#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 7.82 0.00 -3.59 0.00 0.13 -1.92 -3.41 132.00 131.03 1oo2 h PRO 11 Ca -0.25 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.44 1oo2 h PRO 11 Cb 1.11 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.86 1oo2 h PRO 11 CO 0.81 0.00 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.65 1oo2 s LEU 12 N -8.99 0.57 0.17 1.56 2.96 -1.26 -0.76 118.68 112.94 1oo2 s LEU 12 Ca -0.05 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1oo2 s LEU 12 Cb 0.18 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 1oo2 s LEU 12 CO 0.68 -0.22 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.29 1oo2 s MET 13 N 2.00 1.25 0.17 1.98 -1.94 0.80 -4.53 119.30 119.03 1oo2 s MET 13 Ca 0.04 -1.44 0.09 0.00 -1.71 0.00 0.00 55.69 52.68 1oo2 s MET 13 Cb -0.13 -1.19 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1oo2 s MET 13 CO -0.05 0.23 -0.19 0.14 -0.01 0.00 0.00 175.02 175.13 1oo2 s VAL 14 N -2.36 1.89 -0.20 -6.03 -7.23 -1.26 -0.61 120.40 104.60 1oo2 s VAL 14 Ca 0.17 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 1oo2 s VAL 14 Cb -0.04 -1.89 0.08 0.00 0.56 0.00 0.00 36.38 35.09 1oo2 s VAL 14 CO 0.06 -0.31 0.15 -0.75 -0.31 0.00 0.00 175.10 173.94 1oo2 s LYS 15 N -2.84 0.14 -0.16 4.82 2.47 -0.41 -4.37 119.74 119.39 1oo2 s LYS 15 Ca 0.17 -0.05 -0.04 0.00 -1.56 0.00 0.00 55.97 54.49 1oo2 s LYS 15 Cb -0.06 -1.47 -0.03 0.00 -1.46 0.00 0.00 37.83 34.81 1oo2 s LYS 15 CO 0.07 -0.73 -0.03 0.42 0.16 0.00 0.00 175.35 175.24 1oo2 s ILE 16 N 2.21 3.93 0.11 5.43 1.01 -0.19 -0.98 121.20 132.72 1oo2 s ILE 16 Ca 0.05 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1oo2 s ILE 16 Cb -0.16 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1oo2 s ILE 16 CO -0.15 0.49 -0.26 -0.76 0.00 0.00 0.00 174.94 174.26 1oo2 s LEU 17 N 0.38 2.31 -0.32 2.97 1.43 0.04 -0.98 118.68 124.51 1oo2 s LEU 17 Ca -0.04 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.26 1oo2 s LEU 17 Cb -0.14 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1oo2 s LEU 17 CO 0.03 0.20 0.17 -0.62 0.23 0.00 0.00 176.35 176.36 1oo2 s ASP 18 N -1.86 5.66 0.00 2.29 -1.08 0.13 -0.69 116.67 121.12 1oo2 s ASP 18 Ca 0.14 -0.51 0.30 0.00 -0.52 0.00 0.00 52.55 51.95 1oo2 s ASP 18 Cb -0.10 -2.03 1.41 0.00 -1.46 0.00 0.00 42.92 40.74 1oo2 s ASP 18 CO 0.05 -0.21 1.95 0.00 0.52 0.00 0.00 175.17 177.49 1oo2 n ALA 19 N 5.01 2.69 -0.04 3.66 0.00 0.17 -1.37 120.51 130.63 1oo2 n ALA 19 Ca -0.14 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 1oo2 n ALA 19 Cb 0.49 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 1oo2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oo2 n VAL 20 N -0.70 1.69 0.05 0.00 0.31 -1.26 -4.53 118.33 113.88 1oo2 n VAL 20 Ca 0.19 -0.45 0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1oo2 n VAL 20 Cb 0.24 -1.82 -0.07 0.00 -0.91 0.00 0.00 33.84 31.28 1oo2 n VAL 20 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1oo2 n LYS 21 N -3.79 0.63 -2.98 5.55 4.01 -1.24 -5.00 118.16 115.34 1oo2 n LYS 21 Ca -0.34 0.05 -0.12 0.00 -0.51 0.00 0.00 58.31 57.40 1oo2 n LYS 21 Cb 0.93 -1.72 0.05 0.00 -0.51 0.00 0.00 35.03 33.77 1oo2 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1oo2 n GLY 22 N 1.28 0.09 3.14 0.72 0.00 -0.47 -5.05 105.19 104.89 1oo2 n GLY 22 Ca -0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.18 0.26 0.80 2.61 -4.23 -1.21 -5.01 115.64 105.68 1oo2 s THR 23 Ca 0.20 -1.88 -0.13 0.00 -1.18 0.00 0.00 61.69 58.69 1oo2 s THR 23 Cb -0.09 -1.83 0.08 0.00 1.34 0.00 0.00 72.50 72.01 1oo2 s THR 23 CO 0.40 -0.70 1.20 -2.65 -0.54 0.00 0.00 174.62 172.33 1oo2 n PRO 24 N -0.03 0.21 -3.11 3.99 -0.02 -1.26 -0.69 135.00 134.09 1oo2 n PRO 24 Ca -0.09 0.15 -0.44 0.00 -2.02 0.00 0.00 63.50 61.09 1oo2 n PRO 24 Cb 0.62 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1oo2 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oo2 s ALA 25 N -2.10 3.40 0.49 3.55 0.00 -0.15 -4.55 121.76 122.39 1oo2 s ALA 25 Ca 0.74 -2.