#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i96 n ALA 22 N 0.00 0.21 -2.33 -5.12 0.00 -1.26 -5.17 120.51 106.85 2i96 n ALA 22 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 53.44 52.06 2i96 n ALA 22 Cb 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 19.45 20.32 2i96 n ALA 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2i96 s GLU 23 N -2.70 3.63 0.00 0.00 1.03 -1.26 -5.01 118.70 114.40 2i96 s GLU 23 Ca 0.22 0.20 0.00 0.00 0.03 0.00 0.00 54.97 55.41 2i96 s GLU 23 Cb 0.01 -2.46 0.00 0.00 -0.80 0.00 0.00 34.13 30.87 2i96 s GLU 23 CO 0.15 -0.03 0.00 1.04 -1.33 0.00 0.00 175.26 175.09 2i96 n GLN 24 N -1.62 0.00 0.00 -4.83 6.02 -1.26 -4.83 117.38 110.86 2i96 n GLN 24 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 2i96 n GLN 24 Cb 0.55 -0.57 -0.03 0.00 1.02 0.00 0.00 30.24 31.20 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2i96 n SER 25 N -2.85 0.83 -1.43 1.08 7.64 -1.26 -4.59 113.62 113.03 2i96 n SER 25 Ca 0.00 -0.91 0.08 0.00 1.01 0.00 0.00 58.87 59.05 2i96 n SER 25 Cb 0.46 0.78 0.31 0.00 -1.01 0.00 0.00 64.21 64.75 2i96 n SER 25 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2i96 n ASP 26 N -0.82 4.22 0.05 6.43 9.92 -1.26 -4.66 116.55 130.42 2i96 n ASP 26 Ca 0.03 -2.41 -0.06 0.00 -0.53 0.00 0.00 54.79 51.82 2i96 n ASP 26 Cb 0.19 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.09 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2i96 h GLU 27 N 3.52 -0.26 -2.18 -1.24 5.08 -1.91 -3.35 114.58 114.23 2i96 h GLU 27 Ca 0.00 0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.79 2i96 h GLU 27 Cb 1.32 0.06 -0.42 0.00 0.50 0.00 0.00 28.75 30.21 2i96 h GLU 27 CO 0.22 -0.17 -0.70 0.00 -1.00 0.00 0.00 179.01 177.36 2i96 n ALA 28 N -2.60 3.90 -2.11 3.43 0.00 -1.26 -5.04 120.51 116.83 2i96 n ALA 28 Ca -0.03 -4.52 -0.41 0.00 0.00 0.00 0.00 53.44 48.48 2i96 n ALA 28 Cb 0.14 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2i96 n ALA 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i96 s VAL 29 N -2.78 3.67 0.33 0.00 1.01 -1.26 -4.99 120.40 116.38 2i96 s VAL 29 Ca 0.41 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 2i96 s VAL 29 Cb 0.19 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 2i96 s VAL 29 CO -0.06 0.20 1.47 -0.75 0.00 0.00 0.00 175.10 175.96 2i96 s LYS 30 N -0.03 4.19 0.40 2.72 2.20 -1.26 -4.69 119.74 123.27 2i96 s LYS 30 Ca 0.53 2.46 0.08 0.00 -0.36 0.00 0.00 55.97 58.68 2i96 s LYS 30 Cb -0.32 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2i96 s LYS 30 CO 0.35 -0.47 0.46 0.71 -0.36 0.00 0.00 175.35 176.04 2i96 s TYR 31 N -0.68 2.80 0.22 4.03 2.02 -1.26 -1.31 117.35 123.17 2i96 s TYR 31 Ca 0.55 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 2i96 s TYR 31 Cb -0.45 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 2i96 s TYR 31 CO 0.54 -0.21 0.02 0.71 -1.57 0.00 0.00 175.55 175.05 2i96 s TYR 32 N -2.38 1.44 0.25 2.71 1.51 0.42 -4.81 117.35 116.48 2i96 s TYR 32 Ca 0.50 -1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 55.39 2i96 s TYR 32 Cb -0.07 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 40.87 2i96 s TYR 32 CO 0.30 -0.17 0.67 0.95 -1.11 0.00 0.00 175.55 176.19 2i96 s THR 33 N -3.58 4.72 0.33 -0.71 -4.23 -1.26 0.00 115.64 110.91 2i96 s THR 33 Ca 0.29 0.96 0.12 0.00 -1.18 0.00 0.00 61.69 61.87 2i96 s THR 33 Cb 0.06 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.24 2i96 s THR 33 CO 0.08 0.03 1.75 0.25 -0.54 0.00 0.00 174.62 176.19 2i96 h LEU 34 N 2.88 0.02 -0.52 4.79 5.85 -1.97 -2.68 115.31 123.67 2i96 h LEU 34 Ca -0.48 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.08 2i96 h LEU 34 Cb 1.18 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2i96 h LEU 