#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 1.96 -0.17 -5.12 0.00 -1.26 -4.97 121.76 112.20 2i96 s ALA 22 Ca 0.00 -1.42 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 2i96 s ALA 22 Cb 0.00 -1.46 -0.18 0.00 0.00 0.00 0.00 23.12 21.48 2i96 s ALA 22 CO 0.00 -1.25 0.31 1.05 0.00 0.00 0.00 175.76 175.87 2i96 h GLU 23 N 7.95 0.00 0.00 0.00 4.11 -1.93 -3.47 114.58 121.24 2i96 h GLU 23 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2i96 h GLU 23 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2i96 h GLU 23 CO 0.42 0.80 0.00 0.94 0.07 0.00 0.00 179.01 181.24 2i96 n GLN 24 N -4.53 0.00 0.00 1.06 7.27 -1.26 -1.65 117.38 118.27 2i96 n GLN 24 Ca -0.20 0.00 0.01 0.00 0.07 0.00 0.00 57.00 56.87 2i96 n GLN 24 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2i96 n SER 25 N 1.72 0.75 -4.72 1.69 7.64 -1.26 -5.03 113.62 114.41 2i96 n SER 25 Ca 0.00 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.59 2i96 n SER 25 Cb 0.00 0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 2i96 n SER 25 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2i96 s ASP 26 N -0.45 7.33 0.11 6.43 -1.08 -0.66 -4.97 116.67 123.39 2i96 s ASP 26 Ca 0.01 1.60 -0.29 0.00 -0.52 0.00 0.00 52.55 53.35 2i96 s ASP 26 Cb 0.01 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.84 2i96 s ASP 26 CO 0.03 -0.16 1.60 -0.08 0.52 0.00 0.00 175.17 177.08 2i96 h GLU 27 N 6.38 -0.58 -5.93 4.34 4.81 -1.96 -3.35 114.58 118.29 2i96 h GLU 27 Ca -0.42 0.04 -0.49 0.00 -0.13 0.00 0.00 59.36 58.36 2i96 h GLU 27 Cb 1.21 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.64 2i96 h GLU 27 CO 0.74 -0.38 1.27 0.00 -0.73 0.00 0.00 179.01 179.90 2i96 s ALA 28 N -5.97 2.36 0.17 2.92 0.00 -1.26 -4.95 121.76 115.03 2i96 s ALA 28 Ca -0.16 -2.04 -0.34 0.00 0.00 0.00 0.00 51.96 49.42 2i96 s ALA 28 Cb 0.08 -4.55 -0.14 0.00 0.00 0.00 0.00 23.12 18.50 2i96 s ALA 28 CO 0.64 -4.07 1.49 0.28 0.00 0.00 0.00 175.76 174.10 2i96 n VAL 29 N 7.23 0.23 -2.17 0.00 0.31 -1.26 -4.94 118.33 117.73 2i96 n VAL 29 Ca 0.37 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 64.23 2i96 n VAL 29 Cb 0.49 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.01 2i96 n VAL 29 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2i96 s LYS 30 N 0.52 4.37 0.03 5.55 2.47 -1.26 -4.85 119.74 126.56 2i96 s LYS 30 Ca 0.77 2.11 0.04 0.00 -1.56 0.00 0.00 55.97 57.33 2i96 s LYS 30 Cb -0.72 -3.17 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 2i96 s LYS 30 CO 0.42 -0.27 -0.05 0.71 0.16 0.00 0.00 175.35 176.32 2i96 s TYR 31 N -0.03 2.90 -0.02 4.03 2.02 -1.26 -0.93 117.35 124.07 2i96 s TYR 31 Ca 0.56 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 57.27 2i96 s TYR 31 Cb -0.38 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2i96 s TYR 31 CO 0.40 0.41 -0.15 0.71 -1.57 0.00 0.00 175.55 175.35 2i96 s TYR 32 N -1.08 2.67 1.01 2.71 2.02 0.20 -4.75 117.35 120.13 2i96 s TYR 32 Ca 0.19 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 2i96 s TYR 32 Cb -0.11 -1.58 0.19 0.00 -0.40 0.00 0.00 41.96 40.06 2i96 s TYR 32 CO 0.10 0.21 1.09 0.95 -1.57 0.00 0.00 175.55 176.34 2i96 s THR 33 N -0.81 2.05 0.26 -0.71 -4.23 -1.26 0.39 115.64 111.33 2i96 s THR 33 Ca 0.13 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2i96 s THR 33 Cb -0.11 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.48 2i96 s THR 33 CO 0.02 -0.02 1.70 0.25 -0.54 0.00 0.00 174.62 176.03 2i96 h LEU 34 N -1.92 0.17 -0.90 4.79 6.46 -1.98 -2.52 115.31 119.41 2i96 h LEU 34 Ca -0.55 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.42 