#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0l s ALA 2 N 0.00 3.66 0.82 0.00 0.00 -1.26 -5.01 121.76 119.97 2g0l s ALA 2 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 2g0l s ALA 2 Cb 0.00 -3.63 0.11 0.00 0.00 0.00 0.00 23.12 19.60 2g0l s ALA 2 CO 0.00 -0.90 1.17 -1.25 0.00 0.00 0.00 175.76 174.78 2g0l s PRO 3 N 2.02 1.68 -0.33 0.00 0.04 -1.26 -5.01 135.00 132.13 2g0l s PRO 3 Ca 0.69 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.61 2g0l s PRO 3 Cb -0.38 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.26 2g0l s PRO 3 CO 0.30 -1.71 0.03 0.99 0.04 0.00 0.00 177.00 176.65 2g0l s THR 4 N -3.57 2.42 -0.07 1.26 2.01 -0.12 -5.02 115.64 112.55 2g0l s THR 4 Ca 0.65 -2.09 -0.18 0.00 0.31 0.00 0.00 61.69 60.38 2g0l s THR 4 Cb -0.09 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2g0l s THR 4 CO 0.49 -0.45 0.49 0.00 -0.69 0.00 0.00 174.62 174.46 2g0l s ALA 5 N 1.00 3.52 -0.41 7.40 0.00 -1.26 -0.89 121.76 131.12 2g0l s ALA 5 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2g0l s ALA 5 Cb -0.20 -2.62 0.20 0.00 0.00 0.00 0.00 23.12 20.49 2g0l s ALA 5 CO -0.06 0.12 0.41 0.25 0.00 0.00 0.00 175.76 176.48 2g0l n THR 6 N 3.13 -1.03 -4.65 0.00 -2.24 -0.15 -5.00 114.28 104.33 2g0l n THR 6 Ca -0.08 -3.52 -0.33 0.00 -2.27 0.00 0.00 64.05 57.85 2g0l n THR 6 Cb 0.52 -1.65 -0.12 0.00 -2.10 0.00 0.00 70.33 66.99 2g0l n THR 6 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2g0l s VAL 7 N -0.29 3.52 -0.41 2.28 -7.23 -1.26 -1.80 120.40 115.21 2g0l s VAL 7 Ca 0.34 -0.62 -0.14 0.00 -1.81 0.00 0.00 61.98 59.75 2g0l s VAL 7 Cb 0.08 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.61 2g0l s VAL 7 CO -0.17 0.55 0.28 -0.89 -0.31 0.00 0.00 175.10 174.56 2g0l s THR 8 N -0.83 5.02 0.30 5.32 2.01 0.52 -5.01 115.64 122.97 2g0l s THR 8 Ca 0.13 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 61.09 2g0l s THR 8 Cb -0.11 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 2g0l s THR 8 CO 0.03 -0.33 0.88 -2.16 -0.69 0.00 0.00 174.62 172.34 2g0l s PRO 9 N 1.63 4.45 -1.26 4.92 0.04 -1.26 -3.79 135.00 139.73 2g0l s PRO 9 Ca 0.04 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 2g0l s PRO 9 Cb -0.20 -2.78 0.16 0.00 0.04 0.00 0.00 34.50 31.73 2g0l s PRO 9 CO 0.08 0.29 2.22 0.43 0.04 0.00 0.00 177.00 180.07 2g0l n SER 10 N 0.51 7.65 -4.64 6.66 7.64 -1.26 -4.97 113.62 125.21 2g0l n SER 10 Ca 0.01 -3.25 -0.43 0.00 1.01 0.00 0.00 58.87 56.22 2g0l n SER 10 Cb 0.51 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 2g0l n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2g0l s SER 11 N 0.04 6.77 -0.72 6.43 0.01 -1.26 -3.20 113.70 121.77 2g0l s SER 11 Ca 0.50 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2g0l s SER 11 Cb 0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2g0l s SER 11 CO -0.09 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2g0l n GLY 12 N 4.03 0.29 0.00 3.44 0.00 -0.66 -4.99 105.19 107.30 2g0l n GLY 12 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2g0l n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0l n LEU 13 N -1.07 0.00 0.00 0.99 4.77 -1.20 -4.36 117.00 116.14 2g0l n LEU 13 Ca -0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.71 2g0l n LEU 13 Cb 0.49 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2g0l n LEU 13 CO 0.11 -0.35 0.19 -1.20 -1.33 0.00 0.00 177.39 174.81 2g0l n SER 14 N -2.39 2.04 -4.86 -1.43 7.64 -1.26 -1.30 113.62 112.06 2g0l n SER 14 Ca 0.00 -2.39 -0.31 0.00 1.01 0.00 0.00 58.87 57.18 2g0l n SER 14 Cb 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2g0l n SER 14 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2g0l s ASP 15 N -3.82 