#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i96 s ALA 22 N 0.00 -1.59 0.00 -5.12 0.00 -1.26 -5.09 121.76 108.70 2i96 s ALA 22 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2i96 s ALA 22 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2i96 s ALA 22 CO 0.00 -0.61 0.43 -0.85 0.00 0.00 0.00 175.76 174.74 2i96 n GLU 23 N 0.13 0.00 0.00 0.00 0.00 -1.26 -5.05 120.64 114.46 2i96 n GLU 23 Ca -0.18 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.37 2i96 n GLU 23 Cb 0.62 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 30.93 2i96 n GLU 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2i96 n GLN 24 N -1.66 0.00 -3.99 3.44 1.13 -1.26 -4.90 117.38 110.14 2i96 n GLN 24 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 2i96 n GLN 24 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 2i96 n GLN 24 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2i96 s SER 25 N -1.81 -0.04 0.23 1.08 0.01 -1.26 -5.02 113.70 106.88 2i96 s SER 25 Ca 0.00 -0.92 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 2i96 s SER 25 Cb 0.00 0.52 0.29 0.00 0.21 0.00 0.00 66.02 67.03 2i96 s SER 25 CO 0.00 -1.03 1.83 -0.78 0.41 0.00 0.00 173.24 173.67 2i96 h ASP 26 N 2.37 0.71 0.99 2.44 3.58 -2.06 -3.11 116.42 121.35 2i96 h ASP 26 Ca -0.29 0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.00 2i96 h ASP 26 Cb 1.24 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 2i96 h ASP 26 CO 0.41 0.46 -1.07 -0.08 -2.88 0.00 0.00 179.24 176.08 2i96 h GLU 27 N 0.85 0.00 -4.80 0.28 4.81 -2.04 -3.45 114.58 110.22 2i96 h GLU 27 Ca 0.34 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.90 2i96 h GLU 27 Cb 0.17 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.34 2i96 h GLU 27 CO -0.17 0.56 -0.54 0.00 -0.73 0.00 0.00 179.01 178.13 2i96 s ALA 28 N -2.83 3.37 -0.18 2.92 0.00 -1.18 -5.06 121.76 118.79 2i96 s ALA 28 Ca -0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 2i96 s ALA 28 Cb 0.09 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 2i96 s ALA 28 CO 0.79 -0.82 0.16 0.08 0.00 0.00 0.00 175.76 175.97 2i96 s VAL 29 N 1.67 5.40 0.45 0.00 1.01 -1.26 -4.14 120.40 123.53 2i96 s VAL 29 Ca 0.06 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 2i96 s VAL 29 Cb -0.17 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 2i96 s VAL 29 CO 0.08 0.45 1.14 -0.54 0.00 0.00 0.00 175.10 176.24 2i96 s LYS 30 N 0.21 3.83 0.31 2.72 1.02 -1.26 -4.81 119.74 121.75 2i96 s LYS 30 Ca 0.10 1.72 0.07 0.00 0.02 0.00 0.00 55.97 57.88 2i96 s LYS 30 Cb -0.11 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2i96 s LYS 30 CO -0.00 -0.48 0.33 0.71 -0.92 0.00 0.00 175.35 174.99 2i96 s TYR 31 N -1.57 3.06 0.11 3.18 2.02 -1.26 -0.33 117.35 122.56 2i96 s TYR 31 Ca 0.63 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 57.16 2i96 s TYR 31 Cb -0.27 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2i96 s TYR 31 CO 0.33 0.22 -0.12 0.71 -1.57 0.00 0.00 175.55 175.12 2i96 s TYR 32 N -2.20 1.25 0.07 2.71 1.51 0.08 -4.85 117.35 115.91 2i96 s TYR 32 Ca 0.40 -0.61 -0.27 0.00 -1.01 0.00 0.00 57.07 55.58 2i96 s TYR 32 Cb -0.08 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.06 2i96 s TYR 32 CO 0.28 0.08 0.86 0.95 -1.11 0.00 0.00 175.55 176.61 2i96 s THR 33 N -2.33 4.66 0.35 -0.71 -4.23 -1.26 -0.83 115.64 111.29 2i96 s THR 33 Ca 0.08 1.84 0.03 0.00 -1.18 0.00 0.00 61.69 62.46 2i96 s THR 33 Cb -0.04 -4.21 0.27 0.00 1.34 0.00 0.00 72.50 69.86 2i96 s THR 33 CO 0.02 0.33 1.99 0.25 -0.54 0.00 0.00 174.62 176.66 2i96 h LEU 34 N 5.75 0.72 -1.77 4.79 5.85 -1.97 -0.72 115.31 127.95 2i96 h LEU 34 Ca -0.43 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 2i96 h