34 CO 0.66 0.47 -0.74 1.05 -0.34 0.00 0.00 178.44 179.54 2i96 h GLU 35 N 0.01 0.03 0.00 1.25 9.09 -1.98 -3.25 114.58 119.74 2i96 h GLU 35 Ca -0.00 -0.03 -0.20 0.00 0.05 0.00 0.00 59.36 59.18 2i96 h GLU 35 Cb 0.81 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.89 2i96 h GLU 35 CO 0.06 0.76 -0.95 1.05 0.05 0.00 0.00 179.01 179.98 2i96 h GLU 36 N 0.02 0.00 0.00 1.06 4.11 -1.88 -3.06 114.58 114.83 2i96 h GLU 36 Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2i96 h GLU 36 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2i96 h GLU 36 CO 0.10 0.95 -0.51 0.82 0.07 0.00 0.00 179.01 180.44 2i96 h ILE 37 N 0.00 1.13 -0.57 -1.06 2.04 -1.59 -2.72 117.51 114.74 2i96 h ILE 37 Ca -0.01 -1.90 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 2i96 h ILE 37 Cb 1.72 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.88 2i96 h ILE 37 CO 0.12 0.50 -0.05 1.56 0.00 0.00 0.00 178.15 180.28 2i96 h GLN 38 N 0.00 1.04 -0.48 2.37 1.08 -1.57 -2.87 115.11 114.67 2i96 h GLN 38 Ca -0.01 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 2i96 h GLN 38 Cb 1.06 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2i96 h GLN 38 CO 0.07 1.05 0.00 0.36 -0.95 0.00 0.00 178.83 179.36 2i96 n LYS 39 N -4.18 1.88 -0.72 1.46 2.85 -1.05 -2.79 118.16 115.61 2i96 n LYS 39 Ca 0.02 -0.98 0.04 0.00 -1.05 0.00 0.00 58.31 56.34 2i96 n LYS 39 Cb 0.37 -1.41 0.19 0.00 -0.65 0.00 0.00 35.03 33.53 2i96 n LYS 39 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2i96 n HIS 40 N 0.24 0.18 1.01 5.58 8.25 -1.08 -4.74 115.22 124.66 2i96 n HIS 40 Ca 0.09 -1.53 0.12 0.00 -0.26 0.00 0.00 57.72 56.14 2i96 n HIS 40 Cb 0.35 -0.25 0.05 0.00 1.12 0.00 0.00 29.99 31.26 2i96 n HIS 40 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2i96 n ASN 41 N -1.06 2.41 -4.85 0.41 0.23 -1.12 -2.25 115.26 109.04 2i96 n ASN 41 Ca 0.20 -1.71 -0.24 0.00 -0.53 0.00 0.00 54.58 52.31 2i96 n ASN 41 Cb 0.72 0.27 -0.03 0.00 -2.08 0.00 0.00 39.78 38.66 2i96 n ASN 41 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2i96 s HIS 42 N -2.28 2.24 0.09 -2.53 -3.43 -1.07 -4.71 115.29 103.60 2i96 s HIS 42 Ca 0.23 -0.66 -0.11 0.00 -0.80 0.00 0.00 55.06 53.71 2i96 s HIS 42 Cb 0.19 -2.02 0.03 0.00 -1.43 0.00 0.00 32.58 29.36 2i96 s HIS 42 CO 0.46 -0.19 0.71 -1.13 -2.00 0.00 0.00 174.74 172.59 2i96 n SER 43 N -1.56 -0.40 -0.11 7.38 3.41 -1.26 -0.11 113.62 120.97 2i96 n SER 43 Ca 0.00 0.81 0.22 0.00 -0.26 0.00 0.00 58.87 59.65 2i96 n SER 43 Cb 0.63 -0.14 0.66 0.00 -0.26 0.00 0.00 64.21 65.10 2i96 n SER 43 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2i96 h LYS 44 N 0.00 0.10 -1.81 4.33 3.64 -1.96 -3.43 116.57 117.43 2i96 h LYS 44 Ca 0.11 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2i96 h LYS 44 Cb 0.23 -0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 31.80 2i96 h LYS 44 CO -0.45 0.07 0.30 -1.12 -2.27 0.00 0.00 179.45 175.98 2i96 s SER 45 N -5.92 -0.59 -0.15 4.20 0.01 0.85 -5.09 113.70 107.01 2i96 s SER 45 Ca -0.06 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2i96 s SER 45 Cb 0.21 0.98 0.03 0.00 0.21 0.00 0.00 66.02 67.44 2i96 s SER 45 CO 0.76 -0.28 -0.11 0.42 0.41 0.00 0.00 173.24 174.43 2i96 s THR 46 N -0.11 1.40 0.02 1.44 -4.23 -1.23 -2.60 115.64 110.33 2i96 s THR 46 Ca -0.01 -0.61 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 2i96 s THR 46 Cb -0.04 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 2i96 s THR 46 CO 0.00 0.35 -0.25 0.26 -0.54 0.00 0.00 174.62 174.45 2i96 s TRP 47 N 1.54 2.19 0.41 3.99 0.52 -0.95 -3.06 118.94 123.57 2i96 s TRP 47 Ca 0.03 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.78 2i96 s TRP 47 Cb -0.14 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 2i96 s