#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn0 h PRO 11 N 0.00 0.00 -3.99 0.00 0.13 -1.89 -3.41 132.00 122.84 1sn0 h PRO 11 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1sn0 h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1sn0 h PRO 11 CO 0.00 0.00 -0.78 -1.17 -0.23 0.00 0.00 178.00 175.82 1sn0 s LEU 12 N -4.83 1.76 0.22 1.56 2.96 -1.26 -0.37 118.68 118.74 1sn0 s LEU 12 Ca 0.08 -0.89 0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1sn0 s LEU 12 Cb 0.10 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 1sn0 s LEU 12 CO 0.54 -0.25 -0.20 -0.04 -1.32 0.00 0.00 176.35 175.08 1sn0 s MET 13 N 1.64 1.52 0.11 1.98 -1.94 0.11 -4.63 119.30 118.09 1sn0 s MET 13 Ca -0.02 -1.61 0.06 0.00 -1.71 0.00 0.00 55.69 52.41 1sn0 s MET 13 Cb -0.17 -1.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 1sn0 s MET 13 CO -0.07 0.33 -0.14 0.14 -0.01 0.00 0.00 175.02 175.26 1sn0 s VAL 14 N -2.20 1.29 -0.23 -6.03 -7.23 -1.26 -0.40 120.40 104.33 1sn0 s VAL 14 Ca 0.24 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1sn0 s VAL 14 Cb -0.06 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.58 1sn0 s VAL 14 CO 0.11 -0.34 0.20 -0.75 -0.31 0.00 0.00 175.10 174.01 1sn0 s LYS 15 N -2.37 0.20 -0.19 4.82 2.47 -0.65 -4.29 119.74 119.73 1sn0 s LYS 15 Ca 0.06 -0.05 -0.05 0.00 -1.56 0.00 0.00 55.97 54.37 1sn0 s LYS 15 Cb -0.07 -1.18 -0.03 0.00 -1.46 0.00 0.00 37.83 35.10 1sn0 s LYS 15 CO 0.03 -0.80 0.01 0.42 0.16 0.00 0.00 175.35 175.16 1sn0 s ILE 16 N 2.26 4.14 0.04 5.43 1.01 -0.38 -0.90 121.20 132.79 1sn0 s ILE 16 Ca 0.07 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1sn0 s ILE 16 Cb -0.15 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1sn0 s ILE 16 CO -0.21 0.44 -0.17 -0.76 0.00 0.00 0.00 174.94 174.25 1sn0 s LEU 17 N 0.77 2.68 -0.39 2.97 1.43 0.43 -0.31 118.68 126.26 1sn0 s LEU 17 Ca 0.01 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1sn0 s LEU 17 Cb -0.14 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1sn0 s LEU 17 CO 0.02 0.26 0.41 -0.62 0.23 0.00 0.00 176.35 176.65 1sn0 s ASP 18 N -1.46 6.19 0.02 2.29 -1.08 0.60 -0.53 116.67 122.70 1sn0 s ASP 18 Ca 0.15 -0.49 0.26 0.00 -0.52 0.00 0.00 52.55 51.95 1sn0 s ASP 18 Cb -0.11 -2.22 1.08 0.00 -1.46 0.00 0.00 42.92 40.22 1sn0 s ASP 18 CO 0.06 -0.49 1.82 0.00 0.52 0.00 0.00 175.17 177.08 1sn0 n ALA 19 N 5.52 2.18 -0.08 3.66 0.00 0.28 -0.77 120.51 131.30 1sn0 n ALA 19 Ca -0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1sn0 n ALA 19 Cb 0.48 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1sn0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn0 h VAL 20 N 0.00 1.23 0.00 0.00 2.07 -1.94 -3.39 116.25 114.23 1sn0 h VAL 20 Ca 0.00 -2.14 -0.06 0.00 0.82 0.00 0.00 66.70 65.32 1sn0 h VAL 20 Cb 0.46 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1sn0 h VAL 20 CO 0.00 0.42 -0.67 0.11 0.02 0.00 0.00 177.57 177.45 1sn0 h LYS 21 N -1.00 0.00 -2.67 1.57 1.57 -1.93 -3.48 116.57 110.63 1sn0 h LYS 21 Ca -0.15 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.43 1sn0 h LYS 21 Cb 1.06 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.41 1sn0 h LYS 21 CO -0.09 0.20 -0.31 0.41 -0.57 0.00 0.00 179.45 179.09 1sn0 n GLY 22 N 1.21 0.13 3.19 3.86 0.00 0.05 -5.04 105.19 108.58 1sn0 n GLY 22 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1sn0 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn0 s THR 23 N -2.92 0.77 0.85 2.61 -4.23 -1.20 -4.98 115.64 106.53 1sn0 s THR 23 Ca 0.18 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 1sn0 s THR 23 Cb -0.08 -1.75 0.11 0.00 1.34 0.00 0.00 72.50 72.12 1sn0 s THR 23 CO 0.23 -0.82 1.18 -2.84 -0.54 0.00 0.00 174.62 171.83 1sn0 s PRO 24 N -3.83 1.40 -0.49 3.99 0.02 -1.26 -0.29 135.00 134.53 1sn0 s PRO 24 Ca 0.14 1.67 -0.19 0.00 0.02 0.00 0.00 61.00 62.63 1sn0 s PRO 24 Cb 0.05 -1.76 0.05 0.00 0.02 0.00 0.00 34.50 32.86 1sn0 s PRO 24 CO -0.03 -2.38 0.61 0.00 -0.33 0.00 