#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 -4.31 0.00 0.11 -1.89 -3.41 132.00 122.50 1sn5 h PRO 11 Ca 0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 1sn5 h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 30.72 1sn5 h PRO 11 CO 0.00 0.00 -0.77 -1.17 -0.21 0.00 0.00 178.00 175.85 1sn5 s LEU 12 N -5.93 3.03 0.24 2.35 2.96 -1.26 0.71 118.68 120.80 1sn5 s LEU 12 Ca 0.04 -1.48 0.10 0.00 -0.22 0.00 0.00 54.13 52.56 1sn5 s LEU 12 Cb 0.08 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1sn5 s LEU 12 CO 0.57 -0.30 -0.05 -0.04 -1.32 0.00 0.00 176.35 175.21 1sn5 s MET 13 N 1.31 2.17 0.13 1.98 -1.94 0.16 -4.62 119.30 118.49 1sn5 s MET 13 Ca 0.00 -1.41 0.06 0.00 -1.71 0.00 0.00 55.69 52.63 1sn5 s MET 13 Cb -0.19 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 1sn5 s MET 13 CO -0.10 0.38 -0.14 0.14 -0.01 0.00 0.00 175.02 175.29 1sn5 s VAL 14 N -2.18 1.40 -0.24 -6.03 -7.23 -1.26 -0.44 120.40 104.41 1sn5 s VAL 14 Ca 0.30 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1sn5 s VAL 14 Cb -0.07 -1.61 0.11 0.00 0.56 0.00 0.00 36.38 35.38 1sn5 s VAL 14 CO 0.18 -0.43 0.26 -0.75 -0.31 0.00 0.00 175.10 174.05 1sn5 s LYS 15 N -2.78 0.25 -0.19 4.82 2.47 -0.50 -4.32 119.74 119.49 1sn5 s LYS 15 Ca 0.11 0.07 -0.06 0.00 -1.56 0.00 0.00 55.97 54.53 1sn5 s LYS 15 Cb -0.04 -0.94 -0.03 0.00 -1.46 0.00 0.00 37.83 35.36 1sn5 s LYS 15 CO 0.03 -0.81 0.02 0.42 0.16 0.00 0.00 175.35 175.18 1sn5 s ILE 16 N 2.35 4.22 0.08 5.43 1.01 -0.24 -0.91 121.20 133.15 1sn5 s ILE 16 Ca 0.08 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.59 1sn5 s ILE 16 Cb -0.15 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1sn5 s ILE 16 CO -0.21 0.44 -0.17 -0.76 0.00 0.00 0.00 174.94 174.23 1sn5 s LEU 17 N 0.79 2.69 -0.36 2.97 1.43 0.39 -0.59 118.68 125.99 1sn5 s LEU 17 Ca 0.01 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1sn5 s LEU 17 Cb -0.14 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1sn5 s LEU 17 CO 0.02 0.22 0.28 -0.62 0.23 0.00 0.00 176.35 176.48 1sn5 s ASP 18 N -1.80 6.10 0.06 2.29 -1.08 0.41 -0.74 116.67 121.90 1sn5 s ASP 18 Ca 0.17 -0.53 0.27 0.00 -0.52 0.00 0.00 52.55 51.93 1sn5 s ASP 18 Cb -0.11 -2.16 1.08 0.00 -1.46 0.00 0.00 42.92 40.28 1sn5 s ASP 18 CO 0.08 -0.32 1.85 0.00 0.52 0.00 0.00 175.17 177.30 1sn5 n ALA 19 N 5.18 2.24 -0.07 3.66 0.00 0.64 -0.63 120.51 131.52 1sn5 n ALA 19 Ca -0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 1sn5 n ALA 19 Cb 0.49 -1.45 -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 h VAL 20 N 0.00 1.35 0.00 0.00 2.07 -1.93 -3.39 116.25 114.34 1sn5 h VAL 20 Ca 0.00 -2.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.20 1sn5 h VAL 20 Cb 0.53 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1sn5 h VAL 20 CO 0.00 0.50 -0.76 0.11 0.02 0.00 0.00 177.57 177.43 1sn5 h LYS 21 N -0.92 0.00 -2.73 1.57 1.57 -1.93 -3.48 116.57 110.65 1sn5 h LYS 21 Ca -0.18 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.40 1sn5 h LYS 21 Cb 1.22 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.57 1sn5 h LYS 21 CO -0.08 0.07 -0.31 0.41 -0.57 0.00 0.00 179.45 178.98 1sn5 n GLY 22 N 1.19 0.13 3.21 3.86 0.00 0.19 -5.04 105.19 108.74 1sn5 n GLY 22 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.94 0.31 0.74 2.61 -4.23 -1.21 -4.99 115.64 105.92 1sn5 s THR 23 Ca 0.19 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1sn5 s THR 23 Cb -0.08 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.54 1sn5 s THR 23 CO 0.24 -0.30 1.17 -2.84 -0.54 0.00 0.00 174.62 172.35 1sn5 s PRO 24 N -4.03 2.16 -0.56 3.99 0.02 -1.26 -0.44 135.00 134.88 1sn5 s PRO 24 Ca 0.29 1.63 -0.21 0.00 0.02 0.00 0.00 61.00 62.73 1sn5 s PRO 24 Cb 0.07 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.80 1sn5 s PRO 24 CO 0.06 -1.79 0.79 0.00 -0.33 0.00 