6.57 0.00 6.43 -4.77 -1.26 -3.80 116.67 116.02 2g0l s ASP 15 Ca 0.39 1.40 0.00 0.00 -3.30 0.00 0.00 52.55 51.04 2g0l s ASP 15 Cb -0.03 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2g0l s ASP 15 CO 0.25 -0.52 0.00 0.61 0.70 0.00 0.00 175.17 176.21 2g0l n GLY 16 N -1.50 0.67 3.77 2.12 0.00 0.13 -5.01 105.19 105.37 2g0l n GLY 16 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2g0l n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 17 N -2.41 3.49 -0.39 2.61 2.01 -1.25 -4.76 115.64 114.93 2g0l s THR 17 Ca 0.00 1.27 -0.25 0.00 0.31 0.00 0.00 61.69 63.02 2g0l s THR 17 Cb 0.00 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2g0l s THR 17 CO 0.00 0.14 0.91 -0.69 -0.69 0.00 0.00 174.62 174.29 2g0l s VAL 18 N -1.44 4.57 -0.30 3.82 1.01 -1.26 -2.56 120.40 124.25 2g0l s VAL 18 Ca 0.53 1.04 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 2g0l s VAL 18 Cb -0.28 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 2g0l s VAL 18 CO 0.35 -0.60 0.67 -0.69 0.00 0.00 0.00 175.10 174.82 2g0l s VAL 19 N 3.51 4.91 -0.35 2.92 1.01 0.19 -4.88 120.40 127.70 2g0l s VAL 19 Ca 0.37 0.99 -0.23 0.00 0.00 0.00 0.00 61.98 63.11 2g0l s VAL 19 Cb -0.12 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2g0l s VAL 19 CO 0.21 -0.14 0.76 -0.75 0.00 0.00 0.00 175.10 175.18 2g0l s LYS 20 N 2.68 3.79 -0.30 2.72 2.20 -1.25 -0.78 119.74 128.80 2g0l s LYS 20 Ca 0.27 0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 56.19 2g0l s LYS 20 Cb -0.15 -3.79 0.05 0.00 -1.51 0.00 0.00 37.83 32.43 2g0l s LYS 20 CO 0.11 -0.79 0.02 0.08 -0.36 0.00 0.00 175.35 174.41 2g0l s VAL 21 N 3.01 3.14 -0.18 4.02 1.01 0.00 -0.35 120.40 131.05 2g0l s VAL 21 Ca 0.31 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 2g0l s VAL 21 Cb -0.14 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.50 2g0l s VAL 21 CO 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 175.10 175.09 2g0l s ALA 22 N 1.29 1.64 -0.05 5.51 0.00 -0.75 -0.59 121.76 128.82 2g0l s ALA 22 Ca -0.04 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2g0l s ALA 22 Cb -0.20 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2g0l s ALA 22 CO -0.00 -0.84 -0.19 0.20 0.00 0.00 0.00 175.76 174.93 2g0l s GLY 23 N 1.56 1.42 0.06 0.00 0.00 0.31 -0.98 107.32 109.69 2g0l s GLY 23 Ca -0.00 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.76 2g0l s GLY 23 CO -0.08 -0.71 -0.18 0.00 0.00 0.00 0.00 173.10 172.13 2g0l s ALA 24 N -0.46 1.50 0.00 3.20 0.00 -0.06 0.02 121.76 125.95 2g0l s ALA 24 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2g0l s ALA 24 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2g0l s ALA 24 CO 0.01 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2g0l n GLY 25 N 1.61 0.87 2.02 0.00 0.00 0.02 -0.95 105.19 108.77 2g0l n GLY 25 Ca -0.19 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 2g0l n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0l n LEU 26 N 0.00 0.00 -4.58 0.99 4.77 0.10 -4.81 117.00 113.47 2g0l n LEU 26 Ca 0.00 -1.03 -0.40 0.00 -0.03 0.00 0.00 56.01 54.55 2g0l n LEU 26 Cb 0.08 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.71 2g0l n LEU 26 CO 0.00 -0.80 0.11 -1.58 -1.33 0.00 0.00 177.39 173.78 2g0l s GLN 27 N -3.95 3.82 0.28 3.23 2.00 -1.26 -4.65 119.66 119.14 2g0l s GLN 27 Ca 0.36 -0.09 -0.30 0.00 -2.00 0.00 0.00 55.36 53.32 2g0l s GLN 27 Cb -0.02 -3.73 -0.11 0.00 0.80 0.00 0.00 33.01 29.96 2g0l s GLN 27 CO 0.24 -0.42 1.52 0.00 -0.50 0.00 0.00 175.29 176.12 2g0l s ALA 28 N 2.15 3.68 0.00 1.58 0.00 -1.26 -2.30 121.76 125.60 2g0l s ALA 28 Ca 0.15 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2g0l s ALA 28 Cb -0.16 