TRP 47 CO -0.09 0.05 0.11 -0.48 0.02 0.00 0.00 176.95 176.55 2i96 s LEU 48 N -0.93 2.04 -0.43 2.99 2.34 -1.20 0.14 118.68 123.63 2i96 s LEU 48 Ca 0.10 -1.63 0.02 0.00 0.06 0.00 0.00 54.13 52.68 2i96 s LEU 48 Cb -0.10 -0.20 0.14 0.00 -0.56 0.00 0.00 46.19 45.48 2i96 s LEU 48 CO 0.01 -0.88 0.26 -0.63 -1.06 0.00 0.00 176.35 174.05 2i96 s ILE 49 N -3.20 1.01 0.18 1.48 1.01 0.14 -0.59 121.20 121.25 2i96 s ILE 49 Ca 0.24 -2.44 -0.09 0.00 0.00 0.00 0.00 60.65 58.35 2i96 s ILE 49 Cb 0.03 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.88 2i96 s ILE 49 CO 0.14 -0.97 1.67 -0.07 0.00 0.00 0.00 174.94 175.71 2i96 h LEU 50 N 6.58 1.03 -5.05 2.97 3.38 -1.82 -2.90 115.31 119.51 2i96 h LEU 50 Ca 0.06 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.52 2i96 h LEU 50 Cb 0.93 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.25 2i96 h LEU 50 CO 0.42 1.04 -0.50 1.41 0.09 0.00 0.00 178.44 180.89 2i96 n HIS 51 N -4.24 -3.05 0.00 1.13 8.25 -1.26 -4.06 115.22 111.99 2i96 n HIS 51 Ca 0.04 -1.97 0.00 0.00 -0.26 0.00 0.00 57.72 55.53 2i96 n HIS 51 Cb 0.29 1.50 0.00 0.00 1.12 0.00 0.00 29.99 32.91 2i96 n HIS 51 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2i96 n HIS 52 N 1.18 0.00 -2.84 4.41 -0.00 -1.26 -4.92 115.22 111.80 2i96 n HIS 52 Ca 0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.40 2i96 n HIS 52 Cb 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.60 2i96 n HIS 52 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2i96 s LYS 53 N 0.00 4.55 0.13 1.57 1.02 -1.26 -3.39 119.74 122.36 2i96 s LYS 53 Ca 0.00 1.24 -0.28 0.00 0.02 0.00 0.00 55.97 56.95 2i96 s LYS 53 Cb 0.00 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 2i96 s LYS 53 CO 0.00 0.09 0.87 0.54 -0.92 0.00 0.00 175.35 175.92 2i96 s VAL 54 N 0.57 4.44 0.09 3.17 0.11 0.10 -3.09 120.40 125.80 2i96 s VAL 54 Ca 0.45 1.88 0.00 0.00 -2.93 0.00 0.00 61.98 61.39 2i96 s VAL 54 Cb -0.21 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.41 2i96 s VAL 54 CO 0.25 0.41 0.02 -1.22 -3.33 0.00 0.00 175.10 171.23 2i96 n TYR 55 N 2.27 -0.27 -3.66 1.54 4.02 0.24 -1.29 117.16 120.02 2i96 n TYR 55 Ca -0.01 -0.42 -0.06 0.00 -0.01 0.00 0.00 57.90 57.39 2i96 n TYR 55 Cb 0.49 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 2i96 n TYR 55 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2i96 s ASP 56 N -1.50 -0.62 -0.12 7.72 2.15 -1.06 -3.26 116.67 119.98 2i96 s ASP 56 Ca 0.02 1.20 -0.10 0.00 0.43 0.00 0.00 52.55 54.10 2i96 s ASP 56 Cb -0.00 1.55 -0.03 0.00 -0.30 0.00 0.00 42.92 44.13 2i96 s ASP 56 CO 0.01 -0.22 -0.19 0.18 -0.17 0.00 0.00 175.17 174.77 2i96 n LEU 57 N 5.13 1.37 0.00 -1.34 7.99 -1.17 -4.87 117.00 124.10 2i96 n LEU 57 Ca -0.13 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 2i96 n LEU 57 Cb 0.51 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 2i96 n LEU 57 CO -0.00 -0.41 0.00 0.41 -1.51 0.00 0.00 177.39 175.88 2i96 n THR 58 N -3.96 0.00 0.09 -5.08 -1.04 -1.25 -1.11 114.28 101.93 2i96 n THR 58 Ca -0.08 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.81 2i96 n THR 58 Cb 0.29 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.68 2i96 n THR 58 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2i96 h LYS 59 N 0.00 0.16 0.00 -2.82 3.64 -1.94 -3.33 116.57 112.28 2i96 h LYS 59 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2i96 h LYS 59 Cb 0.00 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2i96 h LYS 59 CO 0.00 1.11 0.00 0.34 -2.27 0.00 0.00 179.45 178.63 2i96 n PHE 60 N -3.47 0.36 0.24 1.91 7.35 -0.27 -2.30 117.46 121.28 2i96 n PHE 60 Ca -0.05 0.15 0.18 0.00 -0.76 0.00 0.00 57.45 56.97 2i96 n PHE 60 Cb 0.97 -0.74 0.88 0.00 0.35 0.00 0.00 39.48 40.94 2i96 