0.00 177.00 174.87 1sn0 s ALA 25 N -2.36 3.39 0.28 -1.55 0.00 0.58 -4.54 121.76 117.57 1sn0 s ALA 25 Ca 0.70 -1.67 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 1sn0 s ALA 25 Cb -0.26 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1sn0 s ALA 25 CO 0.53 -1.95 0.68 0.20 0.00 0.00 0.00 175.76 175.23 1sn0 s GLY 26 N 2.54 2.35 -1.16 0.00 0.00 -1.26 -4.19 107.32 105.61 1sn0 s GLY 26 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 1sn0 s GLY 26 CO 0.13 0.17 0.83 1.44 0.00 0.00 0.00 173.10 175.66 1sn0 n SER 27 N -0.18 -5.50 -4.63 1.64 7.64 0.40 -4.95 113.62 108.05 1sn0 n SER 27 Ca 0.02 -0.38 -0.40 0.00 1.01 0.00 0.00 58.87 59.12 1sn0 n SER 27 Cb 0.53 -4.18 -0.07 0.00 -1.01 0.00 0.00 64.21 59.48 1sn0 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn0 s VAL 28 N -3.20 5.05 0.11 0.44 1.01 -1.26 -4.76 120.40 117.78 1sn0 s VAL 28 Ca 0.41 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 1sn0 s VAL 28 Cb -0.18 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1sn0 s VAL 28 CO 0.51 0.08 1.02 0.00 0.00 0.00 0.00 175.10 176.71 1sn0 s ALA 29 N 2.29 3.28 0.11 5.51 0.00 -1.26 -1.79 121.76 129.90 1sn0 s ALA 29 Ca 0.23 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1sn0 s ALA 29 Cb -0.16 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1sn0 s ALA 29 CO 0.09 -0.14 0.05 -0.48 0.00 0.00 0.00 175.76 175.28 1sn0 s LEU 30 N 0.14 1.92 -0.01 0.00 0.05 -0.30 -0.33 118.68 120.14 1sn0 s LEU 30 Ca 0.49 -1.12 -0.08 0.00 0.05 0.00 0.00 54.13 53.47 1sn0 s LEU 30 Cb -0.25 0.33 0.01 0.00 -2.05 0.00 0.00 46.19 44.23 1sn0 s LEU 30 CO 0.31 -0.70 0.17 -1.59 -0.55 0.00 0.00 176.35 173.99 1sn0 s LYS 31 N -4.01 0.47 -0.12 1.48 -2.85 -0.59 -1.88 119.74 112.25 1sn0 s LYS 31 Ca 0.19 -0.26 0.02 0.00 -1.00 0.00 0.00 55.97 54.91 1sn0 s LYS 31 Cb 0.07 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1sn0 s LYS 31 CO -0.02 -0.11 -0.19 0.08 0.10 0.00 0.00 175.35 175.21 1sn0 s VAL 32 N -1.14 2.53 0.09 1.79 1.01 0.33 -1.32 120.40 123.70 1sn0 s VAL 32 Ca -0.12 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1sn0 s VAL 32 Cb -0.06 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1sn0 s VAL 32 CO 0.02 0.54 -0.20 -0.44 0.00 0.00 0.00 175.10 175.02 1sn0 s SER 33 N 0.36 2.44 -0.07 3.32 0.01 0.37 -0.55 113.70 119.58 1sn0 s SER 33 Ca -0.15 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.47 1sn0 s SER 33 Cb -0.17 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 1sn0 s SER 33 CO 0.07 0.05 -0.15 -1.58 0.41 0.00 0.00 173.24 172.05 1sn0 s GLN 34 N -1.83 2.71 0.07 12.44 0.74 0.71 -0.93 119.66 133.57 1sn0 s GLN 34 Ca 0.06 -0.70 -0.31 0.00 0.05 0.00 0.00 55.36 54.45 1sn0 s GLN 34 Cb -0.10 -2.42 -0.06 0.00 1.10 0.00 0.00 33.01 31.53 1sn0 s GLN 34 CO 0.04 0.52 1.26 0.21 -0.55 0.00 0.00 175.29 176.76 1sn0 s LYS 35 N -0.45 4.39 0.54 1.67 2.20 -0.15 -1.03 119.74 126.92 1sn0 s LYS 35 Ca 0.05 1.85 0.02 0.00 -0.36 0.00 0.00 55.97 57.54 1sn0 s LYS 35 Cb -0.12 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1sn0 s LYS 35 CO 0.02 -0.32 0.76 0.95 -0.36 0.00 0.00 175.35 176.39 1sn0 s THR 36 N 1.18 2.67 0.36 3.43 -4.23 0.23 -4.76 115.64 114.53 1sn0 s THR 36 Ca 0.60 -0.72 0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1sn0 s THR 36 Cb -0.31 -2.96 0.35 0.00 1.34 0.00 0.00 72.50 70.92 1sn0 s THR 36 CO 0.29 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.18 1sn0 h ALA 37 N 0.12 1.97 -0.29 3.99 0.00 -1.96 -0.29 119.26 122.81 1sn0 h ALA 37 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sn0 h ALA 37 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sn0 h ALA 37 CO 0.50 -0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1sn0 n ASP 38 N -4.64 1.62 0.00 0.00 5.68 -1.26 -4.89 116.55 113.06 1sn0 n ASP 38 Ca 0.22 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1sn0 n ASP 38 Cb 0.66 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1sn0 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sn0 