#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 1.74 -3.00 3.04 0.00 -1.26 -5.16 120.51 115.87 2i96 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i96 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i96 n ALA 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i96 n GLU 23 N -1.54 2.99 -3.84 0.00 -0.58 -1.26 -5.14 120.64 111.27 2i96 n GLU 23 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2i96 n GLU 23 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 2i96 n GLU 23 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2i96 s GLN 24 N 1.32 3.38 -0.92 3.49 -0.21 -1.26 -4.59 119.66 120.86 2i96 s GLN 24 Ca 0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 54.71 2i96 s GLN 24 Cb 0.00 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 2i96 s GLN 24 CO 0.00 -0.25 0.79 0.45 -2.12 0.00 0.00 175.29 174.17 2i96 n SER 25 N 4.84 -4.54 -0.75 5.90 2.88 -1.26 -4.79 113.62 115.91 2i96 n SER 25 Ca -0.17 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 2i96 n SER 25 Cb 0.50 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 2i96 n SER 25 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2i96 n ASP 26 N -2.89 -5.19 -0.02 -3.46 2.03 -1.26 -4.06 116.55 101.71 2i96 n ASP 26 Ca -0.12 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.03 2i96 n ASP 26 Cb 0.62 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.91 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2i96 h GLU 27 N 0.00 0.33 -3.42 -0.67 4.39 -1.95 -3.44 114.58 109.82 2i96 h GLU 27 Ca 0.00 -0.32 -0.55 0.00 0.34 0.00 0.00 59.36 58.83 2i96 h GLU 27 Cb 0.00 0.08 -0.40 0.00 -0.10 0.00 0.00 28.75 28.33 2i96 h GLU 27 CO 0.00 0.99 -0.76 0.00 -1.16 0.00 0.00 179.01 178.08 2i96 s ALA 28 N -3.35 1.21 0.07 3.43 0.00 -1.26 -5.02 121.76 116.85 2i96 s ALA 28 Ca -0.14 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 2i96 s ALA 28 Cb 0.03 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.64 2i96 s ALA 28 CO 0.78 -1.51 0.58 0.54 0.00 0.00 0.00 175.76 176.15 2i96 s VAL 29 N 1.78 4.75 -0.03 0.00 0.11 -1.26 -5.05 120.40 120.70 2i96 s VAL 29 Ca 0.06 1.24 -0.30 0.00 -2.93 0.00 0.00 61.98 60.05 2i96 s VAL 29 Cb -0.17 -3.91 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 2i96 s VAL 29 CO -0.22 0.54 1.03 -0.75 -3.33 0.00 0.00 175.10 172.36 2i96 s LYS 30 N -0.99 4.49 0.24 1.54 2.36 -1.26 -4.90 119.74 121.21 2i96 s LYS 30 Ca 0.29 1.47 0.03 0.00 -2.55 0.00 0.00 55.97 55.22 2i96 s LYS 30 Cb -0.19 -3.48 -0.03 0.00 -1.05 0.00 0.00 37.83 33.07 2i96 s LYS 30 CO 0.19 -0.18 0.38 0.71 1.55 0.00 0.00 175.35 177.99 2i96 s TYR 31 N 1.40 3.47 0.00 4.03 2.02 -1.26 -0.27 117.35 126.74 2i96 s TYR 31 Ca 0.52 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 2i96 s TYR 31 Cb -0.21 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2i96 s TYR 31 CO 0.25 0.40 0.00 0.66 -1.57 0.00 0.00 175.55 175.29 2i96 n TYR 32 N -1.25 0.00 -4.70 2.71 4.01 0.26 -4.85 117.16 113.34 2i96 n TYR 32 Ca -0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.33 2i96 n TYR 32 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.97 3.40 0.40 -0.72 -4.23 -1.26 0.08 115.64 112.34 2i96 s THR 33 Ca 0.00 -0.66 0.14 0.00 -1.18 0.00 0.00 61.69 59.99 2i96 s THR 33 Cb 0.00 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.81 2i96 s THR 33 CO 0.00 0.55 1.89 0.25 -0.54 0.00 0.00 174.62 176.77 2i96 h LEU 34 N 5.13 0.48 -0.48 4.79 5.85 -1.95 -2.22 115.31 126.90 2i96 h LEU 34 Ca -0.48 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.37 2i96 h LEU 34 Cb 1.16 