0.00 177.00 175.74 1sn5 s ALA 25 N -2.18 3.27 0.39 -1.55 0.00 0.24 -4.57 121.76 117.36 1sn5 s ALA 25 Ca 0.71 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1sn5 s ALA 25 Cb -0.26 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.20 1sn5 s ALA 25 CO 0.46 -2.31 0.79 0.20 0.00 0.00 0.00 175.76 174.91 1sn5 s GLY 26 N 3.05 2.11 -1.51 0.00 0.00 -1.26 -4.24 107.32 105.46 1sn5 s GLY 26 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.84 1sn5 s GLY 26 CO 0.13 0.16 0.43 1.44 0.00 0.00 0.00 173.10 175.26 1sn5 n SER 27 N -0.97 -5.80 -4.64 1.64 7.64 0.75 -4.94 113.62 107.30 1sn5 n SER 27 Ca 0.03 -0.21 -0.40 0.00 1.01 0.00 0.00 58.87 59.31 1sn5 n SER 27 Cb 0.54 -4.67 -0.06 0.00 -1.01 0.00 0.00 64.21 59.00 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 -3.10 5.02 0.16 0.44 1.01 -1.26 -4.74 120.40 117.92 1sn5 s VAL 28 Ca 0.21 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1sn5 s VAL 28 Cb -0.09 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1sn5 s VAL 28 CO 0.26 0.07 0.96 0.00 0.00 0.00 0.00 175.10 176.39 1sn5 s ALA 29 N 2.22 3.28 0.10 5.51 0.00 -1.26 -1.57 121.76 130.04 1sn5 s ALA 29 Ca 0.26 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 1sn5 s ALA 29 Cb -0.16 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1sn5 s ALA 29 CO 0.09 0.05 0.08 -0.48 0.00 0.00 0.00 175.76 175.50 1sn5 s LEU 30 N -0.42 1.85 -0.04 0.00 0.05 -0.26 0.40 118.68 120.27 1sn5 s LEU 30 Ca 0.45 -1.02 -0.05 0.00 0.05 0.00 0.00 54.13 53.56 1sn5 s LEU 30 Cb -0.24 0.49 0.01 0.00 -2.05 0.00 0.00 46.19 44.39 1sn5 s LEU 30 CO 0.31 -0.71 0.13 -1.59 -0.55 0.00 0.00 176.35 173.94 1sn5 s LYS 31 N -3.97 0.22 -0.20 1.48 -2.85 -0.65 -1.30 119.74 112.46 1sn5 s LYS 31 Ca 0.15 0.06 -0.04 0.00 -1.00 0.00 0.00 55.97 55.14 1sn5 s LYS 31 Cb 0.07 0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.92 1sn5 s LYS 31 CO -0.04 -0.04 -0.02 0.08 0.10 0.00 0.00 175.35 175.43 1sn5 s VAL 32 N -0.22 3.74 0.16 1.79 1.01 0.40 -1.34 120.40 125.94 1sn5 s VAL 32 Ca -0.03 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 61.67 1sn5 s VAL 32 Cb -0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1sn5 s VAL 32 CO 0.00 0.43 -0.23 -0.44 0.00 0.00 0.00 175.10 174.87 1sn5 s SER 33 N 1.08 3.53 -0.09 3.32 0.01 0.79 -0.57 113.70 121.77 1sn5 s SER 33 Ca 0.02 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.55 1sn5 s SER 33 Cb -0.14 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 1sn5 s SER 33 CO 0.01 0.15 -0.17 -1.58 0.41 0.00 0.00 173.24 172.06 1sn5 s GLN 34 N -2.39 2.89 0.20 12.44 0.74 0.97 -1.16 119.66 133.35 1sn5 s GLN 34 Ca 0.18 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 1sn5 s GLN 34 Cb -0.09 -2.42 -0.08 0.00 1.10 0.00 0.00 33.01 31.51 1sn5 s GLN 34 CO 0.09 0.38 1.25 0.21 -0.55 0.00 0.00 175.29 176.67 1sn5 s LYS 35 N -0.11 4.45 0.46 1.67 2.20 0.20 -0.84 119.74 127.76 1sn5 s LYS 35 Ca -0.03 1.96 0.07 0.00 -0.36 0.00 0.00 55.97 57.61 1sn5 s LYS 35 Cb -0.14 -3.21 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1sn5 s LYS 35 CO 0.04 -0.15 0.63 0.95 -0.36 0.00 0.00 175.35 176.45 1sn5 s THR 36 N -0.07 2.87 0.29 3.43 -4.23 0.12 -4.76 115.64 113.29 1sn5 s THR 36 Ca 0.54 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1sn5 s THR 36 Cb -0.35 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 70.84 1sn5 s THR 36 CO 0.38 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.20 1sn5 h ALA 37 N 0.48 1.52 -0.01 3.99 0.00 -1.96 -0.30 119.26 122.99 1sn5 h ALA 37 Ca -0.40 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sn5 h ALA 37 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1sn5 h ALA 37 CO 0.46 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1sn5 n ASP 38 N -4.91 0.13 0.00 0.00 5.68 -1.26 -4.87 116.55 111.32 1sn5 n ASP 38 Ca 0.22 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 