LEU 34 Cb 1.21 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2i96 h LEU 34 CO 0.72 0.50 -0.15 1.05 -0.34 0.00 0.00 178.44 180.21 2i96 h GLU 35 N 0.84 0.00 0.04 1.25 9.09 -1.98 -1.79 114.58 122.02 2i96 h GLU 35 Ca 0.27 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.38 2i96 h GLU 35 Cb 0.03 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.09 2i96 h GLU 35 CO -0.07 0.15 -1.69 1.05 0.05 0.00 0.00 179.01 178.50 2i96 h GLU 36 N 0.00 0.08 -0.02 1.06 4.11 -1.54 -3.32 114.58 114.95 2i96 h GLU 36 Ca -0.00 -0.13 -0.11 0.00 0.07 0.00 0.00 59.36 59.19 2i96 h GLU 36 Cb 0.40 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2i96 h GLU 36 CO 0.02 0.73 -0.51 0.82 0.07 0.00 0.00 179.01 180.14 2i96 h ILE 37 N 0.02 1.36 -0.69 -1.06 2.04 -1.01 -2.41 117.51 115.77 2i96 h ILE 37 Ca -0.29 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 63.82 2i96 h ILE 37 Cb 2.00 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 2i96 h ILE 37 CO 0.09 0.50 0.41 1.56 0.00 0.00 0.00 178.15 180.72 2i96 h GLN 38 N 0.04 0.93 -0.31 2.37 1.08 -1.44 -2.41 115.11 115.37 2i96 h GLN 38 Ca -0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2i96 h GLN 38 Cb 0.92 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2i96 h GLN 38 CO 0.07 0.65 0.00 1.17 -0.95 0.00 0.00 178.83 179.77 2i96 n LYS 39 N -4.40 1.83 -2.17 1.46 4.81 -0.92 -3.81 118.16 114.97 2i96 n LYS 39 Ca 0.07 -1.28 -0.23 0.00 -0.87 0.00 0.00 58.31 56.00 2i96 n LYS 39 Cb 0.07 -1.32 0.02 0.00 0.02 0.00 0.00 35.03 33.81 2i96 n LYS 39 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2i96 n HIS 40 N 0.52 2.80 -0.55 5.64 8.25 -0.91 -4.77 115.22 126.20 2i96 n HIS 40 Ca 0.14 -2.42 0.07 0.00 -0.26 0.00 0.00 57.72 55.25 2i96 n HIS 40 Cb 0.32 -0.28 0.22 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.65 3.55 0.00 0.41 6.94 -1.16 -0.03 115.26 124.32 2i96 n ASN 41 Ca 0.41 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 2i96 n ASN 41 Cb 0.89 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 2i96 n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2i96 n HIS 42 N 0.20 0.00 0.05 -2.53 1.44 -0.26 -4.74 115.22 109.38 2i96 n HIS 42 Ca 0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.76 2i96 n HIS 42 Cb 0.67 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.70 2i96 n HIS 42 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2i96 h SER 43 N 0.00 -1.30 0.00 4.39 4.64 -1.98 -2.66 113.55 116.64 2i96 h SER 43 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2i96 h SER 43 Cb 0.00 0.49 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2i96 h SER 43 CO 0.00 -0.42 0.00 0.29 -0.87 0.00 0.00 176.83 175.83 2i96 n LYS 44 N -4.83 0.56 0.00 4.77 4.76 -1.26 -4.60 118.16 117.56 2i96 n LYS 44 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2i96 n LYS 44 Cb 0.32 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2i96 n LYS 44 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2i96 n SER 45 N -0.70 0.00 -3.87 4.39 2.88 -1.01 -5.09 113.62 110.23 2i96 n SER 45 Ca 0.05 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 2i96 n SER 45 Cb 0.02 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.35 2i96 n SER 45 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2i96 s THR 46 N 0.00 2.23 0.19 2.46 2.01 -1.22 -1.10 115.64 120.21 2i96 s THR 46 Ca 0.00 -3.15 0.05 0.00 0.31 0.00 0.00 61.69 58.90 2i96 s THR 46 Cb 0.00 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 2i96 s THR 46 CO 0.00 -0.85 0.25 0.26 -0.69 0.00 0.00 174.62 173.59 2i96 s TRP 47 N -0.17 3.32 0.10 4.92 0.51 0.96 -1.61 118.94 126.97 2i96 s TRP 47 Ca 0.18 0.01 -0.12 0.00 -2.12 0.00 0.00 56.10 54.05 2i96 s TRP 47 Cb -0.24 -1.55 0.01 0.00 -0.81 0.00 0.00 33.47 30.88 2i96 s TRP 47 CO -0.01 0.50 0.27 -0.48 -0.51 0.00 0.00 176.95 176.72 2i96 s LEU 48 N -3.50 1.03 -0.09 2.99 2.34 -0.73 0.14 118.68 120.86 2i96 s LEU 48 Ca 0.33 -0.51 0.01 0.00 0.06 0.00 0.00 54.13 54.02 2i96 s LEU 48 Cb -0.10 1.34 -0.02 0.00 -0.56 0.00 0.00 46.19 46.85 2i96 s LEU 48 CO 0.27 -0.77 -0.12 -0.63 -1.06 0.00 0.00 176.35 174.03 2i96 s ILE 49 N -3.79 3.17 -0.48 1.48 1.01 0.14 0.24 121.20 122.96 2i96 s ILE 49 Ca 0.04 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2i96 s ILE 49 Cb 0.04 -2.29 0.15 0.00 0.01 0.00 0.00 42.46 40.36 2i96 s ILE 49 CO -0.11 0.56 0.30 -0.76 0.00 0.00 0.00 174.94 174.93 2i96 s LEU 50 N -0.23 2.94 0.00 2.97 2.01 -0.03 -0.73 118.68 125.61 2i96 s LEU 50 Ca 0.01 -2.92 0.00 0.00 0.01 0.00 0.00 54.13 51.23 2i96 s LEU 50 Cb -0.13 -1.08 0.00 0.00 0.01 0.00 0.00 46.19 44.99 2i96 s LEU 50 CO 0.03 -0.22 0.00 1.41 1.01 0.00 0.00 176.35 178.58 2i96 n HIS 51 N 3.15 0.00 0.00 0.29 8.25 -1.26 -3.15 115.22 122.50 2i96 n HIS 51 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2i96 n HIS 51 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2i96 n HIS 51 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i96 n HIS 52 N 0.00 -0.14 -3.06 4.41 8.25 -1.26 -4.91 115.22 118.51 2i96 n HIS 52 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2i96 n HIS 52 Cb 0.00 0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 2i96 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2i96 s LYS 53 N -1.17 4.47 0.03 -0.41 3.01 -1.19 -3.22 119.74 121.26 2i96 s LYS 53 Ca 0.00 1.05 -0.15 0.00 -1.01 0.00 0.00 55.97 55.86 2i96 s LYS 53 Cb 0.00 -3.26 -0.06 0.00 -1.01 0.00 0.00 37.83 33.50 2i96 s LYS 53 CO 0.00 0.59 0.43 0.54 0.51 0.00 0.00 175.35 177.42 2i96 s VAL 54 N -1.12 5.00 0.37 3.17 0.11 0.14 -0.85 120.40 127.22 2i96 s VAL 54 Ca 0.34 0.83 0.06 0.00 -2.93 0.00 0.00 61.98 60.28 2i96 s VAL 54 Cb -0.22 -3.72 -0.07 0.00 -1.53 0.00 0.00 36.38 30.83 2i96 s VAL 54 CO 0.24 0.52 0.03 -0.31 -3.33 0.00 0.00 175.10 172.25 2i96 s TYR 55 N -1.14 2.26 0.04 1.54 1.51 0.14 -0.86 117.35 120.83 2i96 s TYR 55 Ca 0.26 -0.79 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2i96 s TYR 55 Cb -0.17 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 2i96 s TYR 55 CO 0.15 0.26 -0.13 0.34 -1.11 0.00 0.00 175.55 175.05 2i96 s ASP 56 N -3.60 1.57 -0.03 2.29 -1.08 -0.68 -1.77 116.67 113.36 2i96 s ASP 56 Ca 0.35 -0.46 -0.06 0.00 -0.52 0.00 0.00 52.55 51.86 2i96 s ASP 56 Cb 0.09 -0.09 -0.03 0.00 -1.46 0.00 0.00 42.92 41.43 2i96 s ASP 56 CO 0.17 0.01 -0.12 0.18 0.52 0.00 0.00 175.17 175.92 2i96 n LEU 57 N 1.86 1.17 0.00 -1.34 7.99 -0.63 -4.76 117.00 121.28 2i96 n LEU 57 Ca -0.18 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2i96 n LEU 57 Cb 0.55 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2i96 n LEU 57 CO 0.23 -0.32 0.00 0.35 -1.51 0.00 0.00 177.39 176.14 2i96 n THR 58 N -3.70 0.00 0.03 -5.08 -2.24 -1.26 -0.91 114.28 101.12 2i96 n THR 58 Ca -0.10 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 2i96 n THR 58 Cb 0.34 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 2i96 n THR 58 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2i96 h LYS 59 N 0.00 0.65 0.00 -0.78 1.57 -1.98 -3.30 116.57 112.72 2i96 h LYS 59 Ca 0.00 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2i96 h LYS 59 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2i96 h LYS 59 CO 0.00 1.24 0.00 0.35 -0.57 0.00 0.00 179.45 180.47 2i96 h PHE 60 N 0.40 0.00 -0.09 -1.35 3.57 -1.40 -3.01 116.94 115.06 2i96 h PHE 60 Ca -0.09 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.44 2i96 h PHE 60 Cb 1.