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 1oo2 s ALA 25 Cb -0.29 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1oo2 s ALA 25 CO 0.50 -2.30 0.80 0.20 0.00 0.00 0.00 175.76 174.96 1oo2 s GLY 26 N 3.45 1.51 -1.11 0.00 0.00 -1.26 -4.14 107.32 105.78 1oo2 s GLY 26 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1oo2 s GLY 26 CO 0.07 -0.31 0.00 1.44 0.00 0.00 0.00 173.10 174.31 1oo2 n SER 27 N -2.27 -4.38 -4.66 1.64 7.64 -0.04 -4.93 113.62 106.62 1oo2 n SER 27 Ca 0.01 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.73 1oo2 n SER 27 Cb 0.55 -2.81 -0.03 0.00 -1.01 0.00 0.00 64.21 60.91 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 -2.35 4.79 0.30 0.44 1.01 -1.26 -4.74 120.40 118.59 1oo2 s VAL 28 Ca 0.00 1.77 -0.25 0.00 0.00 0.00 0.00 61.98 63.50 1oo2 s VAL 28 Cb 0.00 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 1oo2 s VAL 28 CO 0.00 -0.07 0.89 0.00 0.00 0.00 0.00 175.10 175.92 1oo2 s ALA 29 N 2.70 3.26 0.08 5.51 0.00 -1.26 -1.02 121.76 131.04 1oo2 s ALA 29 Ca 0.40 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.73 1oo2 s ALA 29 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1oo2 s ALA 29 CO 0.09 0.21 0.15 -0.48 0.00 0.00 0.00 175.76 175.73 1oo2 s LEU 30 N -1.99 1.61 -0.05 0.00 0.05 0.04 -0.81 118.68 117.53 1oo2 s LEU 30 Ca 0.48 -0.72 0.03 0.00 0.05 0.00 0.00 54.13 53.96 1oo2 s LEU 30 Cb -0.19 0.88 0.01 0.00 -2.05 0.00 0.00 46.19 44.84 1oo2 s LEU 30 CO 0.23 -0.71 -0.13 -0.54 -0.55 0.00 0.00 176.35 174.66 1oo2 s LYS 31 N -3.87 1.58 -0.21 1.48 3.01 -0.35 -1.37 119.74 120.00 1oo2 s LYS 31 Ca 0.06 -0.43 -0.06 0.00 -1.01 0.00 0.00 55.97 54.53 1oo2 s LYS 31 Cb 0.05 -1.34 -0.03 0.00 -1.01 0.00 0.00 37.83 35.50 1oo2 s LYS 31 CO -0.11 0.08 0.04 0.08 0.51 0.00 0.00 175.35 175.95 1oo2 s VAL 32 N 0.47 4.26 0.11 3.17 1.01 0.40 -0.75 120.40 129.07 1oo2 s VAL 32 Ca -0.11 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1oo2 s VAL 32 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1oo2 s VAL 32 CO 0.03 0.40 -0.17 -0.44 0.00 0.00 0.00 175.10 174.92 1oo2 s SER 33 N 1.08 2.23 -0.07 3.32 0.01 0.34 -0.04 113.70 120.58 1oo2 s SER 33 Ca 0.03 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1oo2 s SER 33 Cb -0.14 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1oo2 s SER 33 CO 0.02 -0.05 -0.18 -1.58 0.41 0.00 0.00 173.24 171.87 1oo2 s GLN 34 N -2.26 2.68 0.24 12.44 0.74 0.11 -0.85 119.66 132.76 1oo2 s GLN 34 Ca 0.07 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 54.42 1oo2 s GLN 34 Cb -0.08 -2.35 -0.09 0.00 1.10 0.00 0.00 33.01 31.59 1oo2 s GLN 34 CO 0.04 0.47 1.30 0.21 -0.55 0.00 0.00 175.29 176.75 1oo2 s LYS 35 N -0.34 4.39 0.49 1.67 2.20 -0.04 -0.98 119.74 127.14 1oo2 s LYS 35 Ca 0.03 2.09 0.08 0.00 -0.36 0.00 0.00 55.97 57.81 1oo2 s LYS 35 Cb -0.13 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1oo2 s LYS 35 CO 0.02 -0.20 0.56 0.95 -0.36 0.00 0.00 175.35 176.32 1oo2 s THR 36 N -0.34 2.39 0.24 3.43 -4.23 0.79 -4.79 115.64 113.13 1oo2 s THR 36 Ca 0.54 -1.18 -0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1oo2 s THR 36 Cb -0.37 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.13 1oo2 s THR 36 CO 0.43 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.41 1oo2 h ALA 37 N 0.61 1.20 0.00 3.99 0.00 -1.96 -1.66 119.26 121.45 1oo2 h ALA 37 Ca -0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1oo2 h ALA 37 Cb 1.28 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1oo2 h ALA 37 CO 0.49 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 179.97 1oo2 n ASP 38 N -4.39 0.00 0.00 0.00 5.68 -1.26 -4.81 116.55 111.77 1oo2 n ASP 38 Ca 0.11 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1oo2 n ASP 38 Cb 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1oo2 