#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 1.06 1.08 0.00 0.00 -1.26 -4.63 121.76 118.01 2g0k s ALA 2 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 2g0k s ALA 2 Cb 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 23.12 22.78 2g0k s ALA 2 CO 0.00 0.12 0.48 -0.35 0.00 0.00 0.00 175.76 176.01 2g0k n PRO 3 N 3.65 -1.57 -3.27 0.00 -0.04 -1.26 -4.20 135.00 128.30 2g0k n PRO 3 Ca -0.22 -0.77 -0.44 0.00 -0.04 0.00 0.00 63.50 62.04 2g0k n PRO 3 Cb 0.52 -0.66 -0.07 0.00 -0.04 0.00 0.00 33.50 33.25 2g0k n PRO 3 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2g0k s THR 4 N -1.93 5.04 0.08 0.52 2.01 -0.96 -2.83 115.64 117.56 2g0k s THR 4 Ca 0.30 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.81 2g0k s THR 4 Cb -0.02 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 2g0k s THR 4 CO 0.23 -0.61 -0.21 0.00 -0.69 0.00 0.00 174.62 173.33 2g0k s ALA 5 N 2.22 1.83 -0.37 7.40 0.00 -1.25 0.57 121.76 132.16 2g0k s ALA 5 Ca 0.11 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2g0k s ALA 5 Cb -0.20 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2g0k s ALA 5 CO 0.11 0.39 0.24 0.95 0.00 0.00 0.00 175.76 177.45 2g0k s THR 6 N -0.98 4.92 0.05 0.00 -4.23 0.78 -4.83 115.64 111.35 2g0k s THR 6 Ca 0.08 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2g0k s THR 6 Cb -0.09 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 2g0k s THR 6 CO 0.03 -0.19 0.03 -0.69 -0.54 0.00 0.00 174.62 173.26 2g0k s VAL 7 N 1.63 4.25 1.10 2.29 1.01 -1.24 -0.76 120.40 128.67 2g0k s VAL 7 Ca 0.04 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2g0k s VAL 7 Cb -0.19 -2.99 0.24 0.00 0.00 0.00 0.00 36.38 33.45 2g0k s VAL 7 CO 0.08 0.22 1.17 0.28 0.00 0.00 0.00 175.10 176.85 2g0k s THR 8 N -1.25 1.77 -0.22 3.92 -1.32 0.96 -4.92 115.64 114.57 2g0k s THR 8 Ca 0.25 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 2g0k s THR 8 Cb -0.12 -2.66 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 2g0k s THR 8 CO 0.16 0.00 1.45 -2.16 -2.21 0.00 0.00 174.62 171.87 2g0k s PRO 9 N -5.51 3.94 -0.57 7.08 0.04 -1.26 -4.81 135.00 133.91 2g0k s PRO 9 Ca 0.71 1.57 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2g0k s PRO 9 Cb -0.09 -3.93 0.41 0.00 0.04 0.00 0.00 34.50 30.93 2g0k s PRO 9 CO 0.55 -1.10 1.51 -1.13 0.04 0.00 0.00 177.00 176.88 2g0k n SER 10 N 7.74 5.97 -3.89 6.66 3.41 -1.26 -4.88 113.62 127.37 2g0k n SER 10 Ca 0.16 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.69 -0.16 0.00 -0.26 0.00 0.00 64.21 63.56 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2g0k s SER 11 N -2.59 3.89 0.00 4.04 1.04 -1.17 -1.43 113.70 117.48 2g0k s SER 11 Ca 0.52 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2g0k s SER 11 Cb 0.43 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2g0k s SER 11 CO -0.21 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2g0k n GLY 12 N 4.69 1.04 3.75 7.32 0.00 -1.23 -4.75 105.19 116.01 2g0k n GLY 12 Ca -0.08 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 4.26 0.47 0.99 1.43 -1.26 -4.82 118.68 119.75 2g0k s LEU 13 Ca 0.00 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2g0k s LEU 13 Cb 0.00 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 2g0k s LEU 13 CO 0.00 0.18 0.30 -0.44 0.23 0.00 0.00 176.35 176.62 2g0k s SER 14 N 0.19 4.62 0.39 2.29 0.01 -1.26 -4.81 113.70 115.11 2g0k s SER 14 Ca 0.13 -1.12 -0.24 0.00 1.31 0.00 0.00 