#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn2 h PRO 11 N 0.00 0.00 -3.30 0.00 0.13 -1.89 -3.43 132.00 123.51 1sn2 h PRO 11 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1sn2 h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1sn2 h PRO 11 CO 0.00 0.00 -0.76 -1.17 -0.23 0.00 0.00 178.00 175.84 1sn2 s LEU 12 N -6.03 0.68 0.25 1.56 2.96 -1.26 -0.83 118.68 116.02 1sn2 s LEU 12 Ca 0.04 -0.62 0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1sn2 s LEU 12 Cb 0.08 -0.39 -0.05 0.00 0.50 0.00 0.00 46.19 46.33 1sn2 s LEU 12 CO 0.58 -0.32 -0.21 -0.04 -1.32 0.00 0.00 176.35 175.04 1sn2 s MET 13 N 2.02 1.62 0.16 1.98 -1.94 0.83 -4.62 119.30 119.35 1sn2 s MET 13 Ca 0.01 -1.68 0.07 0.00 -1.71 0.00 0.00 55.69 52.38 1sn2 s MET 13 Cb -0.16 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1sn2 s MET 13 CO -0.08 0.35 -0.15 0.14 -0.01 0.00 0.00 175.02 175.27 1sn2 s VAL 14 N -2.20 1.59 -0.23 -6.03 -7.23 -1.26 -0.42 120.40 104.61 1sn2 s VAL 14 Ca 0.26 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1sn2 s VAL 14 Cb -0.06 -1.83 0.10 0.00 0.56 0.00 0.00 36.38 35.16 1sn2 s VAL 14 CO 0.13 -0.48 0.24 -0.75 -0.31 0.00 0.00 175.10 173.92 1sn2 s LYS 15 N -3.15 0.23 -0.14 4.82 2.47 -0.43 -4.32 119.74 119.21 1sn2 s LYS 15 Ca 0.16 0.10 -0.02 0.00 -1.56 0.00 0.00 55.97 54.65 1sn2 s LYS 15 Cb -0.03 -1.06 -0.02 0.00 -1.46 0.00 0.00 37.83 35.26 1sn2 s LYS 15 CO 0.05 -0.76 -0.08 0.42 0.16 0.00 0.00 175.35 175.15 1sn2 s ILE 16 N 2.33 3.54 0.05 5.43 1.01 -0.20 -0.96 121.20 132.40 1sn2 s ILE 16 Ca 0.08 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.33 1sn2 s ILE 16 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1sn2 s ILE 16 CO -0.18 0.51 -0.25 -0.76 0.00 0.00 0.00 174.94 174.26 1sn2 s LEU 17 N 0.32 2.17 -0.36 2.97 1.43 -0.16 -0.75 118.68 124.31 1sn2 s LEU 17 Ca -0.07 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1sn2 s LEU 17 Cb -0.15 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1sn2 s LEU 17 CO 0.04 0.24 0.24 -0.62 0.23 0.00 0.00 176.35 176.47 1sn2 s ASP 18 N -1.25 5.94 0.00 2.29 3.68 0.35 -0.48 116.67 127.20 1sn2 s ASP 18 Ca 0.11 -0.63 0.28 0.00 2.13 0.00 0.00 52.55 54.44 1sn2 s ASP 18 Cb -0.10 -2.11 1.33 0.00 -1.45 0.00 0.00 42.92 40.59 1sn2 s ASP 18 CO 0.02 -0.30 1.94 0.00 0.13 0.00 0.00 175.17 176.96 1sn2 n ALA 19 N 5.08 2.35 -0.04 3.66 0.00 0.28 -1.20 120.51 130.64 1sn2 n ALA 19 Ca -0.12 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1sn2 n ALA 19 Cb 0.48 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1sn2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn2 h VAL 20 N 0.00 1.08 0.00 0.00 2.07 -1.94 -3.40 116.25 114.06 1sn2 h VAL 20 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1sn2 h VAL 20 Cb 0.36 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1sn2 h VAL 20 CO 0.00 0.58 -1.17 0.29 0.02 0.00 0.00 177.57 177.30 1sn2 n LYS 21 N -4.14 0.57 -2.87 1.57 5.02 -1.21 -4.98 118.16 112.12 1sn2 n LYS 21 Ca -0.25 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 1sn2 n LYS 21 Cb 0.79 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1sn2 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sn2 n GLY 22 N 1.22 0.12 3.28 0.72 0.00 -0.34 -5.05 105.19 105.14 1sn2 n GLY 22 Ca -0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1sn2 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn2 s THR 23 N -3.02 0.48 0.72 2.61 -4.23 -1.18 -5.01 115.64 106.01 1sn2 s THR 23 Ca 0.23 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.61 1sn2 s THR 23 Cb -0.10 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1sn2 s THR 23 CO 0.29 -0.10 1.15 -2.84 -0.54 0.00 0.00 174.62 172.57 1sn2 s PRO 24 N -4.03 2.31 -0.56 3.99 0.02 -1.26 -0.50 135.00 134.97 1sn2 s PRO 24 Ca 0.35 1.51 -0.20 0.00 0.02 0.00 0.00 61.00 62.68 1sn2 s PRO 24 Cb 0.07 -1.88 0.07 0.00 0.02 0.00 0.00 34.50 32.78 1sn2 s PRO 24 CO 0.11 -1.65 0.75 0.00 -0.33 0.00 0.00 177.00 175.88 1sn2 s ALA 25 N -2.31 3.31 0.35 -1.55 0.00 0.07 -4.54 121.76 117.10 1sn2 s ALA 25 Ca 0.69 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1sn2 s ALA 25 