#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 -3.46 0.00 0.13 -1.89 -3.43 132.00 123.35 1sn0 h PRO 11 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1sn0 h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1sn0 h PRO 11 CO 0.00 0.02 -0.76 -1.17 -0.23 0.00 0.00 178.00 175.86 1sn0 s LEU 12 N -6.22 1.02 0.28 1.56 2.96 -1.26 -0.59 118.68 116.44 1sn0 s LEU 12 Ca 0.06 -0.77 0.11 0.00 -0.22 0.00 0.00 54.13 53.32 1sn0 s LEU 12 Cb 0.06 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 1sn0 s LEU 12 CO 0.66 -0.31 -0.19 -0.04 -1.32 0.00 0.00 176.35 175.15 1sn0 s MET 13 N 1.91 1.67 0.11 1.98 -1.94 0.60 -4.58 119.30 119.05 1sn0 s MET 13 Ca -0.00 -1.77 0.05 0.00 -1.71 0.00 0.00 55.69 52.26 1sn0 s MET 13 Cb -0.17 -1.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.92 1sn0 s MET 13 CO -0.08 0.30 -0.13 0.14 -0.01 0.00 0.00 175.02 175.24 1sn0 s VAL 14 N -2.56 1.20 -0.19 -6.03 -7.23 -1.26 -0.20 120.40 104.14 1sn0 s VAL 14 Ca 0.30 -1.62 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 1sn0 s VAL 14 Cb -0.04 -1.40 0.07 0.00 0.56 0.00 0.00 36.38 35.58 1sn0 s VAL 14 CO 0.15 -0.41 0.14 -0.75 -0.31 0.00 0.00 175.10 173.92 1sn0 s LYS 15 N -2.51 0.11 -0.14 4.82 2.47 -0.27 -4.28 119.74 119.94 1sn0 s LYS 15 Ca 0.06 -0.01 -0.01 0.00 -1.56 0.00 0.00 55.97 54.45 1sn0 s LYS 15 Cb -0.05 -1.57 -0.02 0.00 -1.46 0.00 0.00 37.83 34.73 1sn0 s LYS 15 CO 0.02 -0.69 -0.11 0.42 0.16 0.00 0.00 175.35 175.16 1sn0 s ILE 16 N 2.20 3.22 0.12 5.43 1.01 -0.46 -0.60 121.20 132.13 1sn0 s ILE 16 Ca 0.04 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.20 1sn0 s ILE 16 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1sn0 s ILE 16 CO -0.12 0.51 -0.23 -0.76 0.00 0.00 0.00 174.94 174.34 1sn0 s LEU 17 N 0.44 2.48 -0.32 2.97 1.43 -0.42 -0.21 118.68 125.06 1sn0 s LEU 17 Ca -0.08 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.26 1sn0 s LEU 17 Cb -0.15 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1sn0 s LEU 17 CO 0.04 0.18 0.15 -0.62 0.23 0.00 0.00 176.35 176.33 1sn0 s ASP 18 N -2.08 5.50 0.00 2.29 -1.08 0.78 -0.98 116.67 121.10 1sn0 s ASP 18 Ca 0.16 -0.64 0.30 0.00 -0.52 0.00 0.00 52.55 51.84 1sn0 s ASP 18 Cb -0.10 -1.98 1.38 0.00 -1.46 0.00 0.00 42.92 40.76 1sn0 s ASP 18 CO 0.08 -0.23 1.96 0.00 0.52 0.00 0.00 175.17 177.50 1sn0 n ALA 19 N 4.96 2.62 -0.04 3.66 0.00 0.18 -0.69 120.51 131.20 1sn0 n ALA 19 Ca -0.14 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1sn0 n ALA 19 Cb 0.48 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 0.22 0.97 0.00 0.00 2.07 -1.93 -3.40 116.25 114.18 1sn0 h VAL 20 Ca 0.00 -2.30 -0.20 0.00 0.82 0.00 0.00 66.70 65.03 1sn0 h VAL 20 Cb 0.32 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1sn0 h VAL 20 CO 0.00 0.57 -1.58 0.29 0.02 0.00 0.00 177.57 176.87 1sn0 n LYS 21 N -4.10 0.63 -2.21 1.57 5.02 -1.21 -4.99 118.16 112.87 1sn0 n LYS 21 Ca -0.28 0.19 -0.01 0.00 -2.02 0.00 0.00 58.31 56.19 1sn0 n LYS 21 Cb 0.81 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1sn0 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sn0 n GLY 22 N 1.44 0.52 3.28 0.72 0.00 0.14 -5.06 105.19 106.23 1sn0 n GLY 22 Ca -0.13 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.40 0.98 0.90 2.61 -4.23 -1.20 -4.99 115.64 107.32 1sn0 s THR 23 Ca 0.01 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1sn0 s THR 23 Cb -0.01 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.86 1sn0 s THR 23 CO 0.01 -0.51 1.15 -2.84 -0.54 0.00 0.00 174.62 171.90 1sn0 s PRO 24 N -3.84 1.10 -0.53 3.99 0.02 -1.26 -0.16 135.00 134.32 1sn0 s PRO 24 Ca 0.23 1.57 -0.19 0.00 0.02 0.00 0.00 61.00 62.64 1sn0 s PRO 24 Cb 0.05 -1.73 0.07 0.00 0.02 0.00 0.00 34.50 32.91 1sn0 s PRO 24 CO 0.05 -2.58 0.62 0.00 -0.33 0.00 0.00 177.00 174.76 1sn0 s ALA 25 N -2.60 3.42 0.44 -1.55 0.00 0.71 -4.48 121.76 117.70 1sn0 s ALA 25 Ca 0.67 -1.