#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 -2.19 0.00 -5.12 0.00 -1.26 -5.13 121.76 108.05 2i96 s ALA 22 Ca 0.00 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2i96 s ALA 22 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2i96 s ALA 22 CO 0.00 -0.33 0.00 -0.85 0.00 0.00 0.00 175.76 174.58 2i96 n GLU 23 N 3.56 0.00 0.00 0.00 -0.00 -1.26 -5.11 120.64 117.82 2i96 n GLU 23 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2i96 n GLU 23 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.01 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 0.00 0.00 0.00 3.44 1.13 -1.26 -4.95 117.38 115.74 2i96 n GLN 24 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2i96 n GLN 24 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2i96 n SER 25 N -1.81 0.00 -3.55 1.08 7.64 -1.26 -5.12 113.62 110.61 2i96 n SER 25 Ca 0.00 -1.00 -0.16 0.00 1.01 0.00 0.00 58.87 58.72 2i96 n SER 25 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2i96 n SER 25 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2i96 s ASP 26 N 0.00 -0.60 0.00 6.43 -4.77 -1.26 -5.11 116.67 111.35 2i96 s ASP 26 Ca 0.00 0.75 0.00 0.00 -3.30 0.00 0.00 52.55 50.00 2i96 s ASP 26 Cb 0.00 0.62 0.00 0.00 -1.09 0.00 0.00 42.92 42.45 2i96 s ASP 26 CO 0.00 -0.49 0.95 1.21 0.70 0.00 0.00 175.17 177.54 2i96 n GLU 27 N 1.16 0.00 -2.91 2.11 4.07 -1.26 -4.34 120.64 119.47 2i96 n GLU 27 Ca -0.16 0.51 -0.44 0.00 -0.06 0.00 0.00 57.16 57.01 2i96 n GLU 27 Cb 0.57 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.47 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i96 s ALA 28 N -3.02 3.28 0.67 4.31 0.00 -1.26 -4.88 121.76 120.86 2i96 s ALA 28 Ca 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 51.96 49.40 2i96 s ALA 28 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 23.12 19.18 2i96 s ALA 28 CO 0.00 -2.87 1.13 0.08 0.00 0.00 0.00 175.76 174.10 2i96 s VAL 29 N 3.17 3.05 0.08 0.00 1.01 -1.26 -4.94 120.40 121.51 2i96 s VAL 29 Ca 0.28 0.49 -0.34 0.00 0.00 0.00 0.00 61.98 62.41 2i96 s VAL 29 Cb -0.10 -3.01 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 2i96 s VAL 29 CO -0.02 -0.30 1.65 0.29 0.00 0.00 0.00 175.10 176.73 2i96 n LYS 30 N -2.49 2.11 -4.04 2.72 5.02 -1.26 -4.76 118.16 115.46 2i96 n LYS 30 Ca 0.11 0.76 -0.24 0.00 -2.02 0.00 0.00 58.31 56.92 2i96 n LYS 30 Cb 0.52 -2.55 -0.04 0.00 -0.02 0.00 0.00 35.03 32.94 2i96 n LYS 30 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2i96 s TYR 31 N 1.80 3.26 0.00 2.13 2.02 -1.26 -0.94 117.35 124.36 2i96 s TYR 31 Ca 0.83 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 2i96 s TYR 31 Cb -0.70 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 2i96 s TYR 31 CO 0.42 0.51 0.00 0.66 -1.57 0.00 0.00 175.55 175.57 2i96 n TYR 32 N -0.75 0.00 -4.37 2.71 4.01 -0.03 -4.89 117.16 113.85 2i96 n TYR 32 Ca -0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.41 2i96 n TYR 32 Cb 0.56 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.50 2i96 n TYR 32 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2i96 s THR 33 N -0.75 2.46 0.23 -0.72 -4.23 -1.26 0.39 115.64 111.76 2i96 s THR 33 Ca 0.00 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 2i96 s THR 33 Cb 0.00 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 71.27 2i96 s THR 33 CO 0.00 -0.15 1.63 0.25 -0.54 0.00 0.00 174.62 175.81 2i96 h LEU 34 N 1.78 -0.47 -0.77 4.79 5.85 -1.98 -2.24 115.31 122.28 2i96 h LEU 34 Ca -0.43 0.19 0.17 0.00 0.84 0.00 0.00 57.88 58.65 2i96 h LEU 34 Cb 1.25 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 42.54 2i96 h LEU 