#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0k s ALA 2 N 0.00 -0.22 1.09 0.00 0.00 -1.26 -4.48 121.76 116.88 2g0k s ALA 2 Ca 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 2g0k s ALA 2 Cb 0.00 -0.86 0.13 0.00 0.00 0.00 0.00 23.12 22.39 2g0k s ALA 2 CO 0.00 -0.58 0.53 -0.35 0.00 0.00 0.00 175.76 175.35 2g0k n PRO 3 N 5.33 -1.64 -3.55 0.00 -0.04 -1.26 -3.83 135.00 130.01 2g0k n PRO 3 Ca -0.05 -0.83 -0.40 0.00 -0.04 0.00 0.00 63.50 62.18 2g0k n PRO 3 Cb 0.50 -0.71 -0.11 0.00 -0.04 0.00 0.00 33.50 33.14 2g0k n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2g0k s THR 4 N -2.01 5.14 0.24 0.52 -1.32 0.14 -2.19 115.64 116.16 2g0k s THR 4 Ca 0.33 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 2g0k s THR 4 Cb -0.03 -3.64 -0.05 0.00 -1.51 0.00 0.00 72.50 67.27 2g0k s THR 4 CO 0.25 -0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.63 2g0k s ALA 5 N 1.70 1.94 -0.12 11.08 0.00 -1.24 0.77 121.76 135.88 2g0k s ALA 5 Ca 0.06 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.23 2g0k s ALA 5 Cb -0.17 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2g0k s ALA 5 CO 0.10 -0.20 -0.13 0.95 0.00 0.00 0.00 175.76 176.48 2g0k s THR 6 N -3.31 1.41 0.06 0.00 -4.23 0.50 -4.89 115.64 105.18 2g0k s THR 6 Ca 0.28 -0.56 0.09 0.00 -1.18 0.00 0.00 61.69 60.33 2g0k s THR 6 Cb 0.05 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 2g0k s THR 6 CO 0.09 0.43 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.67 2g0k s VAL 7 N 1.33 2.38 0.84 2.29 1.01 -1.24 -0.97 120.40 126.05 2g0k s VAL 7 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 2g0k s VAL 7 Cb -0.14 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.36 2g0k s VAL 7 CO -0.07 0.30 1.09 0.28 0.00 0.00 0.00 175.10 176.70 2g0k s THR 8 N -0.90 2.97 -0.15 3.92 -1.32 -0.63 -4.89 115.64 114.65 2g0k s THR 8 Ca 0.13 0.32 -0.29 0.00 -1.21 0.00 0.00 61.69 60.63 2g0k s THR 8 Cb -0.10 -2.83 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 2g0k s THR 8 CO 0.04 -0.41 1.41 -2.16 -2.21 0.00 0.00 174.62 171.29 2g0k s PRO 9 N -4.94 4.16 -0.03 7.08 0.04 -1.26 -4.68 135.00 135.37 2g0k s PRO 9 Ca 0.62 1.79 0.05 0.00 0.04 0.00 0.00 61.00 63.50 2g0k s PRO 9 Cb -0.17 -3.86 0.08 0.00 0.04 0.00 0.00 34.50 30.58 2g0k s PRO 9 CO 0.56 -0.82 0.94 0.45 0.04 0.00 0.00 177.00 178.17 2g0k n SER 10 N 6.98 1.40 -4.50 6.66 2.88 -1.26 -4.94 113.62 120.83 2g0k n SER 10 Ca 0.15 -2.08 -0.43 0.00 -1.33 0.00 0.00 58.87 55.18 2g0k n SER 10 Cb 0.44 -0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 11 N -1.29 6.30 0.00 -3.46 1.04 -1.19 -3.55 113.70 111.56 2g0k s SER 11 Ca 0.08 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2g0k s SER 11 Cb 0.07 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2g0k s SER 11 CO 0.01 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2g0k n GLY 12 N 5.13 1.17 3.59 7.32 0.00 -1.22 -4.32 105.19 116.86 2g0k n GLY 12 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2g0k n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 13 N 0.00 3.23 0.68 0.99 1.43 -1.23 -4.65 118.68 119.13 2g0k s LEU 13 Ca 0.00 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 2g0k s LEU 13 Cb 0.00 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.56 2g0k s LEU 13 CO 0.00 0.36 0.98 -0.44 0.23 0.00 0.00 176.35 177.48 2g0k s SER 14 N -0.77 4.96 0.64 2.29 0.01 -1.26 -4.92 113.70 114.65 2g0k s SER 14 Ca 0.12 0.47 -0.17 0.00 1.31 0.00 0.00 55.95 57.67 2g0k s SER 14 Cb -0.11 -1.18 -0.11 0.00 0.21 0.00 0.00 66.02 64.82 2g0k s SER 14 CO 0.02 -1.49 0.06 -0.90 0.41 0.00 0.00 173.24 171.34 2g0k n ASP 15 N -2.84 -2.90 0.00 