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oo2 n GLY 39 N 0.54 1.05 1.45 6.12 0.00 -0.62 -5.05 105.19 108.68 1oo2 n GLY 39 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -1.87 3.19 -0.02 0.00 -1.26 -4.66 105.19 98.57 1oo2 n GLY 40 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.97 1.87 -0.15 1.61 0.52 -1.26 -0.15 118.94 119.41 1oo2 s TRP 41 Ca 0.29 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.95 1oo2 s TRP 41 Cb -0.02 -1.23 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 1oo2 s TRP 41 CO 0.21 -0.11 -0.15 -0.08 0.02 0.00 0.00 176.95 176.84 1oo2 s THR 42 N -0.23 2.76 0.03 2.01 -1.32 -0.16 -4.92 115.64 113.80 1oo2 s THR 42 Ca 0.02 -0.75 -0.30 0.00 -1.21 0.00 0.00 61.69 59.44 1oo2 s THR 42 Cb -0.10 -2.16 -0.06 0.00 -1.51 0.00 0.00 72.50 68.67 1oo2 s THR 42 CO 0.01 0.52 1.34 -1.58 -2.21 0.00 0.00 174.62 172.70 1oo2 s GLN 43 N 0.68 4.32 -0.01 7.08 0.74 -1.26 -0.71 119.66 130.51 1oo2 s GLN 43 Ca -0.07 1.92 0.09 0.00 0.05 0.00 0.00 55.36 57.35 1oo2 s GLN 43 Cb -0.16 -3.47 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 1oo2 s GLN 43 CO 0.02 -0.48 0.31 0.44 -0.55 0.00 0.00 175.29 175.03 1oo2 n ILE 44 N 4.39 0.00 -3.49 -2.34 -5.35 0.95 -4.93 119.36 108.58 1oo2 n ILE 44 Ca 0.12 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.20 1oo2 n ILE 44 Cb 0.44 0.66 -0.04 0.00 -1.74 0.00 0.00 39.64 38.96 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 -2.25 -1.74 0.07 -1.28 0.00 -0.98 -5.01 121.76 110.57 1oo2 s ALA 45 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1oo2 s ALA 45 Cb 0.07 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1oo2 s ALA 45 CO 0.39 -0.52 -0.05 0.95 0.00 0.00 0.00 175.76 176.53 1oo2 s THR 46 N -2.15 0.45 0.16 0.00 -4.23 -1.26 -0.45 115.64 108.16 1oo2 s THR 46 Ca -0.05 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 58.38 1oo2 s THR 46 Cb -0.00 -1.57 0.08 0.00 1.34 0.00 0.00 72.50 72.34 1oo2 s THR 46 CO 0.00 -0.92 1.04 -0.83 -0.54 0.00 0.00 174.62 173.37 1oo2 s GLY 47 N -2.94 0.00 -0.05 3.99 0.00 -0.47 -5.00 107.32 102.85 1oo2 s GLY 47 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1oo2 s GLY 47 CO -0.07 1.79 -0.02 0.14 0.00 0.00 0.00 173.10 174.94 1oo2 s VAL 48 N -2.44 0.39 0.58 1.40 1.01 -1.26 -0.78 120.40 119.30 1oo2 s VAL 48 Ca 0.19 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1oo2 s VAL 48 Cb -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1oo2 s VAL 48 CO 0.04 0.22 1.29 0.42 0.00 0.00 0.00 175.10 177.06 1oo2 s THR 49 N 1.30 2.27 0.43 3.92 -4.23 -0.19 -4.82 115.64 114.32 1oo2 s THR 49 Ca -0.05 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1oo2 s THR 49 Cb -0.13 -3.08 0.10 0.00 1.34 0.00 0.00 72.50 70.72 1oo2 s THR 49 CO -0.02 -0.02 0.59 -0.90 -0.54 0.00 0.00 174.62 173.72 1oo2 n ASP 50 N -1.41 0.17 0.00 3.99 3.85 -0.32 -0.86 116.55 121.97 1oo2 n ASP 50 Ca 0.13 -1.29 0.08 0.00 -0.71 0.00 0.00 54.79 52.99 1oo2 n ASP 50 Cb 0.47 -0.44 0.37 0.00 -1.35 0.00 0.00 41.12 40.18 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 -3.30 1.81 0.78 2.12 0.00 -1.26 -0.83 120.51 119.82 1oo2 n ALA 51 Ca -0.10 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1oo2 n ALA 51 Cb 0.27 -1.26 0.28 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.38 0.34 -1.68 0.00 -2.24 -1.26 -4.61 114.28 103.45 1oo2 n THR 52 Ca 0.06 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 1oo2 n THR 52 Cb 0.15 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.32 0.53 3.40 3.38 0.00 -0.01 -4.72 105.19 109.09 1oo2 n GLY 53 Ca 0.18 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.53 1.47 -0.19 1.61 2.02 -1.26 -1.02 118.70 117.81 1oo2 s GLU 54 Ca 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 54.97 53.25 1oo2 s GLU 54 Cb 0.00 -1.08 0.05 0.00 0.10 0.00 0.00 34.13 33.20 1oo2 s GLU 54 CO 0.00 0.05 -0.02 -1.50 0.02 0.00 0.00 175.26 173.82 