n GLY 39 N 0.94 1.07 2.02 6.12 0.00 -0.12 -5.06 105.19 110.17 1sn0 n GLY 39 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1sn0 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn0 n GLY 40 N -2.00 -0.68 3.24 -0.02 0.00 -1.26 -4.74 105.19 99.74 1sn0 n GLY 40 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1sn0 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn0 s TRP 41 N -2.19 2.14 -0.13 1.61 0.52 -1.26 -0.60 118.94 119.03 1sn0 s TRP 41 Ca 0.38 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.99 1sn0 s TRP 41 Cb -0.01 -1.40 0.01 0.00 -1.15 0.00 0.00 33.47 30.92 1sn0 s TRP 41 CO 0.26 -0.12 -0.21 -0.08 0.02 0.00 0.00 176.95 176.82 1sn0 s THR 42 N -0.30 1.95 -0.04 2.01 -1.32 -0.20 -4.93 115.64 112.81 1sn0 s THR 42 Ca 0.02 -0.92 -0.30 0.00 -1.21 0.00 0.00 61.69 59.28 1sn0 s THR 42 Cb -0.11 -1.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.12 1sn0 s THR 42 CO 0.01 0.53 1.25 -1.58 -2.21 0.00 0.00 174.62 172.62 1sn0 s GLN 43 N 0.77 4.34 -0.00 7.08 0.74 -1.26 -0.21 119.66 131.12 1sn0 s GLN 43 Ca -0.09 1.74 0.07 0.00 0.05 0.00 0.00 55.36 57.14 1sn0 s GLN 43 Cb -0.16 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.31 1sn0 s GLN 43 CO -0.00 -0.47 0.26 0.44 -0.55 0.00 0.00 175.29 174.97 1sn0 n ILE 44 N 4.60 0.00 -3.51 -2.34 -5.35 0.28 -4.94 119.36 108.10 1sn0 n ILE 44 Ca 0.11 -0.29 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 1sn0 n ILE 44 Cb 0.46 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.14 1sn0 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn0 s ALA 45 N -1.91 -1.83 0.10 -1.28 0.00 -1.14 -5.00 121.76 110.70 1sn0 s ALA 45 Ca 0.01 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 1sn0 s ALA 45 Cb 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1sn0 s ALA 45 CO 0.29 -0.61 0.05 0.95 0.00 0.00 0.00 175.76 176.43 1sn0 s THR 46 N -2.73 0.15 -0.04 0.00 -4.23 -1.26 -0.51 115.64 107.02 1sn0 s THR 46 Ca 0.03 -1.79 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 1sn0 s THR 46 Cb -0.01 -1.79 0.10 0.00 1.34 0.00 0.00 72.50 72.15 1sn0 s THR 46 CO -0.07 -0.67 1.31 -0.83 -0.54 0.00 0.00 174.62 173.83 1sn0 s GLY 47 N -2.98 -0.22 -0.00 3.99 0.00 -0.79 -4.99 107.32 102.33 1sn0 s GLY 47 Ca 0.16 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1sn0 s GLY 47 CO -0.04 4.44 -0.05 0.14 0.00 0.00 0.00 173.10 177.60 1sn0 s VAL 48 N -2.08 0.41 0.42 1.40 1.01 -1.26 -1.15 120.40 119.15 1sn0 s VAL 48 Ca 0.26 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 1sn0 s VAL 48 Cb 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 1sn0 s VAL 48 CO -0.02 0.12 1.08 0.42 0.00 0.00 0.00 175.10 176.70 1sn0 s THR 49 N -0.12 3.56 0.15 3.92 -4.23 -0.74 -4.77 115.64 113.42 1sn0 s THR 49 Ca 0.02 1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.68 1sn0 s THR 49 Cb -0.02 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.26 1sn0 s THR 49 CO -0.00 -0.01 0.21 -0.90 -0.54 0.00 0.00 174.62 173.37 1sn0 n ASP 50 N -0.24 0.02 0.03 3.99 5.68 -0.01 -0.45 116.55 125.56 1sn0 n ASP 50 Ca 0.06 -1.08 0.06 0.00 -0.50 0.00 0.00 54.79 53.34 1sn0 n ASP 50 Cb 0.49 -0.16 0.29 0.00 -1.14 0.00 0.00 41.12 40.60 1sn0 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn0 n ALA 51 N -3.13 1.49 0.45 2.12 0.00 -1.26 -1.42 120.51 118.76 1sn0 n ALA 51 Ca -0.03 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1sn0 n ALA 51 Cb 0.09 -1.21 0.23 0.00 0.00 0.00 0.00 19.45 18.56 1sn0 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sn0 n THR 52 N -1.65 0.45 -1.08 0.00 -2.24 -1.26 -4.61 114.28 103.88 1sn0 n THR 52 Ca 0.02 -0.69 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 1sn0 n THR 52 Cb 0.14 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1sn0 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn0 n GLY 53 N 1.46 0.61 3.59 3.38 0.00 -0.50 -4.72 105.19 109.00 1sn0 n GLY 53 Ca 0.19 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1sn0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn0 