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.30 2i96 h PHE 60 CO 0.08 0.00 0.14 -0.07 -2.23 0.00 0.00 178.31 176.24 2i96 h LEU 61 N 0.00 0.00 -1.75 0.59 3.38 -1.78 0.33 115.31 116.07 2i96 h LEU 61 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i96 h LEU 61 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2i96 h LEU 61 CO 0.00 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.69 2i96 n GLU 62 N -3.53 1.02 -0.01 1.13 0.28 -1.14 -4.50 120.64 113.89 2i96 n GLU 62 Ca -0.01 -1.33 0.01 0.00 -0.16 0.00 0.00 57.16 55.67 2i96 n GLU 62 Cb 0.24 -1.21 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 2i96 n GLU 62 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2i96 n GLU 63 N 0.55 1.21 -2.38 3.44 1.02 -0.09 -5.00 120.64 119.39 2i96 n GLU 63 Ca 0.07 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2i96 n GLU 63 Cb 0.30 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.32 3.32 0.05 -0.32 2.46 -0.09 -4.92 115.29 113.47 2i96 s HIS 64 Ca -0.02 1.20 -0.07 0.00 0.47 0.00 0.00 55.06 56.63 2i96 s HIS 64 Cb 0.03 -3.47 0.01 0.00 -0.13 0.00 0.00 32.58 29.02 2i96 s HIS 64 CO 0.24 -1.52 0.44 -2.30 -2.47 0.00 0.00 174.74 169.13 2i96 n PRO 65 N 4.28 -0.10 -0.30 2.88 -0.02 -1.26 -4.62 135.00 135.86 2i96 n PRO 65 Ca 0.10 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 2i96 n PRO 65 Cb 0.46 -0.64 0.01 0.00 -0.02 0.00 0.00 33.50 33.31 2i96 n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i96 n GLY 66 N -1.10 -0.59 3.82 -1.23 0.00 -1.26 -5.06 105.19 99.77 2i96 n GLY 66 Ca 0.01 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 2i96 n GLY 66 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i96 s GLY 67 N -2.99 1.61 0.20 -0.02 0.00 -1.26 -4.96 107.32 99.90 2i96 s GLY 67 Ca 0.04 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.54 2i96 s GLY 67 CO 0.03 0.14 1.46 -2.09 0.00 0.00 0.00 173.10 172.65 2i96 h GLU 68 N -1.10 0.03 -0.03 2.90 4.81 -1.93 -3.39 114.58 115.89 2i96 h GLU 68 Ca -0.47 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2i96 h GLU 68 Cb 1.28 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2i96 h GLU 68 CO 0.61 0.80 -0.13 1.05 -0.73 0.00 0.00 179.01 180.61 2i96 h GLU 69 N 0.02 0.13 -0.01 1.92 4.11 -1.95 -3.31 114.58 115.50 2i96 h GLU 69 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2i96 h GLU 69 Cb 1.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2i96 h GLU 69 CO 0.11 0.77 -0.22 1.33 0.07 0.00 0.00 179.01 181.07 2i96 n VAL 70 N -4.63 0.00 0.11 -1.06 0.24 -1.26 -2.65 118.33 109.07 2i96 n VAL 70 Ca -0.09 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.03 2i96 n VAL 70 Cb 0.40 0.41 0.06 0.00 -1.47 0.00 0.00 33.84 33.24 2i96 n VAL 70 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2i96 h LEU 71 N 1.39 0.04 -0.85 1.34 3.38 -1.75 -3.35 115.31 115.50 2i96 h LEU 71 Ca 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2i96 h LEU 71 Cb 0.51 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2i96 h LEU 71 CO 0.00 0.79 0.54 -0.09 0.09 0.00 0.00 178.44 179.76 2i96 h ARG 72 N 0.02 0.98 0.00 1.13 2.43 -1.61 -2.12 114.38 115.21 2i96 h ARG 72 Ca -0.01 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 2i96 h ARG 72 Cb 1.35 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2i96 h ARG 72 CO 0.10 0.65 -0.32 1.49 -1.51 0.00 0.00 179.97 180.39 2i96 h GLU 73 N 1.01 0.00 -0.01 0.20 4.57 -1.74 -2.51 114.58 116.11 2i96 h GLU 73 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2i96 h GLU 73 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2i96 h GLU 73 CO -0.14 0.32 -0.26 1.04 -1.18 0.00 0.00 179.01 178.79 2i96 n GLN 74 N -3.96 0.68 -3.42 1.92 1.13 -0.81 -4.85 117.38 108.07 2i96 n GLN 74 Ca -0.02 -0.37 -0.34 0.00 -1.94 0.00 0.00 57.00 54.33 2i96 n GLN 74 Cb 0.38 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.18 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2i96 s ALA 75 N -2.58 3.60 0.00 -1.58 0.00 -0.95 -3.59 121.76 116.67 2i96 s ALA 75 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2i96 s ALA 75 Cb 0.19 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2i96 s ALA 75 CO 0.54 0.49 0.00 0.41 0.00 0.00 0.00 175.76 177.20 2i96 n GLY 76 N 0.56 2.23 0.00 0.00 0.00 0.12 -4.74 105.19 103.37 2i96 n GLY 76 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 5.00 3.66 -0.02 0.00 -1.26 -3.94 105.19 108.64 2i96 n GLY 77 Ca 0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2i96 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i96 s ASP 78 N 1.15 6.64 0.00 1.61 1.11 -1.24 0.23 116.67 126.16 2i96 s ASP 78 Ca 0.00 2.31 0.22 0.00 0.18 0.00 0.00 52.55 55.27 2i96 s ASP 78 Cb 0.00 -2.54 0.52 0.00 1.07 0.00 0.00 42.92 41.98 2i96 s ASP 78 CO 0.00 -0.94 1.46 0.00 1.18 0.00 0.00 175.17 176.87 2i96 n ALA 79 N 7.05 2.41 0.81 5.23 0.00 0.09 -4.49 120.51 131.62 2i96 n ALA 79 Ca 0.17 -1.06 0.08 0.00 0.00 0.00 0.00 53.44 52.64 2i96 n ALA 79 Cb 0.42 -0.92 0.43 0.00 0.00 0.00 0.00 19.45 19.39 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 1.44 0.50 -0.35 0.00 5.66 -1.26 -2.32 114.28 117.95 2i96 n THR 80 Ca 0.21 0.12 0.11 0.00 -3.05 0.00 0.00 64.05 61.44 2i96 n THR 80 Cb 0.58 -0.84 0.29 0.00 -1.55 0.00 0.00 70.33 68.82 2i96 n THR 80 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2i96 h GLU 81 N 0.00 0.81 0.00 1.09 5.08 -1.95 -0.64 114.58 118.97 2i96 h GLU 81 Ca 0.00 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 2i96 h GLU 81 Cb 0.17 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2i96 h GLU 81 CO 0.00 0.53 -0.92 -0.97 -1.00 0.00 0.00 179.01 176.65 2i96 h ASN 82 N 0.83 0.00 0.74 1.42 -1.24 -1.85 -3.35 115.58 112.13 2i96 h ASN 82 Ca 0.55 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 57.34 2i96 h ASN 82 Cb 0.77 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 2i96 h ASN 82 CO -0.35 0.71 -1.03 0.15 -1.29 0.00 0.00 177.43 175.62 2i96 h PHE 83 N 0.00 0.26 0.00 0.67 3.57 -1.29 0.51 116.94 120.66 2i96 h PHE 83 Ca -0.06 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 2i96 h PHE 83 Cb 1.59 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 2i96 h PHE 83 CO 0.00 1.08 -0.11 0.93 -2.23 0.00 0.00 178.31 177.98 2i96 h GLU 84 N 0.06 0.00 0.00 1.11 3.07 -1.36 -3.34 114.58 114.12 2i96 h GLU 84 Ca -0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 2i96 h GLU 84 Cb 1.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.64 2i96 h GLU 84 CO 0.15 0.11 -1.13 -3.47 -1.40 0.00 0.00 179.01 173.28 2i96 n ASP 85 N -3.38 1.93 -4.44 1.42 2.03 -1.08 -4.79 116.55 108.23 2i96 n ASP 85 Ca -0.01 0.33 -0.44 0.00 0.52 0.00 0.00 54.79 55.19 2i96 n ASP 85 Cb 0.29 -0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 2i96 n ASP 85 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2i96 s VAL 86 N -2.86 4.84 -0.38 5.18 1.01 0.18 -4.98 120.40 123.38 2i96 s VAL 86 Ca -0.29 -1.76 -0.28 0.00 0.00 0.00 0.00 61.98 59.64 2i96 s VAL 86 Cb 0.05 -4.77 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 2i96 s VAL 86 CO 0.43 -1.48 1.64 -0.83 0.00 0.00 0.00 175.10 174.86 2i96 s GLY 87 N 3.43 0.89 0.32 4.51 0.00 -1.25 -4.49 107.32 110.72 2i96 s GLY 87 Ca 0.32 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 2i96 s GLY 87 CO -0.09 3.07 1.35 1.42 0.00 0.00 0.00 173.10 178.86 2i96 n HIS 88 N 9.80 2.36 -1.38 1.90 8.25 -1.26 -4.99 115.22 129.91 2i96 n HIS 88 Ca 0.20 0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 57.87 