2i96 h LEU 34 Cb 1.33 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 41.35 2i96 h LEU 34 CO 0.58 0.01 0.57 -0.33 -0.62 0.00 0.00 178.44 178.64 2i96 h GLU 35 N 0.35 1.00 0.00 1.25 5.08 -1.98 0.44 114.58 120.72 2i96 h GLU 35 Ca 0.46 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.64 2i96 h GLU 35 Cb 0.79 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2i96 h GLU 35 CO -0.49 0.66 -0.55 0.93 -1.00 0.00 0.00 179.01 178.55 2i96 h GLU 36 N 1.03 0.00 0.03 2.33 5.08 -1.80 -3.14 114.58 118.11 2i96 h GLU 36 Ca 0.39 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.41 2i96 h GLU 36 Cb 0.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2i96 h GLU 36 CO -0.18 0.55 -2.08 -0.89 -1.00 0.00 0.00 179.01 175.42 2i96 n ILE 37 N -3.26 1.58 0.24 3.13 5.41 -0.86 -4.11 119.36 121.48 2i96 n ILE 37 Ca 0.02 -0.74 0.09 0.00 1.00 0.00 0.00 62.75 63.12 2i96 n ILE 37 Cb 0.74 -1.13 0.59 0.00 -0.71 0.00 0.00 39.64 39.14 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 0.02 0.00 -0.00 0.38 5.75 -0.23 -1.68 115.11 119.34 2i96 h GLN 38 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2i96 h GLN 38 Cb 2.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.61 2i96 h GLN 38 CO 0.04 0.19 -0.01 1.17 -2.65 0.00 0.00 178.83 177.57 2i96 n LYS 39 N -3.78 1.09 -2.50 1.69 4.81 -1.18 -3.81 118.16 114.48 2i96 n LYS 39 Ca -0.02 -0.25 -0.14 0.00 -0.87 0.00 0.00 58.31 57.03 2i96 n LYS 39 Cb 0.30 -1.49 0.03 0.00 0.02 0.00 0.00 35.03 33.88 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 -0.73 2.07 -1.13 5.64 8.25 -0.63 -4.79 115.22 123.89 2i96 n HIS 40 Ca 0.21 -2.47 0.07 0.00 -0.26 0.00 0.00 57.72 55.28 2i96 n HIS 40 Cb 0.19 -0.27 0.21 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.51 3.01 -3.19 0.41 6.94 -1.14 0.53 115.26 121.32 2i96 n ASN 41 Ca 0.24 -3.21 -0.15 0.00 -0.02 0.00 0.00 54.58 51.44 2i96 n ASN 41 Cb 0.83 -0.52 -0.04 0.00 -2.36 0.00 0.00 39.78 37.69 2i96 n ASN 41 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2i96 s HIS 42 N -2.94 1.09 0.11 -2.53 -3.43 -0.75 -4.63 115.29 102.22 2i96 s HIS 42 Ca 0.39 -1.32 -0.13 0.00 -0.80 0.00 0.00 55.06 53.20 2i96 s HIS 42 Cb 0.33 -0.09 0.06 0.00 -1.43 0.00 0.00 32.58 31.46 2i96 s HIS 42 CO 0.04 -1.15 0.88 0.43 -2.00 0.00 0.00 174.74 172.94 2i96 n SER 43 N -1.48 -0.46 0.11 7.38 7.64 -1.26 0.09 113.62 125.64 2i96 n SER 43 Ca 0.01 1.00 0.20 0.00 1.01 0.00 0.00 58.87 61.09 2i96 n SER 43 Cb 0.61 -0.19 0.76 0.00 -1.01 0.00 0.00 64.21 64.39 2i96 n SER 43 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2i96 h LYS 44 N 0.00 0.00 -1.04 1.43 1.57 -1.97 -3.42 116.57 113.15 2i96 h LYS 44 Ca 0.15 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.14 2i96 h LYS 44 Cb 0.30 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.27 2i96 h LYS 44 CO -0.55 0.00 0.80 0.45 -0.57 0.00 0.00 179.45 179.58 2i96 s SER 45 N -5.45 -0.04 -0.28 0.86 0.15 0.11 -5.08 113.70 103.98 2i96 s SER 45 Ca -0.04 0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 2i96 s SER 45 Cb 0.16 0.80 0.05 0.00 -1.71 0.00 0.00 66.02 65.32 2i96 s SER 45 CO 0.56 -0.01 -0.05 -0.89 1.20 0.00 0.00 173.24 174.05 2i96 s THR 46 N 0.80 2.67 0.38 6.45 2.01 -1.24 -1.81 115.64 124.89 2i96 s THR 46 Ca -0.05 -1.43 0.08 0.00 0.31 0.00 0.00 61.69 60.60 2i96 s THR 46 Cb -0.03 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 2i96 s THR 46 CO -0.11 -0.04 0.05 0.26 -0.69 0.00 0.00 174.62 174.10 2i96 s TRP 47 N 1.21 2.55 0.35 4.92 0.51 0.19 -1.17 118.94 127.49 2i96 s TRP 47 Ca -0.06 -0.55 -0.10 0.00 -2.12 0.00 0.00 56.10 53.27 2i96 