#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 -0.64 0.00 -5.12 0.00 -1.26 -5.08 121.76 109.66 2i96 s ALA 22 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2i96 s ALA 22 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2i96 s ALA 22 CO 0.00 -0.16 0.00 0.39 0.00 0.00 0.00 175.76 175.99 2i96 n GLU 23 N 2.42 0.00 -1.70 0.00 -0.58 -1.26 -4.84 120.64 114.68 2i96 n GLU 23 Ca -0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.58 2i96 n GLU 23 Cb 0.57 -0.16 0.07 0.00 -0.57 0.00 0.00 31.44 31.35 2i96 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i96 n GLN 24 N -0.39 1.32 0.00 3.49 10.64 -1.26 -5.05 117.38 126.13 2i96 n GLN 24 Ca 0.00 -2.99 0.00 0.00 -1.83 0.00 0.00 57.00 52.18 2i96 n GLN 24 Cb 0.00 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2i96 n SER 25 N -0.32 0.00 -1.62 2.61 7.64 -1.26 -4.00 113.62 116.67 2i96 n SER 25 Ca 0.15 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 2i96 n SER 25 Cb 0.93 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.21 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 2.20 3.94 -0.33 6.43 8.00 -1.26 -4.99 116.55 130.55 2i96 n ASP 26 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2i96 n ASP 26 Cb 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i96 n GLU 27 N -0.12 0.00 -2.87 -1.24 1.02 -1.26 -4.80 120.64 111.38 2i96 n GLU 27 Ca 0.28 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.09 2i96 n GLU 27 Cb 0.95 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 32.31 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i96 s ALA 28 N -1.90 3.20 -0.00 0.62 0.00 -1.26 -4.77 121.76 117.65 2i96 s ALA 28 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2i96 s ALA 28 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 2i96 s ALA 28 CO 0.00 0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.92 2i96 s VAL 29 N -2.22 0.32 -0.35 0.00 1.01 -1.26 -5.11 120.40 112.78 2i96 s VAL 29 Ca 0.57 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2i96 s VAL 29 Cb -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2i96 s VAL 29 CO 0.21 0.08 1.34 -0.54 0.00 0.00 0.00 175.10 176.18 2i96 s LYS 30 N -0.12 3.77 0.36 2.72 3.01 -1.26 -4.97 119.74 123.25 2i96 s LYS 30 Ca 0.01 1.09 0.08 0.00 -1.01 0.00 0.00 55.97 56.13 2i96 s LYS 30 Cb -0.02 -3.94 -0.02 0.00 -1.01 0.00 0.00 37.83 32.84 2i96 s LYS 30 CO -0.00 -1.31 0.33 0.71 0.51 0.00 0.00 175.35 175.58 2i96 s TYR 31 N 4.81 2.84 0.02 3.18 2.02 -1.26 -1.42 117.35 127.53 2i96 s TYR 31 Ca 0.58 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2i96 s TYR 31 Cb -0.15 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2i96 s TYR 31 CO 0.27 0.07 -0.03 0.71 -1.57 0.00 0.00 175.55 175.00 2i96 s TYR 32 N -2.36 0.26 0.90 2.71 2.02 0.82 -4.85 117.35 116.85 2i96 s TYR 32 Ca 0.44 -0.51 -0.13 0.00 -0.37 0.00 0.00 57.07 56.50 2i96 s TYR 32 Cb -0.05 -0.19 0.13 0.00 -0.40 0.00 0.00 41.96 41.45 2i96 s TYR 32 CO 0.27 -0.18 1.16 0.95 -1.57 0.00 0.00 175.55 176.18 2i96 s THR 33 N -1.41 1.99 0.22 -0.71 -4.23 -1.26 -1.08 115.64 109.16 2i96 s THR 33 Ca -0.15 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 2i96 s THR 33 Cb -0.10 -2.82 0.18 0.00 1.34 0.00 0.00 72.50 71.11 2i96 s THR 33 CO -0.01 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.03 2i96 h LEU 34 N -1.43 0.05 -0.42 4.79 5.85 -1.95 -2.79 115.31 119.40 2i96 h LEU 34 Ca -0.49 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.43 2i96 h LEU 34 Cb 1.33 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 2i96 h LEU 34 CO 0.61 0.02 