34 CO 0.69 -0.19 0.21 -0.33 -0.34 0.00 0.00 178.44 178.48 2i96 h GLU 35 N 0.05 0.28 -0.08 1.25 5.08 -1.98 -0.36 114.58 118.83 2i96 h GLU 35 Ca 0.36 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.46 2i96 h GLU 35 Cb 0.58 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2i96 h GLU 35 CO -0.66 0.19 -0.88 0.93 -1.00 0.00 0.00 179.01 177.59 2i96 h GLU 36 N 0.29 0.68 0.00 2.33 4.39 -1.80 -0.39 114.58 120.08 2i96 h GLU 36 Ca 0.44 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2i96 h GLU 36 Cb 0.77 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2i96 h GLU 36 CO -0.52 1.23 -0.10 0.82 -1.16 0.00 0.00 179.01 179.29 2i96 h ILE 37 N 0.43 0.18 0.00 3.13 2.04 -1.09 -0.91 117.51 121.29 2i96 h ILE 37 Ca -0.08 -1.10 -0.16 0.00 1.00 0.00 0.00 64.86 64.53 2i96 h ILE 37 Cb 1.51 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.51 2i96 h ILE 37 CO 0.17 0.10 -0.75 1.56 0.00 0.00 0.00 178.15 179.23 2i96 h GLN 38 N 0.00 0.00 -0.00 2.37 1.08 -1.00 -3.30 115.11 114.26 2i96 h GLN 38 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i96 h GLN 38 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2i96 h GLN 38 CO 0.01 0.75 -0.16 1.17 -0.95 0.00 0.00 178.83 179.65 2i96 n LYS 39 N -3.49 0.44 -2.13 1.46 4.81 -0.16 -3.59 118.16 115.51 2i96 n LYS 39 Ca -0.00 -0.15 -0.08 0.00 -0.87 0.00 0.00 58.31 57.21 2i96 n LYS 39 Cb 0.77 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 34.38 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 -1.15 1.53 -0.87 5.64 8.25 -0.61 -4.84 115.22 123.18 2i96 n HIS 40 Ca 0.11 -1.91 -0.08 0.00 -0.26 0.00 0.00 57.72 55.59 2i96 n HIS 40 Cb 0.30 -0.26 0.27 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.57 4.50 -0.69 0.41 6.94 -1.24 -0.17 115.26 124.45 2i96 n ASN 41 Ca 0.22 -3.15 0.00 0.00 -0.02 0.00 0.00 54.58 51.63 2i96 n ASN 41 Cb 0.89 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 -0.21 -0.27 0.25 -2.53 1.44 -1.06 -4.68 115.22 108.16 2i96 n HIS 42 Ca 0.40 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.99 2i96 n HIS 42 Cb 1.34 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 31.39 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 -0.79 -1.11 4.39 4.64 -2.00 -3.13 113.55 115.55 2i96 h SER 43 Ca 0.00 0.05 0.32 0.00 -0.47 0.00 0.00 61.79 61.69 2i96 h SER 43 Cb 0.00 0.24 -0.11 0.00 -0.31 0.00 0.00 62.40 62.22 2i96 h SER 43 CO 0.00 -0.46 0.70 0.11 -0.87 0.00 0.00 176.83 176.31 2i96 h LYS 44 N -0.73 0.30 -2.43 4.77 6.56 -1.98 -3.38 116.57 119.68 2i96 h LYS 44 Ca -0.06 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.44 2i96 h LYS 44 Cb 0.59 -0.07 -0.25 0.00 -0.57 0.00 0.00 32.23 31.94 2i96 h LYS 44 CO 0.05 0.20 -0.18 0.45 -2.06 0.00 0.00 179.45 177.90 2i96 s SER 45 N -4.99 -0.66 -0.23 0.86 0.15 -1.19 -5.03 113.70 102.61 2i96 s SER 45 Ca -0.09 1.10 0.01 0.00 0.70 0.00 0.00 55.95 57.67 2i96 s SER 45 Cb 0.27 0.99 0.03 0.00 -1.71 0.00 0.00 66.02 65.60 2i96 s SER 45 CO 0.80 -0.21 -0.13 -0.89 1.20 0.00 0.00 173.24 174.02 2i96 s THR 46 N 1.41 2.38 0.27 6.45 2.01 -1.19 -2.56 115.64 124.40 2i96 s THR 46 Ca -0.09 -1.15 0.11 0.00 0.31 0.00 0.00 61.69 60.87 2i96 s THR 46 Cb -0.07 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 2i96 s THR 46 CO -0.14 0.27 -0.15 0.26 -0.69 0.00 0.00 174.62 174.16 2i96 s TRP 47 N 1.25 2.40 0.19 4.92 0.52 0.77 -1.33 118.94 127.65 2i96 s TRP 47 Ca -0.00 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2i96 s TRP 47 Cb -0.16 -1.06 -0.00 0.00 -1.15 0.00 0.00 33.47 31.09 2i96 s TRP 47 CO -0.08 0.67 0.22 1.47 0.02 0.00 0.00 176.95 179.25 2i96 n LEU 48 N -0.59 0.00 -3.81 2.99 -0.00 -0.38 -1.97 117.00 113.25 2i96 n LEU 48 Ca -0.06 -1.65 -0.18 0.00 -0.00 0.00 0.00 56.01 54.13 2i96 n LEU 48 Cb 0.59 1.19 -0.16 0.00 -0.00 0.00 0.00 43.42 45.04 2i96 n LEU 48 CO 0.38 -0.33 -0.37 -0.63 -0.00 0.00 0.00 177.39 176.44 2i96 s ILE 49 N -2.69 0.18 -0.53 1.47 1.01 0.56 0.00 121.20 121.21 2i96 s ILE 49 Ca 0.19 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2i96 s ILE 49 Cb 0.00 -0.29 0.14 0.00 0.01 0.00 0.00 42.46 42.31 2i96 s ILE 49 CO 0.13 0.16 0.29 -0.76 0.00 0.00 0.00 174.94 174.76 2i96 s LEU 50 N 1.17 4.62 -0.63 2.97 1.43 -0.13 -1.75 118.68 126.36 2i96 s LEU 50 Ca -0.08 -2.89 -0.03 0.00 -1.03 0.00 0.00 54.13 50.11 2i96 s LEU 50 Cb -0.13 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2i96 s LEU 50 CO -0.02 -0.29 0.57 1.41 0.23 0.00 0.00 176.35 178.25 2i96 n HIS 51 N 3.32 -1.73 0.00 0.29 8.25 -1.26 -3.60 115.22 120.49 2i96 n HIS 51 Ca 0.06 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 2i96 n HIS 51 Cb 0.35 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 27.98 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 -2.32 0.00 -2.68 4.41 8.25 -1.26 -4.95 115.22 116.67 2i96 n HIS 52 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2i96 n HIS 52 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 0.00 4.59 0.11 -0.41 1.02 -1.24 -3.10 119.74 120.71 2i96 s LYS 53 Ca 0.00 1.47 -0.18 0.00 0.02 0.00 0.00 55.97 57.28 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 0.01 0.58 0.54 -0.92 0.00 0.00 175.35 175.56 2i96 s VAL 54 N 0.70 4.75 0.13 3.17 0.11 -0.03 -0.95 120.40 128.28 2i96 s VAL 54 Ca 0.51 1.12 0.11 0.00 -2.93 0.00 0.00 61.98 60.79 2i96 s VAL 54 Cb -0.23 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2i96 s VAL 54 CO 0.29 0.43 -0.26 -0.31 -3.33 0.00 0.00 175.10 171.93 2i96 s TYR 55 N -1.25 2.22 0.05 1.54 1.51 0.10 -2.59 117.35 118.92 2i96 s TYR 55 Ca 0.33 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2i96 s TYR 55 Cb -0.18 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2i96 s TYR 55 CO 0.19 0.33 -0.12 0.34 -1.11 0.00 0.00 175.55 175.18 2i96 s ASP 56 N -2.08 4.26 -0.03 2.29 2.15 -0.86 -1.25 116.67 121.15 2i96 s ASP 56 Ca 0.13 -0.32 -0.06 0.00 0.43 0.00 0.00 52.55 52.73 2i96 s ASP 56 Cb -0.10 -0.84 -0.02 0.00 -0.30 0.00 0.00 42.92 41.66 2i96 s ASP 56 CO 0.06 0.24 -0.13 0.18 -0.17 0.00 0.00 175.17 175.35 2i96 n LEU 57 N 1.28 1.13 0.00 -1.34 7.99 -0.44 -4.85 117.00 120.76 2i96 n LEU 57 Ca -0.15 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2i96 n LEU 57 Cb 0.52 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 2i96 n LEU 57 CO 0.30 -0.52 0.00 0.35 -1.51 0.00 0.00 177.39 176.01 2i96 n THR 58 N -3.59 0.00 -0.04 -5.08 -2.24 -1.26 -0.39 114.28 101.68 2i96 n THR 58 Ca -0.05 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2i96 n THR 58 Cb 0.19 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.63 0.00 -0.78 1.57 -1.98 -3.16 116.57 112.85 2i96 h LYS 59 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2i96 h LYS 59 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2i96 h LYS 59 CO 0.00 0.65 0.00 0.34 -0.57 0.00 0.00 179.45 179.87 2i96 n PHE 60 N -4.25 0.60 -0.22 -1.35 7.35 0.47 -3.60 117.46 116.47 2i96 n PHE 60 Ca 0.02 0.25 0.10 0.00 -0.76 0.00 0.00 57.45 57.06 2i96 n PHE 60 Cb 0.27 -0.90 0.39 0.00 0.35 0.00 0.00 39.48 39.59 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 0.61 -1.99 -2.13 3.38 -1.76 0.04 115.31 113.46 2i96 h LEU 61 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2i96 h LEU 61 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2i96 