1oo2 s ILE 55 N -3.05 0.98 0.42 -1.63 1.10 -1.26 -1.18 121.20 116.58 1oo2 s ILE 55 Ca 0.28 -0.76 -0.23 0.00 -0.51 0.00 0.00 60.65 59.43 1oo2 s ILE 55 Cb 0.03 -1.32 -0.09 0.00 0.15 0.00 0.00 42.46 41.24 1oo2 s ILE 55 CO 0.10 -0.07 1.05 -1.00 -2.11 0.00 0.00 174.94 172.91 1oo2 s HIS 56 N 1.66 3.20 -1.37 3.50 3.76 -1.26 -3.70 115.29 121.08 1oo2 s HIS 56 Ca -0.02 1.63 -0.09 0.00 -0.15 0.00 0.00 55.06 56.43 1oo2 s HIS 56 Cb -0.17 -3.12 0.01 0.00 1.11 0.00 0.00 32.58 30.42 1oo2 s HIS 56 CO -0.07 -0.68 1.17 0.09 -0.85 0.00 0.00 174.74 174.40 1oo2 n ASN 57 N -0.27 -6.22 0.06 1.40 5.03 -1.26 -4.90 115.26 109.11 1oo2 n ASN 57 Ca 0.06 -0.56 -0.11 0.00 0.87 0.00 0.00 54.58 54.84 1oo2 n ASN 57 Cb 0.50 -4.96 -0.05 0.00 -1.02 0.00 0.00 39.78 34.25 1oo2 n ASN 57 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1oo2 h LEU 58 N -2.66 -0.43 -8.14 3.41 6.46 -1.80 -3.44 115.31 108.71 1oo2 h LEU 58 Ca -0.57 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.13 1oo2 h LEU 58 Cb 1.37 0.18 -0.14 0.00 -0.73 0.00 0.00 40.66 41.33 1oo2 h LEU 58 CO 0.57 -0.21 -0.53 0.27 -0.62 0.00 0.00 178.44 177.92 1oo2 s ILE 59 N -6.13 0.14 0.39 4.05 -5.25 -1.26 -4.79 121.20 108.35 1oo2 s ILE 59 Ca -0.15 -1.59 0.04 0.00 -0.99 0.00 0.00 60.65 57.96 1oo2 s ILE 59 Cb 0.08 -1.65 -0.00 0.00 2.95 0.00 0.00 42.46 43.83 1oo2 s ILE 59 CO 0.66 -0.65 0.57 0.42 -1.79 0.00 0.00 174.94 174.15 1oo2 s THR 60 N -3.94 3.96 0.26 8.37 -4.23 -1.26 -4.51 115.64 114.29 1oo2 s THR 60 Ca 0.12 -0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1oo2 s THR 60 Cb 0.06 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.76 1oo2 s THR 60 CO -0.06 -0.22 1.67 -0.33 -0.54 0.00 0.00 174.62 175.14 1oo2 h GLU 61 N 0.65 0.23 0.00 3.99 5.08 -1.94 -1.82 114.58 120.76 1oo2 h GLU 61 Ca -0.46 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1oo2 h GLU 61 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1oo2 h GLU 61 CO 0.54 0.15 -0.28 1.96 -1.00 0.00 0.00 179.01 180.39 1oo2 h GLN 62 N 0.23 0.00 -0.62 2.33 7.50 -2.02 -2.46 115.11 120.08 1oo2 h GLN 62 Ca 0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.62 1oo2 h GLN 62 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.39 1oo2 h GLN 62 CO -0.58 0.28 0.00 0.00 -1.50 0.00 0.00 178.83 177.02 1oo2 n GLN 63 N -3.33 3.00 -3.01 1.46 10.64 -0.70 -4.51 117.38 120.93 1oo2 n GLN 63 Ca 0.01 -2.21 -0.26 0.00 -1.83 0.00 0.00 57.00 52.71 1oo2 n GLN 63 Cb 0.51 -1.70 -0.04 0.00 -0.86 0.00 0.00 30.24 28.15 1oo2 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1oo2 n PHE 64 N 0.90 3.49 -1.43 2.61 7.35 -0.93 -4.90 117.46 124.56 1oo2 n PHE 64 Ca 0.20 -3.98 -0.29 0.00 -0.76 0.00 0.00 57.45 52.62 1oo2 n PHE 64 Cb 0.68 -0.48 0.17 0.00 0.35 0.00 0.00 39.48 40.20 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 -3.25 0.40 0.53 -7.13 0.04 -1.26 -4.99 135.00 119.34 1oo2 s PRO 65 Ca 0.47 0.14 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 1oo2 s PRO 65 Cb 0.28 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.99 1oo2 s PRO 65 CO -0.12 -2.67 1.32 0.00 0.04 0.00 0.00 177.00 175.56 1oo2 n ALA 66 N -4.07 1.44 0.00 8.56 0.00 -1.26 -4.91 120.51 120.28 1oo2 n ALA 66 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1oo2 n ALA 66 Cb 0.59 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1oo2 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oo2 n GLY 67 N 0.80 0.30 3.79 0.00 0.00 -1.05 -5.00 105.19 104.04 1oo2 n GLY 67 Ca 0.10 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.46 5.00 0.11 1.61 1.01 -1.26 -1.03 120.40 124.37 1oo2 s VAL 68 Ca 0.00 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.04 1oo2 s VAL 68 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1oo2 s VAL 68 CO 0.00 0.48 -0.15 -0.31 0.00 0.00 0.00 175.10 175.12 1oo2 s TYR 69 N -0.47 1.38 -0.06 5.22 1.51 -0.12 -0.86 117.35 123.96 1oo2 s TYR 69 Ca 0.26 