s TRP 47 Cb -0.19 -1.70 0.03 0.00 -0.81 0.00 0.00 33.47 30.80 2i96 s TRP 47 CO -0.03 0.39 0.63 -0.48 -0.51 0.00 0.00 176.95 176.95 2i96 s LEU 48 N -3.76 0.45 -0.14 2.99 2.34 -1.21 -1.63 118.68 117.72 2i96 s LEU 48 Ca 0.36 -1.25 0.01 0.00 0.06 0.00 0.00 54.13 53.31 2i96 s LEU 48 Cb 0.04 2.16 0.02 0.00 -0.56 0.00 0.00 46.19 47.85 2i96 s LEU 48 CO 0.20 -1.46 -0.16 -0.63 -1.06 0.00 0.00 176.35 173.23 2i96 s ILE 49 N -2.84 1.70 -0.32 1.48 1.01 -1.26 -1.87 121.20 119.10 2i96 s ILE 49 Ca 0.22 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.17 2i96 s ILE 49 Cb -0.03 -1.56 0.09 0.00 0.01 0.00 0.00 42.46 40.97 2i96 s ILE 49 CO 0.15 0.48 0.03 -0.76 0.00 0.00 0.00 174.94 174.84 2i96 s LEU 50 N 1.23 4.11 -0.85 2.97 1.43 -0.26 -2.48 118.68 124.84 2i96 s LEU 50 Ca 0.00 -1.92 -0.02 0.00 -1.03 0.00 0.00 54.13 51.16 2i96 s LEU 50 Cb -0.14 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2i96 s LEU 50 CO -0.07 -0.35 0.77 1.41 0.23 0.00 0.00 176.35 178.34 2i96 n HIS 51 N 4.38 -2.78 0.00 0.29 8.25 -1.26 -3.14 115.22 120.97 2i96 n HIS 51 Ca -0.00 1.03 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 2i96 n HIS 51 Cb 0.42 -4.08 0.00 0.00 1.12 0.00 0.00 29.99 27.45 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 -2.31 0.00 -1.94 4.41 8.25 -1.26 -4.94 115.22 117.43 2i96 n HIS 52 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2i96 n HIS 52 Cb 0.54 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 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 4.22 -0.14 -0.41 -0.14 -1.19 -3.61 119.74 118.47 2i96 s LYS 53 Ca 0.00 2.42 -0.08 0.00 -1.36 0.00 0.00 55.97 56.95 2i96 s LYS 53 Cb 0.00 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.08 2i96 s LYS 53 CO 0.00 -0.40 0.13 0.54 -0.76 0.00 0.00 175.35 174.86 2i96 s VAL 54 N -0.94 5.46 0.28 3.17 0.11 -0.45 -1.10 120.40 126.93 2i96 s VAL 54 Ca 0.53 0.20 0.11 0.00 -2.93 0.00 0.00 61.98 59.88 2i96 s VAL 54 Cb -0.44 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2i96 s VAL 54 CO 0.56 0.57 -0.12 -0.31 -3.33 0.00 0.00 175.10 172.48 2i96 s TYR 55 N -0.67 2.44 -0.07 1.54 1.51 -0.78 -1.90 117.35 119.43 2i96 s TYR 55 Ca 0.13 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 2i96 s TYR 55 Cb -0.12 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 2i96 s TYR 55 CO 0.02 0.67 -0.21 0.34 -1.11 0.00 0.00 175.55 175.27 2i96 s ASP 56 N -3.58 3.40 -0.05 2.29 -1.08 -0.84 -3.29 116.67 113.52 2i96 s ASP 56 Ca 0.31 -0.42 0.07 0.00 -0.52 0.00 0.00 52.55 51.99 2i96 s ASP 56 Cb -0.05 -0.94 0.11 0.00 -1.46 0.00 0.00 42.92 40.58 2i96 s ASP 56 CO 0.17 0.26 0.99 0.18 0.52 0.00 0.00 175.17 177.28 2i96 n LEU 57 N 2.88 1.58 0.32 -1.34 7.99 -0.32 -4.84 117.00 123.27 2i96 n LEU 57 Ca -0.17 -1.98 0.22 0.00 -0.01 0.00 0.00 56.01 54.06 2i96 n LEU 57 Cb 0.52 -0.16 1.15 0.00 -0.11 0.00 0.00 43.42 44.83 2i96 n LEU 57 CO 0.26 0.47 1.15 0.74 -1.51 0.00 0.00 177.39 178.50 2i96 h THR 58 N 1.37 0.00 0.03 -5.08 2.02 -1.95 0.70 112.91 110.00 2i96 h THR 58 Ca 0.00 -0.01 -0.38 0.00 0.77 0.00 0.00 66.41 66.79 2i96 h THR 58 Cb 0.87 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 2i96 h THR 58 CO 0.00 0.00 -2.32 0.29 0.37 0.00 0.00 175.52 173.86 2i96 n LYS 59 N -2.99 0.68 0.14 6.66 5.02 -1.26 -4.62 118.16 121.78 2i96 n LYS 59 Ca -0.03 0.17 0.10 0.00 -2.02 0.00 0.00 58.31 56.53 2i96 n LYS 59 Cb 0.07 -1.58 0.52 0.00 -0.02 0.00 0.00 35.03 34.02 2i96 n LYS 59 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i96 n PHE 60 N -3.25 0.67 -0.24 2.13 7.35 0.23 -3.33 117.46 121.03 2i96 n PHE 60 Ca -0.40 0.33 0.24 