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 1sn0 s ALA 25 Cb -0.23 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 1sn0 s ALA 25 CO 0.57 -2.08 0.87 0.20 0.00 0.00 0.00 175.76 175.33 1sn0 s GLY 26 N 2.97 2.08 -1.51 0.00 0.00 -1.26 -4.16 107.32 105.43 1sn0 s GLY 26 Ca 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 44.72 44.83 1sn0 s GLY 26 CO 0.10 0.27 0.75 1.44 0.00 0.00 0.00 173.10 175.66 1sn0 n SER 27 N -1.25 -6.21 -4.67 1.64 7.64 -0.44 -4.94 113.62 105.38 1sn0 n SER 27 Ca 0.05 -0.35 -0.39 0.00 1.01 0.00 0.00 58.87 59.18 1sn0 n SER 27 Cb 0.54 -4.98 -0.06 0.00 -1.01 0.00 0.00 64.21 58.70 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 -3.22 5.07 0.20 0.44 1.01 -1.26 -4.78 120.40 117.87 1sn0 s VAL 28 Ca 0.37 1.09 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 1sn0 s VAL 28 Cb -0.16 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1sn0 s VAL 28 CO 0.46 0.16 0.86 0.00 0.00 0.00 0.00 175.10 176.59 1sn0 s ALA 29 N 1.61 3.39 0.06 5.51 0.00 -1.26 -1.35 121.76 129.72 1sn0 s ALA 29 Ca 0.27 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1sn0 s ALA 29 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1sn0 s ALA 29 CO 0.11 0.25 0.06 -0.48 0.00 0.00 0.00 175.76 175.69 1sn0 s LEU 30 N -1.15 2.04 -0.01 0.00 0.05 -0.46 0.04 118.68 119.19 1sn0 s LEU 30 Ca 0.39 -0.78 0.03 0.00 0.05 0.00 0.00 54.13 53.81 1sn0 s LEU 30 Cb -0.25 0.51 -0.01 0.00 -2.05 0.00 0.00 46.19 44.40 1sn0 s LEU 30 CO 0.29 -0.60 -0.08 -0.75 -0.55 0.00 0.00 176.35 174.65 1sn0 s LYS 31 N -3.52 0.70 -0.16 1.48 2.20 -0.52 -1.67 119.74 118.24 1sn0 s LYS 31 Ca 0.03 -0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1sn0 s LYS 31 Cb 0.04 -0.68 -0.02 0.00 -1.51 0.00 0.00 37.83 35.67 1sn0 s LYS 31 CO -0.09 0.18 -0.07 0.08 -0.36 0.00 0.00 175.35 175.09 1sn0 s VAL 32 N -0.17 3.55 0.07 4.02 1.01 0.15 -1.04 120.40 128.00 1sn0 s VAL 32 Ca 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1sn0 s VAL 32 Cb -0.04 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1sn0 s VAL 32 CO -0.00 0.49 -0.16 -0.44 0.00 0.00 0.00 175.10 174.99 1sn0 s SER 33 N 0.53 1.87 -0.12 3.32 0.01 0.14 -0.88 113.70 118.57 1sn0 s SER 33 Ca -0.05 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 1sn0 s SER 33 Cb -0.15 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1sn0 s SER 33 CO 0.03 -0.02 -0.04 -1.58 0.41 0.00 0.00 173.24 172.03 1sn0 s GLN 34 N -1.66 3.29 0.28 12.44 0.74 0.96 -0.85 119.66 134.86 1sn0 s GLN 34 Ca 0.01 -0.52 -0.29 0.00 0.05 0.00 0.00 55.36 54.60 1sn0 s GLN 34 Cb -0.10 -2.79 -0.10 0.00 1.10 0.00 0.00 33.01 31.13 1sn0 s GLN 34 CO 0.02 0.44 1.37 0.21 -0.55 0.00 0.00 175.29 176.78 1sn0 s LYS 35 N -0.17 4.32 0.52 1.67 2.20 0.07 -0.63 119.74 127.71 1sn0 s LYS 35 Ca 0.03 2.24 0.03 0.00 -0.36 0.00 0.00 55.97 57.91 1sn0 s LYS 35 Cb -0.13 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1sn0 s LYS 35 CO 0.02 -0.30 0.72 0.95 -0.36 0.00 0.00 175.35 176.39 1sn0 s THR 36 N -0.51 2.73 0.46 3.43 -4.23 0.61 -4.78 115.64 113.34 1sn0 s THR 36 Ca 0.54 -0.77 0.17 0.00 -1.18 0.00 0.00 61.69 60.46 1sn0 s THR 36 Cb -0.40 -2.96 0.35 0.00 1.34 0.00 0.00 72.50 70.82 1sn0 s THR 36 CO 0.47 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.54 1sn0 h ALA 37 N 0.21 2.15 -0.29 3.99 0.00 -1.96 -0.50 119.26 122.87 1sn0 h ALA 37 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sn0 h ALA 37 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sn0 h ALA 37 CO 0.49 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1sn0 n ASP 38 N -4.45 2.11 0.00 0.00 5.75 -1.26 -4.89 116.55 113.80 1sn0 n ASP 38 Ca 0.10 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1sn0 n ASP 38 Cb 0.44 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1sn0 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sn0 n GLY 39 N 1.19 0.63 0.00 6.12 0.00 -0.19 -5.06 105.19 107.88 1sn0 n GLY 39 