#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn5 h PRO 11 N 0.00 0.00 -3.66 0.00 0.13 -1.88 -3.43 132.00 123.17 1sn5 h PRO 11 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1sn5 h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1sn5 h PRO 11 CO 0.00 0.00 -0.77 -1.17 -0.23 0.00 0.00 178.00 175.83 1sn5 s LEU 12 N -5.09 1.63 0.31 1.56 2.96 -1.26 -0.45 118.68 118.34 1sn5 s LEU 12 Ca 0.09 -1.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.02 1sn5 s LEU 12 Cb 0.10 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 1sn5 s LEU 12 CO 0.62 -0.32 0.01 -0.04 -1.32 0.00 0.00 176.35 175.30 1sn5 s MET 13 N 1.74 2.17 0.08 1.98 -1.94 0.61 -4.65 119.30 119.28 1sn5 s MET 13 Ca 0.01 -1.61 0.03 0.00 -1.71 0.00 0.00 55.69 52.41 1sn5 s MET 13 Cb -0.17 -2.03 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 1sn5 s MET 13 CO -0.12 0.22 -0.09 0.14 -0.01 0.00 0.00 175.02 175.16 1sn5 s VAL 14 N -2.44 0.80 -0.25 -6.03 -7.23 -1.26 -0.32 120.40 103.67 1sn5 s VAL 14 Ca 0.34 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1sn5 s VAL 14 Cb -0.03 -1.22 0.12 0.00 0.56 0.00 0.00 36.38 35.81 1sn5 s VAL 14 CO 0.20 -0.56 0.27 -0.75 -0.31 0.00 0.00 175.10 173.94 1sn5 s LYS 15 N -2.64 0.27 -0.18 4.82 2.47 -0.40 -4.30 119.74 119.78 1sn5 s LYS 15 Ca 0.02 0.03 -0.05 0.00 -1.56 0.00 0.00 55.97 54.41 1sn5 s LYS 15 Cb -0.03 -0.88 -0.03 0.00 -1.46 0.00 0.00 37.83 35.43 1sn5 s LYS 15 CO -0.01 -0.85 0.01 0.42 0.16 0.00 0.00 175.35 175.08 1sn5 s ILE 16 N 2.35 4.24 0.08 5.43 1.01 -0.46 -1.14 121.20 132.72 1sn5 s ILE 16 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.59 1sn5 s ILE 16 Cb -0.15 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1sn5 s ILE 16 CO -0.24 0.47 -0.17 -0.76 0.00 0.00 0.00 174.94 174.24 1sn5 s LEU 17 N 0.51 2.71 -0.35 2.97 1.43 -0.38 -0.40 118.68 125.17 1sn5 s LEU 17 Ca -0.00 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1sn5 s LEU 17 Cb -0.14 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1sn5 s LEU 17 CO 0.02 0.21 0.18 -0.62 0.23 0.00 0.00 176.35 176.37 1sn5 s ASP 18 N -1.85 5.65 0.00 2.29 -1.08 0.10 -0.91 116.67 120.88 1sn5 s ASP 18 Ca 0.17 -0.79 0.26 0.00 -0.52 0.00 0.00 52.55 51.67 1sn5 s ASP 18 Cb -0.11 -2.01 1.30 0.00 -1.46 0.00 0.00 42.92 40.64 1sn5 s ASP 18 CO 0.08 -0.30 1.89 0.00 0.52 0.00 0.00 175.17 177.36 1sn5 n ALA 19 N 4.99 2.30 -0.05 3.66 0.00 0.20 -1.17 120.51 130.44 1sn5 n ALA 19 Ca -0.13 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1sn5 n ALA 19 Cb 0.47 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1sn5 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn5 n VAL 20 N -1.32 1.65 0.08 0.00 0.31 -1.26 -4.48 118.33 113.31 1sn5 n VAL 20 Ca 0.12 -0.34 0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1sn5 n VAL 20 Cb 0.23 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 1sn5 n VAL 20 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1sn5 n LYS 21 N -3.97 0.61 -2.72 5.55 5.02 -1.21 -4.98 118.16 116.46 1sn5 n LYS 21 Ca -0.33 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 55.95 1sn5 n LYS 21 Cb 0.86 -1.79 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1sn5 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sn5 n GLY 22 N 1.21 0.20 3.23 0.72 0.00 -0.31 -5.05 105.19 105.19 1sn5 n GLY 22 Ca -0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1sn5 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn5 s THR 23 N -2.92 0.57 0.83 2.61 -4.23 -1.19 -5.00 115.64 106.32 1sn5 s THR 23 Ca 0.18 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1sn5 s THR 23 Cb -0.08 -2.14 0.10 0.00 1.34 0.00 0.00 72.50 71.72 1sn5 s THR 23 CO 0.22 -0.44 1.14 -2.84 -0.54 0.00 0.00 174.62 172.16 1sn5 s PRO 24 N -3.95 1.62 -0.50 3.99 0.02 -1.26 0.03 135.00 134.96 1sn5 s PRO 24 Ca 0.25 1.47 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 1sn5 s PRO 24 Cb 0.06 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.85 1sn5 s PRO 24 CO 0.04 -2.17 0.52 0.00 -0.33 0.00 0.00 177.00 175.06 1sn5 s ALA 25 N -2.60 3.48 0.46 -1.55 0.00 0.47 -4.52 121.76 117.49 1sn5 s ALA 25 Ca 0.66 -2.