#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn2 n PRO 11 N 0.00 0.10 -3.90 0.00 -0.04 -1.26 -4.55 135.00 125.36 1sn2 n PRO 11 Ca 0.00 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 1sn2 n PRO 11 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 1sn2 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sn2 s LEU 12 N -2.91 2.15 0.18 1.53 2.96 -1.26 -0.89 118.68 120.45 1sn2 s LEU 12 Ca 0.17 -1.02 0.10 0.00 -0.22 0.00 0.00 54.13 53.16 1sn2 s LEU 12 Cb 0.19 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 1sn2 s LEU 12 CO 0.53 -0.24 -0.21 -0.04 -1.32 0.00 0.00 176.35 175.07 1sn2 s MET 13 N 1.52 1.41 0.11 1.98 -1.94 0.10 -4.58 119.30 117.90 1sn2 s MET 13 Ca -0.04 -1.48 0.07 0.00 -1.71 0.00 0.00 55.69 52.53 1sn2 s MET 13 Cb -0.18 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.02 1sn2 s MET 13 CO -0.07 0.34 -0.16 0.14 -0.01 0.00 0.00 175.02 175.25 1sn2 s VAL 14 N -1.86 1.43 -0.22 -6.03 -7.23 -1.26 -0.26 120.40 104.96 1sn2 s VAL 14 Ca 0.19 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1sn2 s VAL 14 Cb -0.07 -1.44 0.08 0.00 0.56 0.00 0.00 36.38 35.51 1sn2 s VAL 14 CO 0.09 -0.25 0.13 -0.75 -0.31 0.00 0.00 175.10 174.01 1sn2 s LYS 15 N -2.19 0.13 -0.18 4.82 2.47 -0.22 -4.30 119.74 120.26 1sn2 s LYS 15 Ca 0.06 -0.18 -0.05 0.00 -1.56 0.00 0.00 55.97 54.24 1sn2 s LYS 15 Cb -0.08 -1.49 -0.03 0.00 -1.46 0.00 0.00 37.83 34.77 1sn2 s LYS 15 CO 0.04 -0.79 -0.01 0.42 0.16 0.00 0.00 175.35 175.17 1sn2 s ILE 16 N 2.16 4.03 0.07 5.43 1.01 -0.15 -0.97 121.20 132.77 1sn2 s ILE 16 Ca 0.05 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1sn2 s ILE 16 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1sn2 s ILE 16 CO -0.19 0.46 -0.20 -0.76 0.00 0.00 0.00 174.94 174.25 1sn2 s LEU 17 N 0.67 2.54 -0.35 2.97 1.43 0.80 -0.69 118.68 126.06 1sn2 s LEU 17 Ca -0.01 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 1sn2 s LEU 17 Cb -0.14 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1sn2 s LEU 17 CO 0.02 0.23 0.24 -0.62 0.23 0.00 0.00 176.35 176.45 1sn2 s ASP 18 N -1.66 6.02 0.00 2.29 3.68 0.22 -0.54 116.67 126.69 1sn2 s ASP 18 Ca 0.15 -0.49 0.29 0.00 2.13 0.00 0.00 52.55 54.63 1sn2 s ASP 18 Cb -0.10 -2.13 1.30 0.00 -1.45 0.00 0.00 42.92 40.54 1sn2 s ASP 18 CO 0.06 -0.26 1.94 0.00 0.13 0.00 0.00 175.17 177.05 1sn2 n ALA 19 N 5.10 2.48 -0.07 3.66 0.00 0.71 -0.93 120.51 131.46 1sn2 n ALA 19 Ca -0.13 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 1sn2 n ALA 19 Cb 0.49 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 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 0.04 1.29 0.00 0.00 2.07 -1.94 -3.40 116.25 114.31 1sn2 h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1sn2 h VAL 20 Cb 0.42 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1sn2 h VAL 20 CO 0.00 0.51 -1.05 0.29 0.02 0.00 0.00 177.57 177.34 1sn2 n LYS 21 N -4.40 0.42 -2.87 1.57 5.02 -1.22 -4.98 118.16 111.71 1sn2 n LYS 21 Ca -0.22 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 55.97 1sn2 n LYS 21 Cb 0.65 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.30 0.03 3.15 0.72 0.00 -0.10 -5.03 105.19 105.25 1sn2 n GLY 22 Ca 0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.01 0.37 0.76 2.61 -4.23 -1.21 -5.00 115.64 105.93 1sn2 s THR 23 Ca 0.24 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 1sn2 s THR 23 Cb -0.11 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 71.98 1sn2 s THR 23 CO 0.30 -0.73 1.19 -2.84 -0.54 0.00 0.00 174.62 172.00 1sn2 s PRO 24 N -3.94 1.95 -0.51 3.99 0.02 -1.26 -0.61 135.00 134.64 1sn2 s PRO 24 Ca 0.16 1.71 -0.19 0.00 0.02 0.00 0.00 61.00 62.69 1sn2 s PRO 24 Cb 0.07 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.83 1sn2 s PRO 24 CO -0.03 -1.97 0.65 0.00 -0.33 0.00 0.00 177.00 175.31 1sn2 s ALA 25 N -2.12 3.38 0.37 -1.55 0.00 0.14 -4.59 121.76 117.39 1sn2 s ALA 25 Ca 0.73 -1.75 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1sn2 s ALA 25 Cb -0.28 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1sn2 s ALA 25 CO 0.48 -2.05 0.74 0.20 0.00 0.00 0.00 175.76 175.13 1sn2 s GLY 26 N 2.76 2.04 -1.34 0.00 0.00 -1.26 -4.19 107.32 105.34 1sn2 s GLY 26 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.63 1sn2 s GLY 26 CO 0.12 0.02 1.01 1.44 0.00 0.00 0.00 173.10 175.69 1sn2 n SER 27 N -1.03 -6.14 -4.61 1.64 7.64 0.45 -4.93 113.62 106.63 1sn2 n SER 27 Ca 0.02 -0.46 -0.39 0.00 1.01 0.00 0.00 58.87 59.05 1sn2 n SER 27 Cb 0.54 -4.81 -0.08 0.00 -1.01 0.00 0.00 64.21 58.84 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 -3.27 5.13 0.17 0.44 1.01 -1.26 -4.76 120.40 117.86 1sn2 s VAL 28 Ca 0.50 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1sn2 s VAL 28 Cb -0.22 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1sn2 s VAL 28 CO 0.62 0.13 1.02 0.00 0.00 0.00 0.00 175.10 176.87 1sn2 s ALA 29 N 2.13 3.32 0.15 5.51 0.00 -1.26 -1.09 121.76 130.52 1sn2 s ALA 29 Ca 0.18 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 1sn2 s ALA 29 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1sn2 s ALA 29 CO 0.09 -0.06 0.15 -0.48 0.00 0.00 0.00 175.76 175.46 1sn2 s LEU 30 N -0.44 1.42 -0.06 0.00 0.05 0.14 -0.60 118.68 119.20 1sn2 s LEU 30 Ca 0.47 -1.12 -0.10 0.00 0.05 0.00 0.00 54.13 53.43 1sn2 s LEU 30 Cb -0.27 0.62 0.02 0.00 -2.05 0.00 0.00 46.19 44.51 1sn2 s LEU 30 CO 0.33 -0.80 0.25 -1.59 -0.55 0.00 0.00 176.35 173.98 1sn2 s LYS 31 N -4.03 0.44 -0.14 1.48 -2.85 -0.58 -1.56 119.74 112.49 1sn2 s LYS 31 Ca 0.23 0.06 -0.02 0.00 -1.00 0.00 0.00 55.97 55.25 1sn2 s LYS 31 Cb 0.06 0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1sn2 s LYS 31 CO 0.03 -0.09 -0.09 0.08 0.10 0.00 0.00 175.35 175.37 1sn2 s VAL 32 N -0.56 3.41 0.17 1.79 1.01 0.30 -1.08 120.40 125.45 1sn2 s VAL 32 Ca -0.07 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1sn2 s VAL 32 Cb -0.04 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1sn2 s VAL 32 CO 0.02 0.51 -0.17 -0.44 0.00 0.00 0.00 175.10 175.02 1sn2 s SER 33 N 0.34 2.60 -0.03 3.32 0.01 0.11 -0.71 113.70 119.33 1sn2 s SER 33 Ca -0.08 -0.89 0.07 0.00 1.31 0.00 0.00 55.95 56.36 1sn2 s SER 33 Cb -0.15 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 1sn2 s SER 33 CO 0.05 -0.08 -0.25 -1.58 0.41 0.00 0.00 173.24 171.79 1sn2 s GLN 34 N -2.99 2.16 0.10 12.44 0.74 0.53 -1.06 119.66 131.59 1sn2 s GLN 34 Ca 0.17 -0.88 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 1sn2 s GLN 34 Cb -0.04 -2.00 -0.06 0.00 1.10 0.00 0.00 33.01 32.01 1sn2 s GLN 34 CO 0.06 0.48 1.17 0.21 -0.55 0.00 0.00 175.29 176.66 1sn2 s LYS 35 N -0.44 4.48 0.45 1.67 2.20 -0.32 -0.89 119.74 126.89 1sn2 s LYS 35 Ca 0.05 1.76 0.07 0.00 -0.36 0.00 0.00 55.97 57.49 1sn2 s LYS 35 Cb -0.11 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1sn2 s LYS 35 CO 0.01 -0.15 0.62 0.95 -0.36 0.00 0.00 175.35 176.41 1sn2 s THR 36 N 0.62 2.87 0.25 3.43 -4.23 -0.08 -4.75 115.64 113.75 1sn2 s THR 36 Ca 0.56 -0.95 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1sn2 s THR 36 Cb -0.30 -2.92 0.34 0.00 1.34 0.00 0.00 72.50 70.96 1sn2 s THR 36 CO 0.31 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 176.00 1sn2 h ALA 37 N 0.51 0.66 -0.12 3.99 0.00 -1.96 0.12 119.26 122.46 1sn2 h ALA 37 Ca -0.39 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sn2 h ALA 37 Cb 1.28 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1sn2 h ALA 37 CO 0.45 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 1sn2 n ASP 38 N -5.48 1.20 0.00 0.00 3.85 -1.26 -4.89 116.55 109.96 1sn2 n ASP 38 Ca 0.13 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 1sn2 n ASP 38 Cb 0.46 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1sn2 