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.53 2i96 h GLU 35 N 0.29 -0.02 0.00 1.25 4.81 -1.94 0.64 114.58 119.61 2i96 h GLU 35 Ca 0.34 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 2i96 h GLU 35 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2i96 h GLU 35 CO -0.41 -0.01 -0.44 0.93 -0.73 0.00 0.00 179.01 178.34 2i96 h GLU 36 N -0.02 0.00 0.01 1.92 5.08 -1.86 -0.47 114.58 119.24 2i96 h GLU 36 Ca 0.21 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.25 2i96 h GLU 36 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2i96 h GLU 36 CO -0.45 0.44 -1.85 -0.89 -1.00 0.00 0.00 179.01 175.27 2i96 n ILE 37 N -3.99 1.58 -0.32 3.13 5.41 -0.88 -3.60 119.36 120.70 2i96 n ILE 37 Ca -0.02 -0.80 -0.04 0.00 1.00 0.00 0.00 62.75 62.90 2i96 n ILE 37 Cb 0.47 -0.99 0.08 0.00 -0.71 0.00 0.00 39.64 38.49 2i96 n ILE 37 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2i96 h GLN 38 N 0.00 1.20 0.00 0.38 5.75 0.42 -1.91 115.11 120.95 2i96 h GLN 38 Ca -0.34 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2i96 h GLN 38 Cb 2.05 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 30.37 2i96 h GLN 38 CO 0.07 0.87 0.00 1.17 -2.65 0.00 0.00 178.83 178.29 2i96 n LYS 39 N -4.38 0.02 -0.45 1.69 4.81 -0.20 -2.09 118.16 117.57 2i96 n LYS 39 Ca 0.09 0.22 0.05 0.00 -0.87 0.00 0.00 58.31 57.80 2i96 n LYS 39 Cb 0.09 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 33.83 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 -1.48 0.49 -3.96 5.64 8.25 -0.73 -4.77 115.22 118.66 2i96 n HIS 40 Ca 0.04 -1.22 -0.31 0.00 -0.26 0.00 0.00 57.72 55.98 2i96 n HIS 40 Cb 0.18 -0.29 -0.15 0.00 1.12 0.00 0.00 29.99 30.85 2i96 n HIS 40 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2i96 s ASN 41 N -2.64 4.60 0.19 0.41 2.47 -0.89 -1.76 114.94 117.32 2i96 s ASN 41 Ca 0.39 -2.13 0.00 0.00 0.42 0.00 0.00 52.86 51.54 2i96 s ASN 41 Cb 0.34 -1.49 0.00 0.00 -1.45 0.00 0.00 41.25 38.66 2i96 s ASN 41 CO 0.02 -0.38 0.00 0.00 -3.72 0.00 0.00 177.10 173.02 2i96 n HIS 42 N 4.28 -1.98 0.00 0.43 1.44 -0.94 -5.00 115.22 113.45 2i96 n HIS 42 Ca 0.03 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 2i96 n HIS 42 Cb 0.41 0.97 0.00 0.00 0.12 0.00 0.00 29.99 31.49 2i96 n HIS 42 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2i96 n SER 43 N -3.07 0.00 -0.28 4.39 3.41 -1.26 -4.97 113.62 111.84 2i96 n SER 43 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 2i96 n SER 43 Cb 0.00 0.08 0.14 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.79 -6.30 4.33 1.63 -1.99 -3.39 116.57 111.64 2i96 h LYS 44 Ca 0.00 -0.05 -0.69 0.00 -0.85 0.00 0.00 60.65 59.06 2i96 h LYS 44 Cb 0.00 -0.18 -0.26 0.00 -0.60 0.00 0.00 32.23 31.19 2i96 h LYS 44 CO 0.00 0.52 -0.81 0.45 -3.45 0.00 0.00 179.45 176.16 2i96 s SER 45 N -5.66 3.70 -0.34 4.20 0.15 -1.26 -4.90 113.70 109.60 2i96 s SER 45 Ca -0.13 -0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.22 2i96 s SER 45 Cb 0.18 -0.77 0.13 0.00 -1.71 0.00 0.00 66.02 63.85 2i96 s SER 45 CO 0.78 0.32 0.23 -0.89 1.20 0.00 0.00 173.24 174.88 2i96 s THR 46 N -0.58 -0.05 0.77 6.45 2.01 -1.17 -2.21 115.64 120.86 2i96 s THR 46 Ca 0.08 -1.25 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 2i96 s THR 46 Cb -0.11 -0.98 0.14 0.00 0.01 0.00 0.00 72.50 71.55 2i96 s THR 46 CO 0.01 -0.81 1.06 0.26 -0.69 0.00 0.00 174.62 174.45 2i96 s TRP 47 N 1.49 1.72 0.08 4.92 0.51 -0.72 -2.97 118.94 123.96 2i96 s TRP 47 Ca 0.15 -0.09 -0.18 0.00 -2.12 0.00 0.00 56.10 53.86 2i96 s TRP 47 Cb -0.19 -3.24 0.04 0.00 -0.81 0.00 0.00 33.47 29.26 2i96 s TRP 47 CO -0.11 -1.87 