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.70 0.89 3.00 -0.02 0.00 -1.26 -4.78 105.19 100.33 1sn0 n GLY 40 Ca 0.00 -1.92 -0.15 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 0.84 0.59 -0.06 1.61 0.52 -1.26 -0.28 118.94 120.89 1sn0 s TRP 41 Ca 0.00 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 55.91 1sn0 s TRP 41 Cb 0.00 -0.36 0.01 0.00 -1.15 0.00 0.00 33.47 31.96 1sn0 s TRP 41 CO 0.00 -0.03 -0.16 -0.08 0.02 0.00 0.00 176.95 176.70 1sn0 s THR 42 N -0.58 1.38 -0.00 2.01 -1.32 0.19 -4.91 115.64 112.42 1sn0 s THR 42 Ca -0.02 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 1sn0 s THR 42 Cb -0.05 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1sn0 s THR 42 CO 0.00 0.41 1.01 -1.58 -2.21 0.00 0.00 174.62 172.25 1sn0 s GLN 43 N 0.41 4.53 -0.00 7.08 0.74 -1.26 -0.03 119.66 131.12 1sn0 s GLN 43 Ca -0.12 1.46 0.03 0.00 0.05 0.00 0.00 55.36 56.78 1sn0 s GLN 43 Cb -0.15 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1sn0 s GLN 43 CO 0.04 -0.11 0.09 0.44 -0.55 0.00 0.00 175.29 175.20 1sn0 n ILE 44 N 3.98 0.00 -3.55 -2.34 -5.35 -0.06 -4.94 119.36 107.10 1sn0 n ILE 44 Ca 0.07 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1sn0 n ILE 44 Cb 0.50 0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.83 -1.88 0.10 -1.28 0.00 -1.13 -5.00 121.76 110.75 1sn0 s ALA 45 Ca -0.00 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1sn0 s ALA 45 Cb 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1sn0 s ALA 45 CO 0.12 -0.38 -0.06 0.95 0.00 0.00 0.00 175.76 176.39 1sn0 s THR 46 N -1.43 0.66 0.05 0.00 -4.23 -1.26 0.34 115.64 109.77 1sn0 s THR 46 Ca -0.03 -1.93 -0.22 0.00 -1.18 0.00 0.00 61.69 58.34 1sn0 s THR 46 Cb -0.00 -1.68 0.07 0.00 1.34 0.00 0.00 72.50 72.23 1sn0 s THR 46 CO 0.02 -0.87 0.99 0.61 -0.54 0.00 0.00 174.62 174.83 1sn0 n GLY 47 N -0.04 0.45 2.84 3.99 0.00 -0.67 -5.00 105.19 106.76 1sn0 n GLY 47 Ca -0.12 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1sn0 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn0 s VAL 48 N -2.08 0.08 0.53 1.61 1.01 -1.26 -1.36 120.40 118.93 1sn0 s VAL 48 Ca 0.23 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1sn0 s VAL 48 Cb -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 1sn0 s VAL 48 CO 0.02 0.07 1.28 0.42 0.00 0.00 0.00 175.10 176.89 1sn0 s THR 49 N 0.53 2.44 0.00 3.92 -4.23 -0.46 -4.78 115.64 113.06 1sn0 s THR 49 Ca -0.05 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1sn0 s THR 49 Cb -0.07 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1sn0 s THR 49 CO -0.01 -0.01 0.00 -0.90 -0.54 0.00 0.00 174.62 173.15 1sn0 n ASP 50 N -0.99 0.00 0.08 3.99 5.68 0.21 -1.33 116.55 124.19 1sn0 n ASP 50 Ca 0.10 -0.95 0.10 0.00 -0.50 0.00 0.00 54.79 53.54 1sn0 n ASP 50 Cb 0.47 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.86 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 -3.00 1.59 0.70 2.12 0.00 -1.26 -1.52 120.51 119.15 1sn0 n ALA 51 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1sn0 n ALA 51 Cb 0.00 -1.31 0.26 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.96 0.35 -1.23 0.00 -2.24 -1.26 -4.62 114.28 103.32 1sn0 n THR 52 Ca 0.02 -0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 61.21 1sn0 n THR 52 Cb 0.19 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.37 0.44 3.47 3.38 0.00 -0.57 -4.70 105.19 108.57 1sn0 n GLY 53 Ca 0.18 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.49 1.65 -0.18 1.61 2.02 -1.26 -1.35 118.70 118.70 1sn0 s GLU 54 Ca 0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 54.97 53.12 1sn0 s GLU 54 Cb 0.00 -1.35 0.06 0.00 0.10 0.00 0.00 34.13 32.94 1sn0 s GLU 54 CO 0.00 0.07 0.03 0.42 0.02 0.00 0.00 175.26 175.80 1sn0 s ILE 55 N -2.87 0.50 0.24 -1.63 1.01 -1.26 -0.62 121.20 116.57 1sn0 s ILE 55 Ca 0.31 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 1sn0 s ILE 55 Cb 0.03 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 