0.00 -0.76 0.00 0.00 57.45 56.86 2i96 n PHE 60 Cb 1.03 -1.04 0.59 0.00 0.35 0.00 0.00 39.48 40.41 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 0.26 -0.83 -2.13 3.38 -1.51 0.19 115.31 114.67 2i96 h LEU 61 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2i96 h LEU 61 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2i96 h LEU 61 CO 0.00 0.09 -0.37 -1.84 0.09 0.00 0.00 178.44 176.41 2i96 n GLU 62 N -4.43 1.66 -0.00 1.13 0.28 -1.21 -4.40 120.64 113.67 2i96 n GLU 62 Ca 0.20 -0.77 0.02 0.00 -0.16 0.00 0.00 57.16 56.46 2i96 n GLU 62 Cb 0.84 -1.28 -0.03 0.00 1.43 0.00 0.00 31.44 32.40 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 -0.20 4.39 -3.10 3.44 1.02 -0.26 -4.97 120.64 120.97 2i96 n GLU 63 Ca 0.07 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 2i96 n GLU 63 Cb 0.34 -0.80 -0.05 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.62 3.60 0.24 -0.32 2.46 0.52 -4.98 115.29 115.20 2i96 s HIS 64 Ca 0.01 1.21 0.06 0.00 0.47 0.00 0.00 55.06 56.82 2i96 s HIS 64 Cb 0.03 -2.75 0.71 0.00 -0.13 0.00 0.00 32.58 30.45 2i96 s HIS 64 CO 0.19 0.15 1.15 -2.30 -2.47 0.00 0.00 174.74 171.46 2i96 n PRO 65 N 3.55 -0.05 -2.68 2.88 -0.02 -1.26 -4.62 135.00 132.79 2i96 n PRO 65 Ca -0.03 1.07 -0.22 0.00 -2.02 0.00 0.00 63.50 62.30 2i96 n PRO 65 Cb 0.51 -1.77 0.06 0.00 -0.02 0.00 0.00 33.50 32.29 2i96 n PRO 65 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2i96 s GLY 66 N -4.15 1.80 0.52 -1.23 0.00 -1.26 -5.08 107.32 97.92 2i96 s GLY 66 Ca -0.08 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 42.94 2i96 s GLY 66 CO 0.57 -1.17 0.93 -0.32 0.00 0.00 0.00 173.10 173.10 2i96 s GLY 67 N -4.56 1.83 0.26 0.20 0.00 -1.26 -4.93 107.32 98.86 2i96 s GLY 67 Ca 0.61 -0.08 -0.03 0.00 0.00 0.00 0.00 44.72 45.22 2i96 s GLY 67 CO 0.40 0.16 1.87 -2.09 0.00 0.00 0.00 173.10 173.44 2i96 h GLU 68 N 0.48 1.06 -0.79 2.90 4.22 -1.94 -3.13 114.58 117.38 2i96 h GLU 68 Ca -0.46 -0.06 0.06 0.00 0.08 0.00 0.00 59.36 58.98 2i96 h GLU 68 Cb 1.19 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 2i96 h GLU 68 CO 0.62 0.70 0.48 1.05 -2.18 0.00 0.00 179.01 179.68 2i96 h GLU 69 N 1.10 0.84 0.00 1.92 4.11 -1.97 -2.40 114.58 118.18 2i96 h GLU 69 Ca 0.42 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2i96 h GLU 69 Cb 0.19 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2i96 h GLU 69 CO -0.18 0.56 -0.55 1.55 0.07 0.00 0.00 179.01 180.46 2i96 n VAL 70 N -4.68 0.36 0.06 -1.06 3.14 -1.18 -3.18 118.33 111.78 2i96 n VAL 70 Ca 0.11 -0.26 -0.13 0.00 -2.96 0.00 0.00 64.34 61.11 2i96 n VAL 70 Cb 0.18 -0.16 -0.08 0.00 -1.06 0.00 0.00 33.84 32.73 2i96 n VAL 70 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2i96 h LEU 71 N 0.00 -0.07 -2.07 6.55 3.38 -1.47 -3.16 115.31 118.46 2i96 h LEU 71 Ca 0.00 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2i96 h LEU 71 Cb 0.73 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2i96 h LEU 71 CO 0.00 0.02 0.21 0.03 0.09 0.00 0.00 178.44 178.79 2i96 h ARG 72 N -0.15 0.00 -0.02 1.13 3.08 -1.50 0.12 114.38 117.03 2i96 h ARG 72 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2i96 h ARG 72 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2i96 h ARG 72 CO 0.01 0.00 -0.45 1.49 -1.07 0.00 0.00 179.97 179.95 2i96 h GLU 73 N 0.00 0.04 0.00 0.04 4.81 -1.64 -2.85 114.58 114.99 2i96 h GLU 73 Ca 0.12 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2i96 h GLU 73 Cb 0.54 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2i96 h GLU 73 CO -0.00 0.49 -1.96 1.04 -0.73 0.00 0.00 179.01 177.85 2i96 n GLN 