2.44 5.75 -1.26 -2.48 116.55 115.26 2g0k n ASP 15 Ca 0.07 0.59 0.00 0.00 -0.01 0.00 0.00 54.79 55.45 2g0k n ASP 15 Cb 0.60 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g0k n GLY 16 N 2.30 3.34 3.77 6.12 0.00 -1.26 -5.04 105.19 114.41 2g0k n GLY 16 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2g0k n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 17 N -2.83 2.44 -0.28 2.61 2.01 -1.03 -4.97 115.64 113.58 2g0k s THR 17 Ca 0.00 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2g0k s THR 17 Cb 0.00 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.29 2g0k s THR 17 CO 0.00 0.09 -0.05 0.68 -0.69 0.00 0.00 174.62 174.65 2g0k s VAL 18 N -1.16 2.65 -0.29 3.82 -7.23 -1.26 -3.15 120.40 113.78 2g0k s VAL 18 Ca 0.52 -1.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 2g0k s VAL 18 Cb -0.42 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 2g0k s VAL 18 CO 0.56 -0.02 0.49 0.68 -0.31 0.00 0.00 175.10 176.50 2g0k s VAL 19 N 1.21 5.07 0.38 1.32 -7.23 -0.77 -4.91 120.40 115.47 2g0k s VAL 19 Ca -0.06 0.68 -0.24 0.00 -1.81 0.00 0.00 61.98 60.55 2g0k s VAL 19 Cb -0.19 -3.84 -0.10 0.00 0.56 0.00 0.00 36.38 32.81 2g0k s VAL 19 CO -0.03 0.01 1.00 -0.75 -0.31 0.00 0.00 175.10 175.02 2g0k s LYS 20 N 2.30 4.29 -0.19 4.82 2.36 -1.26 -1.32 119.74 130.74 2g0k s LYS 20 Ca 0.19 1.38 -0.03 0.00 -2.55 0.00 0.00 55.97 54.96 2g0k s LYS 20 Cb -0.16 -2.54 0.06 0.00 -1.05 0.00 0.00 37.83 34.14 2g0k s LYS 20 CO 0.10 0.00 0.04 0.14 1.55 0.00 0.00 175.35 177.19 2g0k s VAL 21 N -1.75 0.45 -0.21 4.02 -7.23 -0.84 -1.61 120.40 113.23 2g0k s VAL 21 Ca 0.57 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2g0k s VAL 21 Cb -0.18 -0.96 0.04 0.00 0.56 0.00 0.00 36.38 35.84 2g0k s VAL 21 CO 0.23 -0.20 -0.14 0.00 -0.31 0.00 0.00 175.10 174.69 2g0k s ALA 22 N 1.89 2.28 0.21 1.32 0.00 -0.14 -2.37 121.76 124.95 2g0k s ALA 22 Ca -0.00 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 2g0k s ALA 22 Cb -0.17 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.53 2g0k s ALA 22 CO -0.08 -0.78 0.74 0.20 0.00 0.00 0.00 175.76 175.84 2g0k s GLY 23 N 1.27 2.69 -0.18 0.00 0.00 -1.03 0.19 107.32 110.26 2g0k s GLY 23 Ca -0.02 0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 2g0k s GLY 23 CO -0.09 0.62 0.06 0.00 0.00 0.00 0.00 173.10 173.68 2g0k s ALA 24 N -1.43 0.76 0.00 3.20 0.00 4.03 -3.03 121.76 125.28 2g0k s ALA 24 Ca 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2g0k s ALA 24 Cb -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2g0k s ALA 24 CO 0.22 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.24 2g0k n GLY 25 N 5.15 1.42 2.01 0.00 0.00 -1.26 0.24 105.19 112.75 2g0k n GLY 25 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2g0k n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0k n LEU 26 N 0.00 0.00 -4.68 0.99 4.77 -1.10 -4.69 117.00 112.28 2g0k n LEU 26 Ca 0.00 -0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 2g0k n LEU 26 Cb 0.00 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2g0k n LEU 26 CO 0.00 -0.83 1.01 -1.10 -1.33 0.00 0.00 177.39 175.15 2g0k s GLN 27 N -4.01 4.32 0.04 3.23 -0.21 -1.26 -4.69 119.66 117.07 2g0k s GLN 27 Ca 0.36 1.75 -0.30 0.00 0.02 0.00 0.00 55.36 57.18 2g0k s GLN 27 Cb -0.02 -3.59 -0.06 0.00 1.00 0.00 0.00 33.01 30.34 2g0k s GLN 27 CO 0.24 -0.51 1.29 0.00 -2.12 0.00 0.00 175.29 174.19 2g0k s ALA 28 N 2.44 3.50 0.00 6.09 0.00 -1.26 -2.18 121.76 130.35 2g0k s ALA 28 Ca 0.58 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2g0k s ALA 28 Cb -0.26 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2g0k s ALA 28 CO 0.22 