1sn0 s ILE 55 CO 0.14 -0.14 0.82 -1.00 0.00 0.00 0.00 174.94 174.76 1sn0 s HIS 56 N 1.88 3.75 -1.30 3.97 3.76 -1.26 -4.10 115.29 121.99 1sn0 s HIS 56 Ca -0.00 1.61 -0.03 0.00 -0.15 0.00 0.00 55.06 56.50 1sn0 s HIS 56 Cb -0.16 -2.78 0.01 0.00 1.11 0.00 0.00 32.58 30.76 1sn0 s HIS 56 CO -0.08 0.35 0.90 0.09 -0.85 0.00 0.00 174.74 175.15 1sn0 n ASN 57 N 0.94 -2.49 -0.02 1.40 4.13 -1.26 -4.91 115.26 113.04 1sn0 n ASN 57 Ca -0.02 -0.71 -0.11 0.00 1.68 0.00 0.00 54.58 55.42 1sn0 n ASN 57 Cb 0.50 -4.57 -0.06 0.00 -1.54 0.00 0.00 39.78 34.11 1sn0 n ASN 57 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1sn0 h LEU 58 N -2.01 0.15 -8.23 3.41 5.85 -1.81 -3.46 115.31 109.22 1sn0 h LEU 58 Ca -0.60 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 57.84 1sn0 h LEU 58 Cb 1.35 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.22 1sn0 h LEU 58 CO 0.55 0.28 -0.32 0.27 -0.34 0.00 0.00 178.44 178.88 1sn0 s ILE 59 N -5.52 0.04 0.42 4.05 -4.36 -1.26 -4.86 121.20 109.70 1sn0 s ILE 59 Ca -0.14 -1.52 0.08 0.00 -0.26 0.00 0.00 60.65 58.81 1sn0 s ILE 59 Cb 0.06 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.70 1sn0 s ILE 59 CO 0.69 -0.16 0.55 0.42 0.24 0.00 0.00 174.94 176.68 1sn0 s THR 60 N -4.02 3.00 0.32 8.37 -4.23 -1.26 -4.52 115.64 113.31 1sn0 s THR 60 Ca 0.23 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1sn0 s THR 60 Cb 0.03 -3.01 0.11 0.00 1.34 0.00 0.00 72.50 70.97 1sn0 s THR 60 CO 0.05 -0.01 1.81 -0.33 -0.54 0.00 0.00 174.62 175.61 1sn0 h GLU 61 N 0.69 0.41 -0.24 3.99 5.08 -1.98 -1.95 114.58 120.57 1sn0 h GLU 61 Ca -0.40 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1sn0 h GLU 61 Cb 1.28 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1sn0 h GLU 61 CO 0.46 0.57 -0.10 0.37 -1.00 0.00 0.00 179.01 179.31 1sn0 h GLN 62 N 0.38 0.39 -0.01 2.33 4.15 -2.03 -1.91 115.11 118.41 1sn0 h GLN 62 Ca 0.07 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1sn0 h GLN 62 Cb 0.51 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1sn0 h GLN 62 CO 0.03 0.50 0.00 1.04 -1.93 0.00 0.00 178.83 178.47 1sn0 n GLN 63 N -4.25 1.14 -3.04 1.69 6.02 -0.75 -4.45 117.38 113.74 1sn0 n GLN 63 Ca 0.00 -0.20 -0.25 0.00 -0.01 0.00 0.00 57.00 56.55 1sn0 n GLN 63 Cb 0.28 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 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 -0.73 2.98 -1.47 1.08 7.35 -0.72 -4.91 117.46 121.04 1sn0 n PHE 64 Ca 0.22 -3.96 -0.30 0.00 -0.76 0.00 0.00 57.45 52.65 1sn0 n PHE 64 Cb 0.15 -0.47 0.10 0.00 0.35 0.00 0.00 39.48 39.61 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 -3.10 1.84 0.45 -7.13 0.04 -1.26 -4.76 135.00 121.08 1sn0 s PRO 65 Ca 0.46 0.67 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1sn0 s PRO 65 Cb 0.29 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.85 1sn0 s PRO 65 CO -0.12 -1.80 1.13 0.00 0.04 0.00 0.00 177.00 176.26 1sn0 n ALA 66 N -3.56 0.70 0.00 8.56 0.00 -1.26 -4.90 120.51 120.06 1sn0 n ALA 66 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1sn0 n ALA 66 Cb 0.56 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.02 0.89 3.71 0.00 0.00 -0.91 -4.96 105.19 104.95 1sn0 n GLY 67 Ca 0.09 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.76 4.98 0.20 1.61 1.01 -1.26 0.40 120.40 125.58 1sn0 s VAL 68 Ca 0.00 1.68 0.10 0.00 0.00 0.00 0.00 61.98 63.76 1sn0 s VAL 68 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1sn0 s VAL 68 CO 0.00 0.21 -0.21 -0.31 0.00 0.00 0.00 175.10 174.79 1sn0 s TYR 69 N 0.89 2.13 -0.10 5.22 1.51 0.32 -0.75 117.35 126.58 1sn0 s TYR 69 Ca 0.43 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1sn0 s TYR 69 Cb -0.19 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1sn0 s TYR 69 CO 0.22 0.48 -0.08 0.50 -1.11 0.00 0.00 175.55 175.56 1sn0 s ARG 70 N -2.88 1.44 -0.22 -0.62 3.52 -0.03 -1.22 118.95 118.95 1sn0 s ARG 70 