54 Cb 0.00 -0.52 -0.12 0.00 -1.03 0.00 0.00 41.12 39.45 1b87 n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1b87 s GLU 55 N -2.47 2.30 -0.83 0.11 2.02 -0.23 -5.05 118.70 114.54 1b87 s GLU 55 Ca 0.42 -0.85 -0.18 0.00 0.02 0.00 0.00 54.97 54.37 1b87 s GLU 55 Cb 0.32 -2.33 0.13 0.00 0.10 0.00 0.00 34.13 32.35 1b87 s GLU 55 CO 0.12 0.57 0.99 -1.17 0.02 0.00 0.00 175.26 175.79 1b87 s LEU 56 N -1.36 5.30 0.00 1.80 2.96 -1.26 -0.64 118.68 125.48 1b87 s LEU 56 Ca 0.15 -1.94 0.30 0.00 -0.22 0.00 0.00 54.13 52.42 1b87 s LEU 56 Cb -0.11 -2.36 1.51 0.00 0.50 0.00 0.00 46.19 45.73 1b87 s LEU 56 CO 0.06 -1.04 2.04 1.33 -1.32 0.00 0.00 176.35 177.42 1b87 n VAL 57 N 5.31 0.00 -3.60 1.68 0.24 -0.05 -4.76 118.33 117.15 1b87 n VAL 57 Ca 0.14 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.34 62.39 1b87 n VAL 57 Cb 0.47 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.37 1b87 n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1b87 s GLY 58 N -2.53 -0.23 -0.06 7.63 0.00 -0.91 -1.31 107.32 109.91 1b87 s GLY 58 Ca 0.30 1.82 -0.24 0.00 0.00 0.00 0.00 44.72 46.60 1b87 s GLY 58 CO 0.46 0.66 0.53 -0.12 0.00 0.00 0.00 173.10 174.63 1b87 s PHE 59 N -2.10 -0.48 -0.08 1.90 5.36 -0.35 -0.98 117.98 121.25 1b87 s PHE 59 Ca 0.08 0.85 -0.10 0.00 -0.96 0.00 0.00 56.93 56.81 1b87 s PHE 59 Cb -0.01 0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.96 1b87 s PHE 59 CO -0.05 -0.49 0.26 -1.50 -1.46 0.00 0.00 175.22 171.98 1b87 s ILE 60 N -1.07 0.02 0.12 3.12 2.07 -0.57 -1.75 121.20 123.13 1b87 s ILE 60 Ca -0.11 -0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.00 1b87 s ILE 60 Cb -0.02 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 1b87 s ILE 60 CO 0.07 -0.07 0.03 -0.83 -1.91 0.00 0.00 174.94 172.23 1b87 s GLY 61 N -0.20 0.91 -0.08 1.50 0.00 -0.02 -1.36 107.32 108.06 1b87 s GLY 61 Ca -0.03 -1.43 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 1b87 s GLY 61 CO 0.01 -1.37 0.21 0.00 0.00 0.00 0.00 173.10 171.95 1b87 s ALA 62 N -3.97 -0.50 -0.09 3.20 0.00 -1.07 -0.82 121.76 118.51 1b87 s ALA 62 Ca 0.20 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 1b87 s ALA 62 Cb 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1b87 s ALA 62 CO -0.00 -0.13 -0.07 0.42 0.00 0.00 0.00 175.76 175.98 1b87 s ILE 63 N 0.53 3.67 -0.84 0.00 1.01 -0.39 -2.38 121.20 122.81 1b87 s ILE 63 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.91 1b87 s ILE 63 Cb -0.05 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 39.96 1b87 s ILE 63 CO -0.03 0.57 1.22 -2.16 0.00 0.00 0.00 174.94 174.54 1b87 s PRO 64 N -0.46 3.37 0.08 2.79 0.04 -1.26 -0.41 135.00 139.15 1b87 s PRO 64 Ca 0.07 -0.97 0.11 0.00 0.04 0.00 0.00 61.00 60.25 1b87 s PRO 64 Cb -0.12 -4.69 -0.17 0.00 0.04 0.00 0.00 34.50 29.56 1b87 s PRO 64 CO 0.02 -2.00 1.03 1.96 0.04 0.00 0.00 177.00 178.05 1b87 h GLN 65 N 9.59 0.00 -3.13 4.56 1.08 -1.54 -3.41 115.11 122.25 1b87 h GLN 65 Ca -0.05 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.53 1b87 h GLN 65 Cb 1.04 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.06 1b87 h GLN 65 CO 1.26 0.66 -0.70 0.71 -0.95 0.00 0.00 178.83 179.81 1b87 s TYR 66 N -2.74 2.44 0.00 2.96 1.51 -0.75 -5.00 117.35 115.77 1b87 s TYR 66 Ca -0.01 -2.72 0.00 0.00 -1.01 0.00 0.00 57.07 53.33 1b87 s TYR 66 Cb 0.09 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1b87 s TYR 66 CO 0.81 -0.76 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1b87 n GLY 67 N 3.35 3.68 0.08 0.71 0.00 -1.26 -1.44 105.19 110.31 1b87 n GLY 67 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1b87 n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b87 n ILE 68 N 0.00 0.61 -0.04 -0.61 -5.35 -1.26 -4.68 119.36 108.03 1b87 n ILE 68 Ca 0.00 -0.81 -0.11 0.00 -0.27 0.00 0.00 62.75 61.57 1b87 n ILE 68 Cb 0.00 0.71 -0.14 0.00 -1.74 0.00 0.00 39.64 38.46 1b87 n ILE 68 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1b87 n THR 69 N -0.18 1.58 -3.95 7.28 -2.24 -0.66 -2.34 114.28 113.78 1b87 n THR 69 Ca 0.01 -0.78 -0.34 0.00 -2.27 0.00 0.00 64.05 60.67 1b87 n THR 69 Cb 0.19 -1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 67.25 1b87 n THR 69 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1b87 s GLY 70 N -5.29 1.75 0.02 3.38 0.00 -0.52 -1.37 107.32 105.29 1b87 s GLY 70 Ca -0.09 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.82 1b87 s GLY 70 CO 0.81 0.70 -0.01 -0.98 0.00 0.00 0.00 173.10 173.62 1b87 s TRP 