#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo2 h PRO 11 N 11.21 0.00 -3.77 0.00 0.13 -1.89 -3.42 132.00 134.26 1oo2 h PRO 11 Ca -0.36 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.28 1oo2 h PRO 11 Cb 1.30 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 1oo2 h PRO 11 CO 0.99 0.07 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.88 1oo2 s LEU 12 N -6.42 0.92 0.27 1.56 2.96 -1.26 -0.21 118.68 116.50 1oo2 s LEU 12 Ca 0.00 -0.38 0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1oo2 s LEU 12 Cb 0.10 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 1oo2 s LEU 12 CO 0.56 -0.22 -0.15 -0.04 -1.32 0.00 0.00 176.35 175.19 1oo2 s MET 13 N 1.88 1.61 0.19 1.98 -1.94 0.40 -4.50 119.30 118.91 1oo2 s MET 13 Ca 0.03 -1.76 0.04 0.00 -1.71 0.00 0.00 55.69 52.29 1oo2 s MET 13 Cb -0.14 -1.53 -0.05 0.00 2.01 0.00 0.00 34.83 35.12 1oo2 s MET 13 CO -0.07 0.23 -0.05 0.08 -0.01 0.00 0.00 175.02 175.20 1oo2 s VAL 14 N -2.70 1.11 -0.23 -6.03 1.01 -1.26 -0.55 120.40 111.75 1oo2 s VAL 14 Ca 0.29 -2.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.19 1oo2 s VAL 14 Cb -0.02 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.38 1oo2 s VAL 14 CO 0.13 -0.54 0.28 -0.75 0.00 0.00 0.00 175.10 174.23 1oo2 s LYS 15 N -3.80 0.27 -0.15 2.72 2.47 -0.14 -4.37 119.74 116.73 1oo2 s LYS 15 Ca 0.23 0.23 -0.02 0.00 -1.56 0.00 0.00 55.97 54.85 1oo2 s LYS 15 Cb 0.04 -0.88 -0.02 0.00 -1.46 0.00 0.00 37.83 35.51 1oo2 s LYS 15 CO 0.05 -0.73 -0.10 0.42 0.16 0.00 0.00 175.35 175.15 1oo2 s ILE 16 N 2.40 3.28 0.09 5.43 1.09 -0.23 -1.10 121.20 132.16 1oo2 s ILE 16 Ca 0.09 -0.57 0.10 0.00 -1.10 0.00 0.00 60.65 59.17 1oo2 s ILE 16 Cb -0.15 -2.41 -0.04 0.00 -1.06 0.00 0.00 42.46 38.80 1oo2 s ILE 16 CO -0.18 0.50 -0.26 -0.76 -0.10 0.00 0.00 174.94 174.14 1oo2 s LEU 17 N 0.55 2.28 -0.30 2.97 1.43 0.21 -0.15 118.68 125.66 1oo2 s LEU 17 Ca -0.06 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.26 1oo2 s LEU 17 Cb -0.15 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 1oo2 s LEU 17 CO 0.03 0.21 0.17 -0.62 0.23 0.00 0.00 176.35 176.38 1oo2 s ASP 18 N -1.71 5.73 0.00 2.29 -1.08 0.65 -0.94 116.67 121.60 1oo2 s ASP 18 Ca 0.13 -0.33 0.29 0.00 -0.52 0.00 0.00 52.55 52.12 1oo2 s ASP 18 Cb -0.10 -2.05 1.23 0.00 -1.46 0.00 0.00 42.92 40.54 1oo2 s ASP 18 CO 0.04 -0.15 1.87 0.00 0.52 0.00 0.00 175.17 177.46 1oo2 n ALA 19 N 5.02 2.73 -0.04 3.66 0.00 0.01 -1.66 120.51 130.23 1oo2 n ALA 19 Ca -0.14 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 1oo2 n ALA 19 Cb 0.50 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 1oo2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oo2 h VAL 20 N 0.39 0.86 0.00 0.00 2.07 -1.94 -3.41 116.25 114.23 1oo2 h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1oo2 h VAL 20 Cb 0.36 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1oo2 h VAL 20 CO 0.00 0.62 -1.52 0.29 0.02 0.00 0.00 177.57 176.98 1oo2 n LYS 21 N -3.98 0.51 -2.98 1.57 4.76 -1.24 -5.00 118.16 111.81 1oo2 n LYS 21 Ca -0.30 -0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 54.96 1oo2 n LYS 21 Cb 0.86 -1.59 0.04 0.00 -1.84 0.00 0.00 35.03 32.50 1oo2 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oo2 n GLY 22 N 1.29 0.29 3.22 0.72 0.00 -0.67 -5.06 105.19 104.99 1oo2 n GLY 22 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1oo2 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oo2 s THR 23 N -3.14 0.45 0.80 2.61 -4.23 -1.18 -5.00 115.64 105.96 1oo2 s THR 23 Ca 0.25 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.68 1oo2 s THR 23 Cb -0.11 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.60 1oo2 s THR 23 CO 0.32 -0.37 1.15 -2.84 -0.54 0.00 0.00 174.62 172.35 1oo2 s PRO 24 N -3.99 1.82 -0.52 3.99 0.02 -1.26 -0.26 135.00 134.80 1oo2 s PRO 24 Ca 0.27 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.60 1oo2 s PRO 24 Cb 0.07 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.82 1oo2 s PRO 24 CO 