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2g0k n GLY 29 N 3.40 0.49 3.78 0.00 0.00 -1.12 -4.96 105.19 106.79 2g0k n GLY 29 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2g0k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 30 N -2.10 5.31 0.37 2.61 2.01 -0.93 -4.86 115.64 118.06 2g0k s THR 30 Ca 0.00 0.50 -0.13 0.00 0.31 0.00 0.00 61.69 62.36 2g0k s THR 30 Cb 0.00 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 2g0k s THR 30 CO 0.00 0.48 0.77 0.00 -0.69 0.00 0.00 174.62 175.18 2g0k s ALA 31 N -0.19 3.31 0.07 7.40 0.00 -1.26 -2.09 121.76 129.00 2g0k s ALA 31 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2g0k s ALA 31 Cb -0.13 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2g0k s ALA 31 CO 0.05 0.16 -0.06 0.71 0.00 0.00 0.00 175.76 176.62 2g0k s TYR 32 N -2.18 0.70 -0.25 0.00 2.02 -0.54 -4.21 117.35 112.88 2g0k s TYR 32 Ca 0.53 -0.79 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2g0k s TYR 32 Cb -0.10 -0.43 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 2g0k s TYR 32 CO 0.24 -0.18 -0.05 0.34 -1.57 0.00 0.00 175.55 174.33 2g0k s ASP 33 N -2.45 4.38 -0.04 2.29 2.15 1.67 -3.11 116.67 121.56 2g0k s ASP 33 Ca 0.02 -0.85 -0.06 0.00 0.43 0.00 0.00 52.55 52.09 2g0k s ASP 33 Cb -0.00 -1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 40.89 2g0k s ASP 33 CO -0.04 -0.13 0.21 -0.69 -0.17 0.00 0.00 175.17 174.35 2g0k s VAL 34 N 1.34 5.39 0.02 1.11 1.01 -0.96 0.90 120.40 129.21 2g0k s VAL 34 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 2g0k s VAL 34 Cb -0.17 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 32.80 2g0k s VAL 34 CO -0.04 0.46 0.98 -0.83 0.00 0.00 0.00 175.10 175.67 2g0k s GLY 35 N -1.49 -0.38 -0.30 4.51 0.00 2.37 -0.74 107.32 111.29 2g0k s GLY 35 Ca 0.23 0.81 -0.08 0.00 0.00 0.00 0.00 44.72 45.68 2g0k s GLY 35 CO 0.12 0.25 0.11 1.62 0.00 0.00 0.00 173.10 175.20 2g0k s GLN 36 N -3.02 3.24 0.39 2.90 0.74 -1.26 -0.03 119.66 122.62 2g0k s GLN 36 Ca 0.08 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 54.80 2g0k s GLN 36 Cb -0.01 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 2g0k s GLN 36 CO -0.05 -0.41 0.32 0.00 -0.55 0.00 0.00 175.29 174.60 2g0k s ALA 38 N -2.43 -1.29 0.02 0.00 0.00 0.46 -2.13 121.76 116.40 2g0k s ALA 38 Ca 0.45 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.84 2g0k s ALA 38 Cb -0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 2g0k s ALA 38 CO 0.27 -0.46 1.67 -0.46 0.00 0.00 0.00 175.76 176.78 2g0k s TRP 39 N 1.86 2.18 -0.21 0.00 -0.00 -1.25 -0.86 118.94 120.65 2g0k s TRP 39 Ca -0.07 0.22 -0.03 0.00 -0.00 0.00 0.00 56.10 56.22 2g0k s TRP 39 Cb -0.09 -3.96 -0.12 0.00 -0.00 0.00 0.00 33.47 29.30 2g0k s TRP 39 CO -0.14 -3.96 -0.22 1.33 -0.00 0.00 0.00 176.95 173.96 2g0k n VAL 40 N 5.06 1.21 -4.17 5.86 0.24 -0.08 -4.84 118.33 121.61 2g0k n VAL 40 Ca 0.17 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 2g0k n VAL 40 Cb 0.41 -1.43 -0.09 0.00 -1.47 0.00 0.00 33.84 31.26 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2g0k s ASP 41 N -6.37 0.39 -0.21 -1.34 2.15 0.30 -5.00 116.67 106.58 2g0k s ASP 41 Ca -0.29 -1.38 -0.31 0.00 0.43 0.00 0.00 52.55 51.00 2g0k s ASP 41 Cb 0.09 0.46 -0.08 0.00 -0.30 0.00 0.00 42.92 43.09 2g0k s ASP 41 CO 0.45 -0.95 2.14 0.41 -0.17 0.00 0.00 175.17 177.05 2g0k n THR 42 N -0.36 0.38 -0.89 1.71 -1.04 -1.26 0.37 114.28 113.19 2g0k n THR 42 Ca 0.02 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2g0k n THR 42 Cb 0.64 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g0k n GLY 43 N 5.65 0.40 3.08 3.41 0.00 -1.26 -4.95 105.19 111.52 