0.44 -0.48 -0.51 0.00 0.00 176.95 174.41 2i96 s LEU 48 N -5.30 0.27 -0.19 2.99 2.34 -1.09 -0.08 118.68 117.62 2i96 s LEU 48 Ca 0.67 -0.08 -0.01 0.00 0.06 0.00 0.00 54.13 54.78 2i96 s LEU 48 Cb -0.05 1.88 0.00 0.00 -0.56 0.00 0.00 46.19 47.46 2i96 s LEU 48 CO 0.46 -0.75 -0.13 -0.63 -1.06 0.00 0.00 176.35 174.24 2i96 s ILE 49 N -2.98 2.70 0.00 1.48 1.01 0.49 0.69 121.20 124.59 2i96 s ILE 49 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2i96 s ILE 49 Cb 0.00 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2i96 s ILE 49 CO -0.06 0.49 0.00 0.18 0.00 0.00 0.00 174.94 175.55 2i96 n LEU 50 N 4.51 0.00 -3.58 2.97 7.99 0.28 0.65 117.00 129.82 2i96 n LEU 50 Ca -0.19 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.40 2i96 n LEU 50 Cb 0.51 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2i96 n LEU 50 CO 0.28 0.00 2.25 1.41 -1.51 0.00 0.00 177.39 179.82 2i96 n HIS 51 N 0.00 2.66 -0.90 -1.77 8.25 -1.26 -4.26 115.22 117.94 2i96 n HIS 51 Ca 0.00 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.66 2i96 n HIS 51 Cb 0.00 -1.83 0.00 0.00 1.12 0.00 0.00 29.99 29.28 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 2.16 0.00 -5.09 4.41 8.25 -1.26 -4.98 115.22 118.71 2i96 n HIS 52 Ca 0.56 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.71 2i96 n HIS 52 Cb 0.27 -0.74 -0.15 0.00 1.12 0.00 0.00 29.99 30.50 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 -0.64 2.10 0.04 -0.41 1.02 -1.26 -2.81 119.74 117.78 2i96 s LYS 53 Ca 0.00 -0.94 -0.20 0.00 0.02 0.00 0.00 55.97 54.86 2i96 s LYS 53 Cb 0.00 -2.10 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 2i96 s LYS 53 CO 0.00 0.56 0.58 0.54 -0.92 0.00 0.00 175.35 176.10 2i96 s VAL 54 N -0.71 4.82 0.44 3.17 0.11 -0.00 -0.56 120.40 127.68 2i96 s VAL 54 Ca 0.11 1.22 0.01 0.00 -2.93 0.00 0.00 61.98 60.39 2i96 s VAL 54 Cb -0.10 -3.91 0.01 0.00 -1.53 0.00 0.00 36.38 30.85 2i96 s VAL 54 CO 0.01 0.50 0.09 -1.22 -3.33 0.00 0.00 175.10 171.14 2i96 n TYR 55 N 2.17 0.55 -4.15 1.54 4.02 0.22 -1.84 117.16 119.66 2i96 n TYR 55 Ca -0.09 -2.10 -0.16 0.00 -0.01 0.00 0.00 57.90 55.55 2i96 n TYR 55 Cb 0.51 -0.31 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 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 -3.48 1.42 -0.01 7.72 -1.08 -0.97 -2.67 116.67 117.60 2i96 s ASP 56 Ca 0.07 -0.67 0.02 0.00 -0.52 0.00 0.00 52.55 51.45 2i96 s ASP 56 Cb -0.01 -0.01 0.02 0.00 -1.46 0.00 0.00 42.92 41.47 2i96 s ASP 56 CO 0.04 -0.17 0.76 0.18 0.52 0.00 0.00 175.17 176.51 2i96 n LEU 57 N 1.08 0.52 -4.71 -1.34 4.77 -1.16 -4.90 117.00 111.27 2i96 n LEU 57 Ca -0.20 -0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 2i96 n LEU 57 Cb 0.55 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2i96 n LEU 57 CO 0.23 0.20 1.17 0.42 -1.33 0.00 0.00 177.39 178.08 2i96 s THR 58 N -0.40 3.14 0.00 -5.08 -4.23 -1.26 0.07 115.64 107.88 2i96 s THR 58 Ca 0.03 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2i96 s THR 58 Cb 0.02 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.38 2i96 s THR 58 CO 0.00 0.04 0.00 0.29 -0.54 0.00 0.00 174.62 174.41 2i96 n LYS 59 N 4.49 0.00 0.18 3.99 5.02 -1.26 -4.76 118.16 125.83 2i96 n LYS 59 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.56 2i96 n LYS 59 Cb 0.41 0.00 0.51 0.00 -0.02 0.00 0.00 35.03 35.93 2i96 n LYS 59 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2i96 h PHE 60 N 0.00 0.00 -0.02 2.13 3.57 -0.74 -3.24 116.94 118.63 2i96 h PHE 60 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2i96 h PHE 60 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2i96 