0.05 -2.03 0.72 0.00 -0.33 0.00 0.00 177.00 175.41 1oo2 s ALA 25 N -2.48 3.32 0.26 -1.55 0.00 0.79 -4.55 121.76 117.55 1oo2 s ALA 25 Ca 0.68 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1oo2 s ALA 25 Cb -0.23 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1oo2 s ALA 25 CO 0.52 -2.13 0.55 0.20 0.00 0.00 0.00 175.76 174.90 1oo2 s GLY 26 N 2.76 2.09 -0.93 0.00 0.00 -1.26 -4.13 107.32 105.85 1oo2 s GLY 26 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 1oo2 s GLY 26 CO 0.14 -0.28 0.13 1.44 0.00 0.00 0.00 173.10 174.53 1oo2 n SER 27 N -0.51 -3.84 -4.64 1.64 7.64 -0.65 -4.96 113.62 108.30 1oo2 n SER 27 Ca -0.00 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 1oo2 n SER 27 Cb 0.53 -2.93 -0.04 0.00 -1.01 0.00 0.00 64.21 60.76 1oo2 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1oo2 s VAL 28 N -2.69 4.82 0.40 0.44 1.01 -1.26 -4.73 120.40 118.39 1oo2 s VAL 28 Ca 0.06 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.44 1oo2 s VAL 28 Cb -0.03 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1oo2 s VAL 28 CO 0.08 -0.09 1.00 0.00 0.00 0.00 0.00 175.10 176.10 1oo2 s ALA 29 N 2.88 3.07 0.12 5.51 0.00 -1.26 -1.59 121.76 130.49 1oo2 s ALA 29 Ca 0.36 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 1oo2 s ALA 29 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1oo2 s ALA 29 CO 0.07 -0.07 0.20 -0.48 0.00 0.00 0.00 175.76 175.48 1oo2 s LEU 30 N -2.78 1.34 -0.03 0.00 0.05 -0.06 -0.65 118.68 116.55 1oo2 s LEU 30 Ca 0.59 -0.84 0.02 0.00 0.05 0.00 0.00 54.13 53.94 1oo2 s LEU 30 Cb -0.17 0.95 0.01 0.00 -2.05 0.00 0.00 46.19 44.93 1oo2 s LEU 30 CO 0.22 -0.79 -0.07 -0.54 -0.55 0.00 0.00 176.35 174.62 1oo2 s LYS 31 N -3.94 0.92 -0.18 1.48 3.01 -0.65 -1.69 119.74 118.70 1oo2 s LYS 31 Ca 0.13 -0.22 -0.04 0.00 -1.01 0.00 0.00 55.97 54.82 1oo2 s LYS 31 Cb 0.05 -0.87 -0.02 0.00 -1.01 0.00 0.00 37.83 35.97 1oo2 s LYS 31 CO -0.05 0.03 -0.02 0.08 0.51 0.00 0.00 175.35 175.90 1oo2 s VAL 32 N 0.50 3.87 0.19 3.17 1.01 0.72 -0.93 120.40 128.92 1oo2 s VAL 32 Ca -0.07 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1oo2 s VAL 32 Cb -0.11 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1oo2 s VAL 32 CO 0.01 0.46 -0.19 -0.44 0.00 0.00 0.00 175.10 174.94 1oo2 s SER 33 N 0.73 2.89 -0.07 3.32 0.01 0.01 -0.48 113.70 120.10 1oo2 s SER 33 Ca -0.01 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.37 1oo2 s SER 33 Cb -0.14 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1oo2 s SER 33 CO 0.02 -0.02 -0.14 -1.58 0.41 0.00 0.00 173.24 171.93 1oo2 s GLN 34 N -2.98 2.71 0.16 12.44 0.74 0.78 -0.84 119.66 132.66 1oo2 s GLN 34 Ca 0.19 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 54.60 1oo2 s GLN 34 Cb -0.05 -2.43 -0.08 0.00 1.10 0.00 0.00 33.01 31.55 1oo2 s GLN 34 CO 0.08 0.52 1.18 0.21 -0.55 0.00 0.00 175.29 176.73 1oo2 s LYS 35 N -0.46 4.50 0.61 1.67 2.20 0.24 -1.00 119.74 127.51 1oo2 s LYS 35 Ca 0.06 1.82 -0.05 0.00 -0.36 0.00 0.00 55.97 57.44 1oo2 s LYS 35 Cb -0.12 -3.27 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1oo2 s LYS 35 CO 0.02 -0.08 0.90 0.99 -0.36 0.00 0.00 175.35 176.82 1oo2 s THR 36 N 0.09 3.12 0.61 3.43 2.01 0.69 -4.74 115.64 120.85 1oo2 s THR 36 Ca 0.53 -0.21 0.31 0.00 0.31 0.00 0.00 61.69 62.63 1oo2 s THR 36 Cb -0.31 -3.25 0.36 0.00 0.01 0.00 0.00 72.50 69.31 1oo2 s THR 36 CO 0.35 -0.25 2.11 0.00 -0.69 0.00 0.00 174.62 176.14 1oo2 h ALA 37 N -0.23 1.66 -0.00 7.40 0.00 -1.96 -2.11 119.26 124.02 1oo2 h ALA 37 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1oo2 h ALA 37 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1oo2 h ALA 37 CO 0.59 -0.27 -0.66 -0.40 0.00 0.00 0.00 179.25 178.51 1oo2 n ASP 38 N -3.61 1.10 0.00 0.00 5.75 -1.26 -4.93 116.55 113.61 1oo2 n ASP 38 Ca 0.01 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 1oo2 n ASP 38 Cb 0.31 0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 1oo2 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oo2 