2g0k n GLY 43 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 2g0k n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0k s VAL 44 N -2.07 2.41 0.31 1.61 1.01 0.16 -5.10 120.40 118.73 2g0k s VAL 44 Ca 0.00 -1.78 0.10 0.00 0.00 0.00 0.00 61.98 60.29 2g0k s VAL 44 Cb 0.00 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2g0k s VAL 44 CO 0.00 -0.22 -0.06 -1.48 0.00 0.00 0.00 175.10 173.34 2g0k s LEU 45 N 1.08 2.89 0.06 3.92 0.05 -1.26 0.11 118.68 125.52 2g0k s LEU 45 Ca -0.03 -0.97 0.07 0.00 0.05 0.00 0.00 54.13 53.25 2g0k s LEU 45 Cb -0.20 -1.30 -0.03 0.00 -2.05 0.00 0.00 46.19 42.61 2g0k s LEU 45 CO -0.05 -0.12 -0.20 0.00 -0.55 0.00 0.00 176.35 175.43 2g0k s ALA 46 N -2.50 1.71 0.15 1.48 0.00 -0.04 -3.22 121.76 119.35 2g0k s ALA 46 Ca 0.33 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.30 2g0k s ALA 46 Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2g0k s ALA 46 CO 0.18 0.37 -0.14 0.00 0.00 0.00 0.00 175.76 176.17 2g0k s ASN 48 N -2.50 5.13 0.00 0.00 2.47 -0.92 0.20 114.94 119.31 2g0k s ASN 48 Ca 0.22 -1.45 0.20 0.00 0.42 0.00 0.00 52.86 52.25 2g0k s ASN 48 Cb -0.10 -1.79 1.18 0.00 -1.45 0.00 0.00 41.25 39.09 2g0k s ASN 48 CO 0.13 -0.36 1.58 -0.81 -3.72 0.00 0.00 177.10 173.91 2g0k n PRO 49 N 4.68 0.60 0.02 0.43 -0.04 -1.26 -2.05 135.00 137.38 2g0k n PRO 49 Ca -0.10 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2g0k n PRO 49 Cb 0.43 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.02 3.30 -1.87 0.55 0.00 -1.26 -3.93 120.51 116.29 2g0k n ALA 50 Ca 0.15 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.31 2g0k n ALA 50 Cb 0.07 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 18.47 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2g0k n ASP 51 N -1.74 1.12 -4.58 0.00 9.92 -0.87 -5.04 116.55 115.36 2g0k n ASP 51 Ca 0.04 -2.61 -0.40 0.00 -0.53 0.00 0.00 54.79 51.30 2g0k n ASP 51 Cb 0.38 -0.34 -0.09 0.00 -0.64 0.00 0.00 41.12 40.43 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2g0k s PHE 52 N -1.25 3.22 0.10 1.24 -0.12 -1.18 -4.07 117.98 115.93 2g0k s PHE 52 Ca 0.24 0.27 0.01 0.00 -0.05 0.00 0.00 56.93 57.40 2g0k s PHE 52 Cb 0.24 -2.67 0.01 0.00 -0.63 0.00 0.00 43.02 39.97 2g0k s PHE 52 CO -0.06 -0.34 0.07 0.45 -0.05 0.00 0.00 175.22 175.29 2g0k n SER 53 N 5.43 1.39 -3.88 1.98 2.88 0.08 -4.96 113.62 116.54 2g0k n SER 53 Ca -0.08 -1.35 -0.10 0.00 -1.33 0.00 0.00 58.87 56.02 2g0k n SER 53 Cb 0.50 -0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2g0k n SER 53 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 54 N -1.58 0.11 -0.09 -3.46 1.04 -1.26 -2.45 113.70 106.01 2g0k s SER 54 Ca 0.05 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 2g0k s SER 54 Cb -0.00 0.28 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2g0k s SER 54 CO 0.03 -0.59 0.90 0.54 0.98 0.00 0.00 173.24 175.09 2g0k s VAL 55 N -2.99 0.00 -0.06 5.02 0.11 -1.18 -4.96 120.40 116.34 2g0k s VAL 55 Ca -0.02 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2g0k s VAL 55 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2g0k s VAL 55 CO -0.06 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.66 2g0k s THR 56 N -1.70 1.41 0.60 5.04 2.01 -1.26 -1.47 115.64 120.26 2g0k s THR 56 Ca -0.02 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 2g0k s THR 56 Cb -0.01 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2g0k s THR 56 CO 0.00 0.41 1.18 0.00 -0.69 0.00 0.00 174.62 175.52 2g0k s ALA 57 N 0.36 2.54 0.45 7.40 0.00 -0.89 -4.80 121.76 126.83 2g0k s ALA 57 Ca -0.11 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2g0k s ALA 57 Cb -0.14 