h PHE 60 CO 0.00 0.00 0.07 -0.07 -2.23 0.00 0.00 178.31 176.08 2i96 h LEU 61 N 0.00 0.00 0.00 0.59 3.38 -1.57 -0.84 115.31 116.88 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 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2i96 h LEU 61 CO 0.00 0.00 -1.73 -0.62 0.09 0.00 0.00 178.44 176.18 2i96 n GLU 62 N -3.26 0.56 0.04 1.13 1.02 -1.22 -4.50 120.64 114.42 2i96 n GLU 62 Ca -0.02 -0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.02 2i96 n GLU 62 Cb 0.14 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2i96 n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2i96 n GLU 63 N -2.05 0.63 -2.46 3.49 -0.58 -0.43 -4.90 120.64 114.32 2i96 n GLU 63 Ca -0.03 0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.40 2i96 n GLU 63 Cb 0.43 -1.75 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2i96 s HIS 64 N -3.14 3.10 -0.30 -0.32 2.46 -0.53 -4.94 115.29 111.62 2i96 s HIS 64 Ca -0.03 1.17 -0.30 0.00 0.47 0.00 0.00 55.06 56.37 2i96 s HIS 64 Cb 0.10 -3.43 -0.07 0.00 -0.13 0.00 0.00 32.58 29.04 2i96 s HIS 64 CO 0.82 -1.37 2.24 -2.30 -2.47 0.00 0.00 174.74 171.67 2i96 n PRO 65 N 5.70 1.58 -3.39 2.88 -0.02 -1.26 -2.54 135.00 137.94 2i96 n PRO 65 Ca 0.12 0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 2i96 n PRO 65 Cb 0.46 -3.01 0.08 0.00 -0.02 0.00 0.00 33.50 31.01 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 6.04 -0.68 3.27 -1.23 0.00 -1.26 -5.01 105.19 106.33 2i96 n GLY 66 Ca 0.35 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.97 -0.31 0.00 -0.02 0.00 -1.05 -4.95 107.32 97.01 2i96 s GLY 67 Ca 0.19 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.27 2i96 s GLY 67 CO 0.74 1.40 0.00 -2.21 0.00 0.00 0.00 173.10 173.04 2i96 n GLU 68 N 3.72 0.00 -0.06 2.90 2.13 -1.26 -4.68 120.64 123.40 2i96 n GLU 68 Ca -0.20 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.52 2i96 n GLU 68 Cb 0.56 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.23 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 0.30 -0.23 5.31 4.81 -1.95 -2.77 114.58 120.05 2i96 h GLU 69 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2i96 h GLU 69 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2i96 h GLU 69 CO 0.00 0.28 0.00 1.33 -0.73 0.00 0.00 179.01 179.89 2i96 n VAL 70 N -4.88 0.20 -0.00 0.32 0.24 -1.26 -2.81 118.33 110.14 2i96 n VAL 70 Ca -0.03 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.34 61.88 2i96 n VAL 70 Cb 0.07 0.01 -0.14 0.00 -1.47 0.00 0.00 33.84 32.32 2i96 n VAL 70 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2i96 n LEU 71 N -0.11 2.59 -0.25 1.34 4.77 -1.05 -4.46 117.00 119.83 2i96 n LEU 71 Ca 0.04 0.22 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 2i96 n LEU 71 Cb 0.14 -1.11 0.18 0.00 -2.33 0.00 0.00 43.42 40.30 2i96 n LEU 71 CO 0.03 0.81 0.90 -0.09 -1.33 0.00 0.00 177.39 177.72 2i96 h ARG 72 N -0.01 0.21 -0.90 3.23 2.43 -1.57 -1.44 114.38 116.32 2i96 h ARG 72 Ca -0.42 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 58.92 2i96 h ARG 72 Cb 1.98 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 31.37 2i96 h ARG 72 CO 0.06 0.14 0.46 1.49 -1.51 0.00 0.00 179.97 180.61 2i96 h GLU 73 N 0.21 0.55 -0.01 0.20 4.57 -1.78 -1.16 114.58 117.16 2i96 h GLU 73 Ca 0.42 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 2i96 h GLU 73 Cb 0.73 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2i96 h GLU 73 CO -0.56 0.37 -0.46 1.04 -1.18 0.00 0.00 179.01 178.22 2i96 n GLN 74 N -4.91 1.53 -2.53 1.92 1.13 -0.81 -4.97 117.38 108.74 2i96 n GLN 74 Ca 0.20 -0.69 -0.29 0.00 -1.94 0.00 0.00 57.00 54.28 2i96 n GLN 74 Cb 0.55 -1.32 -0.01 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 -2.16 3.30 0.00 -1.58 0.00 -0.44 -3.09 121.76 117.79 2i96 s ALA 75 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2i96 s ALA 75 Cb 0.14 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2i96 s ALA 75 CO 0.50 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.36 2i96 n GLY 76 N -2.03 2.76 0.00 0.00 0.00 0.88 -4.86 105.19 101.94 2i96 n GLY 76 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.29 5.59 3.58 -0.02 0.00 -1.25 -3.56 105.19 109.24 2i96 n GLY 77 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 1.00 5.40 -0.01 1.61 1.11 -1.26 -0.38 116.67 124.15 2i96 s ASP 78 Ca 0.00 1.18 0.21 0.00 0.18 0.00 0.00 52.55 54.13 2i96 s ASP 78 Cb 0.00 -2.52 -0.26 0.00 1.07 0.00 0.00 42.92 41.21 2i96 s ASP 78 CO 0.00 -2.12 0.76 0.00 1.18 0.00 0.00 175.17 174.99 2i96 n ALA 79 N 12.13 4.03 0.21 5.23 0.00 0.21 -4.36 120.51 137.96 2i96 n ALA 79 Ca 0.26 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 53.24 2i96 n ALA 79 Cb 0.49 -0.77 0.52 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.78 1.06 -0.21 0.00 5.66 -1.19 -3.06 114.28 114.76 2i96 n THR 80 Ca 0.01 0.60 -0.06 0.00 -3.05 0.00 0.00 64.05 61.55 2i96 n THR 80 Cb 0.42 -1.58 -0.00 0.00 -1.55 0.00 0.00 70.33 67.62 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 -0.17 -0.01 1.09 4.57 -1.91 -2.07 114.58 116.09 2i96 h GLU 81 Ca 0.00 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.03 2i96 h GLU 81 Cb 0.09 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2i96 h GLU 81 CO 0.00 -0.11 -0.76 -0.91 -1.18 0.00 0.00 179.01 176.05 2i96 h ASN 82 N -0.17 0.08 0.48 1.04 4.21 -1.90 -3.18 115.58 116.14 2i96 h ASN 82 Ca 0.22 -0.06 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 2i96 h ASN 82 Cb 0.56 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 2i96 h ASN 82 CO -0.70 0.81 -0.42 0.15 -1.29 0.00 0.00 177.43 175.98 2i96 h PHE 83 N 0.04 0.00 0.00 1.19 3.57 -1.55 -2.57 116.94 117.61 2i96 h PHE 83 Ca -0.02 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2i96 h PHE 83 Cb 1.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2i96 h PHE 83 CO 0.01 0.42 -0.52 0.93 -2.23 0.00 0.00 178.31 176.92 2i96 h GLU 84 N 0.00 0.00 0.00 1.11 4.39 -1.46 -3.36 114.58 115.26 2i96 h GLU 84 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2i96 h GLU 84 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2i96 h GLU 84 CO 0.05 0.33 -0.61 0.22 -1.16 0.00 0.00 179.01 177.85 2i96 h ASP 85 N 0.00 0.00 0.00 1.42 3.58 -1.61 -3.49 116.42 116.32 2i96 h ASP 85 Ca -0.02 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2i96 h ASP 85 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2i96 h ASP 85 CO 0.04 0.99 0.00 0.55 -2.88 0.00 0.00 179.24 177.95 2i96 n VAL 86 N -4.58 0.00 -3.70 2.25 3.14 -0.99 -5.15 118.33 109.31 2i96 n VAL 86 Ca -0.15 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.12 2i96 n VAL 86 Cb 0.39 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.07 2i96 n VAL 86 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2i96 s GLY 87 N 0.00 -0.38 0.11 7.55 0.00 -1.25 -4.79 107.32 108.56 2i96 s GLY 87 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.28 2i96 s GLY 87 CO 0.00 1.52 0.00 1.42 0.00 0.00 0.00 173.10 176.04 2i96 n HIS 88 N 3.56 -2.45 -4.45 1.90 8.25 -1.26 -4.96 115.22 115.80 2i96 n HIS 88 Ca -0.18 0.61 -0.29 0.00 -0.26 0.00 0.00 57.72 57.60 2i96 n HIS 88 Cb 0.56 -1.11 -0.04 0.00 1.12 0.00 0.00 29.99 30.52 2i96 n HIS 88 