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 1sn5 s ALA 25 Cb -0.22 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1sn5 s ALA 25 CO 0.55 -1.91 0.81 0.20 0.00 0.00 0.00 175.76 175.41 1sn5 s GLY 26 N 2.77 1.76 -1.59 0.00 0.00 -1.26 -4.20 107.32 104.80 1sn5 s GLY 26 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 1sn5 s GLY 26 CO 0.09 -0.09 0.34 1.44 0.00 0.00 0.00 173.10 174.87 1sn5 n SER 27 N -1.79 -5.76 -4.64 1.64 7.64 -0.06 -4.94 113.62 105.71 1sn5 n SER 27 Ca 0.02 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 1sn5 n SER 27 Cb 0.54 -4.72 -0.06 0.00 -1.01 0.00 0.00 64.21 58.97 1sn5 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn5 s VAL 28 N -3.08 4.97 0.25 0.44 1.01 -1.26 -4.79 120.40 117.94 1sn5 s VAL 28 Ca 0.18 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1sn5 s VAL 28 Cb -0.08 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1sn5 s VAL 28 CO 0.22 0.04 0.98 0.00 0.00 0.00 0.00 175.10 176.35 1sn5 s ALA 29 N 2.33 3.35 0.05 5.51 0.00 -1.26 -1.37 121.76 130.37 1sn5 s ALA 29 Ca 0.29 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 1sn5 s ALA 29 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1sn5 s ALA 29 CO 0.09 0.11 0.02 -0.48 0.00 0.00 0.00 175.76 175.50 1sn5 s LEU 30 N -1.28 2.22 -0.01 0.00 0.05 -0.24 -0.38 118.68 119.04 1sn5 s LEU 30 Ca 0.42 -0.86 0.02 0.00 0.05 0.00 0.00 54.13 53.76 1sn5 s LEU 30 Cb -0.27 0.38 0.00 0.00 -2.05 0.00 0.00 46.19 44.25 1sn5 s LEU 30 CO 0.34 -0.59 -0.05 -0.75 -0.55 0.00 0.00 176.35 174.75 1sn5 s LYS 31 N -3.60 0.56 -0.16 1.48 2.20 -0.39 -1.39 119.74 118.43 1sn5 s LYS 31 Ca 0.04 -0.18 -0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1sn5 s LYS 31 Cb 0.05 -0.56 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 1sn5 s LYS 31 CO -0.09 0.07 -0.07 0.08 -0.36 0.00 0.00 175.35 174.98 1sn5 s VAL 32 N 0.16 3.50 0.09 4.02 1.01 0.39 -0.84 120.40 128.72 1sn5 s VAL 32 Ca -0.02 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1sn5 s VAL 32 Cb -0.06 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1sn5 s VAL 32 CO -0.00 0.49 -0.18 -0.44 0.00 0.00 0.00 175.10 174.97 1sn5 s SER 33 N 0.57 2.16 -0.09 3.32 0.01 0.25 -0.98 113.70 118.95 1sn5 s SER 33 Ca -0.05 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1sn5 s SER 33 Cb -0.15 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1sn5 s SER 33 CO 0.03 -0.00 -0.12 -1.58 0.41 0.00 0.00 173.24 171.98 1sn5 s GLN 34 N -1.86 2.96 0.22 12.44 0.74 0.10 -0.98 119.66 133.29 1sn5 s GLN 34 Ca 0.03 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.49 1sn5 s GLN 34 Cb -0.10 -2.55 -0.09 0.00 1.10 0.00 0.00 33.01 31.37 1sn5 s GLN 34 CO 0.03 0.45 1.29 0.21 -0.55 0.00 0.00 175.29 176.73 1sn5 s LYS 35 N -0.27 4.41 0.52 1.67 2.20 -0.08 -0.37 119.74 127.82 1sn5 s LYS 35 Ca 0.02 2.05 0.02 0.00 -0.36 0.00 0.00 55.97 57.70 1sn5 s LYS 35 Cb -0.13 -3.18 0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1sn5 s LYS 35 CO 0.03 -0.20 0.74 0.95 -0.36 0.00 0.00 175.35 176.50 1sn5 s THR 36 N -0.15 2.88 0.57 3.43 -4.23 0.10 -4.77 115.64 113.47 1sn5 s THR 36 Ca 0.55 -0.68 0.27 0.00 -1.18 0.00 0.00 61.69 60.64 1sn5 s THR 36 Cb -0.36 -3.06 0.37 0.00 1.34 0.00 0.00 72.50 70.78 1sn5 s THR 36 CO 0.40 -0.04 2.03 0.00 -0.54 0.00 0.00 174.62 176.46 1sn5 h ALA 37 N 0.18 2.12 -0.09 3.99 0.00 -1.96 -1.05 119.26 122.46 1sn5 h ALA 37 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sn5 h ALA 37 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sn5 h ALA 37 CO 0.52 -0.49 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 1sn5 n ASP 38 N -4.01 2.08 0.00 0.00 5.75 -1.26 -4.90 116.55 114.22 1sn5 n ASP 38 Ca 0.05 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1sn5 n ASP 38 Cb 0.48 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1sn5 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sn5 n GLY 39 N 1.24 0.75 0.00 6.12 0.00 -0.40 -5.08 105.19 107.83 1sn5 n GLY 39 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1sn5 