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2g0k s ALA 57 CO 0.04 -1.14 0.00 -0.40 0.00 0.00 0.00 175.76 174.26 2g0k n ASP 58 N -1.69 0.00 0.27 0.00 5.68 -0.88 -2.79 116.55 117.14 2g0k n ASP 58 Ca 0.13 -0.91 0.10 0.00 -0.50 0.00 0.00 54.79 53.61 2g0k n ASP 58 Cb 0.50 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.20 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g0k h ALA 59 N -0.71 1.70 0.00 2.12 0.00 -1.93 0.19 119.26 120.64 2g0k h ALA 59 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2g0k h ALA 59 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2g0k h ALA 59 CO 0.00 0.06 0.00 -1.71 0.00 0.00 0.00 179.25 177.60 2g0k n ASN 60 N -4.17 0.09 0.00 0.00 5.15 -1.26 -4.85 115.26 110.23 2g0k n ASN 60 Ca -0.03 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 2g0k n ASN 60 Cb 0.13 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g0k n GLY 61 N 0.93 0.52 3.83 8.20 0.00 0.67 -4.79 105.19 114.55 2g0k n GLY 61 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2g0k n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g0k s SER 62 N -2.07 6.24 0.29 1.61 1.04 -1.26 -2.72 113.70 116.83 2g0k s SER 62 Ca 0.00 0.38 0.10 0.00 0.48 0.00 0.00 55.95 56.92 2g0k s SER 62 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 2g0k s SER 62 CO 0.00 0.35 -0.16 0.00 0.98 0.00 0.00 173.24 174.42 2g0k s ALA 63 N -0.69 2.70 -0.15 5.32 0.00 -1.17 -2.07 121.76 125.70 2g0k s ALA 63 Ca 0.13 -1.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.09 2g0k s ALA 63 Cb -0.12 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.90 2g0k s ALA 63 CO 0.03 0.18 0.36 -1.54 0.00 0.00 0.00 175.76 174.78 2g0k s SER 64 N -3.51 -0.43 0.29 0.00 1.04 -1.26 -2.48 113.70 107.35 2g0k s SER 64 Ca 0.30 0.77 -0.20 0.00 0.48 0.00 0.00 55.95 57.30 2g0k s SER 64 Cb -0.02 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2g0k s SER 64 CO 0.14 -0.18 0.79 0.28 0.98 0.00 0.00 173.24 175.25 2g0k s THR 65 N 1.31 0.00 -0.07 2.02 -1.32 -1.00 -4.90 115.64 111.68 2g0k s THR 65 Ca -0.09 -0.94 0.05 0.00 -1.21 0.00 0.00 61.69 59.50 2g0k s THR 65 Cb -0.09 -2.33 -0.00 0.00 -1.51 0.00 0.00 72.50 68.57 2g0k s THR 65 CO -0.11 0.00 -0.23 -0.94 -2.21 0.00 0.00 174.62 171.13 2g0k s SER 66 N -3.00 2.87 -0.20 8.08 1.04 -1.26 -1.99 113.70 119.25 2g0k s SER 66 Ca 0.13 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 2g0k s SER 66 Cb -0.05 -0.98 0.01 0.00 0.10 0.00 0.00 66.02 65.10 2g0k s SER 66 CO 0.08 0.19 -0.15 -0.22 0.98 0.00 0.00 173.24 174.12 2g0k s LEU 67 N 0.07 2.44 0.27 2.42 1.98 -0.44 -4.81 118.68 120.61 2g0k s LEU 67 Ca -0.09 -0.62 -0.29 0.00 -2.89 0.00 0.00 54.13 50.24 2g0k s LEU 67 Cb -0.15 -1.56 -0.09 0.00 0.66 0.00 0.00 46.19 45.05 2g0k s LEU 67 CO 0.05 -0.02 0.98 0.28 -1.89 0.00 0.00 176.35 175.75 2g0k s THR 68 N 1.34 3.97 -0.13 3.68 -1.32 -1.26 -1.86 115.64 120.06 2g0k s THR 68 Ca 0.04 1.90 -0.00 0.00 -1.21 0.00 0.00 61.69 62.42 2g0k s THR 68 Cb -0.14 -4.17 -0.02 0.00 -1.51 0.00 0.00 72.50 66.67 2g0k s THR 68 CO -0.10 0.38 -0.13 0.54 -2.21 0.00 0.00 174.62 173.11 2g0k s VAL 69 N -1.28 3.10 0.19 5.08 0.11 -1.19 -4.76 120.40 121.65 2g0k s VAL 69 Ca 0.44 -0.65 0.09 0.00 -2.93 0.00 0.00 61.98 58.94 2g0k s VAL 69 Cb -0.26 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2g0k s VAL 69 CO 0.32 0.52 -0.10 -0.13 -3.33 0.00 0.00 175.10 172.38 2g0k s ARG 70 N 0.32 2.03 0.42 1.54 3.00 -1.26 -4.04 118.95 120.96 2g0k s ARG 70 Ca -0.10 -1.30 0.23 0.00 0.00 0.00 0.00 55.73 54.56 2g0k s ARG 70 Cb -0.16 -2.13 0.60 0.00 0.00 0.00 0.00 34.95 33.25 2g0k s ARG 70 CO 0.05 0.43 1.69 0.07 0.00 0.00 0.00 175.30 177.54 