74 N -4.00 0.86 -1.87 1.92 3.00 -0.85 -5.02 117.38 111.42 2i96 n GLN 74 Ca -0.02 -0.10 -0.36 0.00 -0.01 0.00 0.00 57.00 56.52 2i96 n GLN 74 Cb 0.48 -1.43 0.05 0.00 0.00 0.00 0.00 30.24 29.34 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2i96 s ALA 75 N -2.88 2.45 0.00 -1.58 0.00 0.34 -4.03 121.76 116.07 2i96 s ALA 75 Ca -0.07 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2i96 s ALA 75 Cb 0.09 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2i96 s ALA 75 CO 0.72 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2i96 n GLY 76 N 0.64 1.40 0.00 0.00 0.00 -0.65 -4.82 105.19 101.75 2i96 n GLY 76 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 2.91 4.13 -0.02 0.00 -1.26 -4.24 105.19 106.72 2i96 n GLY 77 Ca 0.00 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.56 -2.41 1.61 2.03 -1.21 -4.49 116.55 108.52 2i96 n ASP 78 Ca 0.00 -0.95 -0.26 0.00 0.52 0.00 0.00 54.79 54.10 2i96 n ASP 78 Cb 0.00 -3.06 0.01 0.00 -0.72 0.00 0.00 41.12 37.34 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 -4.46 4.97 1.16 -1.67 0.00 -1.03 -4.77 120.51 114.71 2i96 n ALA 79 Ca 0.05 -4.17 0.12 0.00 0.00 0.00 0.00 53.44 49.44 2i96 n ALA 79 Cb 0.51 -0.52 0.37 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.51 0.17 0.27 0.00 5.66 -1.26 -4.27 114.28 114.35 2i96 n THR 80 Ca 0.38 -0.39 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 2i96 n THR 80 Cb 0.72 0.60 -0.08 0.00 -1.55 0.00 0.00 70.33 70.02 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 2.80 -0.76 -0.98 1.09 4.81 -1.95 -1.89 114.58 117.71 2i96 h GLU 81 Ca 0.00 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.50 2i96 h GLU 81 Cb 0.61 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.07 2i96 h GLU 81 CO 0.00 -0.50 0.63 -0.97 -0.73 0.00 0.00 179.01 177.43 2i96 h ASN 82 N -0.78 0.52 0.57 1.04 -0.73 -1.99 0.33 115.58 114.54 2i96 h ASN 82 Ca -0.05 0.07 -0.14 0.00 1.87 0.00 0.00 56.30 58.05 2i96 h ASN 82 Cb 0.66 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 2i96 h ASN 82 CO 0.01 0.17 -0.63 0.15 -0.37 0.00 0.00 177.43 176.76 2i96 h PHE 83 N 0.50 0.07 0.14 0.67 3.57 -1.66 -2.88 116.94 117.35 2i96 h PHE 83 Ca 0.54 -0.03 -0.36 0.00 3.53 0.00 0.00 57.97 61.65 2i96 h PHE 83 Cb 1.20 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2i96 h PHE 83 CO -0.00 0.67 -1.93 0.93 -2.23 0.00 0.00 178.31 175.75 2i96 h GLU 84 N 0.04 0.30 0.23 1.11 4.39 -0.31 -3.33 114.58 117.01 2i96 h GLU 84 Ca -0.01 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 2i96 h GLU 84 Cb 1.13 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2i96 h GLU 84 CO 0.09 1.24 -0.11 0.22 -1.16 0.00 0.00 179.01 179.29 2i96 h ASP 85 N 0.08 -0.26 0.00 1.42 3.58 -0.43 -3.38 116.42 117.44 2i96 h ASP 85 Ca -0.40 -0.16 -0.33 0.00 0.42 0.00 0.00 57.03 56.55 2i96 h ASP 85 Cb 2.05 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 43.11 2i96 h ASP 85 CO 0.11 0.26 -2.26 0.55 -2.88 0.00 0.00 179.24 175.02 2i96 n VAL 86 N -4.97 1.26 0.00 2.25 3.14 -1.11 -5.08 118.33 113.82 2i96 n VAL 86 Ca -0.06 -0.78 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 2i96 n VAL 86 Cb 0.21 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 2i96 n VAL 86 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i96 n GLY 87 N 1.87 -1.63 3.91 7.55 0.00 -1.11 -4.99 105.19 110.80 2i96 n GLY 87 Ca -0.30 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.51 3.51 0.03 1.61 3.76 -1.26 -5.00 115.29 114.43 2i96 s HIS 88 Ca 0.00 0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2i96 s HIS 88 Cb 0.00 