h LEU 61 CO 0.00 0.35 0.00 -1.84 0.09 0.00 0.00 178.44 177.04 2i96 n GLU 62 N -4.51 1.86 0.00 1.13 0.28 -1.24 -3.44 120.64 114.72 2i96 n GLU 62 Ca 0.14 -1.80 0.06 0.00 -0.16 0.00 0.00 57.16 55.40 2i96 n GLU 62 Cb 0.38 -1.37 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 2i96 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2i96 n GLU 63 N 1.07 2.55 -4.23 3.44 2.13 -0.08 -4.91 120.64 120.60 2i96 n GLU 63 Ca 0.13 -0.17 -0.34 0.00 0.66 0.00 0.00 57.16 57.44 2i96 n GLU 63 Cb 0.48 -1.13 -0.11 0.00 0.27 0.00 0.00 31.44 30.96 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2i96 s HIS 64 N -2.09 3.15 0.00 4.31 2.46 -0.73 -5.06 115.29 117.33 2i96 s HIS 64 Ca 0.06 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.54 2i96 s HIS 64 Cb 0.10 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 2i96 s HIS 64 CO 0.48 0.14 0.89 -0.35 -2.47 0.00 0.00 174.74 173.44 2i96 n PRO 65 N 3.28 0.00 -1.98 2.88 -0.04 -1.26 -2.69 135.00 135.19 2i96 n PRO 65 Ca -0.17 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.56 2i96 n PRO 65 Cb 0.53 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2i96 n PRO 65 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i96 n GLY 66 N -0.95 5.19 0.00 0.55 0.00 -1.26 -4.93 105.19 103.79 2i96 n GLY 66 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2i96 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 67 N 1.64 4.91 5.09 -0.02 0.00 -1.10 -4.28 105.19 111.44 2i96 n GLY 67 Ca 0.62 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.13 0.00 0.04 1.61 2.13 -1.22 -2.71 120.64 120.37 2i96 n GLU 68 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2i96 n GLU 68 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 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 -0.09 -1.14 5.31 4.57 -1.92 0.14 114.58 121.45 2i96 h GLU 69 Ca 0.00 0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.84 2i96 h GLU 69 Cb 0.00 0.02 -0.18 0.00 -0.16 0.00 0.00 28.75 28.43 2i96 h GLU 69 CO 0.00 0.20 0.45 0.28 -1.18 0.00 0.00 179.01 178.76 2i96 n VAL 70 N -5.00 2.57 0.00 0.32 0.31 -1.10 -3.54 118.33 111.90 2i96 n VAL 70 Ca -0.08 -1.45 0.00 0.00 -0.01 0.00 0.00 64.34 62.79 2i96 n VAL 70 Cb 0.18 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2i96 n VAL 70 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2i96 n LEU 71 N -0.30 0.59 0.28 7.52 7.94 -0.93 -4.57 117.00 127.52 2i96 n LEU 71 Ca 0.37 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.45 2i96 n LEU 71 Cb 0.99 0.00 0.95 0.00 0.53 0.00 0.00 43.42 45.89 2i96 n LEU 71 CO 0.41 0.01 1.15 0.08 -1.11 0.00 0.00 177.39 177.94 2i96 h ARG 72 N 0.00 0.00 -0.33 1.96 0.11 -0.78 0.21 114.38 115.54 2i96 h ARG 72 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2i96 h ARG 72 Cb 0.78 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.84 2i96 h ARG 72 CO 0.00 0.00 0.14 1.49 0.10 0.00 0.00 179.97 181.70 2i96 h GLU 73 N 0.00 0.46 0.00 0.08 4.57 -1.81 -3.09 114.58 114.79 2i96 h GLU 73 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2i96 h GLU 73 Cb 0.28 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2i96 h GLU 73 CO -0.00 0.37 -0.41 1.04 -1.18 0.00 0.00 179.01 178.84 2i96 n GLN 74 N -4.41 4.26 -2.18 1.92 1.13 -0.18 -4.98 117.38 112.95 2i96 n GLN 74 Ca 0.02 -0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.65 2i96 n GLN 74 Cb 0.13 -0.88 -0.02 0.00 0.11 0.00 0.00 30.24 29.57 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 -1.77 3.21 0.00 -1.58 0.00 -0.12 -3.68 121.76 117.83 2i96 s ALA 75 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2i96 