s GLU 54 N -2.07 1.91 -0.16 1.61 2.02 -1.26 -1.25 118.70 119.49 1sn0 s GLU 54 Ca 0.00 -2.07 -0.04 0.00 0.02 0.00 0.00 54.97 52.89 1sn0 s GLU 54 Cb 0.00 -1.57 0.06 0.00 0.10 0.00 0.00 34.13 32.72 1sn0 s GLU 54 CO 0.00 -0.04 0.06 0.42 0.02 0.00 0.00 175.26 175.72 1sn0 s ILE 55 N -2.76 0.17 0.22 -1.63 1.01 -1.26 -0.83 121.20 116.12 1sn0 s ILE 55 Ca 0.35 -0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 1sn0 s ILE 55 Cb 0.09 -0.72 -0.08 0.00 0.01 0.00 0.00 42.46 41.76 1sn0 s ILE 55 CO 0.17 -0.19 0.77 -1.00 0.00 0.00 0.00 174.94 174.69 1sn0 s HIS 56 N 2.02 3.73 -1.34 3.97 3.76 -1.26 -4.03 115.29 122.14 1sn0 s HIS 56 Ca 0.01 1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 56.39 1sn0 s HIS 56 Cb -0.16 -2.70 0.02 0.00 1.11 0.00 0.00 32.58 30.85 1sn0 s HIS 56 CO -0.08 0.37 0.87 0.09 -0.85 0.00 0.00 174.74 175.15 1sn0 n ASN 57 N 0.95 -2.67 0.01 1.40 5.03 -1.26 -4.89 115.26 113.82 1sn0 n ASN 57 Ca -0.03 -0.74 -0.12 0.00 0.87 0.00 0.00 54.58 54.56 1sn0 n ASN 57 Cb 0.50 -4.36 -0.08 0.00 -1.02 0.00 0.00 39.78 34.83 1sn0 n ASN 57 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1sn0 h LEU 58 N -2.02 0.04 -8.13 3.41 5.85 -1.82 -3.46 115.31 109.18 1sn0 h LEU 58 Ca -0.60 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 57.84 1sn0 h LEU 58 Cb 1.36 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.25 1sn0 h LEU 58 CO 0.57 0.20 -0.34 0.27 -0.34 0.00 0.00 178.44 178.80 1sn0 s ILE 59 N -5.50 0.06 0.35 4.05 -4.36 -1.26 -4.83 121.20 109.72 1sn0 s ILE 59 Ca -0.14 -1.45 0.08 0.00 -0.26 0.00 0.00 60.65 58.88 1sn0 s ILE 59 Cb 0.05 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 1sn0 s ILE 59 CO 0.67 -0.29 0.30 0.42 0.24 0.00 0.00 174.94 176.29 1sn0 s THR 60 N -3.98 3.30 0.37 8.37 -4.23 -1.26 -4.54 115.64 113.67 1sn0 s THR 60 Ca 0.19 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.40 1sn0 s THR 60 Cb 0.04 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 71.06 1sn0 s THR 60 CO 0.01 -0.14 1.90 -0.33 -0.54 0.00 0.00 174.62 175.53 1sn0 h GLU 61 N 1.22 0.66 -0.89 3.99 5.08 -2.00 -1.14 114.58 121.50 1sn0 h GLU 61 Ca -0.44 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1sn0 h GLU 61 Cb 1.26 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1sn0 h GLU 61 CO 0.58 0.43 0.57 0.37 -1.00 0.00 0.00 179.01 179.97 1sn0 h GLN 62 N 0.68 1.06 -0.00 2.33 4.15 -2.03 -1.57 115.11 119.73 1sn0 h GLN 62 Ca 0.40 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1sn0 h GLN 62 Cb 0.59 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1sn0 h GLN 62 CO -0.16 0.70 -0.02 1.04 -1.93 0.00 0.00 178.83 178.46 1sn0 n GLN 63 N -4.54 0.60 -2.85 1.69 6.02 -0.46 -4.39 117.38 113.45 1sn0 n GLN 63 Ca 0.12 -0.05 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1sn0 n GLN 63 Cb 0.11 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1sn0 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sn0 n PHE 64 N -1.15 3.92 -1.62 1.08 7.35 -0.59 -4.94 117.46 121.50 1sn0 n PHE 64 Ca 0.16 -3.81 -0.30 0.00 -0.76 0.00 0.00 57.45 52.75 1sn0 n PHE 64 Cb 0.23 -0.46 0.09 0.00 0.35 0.00 0.00 39.48 39.69 1sn0 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn0 s PRO 65 N -3.52 2.04 0.46 -7.13 0.04 -1.26 -4.65 135.00 120.98 1sn0 s PRO 65 Ca 0.49 0.52 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 1sn0 s PRO 65 Cb 0.30 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.81 1sn0 s PRO 65 CO -0.15 -1.62 0.77 0.00 0.04 0.00 0.00 177.00 176.04 1sn0 n ALA 66 N -3.41 -0.61 0.00 8.56 0.00 -1.26 -4.87 120.51 118.91 1sn0 n ALA 66 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sn0 n ALA 66 Cb 0.57 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1sn0 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn0 n GLY 67 N 1.50 -1.25 3.78 0.00 0.00 -0.99 -4.98 105.19 103.25 1sn0 n GLY 67 Ca 0.11 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 1sn0 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn0 