Cb -0.23 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 1sn2 s ALA 25 CO 0.46 -2.27 0.72 0.20 0.00 0.00 0.00 175.76 174.87 1sn2 s GLY 26 N 3.09 2.09 -1.40 0.00 0.00 -1.26 -4.27 107.32 105.57 1sn2 s GLY 26 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 1sn2 s GLY 26 CO 0.12 0.02 0.47 1.44 0.00 0.00 0.00 173.10 175.15 1sn2 n SER 27 N -0.88 -5.58 -4.64 1.64 7.64 -0.00 -4.95 113.62 106.85 1sn2 n SER 27 Ca 0.02 -0.22 -0.40 0.00 1.01 0.00 0.00 58.87 59.28 1sn2 n SER 27 Cb 0.54 -4.44 -0.06 0.00 -1.01 0.00 0.00 64.21 59.23 1sn2 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn2 s VAL 28 N -3.08 5.00 0.28 0.44 1.01 -1.26 -4.78 120.40 118.01 1sn2 s VAL 28 Ca 0.23 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 63.09 1sn2 s VAL 28 Cb -0.10 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1sn2 s VAL 28 CO 0.29 0.07 0.97 0.00 0.00 0.00 0.00 175.10 176.43 1sn2 s ALA 29 N 2.18 3.29 0.10 5.51 0.00 -1.26 -1.03 121.76 130.54 1sn2 s ALA 29 Ca 0.28 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 1sn2 s ALA 29 Cb -0.16 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 1sn2 s ALA 29 CO 0.09 0.13 0.19 -0.48 0.00 0.00 0.00 175.76 175.70 1sn2 s LEU 30 N -1.60 1.40 0.02 0.00 0.05 -0.04 -0.41 118.68 118.10 1sn2 s LEU 30 Ca 0.46 -0.70 0.01 0.00 0.05 0.00 0.00 54.13 53.95 1sn2 s LEU 30 Cb -0.24 1.02 -0.01 0.00 -2.05 0.00 0.00 46.19 44.91 1sn2 s LEU 30 CO 0.30 -0.75 -0.04 -1.59 -0.55 0.00 0.00 176.35 173.73 1sn2 s LYS 31 N -3.88 0.30 -0.13 1.48 -2.85 -0.25 -1.53 119.74 112.89 1sn2 s LYS 31 Ca 0.07 -0.45 0.01 0.00 -1.00 0.00 0.00 55.97 54.60 1sn2 s LYS 31 Cb 0.05 -0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.74 1sn2 s LYS 31 CO -0.09 0.01 -0.17 0.08 0.10 0.00 0.00 175.35 175.27 1sn2 s VAL 32 N -0.93 2.66 0.14 1.79 1.01 0.15 -0.93 120.40 124.29 1sn2 s VAL 32 Ca -0.09 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1sn2 s VAL 32 Cb -0.07 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1sn2 s VAL 32 CO -0.00 0.53 -0.16 -0.44 0.00 0.00 0.00 175.10 175.03 1sn2 s SER 33 N 0.45 2.32 -0.04 3.32 0.01 0.01 -0.63 113.70 119.14 1sn2 s SER 33 Ca -0.12 -0.81 0.06 0.00 1.31 0.00 0.00 55.95 56.39 1sn2 s SER 33 Cb -0.16 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1sn2 s SER 33 CO 0.05 -0.08 -0.21 -1.58 0.41 0.00 0.00 173.24 171.83 1sn2 s GLN 34 N -2.61 2.36 0.05 12.44 0.74 0.58 -1.10 119.66 132.13 1sn2 s GLN 34 Ca 0.11 -0.84 -0.31 0.00 0.05 0.00 0.00 55.36 54.38 1sn2 s GLN 34 Cb -0.06 -2.20 -0.06 0.00 1.10 0.00 0.00 33.01 31.80 1sn2 s GLN 34 CO 0.05 0.54 1.21 0.21 -0.55 0.00 0.00 175.29 176.75 1sn2 s LYS 35 N -0.55 4.42 0.68 1.67 2.20 -0.17 -0.61 119.74 127.38 1sn2 s LYS 35 Ca 0.08 1.78 -0.04 0.00 -0.36 0.00 0.00 55.97 57.43 1sn2 s LYS 35 Cb -0.11 -3.36 0.08 0.00 -1.51 0.00 0.00 37.83 32.92 1sn2 s LYS 35 CO 0.00 -0.29 0.97 0.95 -0.36 0.00 0.00 175.35 176.62 1sn2 s THR 36 N 1.18 2.33 0.30 3.43 -4.23 0.13 -4.73 115.64 114.05 1sn2 s THR 36 Ca 0.59 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1sn2 s THR 36 Cb -0.29 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 70.93 1sn2 s THR 36 CO 0.29 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.23 1sn2 h ALA 37 N -0.47 1.55 0.00 3.99 0.00 -1.96 -1.60 119.26 120.77 1sn2 h ALA 37 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sn2 h ALA 37 Cb 1.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sn2 h ALA 37 CO 0.52 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1sn2 n ASP 38 N -4.56 0.00 0.00 0.00 5.68 -1.26 -4.88 116.55 111.53 1sn2 n ASP 38 Ca 0.17 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 1sn2 n ASP 38 Cb 0.31 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1sn2 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sn2 n GLY 39 N 0.96 0.34 2.14 6.12 0.00 -0.60 -5.08 105.19 109.07 1sn2 n GLY 39 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1sn2 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn2 n GLY 40 N -1.85 -0.34 3.29 -0.02 0.00 -1.26 -4.75 105.19 100.26 1sn2 n GLY 40 Ca 0.00 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1sn2 