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sn2 n GLY 39 N 0.47 1.20 1.08 6.12 0.00 0.03 -5.05 105.19 109.03 1sn2 n GLY 39 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 -0.09 3.30 -0.02 0.00 -1.26 -4.75 105.19 100.37 1sn2 n GLY 40 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.16 2.33 -0.12 1.61 0.52 -1.26 -0.90 118.94 119.97 1sn2 s TRP 41 Ca 0.19 -0.49 0.03 0.00 0.02 0.00 0.00 56.10 55.85 1sn2 s TRP 41 Cb -0.01 -1.51 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 1sn2 s TRP 41 CO 0.13 -0.07 -0.22 -0.08 0.02 0.00 0.00 176.95 176.72 1sn2 s THR 42 N -0.52 2.12 -0.03 2.01 -1.32 -0.07 -4.93 115.64 112.89 1sn2 s THR 42 Ca 0.07 -0.98 -0.30 0.00 -1.21 0.00 0.00 61.69 59.27 1sn2 s THR 42 Cb -0.11 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 1sn2 s THR 42 CO -0.00 0.55 1.20 -1.58 -2.21 0.00 0.00 174.62 172.58 1sn2 s GLN 43 N 0.57 4.37 -0.00 7.08 0.74 -1.26 -0.35 119.66 130.81 1sn2 s GLN 43 Ca -0.13 1.69 0.07 0.00 0.05 0.00 0.00 55.36 57.03 1sn2 s GLN 43 Cb -0.17 -3.52 -0.08 0.00 1.10 0.00 0.00 33.01 30.35 1sn2 s GLN 43 CO 0.04 -0.41 0.27 0.44 -0.55 0.00 0.00 175.29 175.08 1sn2 n ILE 44 N 4.48 0.00 -3.53 -2.34 -5.35 0.11 -4.95 119.36 107.79 1sn2 n ILE 44 Ca 0.10 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.17 1sn2 n ILE 44 Cb 0.46 0.93 -0.03 0.00 -1.74 0.00 0.00 39.64 39.26 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 -1.73 -1.86 0.04 -1.28 0.00 -1.12 -5.00 121.76 110.82 1sn2 s ALA 45 Ca 0.02 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 1sn2 s ALA 45 Cb 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1sn2 s ALA 45 CO 0.28 -0.57 0.00 0.95 0.00 0.00 0.00 175.76 176.42 1sn2 s THR 46 N -2.48 0.18 0.14 0.00 -4.23 -1.26 -0.54 115.64 107.45 1sn2 s THR 46 Ca 0.03 -1.48 -0.25 0.00 -1.18 0.00 0.00 61.69 58.81 1sn2 s THR 46 Cb -0.01 -1.16 0.08 0.00 1.34 0.00 0.00 72.50 72.75 1sn2 s THR 46 CO -0.05 -0.82 1.05 -0.83 -0.54 0.00 0.00 174.62 173.43 1sn2 s GLY 47 N -2.50 -0.11 -0.04 3.99 0.00 -0.60 -4.99 107.32 103.07 1sn2 s GLY 47 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.75 1sn2 s GLY 47 CO -0.07 1.18 -0.07 0.14 0.00 0.00 0.00 173.10 174.27 1sn2 s VAL 48 N -2.67 0.69 0.55 1.40 1.01 -1.26 -0.69 120.40 119.43 1sn2 s VAL 48 Ca 0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1sn2 s VAL 48 Cb -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1sn2 s VAL 48 CO 0.03 0.24 1.17 0.42 0.00 0.00 0.00 175.10 176.96 1sn2 s THR 49 N 0.53 2.90 0.15 3.92 -4.23 -0.25 -4.81 115.64 113.85 1sn2 s THR 49 Ca -0.08 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1sn2 s THR 49 Cb -0.12 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.51 1sn2 s THR 49 CO 0.01 -0.10 0.20 -0.90 -0.54 0.00 0.00 174.62 173.29 1sn2 n ASP 50 N -1.29 0.11 0.14 3.99 5.68 0.10 -0.41 116.55 124.87 1sn2 n ASP 50 Ca 0.12 -1.13 0.11 0.00 -0.50 0.00 0.00 54.79 53.39 1sn2 n ASP 50 Cb 0.50 -0.15 0.52 0.00 -1.14 0.00 0.00 41.12 40.85 1sn2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn2 n ALA 51 N -3.08 1.40 0.88 2.12 0.00 -1.26 -1.39 120.51 119.18 1sn2 n ALA 51 Ca -0.03 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1sn2 n ALA 51 Cb 0.10 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.48 1sn2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sn2 n THR 52 N -2.22 0.25 -1.30 0.00 -2.24 -1.26 -4.62 114.28 102.89 1sn2 n THR 52 Ca 0.01 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 1sn2 n THR 52 Cb 0.15 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.32 0.60 3.52 3.38 0.00 -0.49 -4.72 105.19 108.79 1sn2 n GLY 53 Ca 0.17 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.70 1.76 -0.14 1.61 2.02 -1.26 -0.98 118.70 119.01 1sn2 s GLU 54 Ca 0.00 -1.96 -0.03 0.00 0.02 0.00 0.00 54.97 53.00 1sn2 s