55.95 56.04 2g0k s SER 14 Cb -0.12 -0.07 -0.13 0.00 0.21 0.00 0.00 66.02 65.91 2g0k s SER 14 CO 0.02 -0.81 0.72 -0.67 0.41 0.00 0.00 173.24 172.91 2g0k n ASP 15 N -1.52 -0.10 0.00 2.44 2.03 -1.26 -1.76 116.55 116.39 2g0k n ASP 15 Ca -0.02 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2g0k n ASP 15 Cb 0.64 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g0k n GLY 16 N 1.58 3.30 3.80 0.27 0.00 -1.25 -5.03 105.19 107.87 2g0k n GLY 16 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.93 3.74 -0.17 2.61 2.01 -0.72 -4.95 115.64 115.23 2g0k s THR 17 Ca 0.00 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.02 2g0k s THR 17 Cb 0.00 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.12 2g0k s THR 17 CO 0.00 -0.30 -0.11 0.54 -0.69 0.00 0.00 174.62 174.06 2g0k s VAL 18 N -2.08 1.51 0.61 3.82 0.11 -1.26 -1.78 120.40 121.33 2g0k s VAL 18 Ca 0.67 -0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 2g0k s VAL 18 Cb -0.17 -1.51 -0.00 0.00 -1.53 0.00 0.00 36.38 33.16 2g0k s VAL 18 CO 0.25 0.30 0.95 -0.69 -3.33 0.00 0.00 175.10 172.58 2g0k s VAL 19 N 1.49 3.91 -0.06 2.04 1.01 0.01 -4.91 120.40 123.88 2g0k s VAL 19 Ca 0.02 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2g0k s VAL 19 Cb -0.14 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2g0k s VAL 19 CO -0.09 -0.65 -0.19 -0.75 0.00 0.00 0.00 175.10 173.42 2g0k s LYS 20 N -5.08 2.18 -0.19 2.72 2.47 -1.26 -1.66 119.74 118.92 2g0k s LYS 20 Ca 0.54 -0.69 -0.03 0.00 -1.56 0.00 0.00 55.97 54.23 2g0k s LYS 20 Cb -0.11 -1.80 0.06 0.00 -1.46 0.00 0.00 37.83 34.52 2g0k s LYS 20 CO 0.48 0.22 0.04 0.14 0.16 0.00 0.00 175.35 176.40 2g0k s VAL 21 N 0.16 0.41 -0.19 4.02 -7.23 -0.72 -0.03 120.40 116.82 2g0k s VAL 21 Ca -0.08 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 2g0k s VAL 21 Cb -0.14 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2g0k s VAL 21 CO 0.04 -0.21 -0.19 0.00 -0.31 0.00 0.00 175.10 174.44 2g0k s ALA 22 N 1.91 2.37 0.20 1.32 0.00 0.06 -2.71 121.76 124.91 2g0k s ALA 22 Ca -0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 2g0k s ALA 22 Cb -0.17 -1.24 -0.08 0.00 0.00 0.00 0.00 23.12 21.63 2g0k s ALA 22 CO -0.08 -0.42 0.83 0.20 0.00 0.00 0.00 175.76 176.29 2g0k s GLY 23 N 1.29 2.95 -0.20 0.00 0.00 -1.03 0.27 107.32 110.60 2g0k s GLY 23 Ca 0.04 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.15 2g0k s GLY 23 CO -0.12 0.94 0.07 0.00 0.00 0.00 0.00 173.10 173.99 2g0k s ALA 24 N -1.22 0.73 0.00 3.20 0.00 2.31 -2.77 121.76 124.00 2g0k s ALA 24 Ca 0.39 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2g0k s ALA 24 Cb -0.23 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2g0k s ALA 24 CO 0.27 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2g0k n GLY 25 N 5.16 1.49 0.00 0.00 0.00 -1.26 -2.26 105.19 108.34 2g0k n GLY 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.69 0.99 4.77 -1.07 -4.73 117.00 112.27 2g0k n LEU 26 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2g0k n LEU 26 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2g0k n LEU 26 CO 0.00 -0.18 0.50 -1.10 -1.33 0.00 0.00 177.39 175.28 2g0k s GLN 27 N 0.03 4.36 0.09 3.23 1.11 -1.26 -4.70 119.66 122.52 2g0k s GLN 27 Ca 0.00 0.94 -0.30 0.00 0.01 0.00 0.00 55.36 56.01 2g0k s GLN 27 Cb 0.00 -3.52 -0.06 0.00 -1.01 0.00 0.00 33.01 28.42 2g0k s GLN 27 CO 0.00 -0.14 1.18 0.00 0.01 0.00 0.00 175.29 176.34 2g0k s ALA 28 N 