2i96 n HIS 88 Cb 0.47 -2.45 0.17 0.00 1.12 0.00 0.00 29.99 29.30 2i96 n HIS 88 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2i96 s SER 89 N -0.12 2.85 -0.81 0.41 1.04 -1.26 -4.84 113.70 110.97 2i96 s SER 89 Ca 0.58 0.95 -0.25 0.00 0.48 0.00 0.00 55.95 57.71 2i96 s SER 89 Cb -0.57 -1.49 -0.00 0.00 0.10 0.00 0.00 66.02 64.06 2i96 s SER 89 CO 0.59 -2.96 1.69 -0.89 0.98 0.00 0.00 173.24 172.64 2i96 s THR 90 N -3.18 3.57 0.00 2.02 2.01 -1.26 -3.32 115.64 115.48 2i96 s THR 90 Ca 0.66 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2i96 s THR 90 Cb -0.15 -4.39 0.00 0.00 0.01 0.00 0.00 72.50 67.97 2i96 s THR 90 CO 0.55 -1.32 0.00 -0.67 -0.69 0.00 0.00 174.62 172.49 2i96 n ASP 91 N 11.66 0.00 0.24 3.53 -0.08 -1.26 -4.89 116.55 125.75 2i96 n ASP 91 Ca 0.26 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.64 2i96 n ASP 91 Cb 0.50 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.57 2i96 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2i96 h ALA 92 N 0.00 1.28 0.00 -1.67 0.00 -1.92 0.82 119.26 117.77 2i96 h ALA 92 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2i96 h ALA 92 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2i96 h ALA 92 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2i96 h ARG 93 N 0.00 0.00 0.00 0.00 3.08 -1.88 -2.41 114.38 113.16 2i96 h ARG 93 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2i96 h ARG 93 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2i96 h ARG 93 CO 0.02 0.00 -1.46 0.39 -1.07 0.00 0.00 179.97 177.86 2i96 n GLU 94 N -2.61 0.19 -0.02 0.04 1.02 -0.55 -4.67 120.64 114.05 2i96 n GLU 94 Ca -0.01 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 2i96 n GLU 94 Cb 0.11 -1.05 0.34 0.00 -0.02 0.00 0.00 31.44 30.81 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2i96 h MET 95 N -0.09 0.58 0.00 3.49 4.05 -0.85 -2.82 114.93 119.29 2i96 h MET 95 Ca -0.19 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2i96 h MET 95 Cb 1.25 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2i96 h MET 95 CO -0.06 0.50 0.00 0.45 0.23 0.00 0.00 176.91 178.03 2i96 n SER 96 N -4.36 0.24 0.30 1.39 2.88 -0.91 -3.32 113.62 109.84 2i96 n SER 96 Ca 0.03 0.54 0.17 0.00 -1.33 0.00 0.00 58.87 58.28 2i96 n SER 96 Cb 0.16 -0.60 0.96 0.00 -0.75 0.00 0.00 64.21 63.98 2i96 n SER 96 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2i96 h LYS 97 N 0.00 0.00 -0.01 -1.46 1.57 -1.77 0.12 116.57 115.03 2i96 h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i96 h LYS 97 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2i96 h LYS 97 CO 0.00 0.03 -0.38 0.25 -0.57 0.00 0.00 179.45 178.77 2i96 n THR 98 N -3.52 0.00 0.15 -0.16 -2.24 -1.21 -3.37 114.28 103.92 2i96 n THR 98 Ca -0.03 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 2i96 n THR 98 Cb 0.12 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.82 0.29 -2.06 4.78 3.72 0.34 -4.85 117.46 118.86 2i96 n PHE 99 Ca 0.10 0.08 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 2i96 n PHE 99 Cb 0.36 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 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 -3.41 3.47 -1.28 4.37 1.01 -0.68 -1.69 121.20 122.99 2i96 s ILE 100 Ca -0.04 0.42 0.17 0.00 0.00 0.00 0.00 60.65 61.20 2i96 s ILE 100 Cb 0.13 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 2i96 s ILE 100 CO 0.86 -0.66 0.83 2.30 0.00 0.00 0.00 174.94 178.27 2i96 n ILE 101 N 7.29 0.00 -3.89 2.92 -5.35 -0.04 -5.00 119.36 115.29 2i96 n ILE 101 Ca 0.21 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2i96 n ILE 101 Cb 0.49 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 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 