GLU 54 Cb 0.00 -1.31 0.05 0.00 0.10 0.00 0.00 34.13 32.97 1sn2 s GLU 54 CO 0.00 -0.05 0.04 0.42 0.02 0.00 0.00 175.26 175.69 1sn2 s ILE 55 N -2.94 0.27 0.16 -1.63 1.01 -1.26 -0.72 121.20 116.09 1sn2 s ILE 55 Ca 0.34 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1sn2 s ILE 55 Cb 0.07 -0.69 -0.08 0.00 0.01 0.00 0.00 42.46 41.77 1sn2 s ILE 55 CO 0.16 -0.05 0.71 -1.00 0.00 0.00 0.00 174.94 174.75 1sn2 s HIS 56 N 1.99 3.81 -1.28 3.97 3.76 -1.26 -4.09 115.29 122.20 1sn2 s HIS 56 Ca 0.02 1.48 -0.02 0.00 -0.15 0.00 0.00 55.06 56.38 1sn2 s HIS 56 Cb -0.15 -2.66 0.01 0.00 1.11 0.00 0.00 32.58 30.89 1sn2 s HIS 56 CO -0.07 0.49 0.94 0.09 -0.85 0.00 0.00 174.74 175.34 1sn2 n ASN 57 N 1.39 -2.66 0.03 1.40 5.03 -1.26 -4.91 115.26 114.28 1sn2 n ASN 57 Ca -0.06 -0.68 -0.12 0.00 0.87 0.00 0.00 54.58 54.59 1sn2 n ASN 57 Cb 0.50 -4.72 -0.08 0.00 -1.02 0.00 0.00 39.78 34.46 1sn2 n ASN 57 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1sn2 h LEU 58 N -2.03 -0.01 -8.39 3.41 5.85 -1.81 -3.46 115.31 108.87 1sn2 h LEU 58 Ca -0.59 -0.15 -0.17 0.00 0.84 0.00 0.00 57.88 57.81 1sn2 h LEU 58 Cb 1.35 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.25 1sn2 h LEU 58 CO 0.54 0.14 -0.50 0.27 -0.34 0.00 0.00 178.44 178.55 1sn2 s ILE 59 N -5.59 0.04 0.36 4.05 -4.36 -1.26 -4.83 121.20 109.61 1sn2 s ILE 59 Ca -0.14 -1.77 0.08 0.00 -0.26 0.00 0.00 60.65 58.56 1sn2 s ILE 59 Cb 0.05 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 1sn2 s ILE 59 CO 0.66 -0.19 0.26 0.42 0.24 0.00 0.00 174.94 176.33 1sn2 s THR 60 N -4.07 3.16 0.41 8.37 -4.23 -1.26 -4.56 115.64 113.46 1sn2 s THR 60 Ca 0.28 -1.47 0.12 0.00 -1.18 0.00 0.00 61.69 59.44 1sn2 s THR 60 Cb 0.05 -3.08 0.33 0.00 1.34 0.00 0.00 72.50 71.14 1sn2 s THR 60 CO 0.06 -0.13 1.95 -0.33 -0.54 0.00 0.00 174.62 175.63 1sn2 h GLU 61 N 1.30 0.49 -0.65 3.99 5.08 -2.00 -0.63 114.58 122.15 1sn2 h GLU 61 Ca -0.44 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1sn2 h GLU 61 Cb 1.26 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1sn2 h GLU 61 CO 0.60 0.32 0.39 0.37 -1.00 0.00 0.00 179.01 179.69 1sn2 h GLN 62 N 0.50 0.88 -0.09 2.33 4.15 -2.04 -1.77 115.11 119.08 1sn2 h GLN 62 Ca 0.32 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1sn2 h GLN 62 Cb 0.58 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1sn2 h GLN 62 CO -0.11 0.62 0.00 1.04 -1.93 0.00 0.00 178.83 178.46 1sn2 n GLN 63 N -4.40 1.51 -3.03 1.69 6.02 -0.27 -4.48 117.38 114.43 1sn2 n GLN 63 Ca 0.06 -0.77 -0.23 0.00 -0.01 0.00 0.00 57.00 56.05 1sn2 n GLN 63 Cb 0.07 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.03 2.56 -1.91 1.08 7.35 -0.66 -4.91 117.46 120.94 1sn2 n PHE 64 Ca 0.17 -3.91 -0.30 0.00 -0.76 0.00 0.00 57.45 52.64 1sn2 n PHE 64 Cb 0.26 -0.46 0.04 0.00 0.35 0.00 0.00 39.48 39.68 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 -3.08 2.97 0.45 -7.13 0.04 -1.26 -4.64 135.00 122.35 1sn2 s PRO 65 Ca 0.45 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 1sn2 s PRO 65 Cb 0.31 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 1sn2 s PRO 65 CO -0.12 -0.95 0.50 0.00 0.04 0.00 0.00 177.00 176.47 1sn2 n ALA 66 N -2.95 -1.55 0.00 8.56 0.00 -1.26 -4.88 120.51 118.43 1sn2 n ALA 66 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1sn2 n ALA 66 Cb 0.57 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.83 0.69 3.82 0.00 0.00 -1.05 -4.98 105.19 105.50 1sn2 n GLY 67 Ca 0.11 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.58 5.04 0.11 1.61 1.01 -1.26 0.43 120.40 125.76 1sn2 s VAL 68 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.88 1sn2 s VAL 68 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1sn2 s VAL 68 CO 0.00 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.22 1sn2 s TYR 69 N -0.92 1.27 -0.07 5.22 1.51 0.10 -1.18 117.35 123.29 