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn2 s TRP 41 N -2.12 2.31 -0.09 1.61 0.52 -1.26 0.19 118.94 120.10 1sn2 s TRP 41 Ca 0.39 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1sn2 s TRP 41 Cb -0.02 -1.49 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 1sn2 s TRP 41 CO 0.27 -0.08 -0.22 -0.08 0.02 0.00 0.00 176.95 176.86 1sn2 s THR 42 N -0.48 1.87 -0.02 2.01 -1.32 0.22 -4.92 115.64 113.00 1sn2 s THR 42 Ca 0.06 -0.92 -0.30 0.00 -1.21 0.00 0.00 61.69 59.33 1sn2 s THR 42 Cb -0.11 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 1sn2 s THR 42 CO 0.00 0.52 1.14 -1.58 -2.21 0.00 0.00 174.62 172.49 1sn2 s GLN 43 N 0.35 4.42 -0.01 7.08 0.74 -1.26 -0.31 119.66 130.68 1sn2 s GLN 43 Ca -0.17 1.63 0.07 0.00 0.05 0.00 0.00 55.36 56.94 1sn2 s GLN 43 Cb -0.17 -3.48 -0.10 0.00 1.10 0.00 0.00 33.01 30.36 1sn2 s GLN 43 CO 0.07 -0.31 0.19 0.44 -0.55 0.00 0.00 175.29 175.13 1sn2 n ILE 44 N 4.29 0.00 -3.51 -2.34 -5.35 0.20 -4.94 119.36 107.71 1sn2 n ILE 44 Ca 0.09 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.21 1sn2 n ILE 44 Cb 0.47 0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 38.87 1sn2 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn2 s ALA 45 N -2.22 -1.77 0.14 -1.28 0.00 -1.09 -5.00 121.76 110.55 1sn2 s ALA 45 Ca -0.01 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1sn2 s ALA 45 Cb 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1sn2 s ALA 45 CO 0.28 -0.45 -0.11 0.95 0.00 0.00 0.00 175.76 176.44 1sn2 s THR 46 N -1.73 1.19 0.13 0.00 -4.23 -1.26 -0.67 115.64 109.07 1sn2 s THR 46 Ca -0.07 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.21 1sn2 s THR 46 Cb -0.00 -1.77 0.08 0.00 1.34 0.00 0.00 72.50 72.14 1sn2 s THR 46 CO 0.04 -0.69 1.08 -0.83 -0.54 0.00 0.00 174.62 173.68 1sn2 s GLY 47 N -3.03 -0.06 -0.04 3.99 0.00 -0.58 -5.00 107.32 102.60 1sn2 s GLY 47 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.80 1sn2 s GLY 47 CO 0.01 1.87 0.07 0.14 0.00 0.00 0.00 173.10 175.20 1sn2 s VAL 48 N -2.46 -0.05 0.50 1.40 1.01 -1.26 -0.86 120.40 118.68 1sn2 s VAL 48 Ca 0.19 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 1sn2 s VAL 48 Cb -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 1sn2 s VAL 48 CO 0.03 0.07 1.29 0.42 0.00 0.00 0.00 175.10 176.91 1sn2 s THR 49 N 1.01 2.49 0.21 3.92 -4.23 -0.20 -4.80 115.64 114.03 1sn2 s THR 49 Ca -0.08 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1sn2 s THR 49 Cb -0.11 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.58 1sn2 s THR 49 CO -0.04 0.00 0.28 -0.90 -0.54 0.00 0.00 174.62 173.43 1sn2 n ASP 50 N -0.69 0.06 0.22 3.99 5.68 0.13 -0.82 116.55 125.11 1sn2 n ASP 50 Ca 0.08 -1.12 0.15 0.00 -0.50 0.00 0.00 54.79 53.40 1sn2 n ASP 50 Cb 0.46 -0.21 0.66 0.00 -1.14 0.00 0.00 41.12 40.88 1sn2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn2 h ALA 51 N -1.77 1.00 -0.05 2.12 0.00 -1.91 -1.72 119.26 116.93 1sn2 h ALA 51 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sn2 h ALA 51 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sn2 h ALA 51 CO 0.07 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.57 1sn2 n THR 52 N -2.72 0.06 -1.27 0.00 -2.24 -1.26 -4.57 114.28 102.28 1sn2 n THR 52 Ca 0.01 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1sn2 n THR 52 Cb 0.24 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1sn2 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn2 n GLY 53 N 1.12 0.44 3.47 3.38 0.00 -0.64 -4.72 105.19 108.23 1sn2 n GLY 53 Ca 0.19 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1sn2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn2 s GLU 54 N -2.56 1.64 -0.12 1.61 2.02 -1.26 -1.03 118.70 119.00 1sn2 s GLU 54 Ca 0.00 -1.85 -0.01 0.00 0.02 0.00 0.00 54.97 53.13 1sn2 s GLU 54 Cb 0.00 -1.30 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1sn2 s GLU 54 CO 0.00 0.05 -0.03 0.42 0.02 0.00 0.00 175.26 175.72 1sn2 s ILE 55 N -2.91 0.72 0.15 -1.63 1.01 -1.26 -0.69 121.20 116.58 1sn2 s ILE 55 Ca 0.31 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 1sn2 s ILE 55 