Ca 0.21 -0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.52 1sn0 s ARG 70 Cb -0.07 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.86 1sn0 s ARG 70 CO 0.10 -0.20 -0.03 0.08 -0.81 0.00 0.00 175.30 174.43 1sn0 s VAL 71 N 1.47 3.51 -0.21 7.11 1.01 -0.01 -0.68 120.40 132.60 1sn0 s VAL 71 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1sn0 s VAL 71 Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1sn0 s VAL 71 CO -0.05 0.42 0.06 -1.61 0.00 0.00 0.00 175.10 173.92 1sn0 s GLU 72 N 1.37 3.81 -0.14 2.72 2.02 -0.20 -0.76 118.70 127.50 1sn0 s GLU 72 Ca 0.04 -0.42 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1sn0 s GLU 72 Cb -0.14 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1sn0 s GLU 72 CO -0.02 0.05 -0.06 -0.06 0.02 0.00 0.00 175.26 175.20 1sn0 s PHE 73 N 0.98 2.98 -1.36 1.61 0.40 0.15 -1.44 117.98 121.29 1sn0 s PHE 73 Ca 0.04 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1sn0 s PHE 73 Cb -0.14 -1.92 0.11 0.00 0.51 0.00 0.00 43.02 41.58 1sn0 s PHE 73 CO 0.03 -0.04 2.03 -3.47 0.70 0.00 0.00 175.22 174.47 1sn0 n ASP 74 N 3.43 4.52 0.12 1.36 -0.08 0.11 -1.67 116.55 124.34 1sn0 n ASP 74 Ca -0.18 -2.98 -0.02 0.00 -1.51 0.00 0.00 54.79 50.10 1sn0 n ASP 74 Cb 0.53 -1.57 0.18 0.00 2.34 0.00 0.00 41.12 42.59 1sn0 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn0 h THR 75 N 3.91 1.40 -0.48 5.18 1.35 -1.87 -2.82 112.91 119.59 1sn0 h THR 75 Ca 0.48 -1.94 0.03 0.00 -0.55 0.00 0.00 66.41 64.42 1sn0 h THR 75 Cb 0.64 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 69.05 1sn0 h THR 75 CO 1.74 0.56 0.28 0.50 -0.25 0.00 0.00 175.52 178.35 1sn0 h LYS 76 N 0.07 0.53 -0.57 4.72 3.64 -1.77 -0.42 116.57 122.77 1sn0 h LYS 76 Ca -0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1sn0 h LYS 76 Cb 1.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1sn0 h LYS 76 CO 0.08 0.35 -0.00 0.00 -2.27 0.00 0.00 179.45 177.61 1sn0 h ALA 77 N 1.22 0.77 -0.25 5.00 0.00 -1.88 -0.41 119.26 123.70 1sn0 h ALA 77 Ca 0.19 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1sn0 h ALA 77 Cb 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1sn0 h ALA 77 CO -0.10 0.60 0.00 -0.92 0.00 0.00 0.00 179.25 178.84 1sn0 h TYR 78 N 0.90 -0.00 -0.29 0.00 3.20 -1.17 0.35 116.97 119.96 1sn0 h TYR 78 Ca 0.16 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 1sn0 h TYR 78 Cb 0.55 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1sn0 h TYR 78 CO 0.04 -0.03 -0.48 -1.49 -1.64 0.00 0.00 178.16 174.56 1sn0 h TRP 79 N 0.08 0.95 0.05 -3.82 4.06 -0.93 -1.86 115.95 114.48 1sn0 h TRP 79 Ca 0.12 -0.31 0.02 0.00 2.06 0.00 0.00 58.89 60.78 1sn0 h TRP 79 Cb 0.15 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 1sn0 h TRP 79 CO -0.20 1.10 -0.18 1.15 -3.56 0.00 0.00 178.44 176.76 1sn0 h THR 80 N 0.61 0.59 -0.78 1.49 2.02 -0.88 -1.04 112.91 114.91 1sn0 h THR 80 Ca 0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 1sn0 h THR 80 Cb 1.05 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 1sn0 h THR 80 CO 0.10 0.00 0.51 -1.13 0.37 0.00 0.00 175.52 175.37 1sn0 h ASN 81 N -0.31 0.61 0.64 4.18 -1.24 -0.81 -0.97 115.58 117.66 1sn0 h ASN 81 Ca 0.04 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1sn0 h ASN 81 Cb 0.36 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1sn0 h ASN 81 CO -0.13 0.35 0.00 0.00 -1.29 0.00 0.00 177.43 176.36 1sn0 n GLN 82 N -4.51 0.01 -0.60 6.67 1.13 -0.71 -4.88 117.38 114.50 1sn0 n GLN 82 Ca 0.13 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1sn0 n GLN 82 Cb 0.36 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 0.44 0.67 3.98 1.08 0.00 -0.37 -5.07 105.19 105.91 1sn0 n GLY 83 Ca 0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.29 5.01 -0.33 1.61 0.01 -0.46 -5.03 113.70 112.22 1sn0 s SER 84 Ca 0.00 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 1sn0 s SER 84 Cb 0.00 