71 N 1.19 3.04 -0.17 1.90 0.52 -0.14 -1.27 118.94 124.01 1b87 s TRP 71 Ca -0.05 0.05 -0.07 0.00 0.02 0.00 0.00 56.10 56.05 1b87 s TRP 71 Cb -0.20 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1b87 s TRP 71 CO -0.02 0.45 0.07 -2.00 0.02 0.00 0.00 176.95 175.47 1b87 s GLU 72 N -1.68 3.85 -0.69 4.98 2.12 0.45 -0.64 118.70 127.08 1b87 s GLU 72 Ca 0.20 -0.32 -0.25 0.00 0.36 0.00 0.00 54.97 54.96 1b87 s GLU 72 Cb -0.11 -3.18 0.04 0.00 0.26 0.00 0.00 34.13 31.13 1b87 s GLU 72 CO 0.11 0.37 1.15 -1.17 -0.54 0.00 0.00 175.26 175.18 1b87 s LEU 73 N 0.11 3.65 -0.28 2.70 2.96 0.10 -1.26 118.68 126.66 1b87 s LEU 73 Ca 0.05 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1b87 s LEU 73 Cb -0.12 -2.56 0.13 0.00 0.50 0.00 0.00 46.19 44.14 1b87 s LEU 73 CO 0.00 -1.65 0.59 -2.28 -1.32 0.00 0.00 176.35 171.69 1b87 s HIS 74 N 5.03 -1.25 0.13 5.38 2.46 0.00 -4.77 115.29 122.27 1b87 s HIS 74 Ca 0.31 2.07 0.01 0.00 0.47 0.00 0.00 55.06 57.92 1b87 s HIS 74 Cb -0.11 0.66 0.01 0.00 -0.13 0.00 0.00 32.58 33.01 1b87 s HIS 74 CO 0.14 -0.66 0.12 -0.35 -2.47 0.00 0.00 174.74 171.53 1b87 n PRO 75 N 5.43 1.18 -3.46 2.88 -0.04 -1.25 -3.60 135.00 136.14 1b87 n PRO 75 Ca -0.10 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.49 1b87 n PRO 75 Cb 0.49 0.04 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 1b87 n PRO 75 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1b87 s LEU 76 N 0.00 -0.55 -0.06 1.53 2.96 -1.26 -0.84 118.68 120.45 1b87 s LEU 76 Ca 0.09 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.34 1b87 s LEU 76 Cb -0.01 1.05 0.02 0.00 0.50 0.00 0.00 46.19 47.76 1b87 s LEU 76 CO 0.06 -0.28 0.16 0.54 -1.32 0.00 0.00 176.35 175.50 1b87 s VAL 77 N 2.53 -0.02 -0.03 1.68 0.11 -0.72 -5.02 120.40 118.93 1b87 s VAL 77 Ca 0.08 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.28 1b87 s VAL 77 Cb -0.14 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1b87 s VAL 77 CO -0.14 0.03 -0.26 -0.69 -3.33 0.00 0.00 175.10 170.71 1b87 s VAL 78 N 0.52 2.03 0.27 2.04 1.01 -1.26 -1.21 120.40 123.80 1b87 s VAL 78 Ca -0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1b87 s VAL 78 Cb -0.05 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.51 1b87 s VAL 78 CO -0.02 0.57 1.27 1.21 0.00 0.00 0.00 175.10 178.12 1b87 n GLU 79 N 2.52 1.81 -0.22 2.72 2.13 -0.43 -4.83 120.64 124.34 1b87 n GLU 79 Ca -0.16 0.64 0.24 0.00 0.66 0.00 0.00 57.16 58.54 1b87 n GLU 79 Cb 0.51 -2.20 0.62 0.00 0.27 0.00 0.00 31.44 30.64 1b87 n GLU 79 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1b87 h SER 80 N 3.24 0.20 -0.20 4.31 4.64 -1.99 0.21 113.55 123.96 1b87 h SER 80 Ca -0.44 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1b87 h SER 80 Cb 1.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1b87 h SER 80 CO 0.69 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.18 1b87 n SER 81 N -4.40 1.60 0.00 4.97 3.41 -1.26 -4.01 113.62 113.93 1b87 n SER 81 Ca 0.20 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1b87 n SER 81 Cb 0.86 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1b87 n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b87 n ARG 82 N 0.30 1.51 -1.67 4.33 5.12 0.73 -5.08 116.66 121.90 1b87 n ARG 82 Ca 0.15 -1.05 -0.31 0.00 -1.93 0.00 0.00 57.85 54.71 1b87 n ARG 82 Cb 0.30 -0.90 0.04 0.00 -1.16 0.00 0.00 32.46 30.74 1b87 n ARG 82 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1b87 s ARG 83 N -0.58 3.03 -1.51 5.56 0.52 -1.16 -4.01 118.95 120.80 1b87 s ARG 83 Ca 0.00 0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 56.04 1b87 s ARG 83 Cb 0.00 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1b87 s ARG 83 CO 0.00 -1.00 0.18 1.63 0.02 0.00 0.00 175.30 176.13 1b87 n LYS 84 N -3.05 -2.45 -0.33 3.54 4.76 -1.26 -4.87 118.16 114.50 1b87 n LYS 84 Ca 0.07 0.87 0.06 0.00 -2.87 0.00 0.00 58.31 56.43 1b87 n LYS 84 Cb 0.54 -5.43 0.08 0.00 -1.84 0.00 0.00 35.03 28.38 1b87 n LYS 84 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1b87 n ASN 85 N -1.69 1.34 0.00 4.39 4.05 -1.26 -5.01 115.26 117.09 1b87 n ASN 85 Ca -0.18 -2.67 0.00 0.00 0.45 0.00 0.00 54.58 52.18 1b87 n ASN 85 Cb 0.65 -0.34 0.00 0.00 1.23 0.00 0.00 39.78 41.32 1b87 n ASN 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1b87 n GLN 86 N -0.78 -0.20 -0.26 1.20 6.02 -1.26 -4.92 117.38 117.18 1b87 n GLN 86 Ca 0.10 0.05 -0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1b87 n GLN 86 Cb 0.69 -3.22 0.05 