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn5 n GLY 40 N -2.10 0.59 2.97 -0.02 0.00 -1.26 -4.77 105.19 100.60 1sn5 n GLY 40 Ca 0.00 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 1sn5 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn5 s TRP 41 N 0.45 0.57 -0.06 1.61 0.52 -1.26 0.01 118.94 120.78 1sn5 s TRP 41 Ca 0.00 -0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.06 1sn5 s TRP 41 Cb 0.00 -0.38 -0.01 0.00 -1.15 0.00 0.00 33.47 31.93 1sn5 s TRP 41 CO 0.00 -0.02 -0.22 -0.08 0.02 0.00 0.00 176.95 176.65 1sn5 s THR 42 N -0.07 1.81 -0.02 2.01 -1.32 0.50 -4.91 115.64 113.64 1sn5 s THR 42 Ca 0.01 -0.93 -0.29 0.00 -1.21 0.00 0.00 61.69 59.27 1sn5 s THR 42 Cb -0.03 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.38 1sn5 s THR 42 CO -0.00 0.51 0.96 -1.58 -2.21 0.00 0.00 174.62 172.30 1sn5 s GLN 43 N -0.04 4.53 -0.01 7.08 0.74 -1.26 0.01 119.66 130.72 1sn5 s GLN 43 Ca -0.05 1.38 0.06 0.00 0.05 0.00 0.00 55.36 56.80 1sn5 s GLN 43 Cb -0.13 -3.47 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 1sn5 s GLN 43 CO 0.04 -0.08 0.14 0.44 -0.55 0.00 0.00 175.29 175.28 1sn5 n ILE 44 N 3.99 0.00 -3.50 -2.34 -5.35 -0.15 -4.94 119.36 107.07 1sn5 n ILE 44 Ca 0.06 -0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 1sn5 n ILE 44 Cb 0.51 0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 38.74 1sn5 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn5 s ALA 45 N -2.42 -1.78 0.08 -1.28 0.00 -1.15 -5.01 121.76 110.20 1sn5 s ALA 45 Ca -0.02 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1sn5 s ALA 45 Cb 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1sn5 s ALA 45 CO 0.26 -0.54 -0.06 0.95 0.00 0.00 0.00 175.76 176.38 1sn5 s THR 46 N -2.31 0.58 0.17 0.00 -4.23 -1.26 -0.46 115.64 108.13 1sn5 s THR 46 Ca -0.02 -1.79 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1sn5 s THR 46 Cb -0.01 -1.50 0.08 0.00 1.34 0.00 0.00 72.50 72.42 1sn5 s THR 46 CO -0.02 -0.83 1.05 -0.83 -0.54 0.00 0.00 174.62 173.44 1sn5 s GLY 47 N -2.81 0.07 -0.02 3.99 0.00 -0.49 -4.99 107.32 103.06 1sn5 s GLY 47 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1sn5 s GLY 47 CO -0.05 2.33 0.01 0.14 0.00 0.00 0.00 173.10 175.53 1sn5 s VAL 48 N -2.26 0.03 0.59 1.40 1.01 -1.26 -1.08 120.40 118.83 1sn5 s VAL 48 Ca 0.21 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 1sn5 s VAL 48 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1sn5 s VAL 48 CO 0.05 0.09 1.27 0.42 0.00 0.00 0.00 175.10 176.93 1sn5 s THR 49 N 0.85 2.34 0.09 3.92 -4.23 -0.47 -4.79 115.64 113.36 1sn5 s THR 49 Ca -0.08 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.65 1sn5 s THR 49 Cb -0.11 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.65 1sn5 s THR 49 CO -0.02 -0.03 0.13 -0.90 -0.54 0.00 0.00 174.62 173.26 1sn5 n ASP 50 N -1.46 0.10 0.11 3.99 5.68 0.15 -0.88 116.55 124.23 1sn5 n ASP 50 Ca 0.13 -1.10 0.10 0.00 -0.50 0.00 0.00 54.79 53.42 1sn5 n ASP 50 Cb 0.48 -0.09 0.45 0.00 -1.14 0.00 0.00 41.12 40.82 1sn5 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn5 n ALA 51 N -3.03 1.38 0.58 2.12 0.00 -1.26 -1.07 120.51 119.23 1sn5 n ALA 51 Ca -0.02 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1sn5 n ALA 51 Cb 0.07 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.46 1sn5 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sn5 n THR 52 N -2.08 0.40 -1.65 0.00 -2.24 -1.26 -4.60 114.28 102.84 1sn5 n THR 52 Ca 0.01 -0.63 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 1sn5 n THR 52 Cb 0.13 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1sn5 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn5 n GLY 53 N 1.41 0.48 3.52 3.38 0.00 -0.23 -4.72 105.19 109.02 1sn5 n GLY 53 Ca 0.18 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1sn5 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn5 s GLU 54 N -3.42 1.75 -0.10 1.61 2.02 -1.26 -1.35 118.70 117.95 1sn5 s GLU 54 Ca 0.00 -1.95 -0.01 0.00 0.02 0.00 0.00 54.97 53.03 1sn5 s GLU 54 Cb 0.00 -1.33 