0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.48 1sn0 s SER 84 CO 0.00 -1.16 0.04 -0.89 0.41 0.00 0.00 173.24 171.64 1sn0 s THR 85 N -2.65 2.90 0.39 1.44 2.01 -1.26 -4.23 115.64 114.23 1sn0 s THR 85 Ca 0.52 -1.69 -0.07 0.00 0.31 0.00 0.00 61.69 60.76 1sn0 s THR 85 Cb -0.05 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 1sn0 s THR 85 CO 0.32 -0.30 0.70 -2.16 -0.69 0.00 0.00 174.62 172.50 1sn0 s PRO 86 N 1.17 3.67 -0.18 4.92 0.04 -1.26 -4.69 135.00 138.66 1sn0 s PRO 86 Ca -0.00 0.24 -0.20 0.00 0.04 0.00 0.00 61.00 61.07 1sn0 s PRO 86 Cb -0.20 -2.47 -0.17 0.00 0.04 0.00 0.00 34.50 31.69 1sn0 s PRO 86 CO -0.03 0.00 0.27 0.35 0.04 0.00 0.00 177.00 177.63 1sn0 h PHE 87 N 1.10 0.00 -3.89 0.56 3.57 -1.43 -3.48 116.94 113.37 1sn0 h PHE 87 Ca -0.47 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.55 1sn0 h PHE 87 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1sn0 h PHE 87 CO 0.59 1.12 0.39 -1.01 -2.23 0.00 0.00 178.31 177.17 1sn0 s HIS 88 N -2.28 3.55 -0.08 0.41 3.76 -1.26 -4.95 115.29 114.45 1sn0 s HIS 88 Ca -0.24 1.73 0.13 0.00 -0.15 0.00 0.00 55.06 56.54 1sn0 s HIS 88 Cb 0.03 -3.06 0.05 0.00 1.11 0.00 0.00 32.58 30.71 1sn0 s HIS 88 CO 0.53 -0.18 1.43 1.49 -0.85 0.00 0.00 174.74 177.16 1sn0 h GLU 89 N 3.11 0.00 -2.30 1.40 4.57 -1.98 -3.38 114.58 116.00 1sn0 h GLU 89 Ca -0.47 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.83 1sn0 h GLU 89 Cb 1.20 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.66 1sn0 h GLU 89 CO 0.65 0.60 0.49 0.54 -1.18 0.00 0.00 179.01 180.11 1sn0 s VAL 90 N -2.95 0.00 -0.22 0.32 0.11 -1.26 -4.41 120.40 111.99 1sn0 s VAL 90 Ca 0.03 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1sn0 s VAL 90 Cb 0.08 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1sn0 s VAL 90 CO 0.76 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 172.42 1sn0 s ALA 91 N -3.16 2.59 -0.12 1.54 0.00 -0.67 -4.93 121.76 117.01 1sn0 s ALA 91 Ca 0.07 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1sn0 s ALA 91 Cb -0.01 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1sn0 s ALA 91 CO -0.07 -0.55 -0.14 -1.21 0.00 0.00 0.00 175.76 173.79 1sn0 s GLU 92 N 1.35 3.30 -0.25 0.00 2.02 -1.26 0.30 118.70 124.16 1sn0 s GLU 92 Ca 0.03 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 1sn0 s GLU 92 Cb -0.15 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.54 1sn0 s GLU 92 CO -0.07 0.23 -0.08 0.08 0.02 0.00 0.00 175.26 175.44 1sn0 s VAL 93 N 0.29 2.59 -0.15 2.63 1.01 0.06 -4.97 120.40 121.87 1sn0 s VAL 93 Ca -0.11 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.65 1sn0 s VAL 93 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1sn0 s VAL 93 CO 0.06 0.14 -0.17 -0.69 0.00 0.00 0.00 175.10 174.43 1sn0 s VAL 94 N 1.25 2.50 -0.09 2.92 1.01 -1.26 -0.82 120.40 125.91 1sn0 s VAL 94 Ca -0.03 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1sn0 s VAL 94 Cb -0.18 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1sn0 s VAL 94 CO -0.05 0.53 0.52 0.72 0.00 0.00 0.00 175.10 176.81 1sn0 s PHE 95 N 0.75 -0.49 -0.35 5.22 -0.71 -0.36 -4.99 117.98 117.04 1sn0 s PHE 95 Ca -0.07 0.96 -0.25 0.00 -1.04 0.00 0.00 56.93 56.53 1sn0 s PHE 95 Cb -0.16 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.91 1sn0 s PHE 95 CO 0.01 -0.44 0.89 0.34 -1.34 0.00 0.00 175.22 174.68 1sn0 s ASP 96 N -0.76 6.68 -0.02 1.98 2.15 -1.26 -0.52 116.67 124.91 1sn0 s ASP 96 Ca -0.08 0.60 -0.21 0.00 0.43 0.00 0.00 52.55 53.28 1sn0 s ASP 96 Cb -0.03 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1sn0 s ASP 96 CO 0.05 -0.80 0.62 0.00 -0.17 0.00 0.00 175.17 174.87 1sn0 s ALA 97 N 3.35 3.44 -0.54 3.66 0.00 0.16 -4.90 121.76 126.94 1sn0 s ALA 97 Ca 0.37 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1sn0 s ALA 97 Cb -0.12 -2.80 0.15 0.00 0.00 0.00 0.00 23.12 20.35 1sn0 s ALA 97 CO 0.17 0.09 0.34 -1.01 0.00 0.00 0.00 175.76 175.35 1sn0 s HIS 