2g0k h ARG 71 N 2.87 0.00 -2.10 3.54 -0.00 -1.93 -3.42 114.38 113.33 2g0k h ARG 71 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.49 2g0k h ARG 71 Cb 1.21 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 30.99 2g0k h ARG 71 CO 0.54 0.17 0.25 -1.54 -0.00 0.00 0.00 179.97 179.39 2g0k s SER 72 N -6.17 -0.60 -0.22 0.08 1.04 -1.26 -0.28 113.70 106.29 2g0k s SER 72 Ca 0.04 0.55 -0.36 0.00 0.48 0.00 0.00 55.95 56.65 2g0k s SER 72 Cb 0.08 0.51 0.15 0.00 0.10 0.00 0.00 66.02 66.85 2g0k s SER 72 CO 0.66 -0.63 1.28 0.72 0.98 0.00 0.00 173.24 176.25 2g0k s PHE 73 N -1.63 -0.08 -0.16 5.02 -0.12 -1.00 -4.97 117.98 115.04 2g0k s PHE 73 Ca -0.07 0.05 -0.29 0.00 -0.05 0.00 0.00 56.93 56.57 2g0k s PHE 73 Cb -0.00 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.84 2g0k s PHE 73 CO 0.05 -0.13 2.07 -1.83 -0.05 0.00 0.00 175.22 175.33 2g0k s GLU 74 N -2.27 3.46 -0.79 1.99 -1.05 -1.26 -0.45 118.70 118.34 2g0k s GLU 74 Ca 0.10 2.11 -0.26 0.00 -0.15 0.00 0.00 54.97 56.78 2g0k s GLU 74 Cb -0.01 -4.28 0.00 0.00 -0.44 0.00 0.00 34.13 29.41 2g0k s GLU 74 CO -0.04 -1.72 1.64 0.20 0.95 0.00 0.00 175.26 176.29 2g0k s GLY 75 N 6.79 0.59 -0.71 -3.83 0.00 0.19 -3.96 107.32 106.40 2g0k s GLY 75 Ca 0.93 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 2g0k s GLY 75 CO 0.36 3.08 1.15 -1.36 0.00 0.00 0.00 173.10 176.33 2g0k s PHE 76 N 7.56 2.45 0.45 1.90 0.08 0.52 -1.04 117.98 129.90 2g0k s PHE 76 Ca 0.55 -0.27 -0.23 0.00 0.12 0.00 0.00 56.93 57.09 2g0k s PHE 76 Cb -0.08 -4.49 -0.10 0.00 -0.57 0.00 0.00 43.02 37.79 2g0k s PHE 76 CO 0.09 -1.90 1.03 -0.11 -0.10 0.00 0.00 175.22 174.23 2g0k n LEU 77 N 8.68 2.92 -0.29 -0.37 7.94 -0.36 0.46 117.00 135.98 2g0k n LEU 77 Ca 0.00 1.01 0.11 0.00 -1.11 0.00 0.00 56.01 56.02 2g0k n LEU 77 Cb 0.48 -1.38 0.27 0.00 0.53 0.00 0.00 43.42 43.32 2g0k n LEU 77 CO 0.68 -1.45 0.99 -0.26 -1.11 0.00 0.00 177.39 176.24 2g0k h PHE 78 N 1.45 0.48 0.00 1.96 -1.00 -1.89 1.78 116.94 119.71 2g0k h PHE 78 Ca -0.45 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.34 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.82 2g0k h PHE 78 CO 0.43 -0.10 0.08 -0.44 -1.61 0.00 0.00 178.31 176.67 2g0k h ASP 79 N 0.32 0.00 0.00 2.17 3.32 -1.93 -3.44 116.42 116.85 2g0k h ASP 79 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2g0k h ASP 79 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2g0k h ASP 79 CO -0.56 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.57 2g0k n GLY 80 N -1.24 1.30 3.55 2.75 0.00 0.61 -5.08 105.19 107.08 2g0k n GLY 80 Ca -0.02 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2g0k n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 81 N -2.00 4.51 -0.79 2.61 2.01 -1.18 -4.86 115.64 115.94 2g0k s THR 81 Ca 0.00 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 2g0k s THR 81 Cb 0.00 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 2g0k s THR 81 CO 0.00 0.41 2.19 -0.13 -0.69 0.00 0.00 174.62 176.41 2g0k s ARG 82 N 0.87 2.08 0.25 4.92 0.52 -1.26 -1.23 118.95 125.09 2g0k s ARG 82 Ca 0.03 0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 55.48 2g0k s ARG 82 Cb -0.14 -4.84 0.26 0.00 0.52 0.00 0.00 34.95 30.75 2g0k s ARG 82 CO 0.02 -3.82 1.85 2.35 0.02 0.00 0.00 175.30 175.73 2g0k h TRP 83 N 12.97 1.15 0.00 -0.53 7.01 -1.43 -3.49 115.95 131.64 2g0k h TRP 83 Ca -0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.95 2g0k h TRP 83 Cb 1.04 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 2g0k h TRP 83 CO 1.16 0.82 0.00 0.41 -2.79 0.00 0.00 178.44 178.04 2g0k n GLY 84 N -1.08 2.02 3.58 2.65 0.00 -1.24 -4.95 105.19 106.17 