1sn2 s TYR 69 Ca 0.24 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1sn2 s TYR 69 Cb -0.17 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1sn2 s TYR 69 CO 0.13 0.09 -0.08 0.50 -1.11 0.00 0.00 175.55 175.08 1sn2 s ARG 70 N -2.68 1.30 -0.21 -0.62 3.52 -0.22 -0.89 118.95 119.14 1sn2 s ARG 70 Ca 0.07 -0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 55.42 1sn2 s ARG 70 Cb -0.04 -1.25 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1sn2 s ARG 70 CO 0.02 -0.11 -0.10 0.08 -0.81 0.00 0.00 175.30 174.38 1sn2 s VAL 71 N 1.13 2.78 -0.23 7.11 1.01 0.25 0.06 120.40 132.51 1sn2 s VAL 71 Ca -0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1sn2 s VAL 71 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1sn2 s VAL 71 CO -0.01 0.40 0.05 -0.70 0.00 0.00 0.00 175.10 174.83 1sn2 s GLU 72 N 1.37 3.68 -0.16 2.72 2.12 -0.24 -0.76 118.70 127.42 1sn2 s GLU 72 Ca 0.04 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.85 1sn2 s GLU 72 Cb -0.14 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1sn2 s GLU 72 CO -0.07 -0.07 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.49 1sn2 s PHE 73 N 1.27 3.05 -1.30 5.30 0.40 0.66 -1.53 117.98 125.83 1sn2 s PHE 73 Ca 0.04 -0.26 -0.14 0.00 -0.60 0.00 0.00 56.93 55.97 1sn2 s PHE 73 Cb -0.15 -1.97 0.12 0.00 0.51 0.00 0.00 43.02 41.53 1sn2 s PHE 73 CO 0.03 -0.02 1.79 -3.47 0.70 0.00 0.00 175.22 174.24 1sn2 n ASP 74 N 3.54 4.84 0.16 1.36 -0.08 0.23 -1.13 116.55 125.47 1sn2 n ASP 74 Ca -0.17 -2.97 0.04 0.00 -1.51 0.00 0.00 54.79 50.18 1sn2 n ASP 74 Cb 0.52 -1.61 0.16 0.00 2.34 0.00 0.00 41.12 42.53 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 4.51 0.85 -0.04 5.18 1.35 -1.86 -3.18 112.91 119.73 1sn2 h THR 75 Ca 0.42 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1sn2 h THR 75 Cb 0.76 2.23 -0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1sn2 h THR 75 CO 1.53 0.44 0.01 0.50 -0.25 0.00 0.00 175.52 177.75 1sn2 h LYS 76 N 0.00 0.03 -0.64 4.72 3.64 -1.73 -1.60 116.57 121.00 1sn2 h LYS 76 Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1sn2 h LYS 76 Cb 1.19 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1sn2 h LYS 76 CO 0.06 0.02 0.33 0.00 -2.27 0.00 0.00 179.45 177.60 1sn2 h ALA 77 N 1.03 1.39 -0.24 5.00 0.00 -1.86 0.17 119.26 124.74 1sn2 h ALA 77 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sn2 h ALA 77 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1sn2 h ALA 77 CO -0.02 0.49 0.12 -0.92 0.00 0.00 0.00 179.25 178.92 1sn2 h TYR 78 N 0.89 0.22 -0.25 0.00 3.20 -1.43 -0.95 116.97 118.65 1sn2 h TYR 78 Ca 0.23 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 1sn2 h TYR 78 Cb 0.05 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1sn2 h TYR 78 CO 0.01 0.12 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.65 1sn2 h TRP 79 N 0.25 0.99 -0.84 -3.82 4.06 -0.83 -2.00 115.95 113.75 1sn2 h TRP 79 Ca 0.10 -0.36 0.09 0.00 2.06 0.00 0.00 58.89 60.77 1sn2 h TRP 79 Cb 0.02 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 27.93 1sn2 h TRP 79 CO -0.09 1.17 0.50 1.15 -3.56 0.00 0.00 178.44 177.60 1sn2 h THR 80 N 0.53 0.95 -0.33 1.49 2.02 -0.89 0.83 112.91 117.52 1sn2 h THR 80 Ca 0.01 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 1sn2 h THR 80 Cb 1.12 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1sn2 h THR 80 CO 0.11 0.16 -0.18 -1.13 0.37 0.00 0.00 175.52 174.85 1sn2 h ASN 81 N 0.85 0.60 0.90 4.18 -0.73 -1.01 -2.48 115.58 117.89 1sn2 h ASN 81 Ca 0.40 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1sn2 h ASN 81 Cb 0.31 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1sn2 h ASN 81 CO -0.23 0.79 0.00 0.00 -0.37 0.00 0.00 177.43 177.62 1sn2 n GLN 82 N -4.15 0.14 -0.11 6.67 1.13 -0.55 -4.88 117.38 115.64 1sn2 n GLN 82 Ca 0.00 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1sn2 