1sn5 n ASP 38 Cb 0.61 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1sn5 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sn5 n GLY 39 N 0.88 0.43 3.53 6.12 0.00 -0.12 -5.07 105.19 110.96 1sn5 n GLY 39 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 -0.82 3.36 -0.02 0.00 -1.26 -4.71 105.19 99.73 1sn5 n GLY 40 Ca 0.00 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.40 2.59 -0.13 1.61 0.52 -1.26 0.14 118.94 119.00 1sn5 s TRP 41 Ca 0.66 -0.51 0.02 0.00 0.02 0.00 0.00 56.10 56.30 1sn5 s TRP 41 Cb -0.02 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1sn5 s TRP 41 CO 0.46 -0.08 -0.21 -0.08 0.02 0.00 0.00 176.95 177.06 1sn5 s THR 42 N -0.27 1.94 0.07 2.01 -1.32 -0.02 -4.93 115.64 113.12 1sn5 s THR 42 Ca 0.01 -0.91 -0.31 0.00 -1.21 0.00 0.00 61.69 59.27 1sn5 s THR 42 Cb -0.13 -1.73 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 1sn5 s THR 42 CO 0.03 0.53 1.25 -1.58 -2.21 0.00 0.00 174.62 172.64 1sn5 s GLN 43 N 0.84 4.40 -0.00 7.08 0.74 -1.26 -0.02 119.66 131.44 1sn5 s GLN 43 Ca -0.07 1.85 0.04 0.00 0.05 0.00 0.00 55.36 57.23 1sn5 s GLN 43 Cb -0.15 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 1sn5 s GLN 43 CO -0.02 -0.31 0.19 0.44 -0.55 0.00 0.00 175.29 175.04 1sn5 n ILE 44 N 3.96 0.00 -3.56 -2.34 -5.35 0.26 -4.93 119.36 107.40 1sn5 n ILE 44 Ca 0.10 -0.39 -0.07 0.00 -0.27 0.00 0.00 62.75 62.12 1sn5 n ILE 44 Cb 0.45 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.32 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 -1.43 -1.96 0.19 -1.28 0.00 -1.16 -4.99 121.76 111.13 1sn5 s ALA 45 Ca 0.02 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 1sn5 s ALA 45 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1sn5 s ALA 45 CO 0.18 -0.56 0.09 0.95 0.00 0.00 0.00 175.76 176.42 1sn5 s THR 46 N -2.37 0.20 -0.01 0.00 -4.23 -1.26 -0.45 115.64 107.51 1sn5 s THR 46 Ca 0.06 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 1sn5 s THR 46 Cb -0.01 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.55 1sn5 s THR 46 CO -0.05 -0.15 1.28 -0.83 -0.54 0.00 0.00 174.62 174.32 1sn5 s GLY 47 N -3.17 -0.17 -0.02 3.99 0.00 -0.42 -4.97 107.32 102.57 1sn5 s GLY 47 Ca 0.34 0.14 -0.00 0.00 0.00 0.00 0.00 44.72 45.20 1sn5 s GLY 47 CO 0.09 4.54 0.03 0.14 0.00 0.00 0.00 173.10 177.90 1sn5 s VAL 48 N -2.09 -0.05 0.44 1.40 1.01 -1.26 -1.10 120.40 118.75 1sn5 s VAL 48 Ca 0.26 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 1sn5 s VAL 48 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.23 1sn5 s VAL 48 CO -0.01 0.07 1.25 0.42 0.00 0.00 0.00 175.10 176.83 1sn5 s THR 49 N 0.87 2.76 0.50 3.92 -4.23 -0.61 -4.82 115.64 114.04 1sn5 s THR 49 Ca -0.07 0.63 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 1sn5 s THR 49 Cb -0.10 -3.35 0.11 0.00 1.34 0.00 0.00 72.50 70.50 1sn5 s THR 49 CO -0.03 0.05 0.68 -0.90 -0.54 0.00 0.00 174.62 173.89 1sn5 n ASP 50 N -0.18 0.13 0.10 3.99 5.68 -0.23 -0.18 116.55 125.86 1sn5 n ASP 50 Ca 0.06 -1.30 0.09 0.00 -0.50 0.00 0.00 54.79 53.14 1sn5 n ASP 50 Cb 0.45 -0.51 0.42 0.00 -1.14 0.00 0.00 41.12 40.34 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 -3.39 1.44 -0.01 2.12 0.00 -1.26 -0.69 120.51 118.70 1sn5 n ALA 51 Ca -0.11 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1sn5 n ALA 51 Cb 0.31 -1.29 0.29 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.00 0.80 -1.61 0.00 -2.24 -1.26 -4.56 114.28 103.41 1sn5 n THR 52 Ca 0.01 -0.86 -0.11 0.00 -2.27 0.00 0.00 64.05 60.83 1sn5 n THR 52 Cb 0.14 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.55 0.77 3.60 3.38 0.00 0.13 -4.71 105.19 109.91 1sn5 n GLY 53 Ca 0.22 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.45 1.94 -0.14 1.61 2.02 -1.26 -1.07 118.70 118.36 1sn5 s GLU 54 Ca 0.00 -1.93 -0.01 0.00 0.02 0.00 0.00 54.97 