n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2i96 h LEU 61 N 0.00 0.00 -0.32 -2.13 3.38 -1.80 -0.07 115.31 114.37 2i96 h LEU 61 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2i96 h LEU 61 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2i96 h LEU 61 CO 0.00 0.00 -0.62 -0.33 0.09 0.00 0.00 178.44 177.58 2i96 h GLU 62 N 0.00 0.00 0.00 1.13 4.39 -1.76 -3.38 114.58 114.96 2i96 h GLU 62 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2i96 h GLU 62 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2i96 h GLU 62 CO -0.00 0.62 -1.11 0.39 -1.16 0.00 0.00 179.01 177.75 2i96 n GLU 63 N -3.40 0.39 -2.30 2.33 1.02 -0.28 -4.99 120.64 113.41 2i96 n GLU 63 Ca 0.01 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 2i96 n GLU 63 Cb 0.72 -1.05 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2i96 s HIS 64 N -2.14 3.03 0.58 -0.32 2.46 -0.20 -4.91 115.29 113.79 2i96 s HIS 64 Ca -0.01 0.98 0.27 0.00 0.47 0.00 0.00 55.06 56.77 2i96 s HIS 64 Cb 0.01 -3.58 1.66 0.00 -0.13 0.00 0.00 32.58 30.55 2i96 s HIS 64 CO 0.09 -2.04 2.17 -1.35 -2.47 0.00 0.00 174.74 171.14 2i96 h PRO 65 N 7.55 0.00 0.00 2.88 0.11 -1.93 -3.11 132.00 137.50 2i96 h PRO 65 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2i96 h PRO 65 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2i96 h PRO 65 CO 0.88 0.00 -0.03 0.78 -0.21 0.00 0.00 178.00 179.43 2i96 h GLY 66 N 0.00 0.00 0.00 -0.55 0.00 -1.95 -3.48 103.07 97.09 2i96 h GLY 66 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2i96 h GLY 66 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2i96 n GLY 67 N -1.05 0.70 0.00 4.60 0.00 -1.18 -4.65 105.19 103.61 2i96 n GLY 67 Ca -0.03 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2i96 n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i96 n GLU 68 N -0.74 0.00 0.10 1.61 2.13 -1.26 -4.54 120.64 117.94 2i96 n GLU 68 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2i96 n GLU 68 Cb 0.00 -0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 2i96 n GLU 68 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2i96 h GLU 69 N 0.00 0.17 0.00 5.31 4.81 -1.96 0.63 114.58 123.55 2i96 h GLU 69 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2i96 h GLU 69 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2i96 h GLU 69 CO 0.00 0.74 0.00 -0.39 -0.73 0.00 0.00 179.01 178.63 2i96 h VAL 70 N 0.13 0.00 0.00 0.32 -1.51 -1.90 -3.12 116.25 110.17 2i96 h VAL 70 Ca -0.01 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2i96 h VAL 70 Cb 1.12 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2i96 h VAL 70 CO 0.09 0.00 -0.32 0.18 -1.23 0.00 0.00 177.57 176.29 2i96 n LEU 71 N -2.33 0.84 -1.85 4.19 4.77 -0.94 -4.93 117.00 116.74 2i96 n LEU 71 Ca 0.03 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2i96 n LEU 71 Cb 0.31 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 2i96 n LEU 71 CO 0.24 -0.45 -0.14 -1.14 -1.33 0.00 0.00 177.39 174.56 2i96 n ARG 72 N -3.34 -1.69 -0.57 3.23 0.63 0.22 -1.28 116.66 113.85 2i96 n ARG 72 Ca -0.04 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 2i96 n ARG 72 Cb 0.17 -5.12 0.00 0.00 0.45 0.00 0.00 32.46 27.96 2i96 n ARG 72 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2i96 n GLU 73 N -2.29 0.00 -1.75 -0.14 2.13 -1.26 -1.30 120.64 116.02 2i96 n GLU 73 Ca -0.14 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.50 2i96 n GLU 73 Cb 0.51 -4.05 -0.06 0.00 0.27 0.00 0.00 31.44 28.11 2i96 n GLU 73 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2i96 n GLN 74 N -2.00 -1.32 -1.80 5.31 3.00 -0.41 -4.82 117.38 115.34 2i96 n GLN 74 Ca 0.00 1.07 -0.41 0.00 -0.01 0.00 0.00 57.00 57.65 2i96 n GLN 74 Cb 0.00 -5.41 -0.01 0.00 0.00 0.00 0.00 