n GLY 39 N 1.46 0.78 0.61 6.12 0.00 -0.79 -5.10 105.19 108.28 1oo2 n GLY 39 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1oo2 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oo2 n GLY 40 N -1.56 -0.25 3.06 -0.02 0.00 -1.26 -4.80 105.19 100.37 1oo2 n GLY 40 Ca 0.00 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1oo2 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oo2 s TRP 41 N -0.89 1.00 -0.07 1.61 0.52 -1.26 -0.22 118.94 119.63 1oo2 s TRP 41 Ca 0.11 -0.21 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1oo2 s TRP 41 Cb -0.00 -0.64 -0.00 0.00 -1.15 0.00 0.00 33.47 31.67 1oo2 s TRP 41 CO 0.08 -0.01 -0.23 0.99 0.02 0.00 0.00 176.95 177.80 1oo2 s THR 42 N -0.34 1.89 0.05 2.01 2.01 -0.17 -4.90 115.64 116.18 1oo2 s THR 42 Ca 0.04 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1oo2 s THR 42 Cb -0.05 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1oo2 s THR 42 CO -0.00 0.53 1.02 -1.58 -0.69 0.00 0.00 174.62 173.89 1oo2 s GLN 43 N 0.07 4.57 0.00 4.92 0.74 -1.26 -0.16 119.66 128.54 1oo2 s GLN 43 Ca -0.09 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.83 1oo2 s GLN 43 Cb -0.15 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.55 1oo2 s GLN 43 CO 0.05 -0.02 0.05 0.44 -0.55 0.00 0.00 175.29 175.26 1oo2 n ILE 44 N 3.55 0.00 -3.53 -2.34 -5.35 0.37 -4.94 119.36 107.13 1oo2 n ILE 44 Ca 0.05 -0.39 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 1oo2 n ILE 44 Cb 0.49 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.39 1oo2 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oo2 s ALA 45 N -0.68 -1.85 0.07 -1.28 0.00 -0.97 -4.99 121.76 112.07 1oo2 s ALA 45 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1oo2 s ALA 45 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1oo2 s ALA 45 CO 0.00 -0.53 -0.07 0.95 0.00 0.00 0.00 175.76 176.11 1oo2 s THR 46 N -2.26 0.61 0.21 0.00 -4.23 -1.26 -0.20 115.64 108.51 1oo2 s THR 46 Ca 0.01 -1.58 -0.22 0.00 -1.18 0.00 0.00 61.69 58.73 1oo2 s THR 46 Cb -0.01 -1.23 0.07 0.00 1.34 0.00 0.00 72.50 72.67 1oo2 s THR 46 CO -0.04 -0.68 0.99 -0.83 -0.54 0.00 0.00 174.62 173.52 1oo2 s GLY 47 N -2.44 0.09 -0.03 3.99 0.00 -0.68 -5.00 107.32 103.25 1oo2 s GLY 47 Ca 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1oo2 s GLY 47 CO -0.03 1.57 -0.05 0.14 0.00 0.00 0.00 173.10 174.74 1oo2 s VAL 48 N -2.40 0.48 0.53 1.40 1.01 -1.26 -0.88 120.40 119.28 1oo2 s VAL 48 Ca 0.19 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 1oo2 s VAL 48 Cb -0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 1oo2 s VAL 48 CO 0.06 0.18 1.17 0.42 0.00 0.00 0.00 175.10 176.93 1oo2 s THR 49 N 0.46 2.95 0.05 3.92 -4.23 -0.62 -4.77 115.64 113.41 1oo2 s THR 49 Ca -0.06 0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1oo2 s THR 49 Cb -0.09 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.48 1oo2 s THR 49 CO -0.00 -0.09 0.07 -0.90 -0.54 0.00 0.00 174.62 173.16 1oo2 n ASP 50 N -1.12 -0.18 0.00 3.99 3.85 0.48 -1.64 116.55 121.93 1oo2 n ASP 50 Ca 0.11 -0.94 0.12 0.00 -0.71 0.00 0.00 54.79 53.36 1oo2 n ASP 50 Cb 0.49 -0.05 0.62 0.00 -1.35 0.00 0.00 41.12 40.83 1oo2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1oo2 n ALA 51 N -3.06 2.25 0.82 2.12 0.00 -1.26 -1.74 120.51 119.64 1oo2 n ALA 51 Ca -0.01 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1oo2 n ALA 51 Cb 0.03 -1.38 0.29 0.00 0.00 0.00 0.00 19.45 18.39 1oo2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oo2 n THR 52 N -1.21 0.34 -1.36 0.00 -2.24 -1.26 -4.60 114.28 103.95 1oo2 n THR 52 Ca 0.13 -0.53 -0.08 0.00 -2.27 0.00 0.00 64.05 61.30 1oo2 n THR 52 Cb 0.16 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1oo2 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oo2 n GLY 53 N 1.30 0.88 3.57 3.38 0.00 -0.71 -4.72 105.19 108.89 1oo2 n GLY 53 Ca 0.17 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 1oo2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oo2 s