0.03 0.00 0.10 0.00 0.00 34.13 32.93 1sn5 s GLU 54 CO 0.00 -0.03 -0.03 0.42 0.02 0.00 0.00 175.26 175.64 1sn5 s ILE 55 N -2.92 0.65 0.13 -1.63 1.01 -1.26 -0.68 121.20 116.51 1sn5 s ILE 55 Ca 0.34 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 1sn5 s ILE 55 Cb 0.07 -0.78 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 1sn5 s ILE 55 CO 0.16 0.27 0.50 -1.00 0.00 0.00 0.00 174.94 174.86 1sn5 s HIS 56 N 1.85 3.58 -1.41 3.97 3.76 -1.26 -4.23 115.29 121.55 1sn5 s HIS 56 Ca 0.04 0.94 -0.07 0.00 -0.15 0.00 0.00 55.06 55.83 1sn5 s HIS 56 Cb -0.13 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.32 1sn5 s HIS 56 CO -0.07 0.44 0.85 0.09 -0.85 0.00 0.00 174.74 175.20 1sn5 n ASN 57 N 0.73 -3.02 -0.02 1.40 4.13 -1.26 -4.89 115.26 112.33 1sn5 n ASN 57 Ca -0.05 -0.79 -0.11 0.00 1.68 0.00 0.00 54.58 55.30 1sn5 n ASN 57 Cb 0.52 -4.02 -0.06 0.00 -1.54 0.00 0.00 39.78 34.68 1sn5 n ASN 57 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1sn5 h LEU 58 N -2.01 0.15 -8.30 3.41 5.85 -1.83 -3.46 115.31 109.12 1sn5 h LEU 58 Ca -0.60 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 57.91 1sn5 h LEU 58 Cb 1.37 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 1sn5 h LEU 58 CO 0.61 0.21 -0.28 0.27 -0.34 0.00 0.00 178.44 178.92 1sn5 s ILE 59 N -5.77 0.01 0.37 4.05 -4.36 -1.26 -4.87 121.20 109.37 1sn5 s ILE 59 Ca -0.13 -1.55 0.07 0.00 -0.26 0.00 0.00 60.65 58.77 1sn5 s ILE 59 Cb 0.07 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.55 1sn5 s ILE 59 CO 0.69 -0.04 0.48 0.42 0.24 0.00 0.00 174.94 176.72 1sn5 s THR 60 N -4.05 3.56 0.32 8.37 -4.23 -1.26 -4.49 115.64 113.86 1sn5 s THR 60 Ca 0.26 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1sn5 s THR 60 Cb 0.02 -3.22 0.17 0.00 1.34 0.00 0.00 72.50 70.81 1sn5 s THR 60 CO 0.08 -0.09 1.88 -0.33 -0.54 0.00 0.00 174.62 175.62 1sn5 h GLU 61 N 0.84 0.69 -0.07 3.99 5.08 -1.97 -1.98 114.58 121.16 1sn5 h GLU 61 Ca -0.43 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 1sn5 h GLU 61 Cb 1.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1sn5 h GLU 61 CO 0.51 0.63 -0.15 0.37 -1.00 0.00 0.00 179.01 179.36 1sn5 h GLN 62 N 0.68 0.11 -0.12 2.33 4.15 -2.03 -1.55 115.11 118.68 1sn5 h GLN 62 Ca 0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1sn5 h GLN 62 Cb 0.24 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1sn5 h GLN 62 CO -0.00 0.27 0.00 1.04 -1.93 0.00 0.00 178.83 178.21 1sn5 n GLN 63 N -4.30 1.43 -3.09 1.69 6.02 -0.76 -4.46 117.38 113.91 1sn5 n GLN 63 Ca -0.02 -0.65 -0.23 0.00 -0.01 0.00 0.00 57.00 56.10 1sn5 n GLN 63 Cb 0.25 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.17 1sn5 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sn5 n PHE 64 N -0.09 2.06 -1.40 1.08 7.35 -0.58 -4.89 117.46 120.99 1sn5 n PHE 64 Ca 0.13 -3.90 -0.30 0.00 -0.76 0.00 0.00 57.45 52.62 1sn5 n PHE 64 Cb 0.20 -0.45 0.12 0.00 0.35 0.00 0.00 39.48 39.69 1sn5 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn5 s PRO 65 N -2.83 1.63 0.46 -7.13 0.04 -1.26 -4.80 135.00 121.11 1sn5 s PRO 65 Ca 0.44 0.68 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 1sn5 s PRO 65 Cb 0.30 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.88 1sn5 s PRO 65 CO -0.10 -1.95 1.04 0.00 0.04 0.00 0.00 177.00 176.02 1sn5 n ALA 66 N -3.66 0.36 0.00 8.56 0.00 -1.26 -4.91 120.51 119.59 1sn5 n ALA 66 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1sn5 n ALA 66 Cb 0.56 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1sn5 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn5 n GLY 67 N 1.15 0.58 3.70 0.00 0.00 -1.02 -4.97 105.19 104.62 1sn5 n GLY 67 Ca 0.10 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1sn5 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn5 s VAL 68 N -1.84 5.01 0.17 1.61 1.01 -1.26 0.13 120.40 125.23 1sn5 s VAL 68 Ca 0.00 1.45 0.11 0.00 0.00 0.00 0.00 61.98 63.54 1sn5 s VAL 68 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1sn5 s VAL 68 CO 0.00 0.19 -0.25 -0.31 0.00 0.00 0.00 175.10 174.73 1sn5 s TYR 