30.24 24.81 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2i96 s ALA 75 N -2.74 3.69 0.00 -1.58 0.00 -0.42 -3.76 121.76 116.95 2i96 s ALA 75 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2i96 s ALA 75 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2i96 s ALA 75 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 2i96 n GLY 76 N 1.68 3.95 0.00 0.00 0.00 0.12 -4.70 105.19 106.23 2i96 n GLY 76 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2i96 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 77 N 0.00 4.53 3.81 -0.02 0.00 -1.25 -3.70 105.19 108.56 2i96 n GLY 77 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 2i96 n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i96 s ASP 78 N 1.59 6.02 0.00 1.61 -4.77 -1.25 0.28 116.67 120.15 2i96 s ASP 78 Ca 0.00 1.77 0.00 0.00 -3.30 0.00 0.00 52.55 51.02 2i96 s ASP 78 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2i96 s ASP 78 CO 0.00 -1.00 0.40 0.00 0.70 0.00 0.00 175.17 175.26 2i96 n ALA 79 N -1.85 1.31 0.25 2.11 0.00 -1.10 -4.78 120.51 116.45 2i96 n ALA 79 Ca 0.08 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.23 2i96 n ALA 79 Cb 0.53 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.50 2i96 n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2i96 n THR 80 N -0.07 1.01 -0.00 0.00 5.66 -1.26 -2.82 114.28 116.80 2i96 n THR 80 Ca 0.00 0.53 -0.11 0.00 -3.05 0.00 0.00 64.05 61.42 2i96 n THR 80 Cb 0.20 -1.50 -0.05 0.00 -1.55 0.00 0.00 70.33 67.43 2i96 n THR 80 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2i96 h GLU 81 N 0.00 -0.43 -0.43 1.09 4.81 -1.91 -1.65 114.58 116.05 2i96 h GLU 81 Ca 0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2i96 h GLU 81 Cb 0.14 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2i96 h GLU 81 CO 0.00 -0.29 0.14 -0.97 -0.73 0.00 0.00 179.01 177.17 2i96 h ASN 82 N -0.45 0.57 0.41 1.04 -1.24 -1.88 -2.96 115.58 111.07 2i96 h ASN 82 Ca 0.09 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 2i96 h ASN 82 Cb 0.59 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2i96 h ASN 82 CO -0.38 0.54 -0.33 0.15 -1.29 0.00 0.00 177.43 176.12 2i96 h PHE 83 N 0.62 0.00 0.00 0.67 3.57 -1.44 -0.42 116.94 119.93 2i96 h PHE 83 Ca 0.15 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 2i96 h PHE 83 Cb 0.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2i96 h PHE 83 CO 0.01 0.33 -0.69 0.93 -2.23 0.00 0.00 178.31 176.65 2i96 h GLU 84 N 0.00 0.00 0.00 1.11 5.08 -1.24 -3.39 114.58 116.14 2i96 h GLU 84 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2i96 h GLU 84 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2i96 h GLU 84 CO 0.04 0.69 -1.40 -3.47 -1.00 0.00 0.00 179.01 173.87 2i96 n ASP 85 N -3.31 1.89 -3.66 1.42 2.03 -0.78 -4.99 116.55 109.14 2i96 n ASP 85 Ca 0.01 0.43 -0.06 0.00 0.52 0.00 0.00 54.79 55.70 2i96 n ASP 85 Cb 0.80 -0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 40.25 2i96 n ASP 85 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2i96 s VAL 86 N -2.45 -0.55 0.00 5.18 -7.23 -0.24 -5.13 120.40 109.98 2i96 s VAL 86 Ca -0.28 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 2i96 s VAL 86 Cb 0.07 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.15 2i96 s VAL 86 CO 0.46 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 2i96 n GLY 87 N 5.01 4.49 0.60 2.32 0.00 -1.26 -4.50 105.19 111.85 2i96 n GLY 87 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2i96 n GLY 87 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2i96 n HIS 88 N -1.70 -0.46 -2.96 1.61 8.25 -1.26 -4.95 115.22 113.74 2i96 n HIS 88 Ca 0.00 0.28 -0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2i96 n HIS 88 Cb 0.00 -2.11 0.05 0.00 