GLU 54 N -2.92 1.88 -0.19 1.61 2.02 -1.26 -1.07 118.70 118.77 1oo2 s GLU 54 Ca 0.00 -1.97 -0.01 0.00 0.02 0.00 0.00 54.97 53.01 1oo2 s GLU 54 Cb 0.00 -1.71 0.05 0.00 0.10 0.00 0.00 34.13 32.57 1oo2 s GLU 54 CO 0.00 0.09 -0.03 -1.50 0.02 0.00 0.00 175.26 173.84 1oo2 s ILE 55 N -2.63 1.03 0.28 -1.63 1.10 -1.26 -0.39 121.20 117.70 1oo2 s ILE 55 Ca 0.33 -0.74 -0.29 0.00 -0.51 0.00 0.00 60.65 59.44 1oo2 s ILE 55 Cb 0.04 -1.32 -0.10 0.00 0.15 0.00 0.00 42.46 41.23 1oo2 s ILE 55 CO 0.17 -0.02 1.13 -2.28 -2.11 0.00 0.00 174.94 171.83 1oo2 s HIS 56 N 1.65 3.51 -1.22 3.50 5.65 -1.26 -3.77 115.29 123.35 1oo2 s HIS 56 Ca -0.01 1.66 -0.34 0.00 0.25 0.00 0.00 55.06 56.62 1oo2 s HIS 56 Cb -0.17 -3.34 0.04 0.00 -1.18 0.00 0.00 32.58 27.94 1oo2 s HIS 56 CO -0.07 -0.73 0.68 0.27 -0.65 0.00 0.00 174.74 174.24 1oo2 n ASN 57 N 1.19 -4.13 -0.18 9.88 0.23 -1.26 -4.86 115.26 116.12 1oo2 n ASN 57 Ca -0.01 -1.29 -0.03 0.00 -0.53 0.00 0.00 54.58 52.73 1oo2 n ASN 57 Cb 0.44 -1.77 0.07 0.00 -2.08 0.00 0.00 39.78 36.45 1oo2 n ASN 57 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1oo2 h LEU 58 N -2.60 0.34 -7.60 -4.53 6.46 -1.79 -3.45 115.31 102.14 1oo2 h LEU 58 Ca -0.71 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.00 1oo2 h LEU 58 Cb 1.40 -0.01 -0.17 0.00 -0.73 0.00 0.00 40.66 41.16 1oo2 h LEU 58 CO 0.52 0.22 -0.27 0.27 -0.62 0.00 0.00 178.44 178.56 1oo2 s ILE 59 N -6.11 0.09 0.57 4.05 -0.00 -1.26 -4.84 121.20 113.70 1oo2 s ILE 59 Ca -0.13 -0.74 0.00 0.00 -0.00 0.00 0.00 60.65 59.78 1oo2 s ILE 59 Cb 0.15 -0.97 0.04 0.00 -0.00 0.00 0.00 42.46 41.68 1oo2 s ILE 59 CO 0.74 -0.41 0.81 0.42 -0.00 0.00 0.00 174.94 176.50 1oo2 s THR 60 N -2.68 2.61 0.28 8.37 -4.23 -1.26 -4.51 115.64 114.21 1oo2 s THR 60 Ca -0.04 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1oo2 s THR 60 Cb -0.00 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.12 1oo2 s THR 60 CO -0.04 -0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.80 1oo2 h GLU 61 N -0.03 0.98 0.00 3.99 4.57 -1.95 -2.03 114.58 120.11 1oo2 h GLU 61 Ca -0.42 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.65 1oo2 h GLU 61 Cb 1.30 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1oo2 h GLU 61 CO 0.53 0.65 -0.21 1.96 -1.18 0.00 0.00 179.01 180.77 1oo2 h GLN 62 N 1.01 0.00 -0.09 1.92 7.50 -2.00 -2.86 115.11 120.60 1oo2 h GLN 62 Ca 0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.64 1oo2 h GLN 62 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 1oo2 h GLN 62 CO -0.26 0.21 0.00 1.04 -1.50 0.00 0.00 178.83 178.32 1oo2 n GLN 63 N -3.35 1.80 -3.11 1.46 6.02 -0.77 -4.56 117.38 114.87 1oo2 n GLN 63 Ca 0.00 -1.18 -0.26 0.00 -0.01 0.00 0.00 57.00 55.55 1oo2 n GLN 63 Cb 0.43 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 1oo2 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1oo2 n PHE 64 N 0.42 3.13 -1.08 1.08 7.35 -1.08 -4.93 117.46 122.35 1oo2 n PHE 64 Ca 0.18 -3.98 -0.29 0.00 -0.76 0.00 0.00 57.45 52.59 1oo2 n PHE 64 Cb 0.38 -0.49 0.21 0.00 0.35 0.00 0.00 39.48 39.93 1oo2 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1oo2 s PRO 65 N -2.94 -0.30 0.61 -7.13 0.04 -1.26 -4.98 135.00 119.03 1oo2 s PRO 65 Ca 0.45 0.33 -0.20 0.00 0.04 0.00 0.00 61.00 61.62 1oo2 s PRO 65 Cb 0.25 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 33.10 1oo2 s PRO 65 CO -0.10 -3.18 1.33 0.00 0.04 0.00 0.00 177.00 175.09 1oo2 s ALA 66 N -2.93 2.56 0.00 8.56 0.00 -1.26 -4.89 121.76 123.80 1oo2 s ALA 66 Ca 0.67 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1oo2 s ALA 66 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1oo2 s ALA 66 CO 0.58 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1oo2 n GLY 67 N 0.84 0.00 3.78 0.00 0.00 -0.71 -4.98 105.19 104.12 1oo2 n GLY 67 Ca 0.14 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 1oo2 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oo2 s VAL 68 N -1.64 5.04 0.12 1.61 1.01 -1.26 0.17 120.40 125.45 1oo2 s