s ALA 75 Cb 0.06 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2i96 s ALA 75 CO 0.32 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.44 2i96 n GLY 76 N 4.74 0.40 0.00 0.00 0.00 -0.83 -4.63 105.19 104.87 2i96 n GLY 76 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.93 2.05 -0.02 0.00 -1.24 -4.10 105.19 102.81 2i96 n GLY 77 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2i96 n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2i96 n ASP 78 N 0.00 4.43 0.06 1.61 2.03 -1.26 -0.33 116.55 123.09 2i96 n ASP 78 Ca 0.00 -2.32 0.03 0.00 0.52 0.00 0.00 54.79 53.02 2i96 n ASP 78 Cb 0.00 -1.19 0.17 0.00 -0.72 0.00 0.00 41.12 39.38 2i96 n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i96 n ALA 79 N 2.52 0.79 -0.50 -1.67 0.00 -0.71 -4.29 120.51 116.64 2i96 n ALA 79 Ca 0.34 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 2i96 n ALA 79 Cb 0.76 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.66 1.60 -0.14 0.00 5.66 -1.15 -3.70 114.28 114.89 2i96 n THR 80 Ca -0.00 -0.91 -0.28 0.00 -3.05 0.00 0.00 64.05 59.80 2i96 n THR 80 Cb 0.14 -1.88 -0.10 0.00 -1.55 0.00 0.00 70.33 66.94 2i96 n THR 80 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2i96 n GLU 81 N 3.88 0.60 -0.28 1.09 2.13 -1.26 -4.31 120.64 122.48 2i96 n GLU 81 Ca 0.28 0.26 0.21 0.00 0.66 0.00 0.00 57.16 58.57 2i96 n GLU 81 Cb 0.19 -1.51 0.52 0.00 0.27 0.00 0.00 31.44 30.91 2i96 n GLU 81 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2i96 h ASN 82 N -0.86 0.41 0.96 4.31 -0.26 -1.96 -0.89 115.58 117.29 2i96 h ASN 82 Ca -0.67 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.07 2i96 h ASN 82 Cb 1.64 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.88 2i96 h ASN 82 CO -0.37 0.13 -0.26 0.15 -1.06 0.00 0.00 177.43 176.01 2i96 h PHE 83 N 0.39 0.00 0.00 1.19 3.04 -1.77 -2.22 116.94 117.57 2i96 h PHE 83 Ca 0.52 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 62.28 2i96 h PHE 83 Cb 1.35 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.83 2i96 h PHE 83 CO -0.00 0.26 -1.59 0.39 -2.02 0.00 0.00 178.31 175.35 2i96 n GLU 84 N -3.40 0.63 -0.09 1.11 -0.58 -0.38 -2.55 120.64 115.38 2i96 n GLU 84 Ca 0.00 0.18 -0.15 0.00 -0.42 0.00 0.00 57.16 56.78 2i96 n GLU 84 Cb 0.46 -1.76 -0.08 0.00 -0.57 0.00 0.00 31.44 29.49 2i96 n GLU 84 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2i96 h ASP 85 N 0.00 0.00 -0.24 1.62 3.58 -1.30 -3.39 116.42 116.69 2i96 h ASP 85 Ca -0.21 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 56.84 2i96 h ASP 85 Cb 1.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.72 2i96 h ASP 85 CO 0.05 1.17 0.00 1.33 -2.88 0.00 0.00 179.24 178.90 2i96 n VAL 86 N -4.53 0.84 0.00 2.25 0.24 -0.85 -5.07 118.33 111.22 2i96 n VAL 86 Ca -0.21 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 2i96 n VAL 86 Cb 0.50 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2i96 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i96 n GLY 87 N 0.35 4.00 3.81 7.63 0.00 -1.06 -4.83 105.19 115.10 2i96 n GLY 87 Ca 0.09 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2i96 n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i96 s HIS 88 N 0.00 -0.02 -0.04 1.61 3.76 -1.26 -4.36 115.29 114.97 2i96 s HIS 88 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2i96 s HIS 88 Cb 0.00 0.69 0.05 0.00 1.11 0.00 0.00 32.58 34.43 2i96 s HIS 88 CO 0.00 -0.95 1.29 -1.13 -0.85 0.00 0.00 174.74 173.10 2i96 n SER 89 N -0.87 3.63 0.00 1.40 3.41 -1.26 -4.83 113.62 115.09 2i96 n SER 89 Ca -0.05 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 2i96 n