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.92 2i96 s HIS 88 CO 0.00 0.60 0.04 -1.13 -0.85 0.00 0.00 174.74 173.40 2i96 n SER 89 N 0.45 0.05 -3.71 1.40 3.41 -1.26 -4.90 113.62 109.06 2i96 n SER 89 Ca -0.07 -1.04 -0.42 0.00 -0.26 0.00 0.00 58.87 57.08 2i96 n SER 89 Cb 0.51 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.47 2.92 0.18 6.66 -1.04 -1.26 -3.28 114.28 116.98 2i96 n THR 90 Ca 0.01 -2.55 0.00 0.00 -2.04 0.00 0.00 64.05 59.46 2i96 n THR 90 Cb 0.02 -2.51 0.00 0.00 -1.82 0.00 0.00 70.33 66.02 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 6.61 -3.09 0.28 8.00 2.03 -1.26 -4.89 116.55 124.23 2i96 n ASP 91 Ca 0.51 0.68 0.19 0.00 0.52 0.00 0.00 54.79 56.69 2i96 n ASP 91 Cb 0.40 2.99 0.99 0.00 -0.72 0.00 0.00 41.12 44.77 2i96 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i96 h ALA 92 N 0.00 1.00 -0.70 -1.67 0.00 -1.93 0.25 119.26 116.22 2i96 h ALA 92 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2i96 h ALA 92 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2i96 h ALA 92 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.57 2i96 h ARG 93 N 0.00 1.01 0.00 0.00 3.08 -1.90 -3.01 114.38 113.56 2i96 h ARG 93 Ca 0.00 -0.14 -0.19 0.00 0.07 0.00 0.00 59.98 59.72 2i96 h ARG 93 Cb 0.02 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 2i96 h ARG 93 CO 0.00 0.79 -1.70 0.39 -1.07 0.00 0.00 179.97 178.37 2i96 n GLU 94 N -4.32 2.31 -0.14 0.04 -0.58 0.37 -4.34 120.64 113.98 2i96 n GLU 94 Ca 0.07 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 2i96 n GLU 94 Cb 0.14 -1.26 0.06 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.92 0.00 3.49 4.05 -0.77 -3.19 114.93 119.43 2i96 h MET 95 Ca -0.28 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 2i96 h MET 95 Cb 1.63 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 2i96 h MET 95 CO 0.02 0.99 0.00 0.43 0.23 0.00 0.00 176.91 178.58 2i96 n SER 96 N -4.14 0.45 0.27 1.39 7.64 -1.14 -3.43 113.62 114.65 2i96 n SER 96 Ca 0.01 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.59 2i96 n SER 96 Cb 0.40 -0.69 0.76 0.00 -1.01 0.00 0.00 64.21 63.67 2i96 n SER 96 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2i96 h LYS 97 N 0.00 0.00 -0.69 1.43 1.79 -1.75 0.05 116.57 117.40 2i96 h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2i96 h LYS 97 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2i96 h LYS 97 CO 0.00 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.62 2i96 n THR 98 N -4.24 1.41 0.61 -0.16 -2.24 -1.22 -3.80 114.28 104.64 2i96 n THR 98 Ca -0.02 -1.10 0.06 0.00 -2.27 0.00 0.00 64.05 60.72 2i96 n THR 98 Cb 0.11 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.39 0.00 -2.23 4.78 3.72 -0.01 -4.89 117.46 120.22 2i96 n PHE 99 Ca 0.25 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.29 2i96 n PHE 99 Cb 0.75 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.26 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 -2.20 3.55 -0.54 4.37 1.01 -1.14 -1.98 121.20 124.28 2i96 s ILE 100 Ca 0.05 -0.12 0.24 0.00 0.00 0.00 0.00 60.65 60.83 2i96 s ILE 100 Cb 0.10 -4.35 0.15 0.00 0.01 0.00 0.00 42.46 38.38 2i96 s ILE 100 CO 0.52 -1.29 1.43 0.16 0.00 0.00 0.00 174.94 175.77 2i96 h ILE 101 N 6.83 0.00 0.00 2.92 3.07 -1.72 -3.46 117.51 125.14 2i96 h ILE 101 Ca -0.07 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.65 2i96 h ILE 101 Cb 1.06 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2i96 h ILE 101 CO 1.27 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.98 2i96 n GLY 102 N 1.25 -0.59 0.00 0.16 0.00 -1.23 -4.78 105.19 100.01 