VAL 68 Ca 0.00 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.02 1oo2 s VAL 68 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1oo2 s VAL 68 CO 0.00 0.46 -0.14 -0.31 0.00 0.00 0.00 175.10 175.10 1oo2 s TYR 69 N -0.31 1.43 -0.07 5.22 1.51 -0.13 -0.59 117.35 124.41 1oo2 s TYR 69 Ca 0.26 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1oo2 s TYR 69 Cb -0.17 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1oo2 s TYR 69 CO 0.13 0.15 -0.11 0.50 -1.11 0.00 0.00 175.55 175.11 1oo2 s ARG 70 N -2.61 1.60 -0.20 -0.62 3.52 -0.02 -1.12 118.95 119.49 1oo2 s ARG 70 Ca 0.09 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.29 1oo2 s ARG 70 Cb -0.05 -1.37 -0.01 0.00 -1.56 0.00 0.00 34.95 31.96 1oo2 s ARG 70 CO 0.03 -0.01 -0.05 0.08 -0.81 0.00 0.00 175.30 174.54 1oo2 s VAL 71 N 0.79 3.38 -0.38 7.11 1.01 -0.18 -0.81 120.40 131.31 1oo2 s VAL 71 Ca -0.12 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1oo2 s VAL 71 Cb -0.15 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1oo2 s VAL 71 CO 0.02 0.44 0.26 -0.70 0.00 0.00 0.00 175.10 175.13 1oo2 s GLU 72 N 1.21 3.05 -0.18 2.72 2.12 -0.11 -0.99 118.70 126.53 1oo2 s GLU 72 Ca 0.03 -0.95 -0.12 0.00 0.36 0.00 0.00 54.97 54.29 1oo2 s GLU 72 Cb -0.14 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.33 1oo2 s GLU 72 CO -0.01 -0.67 0.22 -0.06 -0.54 0.00 0.00 175.26 174.20 1oo2 s PHE 73 N 1.66 3.44 -1.32 5.30 0.08 0.16 -1.63 117.98 125.66 1oo2 s PHE 73 Ca 0.05 0.48 -0.11 0.00 0.12 0.00 0.00 56.93 57.47 1oo2 s PHE 73 Cb -0.19 -2.26 0.14 0.00 -0.57 0.00 0.00 43.02 40.14 1oo2 s PHE 73 CO 0.09 0.26 1.94 -3.47 -0.10 0.00 0.00 175.22 173.94 1oo2 n ASP 74 N 3.54 4.82 0.20 1.36 -0.08 0.18 -2.08 116.55 124.49 1oo2 n ASP 74 Ca -0.14 -3.04 0.06 0.00 -1.51 0.00 0.00 54.79 50.16 1oo2 n ASP 74 Cb 0.52 -1.53 0.38 0.00 2.34 0.00 0.00 41.12 42.83 1oo2 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1oo2 h THR 75 N 3.86 0.90 -0.12 5.18 1.35 -1.86 -2.64 112.91 119.57 1oo2 h THR 75 Ca 0.43 -1.39 -0.01 0.00 -0.55 0.00 0.00 66.41 64.90 1oo2 h THR 75 Cb 0.64 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1oo2 h THR 75 CO 1.67 0.34 0.05 0.50 -0.25 0.00 0.00 175.52 177.83 1oo2 h LYS 76 N 0.00 0.18 0.00 4.72 3.64 -1.76 -1.50 116.57 121.85 1oo2 h LYS 76 Ca -0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1oo2 h LYS 76 Cb 0.81 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1oo2 h LYS 76 CO 0.05 0.29 -0.41 0.00 -2.27 0.00 0.00 179.45 177.10 1oo2 h ALA 77 N 0.89 1.16 -0.38 5.00 0.00 -1.89 -1.40 119.26 122.63 1oo2 h ALA 77 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1oo2 h ALA 77 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1oo2 h ALA 77 CO -0.00 0.52 0.09 -0.92 0.00 0.00 0.00 179.25 178.94 1oo2 h TYR 78 N 0.00 0.15 -0.16 0.00 3.20 -1.08 0.93 116.97 120.02 1oo2 h TYR 78 Ca -0.00 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 1oo2 h TYR 78 Cb 0.81 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.08 1oo2 h TYR 78 CO 0.00 0.03 -0.63 -1.49 -1.64 0.00 0.00 178.16 174.43 1oo2 h TRP 79 N 0.22 0.94 -0.04 -3.82 4.06 -0.85 -1.38 115.95 115.08 1oo2 h TRP 79 Ca 0.18 -0.40 -0.07 0.00 2.06 0.00 0.00 58.89 60.67 1oo2 h TRP 79 Cb 0.20 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1oo2 h TRP 79 CO -0.18 1.21 -0.28 1.79 -3.56 0.00 0.00 178.44 177.42 1oo2 h THR 80 N 0.41 1.22 0.00 1.49 1.35 -1.16 -0.23 112.91 115.99 1oo2 h THR 80 Ca -0.03 -1.05 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 1oo2 h THR 80 Cb 1.27 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1oo2 h THR 80 CO 0.13 0.31 -0.16 0.78 -0.25 0.00 0.00 175.52 176.33 1oo2 h ASN 81 N 0.07 0.00 0.50 5.36 2.35 -0.39 -1.46 115.58 122.00 1oo2 h ASN 81 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1oo2 h ASN 81 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1oo2 h ASN 81 CO 0.04 0.16 -0.24 0.00 -1.65 0.00 0.00 177.43 175.73 1oo2 n GLN 82 N -3.51 0.37 -1.52 0.81 1.13 -0.30 -4.94 117.38 109.42 1oo2 n GLN 82 Ca -0.01 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1oo2 n GLN 82 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1oo2 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1oo2 n GLY 83 N 1.40 0.74 3.38 1.08 0.00 -0.55 -5.08 105.19 106.16 1oo2 n GLY 83 Ca 0.10 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 1oo2 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oo2 s SER 84 N -2.77 2.79 -0.24 1.61 0.01 -0.25 -5.00 113.70 109.84 1oo2 s SER 84 Ca 0.00 -1.04 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 1oo2 s SER 84 Cb 0.00 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1oo2 s SER 84 CO 0.00 -0.15 0.13 -0.89 0.41 0.00 0.00 173.24 172.74 1oo2 s THR 85 N -2.89 5.05 0.42 1.44 2.01 -1.26 -3.37 115.64 117.04 1oo2 s THR 85 Ca 0.25 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1oo2 s THR 85 Cb -0.01 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1oo2 s THR 85 CO 0.09 0.34 0.63 -2.16 -0.69 0.00 0.00 174.62 172.83 1oo2 s PRO 86 N 1.24 3.19 -0.15 4.92 0.04 -1.26 -4.86 135.00 138.11 1oo2 s PRO 86 Ca 0.06 -0.46 -0.23 0.00 0.04 0.00 0.00 61.00 60.42 1oo2 s PRO 86 Cb -0.14 -2.60 -0.20 0.00 0.04 0.00 0.00 34.50 31.60 1oo2 s PRO 86 CO 0.05 -0.14 0.51 0.35 0.04 0.00 0.00 177.00 177.81 1oo2 h PHE 87 N 0.51 0.00 -3.87 0.56 3.57 -1.66 -3.48 116.94 112.57 1oo2 h PHE 87 Ca -0.47 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.56 1oo2 h PHE 87 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1oo2 h PHE 87 CO 0.47 0.91 0.28 -1.01 -2.23 0.00 0.00 178.31 176.73 1oo2 s HIS 88 N -2.15 3.55 0.22 0.41 3.76 -1.26 -4.97 115.29 114.85 1oo2 s HIS 88 Ca -0.18 1.62 0.09 0.00 -0.15 0.00 0.00 55.06 56.45 1oo2 s HIS 88 Cb -0.01 -2.82 0.15 0.00 1.11 0.00 0.00 32.58 31.01 1oo2 s HIS 88 CO 0.55 0.13 1.49 0.93 -0.85 0.00 0.00 174.74 176.99 1oo2 h GLU 89 N 2.77 0.00 -2.34 1.40 4.39 -1.99 -3.38 114.58 115.43 1oo2 h GLU 89 Ca -0.48 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.37 1oo2 h GLU 89 Cb 1.19 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.73 1oo2 h GLU 89 CO 0.64 0.76 0.48 0.14 -1.16 0.00 0.00 179.01 179.86 1oo2 s VAL 90 N -3.28 0.00 -0.24 3.13 -7.23 -1.26 -4.38 120.40 107.14 1oo2 s VAL 90 Ca -0.00 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.78 1oo2 s VAL 90 Cb 0.12 -1.59 0.06 0.00 0.56 0.00 0.00 36.38 35.53 1oo2 s VAL 90 CO 0.78 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 175.51 1oo2 s ALA 91 N -3.24 2.07 -0.16 1.32 0.00 -0.88 -4.91 121.76 115.97 1oo2 s ALA 91 Ca 0.09 -1.42 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 1oo2 s ALA 91 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1oo2 s ALA 91 CO -0.02 -1.16 0.12 -1.21 0.00 0.00 0.00 175.76 173.48 1oo2 s GLU 92 N 1.34 3.78 -0.20 0.00 2.02 -1.26 -0.67 118.70 123.71 1oo2 s GLU 92 Ca -0.06 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 54.73 1oo2 s GLU 92 Cb -0.19 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 30.83 1oo2 s GLU 92 CO -0.06 0.52 -0.11 0.08 0.02 0.00 0.00 175.26 175.71 1oo2 s VAL 93 N -0.29 1.69 -0.14 2.63 1.01 -0.16 -4.98 120.40 120.14 1oo2 s VAL 93 Ca 0.11 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1oo2 s VAL 93 Cb -0.12 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1oo2 s VAL 93 CO 0.01 0.17 -0.17 -0.69 0.00 0.00 0.00 175.10 174.42 1oo2 s VAL 94 N 1.38 2.56 0.14 2.92 1.01 -1.26 -1.01 120.40 126.14 1oo2 s VAL 94 Ca -0.01 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1oo2 s VAL 94 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1oo2 s VAL 94 CO -0.08 0.53 0.28 0.72 0.00 0.00 0.00 175.10 176.55 1oo2 s PHE 95 N 0.71 0.21 -0.11 5.22 -0.71 -0.27 -4.98 117.98 118.05 1oo2 s PHE 95 Ca -0.08 -0.59 -0.14 0.00 -1.04 0.00 0.00 56.93 55.09 1oo2 s PHE 95 Cb -0.16 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.62 1oo2 s PHE 95 CO 0.01 -0.68 0.32 0.16 -1.34 0.00 0.00 175.22 173.70 1oo2 s ASP 96 N -2.91 