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2g0l s ALA 28 CO 0.11 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2g0l n GLY 29 N 2.00 0.69 3.61 0.00 0.00 -1.13 -5.00 105.19 105.36 2g0l n GLY 29 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2g0l n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 30 N -2.09 4.03 -0.19 2.61 2.01 -0.97 -4.95 115.64 116.09 2g0l s THR 30 Ca 0.00 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 2g0l s THR 30 Cb 0.00 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2g0l s THR 30 CO 0.00 0.58 0.37 0.00 -0.69 0.00 0.00 174.62 174.88 2g0l s ALA 31 N -0.60 3.56 -0.22 7.40 0.00 -1.26 -1.92 121.76 128.73 2g0l s ALA 31 Ca 0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 2g0l s ALA 31 Cb -0.12 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2g0l s ALA 31 CO 0.02 -0.21 -0.03 0.71 0.00 0.00 0.00 175.76 176.25 2g0l s TYR 32 N 1.12 2.97 -0.33 0.00 2.02 0.13 -3.01 117.35 120.25 2g0l s TYR 32 Ca 0.18 -0.80 -0.22 0.00 -0.37 0.00 0.00 57.07 55.86 2g0l s TYR 32 Cb -0.14 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 2g0l s TYR 32 CO 0.07 -0.47 0.74 -0.51 -1.57 0.00 0.00 175.55 173.82 2g0l s ASP 33 N 1.36 6.56 -0.18 2.29 1.11 0.11 -1.29 116.67 126.63 2g0l s ASP 33 Ca 0.04 0.45 0.01 0.00 0.18 0.00 0.00 52.55 53.23 2g0l s ASP 33 Cb -0.14 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.49 2g0l s ASP 33 CO -0.01 -0.63 -0.18 -0.69 1.18 0.00 0.00 175.17 174.84 2g0l s VAL 34 N 2.91 1.93 0.28 -1.27 1.01 -1.15 -2.14 120.40 121.97 2g0l s VAL 34 Ca 0.30 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2g0l s VAL 34 Cb -0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 2g0l s VAL 34 CO 0.14 0.48 0.41 -0.83 0.00 0.00 0.00 175.10 175.30 2g0l s GLY 35 N 1.33 1.12 -0.19 4.51 0.00 -0.48 -2.65 107.32 110.96 2g0l s GLY 35 Ca 0.04 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.20 2g0l s GLY 35 CO -0.12 -0.94 0.82 -0.86 0.00 0.00 0.00 173.10 172.00 2g0l s GLN 36 N -3.64 4.26 0.25 2.90 -2.07 -1.26 -0.59 119.66 119.50 2g0l s GLN 36 Ca 0.29 0.97 0.09 0.00 -1.82 0.00 0.00 55.36 54.89 2g0l s GLN 36 Cb 0.01 -3.60 -0.05 0.00 -1.09 0.00 0.00 33.01 28.28 2g0l s GLN 36 CO 0.14 -0.38 -0.14 0.00 -1.32 0.00 0.00 175.29 173.59 2g0l s ALA 38 N -2.82 -0.64 -0.65 0.00 0.00 -0.90 0.06 121.76 116.80 2g0l s ALA 38 Ca 0.27 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 2g0l s ALA 38 Cb -0.01 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2g0l s ALA 38 CO 0.11 -0.97 1.84 -1.58 0.00 0.00 0.00 175.76 175.16 2g0l s TRP 39 N -2.80 1.71 -0.58 0.00 0.52 -1.26 -2.14 118.94 114.39 2g0l s TRP 39 Ca 0.17 0.71 0.24 0.00 0.02 0.00 0.00 56.10 57.25 2g0l s TRP 39 Cb -0.05 -4.12 0.49 0.00 -1.15 0.00 0.00 33.47 28.65 2g0l s TRP 39 CO 0.11 -2.23 1.55 -0.24 0.02 0.00 0.00 176.95 176.16 2g0l h VAL 40 N 6.88 0.00 -3.08 4.03 3.04 -1.31 -3.48 116.25 122.34 2g0l h VAL 40 Ca -0.22 -0.68 -0.01 0.00 -1.01 0.00 0.00 66.70 64.78 2g0l h VAL 40 Cb 1.14 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 2g0l h VAL 40 CO 1.22 0.00 0.23 -0.62 -1.01 0.00 0.00 177.57 177.39 2g0l s ASP 41 N -5.01 -0.02 -0.90 3.17 -1.08 -0.83 -4.86 116.67 107.13 2g0l s ASP 41 Ca 0.07 -1.02 -0.24 0.00 -0.52 0.00 0.00 52.55 50.84 2g0l s ASP 41 Cb 0.10 0.80 -0.03 0.00 -1.46 0.00 0.00 42.92 42.34 2g0l s ASP 41 CO 0.67 -1.57 1.85 -0.89 0.52 0.00 0.00 175.17 175.75 2g0l s THR 42 N -2.82 3.53 0.00 1.71 2.01 -1.26 -2.06 115.64 116.75 2g0l s THR 42 Ca 0.15 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.76 2g0l s THR 42 Cb -0.05 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2g0l s THR 42 CO 0.11 -1.13 0.00 0.61 -0.69 0.00 