1.51 3.39 0.00 6.09 0.00 -1.26 -2.44 121.76 129.05 2g0k s ALA 28 Ca 0.38 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2g0k s ALA 28 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2g0k s ALA 28 CO 0.15 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2g0k n GLY 29 N 2.90 0.49 3.81 0.00 0.00 -1.17 -4.94 105.19 106.28 2g0k n GLY 29 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.15 5.01 0.18 2.61 2.01 -1.02 -4.85 115.64 117.44 2g0k s THR 30 Ca 0.00 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 2g0k s THR 30 Cb 0.00 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 2g0k s THR 30 CO 0.00 0.53 0.62 0.00 -0.69 0.00 0.00 174.62 175.08 2g0k s ALA 31 N -0.78 3.51 0.03 7.40 0.00 -1.26 -2.00 121.76 128.66 2g0k s ALA 31 Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2g0k s ALA 31 Cb -0.17 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 2g0k s ALA 31 CO 0.14 0.41 -0.10 0.71 0.00 0.00 0.00 175.76 176.91 2g0k s TYR 32 N -1.52 0.85 -0.25 0.00 2.02 -0.96 -3.77 117.35 113.72 2g0k s TYR 32 Ca 0.41 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.71 2g0k s TYR 32 Cb -0.15 -0.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.90 2g0k s TYR 32 CO 0.20 -0.02 0.01 -0.51 -1.57 0.00 0.00 175.55 173.66 2g0k s ASP 33 N -1.07 4.67 -0.01 2.29 1.11 2.03 -3.18 116.67 122.51 2g0k s ASP 33 Ca -0.03 -0.57 -0.01 0.00 0.18 0.00 0.00 52.55 52.13 2g0k s ASP 33 Cb -0.07 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.09 2g0k s ASP 33 CO 0.01 -0.10 0.11 -0.69 1.18 0.00 0.00 175.17 175.67 2g0k s VAL 34 N 1.47 4.90 0.15 -1.27 1.01 -0.21 1.15 120.40 127.61 2g0k s VAL 34 Ca 0.04 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 2g0k s VAL 34 Cb -0.16 -3.25 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2g0k s VAL 34 CO -0.01 0.35 0.99 -0.83 0.00 0.00 0.00 175.10 175.60 2g0k s GLY 35 N -1.78 -0.17 -0.26 4.51 0.00 3.69 -0.63 107.32 112.68 2g0k s GLY 35 Ca 0.24 0.06 0.01 0.00 0.00 0.00 0.00 44.72 45.03 2g0k s GLY 35 CO 0.15 0.38 -0.09 1.62 0.00 0.00 0.00 173.10 175.16 2g0k s GLN 36 N -3.04 2.46 0.46 2.90 0.74 -1.26 -0.32 119.66 121.60 2g0k s GLN 36 Ca 0.14 -1.21 0.08 0.00 0.05 0.00 0.00 55.36 54.42 2g0k s GLN 36 Cb -0.01 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.18 2g0k s GLN 36 CO 0.03 -0.51 0.47 0.00 -0.55 0.00 0.00 175.29 174.73 2g0k s ALA 38 N -2.52 -1.35 0.11 0.00 0.00 0.23 -2.27 121.76 115.96 2g0k s ALA 38 Ca 0.49 1.60 -0.31 0.00 0.00 0.00 0.00 51.96 53.74 2g0k s ALA 38 Cb -0.05 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 22.05 2g0k s ALA 38 CO 0.29 -0.27 1.60 -0.46 0.00 0.00 0.00 175.76 176.93 2g0k s TRP 39 N 0.51 2.71 -0.15 0.00 -0.00 -1.25 -0.45 118.94 120.32 2g0k s TRP 39 Ca -0.02 0.48 -0.09 0.00 -0.00 0.00 0.00 56.10 56.47 2g0k s TRP 39 Cb -0.04 -3.93 -0.06 0.00 -0.00 0.00 0.00 33.47 29.43 2g0k s TRP 39 CO -0.02 -3.60 -0.21 0.28 -0.00 0.00 0.00 176.95 173.40 2g0k n VAL 40 N 4.40 0.99 -4.07 5.86 0.31 -0.31 -4.84 118.33 120.67 2g0k n VAL 40 Ca 0.15 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2g0k n VAL 40 Cb 0.40 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.46 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2g0k s ASP 41 N -6.38 0.21 -0.31 4.52 -1.08 0.59 -5.00 116.67 109.22 2g0k s ASP 41 Ca -0.22 -1.07 -0.35 0.00 -0.52 0.00 0.00 52.55 50.39 2g0k s ASP 41 Cb 0.08 0.35 -0.12 0.00 -1.46 0.00 0.00 42.92 41.77 2g0k