53.04 1sn5 s GLU 54 Cb 0.00 -1.76 0.04 0.00 0.10 0.00 0.00 34.13 32.51 1sn5 s GLU 54 CO 0.00 0.07 -0.02 0.42 0.02 0.00 0.00 175.26 175.75 1sn5 s ILE 55 N -2.61 0.76 0.12 -1.63 1.01 -1.26 -1.07 121.20 116.51 1sn5 s ILE 55 Ca 0.34 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1sn5 s ILE 55 Cb 0.04 -0.99 -0.07 0.00 0.01 0.00 0.00 42.46 41.45 1sn5 s ILE 55 CO 0.18 0.12 0.62 -1.00 0.00 0.00 0.00 174.94 174.85 1sn5 s HIS 56 N 1.79 3.77 -1.35 3.97 3.76 -1.26 -4.12 115.29 121.85 1sn5 s HIS 56 Ca 0.02 1.31 -0.03 0.00 -0.15 0.00 0.00 55.06 56.21 1sn5 s HIS 56 Cb -0.14 -2.53 0.02 0.00 1.11 0.00 0.00 32.58 31.03 1sn5 s HIS 56 CO -0.07 0.52 0.76 0.09 -0.85 0.00 0.00 174.74 175.19 1sn5 n ASN 57 N 1.40 -1.92 0.35 1.40 4.13 -1.26 -4.90 115.26 114.46 1sn5 n ASN 57 Ca -0.08 -0.80 -0.18 0.00 1.68 0.00 0.00 54.58 55.20 1sn5 n ASN 57 Cb 0.51 -4.06 -0.09 0.00 -1.54 0.00 0.00 39.78 34.60 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 -1.93 -0.95 -8.37 3.41 5.85 -1.82 -3.46 115.31 108.05 1sn5 h LEU 58 Ca -0.60 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.00 1sn5 h LEU 58 Cb 1.36 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 42.52 1sn5 h LEU 58 CO 0.58 -0.59 -0.60 0.27 -0.34 0.00 0.00 178.44 177.75 1sn5 s ILE 59 N -6.01 0.10 0.34 4.05 -4.36 -1.26 -4.84 121.20 109.22 1sn5 s ILE 59 Ca -0.18 -1.83 0.07 0.00 -0.26 0.00 0.00 60.65 58.45 1sn5 s ILE 59 Cb 0.04 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 1sn5 s ILE 59 CO 0.62 -0.47 0.41 0.42 0.24 0.00 0.00 174.94 176.16 1sn5 s THR 60 N -4.03 3.81 0.44 8.37 -4.23 -1.26 -4.43 115.64 114.32 1sn5 s THR 60 Ca 0.22 -1.13 0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1sn5 s THR 60 Cb 0.07 -3.31 0.33 0.00 1.34 0.00 0.00 72.50 70.93 1sn5 s THR 60 CO 0.01 -0.15 1.99 -0.33 -0.54 0.00 0.00 174.62 175.60 1sn5 h GLU 61 N 1.01 0.36 -0.66 3.99 5.08 -1.99 -0.32 114.58 122.06 1sn5 h GLU 61 Ca -0.45 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1sn5 h GLU 61 Cb 1.26 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1sn5 h GLU 61 CO 0.55 0.24 0.33 0.37 -1.00 0.00 0.00 179.01 179.49 1sn5 h GLN 62 N 0.38 0.93 -0.00 2.33 4.15 -2.03 -1.75 115.11 119.11 1sn5 h GLN 62 Ca 0.26 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1sn5 h GLN 62 Cb 0.51 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1sn5 h GLN 62 CO -0.07 0.71 -0.07 1.04 -1.93 0.00 0.00 178.83 178.51 1sn5 n GLN 63 N -4.35 0.62 -3.00 1.69 6.02 -0.16 -4.43 117.38 113.78 1sn5 n GLN 63 Ca 0.06 -0.15 -0.27 0.00 -0.01 0.00 0.00 57.00 56.63 1sn5 n GLN 63 Cb 0.12 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.06 3.82 -1.55 1.08 7.35 -0.66 -4.94 117.46 121.51 1sn5 n PHE 64 Ca 0.15 -4.00 -0.29 0.00 -0.76 0.00 0.00 57.45 52.54 1sn5 n PHE 64 Cb 0.26 -0.49 0.11 0.00 0.35 0.00 0.00 39.48 39.71 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 -3.33 1.60 0.42 -7.13 0.04 -1.26 -4.67 135.00 120.67 1sn5 s PRO 65 Ca 0.48 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 1sn5 s PRO 65 Cb 0.27 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.82 1sn5 s PRO 65 CO -0.13 -1.91 0.94 0.00 0.04 0.00 0.00 177.00 175.95 1sn5 n ALA 66 N -3.60 -0.07 0.00 8.56 0.00 -1.26 -4.83 120.51 119.31 1sn5 n ALA 66 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1sn5 n ALA 66 Cb 0.58 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.27 -1.15 3.76 0.00 0.00 -0.92 -4.98 105.19 103.18 1sn5 n GLY 67 Ca 0.10 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.19 5.39 0.17 1.61 1.01 -1.26 0.10 120.40 125.23 1sn5 s VAL 68 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1sn5 s VAL 68 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1sn5 s VAL 68 CO 0.00 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 1sn5 s TYR 69 N -0.01 1.74 -0.09 5.22 1.51 0.65 -0.63 117.35 125.73 1sn5 s TYR 69 Ca 0.10 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1sn5 s TYR 69 Cb -0.11 -0.85 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1sn5 s TYR 69 CO -0.00 0.31 -0.05 0.50 -1.11 0.00 0.00 175.55 175.20 1sn5 s ARG 70 N -2.99 1.19 -0.21 -0.62 3.52 -0.31 -1.00 118.95 118.53 1sn5 s ARG 70 Ca 0.16 -0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1sn5 s ARG 70 Cb -0.04 -1.29 -0.01 0.00 -1.56 0.00 0.00 34.95 32.05 1sn5 s ARG 70 CO 0.06 -0.22 -0.06 0.08 -0.81 0.00 0.00 175.30 174.35 1sn5 s VAL 71 N 1.55 3.27 -0.18 7.11 1.01 0.80 -0.15 120.40 133.82 1sn5 s VAL 71 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1sn5 s VAL 71 Cb -0.13 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1sn5 s VAL 71 CO -0.05 0.44 -0.08 -0.70 0.00 0.00 0.00 175.10 174.71 1sn5 s GLU 72 N 1.34 3.41 -0.16 2.72 2.12 -0.45 -0.18 118.70 127.51 1sn5 s GLU 72 Ca 0.04 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 1sn5 s GLU 72 Cb -0.14 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1sn5 s GLU 72 CO -0.03 0.01 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.61 1sn5 s PHE 73 N 0.91 3.03 -1.34 5.30 0.40 0.74 -1.64 117.98 125.37 1sn5 s PHE 73 Ca -0.02 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 1sn5 s PHE 73 Cb -0.15 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.45 1sn5 s PHE 73 CO 0.00 -0.06 1.94 -3.47 0.70 0.00 0.00 175.22 174.33 1sn5 n ASP 74 N 3.63 4.37 0.07 1.36 2.03 0.16 -1.30 116.55 126.87 1sn5 n ASP 74 Ca -0.17 -2.87 -0.08 0.00 0.52 0.00 0.00 54.79 52.18 1sn5 n ASP 74 Cb 0.52 -1.69 0.05 0.00 -0.72 0.00 0.00 41.12 39.28 1sn5 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1sn5 h THR 75 N 4.95 1.40 -0.29 5.18 1.35 -1.85 -3.08 112.91 120.57 1sn5 h THR 75 Ca 0.49 -2.18 0.06 0.00 -0.55 0.00 0.00 66.41 64.22 1sn5 h THR 75 Cb 0.78 2.14 -0.06 0.00 -1.73 0.00 0.00 68.15 69.28 1sn5 h THR 75 CO 1.63 0.65 -0.08 0.50 -0.25 0.00 0.00 175.52 177.97 1sn5 h LYS 76 N 0.22 -0.01 -0.92 4.72 3.64 -1.71 -1.09 116.57 121.41 1sn5 h LYS 76 Ca -0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1sn5 h LYS 76 Cb 1.28 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 1sn5 h LYS 76 CO 0.12 -0.01 0.61 0.00 -2.27 0.00 0.00 179.45 177.90 1sn5 h ALA 77 N 1.27 1.18 -0.35 5.00 0.00 -1.87 0.04 119.26 124.54 1sn5 h ALA 77 Ca 0.14 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sn5 h ALA 77 Cb 0.23 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1sn5 h ALA 77 CO -0.31 0.54 0.19 -0.92 0.00 0.00 0.00 179.25 178.75 1sn5 h TYR 78 N 1.23 0.35 -0.19 0.00 3.20 -1.28 0.04 116.97 120.32 1sn5 h TYR 78 Ca 0.35 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 62.02 1sn5 h TYR 78 Cb -0.11 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.06 1sn5 h TYR 78 CO -0.01 0.20 -0.69 -1.49 -1.64 0.00 0.00 178.16 174.53 1sn5 h TRP 79 N 0.38 1.05 -0.94 -3.82 4.06 -0.88 -2.02 115.95 113.79 1sn5 h TRP 79 Ca 0.14 -0.44 0.08 0.00 2.06 0.00 0.00 58.89 60.73 1sn5 h TRP 79 Cb 0.03 -0.17 -0.07 0.00 -1.00 0.00 0.00 29.16 27.95 1sn5 h TRP 79 CO -0.09 1.27 0.59 1.15 -3.56 0.00 0.00 178.44 177.80 1sn5 h THR 80 N 0.53 1.02 -0.23 1.49 2.02 -0.85 0.63 112.91 117.52 1sn5 h THR 80 Ca -0.03 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.66 1sn5 h THR 80 Cb 1.31 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1sn5 h THR 80 CO 0.14 0.19 -0.41 -1.13 0.37 0.00 0.00 175.52 174.68 1sn5 h ASN 81 N 1.03 0.58 0.77 4.18 -0.73 -0.87 -2.49 115.58 118.06 1sn5 h ASN 81 Ca 0.42 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.33 1sn5 h ASN 81 Cb 0.26 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1sn5 h ASN 81 CO -0.20 0.93 0.00 0.00 -0.37 0.00 0.00 177.43 177.79 1sn5 n GLN 82 N -4.02 0.11 -0.24 6.67 1.13 -0.51 -4.91 117.38 115.61 1sn5 n GLN 82 Ca -0.02 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1sn5 n GLN 82 Cb 0.52 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 0.35 0.87 3.71 1.08 0.00 -0.00 -5.06 105.19 106.14 1sn5 n GLY 83 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.03 5.02 -0.28 1.61 0.01 0.00 -4.99 113.70 113.05 1sn5 s SER 84 Ca 0.00 -0.32 -0.12 0.00 1.31 0.00 0.00 55.95 56.82 1sn5 s SER 84 Cb 0.00 -1.