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 2i96 h LEU 34 CO 0.51 0.23 0.01 -0.33 -0.34 0.00 0.00 178.44 178.52 2i96 h GLU 35 N 0.50 0.12 0.01 1.25 5.08 -2.00 -2.69 114.58 116.84 2i96 h GLU 35 Ca 0.42 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.54 2i96 h GLU 35 Cb 0.89 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2i96 h GLU 35 CO -0.16 0.08 -1.13 1.05 -1.00 0.00 0.00 179.01 177.84 2i96 h GLU 36 N 0.12 0.02 0.00 2.33 4.11 -1.82 -2.98 114.58 116.37 2i96 h GLU 36 Ca 0.24 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.58 2i96 h GLU 36 Cb 0.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2i96 h GLU 36 CO -0.40 0.94 -0.24 0.82 0.07 0.00 0.00 179.01 180.21 2i96 h ILE 37 N 0.01 0.63 -0.00 -1.06 2.04 -1.39 -0.37 117.51 117.37 2i96 h ILE 37 Ca -0.06 -1.10 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 2i96 h ILE 37 Cb 1.83 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 2i96 h ILE 37 CO 0.13 0.23 -0.71 1.56 0.00 0.00 0.00 178.15 179.36 2i96 h GLN 38 N 0.00 0.02 -0.03 2.37 1.08 -1.40 -3.19 115.11 113.95 2i96 h GLN 38 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2i96 h GLN 38 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2i96 h GLN 38 CO 0.03 0.72 0.00 1.17 -0.95 0.00 0.00 178.83 179.80 2i96 n LYS 39 N -3.70 1.79 -0.34 1.46 4.81 -0.41 -3.77 118.16 117.99 2i96 n LYS 39 Ca -0.01 -1.15 0.08 0.00 -0.87 0.00 0.00 58.31 56.35 2i96 n LYS 39 Cb 0.69 -1.47 0.14 0.00 0.02 0.00 0.00 35.03 34.41 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 0.40 0.00 -1.14 5.64 8.25 -0.28 -4.76 115.22 123.32 2i96 n HIS 40 Ca 0.18 -1.05 -0.06 0.00 -0.26 0.00 0.00 57.72 56.53 2i96 n HIS 40 Cb 0.40 -0.17 0.26 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.12 4.13 -1.08 0.41 6.94 -1.24 0.48 115.26 123.79 2i96 n ASN 41 Ca 0.15 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.36 2i96 n ASN 41 Cb 0.69 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.52 0.00 0.42 -2.53 1.44 -0.80 -4.70 115.22 108.53 2i96 n HIS 42 Ca 0.40 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.91 2i96 n HIS 42 Cb 1.30 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 31.31 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 -1.24 0.14 4.39 4.64 -1.99 -3.06 113.55 116.44 2i96 h SER 43 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2i96 h SER 43 Cb 0.00 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2i96 h SER 43 CO 0.00 -0.75 0.00 0.29 -0.87 0.00 0.00 176.83 175.50 2i96 n LYS 44 N -5.62 0.15 -3.64 4.77 5.02 -1.26 -4.54 118.16 113.04 2i96 n LYS 44 Ca -0.15 0.60 -0.03 0.00 -2.02 0.00 0.00 58.31 56.71 2i96 n LYS 44 Cb 0.50 -1.95 -0.07 0.00 -0.02 0.00 0.00 35.03 33.49 2i96 n LYS 44 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2i96 s SER 45 N -4.09 -0.41 -0.32 4.39 0.15 -1.16 -5.08 113.70 107.18 2i96 s SER 45 Ca -0.01 0.69 0.04 0.00 0.70 0.00 0.00 55.95 57.36 2i96 s SER 45 Cb 0.07 1.03 0.09 0.00 -1.71 0.00 0.00 66.02 65.50 2i96 s SER 45 CO 0.24 -0.11 0.02 -0.89 1.20 0.00 0.00 173.24 173.69 2i96 s THR 46 N 0.97 2.21 0.35 6.45 2.01 -1.24 -1.91 115.64 124.50 2i96 s THR 46 Ca -0.05 -2.16 0.07 0.00 0.31 0.00 0.00 61.69 59.86 2i96 s THR 46 Cb -0.04 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2i96 s THR 46 CO -0.13 -0.47 0.46 0.26 -0.69 0.00 0.00 174.62 174.05 2i96 s TRP 47 N 0.97 3.02 0.32 4.92 0.52 0.18 -0.26 118.94 128.61 2i96 s TRP 47 Ca 0.06 -0.27 -0.18 0.00 0.02 0.00 0.00 56.10 55.74 2i96 s TRP 47 Cb -0.19 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.13 2i96 s TRP 47 CO -0.08 -0.05 0.72 -0.48 0.02 0.00 0.00 176.95 177.08 2i96 s LEU 48 N -4.17 -0.06 0.05 2.99 2.34 -0.96 -2.76 118.68 116.11 2i96 s LEU 48 Ca 0.46 -0.87 0.07 0.00 0.06 0.00 0.00 54.13 53.85 2i96 s LEU 48 Cb -0.09 2.65 -0.03 0.00 -0.56 0.00 0.00 46.19 48.16 2i96 s LEU 48 CO 0.31 -1.46 -0.20 -0.63 -1.06 0.00 0.00 176.35 173.31 2i96 s ILE 49 N -3.29 1.58 0.00 1.48 1.01 0.31 0.31 121.20 122.59 2i96 s ILE 49 Ca 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2i96 s ILE 49 Cb -0.05 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2i96 s ILE 49 CO 0.09 0.12 0.00 0.18 0.00 0.00 0.00 174.94 175.33 2i96 n LEU 50 N 1.70 0.00 0.00 2.97 4.77 -1.02 -0.16 117.00 125.26 2i96 n LEU 50 Ca -0.18 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2i96 n LEU 50 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2i96 n LEU 50 CO 0.23 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.70 2i96 n HIS 51 N -1.01 0.00 0.00 -1.77 8.25 -1.26 -4.30 115.22 115.14 2i96 n HIS 51 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2i96 n HIS 51 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -2.46 4.41 8.25 -1.26 -4.91 115.22 119.25 2i96 n HIS 52 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2i96 n HIS 52 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 4.41 0.19 -0.41 1.02 -1.26 -3.65 119.74 120.04 2i96 s LYS 53 Ca 0.00 1.71 -0.16 0.00 0.02 0.00 0.00 55.97 57.54 2i96 s LYS 53 Cb 0.00 -3.44 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 2i96 s LYS 53 CO 0.00 -0.32 0.63 0.54 -0.92 0.00 0.00 175.35 175.28 2i96 s VAL 54 N 1.52 4.75 0.42 3.17 0.11 0.10 -2.44 120.40 128.04 2i96 s VAL 54 Ca 0.57 0.97 0.03 0.00 -2.93 0.00 0.00 61.98 60.63 2i96 s VAL 54 Cb -0.27 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2i96 s VAL 54 CO 0.26 0.18 0.06 -0.31 -3.33 0.00 0.00 175.10 171.95 2i96 s TYR 55 N -1.55 1.96 0.01 1.54 1.51 0.15 -2.04 117.35 118.93 2i96 s TYR 55 Ca 0.42 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2i96 s TYR 55 Cb -0.15 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2i96 s TYR 55 CO 0.20 0.05 -0.07 0.34 -1.11 0.00 0.00 175.55 174.95 2i96 s ASP 56 N -3.68 0.84 0.00 2.29 -1.08 -1.22 -2.28 116.67 111.54 2i96 s ASP 56 Ca 0.22 -0.26 -0.03 0.00 -0.52 0.00 0.00 52.55 51.96 2i96 s ASP 56 Cb 0.05 -0.05 -0.01 0.00 -1.46 0.00 0.00 42.92 41.44 2i96 s ASP 56 CO 0.12 -0.00 -0.06 0.18 0.52 0.00 0.00 175.17 175.92 2i96 n LEU 57 N 2.45 0.76 0.00 -1.34 4.77 0.64 -4.95 117.00 119.33 2i96 n LEU 57 Ca -0.16 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2i96 n LEU 57 Cb 0.57 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2i96 n LEU 57 CO 0.24 -0.55 0.00 0.41 -1.33 0.00 0.00 177.39 176.16 2i96 n THR 58 N -3.22 0.00 0.02 -5.08 -1.04 -1.21 -0.10 114.28 103.65 2i96 n THR 58 Ca -0.03 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.95 2i96 n THR 58 Cb 0.10 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.81 2i96 n THR 58 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2i96 h LYS 59 N 0.00 0.46 -0.03 -2.82 1.57 -1.94 -3.29 116.57 110.51 2i96 h LYS 59 Ca 0.00 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2i96 h LYS 59 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2i96 h LYS 59 CO 0.00 0.69 0.05 0.35 -0.57 0.00 0.00 179.45 179.98 2i96 h PHE 60 N 0.40 0.00 -0.95 -1.35 3.57 -0.87 -2.94 116.94 114.80 2i96 h PHE 60 Ca 0.06 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.80 2i96 h PHE 60 Cb 0.69 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 2i96 h PHE 60 CO 0.02 0.00 0.65 -0.07 -2.23 0.00 0.00 178.31 176.68 2i96 h LEU 61 N 0.00 0.24 -0.47 0.59 3.38 -1.78 0.26 115.31 117.53 2i96 h LEU 61 Ca 0.01 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2i96 h LEU 61 Cb 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2i96 h LEU 61 CO -0.00 0.08 -0.63 -0.33 0.09 0.00 0.00 178.44 177.65 2i96 h GLU 62 N 0.23 0.49 0.00 1.13 4.39 -1.81 -3.37 114.58 115.64 2i96 h GLU 62 Ca 0.49 -0.35 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 2i96 h GLU 62 Cb 1.51 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.20 2i96 h GLU 62 CO -0.13 0.96 -1.94 -1.91 -1.16 0.00 0.00 179.01 174.83 2i96 n GLU 63 N -3.91 0.82 -2.05 2.33 4.07 -0.05 -4.93 120.64 116.92 2i96 n GLU 63 Ca -0.04 -0.11 -0.42 0.00 -0.06 0.00 0.00 57.16 56.53 2i96 n GLU 63 Cb 0.65 -1.43 -0.03 0.00 -0.06 0.00 0.00 31.44 30.58 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2i96 s HIS 64 N -2.93 2.23 0.08 4.31 2.46 -0.43 -4.94 115.29 116.07 2i96 s HIS 64 Ca -0.07 0.35 -0.29 0.00 0.47 0.00 0.00 55.06 55.52 2i96 s HIS 64 Cb 0.09 -3.86 -0.17 0.00 -0.13 0.00 0.00 32.58 28.50 2i96 s HIS 64 CO 0.72 -3.53 1.68 -1.35 -2.47 0.00 0.00 174.74 169.79 2i96 h PRO 65 N 9.01 -0.50 -2.27 2.88 0.11 -1.92 -3.36 132.00 135.96 2i96 h PRO 65 Ca -0.39 0.03 -0.76 0.00 0.11 0.00 0.00 66.00 65.00 2i96 h PRO 65 Cb 1.18 0.11 -0.31 0.00 0.11 0.00 0.00 31.00 32.10 2i96 h PRO 65 CO 0.94 -0.33 0.64 0.41 -0.21 0.00 0.00 178.00 179.45 2i96 n GLY 66 N -1.31 6.01 0.00 -0.55 0.00 -1.26 -4.67 105.19 103.40 2i96 n GLY 66 Ca -0.11 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.09 -0.51 0.18 -0.02 0.00 -1.26 -4.84 105.19 98.66 2i96 n GLY 67 Ca 0.43 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 2i96 n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2i96 h GLU 68 N 0.00 0.56 0.07 1.61 4.81 -1.79 -3.25 114.58 116.59 2i96 h GLU 68 Ca 0.00 -0.27 -0.37 0.00 -0.13 0.00 0.00 59.36 58.59 2i96 h GLU 68 Cb 0.00 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2i96 h GLU 68 CO 0.00 0.85 -2.15 -1.91 -0.73 0.00 0.00 179.01 175.07 2i96 n GLU 69 N -4.42 0.70 -0.04 1.92 4.07 -1.26 -4.48 120.64 117.13 2i96 n GLU 69 Ca -0.04 0.24 0.11 0.00 -0.06 0.00 0.00 57.16 57.41 2i96 n GLU 69 Cb 0.39 -1.63 0.49 0.00 -0.06 0.00 0.00 31.44 30.63 2i96 n GLU 69 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2i96 n VAL 70 N -3.50 0.11 0.09 6.31 0.24 -1.26 -2.73 118.33 117.58 2i96 n VAL 70 Ca -0.38 -0.23 -0.05 0.00 -2.04 0.00 0.00 64.34 61.64 2i96 n VAL 70 Cb 0.99 0.19 -0.01 0.00 -1.47 0.00 0.00 33.84 33.54 2i96 n VAL 70 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2i96 h LEU 71 N 1.61 0.00 -0.98 1.34 -0.00 -1.78 -3.34 115.31 112.16 2i96 h LEU 71 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.09 2i96 h LEU 71 Cb 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.90 2i96 h LEU 71 CO 0.00 0.85 0.56 0.03 -0.00 0.00 0.00 178.44 179.89 2i96 h ARG 72 N 0.00 0.64 -0.09 0.17 3.08 -1.79 0.44 114.38 116.83 2i96 h ARG 72 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2i96 h ARG 72 Cb 1.53 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 2i96 h ARG 72 CO 0.11 0.42 -0.08 0.93 -1.07 0.00 0.00 179.97 180.28 2i96 h GLU 73 N 0.66 0.13 -0.00 0.04 4.39 -1.79 -2.90 114.58 115.11 2i96 h GLU 73 Ca 0.59 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.26 2i96 h GLU 73 Cb 0.99 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2i96 h GLU 73 CO -0.42 0.22 -0.84 1.04 -1.16 0.00 0.00 179.01 177.85 2i96 n GLN 74 N -4.37 0.11 -2.88 2.33 1.13 0.10 -4.88 117.38 108.92 2i96 