69 N 1.18 2.29 -0.12 5.22 1.51 0.62 -0.90 117.35 127.16 1sn5 s TYR 69 Ca 0.37 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1sn5 s TYR 69 Cb -0.17 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.52 1sn5 s TYR 69 CO 0.16 0.44 -0.14 0.50 -1.11 0.00 0.00 175.55 175.40 1sn5 s ARG 70 N -2.46 2.17 -0.23 -0.62 3.52 -0.15 -1.32 118.95 119.86 1sn5 s ARG 70 Ca 0.18 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 55.21 1sn5 s ARG 70 Cb -0.09 -1.90 -0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1sn5 s ARG 70 CO 0.08 -0.12 -0.03 0.08 -0.81 0.00 0.00 175.30 174.51 1sn5 s VAL 71 N 1.15 3.43 -0.22 7.11 1.01 0.18 -0.58 120.40 132.47 1sn5 s VAL 71 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1sn5 s VAL 71 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1sn5 s VAL 71 CO -0.04 0.36 0.10 -1.61 0.00 0.00 0.00 175.10 173.91 1sn5 s GLU 72 N 1.47 3.94 -0.13 2.72 2.02 -0.02 -0.83 118.70 127.87 1sn5 s GLU 72 Ca 0.05 -0.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 1sn5 s GLU 72 Cb -0.15 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1sn5 s GLU 72 CO -0.02 0.09 -0.07 -0.06 0.02 0.00 0.00 175.26 175.22 1sn5 s PHE 73 N 0.90 2.96 -1.38 1.61 0.40 0.13 -1.27 117.98 121.33 1sn5 s PHE 73 Ca 0.05 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 1sn5 s PHE 73 Cb -0.13 -1.88 0.10 0.00 0.51 0.00 0.00 43.02 41.61 1sn5 s PHE 73 CO 0.03 -0.00 2.13 -3.47 0.70 0.00 0.00 175.22 174.61 1sn5 n ASP 74 N 3.26 5.09 0.16 1.36 -0.08 0.49 -1.74 116.55 125.10 1sn5 n ASP 74 Ca -0.18 -2.97 0.02 0.00 -1.51 0.00 0.00 54.79 50.15 1sn5 n ASP 74 Cb 0.53 -1.55 0.26 0.00 2.34 0.00 0.00 41.12 42.70 1sn5 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn5 h THR 75 N 3.70 1.25 -0.56 5.18 1.35 -1.86 -2.87 112.91 119.10 1sn5 h THR 75 Ca 0.52 -1.76 0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1sn5 h THR 75 Cb 0.58 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 1sn5 h THR 75 CO 1.73 0.49 0.36 0.50 -0.25 0.00 0.00 175.52 178.34 1sn5 h LYS 76 N 0.00 0.70 -0.34 4.72 3.64 -1.76 -1.44 116.57 122.09 1sn5 h LYS 76 Ca -0.00 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1sn5 h LYS 76 Cb 0.94 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1sn5 h LYS 76 CO 0.06 0.46 -0.27 0.00 -2.27 0.00 0.00 179.45 177.43 1sn5 h ALA 77 N 1.22 0.89 -0.07 5.00 0.00 -1.89 -0.83 119.26 123.59 1sn5 h ALA 77 Ca 0.21 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sn5 h ALA 77 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1sn5 h ALA 77 CO -0.07 0.62 -0.07 -0.92 0.00 0.00 0.00 179.25 178.82 1sn5 h TYR 78 N 0.60 -0.16 -0.31 0.00 3.20 -1.20 -0.59 116.97 118.50 1sn5 h TYR 78 Ca 0.08 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.79 1sn5 h TYR 78 Cb 0.77 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1sn5 h TYR 78 CO 0.04 -0.11 -0.47 -1.49 -1.64 0.00 0.00 178.16 174.49 1sn5 h TRP 79 N -0.09 1.06 -0.32 -3.82 4.06 -1.18 -2.14 115.95 113.52 1sn5 h TRP 79 Ca 0.05 -0.36 0.05 0.00 2.06 0.00 0.00 58.89 60.70 1sn5 h TRP 79 Cb 0.16 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.07 1sn5 h TRP 79 CO -0.17 1.18 0.03 1.15 -3.56 0.00 0.00 178.44 177.07 1sn5 h THR 80 N 0.65 0.80 -0.02 1.49 2.02 -1.05 -0.28 112.91 116.53 1sn5 h THR 80 Ca 0.03 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1sn5 h THR 80 Cb 1.07 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1sn5 h THR 80 CO 0.11 0.03 -0.11 -1.13 0.37 0.00 0.00 175.52 174.78 1sn5 h ASN 81 N 0.14 0.02 1.02 4.18 -1.24 -1.05 -1.44 115.58 117.22 1sn5 h ASN 81 Ca 0.15 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1sn5 h ASN 81 Cb 0.19 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1sn5 h ASN 81 CO -0.23 0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.05 1sn5 n GLN 82 N -4.39 0.20 -0.57 6.67 1.13 -0.36 -4.88 117.38 115.18 1sn5 n GLN 82 Ca -0.02 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1sn5 n GLN 82 Cb 0.19 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 28.73 1sn5 