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1sn5 s SER 84 CO 0.00 0.07 0.23 -0.89 0.41 0.00 0.00 173.24 173.06 1sn5 s THR 85 N -1.78 5.28 0.44 1.44 2.01 -1.26 -3.42 115.64 118.36 1sn5 s THR 85 Ca 0.29 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.60 1sn5 s THR 85 Cb -0.09 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1sn5 s THR 85 CO 0.20 0.23 0.61 -2.16 -0.69 0.00 0.00 174.62 172.82 1sn5 s PRO 86 N 1.81 2.80 -0.15 4.92 0.04 -1.26 -4.84 135.00 138.32 1sn5 s PRO 86 Ca 0.09 -1.07 -0.20 0.00 0.04 0.00 0.00 61.00 59.85 1sn5 s PRO 86 Cb -0.16 -2.69 -0.17 0.00 0.04 0.00 0.00 34.50 31.51 1sn5 s PRO 86 CO 0.11 -0.34 0.42 0.35 0.04 0.00 0.00 177.00 177.57 1sn5 h PHE 87 N 0.52 0.00 -3.81 0.56 3.57 -1.32 -3.48 116.94 112.99 1sn5 h PHE 87 Ca -0.41 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.61 1sn5 h PHE 87 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1sn5 h PHE 87 CO 0.40 0.82 0.31 -1.01 -2.23 0.00 0.00 178.31 176.59 1sn5 s HIS 88 N -2.11 3.74 0.12 0.41 3.76 -1.26 -4.95 115.29 114.99 1sn5 s HIS 88 Ca -0.17 1.74 0.13 0.00 -0.15 0.00 0.00 55.06 56.62 1sn5 s HIS 88 Cb -0.00 -2.88 0.29 0.00 1.11 0.00 0.00 32.58 31.09 1sn5 s HIS 88 CO 0.49 0.28 1.55 0.93 -0.85 0.00 0.00 174.74 177.13 1sn5 h GLU 89 N 3.39 0.00 -2.02 1.40 4.39 -1.98 -3.36 114.58 116.40 1sn5 h GLU 89 Ca -0.47 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.42 1sn5 h GLU 89 Cb 1.19 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.71 1sn5 h GLU 89 CO 0.65 0.59 0.60 0.54 -1.16 0.00 0.00 179.01 180.24 1sn5 s VAL 90 N -3.29 0.00 -0.16 3.13 0.11 -1.26 -3.85 120.40 115.08 1sn5 s VAL 90 Ca 0.01 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1sn5 s VAL 90 Cb 0.10 -1.43 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 1sn5 s VAL 90 CO 0.75 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 172.41 1sn5 s ALA 91 N -2.93 2.67 -0.16 1.54 0.00 -0.42 -4.88 121.76 117.58 1sn5 s ALA 91 Ca 0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1sn5 s ALA 91 Cb -0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1sn5 s ALA 91 CO -0.04 0.00 -0.13 -1.21 0.00 0.00 0.00 175.76 174.38 1sn5 s GLU 92 N 0.75 3.28 -0.25 0.00 0.41 -1.26 -0.19 118.70 121.45 1sn5 s GLU 92 Ca -0.05 -0.71 0.03 0.00 -0.41 0.00 0.00 54.97 53.83 1sn5 s GLU 92 Cb -0.15 -2.69 0.05 0.00 -1.78 0.00 0.00 34.13 29.57 1sn5 s GLU 92 CO 0.01 0.03 -0.12 0.08 -0.49 0.00 0.00 175.26 174.77 1sn5 s VAL 93 N 0.81 2.13 -0.14 2.63 1.01 0.75 -4.98 120.40 122.61 1sn5 s VAL 93 Ca -0.05 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.41 1sn5 s VAL 93 Cb -0.15 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1sn5 s VAL 93 CO 0.00 0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.29 1sn5 s VAL 94 N 1.14 2.58 0.03 2.92 1.01 -1.26 -0.14 120.40 126.67 1sn5 s VAL 94 Ca -0.07 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 1sn5 s VAL 94 Cb -0.19 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1sn5 s VAL 94 CO -0.06 0.52 0.51 0.72 0.00 0.00 0.00 175.10 176.80 1sn5 s PHE 95 N 0.70 -0.42 -0.18 5.22 -0.71 -0.17 -4.99 117.98 117.43 1sn5 s PHE 95 Ca -0.08 0.53 -0.20 0.00 -1.04 0.00 0.00 56.93 56.14 1sn5 s PHE 95 Cb -0.16 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 1sn5 s PHE 95 CO 0.01 -0.61 0.60 0.34 -1.34 0.00 0.00 175.22 174.23 1sn5 s ASP 96 N -1.79 6.69 -0.06 1.98 -1.08 -1.26 -0.26 116.67 120.89 1sn5 s ASP 96 