1.28 -1.24 2.28 3.28 0.00 -1.17 -4.79 105.19 104.83 2i96 n GLY 102 Ca 0.06 -1.24 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 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 1.06 -2.33 1.61 1.02 0.56 0.26 120.64 122.81 2i96 n GLU 103 Ca 0.00 -2.13 -0.30 0.00 -0.02 0.00 0.00 57.16 54.71 2i96 n GLU 103 Cb 0.00 0.32 -0.01 0.00 -0.02 0.00 0.00 31.44 31.73 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 3.51 0.74 -4.62 1.43 -1.20 -0.74 118.68 117.80 2i96 s LEU 104 Ca 0.14 1.27 -0.13 0.00 -1.03 0.00 0.00 54.13 54.39 2i96 s LEU 104 Cb -0.01 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.00 2i96 s LEU 104 CO 0.09 -0.66 1.13 -1.38 0.23 0.00 0.00 176.35 175.76 2i96 s HIS 105 N -2.83 2.35 0.00 0.29 -3.43 -0.01 -4.21 115.29 107.45 2i96 s HIS 105 Ca 0.53 1.60 0.00 0.00 -0.80 0.00 0.00 55.06 56.39 2i96 s HIS 105 Cb -0.10 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 27.83 2i96 s HIS 105 CO 0.44 -2.06 0.00 -2.30 -2.00 0.00 0.00 174.74 168.82 2i96 n PRO 106 N -3.07 0.00 0.07 -0.38 -0.02 -1.26 -1.36 135.00 128.98 2i96 n PRO 106 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 2i96 n PRO 106 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.90 2i96 n PRO 106 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2i96 h ASP 107 N 0.00 0.00 1.16 2.55 3.58 -2.01 -2.81 116.42 118.89 2i96 h ASP 107 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2i96 h ASP 107 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2i96 h ASP 107 CO 0.00 0.92 -0.75 0.44 -2.88 0.00 0.00 179.24 176.97 2i96 h ASP 108 N 0.00 0.00 -0.01 2.28 5.19 -1.55 -3.38 116.42 118.95 2i96 h ASP 108 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2i96 h ASP 108 Cb 1.73 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.24 2i96 h ASP 108 CO 0.12 0.75 0.00 -0.09 -3.12 0.00 0.00 179.24 176.90 2i96 h ARG 109 N 0.00 0.01 -0.30 3.56 2.43 -1.01 -3.05 114.38 116.02 2i96 h ARG 109 Ca -0.01 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2i96 h ARG 109 Cb 1.53 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 2i96 h ARG 109 CO 0.10 0.13 -0.06 -1.35 -1.51 0.00 0.00 179.97 177.27 2i96 h PRO 110 N -0.11 0.57 0.00 0.20 0.11 -1.75 -3.45 132.00 127.57 2i96 h PRO 110 Ca 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2i96 h PRO 110 Cb 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2i96 h PRO 110 CO -0.00 0.76 0.00 1.63 -0.21 0.00 0.00 178.00 180.18 2i96 n LYS 111 N -4.49 0.00 -3.02 1.05 5.02 -1.16 -4.77 118.16 110.79 2i96 n LYS 111 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 2i96 n LYS 111 Cb 0.31 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.26 2i96 n LYS 111 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2i96 s LEU 112 N 0.00 4.13 -1.08 -0.35 2.96 -1.26 -4.49 118.68 118.59 2i96 s LEU 112 Ca 0.00 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.22 2i96 s LEU 112 Cb 0.00 -4.06 -0.02 0.00 0.50 0.00 0.00 46.19 42.61 2i96 s LEU 112 CO 0.00 -0.17 0.82 -3.20 -1.32 0.00 0.00 176.35 172.48 2i96 n ASN 113 N -0.08 -5.84 -4.06 3.68 5.15 -1.26 -4.95 115.26 107.91 2i96 n ASN 113 Ca 0.03 -0.87 -0.34 0.00 -0.60 0.00 0.00 54.58 52.79 2i96 n ASN 113 Cb 0.53 -3.92 -0.11 0.00 -0.53 0.00 0.00 39.78 35.74 2i96 n ASN 113 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2i96 s LYS 114 N -5.33 2.30 -0.04 1.20 2.20 -1.26 -5.08 119.74 113.73 2i96 s LYS 114 Ca 0.43 -2.45 -0.27 0.00 -0.36 0.00 0.00 55.97 53.31 2i96 s LYS 114 Cb -0.12 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2i96 s LYS 114 CO 0.82 -1.13 0.87 -1.25 -0.36 0.00 0.00 175.35 174.30 2i96 s PRO 115 N 0.05 4.49 -0.06 4.03 0.05 -1.26 -4.98 135.00 137.32 2i96 s PRO 115 Ca 0.16 1.21 -0.26 0.00 0.05 0.00 0.00 61.00 62.15 2i96 s PRO 115 Cb -0.22 -3.47 -0.21 0.00 0.05 0.00 0.00 34.50 30.65 2i96 s PRO 115 CO -0.03 -0.04 1.03 -1.35 0.05 0.00 0.00 177.00 176.66 2i96 h PRO 116 N 6.83 -0.04 0.00 0.56 0.11 -2.05 -3.49 132.00 133.92 2i96 h PRO 116 Ca -0.40 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.77 2i96 h PRO 116 Cb 1.