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sn5 n GLY 83 N 0.59 0.66 3.96 1.08 0.00 -0.54 -5.07 105.19 105.87 1sn5 n GLY 83 Ca 0.04 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1sn5 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sn5 s SER 84 N -2.48 4.82 -0.30 1.61 0.01 -0.26 -5.02 113.70 112.09 1sn5 s SER 84 Ca 0.00 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.16 1sn5 s SER 84 Cb 0.00 0.38 0.05 0.00 0.21 0.00 0.00 66.02 66.66 1sn5 s SER 84 CO 0.00 -1.21 -0.01 -0.89 0.41 0.00 0.00 173.24 171.54 1sn5 s THR 85 N -2.73 2.91 0.32 1.44 2.01 -1.26 -4.23 115.64 114.09 1sn5 s THR 85 Ca 0.46 -1.41 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 1sn5 s THR 85 Cb -0.04 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.73 1sn5 s THR 85 CO 0.29 -0.10 0.66 -2.16 -0.69 0.00 0.00 174.62 172.62 1sn5 s PRO 86 N 1.24 3.80 -0.15 4.92 0.04 -1.26 -4.68 135.00 138.91 1sn5 s PRO 86 Ca -0.06 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.20 1sn5 s PRO 86 Cb -0.20 -2.52 -0.12 0.00 0.04 0.00 0.00 34.50 31.70 1sn5 s PRO 86 CO -0.01 0.15 0.19 0.35 0.04 0.00 0.00 177.00 177.72 1sn5 h PHE 87 N 1.91 0.00 -3.84 0.56 3.57 -1.49 -3.48 116.94 114.17 1sn5 h PHE 87 Ca -0.47 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.53 1sn5 h PHE 87 Cb 1.18 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.94 1sn5 h PHE 87 CO 0.60 0.61 0.46 -1.01 -2.23 0.00 0.00 178.31 176.74 1sn5 s HIS 88 N -2.09 3.51 0.12 0.41 3.76 -1.26 -4.94 115.29 114.80 1sn5 s HIS 88 Ca -0.15 1.69 0.15 0.00 -0.15 0.00 0.00 55.06 56.60 1sn5 s HIS 88 Cb 0.01 -3.25 0.40 0.00 1.11 0.00 0.00 32.58 30.86 1sn5 s HIS 88 CO 0.37 -0.56 1.60 1.49 -0.85 0.00 0.00 174.74 176.79 1sn5 h GLU 89 N 3.52 0.00 -2.21 1.40 4.57 -1.99 -3.37 114.58 116.49 1sn5 h GLU 89 Ca -0.47 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.82 1sn5 h GLU 89 Cb 1.21 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.65 1sn5 h GLU 89 CO 0.66 0.51 0.51 0.54 -1.18 0.00 0.00 179.01 180.05 1sn5 s VAL 90 N -3.38 0.00 -0.20 0.32 0.11 -1.26 -4.38 120.40 111.61 1sn5 s VAL 90 Ca 0.01 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 1sn5 s VAL 90 Cb 0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1sn5 s VAL 90 CO 0.73 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 172.40 1sn5 s ALA 91 N -3.00 2.65 -0.09 1.54 0.00 -0.71 -4.94 121.76 117.22 1sn5 s ALA 91 Ca 0.05 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1sn5 s ALA 91 Cb -0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1sn5 s ALA 91 CO -0.08 -0.37 -0.20 -1.21 0.00 0.00 0.00 175.76 173.90 1sn5 s GLU 92 N 1.36 2.89 -0.22 0.00 2.02 -1.26 0.21 118.70 123.71 1sn5 s GLU 92 Ca 0.05 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1sn5 s GLU 92 Cb -0.14 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.77 1sn5 s GLU 92 CO -0.06 0.33 -0.16 0.08 0.02 0.00 0.00 175.26 175.47 1sn5 s VAL 93 N 0.01 2.09 -0.14 2.63 1.01 -0.01 -4.97 120.40 121.02 1sn5 s VAL 93 Ca -0.07 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1sn5 s VAL 93 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1sn5 s VAL 93 CO 0.05 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 174.54 1sn5 s VAL 94 N 1.21 2.22 0.01 2.92 1.01 -1.26 -0.65 120.40 125.86 1sn5 s VAL 94 Ca -0.01 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 1sn5 s VAL 94 Cb -0.16 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1sn5 s VAL 94 CO -0.09 0.54 0.45 0.72 0.00 0.00 0.00 175.10 176.72 1sn5 s PHE 95 N 0.80 -0.34 -0.30 5.22 -0.71 -0.43 -4.99 117.98 117.22 1sn5 s PHE 95 Ca -0.07 0.46 -0.21 0.00 -1.04 0.00 0.00 56.93 56.07 1sn5 s PHE 95 Cb -0.16 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.89 1sn5 s PHE 95 CO -0.01 -0.54 0.68 0.34 -1.34 0.00 0.00 175.22 174.35 1sn5 s ASP 96 N -1.64 6.56 -0.01 1.98 2.15 -1.26 -0.27 116.67 124.17 1sn5 s ASP 96 Ca -0.09 0.52 -0.20 0.00 0.43 0.00 0.00 52.55 53.21 1sn5 s ASP 96 Cb -0.02 -2.36 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 1sn5 s ASP 96 CO 0.02 -0.52 0.59 