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2i96 n SER 89 N -2.04 3.12 -4.20 0.41 7.64 -1.26 -5.01 113.62 112.28 2i96 n SER 89 Ca 0.00 -2.99 -0.33 0.00 1.01 0.00 0.00 58.87 56.56 2i96 n SER 89 Cb 0.22 0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 2i96 n SER 89 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2i96 n THR 90 N -1.34 1.66 0.10 0.44 -1.04 -1.26 -3.21 114.28 109.62 2i96 n THR 90 Ca -0.14 -1.63 0.00 0.00 -2.04 0.00 0.00 64.05 60.24 2i96 n THR 90 Cb 0.60 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 2i96 n THR 90 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2i96 n ASP 91 N 12.13 -1.16 -2.72 8.00 2.03 -1.26 -4.89 116.55 128.68 2i96 n ASP 91 Ca 0.46 0.36 -0.17 0.00 0.52 0.00 0.00 54.79 55.96 2i96 n ASP 91 Cb 0.44 1.27 -0.06 0.00 -0.72 0.00 0.00 41.12 42.04 2i96 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i96 n ALA 92 N -2.98 5.00 0.00 -1.67 0.00 -1.20 -0.80 120.51 118.86 2i96 n ALA 92 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 2i96 n ALA 92 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 16.74 2i96 n ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i96 n ARG 93 N 3.40 0.00 -0.06 0.00 0.63 -1.26 -4.76 116.66 114.61 2i96 n ARG 93 Ca 0.41 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.28 2i96 n ARG 93 Cb 0.37 -0.31 -0.10 0.00 0.45 0.00 0.00 32.46 32.87 2i96 n ARG 93 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2i96 n GLU 94 N -1.42 1.81 0.04 -0.14 -0.58 -0.50 -4.51 120.64 115.35 2i96 n GLU 94 Ca 0.00 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2i96 n GLU 94 Cb 0.00 -1.33 -0.13 0.00 -0.57 0.00 0.00 31.44 29.41 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2i96 h MET 95 N 0.00 0.07 -0.00 3.49 4.05 -1.31 -3.35 114.93 117.88 2i96 h MET 95 Ca -0.35 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2i96 h MET 95 Cb 1.79 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.63 2i96 h MET 95 CO 0.01 0.90 -0.00 -1.13 0.23 0.00 0.00 176.91 176.92 2i96 n SER 96 N -3.30 0.01 -0.02 1.39 3.41 -1.26 -4.00 113.62 109.85 2i96 n SER 96 Ca -0.09 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 2i96 n SER 96 Cb 1.00 -0.31 0.52 0.00 -0.26 0.00 0.00 64.21 65.16 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 0.01 0.34 -0.01 4.33 1.79 -1.81 0.82 116.57 122.03 2i96 h LYS 97 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2i96 h LYS 97 Cb 0.32 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2i96 h LYS 97 CO 0.00 0.22 -0.11 0.25 -1.08 0.00 0.00 179.45 178.74 2i96 n THR 98 N -4.47 0.00 0.17 -0.16 -2.24 -1.26 -3.20 114.28 103.12 2i96 n THR 98 Ca 0.07 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 2i96 n THR 98 Cb 0.30 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.74 0.39 -2.33 4.78 3.72 0.27 -4.73 117.46 118.82 2i96 n PHE 99 Ca 0.16 0.11 -0.36 0.00 -0.05 0.00 0.00 57.45 57.31 2i96 n PHE 99 Cb 0.28 -0.63 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 -3.39 3.81 0.26 4.37 1.01 -1.18 -2.29 121.20 123.79 2i96 s ILE 100 Ca -0.03 -1.25 0.09 0.00 0.00 0.00 0.00 60.65 59.46 2i96 s ILE 100 Cb 0.13 -4.83 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 2i96 s ILE 100 CO 0.85 -1.52 1.58 0.16 0.00 0.00 0.00 174.94 176.01 2i96 h ILE 101 N 6.12 1.45 -0.86 2.92 3.07 -1.65 -3.48 117.51 125.07 2i96 h ILE 101 Ca 0.30 -2.19 0.00 0.00 1.55 0.00 0.00 64.86 64.52 2i96 h ILE 101 Cb 0.93 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.65 2i96 h ILE 101 CO 1.34 0.63 0.00 0.61 -1.05 0.00 0.00 178.15 179.68 2i96 n GLY 102 N 0.33 