0.00 174.62 173.52 2g0l n GLY 43 N 6.78 0.62 3.32 4.40 0.00 -1.26 -5.07 105.19 113.98 2g0l n GLY 43 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 2g0l n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0l s VAL 44 N -2.00 2.48 0.17 1.61 1.01 -0.87 -5.09 120.40 117.71 2g0l s VAL 44 Ca 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.18 2g0l s VAL 44 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2g0l s VAL 44 CO 0.00 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 2g0l s LEU 45 N -0.01 2.64 -0.11 3.92 1.02 -1.26 -0.85 118.68 124.04 2g0l s LEU 45 Ca -0.06 -0.71 -0.19 0.00 0.02 0.00 0.00 54.13 53.18 2g0l s LEU 45 Cb -0.15 -1.40 0.05 0.00 0.02 0.00 0.00 46.19 44.71 2g0l s LEU 45 CO 0.05 0.13 0.48 0.00 0.02 0.00 0.00 176.35 177.03 2g0l s ALA 46 N -1.54 -1.20 0.33 4.21 0.00 -0.91 -4.80 121.76 117.85 2g0l s ALA 46 Ca 0.21 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.32 2g0l s ALA 46 Cb -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2g0l s ALA 46 CO 0.11 -0.27 0.13 0.00 0.00 0.00 0.00 175.76 175.74 2g0l s ASN 48 N -3.83 6.58 0.00 0.00 3.84 -0.78 -0.15 114.94 120.60 2g0l s ASN 48 Ca 0.37 0.71 0.29 0.00 0.21 0.00 0.00 52.86 54.44 2g0l s ASN 48 Cb -0.03 -2.33 1.39 0.00 -0.55 0.00 0.00 41.25 39.74 2g0l s ASN 48 CO 0.22 -0.33 1.93 -0.81 -2.79 0.00 0.00 177.10 175.33 2g0l n PRO 49 N 5.49 1.36 -0.10 0.43 -0.04 -1.26 -3.68 135.00 137.19 2g0l n PRO 49 Ca -0.01 -0.52 -0.20 0.00 -0.04 0.00 0.00 63.50 62.73 2g0l n PRO 49 Cb 0.49 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2g0l n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0l n ALA 50 N -0.36 0.75 -0.99 0.55 0.00 -1.26 -4.27 120.51 114.93 2g0l n ALA 50 Ca 0.21 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 2g0l n ALA 50 Cb 0.24 -0.48 0.12 0.00 0.00 0.00 0.00 19.45 19.32 2g0l n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2g0l n ASP 51 N -4.45 5.07 -4.66 0.00 -0.08 -1.26 -4.93 116.55 106.25 2g0l n ASP 51 Ca -0.30 -3.43 -0.23 0.00 -1.51 0.00 0.00 54.79 49.32 2g0l n ASP 51 Cb 0.64 -0.87 -0.07 0.00 2.34 0.00 0.00 41.12 43.16 2g0l n ASP 51 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2g0l s PHE 52 N -2.93 2.75 -0.05 -0.67 -0.71 -1.24 -4.27 117.98 110.87 2g0l s PHE 52 Ca 0.50 -0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.21 2g0l s PHE 52 Cb 0.41 -1.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.00 2g0l s PHE 52 CO 0.05 0.59 -0.07 -1.12 -1.34 0.00 0.00 175.22 173.33 2g0l s SER 53 N -3.57 1.22 -0.72 1.98 0.01 -1.08 -5.03 113.70 106.50 2g0l s SER 53 Ca 0.31 -0.19 -0.21 0.00 1.31 0.00 0.00 55.95 57.17 2g0l s SER 53 Cb -0.07 -0.56 0.09 0.00 0.21 0.00 0.00 66.02 65.69 2g0l s SER 53 CO 0.20 -0.01 0.99 -0.94 0.41 0.00 0.00 173.24 173.88 2g0l s SER 54 N 0.74 6.27 0.15 2.44 1.04 -1.26 -2.95 113.70 120.14 2g0l s SER 54 Ca -0.12 -1.26 -0.25 0.00 0.48 0.00 0.00 55.95 54.81 2g0l s SER 54 Cb -0.14 -2.41 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 2g0l s SER 54 CO 0.01 -1.34 0.76 0.54 0.98 0.00 0.00 173.24 174.20 2g0l s VAL 55 N 3.68 4.41 -0.01 5.02 0.11 -0.41 -4.83 120.40 128.36 2g0l s VAL 55 Ca 0.24 1.67 0.03 0.00 -2.93 0.00 0.00 61.98 60.99 2g0l s VAL 55 Cb -0.15 -4.12 -0.03 0.00 -1.53 0.00 0.00 36.38 30.55 2g0l s VAL 55 CO 0.05 0.52 -0.07 0.28 -3.33 0.00 0.00 175.10 172.55 2g0l s THR 56 N -1.08 3.60 0.12 5.04 -1.32 -1.26 0.20 115.64 120.93 2g0l s THR 56 Ca 0.35 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.80 2g0l s THR 56 Cb -0.23 -2.54 -0.07 0.00 -1.51 0.00 0.00 72.50 68.16 2g0l s THR 56 CO 0.26 0.44 1.13 0.00 -2.21 0.00 0.00 174.62 174.24 2g0l s ALA 57 N -0.95 3.36 0.96 11.08 0.00 -0.81 -4.59 