Cb 0.04 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.53 1sn2 s ILE 55 CO 0.14 0.19 0.61 -1.00 0.00 0.00 0.00 174.94 174.88 1sn2 s HIS 56 N 1.81 3.69 -1.38 3.97 3.76 -1.26 -4.31 115.29 121.57 1sn2 s HIS 56 Ca 0.03 1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 56.11 1sn2 s HIS 56 Cb -0.14 -2.49 0.03 0.00 1.11 0.00 0.00 32.58 31.10 1sn2 s HIS 56 CO -0.07 0.45 0.94 0.09 -0.85 0.00 0.00 174.74 175.30 1sn2 n ASN 57 N 1.07 -3.59 0.20 1.40 3.02 -1.26 -4.92 115.26 111.17 1sn2 n ASN 57 Ca -0.06 -0.72 -0.15 0.00 -0.03 0.00 0.00 54.58 53.62 1sn2 n ASN 57 Cb 0.51 -4.36 -0.08 0.00 -0.61 0.00 0.00 39.78 35.24 1sn2 n ASN 57 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sn2 h LEU 58 N -2.13 -0.37 -8.32 3.41 5.85 -1.82 -3.45 115.31 108.48 1sn2 h LEU 58 Ca -0.59 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 57.96 1sn2 h LEU 58 Cb 1.36 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 42.35 1sn2 h LEU 58 CO 0.59 -0.24 -0.54 0.27 -0.34 0.00 0.00 178.44 178.18 1sn2 s ILE 59 N -6.01 0.09 0.47 4.05 -4.36 -1.26 -4.86 121.20 109.32 1sn2 s ILE 59 Ca -0.15 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.57 1sn2 s ILE 59 Cb 0.05 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1sn2 s ILE 59 CO 0.64 -0.40 0.56 0.42 0.24 0.00 0.00 174.94 176.40 1sn2 s THR 60 N -4.03 2.58 0.18 8.37 -4.23 -1.26 -4.47 115.64 112.78 1sn2 s THR 60 Ca 0.22 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.47 1sn2 s THR 60 Cb 0.06 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1sn2 s THR 60 CO 0.02 0.00 1.79 -0.33 -0.54 0.00 0.00 174.62 175.56 1sn2 h GLU 61 N 0.64 0.52 -0.92 3.99 5.08 -1.99 -2.63 114.58 119.26 1sn2 h GLU 61 Ca -0.38 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1sn2 h GLU 61 Cb 1.28 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1sn2 h GLU 61 CO 0.48 0.34 0.60 1.96 -1.00 0.00 0.00 179.01 181.39 1sn2 h GLN 62 N 0.53 1.05 0.00 2.33 1.08 -2.03 -1.36 115.11 116.71 1sn2 h GLN 62 Ca 0.23 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1sn2 h GLN 62 Cb 0.12 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1sn2 h GLN 62 CO -0.15 0.69 0.00 1.04 -0.95 0.00 0.00 178.83 179.46 1sn2 n GLN 63 N -4.48 0.78 -3.02 1.46 6.02 -1.00 -4.23 117.38 112.91 1sn2 n GLN 63 Ca 0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.91 1sn2 n GLN 63 Cb 0.17 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1sn2 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sn2 n PHE 64 N -0.94 2.09 -1.60 1.08 7.35 -0.51 -4.92 117.46 120.01 1sn2 n PHE 64 Ca 0.16 -3.81 -0.29 0.00 -0.76 0.00 0.00 57.45 52.75 1sn2 n PHE 64 Cb 0.08 -0.43 0.11 0.00 0.35 0.00 0.00 39.48 39.59 1sn2 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn2 s PRO 65 N -2.98 1.60 0.32 -7.13 0.04 -1.26 -4.73 135.00 120.86 1sn2 s PRO 65 Ca 0.44 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 1sn2 s PRO 65 Cb 0.33 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.85 1sn2 s PRO 65 CO -0.11 -1.90 1.08 0.00 0.04 0.00 0.00 177.00 176.12 1sn2 n ALA 66 N -3.58 0.23 0.00 8.56 0.00 -1.26 -4.88 120.51 119.58 1sn2 n ALA 66 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1sn2 n ALA 66 Cb 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1sn2 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn2 n GLY 67 N 1.09 -2.38 3.74 0.00 0.00 -1.12 -4.98 105.19 101.55 1sn2 n GLY 67 Ca 0.08 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 1sn2 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn2 s VAL 68 N -2.04 5.32 0.17 1.61 1.01 -1.26 0.54 120.40 125.76 1sn2 s VAL 68 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1sn2 s VAL 68 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1sn2 s VAL 68 CO 0.00 0.42 -0.17 -0.31 0.00 0.00 0.00 175.10 175.03 1sn2 s TYR 69 N 0.31 1.79 -0.07 5.22 1.51 0.22 -1.00 117.35 125.33 1sn2 s TYR 69 Ca 0.15 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1sn2 s TYR 69 Cb -0.13 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1sn2 s TYR 69 CO 0.03 0.33 -0.07 0.50 -1.11 0.00 0.00 175.55 175.24 1sn2 s ARG 70 N -2.94 