n GLN 74 Ca -0.01 -0.09 -0.40 0.00 -1.94 0.00 0.00 57.00 54.55 2i96 n GLN 74 Cb 0.20 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.01 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 -2.95 3.30 0.00 -1.58 0.00 -0.92 -4.06 121.76 115.56 2i96 s ALA 75 Ca 0.10 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2i96 s ALA 75 Cb 0.17 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2i96 s ALA 75 CO 0.80 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.95 2i96 n GLY 76 N 2.52 1.28 0.00 0.00 0.00 -1.11 -4.87 105.19 103.01 2i96 n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.90 3.67 -0.02 0.00 -1.26 -4.42 105.19 105.06 2i96 n GLY 77 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 2.00 6.61 -0.12 1.61 1.11 -1.24 -0.53 116.67 126.11 2i96 s ASP 78 Ca 0.00 2.39 0.16 0.00 0.18 0.00 0.00 52.55 55.28 2i96 s ASP 78 Cb 0.00 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 42.13 2i96 s ASP 78 CO 0.00 -0.94 1.58 0.00 1.18 0.00 0.00 175.17 176.99 2i96 n ALA 79 N 6.85 3.17 1.11 5.23 0.00 0.78 -4.65 120.51 133.00 2i96 n ALA 79 Ca 0.17 -1.50 0.09 0.00 0.00 0.00 0.00 53.44 52.21 2i96 n ALA 79 Cb 0.42 -1.04 0.54 0.00 0.00 0.00 0.00 19.45 19.37 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 0.97 0.11 0.42 0.00 5.66 -1.26 -3.36 114.28 116.82 2i96 n THR 80 Ca 0.24 0.03 -0.17 0.00 -3.05 0.00 0.00 64.05 61.10 2i96 n THR 80 Cb 0.88 -0.73 -0.08 0.00 -1.55 0.00 0.00 70.33 68.85 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 -1.06 -0.56 1.09 4.81 -1.93 -2.80 114.58 114.14 2i96 h GLU 81 Ca 0.00 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2i96 h GLU 81 Cb 0.04 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2i96 h GLU 81 CO 0.00 -0.70 0.37 -0.91 -0.73 0.00 0.00 179.01 177.04 2i96 h ASN 82 N -1.28 0.45 -0.64 1.04 4.21 -1.93 -1.48 115.58 115.96 2i96 h ASN 82 Ca -0.11 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 2i96 h ASN 82 Cb 0.84 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.91 2i96 h ASN 82 CO 0.18 0.29 0.36 0.15 -1.29 0.00 0.00 177.43 177.12 2i96 h PHE 83 N 0.51 0.89 0.00 1.19 3.57 -1.68 0.13 116.94 121.55 2i96 h PHE 83 Ca 0.24 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.54 2i96 h PHE 83 Cb 0.30 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2i96 h PHE 83 CO -0.00 0.62 -1.12 0.93 -2.23 0.00 0.00 178.31 176.52 2i96 h GLU 84 N 0.92 0.00 0.08 1.11 4.39 -1.00 -3.26 114.58 116.82 2i96 h GLU 84 Ca 0.23 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.58 2i96 h GLU 84 Cb 0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2i96 h GLU 84 CO -0.04 0.56 -1.95 -3.47 -1.16 0.00 0.00 179.01 172.95 2i96 n ASP 85 N -3.12 2.06 -3.89 1.42 2.03 -1.07 -4.67 116.55 109.30 2i96 n ASP 85 Ca -0.05 0.21 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 2i96 n ASP 85 Cb 0.87 -0.83 -0.15 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.52 1.78 0.32 5.18 1.01 0.02 -5.10 120.40 121.09 2i96 s VAL 86 Ca -0.26 -2.18 -0.28 0.00 0.00 0.00 0.00 61.98 59.26 2i96 s VAL 86 Cb 0.07 -2.31 -0.13 0.00 0.00 0.00 0.00 36.38 34.02 2i96 s VAL 86 CO 0.71 -0.68 1.23 0.61 0.00 0.00 0.00 175.10 176.97 2i96 n GLY 87 N 4.24 0.40 3.69 4.51 0.00 -1.23 -4.32 105.19 112.48 2i96 n GLY 87 Ca 0.03 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 2i96 n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2i96 s HIS 88 N -1.00 2.18 -0.07 1.61 2.46 -1.26 -4.89 115.29 114.32 2i96 s HIS 88 Ca 0.57 1.08 0.00 0.00 0.47 0.00 0.00 55.06 57.18 2i96 s HIS 88 Cb -0.61 -3.23 0.07 0.00 -0.13 0.00 0.00 32.58 28.68 2i96 s HIS 88 CO 0.61 -2.72 1.53 0.45 -2.47 0.00 0.00 174.74 172.13 2i96 n SER 89 N -4.07 4.27 0.00 9.88 2.88 -1.26 -4.77 113.62 120.55 2i96 n SER 89 Ca 0.06 -2.