Ca -0.07 0.84 -0.05 0.00 -0.52 0.00 0.00 52.55 52.74 1sn5 s ASP 96 Cb -0.01 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 1sn5 s ASP 96 CO 0.01 -0.22 0.17 0.00 0.52 0.00 0.00 175.17 175.65 1sn5 s ALA 97 N 1.64 3.91 -0.48 3.66 0.00 0.28 -4.96 121.76 125.81 1sn5 s ALA 97 Ca 0.28 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.64 1sn5 s ALA 97 Cb -0.16 -1.95 0.26 0.00 0.00 0.00 0.00 23.12 21.27 1sn5 s ALA 97 CO 0.11 0.67 0.63 0.72 0.00 0.00 0.00 175.76 177.89 1sn5 n HIS 98 N 1.48 1.26 0.75 0.00 -0.00 -1.26 -2.16 115.22 115.29 1sn5 n HIS 98 Ca -0.15 -3.80 0.13 0.00 -0.00 0.00 0.00 57.72 53.89 1sn5 n HIS 98 Cb 0.54 -0.43 0.49 0.00 -0.00 0.00 0.00 29.99 30.58 1sn5 n HIS 98 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1sn5 n PRO 99 N 1.09 0.15 -1.70 -0.41 -0.02 -1.26 -4.74 135.00 128.10 1sn5 n PRO 99 Ca 0.25 0.14 -0.57 0.00 -2.02 0.00 0.00 63.50 61.30 1sn5 n PRO 99 Cb 0.49 -1.68 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 1sn5 n PRO 99 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sn5 n GLU 100 N -1.95 1.14 0.00 -0.52 -0.58 -1.26 -2.07 120.64 115.40 1sn5 n GLU 100 Ca 0.06 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1sn5 n GLU 100 Cb 0.38 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1sn5 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sn5 n GLY 101 N 4.31 1.98 2.79 0.62 0.00 -1.26 -4.51 105.19 109.12 1sn5 n GLY 101 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 1sn5 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sn5 n HIS 102 N -0.97 -1.62 -2.56 1.61 8.25 -0.90 -4.96 115.22 114.07 1sn5 n HIS 102 Ca 0.00 0.40 -0.43 0.00 -0.26 0.00 0.00 57.72 57.43 1sn5 n HIS 102 Cb 0.00 -4.03 -0.02 0.00 1.12 0.00 0.00 29.99 27.06 1sn5 n HIS 102 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1sn5 s ARG 103 N -5.48 4.03 0.20 -0.41 6.06 -0.88 -5.02 118.95 117.46 1sn5 s ARG 103 Ca 0.23 1.16 -0.13 0.00 -2.50 0.00 0.00 55.73 54.50 1sn5 s ARG 103 Cb -0.10 -3.78 -0.07 0.00 0.06 0.00 0.00 34.95 31.05 1sn5 s ARG 103 CO 0.29 -0.96 0.57 -1.01 -2.50 0.00 0.00 175.30 171.69 1sn5 s HIS 104 N 3.87 3.51 -0.10 5.12 3.76 -0.10 -4.66 115.29 126.70 1sn5 s HIS 104 Ca 0.49 1.01 0.02 0.00 -0.15 0.00 0.00 55.06 56.44 1sn5 s HIS 104 Cb -0.14 -2.35 0.01 0.00 1.11 0.00 0.00 32.58 31.21 1sn5 s HIS 104 CO 0.18 0.33 -0.17 0.71 -0.85 0.00 0.00 174.74 174.94 1sn5 s TYR 105 N -1.65 2.03 -0.21 1.40 1.51 0.22 -1.50 117.35 119.15 1sn5 s TYR 105 Ca 0.43 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1sn5 s TYR 105 Cb -0.13 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1sn5 s TYR 105 CO 0.20 -0.42 -0.14 0.99 -1.11 0.00 0.00 175.55 175.07 1sn5 s THR 106 N 0.74 2.44 -0.54 -0.71 2.01 -0.37 0.35 115.64 119.56 1sn5 s THR 106 Ca -0.12 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.69 1sn5 s THR 106 Cb -0.16 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.27 1sn5 s THR 106 CO 0.02 0.37 0.73 -0.76 -0.69 0.00 0.00 174.62 174.30 1sn5 s LEU 107 N 1.30 4.76 -0.08 4.42 1.02 0.42 -1.45 118.68 129.06 1sn5 s LEU 107 Ca 0.02 -0.83 -0.16 0.00 0.02 0.00 0.00 54.13 53.18 1sn5 s LEU 107 Cb -0.15 -2.52 -0.05 0.00 0.02 0.00 0.00 46.19 43.49 1sn5 s LEU 107 CO -0.09 -1.03 0.42 0.00 0.02 0.00 0.00 176.35 175.68 1sn5 s ALA 108 N 3.05 3.58 -0.05 4.21 0.00 0.07 -1.41 121.76 131.20 1sn5 s ALA 108 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1sn5 s ALA 108 Cb -0.18 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.46 1sn5 s ALA 108 CO 0.13 0.20 0.01 -1.17 0.00 0.00 0.00 175.76 174.93 1sn5 s LEU 109 N -0.07 0.69 -0.22 0.00 2.96 -0.08 -0.88 118.68 121.07 1sn5 s LEU 109 Ca 0.24 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1sn5 s LEU 109 Cb -0.15 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 1sn5 s LEU 109 CO 0.11 -0.17 