s VAL 68 N -2.18 5.36 0.16 1.61 1.01 -1.26 0.12 120.40 125.22 1sn0 s VAL 68 Ca 0.00 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.43 1sn0 s VAL 68 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1sn0 s VAL 68 CO 0.00 0.49 -0.16 -0.31 0.00 0.00 0.00 175.10 175.12 1sn0 s TYR 69 N -0.16 1.66 -0.09 5.22 1.51 0.44 -0.98 117.35 124.97 1sn0 s TYR 69 Ca 0.14 -0.52 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1sn0 s TYR 69 Cb -0.13 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1sn0 s TYR 69 CO 0.03 0.28 -0.06 0.50 -1.11 0.00 0.00 175.55 175.19 1sn0 s ARG 70 N -2.97 1.20 -0.21 -0.62 3.52 -0.11 -1.52 118.95 118.24 1sn0 s ARG 70 Ca 0.15 -0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1sn0 s ARG 70 Cb -0.04 -1.29 -0.01 0.00 -1.56 0.00 0.00 34.95 32.05 1sn0 s ARG 70 CO 0.05 -0.21 -0.04 0.08 -0.81 0.00 0.00 175.30 174.37 1sn0 s VAL 71 N 1.54 3.47 -0.19 7.11 1.01 0.14 -0.48 120.40 133.00 1sn0 s VAL 71 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1sn0 s VAL 71 Cb -0.13 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1sn0 s VAL 71 CO -0.05 0.42 -0.04 -0.70 0.00 0.00 0.00 175.10 174.74 1sn0 s GLU 72 N 1.37 3.52 -0.15 2.72 2.12 -0.44 -0.54 118.70 127.30 1sn0 s GLU 72 Ca 0.04 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 1sn0 s GLU 72 Cb -0.14 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1sn0 s GLU 72 CO -0.02 0.02 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.60 1sn0 s PHE 73 N 0.94 2.96 -1.33 5.30 0.40 0.38 -1.55 117.98 125.08 1sn0 s PHE 73 Ca -0.00 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.74 1sn0 s PHE 73 Cb -0.15 -1.94 0.08 0.00 0.51 0.00 0.00 43.02 41.53 1sn0 s PHE 73 CO 0.01 -0.12 1.86 -3.47 0.70 0.00 0.00 175.22 174.20 1sn0 n ASP 74 N 3.62 4.67 0.13 1.36 2.03 0.55 -1.23 116.55 127.68 1sn0 n ASP 74 Ca -0.18 -2.92 -0.02 0.00 0.52 0.00 0.00 54.79 52.19 1sn0 n ASP 74 Cb 0.52 -1.67 0.15 0.00 -0.72 0.00 0.00 41.12 39.40 1sn0 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1sn0 h THR 75 N 4.80 1.45 0.05 5.18 1.35 -1.86 -3.10 112.91 120.79 1sn0 h THR 75 Ca 0.46 -2.16 -0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1sn0 h THR 75 Cb 0.78 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1sn0 h THR 75 CO 1.58 0.62 -0.04 0.50 -0.25 0.00 0.00 175.52 177.93 1sn0 h LYS 76 N 0.02 -0.09 -0.97 4.72 3.64 -1.74 -1.24 116.57 120.92 1sn0 h LYS 76 Ca -0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1sn0 h LYS 76 Cb 1.13 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1sn0 h LYS 76 CO 0.08 -0.06 0.63 0.00 -2.27 0.00 0.00 179.45 177.84 1sn0 h ALA 77 N 0.86 1.28 -0.29 5.00 0.00 -1.87 0.55 119.26 124.79 1sn0 h ALA 77 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sn0 h ALA 77 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1sn0 h ALA 77 CO 0.00 0.51 0.15 -0.92 0.00 0.00 0.00 179.25 178.99 1sn0 h TYR 78 N 1.22 0.28 -0.23 0.00 3.20 -1.34 -0.59 116.97 119.51 1sn0 h TYR 78 Ca 0.39 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.09 1sn0 h TYR 78 Cb 0.01 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1sn0 h TYR 78 CO -0.01 0.16 -0.54 -1.49 -1.64 0.00 0.00 178.16 174.64 1sn0 h TRP 79 N 0.32 0.99 -0.95 -3.82 4.06 -0.57 -2.31 115.95 113.67 1sn0 h TRP 79 Ca 0.12 -0.37 0.09 0.00 2.06 0.00 0.00 58.89 60.78 1sn0 h TRP 79 Cb 0.03 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 27.95 1sn0 h TRP 79 CO -0.09 1.18 0.61 1.15 -3.56 0.00 0.00 178.44 177.73 1sn0 h THR 80 N 0.51 1.01 0.00 1.49 2.02 -0.80 0.06 112.91 117.20 1sn0 h THR 80 Ca -0.00 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1sn0 h THR 80 Cb 1.15 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1sn0 h THR 80 CO 0.12 0.19 -0.64 -1.13 0.37 0.00 0.00 175.52 174.43 1sn0 h ASN 81 N 1.02 0.00 1.28 4.18 -0.73 -0.93 -2.94 115.58 117.45 1sn0 h ASN 81 Ca 0.43 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.60 1sn0 h ASN 