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1oo2 s TYR 69 Cb -0.17 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1oo2 s TYR 69 CO 0.14 0.13 -0.10 0.50 -1.11 0.00 0.00 175.55 175.10 1oo2 s ARG 70 N -2.34 1.44 -0.20 -0.62 3.52 -0.03 -1.17 118.95 119.55 1oo2 s ARG 70 Ca 0.06 -0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1oo2 s ARG 70 Cb -0.07 -1.24 0.01 0.00 -1.56 0.00 0.00 34.95 32.10 1oo2 s ARG 70 CO 0.03 0.02 -0.14 0.08 -0.81 0.00 0.00 175.30 174.47 1oo2 s VAL 71 N 0.65 2.49 -0.23 7.11 1.01 0.09 -0.50 120.40 131.03 1oo2 s VAL 71 Ca -0.13 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1oo2 s VAL 71 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1oo2 s VAL 71 CO 0.03 0.47 0.07 -0.70 0.00 0.00 0.00 175.10 174.96 1oo2 s GLU 72 N 1.34 3.76 -0.19 2.72 2.12 0.07 -0.87 118.70 127.64 1oo2 s GLU 72 Ca 0.04 -0.43 -0.07 0.00 0.36 0.00 0.00 54.97 54.87 1oo2 s GLU 72 Cb -0.14 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1oo2 s GLU 72 CO -0.09 -0.05 0.05 -0.06 -0.54 0.00 0.00 175.26 174.56 1oo2 s PHE 73 N 1.25 3.16 -1.25 5.30 0.08 0.37 -1.21 117.98 125.68 1oo2 s PHE 73 Ca 0.05 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 1oo2 s PHE 73 Cb -0.14 -2.10 0.16 0.00 -0.57 0.00 0.00 43.02 40.37 1oo2 s PHE 73 CO 0.04 -0.01 1.66 -3.47 -0.10 0.00 0.00 175.22 173.34 1oo2 n ASP 74 N 3.89 5.12 0.18 1.36 2.03 0.01 -1.35 116.55 127.79 1oo2 n ASP 74 Ca -0.17 -3.03 0.06 0.00 0.52 0.00 0.00 54.79 52.17 1oo2 n ASP 74 Cb 0.52 -1.54 0.26 0.00 -0.72 0.00 0.00 41.12 39.64 1oo2 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1oo2 h THR 75 N 4.27 0.77 -0.43 5.18 1.35 -1.86 -3.17 112.91 119.02 1oo2 h THR 75 Ca 0.36 -1.65 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 1oo2 h THR 75 Cb 0.76 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 1oo2 h THR 75 CO 1.44 0.36 0.24 0.50 -0.25 0.00 0.00 175.52 177.81 1oo2 h LYS 76 N 0.00 0.60 -0.49 4.72 3.64 -1.73 -1.36 116.57 121.95 1oo2 h LYS 76 Ca -0.00 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 1oo2 h LYS 76 Cb 1.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1oo2 h LYS 76 CO 0.05 0.47 -0.15 0.00 -2.27 0.00 0.00 179.45 177.55 1oo2 h ALA 77 N 1.09 0.81 -0.33 5.00 0.00 -1.87 -0.63 119.26 123.34 1oo2 h ALA 77 Ca 0.15 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1oo2 h ALA 77 Cb 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1oo2 h ALA 77 CO -0.03 0.66 -0.02 -0.92 0.00 0.00 0.00 179.25 178.94 1oo2 h TYR 78 N 0.83 -0.06 -0.16 0.00 3.20 -1.44 0.03 116.97 119.35 1oo2 h TYR 78 Ca 0.12 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 1oo2 h TYR 78 Cb 0.70 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1oo2 h TYR 78 CO 0.04 -0.08 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.48 1oo2 h TRP 79 N 0.06 0.83 -0.50 -3.82 4.06 -0.89 -2.42 115.95 113.27 1oo2 h TRP 79 Ca 0.16 -0.34 -0.03 0.00 2.06 0.00 0.00 58.89 60.74 1oo2 h TRP 79 Cb 0.23 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1oo2 h TRP 79 CO -0.26 1.12 0.17 1.15 -3.56 0.00 0.00 178.44 177.07 1oo2 h THR 80 N 0.30 1.19 0.00 1.49 2.02 -0.88 0.10 112.91 117.14 1oo2 h THR 80 Ca -0.02 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1oo2 h THR 80 Cb 1.14 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1oo2 h THR 80 CO 0.11 0.25 0.00 0.78 0.37 0.00 0.00 175.52 177.03 1oo2 h ASN 81 N 0.72 0.00 -0.03 4.18 2.35 -0.92 -1.14 115.58 120.74 1oo2 h ASN 81 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1oo2 h ASN 81 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1oo2 h ASN 81 CO -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 1oo2 n GLN 82 N -3.08 1.40 -0.96 0.81 1.13 0.16 -4.92 117.38 111.92 1oo2 n GLN 82 Ca 0.02 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.50 1oo2 n GLN 82 Cb 0.39 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.28 