SER 89 Cb 0.60 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2i96 n SER 89 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2i96 n THR 90 N 0.57 0.00 -0.21 6.66 -1.04 -1.26 -4.60 114.28 114.40 2i96 n THR 90 Ca 0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.08 2i96 n THR 90 Cb 0.58 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.21 2i96 n THR 90 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2i96 h ASP 91 N 0.00 -0.04 0.00 8.00 1.82 -2.01 0.04 116.42 124.24 2i96 h ASP 91 Ca 0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2i96 h ASP 91 Cb 0.00 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2i96 h ASP 91 CO 0.00 -0.02 0.00 0.00 -1.61 0.00 0.00 179.24 177.61 2i96 n ALA 92 N -2.64 2.17 0.48 -0.78 0.00 -1.26 0.01 120.51 118.48 2i96 n ALA 92 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2i96 n ALA 92 Cb 0.36 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 2i96 n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i96 n ARG 93 N -0.11 0.46 0.00 0.00 1.74 0.00 -4.47 116.66 114.29 2i96 n ARG 93 Ca 0.00 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2i96 n ARG 93 Cb 0.12 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2i96 n ARG 93 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2i96 n GLU 94 N -1.85 1.14 0.04 5.56 2.13 -0.40 -4.79 120.64 122.47 2i96 n GLU 94 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2i96 n GLU 94 Cb 0.43 -0.69 0.07 0.00 0.27 0.00 0.00 31.44 31.52 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 2i96 h MET 95 N 0.00 0.43 0.00 5.31 4.05 -0.69 -3.28 114.93 120.74 2i96 h MET 95 Ca 0.00 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2i96 h MET 95 Cb 0.39 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2i96 h MET 95 CO 0.00 0.90 0.00 -1.13 0.23 0.00 0.00 176.91 176.91 2i96 n SER 96 N -3.91 0.00 -0.04 1.39 3.41 -1.26 -3.86 113.62 109.35 2i96 n SER 96 Ca -0.03 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.80 2i96 n SER 96 Cb 0.63 -0.36 0.43 0.00 -0.26 0.00 0.00 64.21 64.65 2i96 n SER 96 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2i96 h LYS 97 N 0.00 0.53 -0.39 4.33 1.79 -1.89 -0.28 116.57 120.66 2i96 h LYS 97 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2i96 h LYS 97 Cb 0.25 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2i96 h LYS 97 CO 0.00 0.35 0.00 0.25 -1.08 0.00 0.00 179.45 178.97 2i96 n THR 98 N -4.47 0.51 0.62 -0.16 -2.24 -1.25 -3.35 114.28 103.93 2i96 n THR 98 Ca 0.06 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.34 2i96 n THR 98 Cb 0.16 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.93 0.05 -2.39 4.78 3.72 -0.13 -4.77 117.46 119.65 2i96 n PHE 99 Ca 0.17 0.01 -0.37 0.00 -0.05 0.00 0.00 57.45 57.22 2i96 n PHE 99 Cb 0.45 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 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 -3.19 3.82 0.16 4.37 1.01 -1.15 -2.04 121.20 124.19 2i96 s ILE 100 Ca 0.03 -1.01 0.24 0.00 0.00 0.00 0.00 60.65 59.91 2i96 s ILE 100 Cb 0.15 -4.81 0.24 0.00 0.01 0.00 0.00 42.46 38.05 2i96 s ILE 100 CO 0.87 -1.62 1.85 0.16 0.00 0.00 0.00 174.94 176.19 2i96 h ILE 101 N 6.48 0.55 0.00 2.92 3.07 -1.80 -3.48 117.51 125.24 2i96 h ILE 101 Ca 0.25 -1.06 0.00 0.00 1.55 0.00 0.00 64.86 65.60 2i96 h ILE 101 Cb 0.96 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 2i96 h ILE 101 CO 1.36 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 179.28 2i96 n GLY 102 N 0.08 -0.63 1.94 0.16 0.00 -1.23 -4.74 105.19 100.77 2i96 n GLY 102 Ca -0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 