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.74 1sn5 s LEU 110 N 1.72 3.09 -0.11 -0.68 2.96 -0.09 -0.46 118.68 125.11 1sn5 s LEU 110 Ca 0.00 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1sn5 s LEU 110 Cb -0.13 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1sn5 s LEU 110 CO -0.04 -0.01 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.13 1sn5 s LEU 111 N 1.42 2.92 0.12 -0.68 1.43 0.08 -1.24 118.68 122.73 1sn5 s LEU 111 Ca 0.05 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1sn5 s LEU 111 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1sn5 s LEU 111 CO -0.00 0.24 -0.11 -0.44 0.23 0.00 0.00 176.35 176.27 1sn5 s SER 112 N -0.06 1.68 0.30 2.29 0.01 0.52 -0.26 113.70 118.18 1sn5 s SER 112 Ca -0.01 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.38 1sn5 s SER 112 Cb -0.14 -0.01 0.65 0.00 0.21 0.00 0.00 66.02 66.74 1sn5 s SER 112 CO 0.03 -0.28 1.83 -0.65 0.41 0.00 0.00 173.24 174.58 1sn5 h PRO 113 N 3.16 0.85 -0.22 12.44 0.11 -1.99 -2.79 132.00 143.57 1sn5 h PRO 113 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1sn5 h PRO 113 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1sn5 h PRO 113 CO 0.58 0.57 -0.01 1.19 -0.21 0.00 0.00 178.00 180.12 1sn5 n PHE 114 N -4.64 0.77 -3.58 0.65 3.01 -1.26 -0.80 117.46 111.60 1sn5 n PHE 114 Ca 0.20 -0.95 -0.14 0.00 1.01 0.00 0.00 57.45 57.57 1sn5 n PHE 114 Cb 0.43 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.16 -0.59 0.03 4.37 0.15 -1.05 -4.93 113.70 109.52 1sn5 s SER 115 Ca 0.40 0.88 -0.02 0.00 0.70 0.00 0.00 55.95 57.91 1sn5 s SER 115 Cb 0.33 0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 65.43 1sn5 s SER 115 CO 0.07 -0.37 0.02 -0.72 1.20 0.00 0.00 173.24 173.43 1sn5 s TYR 116 N -0.49 0.28 -0.11 3.44 -0.85 -1.26 -0.35 117.35 117.99 1sn5 s TYR 116 Ca -0.04 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 55.95 1sn5 s TYR 116 Cb -0.02 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.11 1sn5 s TYR 116 CO 0.03 -0.28 -0.22 0.99 -1.52 0.00 0.00 175.55 174.55 1sn5 s THR 117 N -2.20 2.16 -0.17 -3.49 2.01 -0.38 -4.97 115.64 108.61 1sn5 s THR 117 Ca -0.09 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 1sn5 s THR 117 Cb -0.04 -1.84 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 1sn5 s THR 117 CO -0.03 0.55 -0.13 0.28 -0.69 0.00 0.00 174.62 174.60 1sn5 s THR 118 N 0.46 2.81 0.13 -0.82 -1.32 -1.26 -0.91 115.64 114.73 1sn5 s THR 118 Ca -0.15 -0.71 0.05 0.00 -1.21 0.00 0.00 61.69 59.67 1sn5 s THR 118 Cb -0.17 -2.21 -0.04 0.00 -1.51 0.00 0.00 72.50 68.57 1sn5 s THR 118 CO 0.06 0.50 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.95 1sn5 s THR 119 N 1.01 1.29 -0.01 5.08 2.01 -0.06 -5.01 115.64 119.94 1sn5 s THR 119 Ca -0.01 -1.85 0.06 0.00 0.31 0.00 0.00 61.69 60.19 1sn5 s THR 119 Cb -0.15 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1sn5 s THR 119 CO -0.02 -0.54 -0.19 0.00 -0.69 0.00 0.00 174.62 173.18 1sn5 s ALA 120 N -2.58 1.56 -0.22 7.40 0.00 -1.26 -0.75 121.76 125.91 1sn5 s ALA 120 Ca 0.12 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1sn5 s ALA 120 Cb -0.02 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.75 1sn5 s ALA 120 CO 0.02 0.38 -0.14 0.08 0.00 0.00 0.00 175.76 176.11 1sn5 s VAL 121 N -0.45 2.05 -0.41 0.00 1.01 -0.53 -4.99 120.40 117.08 1sn5 s VAL 121 Ca 0.07 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 1sn5 s VAL 121 Cb -0.07 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.32 1sn5 s VAL 121 CO -0.01 0.19 0.24 -0.69 0.00 0.00 0.00 175.10 174.84 1sn5 s VAL 122 N 1.21 4.19 -2.87 2.92 1.01 -1.26 -1.24 120.40 124.35 1sn5 s VAL 122 Ca -0.03 -1.36 0.25 0.00 0.00 0.00 0.00 61.98 60.84 1sn5 s VAL 122 Cb -0.17 -3.54 0.28 0.00 0.00 0.00 0.00 36.38 32.95 1sn5 s VAL 122 CO -0.08 -0.47 1.38 -0.24 0.00 0.00 0.00 175.10 175.69