2g0k n GLY 84 Ca 0.08 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 2g0k n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 85 N -1.53 3.30 0.35 2.61 2.01 -1.26 0.55 115.64 121.67 2g0k s THR 85 Ca 0.00 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2g0k s THR 85 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 2g0k s THR 85 CO 0.00 -0.44 0.92 -0.69 -0.69 0.00 0.00 174.62 173.72 2g0k s VAL 86 N 8.71 4.32 -0.67 3.82 1.01 0.40 -4.85 120.40 133.14 2g0k s VAL 86 Ca 0.82 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 64.33 2g0k s VAL 86 Cb -0.20 -3.85 0.18 0.00 0.00 0.00 0.00 36.38 32.51 2g0k s VAL 86 CO 0.28 -0.01 0.57 -1.81 0.00 0.00 0.00 175.10 174.13 2g0k s ASP 87 N -1.83 6.05 0.65 3.32 1.11 -1.26 -2.37 116.67 122.34 2g0k s ASP 87 Ca 0.54 -2.52 0.30 0.00 0.18 0.00 0.00 52.55 51.05 2g0k s ASP 87 Cb -0.15 -2.06 1.62 0.00 1.07 0.00 0.00 42.92 43.40 2g0k s ASP 87 CO 0.20 -0.56 1.93 0.00 1.18 0.00 0.00 175.17 177.92 2g0k n THR 89 N -3.07 0.14 -0.03 0.00 -2.24 -1.19 -3.73 114.28 104.17 2g0k n THR 89 Ca -0.00 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 2g0k n THR 89 Cb 0.42 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 2g0k n THR 89 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2g0k n THR 90 N 0.21 0.38 -4.34 4.28 -1.04 0.57 -5.01 114.28 109.33 2g0k n THR 90 Ca 0.17 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 2g0k n THR 90 Cb 0.32 -0.54 -0.09 0.00 -1.82 0.00 0.00 70.33 68.20 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k s ALA 91 N -2.26 1.97 -0.15 2.41 0.00 -0.75 -5.07 121.76 117.92 2g0k s ALA 91 Ca -0.03 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 2g0k s ALA 91 Cb 0.03 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 2g0k s ALA 91 CO 0.30 -0.51 0.51 0.00 0.00 0.00 0.00 175.76 176.06 2g0k s ALA 92 N -3.60 3.49 0.37 0.00 0.00 -1.26 -4.47 121.76 116.30 2g0k s ALA 92 Ca 0.36 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.14 2g0k s ALA 92 Cb 0.05 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 2g0k s ALA 92 CO 0.18 -0.18 0.36 0.00 0.00 0.00 0.00 175.76 176.11 2g0k s GLN 94 N -4.09 0.66 0.47 0.00 -2.07 -0.90 -0.58 119.66 113.14 2g0k s GLN 94 Ca 0.45 0.72 -0.00 0.00 -1.82 0.00 0.00 55.36 54.71 2g0k s GLN 94 Cb -0.06 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 2g0k s GLN 94 CO 0.28 -0.09 0.70 0.08 -1.32 0.00 0.00 175.29 174.94 2g0k s VAL 95 N 0.20 3.86 -0.25 3.63 1.01 -1.11 -1.22 120.40 126.53 2g0k s VAL 95 Ca -0.01 -0.47 -0.37 0.00 0.00 0.00 0.00 61.98 61.13 2g0k s VAL 95 Cb -0.04 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 33.06 2g0k s VAL 95 CO 0.01 -0.32 1.34 -0.83 0.00 0.00 0.00 175.10 175.31 2g0k s GLY 96 N -4.24 -0.25 -0.08 4.51 0.00 0.96 -3.10 107.32 105.11 2g0k s GLY 96 Ca 0.49 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.98 2g0k s GLY 96 CO 0.38 0.57 -0.12 0.48 0.00 0.00 0.00 173.10 174.41 2g0k s LEU 97 N -2.14 1.58 0.10 0.66 2.34 1.58 0.58 118.68 123.37 2g0k s LEU 97 Ca 0.11 -0.33 0.04 0.00 0.06 0.00 0.00 54.13 54.01 2g0k s LEU 97 Cb -0.00 -0.89 -0.04 0.00 -0.56 0.00 0.00 46.19 44.70 2g0k s LEU 97 CO -0.03 0.00 0.07 -0.44 -1.06 0.00 0.00 176.35 174.89 2g0k s SER 98 N 0.93 5.39 0.00 1.48 0.01 5.36 -2.60 113.70 124.27 2g0k s SER 98 Ca -0.09 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2g0k s SER 98 Cb -0.15 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2g0k s SER 98 CO 0.00 0.15 0.00 -0.90 0.41 0.00 0.00 173.24 172.91 2g0k n ASP 99 N 0.32 1.04 -0.03 2.44 5.75 -0.94 0.47 116.55 125.61 2g0k n ASP 99 Ca -0.09 -0.14 -0.13 0.00 -0.01 0.00 0.00 