98 N 0.09 2.69 -1.26 0.00 0.09 -1.26 -2.14 115.29 113.51 1sn0 s HIS 98 Ca 0.33 -2.90 0.28 0.00 -0.00 0.00 0.00 55.06 52.76 1sn0 s HIS 98 Cb -0.18 -2.27 1.05 0.00 -0.00 0.00 0.00 32.58 31.17 1sn0 s HIS 98 CO 0.17 -0.70 1.77 -0.35 -0.00 0.00 0.00 174.74 175.63 1sn0 n PRO 99 N 2.84 0.28 -1.62 8.40 -0.04 -1.26 -4.73 135.00 138.87 1sn0 n PRO 99 Ca 0.14 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1sn0 n PRO 99 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1sn0 n PRO 99 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sn0 n GLU 100 N -1.28 1.44 -2.78 0.54 0.00 -1.26 -1.39 120.64 115.90 1sn0 n GLU 100 Ca 0.10 0.51 -0.10 0.00 0.00 0.00 0.00 57.16 57.67 1sn0 n GLU 100 Cb 0.31 -2.08 0.02 0.00 0.00 0.00 0.00 31.44 29.70 1sn0 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sn0 n GLY 101 N 1.13 0.26 3.83 -1.84 0.00 -1.26 -3.93 105.19 103.38 1sn0 n GLY 101 Ca 0.09 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1sn0 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sn0 n HIS 102 N -3.64 -1.77 -3.55 1.61 1.44 -1.09 -4.94 115.22 103.27 1sn0 n HIS 102 Ca -0.02 0.76 -0.36 0.00 -2.01 0.00 0.00 57.72 56.09 1sn0 n HIS 102 Cb 0.54 -3.98 -0.07 0.00 0.12 0.00 0.00 29.99 26.60 1sn0 n HIS 102 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1sn0 s ARG 103 N -6.26 4.24 0.18 -1.40 3.00 -0.49 -4.31 118.95 113.91 1sn0 s ARG 103 Ca 0.04 0.06 0.09 0.00 0.00 0.00 0.00 55.73 55.92 1sn0 s ARG 103 Cb -0.01 -3.44 -0.04 0.00 0.00 0.00 0.00 34.95 31.45 1sn0 s ARG 103 CO 0.86 0.21 -0.12 -1.01 0.00 0.00 0.00 175.30 175.24 1sn0 s HIS 104 N 0.55 2.58 -0.06 -0.53 3.76 0.19 -4.55 115.29 117.24 1sn0 s HIS 104 Ca 0.16 -0.25 0.05 0.00 -0.15 0.00 0.00 55.06 54.87 1sn0 s HIS 104 Cb -0.13 -1.26 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 1sn0 s HIS 104 CO 0.04 0.51 -0.19 0.71 -0.85 0.00 0.00 174.74 174.96 1sn0 s TYR 105 N -1.70 2.58 -0.15 1.40 1.51 0.25 -1.63 117.35 119.60 1sn0 s TYR 105 Ca 0.24 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1sn0 s TYR 105 Cb -0.09 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1sn0 s TYR 105 CO 0.14 -0.01 -0.17 0.99 -1.11 0.00 0.00 175.55 175.40 1sn0 s THR 106 N -0.43 1.74 -0.48 -0.71 2.01 -0.51 -0.29 115.64 116.98 1sn0 s THR 106 Ca 0.05 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.09 1sn0 s THR 106 Cb -0.12 -1.60 0.04 0.00 0.01 0.00 0.00 72.50 70.83 1sn0 s THR 106 CO 0.02 0.49 0.66 -0.76 -0.69 0.00 0.00 174.62 174.33 1sn0 s LEU 107 N 1.31 4.68 -0.03 4.42 1.43 0.72 -1.31 118.68 129.91 1sn0 s LEU 107 Ca 0.03 -0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 1sn0 s LEU 107 Cb -0.13 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1sn0 s LEU 107 CO -0.10 -0.87 0.51 0.00 0.23 0.00 0.00 176.35 176.12 1sn0 s ALA 108 N 2.83 3.54 -0.07 4.21 0.00 0.75 -1.12 121.76 131.91 1sn0 s ALA 108 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1sn0 s ALA 108 Cb -0.16 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.37 1sn0 s ALA 108 CO 0.16 0.21 -0.01 -1.17 0.00 0.00 0.00 175.76 174.94 1sn0 s LEU 109 N -0.24 0.79 -0.28 0.00 2.96 0.23 -1.16 118.68 121.00 1sn0 s LEU 109 Ca 0.27 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1sn0 s LEU 109 Cb -0.17 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.04 1sn0 s LEU 109 CO 0.14 -0.16 0.06 -0.22 -1.32 0.00 0.00 176.35 174.85 1sn0 s LEU 110 N 1.73 3.65 -0.14 -0.68 2.96 -0.02 -1.29 118.68 124.88 1sn0 s LEU 110 Ca 0.02 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1sn0 s LEU 110 Cb -0.13 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1sn0 s LEU 110 CO -0.05 -0.14 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.05 1sn0 s LEU 111 N 1.51 3.29 0.11 -0.68 1.43 -0.15 -1.13 118.68 123.05 1sn0 s LEU 111 Ca 0.04 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1sn0 s LEU 111 Cb -0.16 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1sn0 