0.00 -0.17 0.00 0.00 175.17 175.09 1sn5 s ALA 97 N 2.72 3.49 -0.54 3.66 0.00 0.12 -4.92 121.76 126.29 1sn5 s ALA 97 Ca 0.28 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1sn5 s ALA 97 Cb -0.15 -2.74 0.15 0.00 0.00 0.00 0.00 23.12 20.39 1sn5 s ALA 97 CO 0.12 0.15 0.35 -1.01 0.00 0.00 0.00 175.76 175.37 1sn5 s HIS 98 N -0.13 2.53 -1.10 0.00 0.09 -1.26 -2.45 115.29 112.97 1sn5 s HIS 98 Ca 0.31 -2.83 0.28 0.00 -0.00 0.00 0.00 55.06 52.82 1sn5 s HIS 98 Cb -0.18 -2.12 1.06 0.00 -0.00 0.00 0.00 32.58 31.34 1sn5 s HIS 98 CO 0.17 -0.70 1.79 -0.35 -0.00 0.00 0.00 174.74 175.65 1sn5 n PRO 99 N 2.81 0.11 -1.66 8.40 -0.04 -1.26 -4.72 135.00 138.64 1sn5 n PRO 99 Ca 0.16 -0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 1sn5 n PRO 99 Cb 0.37 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1sn5 n PRO 99 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sn5 n GLU 100 N -1.42 1.56 -2.58 0.54 0.00 -1.26 -1.23 120.64 116.25 1sn5 n GLU 100 Ca 0.08 0.56 -0.05 0.00 0.00 0.00 0.00 57.16 57.75 1sn5 n GLU 100 Cb 0.33 -2.25 0.01 0.00 0.00 0.00 0.00 31.44 29.52 1sn5 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sn5 n GLY 101 N 1.00 0.50 3.89 -1.84 0.00 -1.26 -3.91 105.19 103.57 1sn5 n GLY 101 Ca 0.09 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1sn5 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sn5 n HIS 102 N -3.32 -1.70 -3.49 1.61 1.44 -1.06 -4.95 115.22 103.76 1sn5 n HIS 102 Ca -0.01 0.69 -0.37 0.00 -2.01 0.00 0.00 57.72 56.02 1sn5 n HIS 102 Cb 0.52 -3.71 -0.07 0.00 0.12 0.00 0.00 29.99 26.85 1sn5 n HIS 102 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1sn5 s ARG 103 N -6.44 4.28 0.15 -1.40 3.00 -0.36 -4.42 118.95 113.76 1sn5 s ARG 103 Ca 0.09 0.17 0.08 0.00 0.00 0.00 0.00 55.73 56.07 1sn5 s ARG 103 Cb -0.03 -3.43 -0.04 0.00 0.00 0.00 0.00 34.95 31.44 1sn5 s ARG 103 CO 0.88 0.22 -0.08 -1.01 0.00 0.00 0.00 175.30 175.30 1sn5 s HIS 104 N 0.51 2.70 -0.05 -0.53 3.76 -0.05 -4.56 115.29 117.08 1sn5 s HIS 104 Ca 0.18 -0.19 0.04 0.00 -0.15 0.00 0.00 55.06 54.95 1sn5 s HIS 104 Cb -0.13 -1.35 -0.02 0.00 1.11 0.00 0.00 32.58 32.18 1sn5 s HIS 104 CO 0.05 0.48 -0.15 0.71 -0.85 0.00 0.00 174.74 174.98 1sn5 s TYR 105 N -1.52 2.68 -0.17 1.40 1.51 0.40 -1.77 117.35 119.88 1sn5 s TYR 105 Ca 0.24 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1sn5 s TYR 105 Cb -0.10 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1sn5 s TYR 105 CO 0.15 0.15 -0.17 0.99 -1.11 0.00 0.00 175.55 175.56 1sn5 s THR 106 N -0.67 1.85 -0.52 -0.71 2.01 -0.23 -0.29 115.64 117.08 1sn5 s THR 106 Ca 0.10 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 1sn5 s THR 106 Cb -0.11 -1.70 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1sn5 s THR 106 CO 0.01 0.50 0.80 -0.76 -0.69 0.00 0.00 174.62 174.48 1sn5 s LEU 107 N 1.37 4.44 -0.01 4.42 1.43 0.57 -1.32 118.68 129.59 1sn5 s LEU 107 Ca 0.05 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 1sn5 s LEU 107 Cb -0.13 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 1sn5 s LEU 107 CO -0.12 -1.07 0.46 0.00 0.23 0.00 0.00 176.35 175.85 1sn5 s ALA 108 N 3.38 3.62 -0.05 4.21 0.00 -0.08 -1.27 121.76 131.57 1sn5 s ALA 108 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1sn5 s ALA 108 Cb -0.15 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.49 1sn5 s ALA 108 CO 0.17 0.35 0.01 -1.17 0.00 0.00 0.00 175.76 175.12 1sn5 s LEU 109 N -0.69 0.72 -0.29 0.00 2.96 -0.29 -1.16 118.68 119.93 1sn5 s LEU 109 Ca 0.25 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1sn5 s LEU 109 Cb -0.17 -0.29 0.03 0.00 0.50 0.00 0.00 46.19 46.26 1sn5 s LEU 109 CO 0.14 -0.17 0.03 -0.22 -1.32 0.00 0.00 176.35 174.81 1sn5 s LEU 110 N 1.63 3.78 -0.18 -0.68 2.96 0.49 -1.24 118.68 125.43 1sn5 s LEU 110 Ca -0.01 -0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 52.89 1sn5 s LEU 110 Cb -0.13 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1sn5 s LEU 110 CO -0.03 -0.21 0.04 -0.76 -1.32 0.00 0.00 176.35 174.06 1sn5 s LEU 111 N 1.39 3.62 0.18 -0.68 