1.20 -0.20 -0.62 3.00 -0.25 -1.11 118.95 118.03 1sn2 s ARG 70 Ca 0.17 -0.20 -0.02 0.00 -1.00 0.00 0.00 55.73 54.68 1sn2 s ARG 70 Cb -0.05 -1.18 -0.00 0.00 0.00 0.00 0.00 34.95 33.72 1sn2 s ARG 70 CO 0.07 -0.12 -0.09 0.08 0.00 0.00 0.00 175.30 175.24 1sn2 s VAL 71 N 1.15 3.03 -0.19 7.11 1.01 0.54 -0.81 120.40 132.25 1sn2 s VAL 71 Ca -0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1sn2 s VAL 71 Cb -0.14 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1sn2 s VAL 71 CO -0.01 0.47 -0.07 -0.70 0.00 0.00 0.00 175.10 174.79 1sn2 s GLU 72 N 1.24 3.43 -0.14 2.72 2.12 -0.10 -0.84 118.70 127.12 1sn2 s GLU 72 Ca 0.03 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 1sn2 s GLU 72 Cb -0.14 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1sn2 s GLU 72 CO -0.04 -0.01 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.55 1sn2 s PHE 73 N 0.99 2.98 -1.40 5.30 0.40 -0.04 -1.09 117.98 125.12 1sn2 s PHE 73 Ca -0.00 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 1sn2 s PHE 73 Cb -0.15 -1.92 0.08 0.00 0.51 0.00 0.00 43.02 41.55 1sn2 s PHE 73 CO 0.00 -0.04 2.12 -3.47 0.70 0.00 0.00 175.22 174.53 1sn2 n ASP 74 N 3.44 4.29 0.18 1.36 -0.08 0.45 -1.58 116.55 124.61 1sn2 n ASP 74 Ca -0.18 -2.93 0.04 0.00 -1.51 0.00 0.00 54.79 50.21 1sn2 n ASP 74 Cb 0.53 -1.60 0.33 0.00 2.34 0.00 0.00 41.12 42.72 1sn2 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn2 h THR 75 N 3.91 1.07 -0.44 5.18 1.35 -1.85 -2.81 112.91 119.31 1sn2 h THR 75 Ca 0.51 -1.54 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 1sn2 h THR 75 Cb 0.63 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1sn2 h THR 75 CO 1.80 0.40 0.06 0.50 -0.25 0.00 0.00 175.52 178.04 1sn2 h LYS 76 N 0.00 0.73 -0.58 4.72 3.64 -1.74 -1.71 116.57 121.63 1sn2 h LYS 76 Ca -0.00 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 1sn2 h LYS 76 Cb 0.85 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1sn2 h LYS 76 CO 0.05 0.76 0.03 0.00 -2.27 0.00 0.00 179.45 178.03 1sn2 h ALA 77 N 0.94 0.78 -0.02 5.00 0.00 -1.87 -1.01 119.26 123.07 1sn2 h ALA 77 Ca 0.13 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1sn2 h ALA 77 Cb 0.39 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1sn2 h ALA 77 CO 0.01 0.58 -0.31 -0.92 0.00 0.00 0.00 179.25 178.61 1sn2 h TYR 78 N 0.89 -0.85 -0.28 0.00 3.20 -1.22 0.06 116.97 118.77 1sn2 h TYR 78 Ca 0.17 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1sn2 h TYR 78 Cb 0.51 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1sn2 h TYR 78 CO 0.04 -0.40 -0.28 -1.49 -1.64 0.00 0.00 178.16 174.38 1sn2 h TRP 79 N -0.45 0.65 -0.57 -3.82 4.06 -1.21 -1.94 115.95 112.67 1sn2 h TRP 79 Ca 0.07 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1sn2 h TRP 79 Cb 0.55 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.52 1sn2 h TRP 79 CO -0.35 0.80 0.36 1.15 -3.56 0.00 0.00 178.44 176.84 1sn2 h THR 80 N 0.49 1.16 0.00 1.49 2.02 -0.91 -0.62 112.91 116.54 1sn2 h THR 80 Ca 0.06 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1sn2 h THR 80 Cb 0.75 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1sn2 h THR 80 CO 0.06 0.16 -0.16 -1.13 0.37 0.00 0.00 175.52 174.82 1sn2 h ASN 81 N 0.77 0.00 0.43 4.18 -0.73 -0.58 -2.04 115.58 117.61 1sn2 h ASN 81 Ca 0.21 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1sn2 h ASN 81 Cb -0.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.53 1sn2 h ASN 81 CO -0.04 0.16 -0.11 0.00 -0.37 0.00 0.00 177.43 177.07 1sn2 n GLN 82 N -3.69 0.59 -0.88 6.67 1.13 -0.77 -4.92 117.38 115.51 1sn2 n GLN 82 Ca -0.02 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1sn2 n GLN 82 Cb 0.28 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1sn2 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sn2 n GLY 83 N 1.30 0.47 3.97 1.08 0.00 -0.77 -5.06 105.19 106.19 1sn2 n GLY 83 Ca 0.14 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1sn2 n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sn2 n SER 84 N 1.46 2.20 -4.11 1.61 7.64 -0.31 -5.02 113.62 117.08 1sn2 n SER 84 Ca 0.00 -2.59 -0.33 0.00 1.01 0.00 0.00 58.87 56.95 