121.76 130.81 2g0l s ALA 57 Ca 0.16 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 52.83 2g0l s ALA 57 Cb -0.11 -3.39 0.15 0.00 0.00 0.00 0.00 23.12 19.77 2g0l s ALA 57 CO 0.06 -0.31 0.88 -0.40 0.00 0.00 0.00 175.76 175.99 2g0l n ASP 58 N 3.09 0.17 0.22 0.00 5.68 0.59 -2.86 116.55 123.43 2g0l n ASP 58 Ca 0.05 -1.38 0.15 0.00 -0.50 0.00 0.00 54.79 53.11 2g0l n ASP 58 Cb 0.47 -0.66 0.71 0.00 -1.14 0.00 0.00 41.12 40.49 2g0l n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g0l h ALA 59 N -1.70 1.00 0.00 2.12 0.00 -1.96 -0.67 119.26 118.04 2g0l h ALA 59 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g0l h ALA 59 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2g0l h ALA 59 CO 0.21 0.00 -0.67 -0.91 0.00 0.00 0.00 179.25 177.88 2g0l h ASN 60 N 0.00 0.00 0.00 0.00 2.35 -1.98 -3.48 115.58 112.47 2g0l h ASN 60 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2g0l h ASN 60 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2g0l h ASN 60 CO 0.00 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 2g0l n GLY 61 N 1.33 1.24 3.53 2.83 0.00 -0.26 -4.65 105.19 109.21 2g0l n GLY 61 Ca 0.03 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2g0l n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2g0l s SER 62 N -2.40 3.99 -0.18 1.61 0.01 -1.26 0.02 113.70 115.48 2g0l s SER 62 Ca 0.00 -0.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.44 2g0l s SER 62 Cb 0.00 -0.55 0.09 0.00 0.21 0.00 0.00 66.02 65.77 2g0l s SER 62 CO 0.00 0.06 0.26 0.00 0.41 0.00 0.00 173.24 173.97 2g0l s ALA 63 N -2.09 -0.50 -0.09 1.44 0.00 0.10 -0.30 121.76 120.33 2g0l s ALA 63 Ca 0.27 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.87 2g0l s ALA 63 Cb -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2g0l s ALA 63 CO 0.15 -1.02 -0.22 -1.12 0.00 0.00 0.00 175.76 173.55 2g0l s SER 64 N 2.39 2.84 0.24 0.00 0.01 -1.26 -0.53 113.70 117.39 2g0l s SER 64 Ca 0.06 -0.50 -0.14 0.00 1.31 0.00 0.00 55.95 56.67 2g0l s SER 64 Cb -0.14 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.89 2g0l s SER 64 CO -0.11 0.15 0.50 0.28 0.41 0.00 0.00 173.24 174.47 2g0l s THR 65 N 0.30 0.01 -0.06 1.44 -1.32 0.25 -4.96 115.64 111.30 2g0l s THR 65 Ca -0.15 -1.26 0.04 0.00 -1.21 0.00 0.00 61.69 59.11 2g0l s THR 65 Cb -0.17 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2g0l s THR 65 CO 0.07 -0.04 -0.18 -0.44 -2.21 0.00 0.00 174.62 171.82 2g0l s SER 66 N -2.98 2.34 0.03 8.08 0.01 -1.26 -0.82 113.70 119.10 2g0l s SER 66 Ca 0.18 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.10 2g0l s SER 66 Cb -0.01 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 2g0l s SER 66 CO 0.06 0.13 -0.14 -0.76 0.41 0.00 0.00 173.24 172.94 2g0l s LEU 67 N 0.27 2.82 -0.48 2.44 2.01 0.04 -4.84 118.68 120.94 2g0l s LEU 67 Ca -0.10 -0.33 -0.10 0.00 0.01 0.00 0.00 54.13 53.61 2g0l s LEU 67 Cb -0.14 -1.64 0.12 0.00 0.01 0.00 0.00 46.19 44.54 2g0l s LEU 67 CO 0.04 0.26 0.37 -0.89 1.01 0.00 0.00 176.35 177.14 2g0l s THR 68 N -0.96 4.32 -0.23 5.49 2.01 -1.26 0.54 115.64 125.55 2g0l s THR 68 Ca 0.16 -1.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.09 2g0l s THR 68 Cb -0.11 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2g0l s THR 68 CO 0.06 -0.79 1.43 0.54 -0.69 0.00 0.00 174.62 175.18 2g0l s VAL 69 N 1.37 3.96 0.43 3.82 0.11 -1.06 -4.88 120.40 124.15 2g0l s VAL 69 Ca 0.06 1.11 0.01 0.00 -2.93 0.00 0.00 61.98 60.23 2g0l s VAL 69 Cb -0.26 -3.91 -0.01 0.00 -1.53 0.00 0.00 36.38 30.67 2g0l s VAL 69 CO -0.00 -0.32 0.64 -0.13 -3.33 0.00 0.00 175.10 171.96 2g0l s ARG 70 N 4.22 3.10 0.06 1.54 1.81 -1.26 0.20 118.95 128.62 2g0l s ARG 70 Ca 0.63 -0.53 -0.18 