0.87 0.00 0.16 0.00 -1.22 -4.92 105.19 100.42 2i96 n GLY 102 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 2.55 -3.77 1.61 1.02 -0.51 -0.82 120.64 120.72 2i96 n GLU 103 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2i96 n GLU 103 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 4.14 0.75 -4.62 1.43 -1.12 -0.13 118.68 119.13 2i96 s LEU 104 Ca 0.00 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2i96 s LEU 104 Cb 0.00 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.49 2i96 s LEU 104 CO 0.00 -0.22 1.14 -1.00 0.23 0.00 0.00 176.35 176.51 2i96 s HIS 105 N -2.07 2.25 0.29 0.29 3.76 -0.24 -4.33 115.29 115.24 2i96 s HIS 105 Ca 0.38 1.61 0.20 0.00 -0.15 0.00 0.00 55.06 57.10 2i96 s HIS 105 Cb -0.09 -3.27 1.02 0.00 1.11 0.00 0.00 32.58 31.34 2i96 s HIS 105 CO 0.30 -2.21 1.11 -2.30 -0.85 0.00 0.00 174.74 170.79 2i96 n PRO 106 N -3.06 -0.03 -0.03 8.40 -0.02 -1.26 0.76 135.00 139.76 2i96 n PRO 106 Ca 0.11 0.93 -0.16 0.00 -2.02 0.00 0.00 63.50 62.36 2i96 n PRO 106 Cb 0.52 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.18 1.45 2.55 1.82 -1.97 -3.30 116.42 117.15 2i96 h ASP 107 Ca 0.62 -0.93 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 2i96 h ASP 107 Cb 1.84 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.79 2i96 h ASP 107 CO -0.42 1.09 -0.16 0.44 -1.61 0.00 0.00 179.24 178.58 2i96 h ASP 108 N -0.71 0.00 -0.16 2.28 3.32 -0.99 -2.89 116.42 117.27 2i96 h ASP 108 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2i96 h ASP 108 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2i96 h ASP 108 CO 0.05 0.16 0.07 -0.09 -1.72 0.00 0.00 179.24 177.71 2i96 h ARG 109 N 0.00 0.23 0.11 3.56 1.12 0.26 -3.12 114.38 116.54 2i96 h ARG 109 Ca -0.00 -0.04 -0.30 0.00 -1.11 0.00 0.00 59.98 58.53 2i96 h ARG 109 Cb 0.93 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 2i96 h ARG 109 CO 0.02 0.31 -1.58 -1.00 -3.11 0.00 0.00 179.97 174.61 2i96 h PRO 110 N 0.11 0.23 0.00 0.20 0.14 -1.73 -3.46 132.00 127.49 2i96 h PRO 110 Ca 0.05 -0.40 0.00 0.00 0.14 0.00 0.00 66.00 65.80 2i96 h PRO 110 Cb 0.16 0.15 0.00 0.00 0.14 0.00 0.00 31.00 31.44 2i96 h PRO 110 CO -0.01 1.19 0.00 1.17 0.14 0.00 0.00 178.00 180.49 2i96 n LYS 111 N -3.84 0.00 -0.20 0.86 3.00 -1.09 -0.34 118.16 116.55 2i96 n LYS 111 Ca -0.28 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.06 2i96 n LYS 111 Cb 0.93 0.00 0.29 0.00 0.00 0.00 0.00 35.03 36.25 2i96 n LYS 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2i96 h LEU 112 N 0.00 0.77 0.00 3.14 5.85 -1.90 -1.73 115.31 121.44 2i96 h LEU 112 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2i96 h LEU 112 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2i96 h LEU 112 CO 0.00 0.54 -0.94 -1.13 -0.34 0.00 0.00 178.44 176.57 2i96 h ASN 113 N 0.90 0.00 -1.92 1.25 -1.24 -1.06 -3.40 115.58 110.10 2i96 h ASN 113 Ca 0.29 -0.04 -0.38 0.00 0.71 0.00 0.00 56.30 56.87 2i96 h ASN 113 Cb 0.04 0.00 -0.31 0.00 0.73 0.00 0.00 38.32 38.78 2i96 h ASN 113 CO -0.08 0.02 -0.71 -0.75 -1.29 0.00 0.00 177.43 174.62 2i96 s LYS 114 N -3.33 0.72 0.20 6.67 2.20 -1.07 -5.06 119.74 120.06 2i96 s LYS 114 Ca 0.01 -1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 54.25 2i96 s LYS 114 Cb 0.10 -0.77 -0.08 0.00 -1.51 0.00 0.00 37.83 35.57 2i96 s LYS 114 CO 0.78 -1.24 1.19 -1.25 -0.36 0.00 0.00 175.35 174.47 2i96 s PRO 115 N 1.17 4.50 0.51 4.03 0.04 -0.67 -3.66 135.00 140.91 2i96 s PRO 115 Ca 0.20 1.87 0.19 0.00 0.04 0.00 0.00 61.00 63.31 2i96 s PRO 115 Cb -0.12 -3.23 1.27 0.00 0.04 0.00 0.00 34.50 32.46 2i96 s PRO 