1sn2 n SER 84 Cb 0.00 -0.40 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 1sn2 n SER 84 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sn2 s THR 85 N -2.67 2.58 0.34 0.44 2.01 -1.26 -4.37 115.64 112.71 1sn2 s THR 85 Ca 0.60 -1.67 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 1sn2 s THR 85 Cb -0.05 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 1sn2 s THR 85 CO 0.38 -0.19 0.64 -2.16 -0.69 0.00 0.00 174.62 172.60 1sn2 s PRO 86 N 1.13 3.69 -0.16 4.92 0.04 -1.26 -4.68 135.00 138.68 1sn2 s PRO 86 Ca -0.04 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.05 1sn2 s PRO 86 Cb -0.20 -2.54 -0.12 0.00 0.04 0.00 0.00 34.50 31.68 1sn2 s PRO 86 CO -0.04 0.11 0.11 0.35 0.04 0.00 0.00 177.00 177.58 1sn2 h PHE 87 N 1.52 0.00 -3.93 0.56 3.57 -1.29 -3.48 116.94 113.89 1sn2 h PHE 87 Ca -0.47 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.54 1sn2 h PHE 87 Cb 1.19 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.94 1sn2 h PHE 87 CO 0.59 0.71 0.42 -1.01 -2.23 0.00 0.00 178.31 176.79 1sn2 s HIS 88 N -2.20 3.35 0.17 0.41 3.76 -1.26 -4.94 115.29 114.58 1sn2 s HIS 88 Ca -0.19 1.66 0.01 0.00 -0.15 0.00 0.00 55.06 56.39 1sn2 s HIS 88 Cb 0.03 -3.15 0.03 0.00 1.11 0.00 0.00 32.58 30.60 1sn2 s HIS 88 CO 0.39 -0.57 1.40 0.93 -0.85 0.00 0.00 174.74 176.05 1sn2 h GLU 89 N 2.78 0.28 -2.83 1.40 4.39 -1.98 -3.37 114.58 115.25 1sn2 h GLU 89 Ca -0.48 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1sn2 h GLU 89 Cb 1.21 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.80 1sn2 h GLU 89 CO 0.63 0.96 0.26 0.54 -1.16 0.00 0.00 179.01 180.24 1sn2 s VAL 90 N -3.38 0.00 -0.20 3.13 0.11 -1.26 -4.14 120.40 114.65 1sn2 s VAL 90 Ca -0.04 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1sn2 s VAL 90 Cb 0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1sn2 s VAL 90 CO 0.83 0.00 0.03 0.00 -3.33 0.00 0.00 175.10 172.63 1sn2 s ALA 91 N -3.53 3.14 -0.08 1.54 0.00 -0.62 -4.93 121.76 117.28 1sn2 s ALA 91 Ca 0.01 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1sn2 s ALA 91 Cb -0.01 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 1sn2 s ALA 91 CO -0.11 -0.12 -0.21 -1.21 0.00 0.00 0.00 175.76 174.11 1sn2 s GLU 92 N 0.94 2.87 -0.22 0.00 2.02 -1.26 -0.86 118.70 122.19 1sn2 s GLU 92 Ca 0.02 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1sn2 s GLU 92 Cb -0.14 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 31.80 1sn2 s GLU 92 CO 0.02 0.32 -0.07 0.08 0.02 0.00 0.00 175.26 175.63 1sn2 s VAL 93 N 0.01 1.58 -0.16 2.63 1.01 -0.02 -4.98 120.40 120.47 1sn2 s VAL 93 Ca -0.07 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1sn2 s VAL 93 Cb -0.15 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1sn2 s VAL 93 CO 0.05 0.01 -0.20 -0.69 0.00 0.00 0.00 175.10 174.28 1sn2 s VAL 94 N 1.39 2.17 0.04 2.92 1.01 -1.26 -0.34 120.40 126.33 1sn2 s VAL 94 Ca -0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1sn2 s VAL 94 Cb -0.18 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1sn2 s VAL 94 CO -0.07 0.54 0.31 0.72 0.00 0.00 0.00 175.10 176.60 1sn2 s PHE 95 N 1.04 -0.12 -0.22 5.22 -0.12 -0.27 -5.00 117.98 118.52 1sn2 s PHE 95 Ca -0.01 0.01 -0.23 0.00 -0.05 0.00 0.00 56.93 56.65 1sn2 s PHE 95 Cb -0.14 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 1sn2 s PHE 95 CO -0.07 -0.49 0.74 0.34 -0.05 0.00 0.00 175.22 175.70 1sn2 s ASP 96 N -1.97 6.78 -0.03 1.98 3.68 -1.26 -0.61 116.67 125.23 1sn2 s ASP 96 Ca -0.06 0.95 -0.19 0.00 2.13 0.00 0.00 52.55 55.39 1sn2 s ASP 96 Cb -0.01 -2.40 -0.05 0.00 -1.45 0.00 0.00 42.92 39.00 1sn2 s ASP 96 CO -0.02 -0.41 0.52 0.00 0.13 0.00 0.00 175.17 175.39 1sn2 s ALA 97 N 2.41 3.53 -0.57 3.66 0.00 0.19 -4.94 121.76 126.03 1sn2 s ALA 97 Ca 0.32 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1sn2 s ALA 97 Cb -0.16 -2.64 0.15 0.00 0.00 0.00 0.00 23.12 20.48 1sn2 s ALA 97 CO 0.09 0.19 0.37 -1.01 0.00 0.00 0.00 175.76 175.40 1sn2 s HIS 98 N -0.16 2.92 -1.26 0.00 0.09 -1.26 -2.78 115.29 112.84 1sn2 s HIS 98 Ca 0.28 -3.03 0.27 0.00 -0.00 0.00 0.00 55.06 52.59 1sn2 s HIS 98 Cb -0.17 -2.41 1.31 0.00 -0.00 0.00 0.00 32.58 31.31 1sn2 s HIS 98 CO 0.14 -0.67 1.92 -0.35 -0.00 0.00 0.00 174.74 175.78 1sn2 n PRO 99 N 2.66 0.24 -1.79 8.40 -0.05 -1.26 -4.65 135.00 138.55 1sn2 n PRO 99 Ca 0.15 0.03 -0.35 0.00 -0.05 0.00 0.00 63.50 63.27 1sn2 n PRO 99 Cb 0.35 -1.50 0.05 0.00 -0.05 0.00 0.00 33.50 32.36 1sn2 n PRO 99 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 175.50 173.62 1sn2 s GLU 100 N -2.74 2.68 -0.59 0.54 1.03 -1.26 -2.19 118.70 116.17 1sn2 s GLU 100 Ca 0.21 1.74 -0.02 0.00 0.03 0.00 0.00 54.97 56.93 1sn2 s GLU 100 Cb 0.18 -1.90 0.00 0.00 -0.80 0.00 0.00 34.13 31.61 1sn2 s GLU 100 CO 0.45 -1.42 0.31 0.41 -1.33 0.00 0.00 175.26 173.69 1sn2 n GLY 101 N 0.32 0.26 4.29 -3.83 0.00 -1.26 -3.43 105.19 101.53 1sn2 n GLY 101 Ca 0.13 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1sn2 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sn2 n HIS 102 N -3.66 -1.46 -2.98 1.61 1.44 -1.19 -4.91 115.22 104.07 1sn2 n HIS 102 Ca -0.03 0.72 -0.41 0.00 -2.01 0.00 0.00 57.72 55.99 1sn2 n HIS 102 Cb 0.54 -2.76 -0.05 0.00 0.12 0.00 0.00 29.99 27.84 1sn2 n HIS 102 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1sn2 s ARG 103 N -7.05 4.31 0.11 -1.40 3.52 -0.93 -5.05 118.95 112.46 1sn2 s ARG 103 Ca 0.48 0.89 0.07 0.00 -0.13 0.00 0.00 55.73 57.04 1sn2 s ARG 103 Cb -0.27 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1sn2 s ARG 103 CO 0.96 -0.22 -0.09 -1.01 -0.81 0.00 0.00 175.30 174.14 1sn2 s HIS 104 N 1.78 2.75 -0.12 5.12 3.76 -1.26 -4.55 115.29 122.77 1sn2 s HIS 104 Ca 0.36 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1sn2 s HIS 104 Cb -0.17 -1.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.08 1sn2 s HIS 104 CO 0.13 0.44 -0.13 0.71 -0.85 0.00 0.00 174.74 175.05 1sn2 s TYR 105 N -1.30 2.80 -0.15 1.40 1.51 -0.01 -4.31 117.35 117.30 1sn2 s TYR 105 Ca 0.22 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1sn2 s TYR 105 Cb -0.11 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1sn2 s TYR 105 CO 0.14 -0.12 -0.19 0.99 -1.11 0.00 0.00 175.55 175.26 1sn2 s THR 106 N 0.14 2.35 -0.46 -0.71 2.01 -0.14 -0.12 115.64 118.72 1sn2 s THR 106 Ca -0.06 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1sn2 s THR 106 Cb -0.15 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.45 1sn2 s THR 106 CO 0.05 0.53 0.39 -0.76 -0.69 0.00 0.00 174.62 174.14 1sn2 s LEU 107 N 0.85 5.44 -0.00 4.42 1.02 0.43 -0.63 118.68 130.21 1sn2 s LEU 107 Ca -0.05 -1.18 -0.17 0.00 0.02 0.00 0.00 54.13 52.75 1sn2 s LEU 107 Cb -0.15 -2.20 -0.06 0.00 0.02 0.00 0.00 46.19 43.80 1sn2 s LEU 107 CO -0.02 -0.61 0.48 0.00 0.02 0.00 0.00 176.35 176.22 1sn2 s ALA 108 N 1.73 3.61 -0.04 4.21 0.00 0.04 -1.31 121.76 129.99 1sn2 s ALA 108 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1sn2 s ALA 108 Cb -0.22 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1sn2 s ALA 108 CO 0.08 0.35 0.01 -1.17 0.00 0.00 0.00 175.76 175.03 1sn2 s LEU 109 N -0.72 0.77 -0.27 0.00 2.96 -0.14 -1.27 118.68 120.02 1sn2 s LEU 109 Ca 0.26 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1sn2 s LEU 109 Cb -0.17 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.26 1sn2 s LEU 109 CO 0.15 -0.16 0.01 -0.22 -1.32 0.00 0.00 176.35 174.81 1sn2 s LEU 110 N 1.56 3.49 -0.15 -0.68 2.96 -0.17 -0.99 118.68 124.70 1sn2 s LEU 110 Ca -0.02 -0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 53.11 1sn2 s LEU 110 Cb -0.13 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1sn2 s LEU 110 CO -0.03 -0.15 0.04 -0.76 -1.32 0.00 0.00 176.35 174.13 1sn2 s LEU 111 N 1.43 3.71 0.11 -0.68 1.43 0.36 -1.60 118.68 123.44 1sn2 s LEU 111 Ca 0.02 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1sn2 s LEU 111 Cb -0.17 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1sn2 s LEU 111 CO -0.01 0.25 -0.12 -0.44 0.23 0.00 0.00 176.35 176.26 1sn2 s SER 112 N -0.08 1.70 0.33 2.29 0.01 0.54 -0.56 113.70 117.94 1sn2 s SER 112 Ca 0.05 -0.80 0.09 0.00 1.31 0.00 0.00 55.95 56.61 1sn2 s SER 112 Cb -0.12 -0.03 0.85 0.00 0.21 0.00 0.00 66.02 66.93 1sn2 s SER 112 CO 0.01 -0.20 1.77 -0.65 0.41 