2i96 n GLY 102 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.58 -2.82 1.61 1.02 -0.11 -1.34 120.64 119.58 2i96 n GLU 103 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2i96 n GLU 103 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2i96 n GLU 103 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2i96 s LEU 104 N 0.00 3.82 0.73 -4.62 2.96 -1.24 -0.62 118.68 119.71 2i96 s LEU 104 Ca 0.00 1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 54.97 2i96 s LEU 104 Cb 0.00 -4.09 0.03 0.00 0.50 0.00 0.00 46.19 42.63 2i96 s LEU 104 CO 0.00 -0.41 1.18 1.57 -1.32 0.00 0.00 176.35 177.37 2i96 n HIS 105 N -1.24 1.37 0.02 5.38 -0.00 0.16 -4.29 115.22 116.63 2i96 n HIS 105 Ca 0.03 0.41 0.20 0.00 0.46 0.00 0.00 57.72 58.82 2i96 n HIS 105 Cb 0.54 -2.16 0.52 0.00 -0.12 0.00 0.00 29.99 28.77 2i96 n HIS 105 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2i96 h PRO 106 N -0.23 0.00 0.00 1.57 0.11 -1.94 0.72 132.00 132.23 2i96 h PRO 106 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2i96 h PRO 106 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 2i96 h PRO 106 CO 0.49 0.00 -1.95 -0.25 -0.21 0.00 0.00 178.00 176.08 2i96 n ASP 107 N -3.24 0.14 -0.09 -2.05 8.00 -1.26 -4.34 116.55 113.72 2i96 n ASP 107 Ca 0.12 0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 2i96 n ASP 107 Cb 1.03 1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 43.50 2i96 n ASP 107 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2i96 n ASP 108 N -2.45 0.99 -0.11 -2.24 8.00 0.51 -3.97 116.55 117.28 2i96 n ASP 108 Ca -0.10 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 2i96 n ASP 108 Cb 0.72 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 42.54 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 0.52 0.00 -1.24 2.43 0.11 -2.90 114.38 113.30 2i96 h ARG 109 Ca -0.47 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 58.49 2i96 h ARG 109 Cb 2.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 2i96 h ARG 109 CO 0.01 0.59 -0.57 -1.35 -1.51 0.00 0.00 179.97 177.14 2i96 h PRO 110 N 0.36 0.00 0.00 0.20 0.11 -1.79 -3.45 132.00 127.43 2i96 h PRO 110 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2i96 h PRO 110 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2i96 h PRO 110 CO 0.00 0.33 0.00 1.63 -0.21 0.00 0.00 178.00 179.76 2i96 n LYS 111 N -3.11 0.00 -0.11 1.05 5.02 -1.10 -1.18 118.16 118.74 2i96 n LYS 111 Ca 0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 2i96 n LYS 111 Cb 0.70 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.64 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 1.91 0.00 -0.35 7.94 -1.26 -4.92 117.00 120.32 2i96 n LEU 112 Ca 0.00 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2i96 n LEU 112 Cb 0.00 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2i96 n LEU 112 CO 0.00 0.11 0.00 -3.20 -1.11 0.00 0.00 177.39 173.19 2i96 n ASN 113 N -4.40 0.00 -2.94 1.96 2.85 -1.04 -5.03 115.26 106.65 2i96 n ASN 113 Ca -0.31 -0.85 -0.01 0.00 -0.11 0.00 0.00 54.58 53.30 2i96 n ASN 113 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 2i96 n ASN 113 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2i96 n LYS 114 N 0.00 -1.34 -1.92 1.20 4.81 -0.32 -4.92 118.16 115.67 2i96 n LYS 114 Ca 0.00 1.50 -0.42 0.00 -0.87 0.00 0.00 58.31 58.52 2i96 n LYS 114 Cb 0.21 -5.50 -0.03 0.00 0.02 0.00 0.00 35.03 29.74 2i96 n LYS 114 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2i96 s PRO 115 N -2.95 4.19 0.08 1.64 0.04 -1.26 -4.93 135.00 131.81 2i96 s PRO 115 Ca 0.02 2.33 -0.36 0.00 0.04 