n GLN 82 Cb 0.38 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 29.00 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 0.52 0.63 3.88 1.08 0.00 -0.49 -5.08 105.19 105.74 1sn2 n GLY 83 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1sn2 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sn2 s SER 84 N -2.80 6.56 -0.48 1.61 0.01 0.17 -4.97 113.70 113.80 1sn2 s SER 84 Ca 0.00 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 57.74 1sn2 s SER 84 Cb 0.00 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 64.15 1sn2 s SER 84 CO 0.00 0.23 0.56 -0.89 0.41 0.00 0.00 173.24 173.55 1sn2 s THR 85 N -1.32 4.96 0.47 1.44 2.01 -1.26 -3.31 115.64 118.63 1sn2 s THR 85 Ca 0.29 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1sn2 s THR 85 Cb -0.14 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.16 1sn2 s THR 85 CO 0.16 -0.70 0.67 -2.16 -0.69 0.00 0.00 174.62 171.90 1sn2 s PRO 86 N 2.40 2.77 -0.20 4.92 0.04 -1.26 -4.86 135.00 138.81 1sn2 s PRO 86 Ca 0.13 -0.90 -0.21 0.00 0.04 0.00 0.00 61.00 60.06 1sn2 s PRO 86 Cb -0.19 -2.61 -0.19 0.00 0.04 0.00 0.00 34.50 31.54 1sn2 s PRO 86 CO 0.12 -0.43 0.25 0.35 0.04 0.00 0.00 177.00 177.33 1sn2 h PHE 87 N 0.38 0.00 -3.81 0.56 3.57 -1.50 -3.48 116.94 112.66 1sn2 h PHE 87 Ca -0.43 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.59 1sn2 h PHE 87 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1sn2 h PHE 87 CO 0.40 1.33 0.30 -1.01 -2.23 0.00 0.00 178.31 177.10 1sn2 s HIS 88 N -2.33 3.72 0.19 0.41 3.76 -1.26 -4.96 115.29 114.82 1sn2 s HIS 88 Ca -0.27 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1sn2 s HIS 88 Cb 0.05 -2.87 0.11 0.00 1.11 0.00 0.00 32.58 30.97 1sn2 s HIS 88 CO 0.57 0.27 1.47 0.93 -0.85 0.00 0.00 174.74 177.13 1sn2 h GLU 89 N 3.34 0.37 -2.82 1.40 4.39 -1.98 -3.37 114.58 115.91 1sn2 h GLU 89 Ca -0.47 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 58.97 1sn2 h GLU 89 Cb 1.19 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 1sn2 h GLU 89 CO 0.65 0.92 0.28 0.54 -1.16 0.00 0.00 179.01 180.24 1sn2 s VAL 90 N -3.68 0.00 -0.18 3.13 0.11 -1.26 -3.63 120.40 114.90 1sn2 s VAL 90 Ca -0.05 -0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1sn2 s VAL 90 Cb 0.11 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1sn2 s VAL 90 CO 0.83 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 172.50 1sn2 s ALA 91 N -3.62 2.68 -0.12 1.54 0.00 -0.29 -4.90 121.76 117.06 1sn2 s ALA 91 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1sn2 s ALA 91 Cb -0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1sn2 s ALA 91 CO -0.10 -0.12 -0.13 -1.21 0.00 0.00 0.00 175.76 174.20 1sn2 s GLU 92 N 0.96 3.24 -0.18 0.00 0.41 -1.26 -0.24 118.70 121.62 1sn2 s GLU 92 Ca -0.01 -0.68 0.01 0.00 -0.41 0.00 0.00 54.97 53.87 1sn2 s GLU 92 Cb -0.15 -2.60 0.03 0.00 -1.78 0.00 0.00 34.13 29.64 1sn2 s GLU 92 CO -0.01 0.29 -0.13 0.08 -0.49 0.00 0.00 175.26 175.00 1sn2 s VAL 93 N 0.15 1.72 -0.11 2.63 1.01 0.06 -4.99 120.40 120.86 1sn2 s VAL 93 Ca -0.07 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1sn2 s VAL 93 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1sn2 s VAL 93 CO 0.05 0.33 -0.22 -0.69 0.00 0.00 0.00 175.10 174.56 1sn2 s VAL 94 N 1.39 1.99 -0.03 2.92 1.01 -1.26 -0.59 120.40 125.84 1sn2 s VAL 94 Ca 0.02 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 1sn2 s VAL 94 Cb -0.15 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1sn2 s VAL 94 CO -0.10 0.54 0.60 0.72 0.00 0.00 0.00 175.10 176.86 1sn2 s PHE 95 N 0.56 -0.55 0.00 5.22 -0.12 -0.07 -4.99 117.98 118.03 1sn2 s PHE 95 Ca -0.14 0.89 -0.27 0.00 -0.05 0.00 0.00 56.93 57.37 1sn2 s PHE 95 Cb -0.17 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1sn2 s PHE 95 CO 0.04 -0.59 0.83 0.34 -0.05 0.00 0.00 175.22 175.80 