0.00 0.00 173.24 174.59 1sn2 h PRO 113 N 3.59 0.63 -0.21 12.44 0.11 -1.99 -2.47 132.00 144.10 1sn2 h PRO 113 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1sn2 h PRO 113 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sn2 h PRO 113 CO 0.51 0.42 0.00 1.19 -0.21 0.00 0.00 178.00 179.91 1sn2 n PHE 114 N -4.75 0.70 -3.58 0.65 3.01 -1.26 -0.75 117.46 111.48 1sn2 n PHE 114 Ca 0.24 -0.85 -0.15 0.00 1.01 0.00 0.00 57.45 57.70 1sn2 n PHE 114 Cb 0.66 -0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 1sn2 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn2 s SER 115 N -1.99 -0.65 0.02 4.37 0.15 -0.93 -4.93 113.70 109.74 1sn2 s SER 115 Ca 0.37 1.01 -0.04 0.00 0.70 0.00 0.00 55.95 57.99 1sn2 s SER 115 Cb 0.30 0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 1sn2 s SER 115 CO 0.08 -0.40 0.07 -0.72 1.20 0.00 0.00 173.24 173.47 1sn2 s TYR 116 N -0.41 0.17 -0.16 3.44 -0.85 -1.26 -0.34 117.35 117.95 1sn2 s TYR 116 Ca -0.04 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.12 1sn2 s TYR 116 Cb -0.03 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.19 1sn2 s TYR 116 CO 0.04 -0.28 -0.18 0.99 -1.52 0.00 0.00 175.55 174.59 1sn2 s THR 117 N -1.87 2.32 -0.22 -3.49 2.01 -0.63 -4.96 115.64 108.79 1sn2 s THR 117 Ca -0.11 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 1sn2 s THR 117 Cb -0.06 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1sn2 s THR 117 CO -0.01 0.53 0.00 0.28 -0.69 0.00 0.00 174.62 174.73 1sn2 s THR 118 N 0.98 3.79 0.12 -0.82 -1.32 -1.26 -1.00 115.64 116.13 1sn2 s THR 118 Ca -0.03 -0.35 0.07 0.00 -1.21 0.00 0.00 61.69 60.17 1sn2 s THR 118 Cb -0.15 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1sn2 s THR 118 CO -0.04 0.40 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.71 1sn2 s THR 119 N 1.41 1.49 -0.03 5.08 2.01 -0.40 -5.01 115.64 120.19 1sn2 s THR 119 Ca 0.05 -1.68 0.07 0.00 0.31 0.00 0.00 61.69 60.44 1sn2 s THR 119 Cb -0.15 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1sn2 s THR 119 CO 0.00 -0.30 -0.24 0.00 -0.69 0.00 0.00 174.62 173.39 1sn2 s ALA 120 N -1.82 1.99 -0.17 7.40 0.00 -1.26 -0.78 121.76 127.12 1sn2 s ALA 120 Ca 0.09 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1sn2 s ALA 120 Cb -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1sn2 s ALA 120 CO 0.04 0.46 -0.15 0.08 0.00 0.00 0.00 175.76 176.19 1sn2 s VAL 121 N -0.44 2.64 -0.80 0.00 1.01 0.20 -4.98 120.40 118.04 1sn2 s VAL 121 Ca 0.06 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1sn2 s VAL 121 Cb -0.10 -2.13 0.17 0.00 0.00 0.00 0.00 36.38 34.31 1sn2 s VAL 121 CO 0.00 0.51 1.03 1.33 0.00 0.00 0.00 175.10 177.97 1sn2 n VAL 122 N 4.30 0.64 -3.71 2.92 0.24 -1.26 -0.96 118.33 120.50 1sn2 n VAL 122 Ca -0.19 -0.82 -0.14 0.00 -2.04 0.00 0.00 64.34 61.15 1sn2 n VAL 122 Cb 0.51 0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 33.53 1sn2 n VAL 122 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1sn2 s SER 123 N -0.88 -0.40 0.22 -1.34 0.15 -1.26 -4.34 113.70 105.84 1sn2 s SER 123 Ca 0.14 0.63 0.24 0.00 0.70 0.00 0.00 55.95 57.66 1sn2 s SER 123 Cb 0.08 0.68 0.91 0.00 -1.71 0.00 0.00 66.02 65.99 1sn2 s SER 123 CO 0.11 -0.29 1.73 -1.54 1.20 0.00 0.00 173.24 174.44 1sn2 n SER 124 N 2.15 0.65 -4.21 5.45 3.41 -1.26 -4.84 113.62 114.97 1sn2 n SER 124 Ca -0.16 0.62 -0.17 0.00 -0.26 0.00 0.00 58.87 58.90 1sn2 n SER 124 Cb 0.57 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1sn2 n SER 124 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1sn2 s VAL 125 N -3.21 1.16 0.64 -3.33 -7.23 -1.26 -5.15 120.40 102.01 1sn2 s VAL 125 Ca 0.07 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 1sn2 s VAL 125 Cb 0.11 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 1sn2 s VAL 125 CO 0.46 -0.43 1.04 -2.28 -0.31 0.00 0.00 175.10 173.58 1sn2 s HIS 126 N -2.09 3.26 0.00 2.82 2.46 -1.26 -5.10 115.29 115.38 1sn2 s HIS 126 Ca 0.06 1.41 0.00 0.00 0.47 0.00 0.00 55.06 57.00 1sn2 s HIS 126 Cb -0.05 -2.85 0.00 0.00 -0.13 0.00 0.00 32.58 29.55 1sn2 s HIS 126 CO 0.02 -0.98 0.00 0.39 -2.47 0.00 0.00 174.74 171.70