0.00 0.00 61.00 63.04 2i96 s PRO 115 Cb -0.01 -3.67 -0.17 0.00 0.04 0.00 0.00 34.50 30.69 2i96 s PRO 115 CO 0.71 -0.76 1.57 -1.35 0.04 0.00 0.00 177.00 177.21 2i96 h PRO 116 N 8.59 -1.00 0.00 0.56 0.11 -2.02 -3.49 132.00 134.75 2i96 h PRO 116 Ca -0.43 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2i96 h PRO 116 Cb 1.20 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2i96 h PRO 116 CO 0.93 -0.67 0.00 -1.91 -0.21 0.00 0.00 178.00 176.14 2i96 n GLU 117 N -5.57 0.00 -3.25 1.05 2.13 -1.26 -5.05 120.64 108.68 2i96 n GLU 117 Ca -0.13 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.25 2i96 n GLU 117 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 2i96 n GLU 117 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2i96 n THR 118 N 0.00 4.75 0.00 6.31 -1.04 -1.26 -4.77 114.28 118.27 2i96 n THR 118 Ca 0.00 -5.50 0.00 0.00 -2.04 0.00 0.00 64.05 56.51 2i96 n THR 118 Cb 0.00 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 2i96 n THR 118 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2i96 n LEU 119 N 2.43 0.00 -4.27 -4.42 7.99 -1.26 -5.08 117.00 112.39 2i96 n LEU 119 Ca 0.25 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.92 2i96 n LEU 119 Cb 0.38 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.53 2i96 n LEU 119 CO 0.53 0.00 -0.48 -0.63 -1.51 0.00 0.00 177.39 175.30 2i96 s ILE 120 N 0.00 2.67 0.13 -0.08 -1.09 -1.26 -5.11 121.20 116.46 2i96 s ILE 120 Ca 0.00 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2i96 s ILE 120 Cb 0.00 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 2i96 s ILE 120 CO 0.00 0.51 -0.15 0.28 -1.23 0.00 0.00 174.94 174.35 2i96 s THR 121 N 0.81 1.44 -0.09 2.92 -1.32 -1.26 -5.13 115.64 113.01 2i96 s THR 121 Ca -0.05 -1.77 -0.02 0.00 -1.21 0.00 0.00 61.69 58.64 2i96 s THR 121 Cb -0.15 -1.61 -0.03 0.00 -1.51 0.00 0.00 72.50 69.19 2i96 s THR 121 CO -0.00 -0.39 0.01 -0.89 -2.21 0.00 0.00 174.62 171.14 2i96 s THR 122 N -2.12 4.42 0.21 5.08 2.01 -1.26 -5.12 115.64 118.86 2i96 s THR 122 Ca 0.11 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.96 2i96 s THR 122 Cb -0.05 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2i96 s THR 122 CO 0.04 0.60 0.21 0.27 -0.69 0.00 0.00 174.62 175.04 2i96 s ILE 123 N -0.84 4.66 0.00 1.82 -4.36 -1.26 -5.07 121.20 116.14 2i96 s ILE 123 Ca 0.13 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2i96 s ILE 123 Cb -0.11 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.14 2i96 s ILE 123 CO 0.02 -0.24 0.68 -0.67 0.24 0.00 0.00 174.94 174.98 2i96 n ASP 124 N -0.85 0.00 -1.26 4.36 2.03 -1.26 -5.01 116.55 114.56 2i96 n ASP 124 Ca -0.08 0.68 -0.02 0.00 0.52 0.00 0.00 54.79 55.89 2i96 n ASP 124 Cb 0.56 -0.18 -0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.06 -0.22 0.20 1.67 7.64 -1.26 -5.01 113.62 115.59 2i96 n SER 125 Ca 0.00 -1.24 0.04 0.00 1.01 0.00 0.00 58.87 58.67 2i96 n SER 125 Cb 0.00 0.39 0.43 0.00 -1.01 0.00 0.00 64.21 64.02 2i96 n SER 125 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2i96 h SER 126 N 0.27 0.00 0.00 6.43 0.02 -2.07 -3.45 113.55 114.74 2i96 h SER 126 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2i96 h SER 126 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2i96 h SER 126 CO 0.05 0.28 0.00 -1.20 -1.14 0.00 0.00 176.83 174.82 2i96 n SER 127 N -4.21 0.00 0.00 3.07 7.64 -1.26 -5.28 113.62 113.58 2i96 n SER 127 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2i96 n SER 127 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2i96 n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83