6.55 -0.04 1.98 1.47 -1.26 -0.95 116.67 121.50 1oo2 s ASP 96 Ca 0.11 0.65 0.04 0.00 1.18 0.00 0.00 52.55 54.53 1oo2 s ASP 96 Cb 0.03 -2.19 -0.03 0.00 -0.34 0.00 0.00 42.92 40.39 1oo2 s ASP 96 CO -0.05 0.19 -0.14 0.00 0.68 0.00 0.00 175.17 175.86 1oo2 s ALA 97 N -0.14 2.69 0.00 2.11 0.00 0.13 -4.96 121.76 121.59 1oo2 s ALA 97 Ca 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1oo2 s ALA 97 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1oo2 s ALA 97 CO 0.07 0.56 0.00 -2.39 0.00 0.00 0.00 175.76 174.00 1oo2 n HIS 98 N 2.23 0.00 0.17 0.00 1.44 -1.26 -1.74 115.22 116.06 1oo2 n HIS 98 Ca -0.17 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.40 1oo2 n HIS 98 Cb 0.52 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 1oo2 n HIS 98 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1oo2 h PRO 99 N 0.00 -0.44 0.00 -1.40 0.11 -1.93 -3.12 132.00 125.22 1oo2 h PRO 99 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1oo2 h PRO 99 Cb 0.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1oo2 h PRO 99 CO 0.00 -0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 176.65 1oo2 n GLU 100 N -5.32 0.00 0.00 1.05 0.00 -1.26 -4.88 120.64 110.22 1oo2 n GLU 100 Ca -0.09 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1oo2 n GLU 100 Cb 0.24 -1.08 0.00 0.00 0.00 0.00 0.00 31.44 30.59 1oo2 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1oo2 n GLY 101 N -0.79 2.78 0.00 -1.84 0.00 -1.18 -5.07 105.19 99.08 1oo2 n GLY 101 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1oo2 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1oo2 n HIS 102 N 0.43 0.00 0.00 1.61 -0.00 -1.12 -5.16 115.22 110.99 1oo2 n HIS 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1oo2 n HIS 102 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1oo2 n HIS 102 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1oo2 n GLY 103 N 4.09 2.36 3.60 -1.39 0.00 0.50 -4.73 105.19 109.63 1oo2 n GLY 103 Ca 0.00 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1oo2 n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oo2 s HIS 104 N 0.00 2.68 -0.04 1.61 3.76 0.06 -4.95 115.29 118.42 1oo2 s HIS 104 Ca 0.00 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1oo2 s HIS 104 Cb 0.00 -1.28 -0.00 0.00 1.11 0.00 0.00 32.58 32.40 1oo2 s HIS 104 CO 0.00 0.54 -0.16 0.71 -0.85 0.00 0.00 174.74 174.97 1oo2 s TYR 105 N -1.83 1.64 -0.16 1.40 1.51 0.70 -1.29 117.35 119.32 1oo2 s TYR 105 Ca 0.27 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1oo2 s TYR 105 Cb -0.08 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1oo2 s TYR 105 CO 0.17 -0.16 -0.18 0.99 -1.11 0.00 0.00 175.55 175.26 1oo2 s THR 106 N 0.04 2.39 -0.37 -0.71 2.01 -0.36 -0.45 115.64 118.18 1oo2 s THR 106 Ca -0.04 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 1oo2 s THR 106 Cb -0.11 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1oo2 s THR 106 CO 0.02 0.52 0.49 -0.76 -0.69 0.00 0.00 174.62 174.21 1oo2 s LEU 107 N 0.97 4.48 -0.09 4.42 1.43 0.28 -1.41 118.68 128.76 1oo2 s LEU 107 Ca -0.03 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1oo2 s LEU 107 Cb -0.15 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1oo2 s LEU 107 CO -0.04 -0.52 0.23 0.00 0.23 0.00 0.00 176.35 176.26 1oo2 s ALA 108 N 2.35 3.80 -0.05 4.21 0.00 -0.57 -0.96 121.76 130.53 1oo2 s ALA 108 Ca 0.17 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1oo2 s ALA 108 Cb -0.16 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 20.87 1oo2 s ALA 108 CO 0.14 0.53 0.09 -1.17 0.00 0.00 0.00 175.76 175.35 1oo2 s LEU 109 N -0.90 0.11 -0.23 0.00 0.20 -0.26 -1.53 118.68 116.08 1oo2 s LEU 109 Ca 0.18 0.17 -0.05 0.00 0.69 0.00 0.00 54.13 55.12 1oo2 s LEU 109 Cb -0.13 0.01 -0.01 0.00 -0.43 0.00 0.00 46.19 45.62 1oo2 s LEU 109 CO 0.07 -0.24 -0.02 -0.22 -0.29 0.00 0.00 176.35 175.65 1oo2 s LEU 110 N 2.16 3.01 -0.12 -0.68 2.96 -0.27 -0.62 118.68 125.11 1oo2 s LEU 110 Ca 0.04 