81 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1sn0 h ASN 81 CO -0.19 0.64 -0.01 0.00 -0.37 0.00 0.00 177.43 177.51 1sn0 n GLN 82 N -3.66 0.16 -0.04 6.67 1.13 -0.50 -4.92 117.38 116.21 1sn0 n GLN 82 Ca -0.01 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1sn0 n GLN 82 Cb 0.66 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1sn0 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sn0 n GLY 83 N 1.39 0.83 3.81 1.08 0.00 -0.43 -5.08 105.19 106.77 1sn0 n GLY 83 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1sn0 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sn0 s SER 84 N -2.33 5.86 -0.34 1.61 0.01 -0.12 -4.99 113.70 113.40 1sn0 s SER 84 Ca 0.00 0.23 -0.18 0.00 1.31 0.00 0.00 55.95 57.31 1sn0 s SER 84 Cb 0.00 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1sn0 s SER 84 CO 0.00 0.30 0.53 -0.89 0.41 0.00 0.00 173.24 173.59 1sn0 s THR 85 N -1.16 5.01 0.44 1.44 2.01 -1.26 -3.34 115.64 118.78 1sn0 s THR 85 Ca 0.21 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.69 1sn0 s THR 85 Cb -0.12 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1sn0 s THR 85 CO 0.12 -0.19 0.62 -2.16 -0.69 0.00 0.00 174.62 172.32 1sn0 s PRO 86 N 2.42 2.93 -0.14 4.92 0.04 -1.26 -4.86 135.00 139.05 1sn0 s PRO 86 Ca 0.20 -0.81 -0.19 0.00 0.04 0.00 0.00 61.00 60.24 1sn0 s PRO 86 Cb -0.15 -2.65 -0.17 0.00 0.04 0.00 0.00 34.50 31.57 1sn0 s PRO 86 CO 0.13 -0.27 0.41 0.35 0.04 0.00 0.00 177.00 177.66 1sn0 h PHE 87 N 0.50 0.00 -3.84 0.56 3.57 -1.21 -3.48 116.94 113.04 1sn0 h PHE 87 Ca -0.44 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.58 1sn0 h PHE 87 Cb 1.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1sn0 h PHE 87 CO 0.42 0.78 0.35 -1.01 -2.23 0.00 0.00 178.31 176.63 1sn0 s HIS 88 N -2.10 3.77 0.25 0.41 3.76 -1.26 -4.96 115.29 115.17 1sn0 s HIS 88 Ca -0.16 1.82 0.09 0.00 -0.15 0.00 0.00 55.06 56.66 1sn0 s HIS 88 Cb -0.00 -2.96 0.27 0.00 1.11 0.00 0.00 32.58 31.00 1sn0 s HIS 88 CO 0.48 0.24 1.56 0.93 -0.85 0.00 0.00 174.74 177.10 1sn0 h GLU 89 N 3.48 0.04 -2.25 1.40 4.39 -1.98 -3.37 114.58 116.29 1sn0 h GLU 89 Ca -0.46 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.35 1sn0 h GLU 89 Cb 1.20 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.72 1sn0 h GLU 89 CO 0.66 0.69 0.51 0.54 -1.16 0.00 0.00 179.01 180.25 1sn0 s VAL 90 N -3.53 0.00 -0.18 3.13 0.11 -1.26 -3.85 120.40 114.82 1sn0 s VAL 90 Ca -0.02 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1sn0 s VAL 90 Cb 0.12 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1sn0 s VAL 90 CO 0.78 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 172.42 1sn0 s ALA 91 N -3.12 2.58 -0.17 1.54 0.00 -0.36 -4.89 121.76 117.33 1sn0 s ALA 91 Ca 0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1sn0 s ALA 91 Cb -0.01 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 1sn0 s ALA 91 CO -0.06 -0.22 -0.06 -1.21 0.00 0.00 0.00 175.76 174.21 1sn0 s GLU 92 N 1.12 3.51 -0.22 0.00 0.41 -1.26 -0.47 118.70 121.78 1sn0 s GLU 92 Ca 0.01 -0.60 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1sn0 s GLU 92 Cb -0.14 -2.86 0.04 0.00 -1.78 0.00 0.00 34.13 29.39 1sn0 s GLU 92 CO -0.04 0.11 -0.15 0.08 -0.49 0.00 0.00 175.26 174.78 1sn0 s VAL 93 N 0.67 2.06 -0.12 2.63 1.01 0.30 -4.99 120.40 121.96 1sn0 s VAL 93 Ca -0.04 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1sn0 s VAL 93 Cb -0.15 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1sn0 s VAL 93 CO 0.02 0.23 -0.22 -0.69 0.00 0.00 0.00 175.10 174.44 1sn0 s VAL 94 N 1.21 2.17 0.06 2.92 1.01 -1.26 -0.69 120.40 125.82 1sn0 s VAL 94 Ca -0.02 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 1sn0 s VAL 94 Cb -0.17 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.41 1sn0 s VAL 94 CO -0.09 0.55 0.52 0.72 0.00 0.00 0.00 175.10 176.80 1sn0 s PHE 95 N 0.58 -0.42 -0.01 5.22 -0.71 -0.58 -4.99 117.98 117.08 1sn0 s PHE 95 Ca -0.12 0.43 -0.24 0.00 -1.04 0.00 0.00 56.93 