1sn2 s ASP 96 N -1.35 7.22 -0.05 1.98 -1.08 -1.26 0.03 116.67 122.16 1sn2 s ASP 96 Ca -0.10 1.47 0.02 0.00 -0.52 0.00 0.00 52.55 53.41 1sn2 s ASP 96 Cb -0.01 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 1sn2 s ASP 96 CO 0.07 -0.12 -0.08 0.00 0.52 0.00 0.00 175.17 175.56 1sn2 s ALA 97 N 0.54 2.92 -0.51 3.66 0.00 0.17 -4.96 121.76 123.60 1sn2 s ALA 97 Ca 0.43 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1sn2 s ALA 97 Cb -0.20 -1.15 0.25 0.00 0.00 0.00 0.00 23.12 22.02 1sn2 s ALA 97 CO 0.24 0.58 0.64 0.72 0.00 0.00 0.00 175.76 177.93 1sn2 n HIS 98 N 2.08 1.56 0.42 0.00 -0.00 -1.26 -2.53 115.22 115.49 1sn2 n HIS 98 Ca -0.17 -3.85 0.12 0.00 -0.00 0.00 0.00 57.72 53.83 1sn2 n HIS 98 Cb 0.53 -0.45 0.27 0.00 -0.00 0.00 0.00 29.99 30.33 1sn2 n HIS 98 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sn2 h PRO 99 N 4.04 0.00 -5.02 -0.41 0.13 -1.83 -3.44 132.00 125.46 1sn2 h PRO 99 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 1sn2 h PRO 99 Cb 0.77 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.94 1sn2 h PRO 99 CO 0.64 0.00 0.69 0.39 -0.23 0.00 0.00 178.00 179.49 1sn2 n GLU 100 N -2.63 0.03 0.00 0.86 -0.58 -1.26 -2.14 120.64 114.92 1sn2 n GLU 100 Ca 0.04 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 1sn2 n GLU 100 Cb 0.48 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1sn2 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sn2 n GLY 101 N 4.91 0.00 2.31 0.62 0.00 -1.26 -4.88 105.19 106.89 1sn2 n GLY 101 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1sn2 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sn2 n HIS 102 N 0.00 -1.07 -2.40 1.61 8.25 -0.91 -4.90 115.22 115.80 1sn2 n HIS 102 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1sn2 n HIS 102 Cb 0.00 -2.80 -0.02 0.00 1.12 0.00 0.00 29.99 28.28 1sn2 n HIS 102 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1sn2 s ARG 103 N -4.46 4.16 0.11 -0.41 6.06 -1.03 -5.02 118.95 118.36 1sn2 s ARG 103 Ca 0.00 1.60 -0.21 0.00 -2.50 0.00 0.00 55.73 54.63 1sn2 s ARG 103 Cb 0.00 -3.80 -0.07 0.00 0.06 0.00 0.00 34.95 31.14 1sn2 s ARG 103 CO 0.00 -0.80 0.64 -1.01 -2.50 0.00 0.00 175.30 171.62 1sn2 s HIS 104 N 3.72 3.82 -0.15 5.12 3.76 0.32 -4.68 115.29 127.20 1sn2 s HIS 104 Ca 0.56 1.37 0.02 0.00 -0.15 0.00 0.00 55.06 56.86 1sn2 s HIS 104 Cb -0.21 -2.57 0.01 0.00 1.11 0.00 0.00 32.58 30.92 1sn2 s HIS 104 CO 0.17 0.54 -0.19 0.71 -0.85 0.00 0.00 174.74 175.12 1sn2 s TYR 105 N -1.17 2.53 -0.17 1.40 1.51 -0.06 -0.73 117.35 120.66 1sn2 s TYR 105 Ca 0.32 -1.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.04 1sn2 s TYR 105 Cb -0.20 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1sn2 s TYR 105 CO 0.21 -0.65 -0.17 0.99 -1.11 0.00 0.00 175.55 174.83 1sn2 s THR 106 N 1.04 2.45 -0.41 -0.71 2.01 -0.53 0.02 115.64 119.50 1sn2 s THR 106 Ca -0.02 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 1sn2 s THR 106 Cb -0.14 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1sn2 s THR 106 CO -0.06 0.52 0.34 -0.76 -0.69 0.00 0.00 174.62 173.97 1sn2 s LEU 107 N 1.07 5.04 -0.11 4.42 1.02 0.64 -1.53 118.68 129.22 1sn2 s LEU 107 Ca -0.01 -0.83 -0.13 0.00 0.02 0.00 0.00 54.13 53.18 1sn2 s LEU 107 Cb -0.14 -2.23 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 1sn2 s LEU 107 CO -0.05 -0.49 0.31 0.00 0.02 0.00 0.00 176.35 176.14 1sn2 s ALA 108 N 1.82 3.65 -0.07 4.21 0.00 -0.26 -1.06 121.76 130.05 1sn2 s ALA 108 Ca 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1sn2 s ALA 108 Cb -0.18 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1sn2 s ALA 108 CO 0.11 0.25 -0.01 -1.17 0.00 0.00 0.00 175.76 174.95 1sn2 s LEU 109 N -0.11 0.70 -0.28 0.00 2.96 -0.15 -1.07 118.68 120.74 1sn2 s LEU 109 Ca 0.19 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1sn2 s LEU 109 Cb -0.14 