1.12 0.00 0.00 29.99 29.04 2i96 n HIS 88 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2i96 n SER 89 N 0.12 1.31 0.19 0.41 3.41 -1.26 -4.97 113.62 112.83 2i96 n SER 89 Ca 0.00 -1.97 0.17 0.00 -0.26 0.00 0.00 58.87 56.81 2i96 n SER 89 Cb 0.00 -0.29 0.80 0.00 -0.26 0.00 0.00 64.21 64.46 2i96 n SER 89 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2i96 h THR 90 N -0.01 0.54 0.06 6.66 1.35 -2.01 -1.82 112.91 117.68 2i96 h THR 90 Ca -0.18 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.70 2i96 h THR 90 Cb 0.81 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 2i96 h THR 90 CO 0.25 0.00 -0.17 0.44 -0.25 0.00 0.00 175.52 175.79 2i96 h ASP 91 N 0.00 -0.47 0.68 5.36 5.19 -2.01 -3.18 116.42 121.99 2i96 h ASP 91 Ca 0.09 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.45 2i96 h ASP 91 Cb 0.49 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2i96 h ASP 91 CO -0.00 -0.24 -0.52 0.00 -3.12 0.00 0.00 179.24 175.36 2i96 h ALA 92 N 0.56 1.00 0.00 3.45 0.00 -1.71 -2.71 119.26 119.85 2i96 h ALA 92 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2i96 h ALA 92 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i96 h ALA 92 CO -0.12 0.66 0.00 0.07 0.00 0.00 0.00 179.25 179.86 2i96 h ARG 93 N 0.00 0.00 0.00 0.00 0.11 -1.53 -2.59 114.38 110.37 2i96 h ARG 93 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2i96 h ARG 93 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2i96 h ARG 93 CO 0.07 0.00 -0.53 -1.91 0.10 0.00 0.00 179.97 177.70 2i96 n GLU 94 N -2.92 3.82 0.04 0.08 2.13 -1.05 -4.33 120.64 118.41 2i96 n GLU 94 Ca -0.01 -0.01 0.04 0.00 0.66 0.00 0.00 57.16 57.84 2i96 n GLU 94 Cb 0.17 -0.86 -0.08 0.00 0.27 0.00 0.00 31.44 30.95 2i96 n GLU 94 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 2i96 n MET 95 N -1.28 0.63 0.00 5.31 1.56 -1.06 -4.15 117.12 118.12 2i96 n MET 95 Ca 0.00 0.12 0.14 0.00 -0.27 0.00 0.00 57.70 57.70 2i96 n MET 95 Cb 0.10 -1.76 0.58 0.00 2.15 0.00 0.00 33.22 34.29 2i96 n MET 95 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2i96 n SER 96 N -2.74 0.46 -0.25 6.12 7.64 -1.00 -4.32 113.62 119.54 2i96 n SER 96 Ca -0.08 -0.48 -0.06 0.00 1.01 0.00 0.00 58.87 59.27 2i96 n SER 96 Cb 0.74 -0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.92 2i96 n SER 96 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2i96 h LYS 97 N 0.51 0.95 -0.24 1.43 1.57 -1.79 -1.97 116.57 117.03 2i96 h LYS 97 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2i96 h LYS 97 Cb 0.39 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2i96 h LYS 97 CO 0.00 0.70 0.00 0.25 -0.57 0.00 0.00 179.45 179.83 2i96 n THR 98 N -4.52 0.31 1.00 -0.16 -2.24 -1.26 -2.78 114.28 104.63 2i96 n THR 98 Ca 0.06 -0.33 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2i96 n THR 98 Cb 0.08 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 2i96 n THR 98 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2i96 n PHE 99 N 0.22 0.00 -2.38 4.78 3.72 -0.74 -4.87 117.46 118.19 2i96 n PHE 99 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 2i96 n PHE 99 Cb 0.23 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2i96 n PHE 99 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2i96 s ILE 100 N -3.00 3.84 -0.13 4.37 1.01 -1.12 -2.56 121.20 123.60 2i96 s ILE 100 Ca 0.08 0.77 0.19 0.00 0.00 0.00 0.00 60.65 61.70 2i96 s ILE 100 Cb 0.16 -4.37 -0.17 0.00 0.01 0.00 0.00 42.46 38.09 2i96 s ILE 100 CO 0.84 -1.03 0.68 2.30 0.00 0.00 0.00 174.94 177.73 2i96 n ILE 101 N 6.94 0.83 -3.55 2.92 -5.35 -0.41 -5.01 119.36 115.74 2i96 n ILE 101 Ca 0.14 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2i96 n ILE 101 Cb 0.49 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 