0.00 -1.72 0.00 0.00 55.73 53.93 2g0l s ARG 70 Cb -0.22 -2.59 -0.12 0.00 -0.45 0.00 0.00 34.95 31.57 2g0l s ARG 70 CO 0.24 -0.21 1.37 -0.09 -0.68 0.00 0.00 175.30 175.93 2g0l h ARG 71 N 0.47 0.49 -4.76 3.54 9.65 -1.95 -3.46 114.38 118.38 2g0l h ARG 71 Ca -0.46 -0.27 -0.33 0.00 -1.10 0.00 0.00 59.98 57.82 2g0l h ARG 71 Cb 1.25 0.01 -0.23 0.00 -1.39 0.00 0.00 29.97 29.61 2g0l h ARG 71 CO 0.57 0.85 -0.75 -1.12 2.80 0.00 0.00 179.97 182.32 2g0l s SER 72 N -6.31 1.07 0.16 -3.80 0.01 -1.26 -0.19 113.70 103.37 2g0l s SER 72 Ca -0.13 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.46 2g0l s SER 72 Cb 0.07 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.33 2g0l s SER 72 CO 0.79 -0.10 0.55 0.72 0.41 0.00 0.00 173.24 175.61 2g0l s PHE 73 N -1.04 -0.42 -0.14 2.43 -0.71 0.02 -5.00 117.98 113.12 2g0l s PHE 73 Ca -0.05 0.16 -0.27 0.00 -1.04 0.00 0.00 56.93 55.73 2g0l s PHE 73 Cb -0.08 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 2g0l s PHE 73 CO 0.01 -0.83 0.91 -1.21 -1.34 0.00 0.00 175.22 172.77 2g0l s GLU 74 N -3.78 4.35 -0.06 1.99 8.01 -1.26 0.09 118.70 128.04 2g0l s GLU 74 Ca 0.02 1.19 -0.22 0.00 0.01 0.00 0.00 54.97 55.97 2g0l s GLU 74 Cb -0.00 -3.56 -0.04 0.00 -4.31 0.00 0.00 34.13 26.22 2g0l s GLU 74 CO -0.12 -0.33 0.66 0.20 0.01 0.00 0.00 175.26 175.68 2g0l s GLY 75 N 1.12 2.59 0.04 -1.39 0.00 0.14 -3.82 107.32 106.00 2g0l s GLY 75 Ca 0.43 0.08 0.07 0.00 0.00 0.00 0.00 44.72 45.30 2g0l s GLY 75 CO 0.14 1.08 -0.20 -1.36 0.00 0.00 0.00 173.10 172.76 2g0l s PHE 76 N 0.65 1.73 1.02 1.90 0.40 0.79 -1.65 117.98 122.82 2g0l s PHE 76 Ca 0.35 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 2g0l s PHE 76 Cb -0.17 -1.03 0.20 0.00 0.51 0.00 0.00 43.02 42.52 2g0l s PHE 76 CO 0.17 0.08 1.15 -0.51 0.70 0.00 0.00 175.22 176.81 2g0l s LEU 77 N -1.12 1.66 0.14 -0.37 1.43 0.12 -2.03 118.68 118.50 2g0l s LEU 77 Ca 0.07 0.80 0.23 0.00 -1.03 0.00 0.00 54.13 54.20 2g0l s LEU 77 Cb -0.09 -2.89 0.90 0.00 0.03 0.00 0.00 46.19 44.15 2g0l s LEU 77 CO 0.02 -3.13 1.71 0.33 0.23 0.00 0.00 176.35 175.50 2g0l n PHE 78 N -4.13 0.50 0.29 0.29 -0.00 -1.26 -2.14 117.46 111.02 2g0l n PHE 78 Ca 0.09 0.17 0.12 0.00 -0.00 0.00 0.00 57.45 57.83 2g0l n PHE 78 Cb 0.59 -0.78 0.07 0.00 -0.00 0.00 0.00 39.48 39.36 2g0l n PHE 78 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 2g0l h ASP 79 N 0.00 0.00 0.00 -2.13 2.03 -1.96 -3.48 116.42 110.88 2g0l h ASP 79 Ca 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 2g0l h ASP 79 Cb 0.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2g0l h ASP 79 CO 0.00 0.05 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 2g0l n GLY 80 N 1.24 0.83 3.70 7.15 0.00 -0.91 -5.09 105.19 112.11 2g0l n GLY 80 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2g0l n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 81 N -2.00 4.99 0.27 2.61 2.01 -1.26 -4.75 115.64 117.51 2g0l s THR 81 Ca 0.00 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 2g0l s THR 81 Cb 0.00 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 2g0l s THR 81 CO 0.00 0.18 1.04 0.00 -0.69 0.00 0.00 174.62 175.15 2g0l s ARG 82 N 1.26 4.70 -0.15 4.92 1.70 -1.26 0.13 118.95 130.24 2g0l s ARG 82 Ca 0.38 1.68 0.04 0.00 -0.47 0.00 0.00 55.73 57.35 2g0l s ARG 82 Cb -0.17 -3.20 -0.12 0.00 -0.57 0.00 0.00 34.95 30.89 2g0l s ARG 82 CO 0.17 0.31 -0.10 1.87 -1.08 0.00 0.00 175.30 176.47 2g0l n TRP 83 N 1.25 0.00 0.00 5.89 -0.00 -0.66 -4.90 117.44 119.02 2g0l n TRP 83 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 2g0l n TRP 83 Cb 0.46 -0.63 0.00 0.00 -0.00 0.00 0.00 31.31 31.14 2g0l n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2g0l