1.43 -0.09 -1.14 118.68 123.40 1sn5 s LEU 111 Ca -0.00 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1sn5 s LEU 111 Cb -0.18 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1sn5 s LEU 111 CO 0.00 0.15 -0.15 -0.44 0.23 0.00 0.00 176.35 176.14 1sn5 s SER 112 N 0.53 2.45 0.26 2.29 0.01 0.71 -0.63 113.70 119.33 1sn5 s SER 112 Ca 0.02 -0.96 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 1sn5 s SER 112 Cb -0.13 -0.12 0.51 0.00 0.21 0.00 0.00 66.02 66.48 1sn5 s SER 112 CO 0.01 -0.15 1.75 -0.65 0.41 0.00 0.00 173.24 174.61 1sn5 h PRO 113 N 2.85 0.55 -0.26 12.44 0.11 -1.98 -2.85 132.00 142.86 1sn5 h PRO 113 Ca -0.39 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1sn5 h PRO 113 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1sn5 h PRO 113 CO 0.58 0.36 -0.02 1.19 -0.21 0.00 0.00 178.00 179.91 1sn5 n PHE 114 N -4.91 0.88 -3.63 0.65 3.01 -1.26 -1.16 117.46 111.04 1sn5 n PHE 114 Ca 0.16 -1.11 -0.11 0.00 1.01 0.00 0.00 57.45 57.40 1sn5 n PHE 114 Cb 0.42 -0.35 -0.07 0.00 -0.01 0.00 0.00 39.48 39.48 1sn5 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn5 s SER 115 N -2.23 -0.53 0.03 4.37 0.15 -1.07 -4.95 113.70 109.46 1sn5 s SER 115 Ca 0.42 1.00 -0.02 0.00 0.70 0.00 0.00 55.95 58.05 1sn5 s SER 115 Cb 0.35 1.00 -0.02 0.00 -1.71 0.00 0.00 66.02 65.64 1sn5 s SER 115 CO 0.05 -0.21 -0.00 -0.72 1.20 0.00 0.00 173.24 173.57 1sn5 s TYR 116 N 0.14 0.31 -0.14 3.44 -0.85 -1.26 -0.20 117.35 118.79 1sn5 s TYR 116 Ca 0.02 -0.66 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 1sn5 s TYR 116 Cb -0.05 -0.23 -0.00 0.00 0.38 0.00 0.00 41.96 42.06 1sn5 s TYR 116 CO -0.03 -0.28 -0.18 0.99 -1.52 0.00 0.00 175.55 174.53 1sn5 s THR 117 N -2.35 2.52 -0.20 -3.49 2.01 -0.29 -4.94 115.64 108.90 1sn5 s THR 117 Ca -0.08 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1sn5 s THR 117 Cb -0.03 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1sn5 s THR 117 CO -0.04 0.53 -0.08 0.28 -0.69 0.00 0.00 174.62 174.62 1sn5 s THR 118 N 0.65 3.14 0.12 -0.82 -1.32 -1.26 -0.38 115.64 115.77 1sn5 s THR 118 Ca -0.09 -0.58 0.05 0.00 -1.21 0.00 0.00 61.69 59.86 1sn5 s THR 118 Cb -0.16 -2.40 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 1sn5 s THR 118 CO 0.02 0.46 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.88 1sn5 s THR 119 N 1.27 1.16 -0.02 5.08 2.01 -0.31 -5.02 115.64 119.82 1sn5 s THR 119 Ca 0.03 -1.76 0.06 0.00 0.31 0.00 0.00 61.69 60.33 1sn5 s THR 119 Cb -0.14 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1sn5 s THR 119 CO -0.03 -0.53 -0.18 0.00 -0.69 0.00 0.00 174.62 173.18 1sn5 s ALA 120 N -2.49 1.52 -0.15 7.40 0.00 -1.26 -0.91 121.76 125.87 1sn5 s ALA 120 Ca 0.09 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1sn5 s ALA 120 Cb -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1sn5 s ALA 120 CO 0.02 0.37 -0.18 0.08 0.00 0.00 0.00 175.76 176.04 1sn5 s VAL 121 N -0.40 2.37 -0.23 0.00 1.01 -0.43 -4.98 120.40 117.73 1sn5 s VAL 121 Ca 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1sn5 s VAL 121 Cb -0.07 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1sn5 s VAL 121 CO -0.01 0.53 -0.02 -0.69 0.00 0.00 0.00 175.10 174.91 1sn5 s VAL 122 N 0.90 3.50 0.17 2.92 1.01 -1.26 -1.07 120.40 126.57 1sn5 s VAL 122 Ca -0.04 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1sn5 s VAL 122 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1sn5 s VAL 122 CO -0.03 0.36 -0.18 -0.94 0.00 0.00 0.00 175.10 174.32 1sn5 s SER 123 N 1.48 2.71 0.00 3.32 1.04 -0.73 -4.96 113.70 116.57 1sn5 s SER 123 Ca 0.05 -0.88 0.27 0.00 0.48 0.00 0.00 55.95 55.87 1sn5 s SER 123 Cb -0.15 -0.16 0.86 0.00 0.10 0.00 0.00 66.02 66.67 1sn5 s SER 123 CO -0.02 -0.04 1.64 -1.54 0.98 0.00 0.00 173.24 174.26 1sn5 n SER 124 N 0.21 0.58 0.00 7.02 3.41 -1.26 -0.87 113.62 122.71 1sn5 n SER 124 Ca -0.12 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1sn5 n SER 124 Cb 0.57 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1sn5 n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21