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 1.08 0.41 3.75 1.08 0.00 -0.43 -5.06 105.19 106.02 1oo2 n GLY 83 Ca 0.20 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.90 5.38 -0.45 1.61 0.01 -0.07 -4.99 113.70 112.30 1oo2 s SER 84 Ca 0.00 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 1oo2 s SER 84 Cb 0.00 -1.40 0.07 0.00 0.21 0.00 0.00 66.02 64.90 1oo2 s SER 84 CO 0.00 0.16 0.33 -0.89 0.41 0.00 0.00 173.24 173.25 1oo2 s THR 85 N -1.42 4.84 0.65 1.44 2.01 -1.26 -2.89 115.64 119.01 1oo2 s THR 85 Ca 0.29 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1oo2 s THR 85 Cb -0.12 -3.89 0.05 0.00 0.01 0.00 0.00 72.50 68.55 1oo2 s THR 85 CO 0.21 -0.52 0.93 -2.16 -0.69 0.00 0.00 174.62 172.39 1oo2 s PRO 86 N 1.56 2.30 -0.16 4.92 0.04 -1.26 -4.95 135.00 137.44 1oo2 s PRO 86 Ca 0.04 -0.45 -0.26 0.00 0.04 0.00 0.00 61.00 60.36 1oo2 s PRO 86 Cb -0.23 -2.28 -0.23 0.00 0.04 0.00 0.00 34.50 31.79 1oo2 s PRO 86 CO 0.05 -1.07 0.57 0.35 0.04 0.00 0.00 177.00 176.94 1oo2 h PHE 87 N -0.38 0.00 -3.84 0.56 3.57 -1.52 -3.48 116.94 111.86 1oo2 h PHE 87 Ca -0.43 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.59 1oo2 h PHE 87 Cb 1.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1oo2 h PHE 87 CO 0.33 1.16 0.27 -1.01 -2.23 0.00 0.00 178.31 176.83 1oo2 s HIS 88 N -2.27 3.57 0.14 0.41 3.76 -1.26 -4.98 115.29 114.66 1oo2 s HIS 88 Ca -0.22 1.61 -0.04 0.00 -0.15 0.00 0.00 55.06 56.25 1oo2 s HIS 88 Cb 0.00 -2.80 -0.05 0.00 1.11 0.00 0.00 32.58 30.83 1oo2 s HIS 88 CO 0.65 0.15 1.34 0.93 -0.85 0.00 0.00 174.74 176.96 1oo2 h GLU 89 N 2.85 0.42 -3.03 1.40 4.39 -1.98 -3.37 114.58 115.26 1oo2 h GLU 89 Ca -0.48 -0.42 0.02 0.00 0.34 0.00 0.00 59.36 58.83 1oo2 h GLU 89 Cb 1.19 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.86 1oo2 h GLU 89 CO 0.64 1.07 0.20 0.14 -1.16 0.00 0.00 179.01 179.91 1oo2 s VAL 90 N -3.39 0.00 -0.13 3.13 -7.23 -1.26 -3.83 120.40 107.69 1oo2 s VAL 90 Ca -0.06 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1oo2 s VAL 90 Cb 0.09 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.49 1oo2 s VAL 90 CO 0.86 -0.01 -0.21 0.00 -0.31 0.00 0.00 175.10 175.43 1oo2 s ALA 91 N -3.85 2.17 -0.08 1.32 0.00 -0.46 -4.89 121.76 115.97 1oo2 s ALA 91 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1oo2 s ALA 91 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1oo2 s ALA 91 CO -0.02 -0.02 -0.08 -1.21 0.00 0.00 0.00 175.76 174.44 1oo2 s GLU 92 N 0.81 2.90 -0.16 0.00 0.41 -1.26 -0.48 118.70 120.92 1oo2 s GLU 92 Ca -0.08 -0.57 0.01 0.00 -0.41 0.00 0.00 54.97 53.92 1oo2 s GLU 92 Cb -0.16 -2.62 0.02 0.00 -1.78 0.00 0.00 34.13 29.60 1oo2 s GLU 92 CO -0.01 0.57 -0.15 0.08 -0.49 0.00 0.00 175.26 175.26 1oo2 s VAL 93 N -0.57 1.69 -0.13 2.63 1.01 -0.05 -4.98 120.40 120.00 1oo2 s VAL 93 Ca 0.08 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1oo2 s VAL 93 Cb -0.12 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1oo2 s VAL 93 CO 0.02 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.68 1oo2 s VAL 94 N 1.43 2.41 0.04 2.92 1.01 -1.26 -0.73 120.40 126.23 1oo2 s VAL 94 Ca 0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1oo2 s VAL 94 Cb -0.13 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1oo2 s VAL 94 CO -0.11 0.54 0.38 0.72 0.00 0.00 0.00 175.10 176.62 1oo2 s PHE 95 N 0.62 -0.22 -0.17 5.22 -0.71 -0.32 -4.99 117.98 117.41 1oo2 s PHE 95 Ca -0.10 0.15 -0.20 0.00 -1.04 0.00 0.00 56.93 55.74 1oo2 s PHE 95 Cb -0.16 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 1oo2 s PHE 95 CO 0.03 -0.54 0.59 0.34 -1.34 0.00 0.00 175.22 174.29 1oo2 s ASP 96 N -1.99 6.70 -0.07 1.98 -1.08 -1.26 -0.95 116.67 120.00 1oo2 s ASP 96 Ca -0.06 0.85 -0.04 0.00 -0.52 0.00 0.00 52.55 52.79 1oo2 s ASP 96 Cb -0.01 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1oo2 s ASP 96 CO -0.02 -0.18 0.10 0.00 0.52 0.00 0.00 175.17 175.58 1oo2 s ALA 97 N 