55.95 1sn0 s PHE 95 Cb -0.17 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1sn0 s PHE 95 CO 0.03 -0.66 0.74 0.34 -1.34 0.00 0.00 175.22 174.34 1sn0 s ASP 96 N -2.07 7.10 -0.07 1.98 -1.08 -1.26 -0.42 116.67 120.86 1sn0 s ASP 96 Ca -0.04 1.33 -0.00 0.00 -0.52 0.00 0.00 52.55 53.31 1sn0 s ASP 96 Cb -0.01 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 38.98 1sn0 s ASP 96 CO -0.03 -0.06 -0.03 0.00 0.52 0.00 0.00 175.17 175.57 1sn0 s ALA 97 N 0.41 3.14 -0.50 3.66 0.00 0.31 -4.96 121.76 123.83 1sn0 s ALA 97 Ca 0.39 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.55 1sn0 s ALA 97 Cb -0.19 -1.34 0.23 0.00 0.00 0.00 0.00 23.12 21.81 1sn0 s ALA 97 CO 0.21 0.59 0.55 0.72 0.00 0.00 0.00 175.76 177.82 1sn0 n HIS 98 N 2.10 1.01 1.48 0.00 -0.00 -1.26 -2.34 115.22 116.20 1sn0 n HIS 98 Ca -0.18 -3.76 0.15 0.00 -0.00 0.00 0.00 57.72 53.93 1sn0 n HIS 98 Cb 0.53 -0.32 0.69 0.00 -0.00 0.00 0.00 29.99 30.88 1sn0 n HIS 98 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1sn0 n PRO 99 N 1.57 0.67 -1.77 -0.41 -0.02 -1.26 -4.77 135.00 129.01 1sn0 n PRO 99 Ca 0.25 -0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 1sn0 n PRO 99 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1sn0 n PRO 99 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1sn0 s GLU 100 N -2.44 3.37 0.00 -0.52 0.41 -1.26 -2.54 118.70 115.73 1sn0 s GLU 100 Ca 0.31 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 56.78 1sn0 s GLU 100 Cb 0.20 -4.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.29 1sn0 s GLU 100 CO 0.46 -1.82 0.00 0.41 -0.49 0.00 0.00 175.26 173.82 1sn0 n GLY 101 N 5.41 2.00 2.92 -1.39 0.00 -1.26 -4.67 105.19 108.20 1sn0 n GLY 101 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1sn0 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sn0 n HIS 102 N -0.16 -1.69 -2.47 1.61 8.25 -1.10 -4.93 115.22 114.74 1sn0 n HIS 102 Ca 0.00 0.34 -0.43 0.00 -0.26 0.00 0.00 57.72 57.37 1sn0 n HIS 102 Cb 0.00 -3.72 -0.02 0.00 1.12 0.00 0.00 29.99 27.36 1sn0 n HIS 102 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1sn0 s ARG 103 N -5.57 3.85 0.26 -0.41 6.06 -1.05 -5.02 118.95 117.07 1sn0 s ARG 103 Ca 0.23 1.06 -0.16 0.00 -2.50 0.00 0.00 55.73 54.36 1sn0 s ARG 103 Cb -0.11 -3.89 -0.08 0.00 0.06 0.00 0.00 34.95 30.93 1sn0 s ARG 103 CO 0.29 -1.20 0.70 -1.01 -2.50 0.00 0.00 175.30 171.57 1sn0 s HIS 104 N 4.45 3.51 -0.10 5.12 3.76 -0.08 -4.66 115.29 127.29 1sn0 s HIS 104 Ca 0.54 1.25 0.02 0.00 -0.15 0.00 0.00 55.06 56.72 1sn0 s HIS 104 Cb -0.14 -2.54 0.01 0.00 1.11 0.00 0.00 32.58 31.03 1sn0 s HIS 104 CO 0.25 0.24 -0.16 0.71 -0.85 0.00 0.00 174.74 174.92 1sn0 s TYR 105 N -1.73 2.01 -0.16 1.40 1.51 0.51 -1.56 117.35 119.33 1sn0 s TYR 105 Ca 0.47 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1sn0 s TYR 105 Cb -0.13 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1sn0 s TYR 105 CO 0.19 -0.46 -0.17 0.99 -1.11 0.00 0.00 175.55 174.99 1sn0 s THR 106 N 0.88 2.42 -0.49 -0.71 2.01 -0.25 0.07 115.64 119.56 1sn0 s THR 106 Ca -0.09 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1sn0 s THR 106 Cb -0.15 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.42 1sn0 s THR 106 CO -0.00 0.52 0.46 -0.76 -0.69 0.00 0.00 174.62 174.16 1sn0 s LEU 107 N 0.97 5.54 -0.00 4.42 1.02 0.46 -1.41 118.68 129.68 1sn0 s LEU 107 Ca -0.03 -1.29 -0.21 0.00 0.02 0.00 0.00 54.13 52.62 1sn0 s LEU 107 Cb -0.15 -2.24 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 1sn0 s LEU 107 CO -0.04 -0.73 0.62 0.00 0.02 0.00 0.00 176.35 176.22 1sn0 s ALA 108 N 1.88 3.47 -0.06 4.21 0.00 -0.11 -1.64 121.76 129.51 1sn0 s ALA 108 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1sn0 s ALA 108 Cb -0.24 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1sn0 s ALA 108 CO 0.07 0.14 0.00 -1.17 0.00 0.00 0.00 175.76 174.81 1sn0 s LEU 109 N -0.13 0.76 -0.23 0.00 2.96 -0.08 -0.99 118.68 120.97 1sn0 s LEU 109 Ca 0.32 