0.44 -1.40 1.61 1.02 -0.11 -0.85 120.64 121.35 2i96 n GLU 103 Ca 0.00 -2.01 -0.29 0.00 -0.02 0.00 0.00 57.16 54.84 2i96 n GLU 103 Cb 0.00 1.42 0.14 0.00 -0.02 0.00 0.00 31.44 32.98 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 2.08 0.85 -4.62 1.43 -1.18 -0.85 118.68 116.40 2i96 s LEU 104 Ca 0.19 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 2i96 s LEU 104 Cb 0.01 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.79 2i96 s LEU 104 CO 0.13 -2.58 1.10 -2.28 0.23 0.00 0.00 176.35 172.95 2i96 s HIS 105 N -3.12 2.28 -0.79 0.29 2.46 0.16 -4.32 115.29 112.26 2i96 s HIS 105 Ca 0.63 1.47 0.00 0.00 0.47 0.00 0.00 55.06 57.64 2i96 s HIS 105 Cb -0.16 -3.13 0.03 0.00 -0.13 0.00 0.00 32.58 29.18 2i96 s HIS 105 CO 0.55 -2.25 0.92 -0.35 -2.47 0.00 0.00 174.74 171.14 2i96 n PRO 106 N -3.82 0.00 -0.05 2.88 -0.04 -1.26 0.06 135.00 132.76 2i96 n PRO 106 Ca 0.08 0.41 -0.06 0.00 -0.04 0.00 0.00 63.50 63.89 2i96 n PRO 106 Cb 0.54 -1.61 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 2i96 n PRO 106 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2i96 n ASP 107 N -1.43 0.34 -0.11 3.54 2.03 -1.26 -4.45 116.55 115.21 2i96 n ASP 107 Ca -0.00 0.16 -0.13 0.00 0.52 0.00 0.00 54.79 55.34 2i96 n ASP 107 Cb 0.10 0.71 -0.13 0.00 -0.72 0.00 0.00 41.12 41.08 2i96 n ASP 107 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2i96 n ASP 108 N -2.80 1.22 -0.10 1.67 8.00 -0.11 -4.05 116.55 120.39 2i96 n ASP 108 Ca -0.23 -0.06 -0.06 0.00 0.71 0.00 0.00 54.79 55.15 2i96 n ASP 108 Cb 1.03 0.32 0.01 0.00 -0.02 0.00 0.00 41.12 42.47 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2i96 h ARG 109 N 0.00 0.20 0.00 -1.24 2.43 -0.60 -2.69 114.38 112.48 2i96 h ARG 109 Ca -0.52 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.51 2i96 h ARG 109 Cb 2.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.48 2i96 h ARG 109 CO -0.03 0.13 -0.93 -1.00 -1.51 0.00 0.00 179.97 176.64 2i96 h PRO 110 N 0.21 0.00 0.00 0.20 0.13 -1.81 -3.48 132.00 127.25 2i96 h PRO 110 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2i96 h PRO 110 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2i96 h PRO 110 CO -0.20 0.40 0.00 1.63 -0.23 0.00 0.00 178.00 179.60 2i96 n LYS 111 N -3.06 0.00 -0.01 0.86 5.02 -1.02 -4.89 118.16 115.06 2i96 n LYS 111 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2i96 n LYS 111 Cb 0.78 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.76 2i96 n LYS 111 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2i96 n LEU 112 N 0.00 0.00 -0.32 -0.35 -0.00 -1.26 -4.89 117.00 110.18 2i96 n LEU 112 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.20 2i96 n LEU 112 Cb 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 43.79 2i96 n LEU 112 CO 0.00 -0.13 0.83 0.59 -0.00 0.00 0.00 177.39 178.69 2i96 n ASN 113 N -0.75 0.02 -0.42 1.45 5.03 -1.26 -4.92 115.26 114.41 2i96 n ASN 113 Ca 0.00 1.61 0.00 0.00 0.87 0.00 0.00 54.58 57.06 2i96 n ASN 113 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.12 2i96 n ASN 113 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2i96 n LYS 114 N -5.33 -1.14 -1.69 3.52 4.81 -1.26 -4.86 118.16 112.20 2i96 n LYS 114 Ca 0.27 0.88 -0.44 0.00 -0.87 0.00 0.00 58.31 58.14 2i96 n LYS 114 Cb 0.88 -1.07 -0.03 0.00 0.02 0.00 0.00 35.03 34.83 2i96 n LYS 114 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2i96 n PRO 115 N -1.57 2.33 0.22 1.64 -0.02 -1.26 -4.94 135.00 131.40 2i96 n PRO 115 Ca 0.00 0.84 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 2i96 n PRO 115 Cb 0.09 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 