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.22 2i96 n SER 89 Cb 0.57 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2i96 n SER 89 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2i96 n THR 90 N 0.71 0.00 0.41 2.46 -1.04 -1.26 -4.80 114.28 110.75 2i96 n THR 90 Ca 0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.90 2i96 n THR 90 Cb 0.59 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.01 2i96 n THR 90 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2i96 h ASP 91 N 0.00 -0.86 0.00 8.00 3.32 -1.98 -2.31 116.42 122.59 2i96 h ASP 91 Ca 0.00 0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.51 2i96 h ASP 91 Cb 0.00 0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.79 2i96 h ASP 91 CO 0.00 -0.60 3.02 0.00 -1.72 0.00 0.00 179.24 179.94 2i96 n ALA 92 N -2.54 5.47 0.00 3.45 0.00 -1.26 -0.50 120.51 125.13 2i96 n ALA 92 Ca -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.32 2i96 n ALA 92 Cb 0.41 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 4.79 0.00 -0.01 0.00 0.63 -1.16 -4.94 116.66 115.98 2i96 n ARG 93 Ca 0.57 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.45 2i96 n ARG 93 Cb 0.25 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.14 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 -1.47 0.13 0.15 -0.14 -0.58 -0.84 -4.77 120.64 113.13 2i96 n GLU 94 Ca 0.00 0.06 0.02 0.00 -0.42 0.00 0.00 57.16 56.81 2i96 n GLU 94 Cb 0.00 -0.73 0.19 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.23 0.00 0.00 3.49 4.05 -0.97 -3.19 114.93 118.08 2i96 h MET 95 Ca -0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2i96 h MET 95 Cb 0.69 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2i96 h MET 95 CO -0.05 0.54 0.00 -1.13 0.23 0.00 0.00 176.91 176.50 2i96 n SER 96 N -3.55 0.13 0.32 1.39 3.41 -0.62 -4.01 113.62 110.69 2i96 n SER 96 Ca -0.00 0.52 0.20 0.00 -0.26 0.00 0.00 58.87 59.33 2i96 n SER 96 Cb 0.62 -0.55 1.09 0.00 -0.26 0.00 0.00 64.21 65.12 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 0.00 -0.01 4.33 1.57 -1.84 0.35 116.57 120.97 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 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2i96 h LYS 97 CO 0.00 0.00 -0.25 0.25 -0.57 0.00 0.00 179.45 178.88 2i96 n THR 98 N -3.19 0.00 0.73 -0.16 -2.24 -1.26 -3.45 114.28 104.72 2i96 n THR 98 Ca -0.02 -0.15 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 2i96 n THR 98 Cb 0.14 0.46 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.54 0.14 -2.24 4.78 3.72 0.12 -4.81 117.46 118.64 2i96 n PHE 99 Ca 0.13 0.04 -0.34 0.00 -0.05 0.00 0.00 57.45 57.23 2i96 n PHE 99 Cb 0.36 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 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 -3.12 3.59 -0.06 4.37 1.01 -1.20 -3.37 121.20 122.42 2i96 s ILE 100 Ca 0.06 -0.32 0.31 0.00 0.00 0.00 0.00 60.65 60.70 2i96 s ILE 100 Cb 0.15 -4.38 0.36 0.00 0.01 0.00 0.00 42.46 38.61 2i96 s ILE 100 CO 0.80 -1.30 1.91 0.16 0.00 0.00 0.00 174.94 176.50 2i96 h ILE 101 N 6.96 0.00 0.00 2.92 3.07 -1.72 -3.49 117.51 125.25 2i96 h ILE 101 Ca 0.03 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.96 2i96 h ILE 101 Cb 1.04 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 2i96 h ILE 101 CO 1.28 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.99 2i96 n GLY 102 N 0.12 -0.33 0.00 0.16 0.00 -1.23 -4.75 105.19 99.16 2i96 n GLY 102 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.99 -2.11 1.61 1.02 0.63 0.02 120.64 122.81 2i96 n GLU 103 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2i96 n GLU 103 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 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 2.73 0.86 -4.62 1.43 -1.24 -0.57 118.68 117.27 2i96 s LEU 104 Ca 0.00 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.39 2i96 s LEU 104 Cb 0.00 -2.87 0.06 0.00 0.03 0.00 0.00 46.19 43.41 2i96 s LEU 104 CO 0.00 -1.94 0.84 1.57 0.23 0.00 0.00 176.35 177.05 2i96 n HIS 105 N -3.19 0.03 -0.50 0.29 -0.00 0.11 -4.03 115.22 107.93 2i96 n HIS 105 Ca 0.10 0.34 0.41 0.00 0.46 0.00 0.00 57.72 59.04 2i96 n HIS 105 Cb 0.60 -1.96 0.73 0.00 -0.12 0.00 0.00 29.99 29.25 2i96 n HIS 105 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2i96 h PRO 106 N -1.25 0.05 0.11 1.57 0.13 -1.96 0.26 132.00 130.91 2i96 h PRO 106 Ca -0.45 -0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 2i96 h PRO 106 Cb 1.29 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2i96 h PRO 106 CO 0.41 0.04 -1.24 -0.44 -0.23 0.00 0.00 178.00 176.54 2i96 h ASP 107 N 0.05 0.37 0.43 1.44 5.19 -1.93 -3.37 116.42 118.60 2i96 h ASP 107 Ca 0.78 -0.40 -0.31 0.00 -0.62 0.00 0.00 57.03 56.48 2i96 h ASP 107 Cb 2.85 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 42.22 2i96 h ASP 107 CO -0.16 1.32 -1.65 0.44 -3.12 0.00 0.00 179.24 176.07 2i96 h ASP 108 N 0.06 0.25 -0.18 6.45 3.32 -0.98 -3.11 116.42 122.23 2i96 h ASP 108 Ca -0.13 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 2i96 h ASP 108 Cb 1.95 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 2i96 h ASP 108 CO 0.19 1.37 0.06 -0.09 -1.72 0.00 0.00 179.24 179.06 2i96 h ARG 109 N 0.04 0.28 0.00 3.56 2.43 -0.81 -2.96 114.38 116.92 2i96 h ARG 109 Ca -0.28 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 2i96 h ARG 109 Cb 2.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 2i96 h ARG 109 CO 0.12 0.37 -1.13 -1.00 -1.51 0.00 0.00 179.97 176.82 2i96 h PRO 110 N 0.13 0.00 0.00 0.20 0.13 -1.77 -3.48 132.00 127.21 2i96 h PRO 110 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2i96 h PRO 110 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2i96 h PRO 110 CO -0.00 0.12 0.00 1.63 -0.23 0.00 0.00 178.00 179.52 2i96 n LYS 111 N -2.78 0.00 0.00 0.86 5.02 -1.12 -4.80 118.16 115.34 2i96 n LYS 111 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2i96 n LYS 111 Cb 0.67 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 2i96 n LYS 111 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2i96 n LEU 112 N 0.00 0.00 -4.82 -0.35 7.94 -1.26 -4.96 117.00 113.55 2i96 n LEU 112 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 2i96 n LEU 112 Cb 0.00 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.14 2i96 n LEU 112 CO 0.00 0.00 0.78 0.21 -1.11 0.00 0.00 177.39 177.27 2i96 s ASN 113 N -0.29 2.70 0.36 1.96 3.84 -1.26 -4.97 114.94 117.29 2i96 s ASN 113 Ca 0.00 0.49 0.08 0.00 0.21 0.00 0.00 52.86 53.63 2i96 s ASN 113 Cb 0.00 -0.68 -0.02 0.00 -0.55 0.00 0.00 41.25 39.99 2i96 s ASN 113 CO 0.00 -3.01 0.32 -0.54 -2.79 0.00 0.00 177.10 171.09 2i96 s LYS 114 N -5.67 2.66 -0.12 0.43 1.02 -1.26 -4.89 119.74 111.91 2i96 s LYS 114 Ca 0.71 -1.