n GLY 84 N 2.61 -0.17 3.70 5.87 0.00 -1.21 -5.04 105.19 110.95 2g0l n GLY 84 Ca -0.27 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 2g0l n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 85 N -2.00 5.18 0.06 2.61 2.01 -1.26 0.24 115.64 122.48 2g0l s THR 85 Ca 0.00 0.88 0.03 0.00 0.31 0.00 0.00 61.69 62.91 2g0l s THR 85 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2g0l s THR 85 CO 0.00 0.29 0.03 -0.69 -0.69 0.00 0.00 174.62 173.56 2g0l s VAL 86 N 0.92 4.24 -0.08 3.82 1.01 0.11 -4.89 120.40 125.53 2g0l s VAL 86 Ca 0.24 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2g0l s VAL 86 Cb -0.15 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2g0l s VAL 86 CO 0.09 0.19 -0.18 -0.62 0.00 0.00 0.00 175.10 174.58 2g0l s ASP 87 N -2.14 2.42 -0.24 3.32 -1.08 -1.26 -0.80 116.67 116.89 2g0l s ASP 87 Ca 0.25 -0.43 0.14 0.00 -0.52 0.00 0.00 52.55 51.99 2g0l s ASP 87 Cb -0.12 -1.10 0.62 0.00 -1.46 0.00 0.00 42.92 40.87 2g0l s ASP 87 CO 0.17 0.10 1.57 0.00 0.52 0.00 0.00 175.17 177.54 2g0l h THR 89 N 2.22 1.43 -0.25 0.00 2.02 -1.96 -3.33 112.91 113.04 2g0l h THR 89 Ca 0.10 -2.58 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 2g0l h THR 89 Cb 1.78 3.14 -0.01 0.00 -1.74 0.00 0.00 68.15 71.32 2g0l h THR 89 CO 0.42 0.74 -0.00 1.07 0.37 0.00 0.00 175.52 178.12 2g0l n THR 90 N -4.00 2.29 -3.84 3.16 5.66 -1.26 -5.00 114.28 111.29 2g0l n THR 90 Ca -0.15 -1.99 -0.02 0.00 -3.05 0.00 0.00 64.05 58.84 2g0l n THR 90 Cb 0.91 -0.26 -0.01 0.00 -1.55 0.00 0.00 70.33 69.42 2g0l n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2g0l n ALA 91 N -0.64 0.02 -2.47 1.79 0.00 -1.25 -5.16 120.51 112.81 2g0l n ALA 91 Ca 0.22 -0.26 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 2g0l n ALA 91 Cb 0.89 0.21 -0.14 0.00 0.00 0.00 0.00 19.45 20.41 2g0l n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g0l s ALA 92 N -1.96 2.58 -0.02 0.00 0.00 -1.26 -4.72 121.76 116.38 2g0l s ALA 92 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2g0l s ALA 92 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2g0l s ALA 92 CO 0.04 0.54 0.07 0.00 0.00 0.00 0.00 175.76 176.41 2g0l s GLN 94 N -1.61 0.71 -0.28 0.00 -2.07 0.11 0.69 119.66 117.22 2g0l s GLN 94 Ca 0.21 -0.89 -0.25 0.00 -1.82 0.00 0.00 55.36 52.61 2g0l s GLN 94 Cb -0.12 -0.61 0.00 0.00 -1.09 0.00 0.00 33.01 31.19 2g0l s GLN 94 CO 0.12 0.13 0.85 0.08 -1.32 0.00 0.00 175.29 175.15 2g0l s VAL 95 N -1.38 4.77 -0.43 3.63 1.01 0.02 -0.05 120.40 127.97 2g0l s VAL 95 Ca -0.05 1.46 -0.14 0.00 0.00 0.00 0.00 61.98 63.25 2g0l s VAL 95 Cb -0.10 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.16 2g0l s VAL 95 CO 0.01 -0.20 0.32 -0.83 0.00 0.00 0.00 175.10 174.41 2g0l s GLY 96 N 1.48 2.01 -0.26 4.51 0.00 0.24 -3.28 107.32 112.02 2g0l s GLY 96 Ca 0.36 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 43.14 2g0l s GLY 96 CO 0.10 0.98 -0.10 0.48 0.00 0.00 0.00 173.10 174.56 2g0l s LEU 97 N 1.61 3.49 0.15 0.66 0.05 -1.26 -1.38 118.68 122.01 2g0l s LEU 97 Ca 0.04 -1.39 -0.14 0.00 0.05 0.00 0.00 54.13 52.69 2g0l s LEU 97 Cb -0.22 -1.56 0.02 0.00 -2.05 0.00 0.00 46.19 42.37 2g0l s LEU 97 CO 0.07 -0.20 0.38 -0.44 -0.55 0.00 0.00 176.35 175.62 2g0l s SER 98 N 1.11 -0.13 1.01 1.48 0.01 -0.91 -4.29 113.70 111.98 2g0l s SER 98 Ca -0.09 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 2g0l s SER 98 Cb -0.20 0.48 0.15 0.00 0.21 0.00 0.00 66.02 66.66 2g0l s SER 98 CO -0.05 -0.91 0.88 -0.90 0.41 0.00 0.00 173.24 172.68 2g0l n ASP 99 N -0.24 -0.01 -0.32 2.44 5.75 -0.67 0.08 116.55 123.57 2g0l n ASP 99 Ca -0.12 -1.30 0.09 0.00 -0.01 0.00 0.00 54.79 53.45 2g0l n ASP 99 Cb 0.63 -0.68 0.30 