0.00 1.02 0.00 0.00 30.24 28.78 1b87 n GLN 86 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1b87 h ILE 87 N 0.00 1.23 -0.34 5.09 2.04 -1.95 -1.22 117.51 122.36 1b87 h ILE 87 Ca 0.00 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1b87 h ILE 87 Cb 0.10 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1b87 h ILE 87 CO 0.00 0.27 0.20 1.23 0.00 0.00 0.00 178.15 179.84 1b87 h GLY 88 N 0.99 0.47 1.00 5.37 0.00 -1.93 0.82 103.07 109.79 1b87 h GLY 88 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1b87 h GLY 88 CO -0.03 0.13 0.32 -0.84 0.00 0.00 0.00 176.54 176.11 1b87 h THR 89 N 0.40 1.12 -0.14 4.70 2.02 -1.91 0.02 112.91 119.12 1b87 h THR 89 Ca 0.13 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1b87 h THR 89 Cb 0.00 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1b87 h THR 89 CO -0.06 0.12 -0.31 0.03 0.37 0.00 0.00 175.52 175.66 1b87 h ARG 90 N 0.65 0.28 -0.13 6.66 3.08 -0.86 -1.66 114.38 122.39 1b87 h ARG 90 Ca 0.18 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1b87 h ARG 90 Cb -0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1b87 h ARG 90 CO -0.04 0.57 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.11 1b87 h LEU 91 N 0.24 0.44 -0.40 3.04 3.38 -0.41 -1.63 115.31 119.97 1b87 h LEU 91 Ca 0.03 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1b87 h LEU 91 Cb 0.68 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1b87 h LEU 91 CO 0.05 0.91 0.22 0.58 0.09 0.00 0.00 178.44 180.29 1b87 h VAL 92 N -0.02 1.15 -0.92 1.22 2.07 -0.90 -0.32 116.25 118.53 1b87 h VAL 92 Ca 0.00 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1b87 h VAL 92 Cb 0.84 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1b87 h VAL 92 CO 0.06 0.16 0.52 0.78 0.02 0.00 0.00 177.57 179.11 1b87 h ASN 93 N 0.52 1.14 -0.63 0.57 2.35 -1.34 -1.49 115.58 116.69 1b87 h ASN 93 Ca 0.14 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1b87 h ASN 93 Cb 0.06 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1b87 h ASN 93 CO -0.02 0.90 0.14 0.22 -1.65 0.00 0.00 177.43 177.01 1b87 h TYR 94 N 1.28 1.07 -0.66 1.19 5.03 -0.88 -2.90 116.97 121.12 1b87 h TYR 94 Ca 0.33 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1b87 h TYR 94 Cb -0.00 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 37.95 1b87 h TYR 94 CO 0.01 0.90 0.32 1.25 -1.32 0.00 0.00 178.16 179.32 1b87 h LEU 95 N 0.93 0.85 -1.12 2.82 5.85 -0.60 -2.65 115.31 121.40 1b87 h LEU 95 Ca 0.20 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1b87 h LEU 95 Cb 0.38 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1b87 h LEU 95 CO 0.01 0.74 0.60 -0.33 -0.34 0.00 0.00 178.44 179.12 1b87 h GLU 96 N 0.91 1.05 -0.02 1.25 5.08 -1.09 0.21 114.58 121.98 1b87 h GLU 96 Ca 0.23 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 1b87 h GLU 96 Cb 0.11 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1b87 h GLU 96 CO -0.03 0.70 -0.74 0.87 -1.00 0.00 0.00 179.01 178.80 1b87 h LYS 97 N 1.09 0.13 -0.24 2.33 1.57 -1.37 -1.30 116.57 118.77 1b87 h LYS 97 Ca 0.39 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1b87 h LYS 97 Cb 0.14 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1b87 h LYS 97 CO -0.14 0.81 0.01 0.93 -0.57 0.00 0.00 179.45 180.49 1b87 h GLU 98 N 0.09 0.43 -0.12 3.15 4.39 -1.00 -2.17 114.58 119.35 1b87 h GLU 98 Ca -0.02 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1b87 h GLU 98 Cb 1.31 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1b87 h GLU 98 CO 0.11 0.60 0.02 0.28 -1.16 0.00 0.00 179.01 178.86 1b87 h VAL 99 N 0.21 1.21 -0.68 3.13 2.07 -0.96 -3.00 116.25 118.23 1b87 h VAL 99 Ca 0.07 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1b87 h VAL 99 Cb 0.40 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1b87 h VAL 99 CO 0.01 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.13 1b87 h ALA 100 N 0.80 0.92 0.00 1.67 0.00 -1.21 -0.05 119.26 121.39 1b87 h ALA 100 Ca 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1b87 h ALA 100 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1b87 h ALA 100 CO 0.00 -0.06 -0.15 0.66 0.00 0.00 0.00 179.25 179.70 1b87 h SER 101 N 0.58 0.00 -0.22 0.00 4.64 -1.36 -1.27 113.55 115.92 1b87 h SER 101 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1b87 h SER 101 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1b87 h SER 101 CO -0.26 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.40 1b87 n ARG 102 N -4.05 1.64 -0.24 4.77 1.74 -0.45 -4.89 116.66 115.19 1b87 n ARG 102 Ca -0.02 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1b87 n ARG 102 Cb 0.24 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1b87 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b87 n GLY 103 N 1.02 0.78 3.77 -0.13 0.00 -0.48 -4.92 105.19 105.23 1b87 n GLY 103 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1b87 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b87 s GLY 104 N -1.70 2.85 -0.09 -0.02 0.00 -0.16 -4.31 107.32 103.89 1b87 s GLY 104 Ca 0.00 0.96 0.05 0.00 0.00 0.00 0.00 44.72 45.73 1b87 s GLY 104 CO 0.00 1.47 -0.02 1.39 0.00 0.00 0.00 173.10 175.93 1b87 n ILE 105 N 0.01 0.61 -3.86 0.90 5.41 -0.47 -4.30 119.36 117.66 1b87 n ILE 105 Ca 0.05 -0.32 -0.11 0.00 1.00 0.00 0.00 62.75 63.36 1b87 n ILE 105 Cb 0.47 -0.82 -0.10 0.00 -0.71 0.00 0.00 39.64 38.48 1b87 n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1b87 s THR 106 N -2.21 0.07 -0.09 1.39 -1.32 -0.83 -1.57 115.64 111.08 1b87 s THR 106 Ca -0.08 -0.57 0.03 0.00 -1.21 0.00 0.00 61.69 59.86 1b87 s THR 106 Cb 0.03 -0.40 0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1b87 s THR 106 CO 0.31 -0.31 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.59 1b87 s ILE 107 N -1.13 1.73 0.35 5.08 1.01 -0.57 -0.97 121.20 126.71 1b87 s ILE 107 Ca -0.12 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1b87 s ILE 107 Cb -0.06 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 1b87 s ILE 107 CO 0.01 0.49 0.05 -0.72 0.00 0.00 0.00 174.94 174.77 1b87 s TYR 108 N 0.54 2.06 0.20 3.97 1.13 0.18 -1.51 117.35 123.93 1b87 s TYR 108 Ca -0.15 -0.92 -0.23 0.00 -1.41 0.00 0.00 57.07 54.35 1b87 s TYR 108 Cb -0.17 -1.39 0.05 0.00 -1.10 0.00 0.00 41.96 39.35 1b87 s TYR 108 CO 0.06 0.08 0.75 -0.48 -2.51 0.00 0.00 175.55 173.45 1b87 s LEU 109 N -3.55 -0.33 -0.08 -3.49 0.05 0.02 0.00 118.68 111.30 1b87 s LEU 109 Ca 0.34 -0.37 0.01 0.00 0.05 0.00 0.00 54.13 54.16 1b87 s LEU 109 Cb 0.08 2.53 0.02 0.00 -2.05 0.00 0.00 46.19 46.77 1b87 s LEU 109 CO 0.15 -1.11 -0.08 -0.83 -0.55 0.00 0.00 176.35 173.94 1b87 s GLY 110 N -2.84 0.74 -0.20 -3.48 0.00 -1.26 -1.50 107.32 98.77 1b87 s GLY 110 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1b87 s GLY 110 CO -0.00 0.52 -0.07 -1.08 0.00 0.00 0.00 173.10 172.47 1b87 s THR 111 N 1.23 1.44 0.45 0.90 -1.32 -0.48 -4.94 115.64 112.92 1b87 s THR 111 Ca -0.05 -0.97 -0.21 0.00 -1.21 0.00 0.00 61.69 59.25 1b87 s THR 111 Cb -0.14 -1.62 -0.10 0.00 -1.51 0.00 0.00 72.50 69.14 1b87 s THR 111 CO -0.02 0.06 1.00 -1.81 -2.21 0.00 0.00 174.62 171.63 1b87 s ASP 112 N 1.47 6.64 -0.82 8.08 1.11 -1.26 -1.61 116.67 130.27 1b87 s ASP 112 Ca -0.02 1.84 -0.03 0.00 0.18 0.00 0.00 52.55 54.51 1b87 s ASP 112 Cb -0.17 -2.55 0.21 0.00 1.07 0.00 0.00 42.92 41.47 1b87 s ASP 112 CO -0.07 -0.57 0.70 -0.62 1.18 0.00 0.00 175.17 175.78 1b87 s ASP 113 N -2.03 5.91 0.10 0.27 2.15 -0.80 -4.88 116.67 117.38 1b87 s ASP 113 Ca 0.64 -3.39 0.20 0.00 0.43 0.00 0.00 52.55 50.43 1b87 s ASP 113 Cb -0.14 -1.93 -0.11 0.00 -0.30 0.00 0.00 42.92 40.44 1b87 s ASP 113 CO 0.18 -0.27 0.83 0.18 -0.17 0.00 0.00 175.17 175.92 1b87 n LEU 114 N 2.80 0.71 -1.31 -1.34 4.77 -1.26 -4.28 117.00 117.09 1b87 n LEU 114 Ca 0.17 0.29 0.07 0.00 -0.03 0.00 0.00 56.01 56.51 1b87 n LEU 114 Cb 0.38 0.03 0.31 0.00 -2.33 0.00 0.00 43.42 41.81 1b87 n LEU 114 CO 0.36 0.00 0.79 -0.90 -1.33 0.00 0.00 177.39 176.31 1b87 n ASP 115 N -2.71 4.51 -3.64 -1.43 5.75 -1.26 -4.94 116.55 112.83 1b87 n ASP 115 Ca -0.06 -3.04 -0.21 0.00 -0.01 0.00 0.00 54.79 51.47 1b87 n ASP 115 Cb 0.70 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 40.23 1b87 n ASP 115 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1b87 n HIS 116 N -0.15 -2.08 1.01 2.11 -0.00 -1.26 -4.90 115.22 109.95 1b87 n HIS 116 Ca 0.25 0.89 0.12 0.00 -0.00 0.00 0.00 57.72 58.98 1b87 n HIS 116 Cb 1.04 -4.60 0.26 0.00 -0.00 0.00 0.00 29.99 26.69 1b87 n HIS 116 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b87 n GLY 117 N -1.48 0.82 3.03 1.57 0.00 -1.26 -4.62 105.19 103.25 1b87 n GLY 117 Ca -0.25 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1b87 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b87 s THR 118 N -1.87 0.16 -2.00 2.61 2.01 -1.26 -0.43 115.64 114.86 1b87 s THR 118 Ca 0.33 -1.33 0.20 0.00 0.31 0.00 0.00 61.69 61.21 1b87 s THR 118 Cb 0.20 -0.85 0.58 0.00 0.01 0.00 0.00 72.50 72.45 1b87 s THR 118 CO 0.31 -0.73 1.66 0.35 -0.69 0.00 0.00 174.62 175.51 1b87 n THR 119 N 0.91 0.00 1.12 -0.82 -2.24 -0.87 -2.83 114.28 109.55 1b87 n THR 119 Ca -0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1b87 n THR 119 Cb 0.58 -0.51 0.44 0.00 -2.10 0.00 0.00 70.33 68.74 1b87 n THR 119 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1b87 n LEU 120 N -0.90 0.42 -4.97 3.22 4.77 -1.26 -4.85 117.00 113.43 1b87 n LEU 120 Ca 0.15 0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 1b87 n LEU 120 Cb 0.07 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1b87 n LEU 120 CO 0.11 0.09 0.09 -0.94 -1.33 0.00 0.00 177.39 175.41 1b87 s SER 121 N -2.82 5.59 -1.34 -1.43 1.04 -1.13 -4.56 113.70 109.05 1b87 s SER 121 Ca 0.17 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1b87 s SER 121 Cb 0.19 -0.79 -0.00 0.00 0.10 0.00 0.00 66.02 65.52 1b87 s SER 121 CO 0.58 -0.64 0.59 0.00 0.98 0.00 0.00 173.24 174.75 1b87 n GLN 122 N -1.71 -4.01 -3.59 4.02 6.02 -0.04 -4.96 117.38 113.10 1b87 n GLN 122 Ca 0.05 0.52 -0.12 0.00 -0.01 0.00 0.00 57.00 57.44 1b87 n GLN 122 Cb 0.59 -4.86 -0.06 0.00 1.02 0.00 0.00 30.24 26.94 1b87 n GLN 122 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1b87 s THR 123 N -3.78 0.00 -0.54 5.09 -1.32 -1.26 -5.10 115.64 108.73 1b87 s THR 123 Ca 0.03 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.23 1b87 s THR 123 Cb -0.01 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1b87 s THR 123 CO 0.85 0.00 1.61 -0.62 -2.21 0.00 0.00 174.62 174.24 1b87 s ASP 124 N -0.53 5.84 0.00 8.08 -1.08 -1.26 -4.70 116.67 123.02 1b87 s ASP 124 Ca -0.02 0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.66 1b87 s ASP 124 Cb -0.02 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.96 1b87 s ASP 124 CO 0.01 -1.90 1.58 0.18 0.52 0.00 0.00 175.17 175.56 1b87 n LEU 125 N 10.60 0.00 0.00 -1.34 4.77 -1.26 -2.02 117.00 127.75 1b87 n LEU 125 Ca 0.16 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1b87 n LEU 125 Cb 0.50 -0.17 0.28 0.00 -2.33 0.00 0.00 43.42 41.70 1b87 n LEU 125 CO 0.71 -0.06 0.50 -1.22 -1.33 0.00 0.00 177.39 175.98 1b87 n TYR 126 N -1.17 0.00 -3.43 -1.77 4.01 -1.26 -3.88 117.16 109.66 1b87 n TYR 126 Ca 0.11 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.45 1b87 n TYR 126 Cb 0.12 -0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 38.77 1b87 n TYR 126 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1b87 s GLU 127 N -3.00 3.59 -1.46 -0.72 0.41 -0.86 -4.31 118.70 112.35 1b87 s GLU 127 Ca 0.11 -0.44 -0.09 0.00 -0.41 0.00 0.00 54.97 54.15 1b87 s GLU 127 Cb 0.18 -3.79 0.06 0.00 -1.78 0.00 0.00 34.13 28.79 1b87 s GLU 127 CO 0.68 -0.48 0.87 0.72 -0.49 0.00 0.00 175.26 176.56 1b87 n HIS 128 N 5.31 -2.15 -0.27 1.61 8.25 -1.26 -4.86 115.22 121.86 1b87 n HIS 128 Ca -0.10 0.88 -0.08 0.00 -0.26 0.00 0.00 57.72 58.16 1b87 n HIS 128 Cb 0.50 -4.09 -0.07 0.00 1.12 0.00 0.00 29.99 27.45 1b87 n HIS 128 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1b87 h THR 129 N -2.01 0.00 0.00 1.59 2.02 -1.75 -0.70 112.91 112.07 1b87 h THR 129 Ca -0.59 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1b87 h THR 129 Cb 1.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1b87 h THR 129 CO 0.64 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 176.27 1b87 h PHE 130 N -0.04 0.00 -0.03 3.16 0.04 -1.89 -2.13 116.94 116.04 1b87 h PHE 130 Ca 0.10 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.68 1b87 h PHE 130 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1b87 h PHE 130 CO -0.96 0.00 -0.81 -0.44 -0.60 0.00 0.00 178.31 175.50 1b87 h ASP 131 N 0.00 0.41 -0.11 2.17 3.32 -1.75 -2.61 116.42 117.85 1b87 h ASP 131 Ca 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 1b87 h ASP 131 Cb 0.78 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1b87 h ASP 131 CO 0.00 1.06 -0.25 0.11 -1.72 0.00 0.00 179.24 178.44 1b87 h LYS 132 N 0.21 0.36 -0.96 3.56 1.57 -0.91 -2.33 116.57 118.06 1b87 h LYS 132 Ca -0.04 -0.24 0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1b87 h LYS 132 Cb 1.41 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.68 1b87 h LYS 132 CO 0.13 0.85 0.61 0.28 -0.57 0.00 0.00 179.45 180.76 1b87 h VAL 133 N -0.07 0.96 -0.23 0.50 2.07 -1.41 -1.77 116.25 116.30 1b87 h VAL 133 Ca -0.00 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1b87 h VAL 133 Cb 0.85 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1b87 h VAL 133 CO 0.06 0.18 -0.45 0.00 0.02 