30.87 2i96 n PRO 115 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2i96 h PRO 116 N 5.71 -0.86 -6.05 0.52 0.11 -2.03 -3.45 132.00 125.95 2i96 h PRO 116 Ca -0.45 0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.15 2i96 h PRO 116 Cb 1.24 0.20 -0.10 0.00 0.11 0.00 0.00 31.00 32.45 2i96 h PRO 116 CO 0.87 -0.57 -0.60 -1.21 -0.21 0.00 0.00 178.00 176.28 2i96 s GLU 117 N -5.72 2.15 0.03 1.05 0.41 -1.26 -5.15 118.70 110.21 2i96 s GLU 117 Ca -0.17 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 52.71 2i96 s GLU 117 Cb 0.05 -1.99 -0.00 0.00 -1.78 0.00 0.00 34.13 30.40 2i96 s GLU 117 CO 0.58 0.15 0.01 -2.37 -0.49 0.00 0.00 175.26 173.14 2i96 n THR 118 N -0.99 0.00 0.00 3.63 5.66 -1.26 -5.16 114.28 116.16 2i96 n THR 118 Ca -0.04 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2i96 n THR 118 Cb 0.62 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 2i96 n THR 118 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2i96 n LEU 119 N 0.00 0.00 -3.83 1.09 7.94 -1.26 -5.00 117.00 115.94 2i96 n LEU 119 Ca -0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 2i96 n LEU 119 Cb 0.05 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.90 2i96 n LEU 119 CO 0.02 0.00 0.08 -0.38 -1.11 0.00 0.00 177.39 176.01 2i96 n ILE 120 N 0.00 2.13 0.05 1.96 2.08 -1.26 -4.88 119.36 119.44 2i96 n ILE 120 Ca 0.00 -5.02 -0.03 0.00 0.56 0.00 0.00 62.75 58.25 2i96 n ILE 120 Cb 0.00 -2.20 -0.08 0.00 -0.75 0.00 0.00 39.64 36.61 2i96 n ILE 120 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2i96 h THR 121 N 4.03 1.02 -0.77 1.39 1.35 -2.01 -3.38 112.91 114.53 2i96 h THR 121 Ca 0.16 -2.62 -0.62 0.00 -0.55 0.00 0.00 66.41 62.78 2i96 h THR 121 Cb 0.74 2.45 -0.09 0.00 -1.73 0.00 0.00 68.15 69.51 2i96 h THR 121 CO 0.78 0.58 2.07 0.35 -0.25 0.00 0.00 175.52 179.05 2i96 n THR 122 N -3.14 4.45 -2.73 6.82 -2.24 -1.26 -4.71 114.28 111.47 2i96 n THR 122 Ca -0.06 -3.40 -0.42 0.00 -2.27 0.00 0.00 64.05 57.90 2i96 n THR 122 Cb 0.89 -2.09 0.01 0.00 -2.10 0.00 0.00 70.33 67.04 2i96 n THR 122 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2i96 n ILE 123 N 2.04 5.73 0.12 2.28 5.41 -1.26 -3.73 119.36 129.95 2i96 n ILE 123 Ca 0.62 -5.83 -0.05 0.00 1.00 0.00 0.00 62.75 58.48 2i96 n ILE 123 Cb 0.37 -1.81 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 2i96 n ILE 123 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2i96 h ASP 124 N 4.75 -0.29 0.00 4.38 1.82 -1.84 -3.43 116.42 121.80 2i96 h ASP 124 Ca 0.41 0.01 -0.27 0.00 -0.39 0.00 0.00 57.03 56.79 2i96 h ASP 124 Cb 0.44 0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.48 2i96 h ASP 124 CO 1.27 -0.02 -2.00 -1.54 -1.61 0.00 0.00 179.24 175.35 2i96 n SER 125 N -4.01 2.28 0.00 2.28 3.41 0.06 -5.04 113.62 112.60 2i96 n SER 125 Ca -0.04 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2i96 n SER 125 Cb 0.14 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2i96 n SER 125 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2i96 n SER 126 N -3.23 0.00 -0.27 4.04 3.41 -1.26 -4.94 113.62 111.37 2i96 n SER 126 Ca -0.32 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.34 2i96 n SER 126 Cb 0.81 0.26 0.08 0.00 -0.26 0.00 0.00 64.21 65.10 2i96 n SER 126 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2i96 n SER 127 N -1.80 1.27 0.00 4.04 3.41 -1.26 -4.64 113.62 114.64 2i96 n SER 127 Ca 0.00 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 2i96 n SER 127 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2i96 n SER 127 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64