115 CO -0.05 -0.06 2.06 -1.00 0.04 0.00 0.00 177.00 177.99 2i96 h PRO 116 N 5.09 0.09 -2.22 0.56 0.13 -1.89 -3.46 132.00 130.30 2i96 h PRO 116 Ca -0.45 -0.01 0.21 0.00 -0.87 0.00 0.00 66.00 64.89 2i96 h PRO 116 Cb 1.21 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2i96 h PRO 116 CO 0.74 0.06 0.60 -2.00 -0.23 0.00 0.00 178.00 177.16 2i96 s GLU 117 N -5.12 1.05 0.39 0.86 2.12 -1.26 -5.15 118.70 111.60 2i96 s GLU 117 Ca -0.06 -0.62 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 2i96 s GLU 117 Cb 0.18 0.33 -0.09 0.00 0.26 0.00 0.00 34.13 34.82 2i96 s GLU 117 CO 0.71 -0.49 1.27 0.95 -0.54 0.00 0.00 175.26 177.17 2i96 s THR 118 N -2.75 2.74 0.00 -1.70 -4.23 -1.26 -5.02 115.64 103.43 2i96 s THR 118 Ca 0.16 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2i96 s THR 118 Cb -0.01 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.44 2i96 s THR 118 CO 0.02 0.10 0.00 0.18 -0.54 0.00 0.00 174.62 174.38 2i96 n LEU 119 N 0.21 0.00 0.00 4.79 4.77 -1.26 -5.16 117.00 120.35 2i96 n LEU 119 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2i96 n LEU 119 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2i96 n LEU 119 CO 0.55 0.00 0.00 2.30 -1.33 0.00 0.00 177.39 178.91 2i96 n ILE 120 N 0.00 0.00 -1.67 -0.08 -6.64 -1.26 -5.14 119.36 104.56 2i96 n ILE 120 Ca 0.00 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.59 2i96 n ILE 120 Cb 0.00 0.00 0.04 0.00 -1.44 0.00 0.00 39.64 38.24 2i96 n ILE 120 CO 0.00 0.00 0.00 0.41 -1.77 0.00 0.00 176.55 175.19 2i96 n THR 121 N 0.00 3.64 -4.68 7.28 -1.04 -1.26 -5.03 114.28 113.19 2i96 n THR 121 Ca 0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.24 2i96 n THR 121 Cb 0.00 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 66.98 2i96 n THR 121 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2i96 s THR 122 N -1.38 1.84 -0.02 12.58 -1.32 -1.26 -5.14 115.64 120.94 2i96 s THR 122 Ca 0.73 -1.31 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 2i96 s THR 122 Cb -0.44 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 2i96 s THR 122 CO 0.49 0.23 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.41 2i96 s ILE 123 N -0.84 0.79 0.07 5.08 1.09 -1.26 -5.05 121.20 121.07 2i96 s ILE 123 Ca 0.09 -0.38 -0.24 0.00 -1.10 0.00 0.00 60.65 59.03 2i96 s ILE 123 Cb -0.09 -0.69 -0.10 0.00 -1.06 0.00 0.00 42.46 40.51 2i96 s ILE 123 CO 0.02 0.24 1.37 0.44 -0.10 0.00 0.00 174.94 176.92 2i96 h ASP 124 N 6.28 -1.03 0.00 3.58 5.19 -2.06 -3.46 116.42 124.92 2i96 h ASP 124 Ca -0.33 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2i96 h ASP 124 Cb 1.17 0.37 0.00 0.00 0.18 0.00 0.00 39.33 41.05 2i96 h ASP 124 CO 0.49 -0.40 0.00 -1.20 -3.12 0.00 0.00 179.24 175.01 2i96 n SER 125 N -4.48 -2.41 0.00 6.45 7.64 -1.26 -5.11 113.62 114.45 2i96 n SER 125 Ca -0.07 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2i96 n SER 125 Cb 0.29 2.40 0.00 0.00 -1.01 0.00 0.00 64.21 65.89 2i96 n SER 125 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2i96 n SER 126 N -3.15 0.00 -3.28 6.43 2.88 -1.26 -5.00 113.62 110.25 2i96 n SER 126 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2i96 n SER 126 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2i96 n SER 126 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2i96 n SER 127 N -0.04 4.75 -0.61 -3.46 3.41 -1.26 -5.16 113.62 111.25 2i96 n SER 127 Ca 0.00 -3.58 0.08 0.00 -0.26 0.00 0.00 58.87 55.10 2i96 n SER 127 Cb 0.00 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 63.28 2i96 n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34