1.47 3.67 0.04 3.66 0.00 -0.20 -4.98 121.76 125.43 1oo2 s ALA 97 Ca 0.28 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1oo2 s ALA 97 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1oo2 s ALA 97 CO 0.11 0.64 0.00 0.72 0.00 0.00 0.00 175.76 177.24 1oo2 n HIS 98 N 1.71 -0.08 0.00 0.00 -0.00 -1.26 -2.51 115.22 113.07 1oo2 n HIS 98 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 1oo2 n HIS 98 Cb 0.54 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 1oo2 n HIS 98 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1oo2 n PRO 99 N -2.85 0.00 0.11 -0.41 -0.02 -1.26 -4.47 135.00 126.10 1oo2 n PRO 99 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1oo2 n PRO 99 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1oo2 n PRO 99 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1oo2 h GLU 100 N 0.00 0.00 -2.06 -0.52 -0.00 -1.98 -3.40 114.58 106.61 1oo2 h GLU 100 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 59.36 58.73 1oo2 h GLU 100 Cb 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 28.75 28.36 1oo2 h GLU 100 CO 0.00 0.68 -0.31 0.41 -0.00 0.00 0.00 179.01 179.79 1oo2 n GLY 101 N 1.27 5.79 2.49 1.06 0.00 -1.26 -4.87 105.19 109.67 1oo2 n GLY 101 Ca 0.01 -2.73 -0.20 0.00 0.00 0.00 0.00 46.02 43.10 1oo2 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oo2 n HIS 102 N -0.30 -0.26 -2.28 1.61 8.25 -1.26 -4.92 115.22 116.06 1oo2 n HIS 102 Ca 0.37 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.41 1oo2 n HIS 102 Cb 0.43 -3.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 1oo2 n HIS 102 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1oo2 s GLY 103 N -2.55 2.31 0.30 -1.41 0.00 -1.26 -4.94 107.32 99.76 1oo2 s GLY 103 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 44.72 45.85 1oo2 s GLY 103 CO 0.00 2.13 -0.13 0.30 0.00 0.00 0.00 173.10 175.40 1oo2 s HIS 104 N 0.68 2.39 -0.08 1.90 3.76 -1.26 -4.54 115.29 118.14 1oo2 s HIS 104 Ca 0.59 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 55.17 1oo2 s HIS 104 Cb -0.34 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1oo2 s HIS 104 CO 0.33 0.65 -0.19 0.71 -0.85 0.00 0.00 174.74 175.38 1oo2 s TYR 105 N -2.52 2.07 -0.15 1.40 1.51 0.06 -1.50 117.35 118.23 1oo2 s TYR 105 Ca 0.31 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1oo2 s TYR 105 Cb -0.03 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1oo2 s TYR 105 CO 0.16 -0.33 -0.21 0.99 -1.11 0.00 0.00 175.55 175.06 1oo2 s THR 106 N 0.38 2.15 -0.40 -0.71 2.01 -0.14 -0.14 115.64 118.79 1oo2 s THR 106 Ca -0.15 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.76 1oo2 s THR 106 Cb -0.16 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1oo2 s THR 106 CO 0.06 0.54 0.29 -0.76 -0.69 0.00 0.00 174.62 174.07 1oo2 s LEU 107 N 0.89 5.06 -0.00 4.42 1.43 0.22 -0.98 118.68 129.72 1oo2 s LEU 107 Ca -0.05 -0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 1oo2 s LEU 107 Cb -0.15 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1oo2 s LEU 107 CO -0.03 -0.43 0.32 0.00 0.23 0.00 0.00 176.35 176.43 1oo2 s ALA 108 N 1.68 3.78 -0.04 4.21 0.00 -0.22 -1.29 121.76 129.88 1oo2 s ALA 108 Ca 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1oo2 s ALA 108 Cb -0.19 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.76 1oo2 s ALA 108 CO 0.10 0.57 0.07 -1.17 0.00 0.00 0.00 175.76 175.33 1oo2 s LEU 109 N -1.42 0.37 -0.25 0.00 2.96 -0.15 -1.59 118.68 118.59 1oo2 s LEU 109 Ca 0.25 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1oo2 s LEU 109 Cb -0.14 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.50 1oo2 s LEU 109 CO 0.13 -0.22 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.71 1oo2 s LEU 110 N 1.88 3.20 -0.12 -0.68 2.96 0.07 -0.78 118.68 125.21 1oo2 s LEU 110 Ca 0.01 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1oo2 s LEU 110 Cb -0.12 