0.00 0.00 177.57 177.38 1b87 h ALA 134 N 1.54 0.80 -0.51 1.67 0.00 -1.39 -3.13 119.26 118.24 1b87 h ALA 134 Ca 0.46 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b87 h ALA 134 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1b87 h ALA 134 CO -0.22 0.66 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1b87 n SER 135 N -4.01 5.14 -4.61 0.00 3.41 -0.74 -5.01 113.62 107.80 1b87 n SER 135 Ca -0.02 -2.80 -0.39 0.00 -0.26 0.00 0.00 58.87 55.39 1b87 n SER 135 Cb 0.54 -0.66 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1b87 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b87 n ILE 136 N 0.57 2.98 -3.99 -1.33 3.06 -0.76 -5.03 119.36 114.85 1b87 n ILE 136 Ca 0.24 -0.50 -0.13 0.00 -2.50 0.00 0.00 62.75 59.87 1b87 n ILE 136 Cb 1.08 -1.16 -0.13 0.00 0.54 0.00 0.00 39.64 39.96 1b87 n ILE 136 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1b87 s GLN 137 N -2.36 0.24 -0.27 9.51 -0.21 -1.26 -4.99 119.66 120.31 1b87 s GLN 137 Ca 0.69 -0.25 -0.22 0.00 0.02 0.00 0.00 55.36 55.61 1b87 s GLN 137 Cb -0.48 -0.13 -0.01 0.00 1.00 0.00 0.00 33.01 33.38 1b87 s GLN 137 CO 0.53 0.03 0.69 1.21 -2.12 0.00 0.00 175.29 175.63 1b87 s ASN 138 N -0.47 6.62 -0.23 5.90 3.84 -1.26 -2.04 114.94 127.30 1b87 s ASN 138 Ca -0.03 0.71 0.07 0.00 0.21 0.00 0.00 52.86 53.82 1b87 s ASN 138 Cb -0.03 -2.37 -0.20 0.00 -0.55 0.00 0.00 41.25 38.10 1b87 s ASN 138 CO -0.00 -0.45 -0.10 0.18 -2.79 0.00 0.00 177.10 173.94 1b87 n LEU 139 N 5.87 1.95 -2.56 3.21 4.77 0.43 -4.74 117.00 125.94 1b87 n LEU 139 Ca 0.01 -0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1b87 n LEU 139 Cb 0.48 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1b87 n LEU 139 CO 0.45 0.78 0.03 0.54 -1.33 0.00 0.00 177.39 177.87 1b87 n ARG 140 N -3.10 2.26 -3.84 3.23 1.74 -0.76 -4.98 116.66 111.22 1b87 n ARG 140 Ca -0.41 -3.82 -0.26 0.00 -0.77 0.00 0.00 57.85 52.59 1b87 n ARG 140 Cb 1.05 -1.74 0.02 0.00 -1.02 0.00 0.00 32.46 30.77 1b87 n ARG 140 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1b87 n GLU 141 N -0.33 -4.80 -2.45 5.56 4.07 -1.26 -4.91 120.64 116.52 1b87 n GLU 141 Ca 0.23 0.57 -0.41 0.00 -0.06 0.00 0.00 57.16 57.48 1b87 n GLU 141 Cb 0.77 -5.18 -0.03 0.00 -0.06 0.00 0.00 31.44 26.94 1b87 n GLU 141 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1b87 s HIS 142 N -3.57 3.50 -0.12 4.31 5.65 -1.26 -4.93 115.29 118.87 1b87 s HIS 142 Ca 0.26 1.47 0.15 0.00 0.25 0.00 0.00 55.06 57.18 1b87 s HIS 142 Cb -0.13 -3.36 0.80 0.00 -1.18 0.00 0.00 32.58 28.71 1b87 s HIS 142 CO 0.84 -0.95 1.38 -0.35 -0.65 0.00 0.00 174.74 175.00 1b87 n PRO 143 N 2.92 0.10 -0.24 2.88 -0.04 -1.26 -2.78 135.00 136.58 1b87 n PRO 143 Ca 0.05 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 64.17 1b87 n PRO 143 Cb 0.46 -2.01 0.34 0.00 -0.04 0.00 0.00 33.50 32.25 1b87 n PRO 143 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1b87 h TYR 144 N 0.00 0.83 0.00 0.54 -0.00 -1.95 -0.21 116.97 116.18 1b87 h TYR 144 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 58.73 58.68 1b87 h TYR 144 Cb 0.38 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 36.83 1b87 h TYR 144 CO 0.00 0.39 -0.35 1.49 -0.00 0.00 0.00 178.16 179.69 1b87 h GLU 145 N 0.78 0.00 0.50 0.10 4.81 -1.93 -1.63 114.58 117.20 1b87 h GLU 145 Ca 0.38 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1b87 h GLU 145 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1b87 h GLU 145 CO -0.15 0.35 -0.24 0.35 -0.73 0.00 0.00 179.01 178.59 1b87 h PHE 146 N 0.00 -0.62 -0.37 0.92 3.57 -1.24 -0.64 116.94 118.56 1b87 h PHE 146 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1b87 h PHE 146 Cb 0.68 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1b87 h PHE 146 CO 0.00 -0.33 0.16 1.88 -2.23 0.00 0.00 178.31 177.79 1b87 h TYR 147 N -0.80 0.50 -0.71 0.41 0.05 -1.38 -1.93 116.97 113.10 1b87 h TYR 147 Ca -0.07 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1b87 h TYR 147 Cb 0.57 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1b87 h TYR 147 CO -0.01 0.39 0.31 1.49 -1.05 0.00 0.00 178.16 179.28 1b87 h GLU 148 N 0.51 1.05 0.00 4.88 4.81 -1.04 -0.73 114.58 124.06 1b87 h GLU 148 Ca 0.13 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1b87 h GLU 148 Cb 0.08 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1b87 h GLU 148 CO -0.02 0.85 0.00 1.63 -0.73 0.00 0.00 179.01 180.74 1b87 n LYS 149 N -4.39 0.13 -0.24 1.92 5.02 -0.27 -1.87 118.16 118.47 1b87 n LYS 