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1oo2 s LEU 110 Cb -0.12 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1oo2 s LEU 110 CO -0.04 -0.02 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.17 1oo2 s LEU 111 N 1.51 3.28 0.15 -0.68 1.43 -0.12 -1.47 118.68 122.78 1oo2 s LEU 111 Ca 0.06 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1oo2 s LEU 111 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1oo2 s LEU 111 CO -0.02 0.25 -0.11 -0.44 0.23 0.00 0.00 176.35 176.26 1oo2 s SER 112 N -0.11 1.90 0.32 2.29 0.01 -0.24 -0.81 113.70 117.06 1oo2 s SER 112 Ca 0.02 -0.98 0.06 0.00 1.31 0.00 0.00 55.95 56.37 1oo2 s SER 112 Cb -0.13 -0.03 0.73 0.00 0.21 0.00 0.00 66.02 66.80 1oo2 s SER 112 CO 0.03 -0.28 1.81 -0.65 0.41 0.00 0.00 173.24 174.56 1oo2 h PRO 113 N 2.88 0.76 -0.28 12.44 0.11 -1.99 -2.68 132.00 143.24 1oo2 h PRO 113 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1oo2 h PRO 113 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1oo2 h PRO 113 CO 0.61 0.50 0.00 1.19 -0.21 0.00 0.00 178.00 180.10 1oo2 n PHE 114 N -4.67 0.60 -3.66 0.65 3.72 -1.26 -1.59 117.46 111.25 1oo2 n PHE 114 Ca 0.21 -0.66 -0.14 0.00 -0.05 0.00 0.00 57.45 56.80 1oo2 n PHE 114 Cb 0.51 -0.14 -0.07 0.00 -0.94 0.00 0.00 39.48 38.84 1oo2 n PHE 114 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1oo2 s SER 115 N -1.42 -0.36 0.01 4.37 0.15 -1.01 -4.95 113.70 110.49 1oo2 s SER 115 Ca 0.29 0.23 -0.10 0.00 0.70 0.00 0.00 55.95 57.07 1oo2 s SER 115 Cb 0.20 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1oo2 s SER 115 CO 0.12 -0.57 0.20 -0.72 1.20 0.00 0.00 173.24 173.46 1oo2 s TYR 116 N -1.72 -0.01 -0.14 3.44 -0.85 -1.26 -1.08 117.35 115.72 1oo2 s TYR 116 Ca -0.10 -0.09 -0.02 0.00 -0.52 0.00 0.00 57.07 56.34 1oo2 s TYR 116 Cb -0.02 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 1oo2 s TYR 116 CO 0.03 -0.37 -0.09 0.99 -1.52 0.00 0.00 175.55 174.60 1oo2 s THR 117 N -1.82 3.41 -0.16 -3.49 2.01 -0.54 -4.98 115.64 110.08 1oo2 s THR 117 Ca -0.11 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1oo2 s THR 117 Cb -0.05 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1oo2 s THR 117 CO 0.00 0.51 -0.16 0.28 -0.69 0.00 0.00 174.62 174.56 1oo2 s THR 118 N 0.40 2.56 0.26 -0.82 -1.32 -1.26 -1.12 115.64 114.34 1oo2 s THR 118 Ca -0.07 -0.81 0.01 0.00 -1.21 0.00 0.00 61.69 59.61 1oo2 s THR 118 Cb -0.15 -2.07 -0.05 0.00 -1.51 0.00 0.00 72.50 68.72 1oo2 s THR 118 CO 0.04 0.52 0.10 -0.89 -2.21 0.00 0.00 174.62 172.18 1oo2 s THR 119 N 0.86 0.53 0.02 5.08 2.01 -0.58 -5.02 115.64 118.54 1oo2 s THR 119 Ca -0.05 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 59.97 1oo2 s THR 119 Cb -0.15 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 1oo2 s THR 119 CO -0.01 0.00 -0.05 0.00 -0.69 0.00 0.00 174.62 173.87 1oo2 s ALA 120 N -3.77 0.38 -0.28 7.40 0.00 -1.26 -1.51 121.76 122.71 1oo2 s ALA 120 Ca 0.38 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1oo2 s ALA 120 Cb 0.08 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1oo2 s ALA 120 CO 0.14 -0.00 0.00 0.08 0.00 0.00 0.00 175.76 175.98 1oo2 s VAL 121 N -0.84 3.30 -0.27 0.00 1.01 -0.50 -5.00 120.40 118.11 1oo2 s VAL 121 Ca -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1oo2 s VAL 121 Cb -0.06 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1oo2 s VAL 121 CO -0.00 0.10 -0.02 -0.69 0.00 0.00 0.00 175.10 174.48 1oo2 s VAL 122 N 1.38 3.07 -0.02 2.92 1.01 -1.26 -1.22 120.40 126.28 1oo2 s VAL 122 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.98 1oo2 s VAL 122 Cb -0.17 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1oo2 s VAL 122 CO -0.01 0.10 -0.20 -0.94 0.00 0.00 0.00 175.10 174.06 1oo2 s SER 123 N 1.33 2.29 0.00 3.32 1.04 -0.42 -4.95 113.70 116.32 1oo2 s SER 123 Ca -0.01 -0.35 0.31 0.00 0.48 0.00 0.00 55.95 56.38 1oo2 s SER 123 Cb -0.17 -0.26 1.64 0.00 0.10 0.00 0.00 66.02 67.33 1oo2 s SER 123 CO -0.03 0.24 2.08 -1.20 0.98 0.00 0.00 173.24 175.31