54.79 54.42 2g0k n ASP 99 Cb 0.52 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 2g0k n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 100 N 0.15 0.10 0.00 2.12 0.00 -1.91 -2.84 119.26 116.87 2g0k h ALA 100 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2g0k h ALA 100 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 100 CO 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 179.25 178.93 2g0k h ALA 101 N 0.65 1.17 -0.70 0.00 0.00 -1.96 -3.46 119.26 114.95 2g0k h ALA 101 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 101 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2g0k h ALA 101 CO 0.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2g0k n GLY 102 N -0.38 0.65 3.32 0.00 0.00 -1.07 -5.13 105.19 102.59 2g0k n GLY 102 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2g0k n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s ASN 103 N -1.86 1.34 0.07 1.61 6.03 -1.26 -4.82 114.94 116.05 2g0k s ASN 103 Ca 0.00 -1.47 -0.26 0.00 -1.03 0.00 0.00 52.86 50.10 2g0k s ASN 103 Cb 0.00 0.28 0.09 0.00 -3.03 0.00 0.00 41.25 38.59 2g0k s ASN 103 CO 0.00 -0.81 1.18 -0.83 -2.03 0.00 0.00 177.10 174.61 2g0k s GLY 104 N -3.34 -0.05 0.83 0.45 0.00 -1.25 -2.20 107.32 101.75 2g0k s GLY 104 Ca 0.37 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.90 2g0k s GLY 104 CO 0.15 3.85 1.09 2.56 0.00 0.00 0.00 173.10 180.75 2g0k s PRO 105 N -2.13 1.83 -0.27 2.90 0.04 -1.26 -4.38 135.00 131.73 2g0k s PRO 105 Ca 0.25 0.79 -0.40 0.00 0.04 0.00 0.00 61.00 61.68 2g0k s PRO 105 Cb -0.01 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.47 2g0k s PRO 105 CO 0.02 -1.83 1.26 -0.85 0.04 0.00 0.00 177.00 175.63 2g0k n GLU 106 N -3.60 0.00 -0.97 4.56 0.28 -0.93 -4.53 120.64 115.45 2g0k n GLU 106 Ca 0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.76 2g0k n GLU 106 Cb 0.55 -1.36 0.01 0.00 1.43 0.00 0.00 31.44 32.08 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 2.71 -2.93 3.17 -1.84 0.00 -1.26 -4.83 105.19 100.21 2g0k n GLY 107 Ca 0.24 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2g0k n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0k s VAL 108 N -1.63 3.47 0.02 1.61 1.01 -1.18 -5.07 120.40 118.63 2g0k s VAL 108 Ca 0.43 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.36 2g0k s VAL 108 Cb -0.34 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2g0k s VAL 108 CO 0.57 -0.53 1.00 0.00 0.00 0.00 0.00 175.10 176.15 2g0k s ALA 109 N 1.24 3.20 0.31 5.51 0.00 -1.26 -2.75 121.76 128.00 2g0k s ALA 109 Ca 0.04 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2g0k s ALA 109 Cb -0.22 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2g0k s ALA 109 CO -0.02 -0.23 0.35 0.96 0.00 0.00 0.00 175.76 176.82 2g0k s ILE 110 N 0.89 0.00 0.05 0.00 -4.36 0.25 -4.94 121.20 113.09 2g0k s ILE 110 Ca 0.52 -1.81 -0.27 0.00 -0.26 0.00 0.00 60.65 58.83 2g0k s ILE 110 Cb -0.22 -2.54 0.09 0.00 1.25 0.00 0.00 42.46 41.04 2g0k s ILE 110 CO 0.28 0.00 1.20 -0.44 0.24 0.00 0.00 174.94 176.22 2g0k s SER 111 N -3.27 -0.02 -0.12 4.36 0.01 -1.19 -2.75 113.70 110.71 2g0k s SER 111 Ca 0.36 -0.32 -0.00 0.00 1.31 0.00 0.00 55.95 57.29 2g0k s SER 111 Cb 0.02 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.54 2g0k s SER 111 CO 0.22 -0.52 -0.09 -0.36 0.41 0.00 0.00 173.24 172.89 2g0k s PHE 112 N -2.25 1.68 0.00 2.43 0.40 -1.26 -3.14 117.98 115.84 2g0k s PHE 112 Ca 0.22 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.68 2g0k s PHE 112 Cb 0.00 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.19 2g0k s PHE 112 CO 0.00 -0.56 0.00 0.09 0.70 0.00 0.00 175.22 175.45