2i96 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i96 n GLY 102 N 1.37 -0.72 0.00 3.28 0.00 -1.15 -4.87 105.19 103.11 2i96 n GLY 102 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2i96 n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i96 n GLU 103 N 0.00 2.07 -3.68 1.61 1.02 -0.42 0.01 120.64 121.25 2i96 n GLU 103 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2i96 n GLU 103 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2i96 n GLU 103 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i96 s LEU 104 N 0.00 4.25 0.62 -4.62 2.01 -1.22 -0.44 118.68 119.29 2i96 s LEU 104 Ca 0.00 0.51 -0.16 0.00 0.01 0.00 0.00 54.13 54.49 2i96 s LEU 104 Cb 0.00 -3.25 -0.14 0.00 0.01 0.00 0.00 46.19 42.81 2i96 s LEU 104 CO 0.00 0.02 -0.34 0.00 1.01 0.00 0.00 176.35 177.04 2i96 n HIS 105 N -0.20 -3.42 -0.29 0.29 1.44 0.10 -4.51 115.22 108.63 2i96 n HIS 105 Ca -0.03 0.26 0.34 0.00 -2.01 0.00 0.00 57.72 56.28 2i96 n HIS 105 Cb 0.52 -1.46 0.73 0.00 0.12 0.00 0.00 29.99 29.91 2i96 n HIS 105 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2i96 h PRO 106 N -0.33 0.00 0.00 -1.40 0.11 -1.98 0.44 132.00 128.84 2i96 h PRO 106 Ca -0.39 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 2i96 h PRO 106 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2i96 h PRO 106 CO 0.32 0.00 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.25 2i96 h ASP 107 N 0.00 0.00 0.79 -2.05 5.19 -1.93 -3.08 116.42 115.34 2i96 h ASP 107 Ca 0.54 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.90 2i96 h ASP 107 Cb 2.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.76 2i96 h ASP 107 CO -0.01 0.22 -1.25 -0.67 -3.12 0.00 0.00 179.24 174.41 2i96 n ASP 108 N -3.07 0.73 0.17 6.45 -0.08 0.12 -3.55 116.55 117.34 2i96 n ASP 108 Ca 0.02 0.29 -0.08 0.00 -1.51 0.00 0.00 54.79 53.51 2i96 n ASP 108 Cb 0.63 0.58 -0.04 0.00 2.34 0.00 0.00 41.12 44.64 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2i96 h ARG 109 N 0.00 -0.48 -0.01 -0.67 2.43 -1.41 -3.28 114.38 110.97 2i96 h ARG 109 Ca -0.05 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2i96 h ARG 109 Cb 1.16 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2i96 h ARG 109 CO 0.01 -0.32 -0.42 -0.35 -1.51 0.00 0.00 179.97 177.38 2i96 n PRO 110 N -4.46 0.55 0.00 0.20 -0.05 -1.26 -4.99 135.00 124.99 2i96 n PRO 110 Ca -0.06 -0.35 0.00 0.00 -0.05 0.00 0.00 63.50 63.03 2i96 n PRO 110 Cb 0.20 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.15 2i96 n PRO 110 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 2i96 n LYS 111 N -0.92 0.00 -0.02 0.54 5.02 -1.23 -4.26 118.16 117.29 2i96 n LYS 111 Ca 0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 2i96 n LYS 111 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.31 2i96 n LYS 111 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2i96 h LEU 112 N 0.00 0.91 -8.08 -0.35 5.85 -1.94 -3.46 115.31 108.24 2i96 h LEU 112 Ca 0.00 -0.58 -0.14 0.00 0.84 0.00 0.00 57.88 58.01 2i96 h LEU 112 Cb 0.00 -0.27 -0.17 0.00 0.37 0.00 0.00 40.66 40.59 2i96 h LEU 112 CO 0.00 1.37 -0.65 0.21 -0.34 0.00 0.00 178.44 179.03 2i96 s ASN 113 N -7.08 0.34 -0.29 1.25 2.47 -1.26 -5.14 114.94 105.24 2i96 s ASN 113 Ca -0.10 -0.74 0.01 0.00 0.42 0.00 0.00 52.86 52.45 2i96 s ASN 113 Cb 0.09 0.18 0.08 0.00 -1.45 0.00 0.00 41.25 40.15 2i96 s ASN 113 CO 0.90 -0.49 0.03 -0.75 -3.72 0.00 0.00 177.10 173.07 2i96 s LYS 114 N -2.87 1.27 -0.74 0.43 2.20 -1.26 -4.50 119.74 114.26 2i96 s LYS 114 Ca -0.03 -1.27 -0.17 0.00 -0.36 0.00 0.00 55.97 54.14 2i96 s LYS 114 Cb 0.00 -2.58 0.16 0.00 -1.51 0.00 0.00 37.83 33.91 2i96 s LYS 114 CO -0.06 -0.83 0.78 -1.25 -0.36 0.00 0.00 175.35 173.64 2i96 s PRO 115 N 1.32 