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 2i96 s LYS 114 Cb -0.07 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2i96 s LYS 114 CO 0.53 -0.00 2.10 -2.30 -0.92 0.00 0.00 175.35 174.76 2i96 n PRO 115 N -1.44 2.25 -0.23 -1.68 -0.02 -1.26 -4.86 135.00 127.77 2i96 n PRO 115 Ca 0.00 0.73 -0.06 0.00 -2.02 0.00 0.00 63.50 62.15 2i96 n PRO 115 Cb 0.60 -3.05 0.09 0.00 -0.02 0.00 0.00 33.50 31.12 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 12.75 1.08 -4.55 0.52 0.11 -2.05 -3.44 132.00 136.41 2i96 h PRO 116 Ca -0.44 -0.23 -0.23 0.00 0.11 0.00 0.00 66.00 65.21 2i96 h PRO 116 Cb 1.25 -0.16 -0.15 0.00 0.11 0.00 0.00 31.00 32.05 2i96 h PRO 116 CO 0.96 0.93 -0.63 -1.21 -0.21 0.00 0.00 178.00 177.84 2i96 s GLU 117 N -5.34 1.12 0.22 1.05 2.02 -1.26 -5.06 118.70 111.44 2i96 s GLU 117 Ca -0.12 -1.57 -0.09 0.00 0.02 0.00 0.00 54.97 53.21 2i96 s GLU 117 Cb 0.15 0.23 0.18 0.00 0.10 0.00 0.00 34.13 34.79 2i96 s GLU 117 CO 0.83 -0.34 1.88 0.00 0.02 0.00 0.00 175.26 177.65 2i96 h THR 118 N 2.69 1.22 0.00 3.63 1.03 -2.01 -3.40 112.91 116.08 2i96 h THR 118 Ca -0.36 -0.43 -0.16 0.00 -0.01 0.00 0.00 66.41 65.45 2i96 h THR 118 Cb 1.23 0.05 -0.12 0.00 -1.07 0.00 0.00 68.15 68.23 2i96 h THR 118 CO 0.55 0.22 -0.14 -0.11 -0.01 0.00 0.00 175.52 176.03 2i96 n LEU 119 N -4.49 -1.67 -4.07 0.00 7.94 -1.26 -5.02 117.00 108.43 2i96 n LEU 119 Ca 0.08 -2.69 -0.33 0.00 -1.11 0.00 0.00 56.01 51.96 2i96 n LEU 119 Cb 0.03 0.79 -0.00 0.00 0.53 0.00 0.00 43.42 44.76 2i96 n LEU 119 CO 0.37 1.71 0.00 -0.38 -1.11 0.00 0.00 177.39 177.98 2i96 n ILE 120 N 0.08 -1.68 0.00 1.96 5.41 -1.26 -3.02 119.36 120.85 2i96 n ILE 120 Ca -0.06 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.63 2i96 n ILE 120 Cb 0.74 -2.26 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 2i96 n ILE 120 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2i96 n THR 121 N -4.50 0.00 -4.24 1.39 -2.24 -1.26 -4.75 114.28 98.68 2i96 n THR 121 Ca 0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 2i96 n THR 121 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 2i96 n THR 121 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2i96 s THR 122 N 0.00 1.17 0.19 4.28 2.01 -1.17 -5.13 115.64 117.00 2i96 s THR 122 Ca 0.00 -1.23 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 2i96 s THR 122 Cb 0.00 -1.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 2i96 s THR 122 CO 0.00 -0.13 0.65 -0.51 -0.69 0.00 0.00 174.62 173.94 2i96 s ILE 123 N -1.13 4.69 0.00 1.82 2.07 -1.26 -5.00 121.20 122.38 2i96 s ILE 123 Ca -0.00 1.10 0.00 0.00 -1.41 0.00 0.00 60.65 60.34 2i96 s ILE 123 Cb -0.09 -3.81 0.00 0.00 0.13 0.00 0.00 42.46 38.69 2i96 s ILE 123 CO 0.02 0.23 0.53 -0.67 -1.91 0.00 0.00 174.94 173.14 2i96 n ASP 124 N 0.79 0.00 0.00 4.50 2.03 -1.26 -5.00 116.55 117.61 2i96 n ASP 124 Ca -0.04 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.89 2i96 n ASP 124 Cb 0.51 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2i96 n ASP 124 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2i96 n SER 125 N -1.34 0.30 -0.57 1.67 7.64 -1.26 -4.98 113.62 115.08 2i96 n SER 125 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2i96 n SER 125 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 1.28 -0.21 6.43 2.88 -1.26 -4.99 113.62 117.76 2i96 n SER 126 Ca 0.00 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 2i96 n SER 126 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2i96 n SER 126 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2i96 n SER 127 N 0.08 -3.13 0.00 -3.46 7.64 -1.26 -5.27 113.62 108.22 2i96 n SER 127 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2i96 n SER 127 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2i96 n SER 127 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79