149 Ca 0.06 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1b87 n LYS 149 Cb 0.16 -1.74 0.25 0.00 -0.02 0.00 0.00 35.03 33.68 1b87 n LYS 149 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1b87 n LEU 150 N -1.98 3.61 0.00 -0.35 4.77 -0.47 -4.96 117.00 117.63 1b87 n LEU 150 Ca 0.03 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 1b87 n LEU 150 Cb 0.23 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1b87 n LEU 150 CO 0.19 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1b87 n GLY 151 N 1.56 0.64 3.80 -0.72 0.00 -0.78 -5.06 105.19 104.63 1b87 n GLY 151 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1b87 n GLY 151 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b87 s TYR 152 N -2.09 3.77 0.11 1.61 1.51 -0.41 -4.81 117.35 117.05 1b87 s TYR 152 Ca 0.00 1.52 0.10 0.00 -1.01 0.00 0.00 57.07 57.68 1b87 s TYR 152 Cb 0.00 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 1b87 s TYR 152 CO 0.00 0.41 -0.23 0.15 -1.11 0.00 0.00 175.55 174.78 1b87 s LYS 153 N -1.59 1.65 -0.28 -0.62 -0.14 -0.39 -4.07 119.74 114.29 1b87 s LYS 153 Ca 0.40 -1.23 -0.29 0.00 -1.36 0.00 0.00 55.97 53.49 1b87 s LYS 153 Cb -0.20 -2.02 -0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1b87 s LYS 153 CO 0.23 0.48 1.28 0.42 -0.76 0.00 0.00 175.35 177.00 1b87 s ILE 154 N -1.06 4.19 -1.53 2.17 1.01 -1.26 -1.51 121.20 123.21 1b87 s ILE 154 Ca 0.15 1.37 0.13 0.00 0.00 0.00 0.00 60.65 62.30 1b87 s ILE 154 Cb -0.10 -4.15 0.12 0.00 0.01 0.00 0.00 42.46 38.34 1b87 s ILE 154 CO 0.07 -0.42 0.93 1.33 0.00 0.00 0.00 174.94 176.86 1b87 n VAL 155 N 6.05 0.09 0.00 2.92 0.24 -0.16 -4.98 118.33 122.49 1b87 n VAL 155 Ca 0.14 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1b87 n VAL 155 Cb 0.46 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 1b87 n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b87 n GLY 156 N 0.70 0.80 2.95 7.63 0.00 -1.10 -5.01 105.19 111.16 1b87 n GLY 156 Ca 0.08 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 1b87 n GLY 156 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b87 s VAL 157 N -2.00 0.06 -0.44 1.61 -7.23 -1.26 -0.35 120.40 110.80 1b87 s VAL 157 Ca 0.00 -0.49 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 1b87 s VAL 157 Cb 0.00 -0.18 0.12 0.00 0.56 0.00 0.00 36.38 36.88 1b87 s VAL 157 CO 0.00 -0.27 0.25 -0.22 -0.31 0.00 0.00 175.10 174.55 1b87 s LEU 158 N -0.80 5.38 0.17 1.32 2.96 0.05 -4.96 118.68 122.80 1b87 s LEU 158 Ca -0.09 -2.03 -0.31 0.00 -0.22 0.00 0.00 54.13 51.48 1b87 s LEU 158 Cb -0.05 -1.88 -0.10 0.00 0.50 0.00 0.00 46.19 44.66 1b87 s LEU 158 CO -0.00 -0.58 1.51 -2.84 -1.32 0.00 0.00 176.35 173.12 1b87 s PRO 159 N 1.15 4.24 -1.68 0.98 0.02 -1.26 -2.20 135.00 136.25 1b87 s PRO 159 Ca 0.08 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1b87 s PRO 159 Cb -0.24 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1b87 s PRO 159 CO -0.03 -0.54 0.00 0.09 -0.33 0.00 0.00 177.00 176.19 1b87 n ASN 160 N 3.63 -5.23 -0.07 2.53 3.02 -1.26 -4.94 115.26 112.95 1b87 n ASN 160 Ca 0.12 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.74 1b87 n ASN 160 Cb 0.39 -4.30 -0.02 0.00 -0.61 0.00 0.00 39.78 35.24 1b87 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b87 h ALA 161 N 0.54 0.33 -0.62 5.41 0.00 -1.56 -2.84 119.26 120.51 1b87 h ALA 161 Ca -0.41 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1b87 h ALA 161 Cb 1.26 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1b87 h ALA 161 CO 0.52 -0.23 0.21 0.09 0.00 0.00 0.00 179.25 179.84 1b87 n ASN 162 N -4.94 4.15 0.00 0.00 3.02 -0.67 -5.03 115.26 111.79 1b87 n ASN 162 Ca -0.02 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1b87 n ASN 162 Cb 0.04 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1b87 n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b87 n GLY 163 N -0.50 1.37 3.67 7.41 0.00 -1.07 -4.85 105.19 111.22 1b87 n GLY 163 Ca 0.39 -2.27 -0.46 0.00 0.00 0.00 0.00 46.02 43.67 1b87 n GLY 163 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1b87 n TRP 164 N -0.98 2.40 -1.91 1.61 7.02 -1.26 -2.30 117.44 122.02 1b87 n TRP 164 Ca 0.00 -0.13 -0.16 0.00 -1.02 0.00 0.00 57.50 56.19 1b87 n TRP 164 Cb 0.00 -2.71 -0.04 0.00 -2.42 0.00 0.00 31.31 26.14 1b87 n TRP 164 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1b87 n ASP 165 N 6.79 -4.90 -3.79 -0.99 8.00 -1.26 -4.79 116.55 115.61 1b87 n ASP 165 Ca 0.21 0.18 -0.28 0.00 0.71 0.00 0.00 54.79 