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.10 1sn2 s LEU 109 CO 0.07 -0.17 0.06 -0.22 -1.32 0.00 0.00 176.35 174.76 1sn2 s LEU 110 N 1.83 3.67 -0.13 -0.68 2.96 -0.07 -0.14 118.68 126.13 1sn2 s LEU 110 Ca 0.03 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1sn2 s LEU 110 Cb -0.12 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1sn2 s LEU 110 CO -0.05 -0.15 0.01 -0.76 -1.32 0.00 0.00 176.35 174.08 1sn2 s LEU 111 N 1.51 3.56 0.13 -0.68 1.43 0.30 -1.43 118.68 123.49 1sn2 s LEU 111 Ca 0.03 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1sn2 s LEU 111 Cb -0.17 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1sn2 s LEU 111 CO 0.02 0.26 -0.11 -0.44 0.23 0.00 0.00 176.35 176.31 1sn2 s SER 112 N -0.16 1.72 0.36 2.29 0.01 0.14 -0.21 113.70 117.86 1sn2 s SER 112 Ca 0.05 -0.93 0.10 0.00 1.31 0.00 0.00 55.95 56.48 1sn2 s SER 112 Cb -0.12 -0.01 0.86 0.00 0.21 0.00 0.00 66.02 66.95 1sn2 s SER 112 CO 0.02 -0.29 1.86 -0.65 0.41 0.00 0.00 173.24 174.59 1sn2 h PRO 113 N 3.11 0.63 -0.10 12.44 0.11 -1.99 -2.80 132.00 143.39 1sn2 h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.59 0.42 0.00 1.19 -0.21 0.00 0.00 178.00 179.98 1sn2 n PHE 114 N -4.57 0.36 -3.60 0.65 3.01 -1.26 -1.18 117.46 110.87 1sn2 n PHE 114 Ca 0.18 -0.94 -0.16 0.00 1.01 0.00 0.00 57.45 57.55 1sn2 n PHE 114 Cb 0.52 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 39.72 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 -2.46 -0.64 0.04 4.37 0.15 -1.06 -4.94 113.70 109.16 1sn2 s SER 115 Ca 0.35 0.94 -0.04 0.00 0.70 0.00 0.00 55.95 57.90 1sn2 s SER 115 Cb 0.30 0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 1sn2 s SER 115 CO 0.05 -0.43 0.07 -0.72 1.20 0.00 0.00 173.24 173.42 1sn2 s TYR 116 N -0.52 0.24 -0.12 3.44 -0.85 -1.26 -0.68 117.35 117.60 1sn2 s TYR 116 Ca -0.06 -0.57 0.03 0.00 -0.52 0.00 0.00 57.07 55.94 1sn2 s TYR 116 Cb -0.02 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.15 1sn2 s TYR 116 CO 0.05 -0.35 -0.21 0.99 -1.52 0.00 0.00 175.55 174.51 1sn2 s THR 117 N -2.68 1.95 -0.18 -3.49 2.01 -0.51 -4.97 115.64 107.76 1sn2 s THR 117 Ca -0.04 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 1sn2 s THR 117 Cb -0.01 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1sn2 s THR 117 CO -0.05 0.53 -0.11 0.28 -0.69 0.00 0.00 174.62 174.58 1sn2 s THR 118 N 0.72 2.97 0.17 -0.82 -1.32 -1.26 -0.89 115.64 115.22 1sn2 s THR 118 Ca -0.10 -0.65 0.05 0.00 -1.21 0.00 0.00 61.69 59.78 1sn2 s THR 118 Cb -0.16 -2.30 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 1sn2 s THR 118 CO 0.01 0.48 -0.10 0.28 -2.21 0.00 0.00 174.62 173.08 1sn2 s THR 119 N 1.03 1.30 -0.01 5.08 -1.32 -0.23 -5.00 115.64 116.48 1sn2 s THR 119 Ca -0.01 -2.10 0.05 0.00 -1.21 0.00 0.00 61.69 58.43 1sn2 s THR 119 Cb -0.15 -1.95 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 1sn2 s THR 119 CO -0.02 -0.67 -0.16 0.00 -2.21 0.00 0.00 174.62 171.57 1sn2 s ALA 120 N -3.25 1.31 -0.21 11.08 0.00 -1.26 -1.10 121.76 128.33 1sn2 s ALA 120 Ca 0.19 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1sn2 s ALA 120 Cb 0.02 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1sn2 s ALA 120 CO 0.03 0.32 -0.16 0.08 0.00 0.00 0.00 175.76 176.03 1sn2 s VAL 121 N -0.38 2.25 -0.25 0.00 1.01 -0.58 -5.00 120.40 117.44 1sn2 s VAL 121 Ca 0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1sn2 s VAL 121 Cb -0.06 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1sn2 s VAL 121 CO -0.01 0.38 -0.01 -0.69 0.00 0.00 0.00 175.10 174.78 1sn2 s VAL 122 N 1.26 3.44 -1.89 2.92 1.01 -1.26 -1.46 120.40 124.42 1sn2 s VAL 122 Ca 0.02 -0.71 0.15 0.00 0.00 0.00 0.00 61.98 61.44 1sn2 s VAL 122 Cb -0.15 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.66 1sn2 s VAL 122 CO -0.10 0.24 0.98 -0.24 0.00 0.00 0.00 175.10 175.98