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1oo2 s LEU 110 CO -0.03 -0.09 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.13 1oo2 s LEU 111 N 1.44 3.45 0.14 -0.68 1.43 0.13 -1.50 118.68 123.09 1oo2 s LEU 111 Ca 0.03 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1oo2 s LEU 111 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1oo2 s LEU 111 CO -0.02 0.28 -0.11 -0.44 0.23 0.00 0.00 176.35 176.28 1oo2 s SER 112 N -0.29 1.84 0.37 2.29 0.01 -0.14 -0.65 113.70 117.13 1oo2 s SER 112 Ca 0.06 -0.95 0.14 0.00 1.31 0.00 0.00 55.95 56.52 1oo2 s SER 112 Cb -0.12 -0.03 0.99 0.00 0.21 0.00 0.00 66.02 67.07 1oo2 s SER 112 CO 0.02 -0.27 1.78 -0.65 0.41 0.00 0.00 173.24 174.53 1oo2 h PRO 113 N 3.01 0.49 0.00 12.44 0.11 -1.99 -2.60 132.00 143.46 1oo2 h PRO 113 Ca -0.37 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1oo2 h PRO 113 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1oo2 h PRO 113 CO 0.59 0.32 -0.02 1.19 -0.21 0.00 0.00 178.00 179.88 1oo2 n PHE 114 N -4.67 0.00 -3.57 0.65 3.72 -1.26 -1.20 117.46 111.12 1oo2 n PHE 114 Ca 0.24 -0.98 -0.15 0.00 -0.05 0.00 0.00 57.45 56.52 1oo2 n PHE 114 Cb 0.77 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 39.11 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 -2.83 -0.47 -0.00 4.37 0.15 -0.98 -4.94 113.70 108.99 1oo2 s SER 115 Ca 0.31 0.29 -0.07 0.00 0.70 0.00 0.00 55.95 57.17 1oo2 s SER 115 Cb 0.27 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1oo2 s SER 115 CO 0.03 -0.68 0.14 -0.72 1.20 0.00 0.00 173.24 173.21 1oo2 s TYR 116 N -2.12 0.02 -0.15 3.44 -0.85 -1.26 -0.97 117.35 115.46 1oo2 s TYR 116 Ca -0.07 -0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1oo2 s TYR 116 Cb -0.01 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1oo2 s TYR 116 CO 0.01 -0.27 -0.07 0.99 -1.52 0.00 0.00 175.55 174.69 1oo2 s THR 117 N -1.26 3.57 -0.05 -3.49 2.01 -0.56 -4.97 115.64 110.90 1oo2 s THR 117 Ca -0.13 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1oo2 s THR 117 Cb -0.07 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.90 1oo2 s THR 117 CO 0.02 0.50 -0.14 0.28 -0.69 0.00 0.00 174.62 174.59 1oo2 s THR 118 N 0.37 1.19 0.22 -0.82 -1.32 -1.26 -0.75 115.64 113.28 1oo2 s THR 118 Ca -0.07 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 59.88 1oo2 s THR 118 Cb -0.15 -1.05 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 1oo2 s THR 118 CO 0.04 0.36 0.02 -0.89 -2.21 0.00 0.00 174.62 171.93 1oo2 s THR 119 N 0.29 0.85 0.00 5.08 2.01 -0.62 -5.01 115.64 118.25 1oo2 s THR 119 Ca -0.08 -2.01 0.06 0.00 0.31 0.00 0.00 61.69 59.97 1oo2 s THR 119 Cb -0.12 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1oo2 s THR 119 CO 0.02 -0.30 -0.18 0.00 -0.69 0.00 0.00 174.62 173.47 1oo2 s ALA 120 N -3.55 1.51 -0.23 7.40 0.00 -1.26 -1.05 121.76 124.58 1oo2 s ALA 120 Ca 0.29 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1oo2 s ALA 120 Cb 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1oo2 s ALA 120 CO 0.08 0.36 -0.05 0.08 0.00 0.00 0.00 175.76 176.23 1oo2 s VAL 121 N -0.54 3.14 -0.21 0.00 1.01 -0.15 -4.99 120.40 118.66 1oo2 s VAL 121 Ca 0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1oo2 s VAL 121 Cb -0.07 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1oo2 s VAL 121 CO 0.00 0.33 -0.08 -0.69 0.00 0.00 0.00 175.10 174.66 1oo2 s VAL 122 N 1.41 3.01 0.00 2.92 1.01 -1.26 -0.97 120.40 126.53 1oo2 s VAL 122 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1oo2 s VAL 122 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1oo2 s VAL 122 CO -0.04 0.43 0.00 -1.54 0.00 0.00 0.00 175.10 173.95 1oo2 n SER 123 N 4.74 -0.25 0.00 3.32 3.41 -0.56 -4.98 113.62 119.31 1oo2 n SER 123 Ca -0.19 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1oo2 n SER 123 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1oo2 n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68