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1sn0 s LEU 109 Cb -0.18 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 1sn0 s LEU 109 CO 0.18 -0.16 0.02 -0.22 -1.32 0.00 0.00 176.35 174.84 1sn0 s LEU 110 N 1.65 3.19 -0.14 -0.68 2.96 -0.35 -0.43 118.68 124.89 1sn0 s LEU 110 Ca -0.00 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1sn0 s LEU 110 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1sn0 s LEU 110 CO -0.04 -0.02 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.16 1sn0 s LEU 111 N 1.51 3.15 0.11 -0.68 1.43 0.31 -1.40 118.68 123.12 1sn0 s LEU 111 Ca 0.06 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1sn0 s LEU 111 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1sn0 s LEU 111 CO 0.01 0.21 -0.10 -0.44 0.23 0.00 0.00 176.35 176.25 1sn0 s SER 112 N 0.14 1.56 0.36 2.29 0.01 0.44 -0.55 113.70 117.95 1sn0 s SER 112 Ca -0.02 -0.86 0.11 0.00 1.31 0.00 0.00 55.95 56.49 1sn0 s SER 112 Cb -0.14 0.00 0.90 0.00 0.21 0.00 0.00 66.02 66.99 1sn0 s SER 112 CO 0.03 -0.27 1.83 -0.65 0.41 0.00 0.00 173.24 174.59 1sn0 h PRO 113 N 3.37 0.59 -0.12 12.44 0.11 -1.99 -2.51 132.00 143.88 1sn0 h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1sn0 h PRO 113 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1sn0 h PRO 113 CO 0.55 0.39 0.00 1.19 -0.21 0.00 0.00 178.00 179.92 1sn0 n PHE 114 N -4.60 0.39 -3.59 0.65 3.01 -1.26 -0.61 117.46 111.45 1sn0 n PHE 114 Ca 0.20 -0.87 -0.16 0.00 1.01 0.00 0.00 57.45 57.63 1sn0 n PHE 114 Cb 0.60 -0.19 -0.07 0.00 -0.01 0.00 0.00 39.48 39.81 1sn0 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn0 s SER 115 N -2.22 -0.66 0.04 4.37 0.15 -0.95 -4.94 113.70 109.50 1sn0 s SER 115 Ca 0.32 0.99 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 1sn0 s SER 115 Cb 0.27 0.92 -0.01 0.00 -1.71 0.00 0.00 66.02 65.48 1sn0 s SER 115 CO 0.06 -0.43 0.09 -0.72 1.20 0.00 0.00 173.24 173.43 1sn0 s TYR 116 N -0.49 0.23 -0.11 3.44 -0.85 -1.26 -0.42 117.35 117.89 1sn0 s TYR 116 Ca -0.06 -0.58 0.03 0.00 -0.52 0.00 0.00 57.07 55.94 1sn0 s TYR 116 Cb -0.02 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.16 1sn0 s TYR 116 CO 0.06 -0.39 -0.21 0.99 -1.52 0.00 0.00 175.55 174.48 1sn0 s THR 117 N -2.90 1.90 -0.28 -3.49 2.01 -0.50 -4.97 115.64 107.42 1sn0 s THR 117 Ca -0.02 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1sn0 s THR 117 Cb 0.01 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.86 1sn0 s THR 117 CO -0.06 0.52 0.02 0.28 -0.69 0.00 0.00 174.62 174.70 1sn0 s THR 118 N 0.65 3.47 0.20 -0.82 -1.32 -1.26 -1.21 115.64 115.35 1sn0 s THR 118 Ca -0.12 -0.91 0.11 0.00 -1.21 0.00 0.00 61.69 59.56 1sn0 s THR 118 Cb -0.16 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 67.97 1sn0 s THR 118 CO 0.03 0.08 -0.21 -0.89 -2.21 0.00 0.00 174.62 171.42 1sn0 s THR 119 N 1.41 2.52 -0.00 5.08 2.01 -0.16 -5.00 115.64 121.49 1sn0 s THR 119 Ca 0.01 -2.02 0.06 0.00 0.31 0.00 0.00 61.69 60.05 1sn0 s THR 119 Cb -0.17 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1sn0 s THR 119 CO -0.00 -0.15 -0.20 0.00 -0.69 0.00 0.00 174.62 173.57 1sn0 s ALA 120 N -1.79 1.70 -0.17 7.40 0.00 -1.26 -0.94 121.76 126.70 1sn0 s ALA 120 Ca 0.23 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1sn0 s ALA 120 Cb -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1sn0 s ALA 120 CO 0.11 0.41 -0.17 0.08 0.00 0.00 0.00 175.76 176.19 1sn0 s VAL 121 N -0.55 1.84 -0.27 0.00 1.01 -0.50 -4.99 120.40 116.94 1sn0 s VAL 121 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1sn0 s VAL 121 Cb -0.08 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1sn0 s VAL 121 CO -0.00 0.49 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 1sn0 s VAL 122 N 1.38 2.64 -2.94 2.92 1.01 -1.26 -1.10 120.40 123.05 1sn0 s VAL 122 Ca 0.05 -1.37 0.24 0.00 0.00 0.00 0.00 61.98 60.90 1sn0 s VAL 122 Cb -0.13 -2.47 0.23 0.00 0.00 0.00 0.00 36.38 34.01 1sn0 s VAL 122 CO -0.12 0.02 1.32 -0.24 0.00 0.00 0.00 175.10 176.08