0.00 -1.03 0.00 0.00 41.12 40.34 2g0l n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0l h ALA 100 N -1.89 1.66 0.27 2.12 0.00 -1.90 -2.47 119.26 117.05 2g0l h ALA 100 Ca -0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2g0l h ALA 100 Cb 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2g0l h ALA 100 CO 0.20 0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.41 2g0l h ALA 101 N 1.57 -0.36 0.00 0.00 0.00 -1.92 -3.48 119.26 115.07 2g0l h ALA 101 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2g0l h ALA 101 Cb 0.61 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2g0l h ALA 101 CO -0.25 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 178.93 2g0l n GLY 102 N 0.03 0.63 3.57 0.00 0.00 -0.93 -5.10 105.19 103.38 2g0l n GLY 102 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 2g0l n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g0l s ASN 103 N -0.77 3.29 0.00 1.61 0.01 -1.26 -4.84 114.94 112.97 2g0l s ASN 103 Ca 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 52.86 50.71 2g0l s ASN 103 Cb 0.00 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.57 2g0l s ASN 103 CO 0.00 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 2g0l n GLY 104 N -0.90 0.82 3.69 0.66 0.00 -1.26 -1.67 105.19 106.53 2g0l n GLY 104 Ca -0.06 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 2g0l n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2g0l s PRO 105 N -1.64 1.16 0.44 1.61 0.02 -1.26 -5.00 135.00 130.33 2g0l s PRO 105 Ca 0.00 1.12 -0.22 0.00 0.02 0.00 0.00 61.00 61.93 2g0l s PRO 105 Cb 0.00 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.65 2g0l s PRO 105 CO 0.00 -2.40 1.00 -2.00 -0.33 0.00 0.00 177.00 173.27 2g0l s GLU 106 N -4.78 4.09 0.48 5.54 2.12 -1.26 -4.79 118.70 120.09 2g0l s GLU 106 Ca 0.64 1.29 -0.21 0.00 0.36 0.00 0.00 54.97 57.06 2g0l s GLU 106 Cb -0.20 -2.26 -0.09 0.00 0.26 0.00 0.00 34.13 31.85 2g0l s GLU 106 CO 0.58 -0.17 1.04 0.20 -0.54 0.00 0.00 175.26 176.36 2g0l s GLY 107 N -1.96 2.52 -0.17 -1.50 0.00 -1.26 -4.92 107.32 100.04 2g0l s GLY 107 Ca 0.62 0.61 -0.00 0.00 0.00 0.00 0.00 44.72 45.95 2g0l s GLY 107 CO 0.19 0.94 -0.14 0.14 0.00 0.00 0.00 173.10 174.23 2g0l s VAL 108 N -1.96 2.77 0.10 1.40 1.01 -1.20 -4.93 120.40 117.58 2g0l s VAL 108 Ca 0.66 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 2g0l s VAL 108 Cb -0.17 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 2g0l s VAL 108 CO 0.20 0.50 0.66 0.00 0.00 0.00 0.00 175.10 176.47 2g0l s ALA 109 N 0.93 3.51 0.19 5.51 0.00 -1.26 -0.80 121.76 129.85 2g0l s ALA 109 Ca -0.03 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.15 2g0l s ALA 109 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 2g0l s ALA 109 CO -0.02 0.31 -0.05 0.96 0.00 0.00 0.00 175.76 176.96 2g0l s ILE 110 N -0.93 1.11 0.00 0.00 -4.36 0.22 -4.96 121.20 112.28 2g0l s ILE 110 Ca 0.32 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.61 2g0l s ILE 110 Cb -0.21 -2.11 -0.00 0.00 1.25 0.00 0.00 42.46 41.39 2g0l s ILE 110 CO 0.22 -0.52 0.10 -0.44 0.24 0.00 0.00 174.94 174.53 2g0l s SER 111 N -3.24 0.06 0.57 4.36 0.01 -1.26 -2.11 113.70 112.08 2g0l s SER 111 Ca 0.23 -0.23 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 2g0l s SER 111 Cb 0.04 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2g0l s SER 111 CO 0.05 -0.32 0.95 -0.36 0.41 0.00 0.00 173.24 173.97 2g0l s PHE 112 N -1.25 3.60 -2.29 2.43 0.08 -1.26 -1.65 117.98 117.64 2g0l s PHE 112 Ca -0.13 1.15 0.30 0.00 0.12 0.00 0.00 56.93 58.36 2g0l s PHE 112 Cb -0.07 -2.59 1.41 0.00 -0.57 0.00 0.00 43.02 41.20 2g0l s PHE 112 CO 0.01 -0.54 1.95 0.27 -0.10 0.00 0.00 175.22 176.81