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2i96 h PRO 116 CO 0.76 0.59 0.24 -1.91 -0.21 0.00 0.00 178.00 177.47 2i96 n GLU 117 N -4.79 0.32 0.24 1.05 2.13 -1.26 -5.08 120.64 113.26 2i96 n GLU 117 Ca -0.09 -0.71 -0.10 0.00 0.66 0.00 0.00 57.16 56.93 2i96 n GLU 117 Cb 0.32 0.94 -0.05 0.00 0.27 0.00 0.00 31.44 32.92 2i96 n GLU 117 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2i96 h THR 118 N 1.43 0.00 0.00 6.31 2.02 -2.03 -3.49 112.91 117.16 2i96 h THR 118 Ca -0.12 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2i96 h THR 118 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2i96 h THR 118 CO 0.17 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 175.95 2i96 n LEU 119 N -4.57 0.00 -4.21 2.58 0.00 -1.26 -5.09 117.00 104.45 2i96 n LEU 119 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.57 2i96 n LEU 119 Cb 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.55 2i96 n LEU 119 CO 0.20 0.00 -0.34 -0.63 0.00 0.00 0.00 177.39 176.62 2i96 s ILE 120 N 0.00 3.20 0.65 1.96 1.01 -1.26 -5.10 121.20 121.66 2i96 s ILE 120 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.22 2i96 s ILE 120 Cb 0.00 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2i96 s ILE 120 CO 0.00 -0.08 1.15 0.41 0.00 0.00 0.00 174.94 176.43 2i96 n THR 121 N 4.68 4.27 -1.45 2.92 -1.04 -1.26 -4.80 114.28 117.60 2i96 n THR 121 Ca -0.13 -0.47 -0.48 0.00 -2.04 0.00 0.00 64.05 60.92 2i96 n THR 121 Cb 0.44 -1.33 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 2i96 n THR 121 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2i96 n THR 122 N -2.01 0.10 0.20 12.58 -2.24 -1.26 -4.80 114.28 116.85 2i96 n THR 122 Ca 0.15 -0.27 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 2i96 n THR 122 Cb 0.48 -1.51 0.40 0.00 -2.10 0.00 0.00 70.33 67.59 2i96 n THR 122 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2i96 h ILE 123 N 7.31 1.21 -2.10 2.28 2.10 -2.05 -3.43 117.51 122.83 2i96 h ILE 123 Ca -0.21 -1.13 -0.47 0.00 1.08 0.00 0.00 64.86 64.13 2i96 h ILE 123 Cb 1.32 1.61 -0.02 0.00 -1.09 0.00 0.00 36.82 38.65 2i96 h ILE 123 CO 1.10 0.32 -0.43 1.51 -1.08 0.00 0.00 178.15 179.57 2i96 s ASP 124 N -6.92 6.05 0.00 2.19 -4.77 -1.26 -5.00 116.67 106.95 2i96 s ASP 124 Ca -0.03 -0.07 0.26 0.00 -3.30 0.00 0.00 52.55 49.41 2i96 s ASP 124 Cb 0.15 -1.61 0.56 0.00 -1.09 0.00 0.00 42.92 40.93 2i96 s ASP 124 CO 0.72 -0.15 1.45 -1.20 0.70 0.00 0.00 175.17 176.69 2i96 n SER 125 N -1.41 1.65 0.00 2.11 7.64 -1.26 -5.06 113.62 117.30 2i96 n SER 125 Ca -0.07 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2i96 n SER 125 Cb 0.58 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2i96 n SER 125 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i96 n SER 126 N -0.03 -0.31 -0.11 6.43 7.64 -1.26 -4.37 113.62 121.61 2i96 n SER 126 Ca 0.13 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.83 2i96 n SER 126 Cb 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 2i96 n SER 126 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i96 n SER 127 N -3.08 1.91 0.00 6.43 7.64 -1.26 -5.27 113.62 119.99 2i96 n SER 127 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2i96 n SER 127 Cb 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 2i96 n SER 127 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49