55.62 1b87 n ASP 165 Cb 0.34 -3.93 -0.11 0.00 -0.02 0.00 0.00 41.12 37.39 1b87 n ASP 165 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1b87 n LYS 166 N -2.55 1.75 -1.72 -1.24 5.02 -0.97 -0.86 118.16 117.60 1b87 n LYS 166 Ca -0.18 -4.38 -0.29 0.00 -2.02 0.00 0.00 58.31 51.44 1b87 n LYS 166 Cb 0.59 -2.21 0.13 0.00 -0.02 0.00 0.00 35.03 33.52 1b87 n LYS 166 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b87 s PRO 167 N -1.45 1.32 -0.14 1.97 0.04 -1.26 -1.68 135.00 133.80 1b87 s PRO 167 Ca 0.28 0.11 -0.02 0.00 0.04 0.00 0.00 61.00 61.41 1b87 s PRO 167 Cb -0.01 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1b87 s PRO 167 CO -0.15 -2.04 -0.09 0.34 0.04 0.00 0.00 177.00 175.10 1b87 s ASP 168 N -4.36 4.34 -0.31 6.66 2.15 -0.93 -1.91 116.67 122.31 1b87 s ASP 168 Ca 0.65 -0.25 -0.12 0.00 0.43 0.00 0.00 52.55 53.26 1b87 s ASP 168 Cb -0.12 -1.69 -0.03 0.00 -0.30 0.00 0.00 42.92 40.78 1b87 s ASP 168 CO 0.52 0.16 0.21 -0.63 -0.17 0.00 0.00 175.17 175.25 1b87 s ILE 169 N 0.40 5.26 -0.21 4.11 1.01 -0.63 -0.77 121.20 130.37 1b87 s ILE 169 Ca -0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 1b87 s ILE 169 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1b87 s ILE 169 CO 0.04 0.13 0.54 0.26 0.00 0.00 0.00 174.94 175.92 1b87 s TRP 170 N 1.74 3.36 0.07 3.97 0.51 0.53 -1.38 118.94 127.74 1b87 s TRP 170 Ca 0.07 0.79 0.08 0.00 -2.12 0.00 0.00 56.10 54.91 1b87 s TRP 170 Cb -0.17 -2.70 -0.03 0.00 -0.81 0.00 0.00 33.47 29.76 1b87 s TRP 170 CO 0.10 -0.13 -0.21 -1.64 -0.51 0.00 0.00 176.95 174.56 1b87 s MET 171 N 1.76 1.29 0.20 4.98 -1.94 -0.56 -0.99 119.30 124.04 1b87 s MET 171 Ca 0.25 -1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 53.10 1b87 s MET 171 Cb -0.15 -1.46 -0.01 0.00 2.01 0.00 0.00 34.83 35.21 1b87 s MET 171 CO 0.10 0.36 0.35 0.00 -0.01 0.00 0.00 175.02 175.82 1b87 s ALA 172 N -0.93 -0.00 -0.26 3.03 0.00 -0.57 -0.80 121.76 122.22 1b87 s ALA 172 Ca 0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 1b87 s ALA 172 Cb -0.09 1.01 0.07 0.00 0.00 0.00 0.00 23.12 24.11 1b87 s ALA 172 CO 0.03 -0.73 0.68 0.21 0.00 0.00 0.00 175.76 175.95 1b87 s LYS 173 N -4.01 0.76 -0.39 0.00 2.20 -0.57 -1.27 119.74 116.47 1b87 s LYS 173 Ca 0.21 1.05 -0.19 0.00 -0.36 0.00 0.00 55.97 56.68 1b87 s LYS 173 Cb 0.02 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1b87 s LYS 173 CO 0.05 -0.12 0.54 0.99 -0.36 0.00 0.00 175.35 176.45 1b87 s THR 174 N 0.85 4.97 -0.66 3.43 2.01 -1.26 -1.50 115.64 123.48 1b87 s THR 174 Ca -0.04 0.14 0.25 0.00 0.31 0.00 0.00 61.69 62.36 1b87 s THR 174 Cb -0.05 -4.05 0.30 0.00 0.01 0.00 0.00 72.50 68.71 1b87 s THR 174 CO -0.07 -0.37 1.74 0.16 -0.69 0.00 0.00 174.62 175.39 1b87 h ILE 175 N 5.71 0.00 -2.71 1.82 3.07 -1.64 -3.47 117.51 120.30 1b87 h ILE 175 Ca -0.27 -0.59 -0.61 0.00 1.55 0.00 0.00 64.86 64.95 1b87 h ILE 175 Cb 1.11 1.58 -0.13 0.00 -0.27 0.00 0.00 36.82 39.11 1b87 h ILE 175 CO 0.81 0.00 -0.72 0.27 -1.05 0.00 0.00 178.15 177.46 1b87 s ILE 176 N -3.13 3.07 0.23 0.16 -4.36 -1.26 -5.05 121.20 110.87 1b87 s ILE 176 Ca 0.10 -1.87 -0.32 0.00 -0.26 0.00 0.00 60.65 58.31 1b87 s ILE 176 Cb 0.11 -2.56 -0.12 0.00 1.25 0.00 0.00 42.46 41.13 1b87 s ILE 176 CO 0.61 -0.22 1.69 -2.65 0.24 0.00 0.00 174.94 174.61 1b87 n PRO 177 N -0.27 2.76 -2.10 0.37 -0.02 -1.26 -4.95 135.00 129.54 1b87 n PRO 177 Ca -0.09 0.99 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 1b87 n PRO 177 Cb 0.57 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1b87 n PRO 177 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1b87 s ARG 178 N 0.72 4.33 0.00 -0.52 3.52 -1.26 -4.87 118.95 120.88 1b87 s ARG 178 Ca 0.72 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.54 1b87 s ARG 178 Cb -0.50 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1b87 s ARG 178 CO 0.37 -0.28 0.63 -2.30 -0.81 0.00 0.00 175.30 172.90 1b87 n PRO 179 N 1.62 0.66 -0.09 5.12 -0.02 -1.26 -4.93 135.00 136.09 1b87 n PRO 179 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1b87 n PRO 179 Cb 0.41 -1.19 -0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1b87 n PRO 179 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b87 n ASP 180 N 0.62 -1.93 -0.49 2.55 8.00 -1.26 -5.36 116.55 118.68 1b87 n ASP 180 Ca 0.00 0.10 0.14 0.00 0.71 0.00 0.00 54.79 55.74 1b87 n ASP 180 Cb 0.31 -0.28 0.51 0.00 -0.02 0.00 0.00 41.12 41.65 1b87 n ASP 180 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61