3.36 0.33 4.03 0.04 -1.26 -4.94 135.00 137.90 2i96 s PRO 115 Ca 0.04 -1.91 0.11 0.00 0.04 0.00 0.00 61.00 59.28 2i96 s PRO 115 Cb -0.18 -4.46 0.58 0.00 0.04 0.00 0.00 34.50 30.48 2i96 s PRO 115 CO -0.13 -1.46 1.75 -1.35 0.04 0.00 0.00 177.00 175.85 2i96 h PRO 116 N 8.53 0.04 0.00 0.56 0.11 -1.98 -3.46 132.00 135.79 2i96 h PRO 116 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2i96 h PRO 116 Cb 1.06 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2i96 h PRO 116 CO 0.96 0.47 0.00 -1.91 -0.21 0.00 0.00 178.00 177.31 2i96 n GLU 117 N -4.01 0.00 -3.51 1.05 4.07 -1.26 -4.15 120.64 112.83 2i96 n GLU 117 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2i96 n GLU 117 Cb 0.47 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.81 2i96 n GLU 117 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2i96 s THR 118 N 0.00 -0.81 0.91 6.31 2.01 -1.26 -5.18 115.64 117.63 2i96 s THR 118 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 2i96 s THR 118 Cb 0.00 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.66 2i96 s THR 118 CO 0.00 0.00 1.19 -0.76 -0.69 0.00 0.00 174.62 174.36 2i96 s LEU 119 N 2.74 2.22 0.24 4.42 1.43 -1.26 -5.00 118.68 123.48 2i96 s LEU 119 Ca -0.03 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 2i96 s LEU 119 Cb -0.10 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.05 2i96 s LEU 119 CO -0.18 -2.52 1.26 -0.51 0.23 0.00 0.00 176.35 174.63 2i96 s ILE 120 N -3.49 3.20 0.00 -0.59 1.10 -1.26 -4.90 121.20 115.26 2i96 s ILE 120 Ca 0.66 1.06 0.00 0.00 -0.51 0.00 0.00 60.65 61.87 2i96 s ILE 120 Cb -0.11 -3.68 0.00 0.00 0.15 0.00 0.00 42.46 38.83 2i96 s ILE 120 CO 0.52 0.19 0.29 1.07 -2.11 0.00 0.00 174.94 174.90 2i96 n THR 121 N 2.02 0.07 -4.71 4.00 5.66 -1.26 -5.06 114.28 115.00 2i96 n THR 121 Ca 0.04 -0.23 -0.28 0.00 -3.05 0.00 0.00 64.05 60.53 2i96 n THR 121 Cb 0.43 1.46 -0.14 0.00 -1.55 0.00 0.00 70.33 70.53 2i96 n THR 121 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2i96 s THR 122 N -0.07 1.91 -0.06 1.09 -1.32 -1.26 -5.13 115.64 110.80 2i96 s THR 122 Ca 0.00 -1.34 0.03 0.00 -1.21 0.00 0.00 61.69 59.17 2i96 s THR 122 Cb 0.00 -1.66 0.01 0.00 -1.51 0.00 0.00 72.50 69.34 2i96 s THR 122 CO 0.00 0.25 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.87 2i96 s ILE 123 N -0.84 1.36 0.04 5.08 1.09 -1.26 -5.04 121.20 121.63 2i96 s ILE 123 Ca 0.10 -0.63 -0.28 0.00 -1.10 0.00 0.00 60.65 58.73 2i96 s ILE 123 Cb -0.09 -1.21 -0.17 0.00 -1.06 0.00 0.00 42.46 39.93 2i96 s ILE 123 CO 0.02 0.40 1.41 -2.24 -0.10 0.00 0.00 174.94 174.44 2i96 h ASP 124 N 6.71 -0.57 0.00 3.58 2.03 -2.00 -3.46 116.42 122.70 2i96 h ASP 124 Ca -0.29 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2i96 h ASP 124 Cb 1.19 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 2i96 h ASP 124 CO 0.47 -0.29 0.00 -1.20 -1.03 0.00 0.00 179.24 177.20 2i96 n SER 125 N -5.32 0.00 0.00 4.15 7.64 -1.26 -5.05 113.62 113.79 2i96 n SER 125 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2i96 n SER 125 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2i96 n SER 125 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2i96 n SER 126 N -0.64 0.00 -3.44 6.43 3.41 -1.26 -5.17 113.62 112.95 2i96 n SER 126 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2i96 n SER 126 Cb 0.00 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 2i96 n SER 126 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2i96 s SER 127 N -2.19 -0.56 0.00 4.04 0.01 -1.26 -5.08 113.70 108.66 2i96 s SER 127 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2i96 s SER 127 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2i96 s SER 127 CO 0.00 -0.98 0.28 -1.20 0.41 0.00 0.00 173.24 171.75