s LEU 111 CO 0.02 0.20 -0.12 -0.44 0.23 0.00 0.00 176.35 176.24 1sn0 s SER 112 N 0.16 1.66 0.28 2.29 0.01 0.49 -0.65 113.70 117.94 1sn0 s SER 112 Ca -0.01 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.46 1sn0 s SER 112 Cb -0.14 -0.02 0.61 0.00 0.21 0.00 0.00 66.02 66.68 1sn0 s SER 112 CO 0.03 -0.21 1.76 -0.65 0.41 0.00 0.00 173.24 174.57 1sn0 h PRO 113 N 3.57 0.61 -0.24 12.44 0.11 -1.99 -2.57 132.00 143.94 1sn0 h PRO 113 Ca -0.38 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1sn0 h PRO 113 Cb 1.19 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1sn0 h PRO 113 CO 0.51 0.40 -0.02 1.19 -0.21 0.00 0.00 178.00 179.88 1sn0 n PHE 114 N -4.87 0.81 -3.60 0.65 3.01 -1.26 -1.01 117.46 111.20 1sn0 n PHE 114 Ca 0.19 -1.07 -0.13 0.00 1.01 0.00 0.00 57.45 57.46 1sn0 n PHE 114 Cb 0.50 -0.33 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 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 -2.24 -0.59 0.04 4.37 0.15 -0.97 -4.94 113.70 109.52 1sn0 s SER 115 Ca 0.41 0.96 -0.03 0.00 0.70 0.00 0.00 55.95 57.98 1sn0 s SER 115 Cb 0.35 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.55 1sn0 s SER 115 CO 0.06 -0.32 0.05 -0.72 1.20 0.00 0.00 173.24 173.50 1sn0 s TYR 116 N -0.26 0.27 -0.14 3.44 -0.85 -1.26 -0.38 117.35 118.17 1sn0 s TYR 116 Ca -0.02 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 55.94 1sn0 s TYR 116 Cb -0.03 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.12 1sn0 s TYR 116 CO 0.01 -0.33 -0.20 0.99 -1.52 0.00 0.00 175.55 174.51 1sn0 s THR 117 N -2.58 2.30 -0.25 -3.49 2.01 -0.29 -4.95 115.64 108.40 1sn0 s THR 117 Ca -0.05 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 1sn0 s THR 117 Cb -0.02 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1sn0 s THR 117 CO -0.05 0.54 0.01 0.28 -0.69 0.00 0.00 174.62 174.71 1sn0 s THR 118 N 0.72 3.61 0.14 -0.82 -1.32 -1.26 -0.84 115.64 115.86 1sn0 s THR 118 Ca -0.09 -0.57 0.07 0.00 -1.21 0.00 0.00 61.69 59.89 1sn0 s THR 118 Cb -0.16 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 1sn0 s THR 118 CO 0.01 0.28 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.65 1sn0 s THR 119 N 1.48 1.58 -0.02 5.08 2.01 -0.31 -5.01 115.64 120.45 1sn0 s THR 119 Ca 0.04 -1.77 0.06 0.00 0.31 0.00 0.00 61.69 60.33 1sn0 s THR 119 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1sn0 s THR 119 CO -0.01 -0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 173.38 1sn0 s ALA 120 N -1.97 1.79 -0.19 7.40 0.00 -1.26 -0.17 121.76 127.35 1sn0 s ALA 120 Ca 0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1sn0 s ALA 120 Cb -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1sn0 s ALA 120 CO 0.05 0.42 -0.13 0.08 0.00 0.00 0.00 175.76 176.18 1sn0 s VAL 121 N -0.40 2.72 -0.20 0.00 1.01 -0.42 -4.98 120.40 118.13 1sn0 s VAL 121 Ca 0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1sn0 s VAL 121 Cb -0.09 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1sn0 s VAL 121 CO -0.00 0.49 -0.00 -0.69 0.00 0.00 0.00 175.10 174.89 1sn0 s VAL 122 N 1.27 3.93 0.07 2.92 1.01 -1.26 -1.42 120.40 126.91 1sn0 s VAL 122 Ca 0.03 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1sn0 s VAL 122 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1sn0 s VAL 122 CO -0.06 0.43 -0.11 -0.94 0.00 0.00 0.00 175.10 174.42 1sn0 s SER 123 N 0.97 1.33 -0.01 3.32 1.04 -0.65 -4.96 113.70 114.73 1sn0 s SER 123 Ca 0.01 -0.67 0.09 0.00 0.48 0.00 0.00 55.95 55.87 1sn0 s SER 123 Cb -0.14 0.00 0.28 0.00 0.10 0.00 0.00 66.02 66.26 1sn0 s SER 123 CO 0.02 -0.19 1.21 -1.54 0.98 0.00 0.00 173.24 173.72 1sn0 n SER 124 N 1.07 1.78 0.00 7.02 3.41 -1.26 -0.63 113.62 125.01 1sn0 n SER 124 Ca -0.20 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1sn0 n SER 124 Cb 0.56 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1sn0 n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21