s ASP 41 CO 0.28 -0.79 2.11 1.07 0.52 0.00 0.00 175.17 178.36 2g0k n THR 42 N -0.14 0.25 -0.99 1.71 5.66 -1.26 0.20 114.28 119.71 2g0k n THR 42 Ca -0.06 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2g0k n THR 42 Cb 0.63 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0k n GLY 43 N 6.04 0.35 2.89 1.09 0.00 -1.26 -4.97 105.19 109.33 2g0k n GLY 43 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.76 1.12 0.31 1.61 1.01 0.52 -5.11 120.40 118.10 2g0k s VAL 44 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.40 2g0k s VAL 44 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2g0k s VAL 44 CO 0.00 0.08 -0.09 -1.48 0.00 0.00 0.00 175.10 173.61 2g0k s LEU 45 N 1.62 2.80 -0.03 3.92 0.05 -1.26 0.22 118.68 126.00 2g0k s LEU 45 Ca -0.00 -1.03 0.06 0.00 0.05 0.00 0.00 54.13 53.21 2g0k s LEU 45 Cb -0.16 -1.20 -0.01 0.00 -2.05 0.00 0.00 46.19 42.77 2g0k s LEU 45 CO -0.08 -0.11 -0.21 0.00 -0.55 0.00 0.00 176.35 175.40 2g0k s ALA 46 N -2.52 1.77 0.07 1.48 0.00 0.41 -3.37 121.76 119.59 2g0k s ALA 46 Ca 0.32 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2g0k s ALA 46 Cb -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2g0k s ALA 46 CO 0.17 0.40 -0.02 0.00 0.00 0.00 0.00 175.76 176.31 2g0k s ASN 48 N -2.07 5.57 0.00 0.00 2.47 -1.06 0.10 114.94 119.95 2g0k s ASN 48 Ca 0.23 -1.31 0.19 0.00 0.42 0.00 0.00 52.86 52.39 2g0k s ASN 48 Cb -0.11 -1.96 1.15 0.00 -1.45 0.00 0.00 41.25 38.87 2g0k s ASN 48 CO 0.15 -0.45 1.54 -0.81 -3.72 0.00 0.00 177.10 173.81 2g0k n PRO 49 N 4.90 0.62 0.00 0.43 -0.04 -1.26 -2.09 135.00 137.57 2g0k n PRO 49 Ca -0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2g0k n PRO 49 Cb 0.44 -1.48 0.30 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.98 3.39 -1.98 0.55 0.00 -1.26 -3.85 120.51 116.37 2g0k n ALA 50 Ca 0.14 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.30 2g0k n ALA 50 Cb 0.07 -1.16 0.09 0.00 0.00 0.00 0.00 19.45 18.45 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 51 N -1.43 1.20 -4.54 0.00 5.68 -0.89 -5.03 116.55 111.55 2g0k n ASP 51 Ca 0.06 -2.69 -0.42 0.00 -0.50 0.00 0.00 54.79 51.23 2g0k n ASP 51 Cb 0.34 -0.37 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2g0k s PHE 52 N -1.30 2.66 0.49 2.11 0.08 -1.23 -4.12 117.98 116.68 2g0k s PHE 52 Ca 0.29 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.53 2g0k s PHE 52 Cb 0.31 -4.32 0.04 0.00 -0.57 0.00 0.00 43.02 38.48 2g0k s PHE 52 CO -0.09 -1.54 0.68 0.45 -0.10 0.00 0.00 175.22 174.62 2g0k s SER 53 N 3.03 5.39 0.04 1.36 0.15 0.20 -4.98 113.70 118.89 2g0k s SER 53 Ca 0.35 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.48 2g0k s SER 53 Cb -0.10 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2g0k s SER 53 CO 0.21 -1.02 0.18 -0.94 1.20 0.00 0.00 173.24 172.87 2g0k s SER 54 N -4.45 0.05 -0.02 5.45 1.04 -1.26 -2.24 113.70 112.26 2g0k s SER 54 Ca 0.58 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.34 2g0k s SER 54 Cb -0.09 0.28 0.10 0.00 0.10 0.00 0.00 66.02 66.41 2g0k s SER 54 CO 0.36 -0.55 0.88 0.54 0.98 0.00 0.00 173.24 175.45 2g0k s VAL 55 N -2.54 0.00 -0.07 5.02 0.11 -1.19 -4.97 120.40 116.76 2g0k s VAL 55 Ca -0.05 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2g0k s VAL 55 Cb -0.01 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2g0k s VAL 55 CO -0.04 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -2.82 1.31 0.62 5.04 2.01 -1.26 -2.25 115.64 118.29 2g0k s THR 56 Ca 0.03 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 2g0k s THR 56 Cb -0.01 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 2g0k s THR 56 CO -0.07 0.39 1.24 0.00 -0.69 0.00 0.00 174.62 175.49 2g0k s ALA 57 N 0.58 2.46 0.45 7.40 0.00 -0.84 -4.82 121.76 126.98 2g0k s ALA 57 Ca -0.15 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 2g0k s ALA 57 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2g0k s ALA 57 CO 0.05 -1.36 0.16 -0.40 0.00 0.00 0.00 175.76 174.21 2g0k n ASP 58 N -1.79 0.22 0.30 0.00 5.68 -0.87 -3.02 116.55 117.07 2g0k n ASP 58 Ca 0.14 -1.18 0.16 0.00 -0.50 0.00 0.00 54.79 53.41 2g0k n ASP 58 Cb 0.49 -0.11 0.94 0.00 -1.14 0.00 0.00 41.12 41.30 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 -0.50 1.35 -0.19 2.12 0.00 -1.94 0.22 119.26 120.32 2g0k h ALA 59 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2g0k h ALA 59 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2g0k h ALA 59 CO 0.06 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2g0k n ASN 60 N -3.62 1.03 -0.67 0.00 4.13 -1.26 -4.84 115.26 110.03 2g0k n ASN 60 Ca -0.03 -1.98 -0.08 0.00 1.68 0.00 0.00 54.58 54.17 2g0k n ASN 60 Cb 0.12 -0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.19 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2g0k n GLY 61 N 0.82 0.80 3.67 7.41 0.00 0.75 -4.69 105.19 113.94 2g0k n GLY 61 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2g0k n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2g0k s SER 62 N -2.20 5.56 0.30 1.61 0.15 -1.26 -2.58 113.70 115.28 2g0k s SER 62 Ca 0.00 0.13 0.11 0.00 0.70 0.00 0.00 55.95 56.89 2g0k s SER 62 Cb 0.00 -1.84 -0.06 0.00 -1.71 0.00 0.00 66.02 62.42 2g0k s SER 62 CO 0.00 0.26 -0.15 0.00 1.20 0.00 0.00 173.24 174.55 2g0k s ALA 63 N -0.15 2.79 -0.10 5.45 0.00 -1.12 -2.06 121.76 126.58 2g0k s ALA 63 Ca 0.07 -1.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 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 0.01 0.18 0.23 -1.54 0.00 0.00 0.00 175.76 174.64 2g0k s SER 64 N -3.54 -0.07 -0.10 0.00 1.04 -1.26 -2.47 113.70 107.31 2g0k s SER 64 Ca 0.31 0.50 -0.31 0.00 0.48 0.00 0.00 55.95 56.93 2g0k s SER 64 Cb -0.01 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.63 2g0k s SER 64 CO 0.15 -0.18 0.82 -0.89 0.98 0.00 0.00 173.24 174.12 2g0k s THR 65 N 1.54 0.00 -0.03 2.02 2.01 -1.10 -4.93 115.64 115.15 2g0k s THR 65 Ca -0.07 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2g0k s THR 65 Cb -0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2g0k s THR 65 CO -0.08 0.00 -0.04 -0.94 -0.69 0.00 0.00 174.62 172.87 2g0k s SER 66 N -1.16 4.87 -0.18 3.53 1.04 -1.26 -1.75 113.70 118.78 2g0k s SER 66 Ca -0.07 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 2g0k s SER 66 Cb -0.00 -1.24 -0.01 0.00 0.10 0.00 0.00 66.02 64.87 2g0k s SER 66 CO 0.06 0.32 -0.10 -0.22 0.98 0.00 0.00 173.24 174.29 2g0k s LEU 67 N -1.20 2.72 -0.01 2.42 1.98 -0.67 -4.93 118.68 119.00 2g0k s LEU 67 Ca 0.16 -0.41 -0.30 0.00 -2.89 0.00 0.00 54.13 50.69 2g0k s LEU 67 Cb -0.11 -1.66 -0.06 0.00 0.66 0.00 0.00 46.19 45.02 2g0k s LEU 67 CO 0.06 0.04 1.44 0.28 -1.89 0.00 0.00 176.35 176.28 2g0k s THR 68 N 1.08 3.66 -0.14 3.68 -1.32 -1.26 -0.81 115.64 120.53 2g0k s THR 68 Ca 0.00 1.03 -0.25 0.00 -1.21 0.00 0.00 61.69 61.27 2g0k s THR 68 Cb -0.15 -3.66 -0.02 0.00 -1.51 0.00 0.00 72.50 67.16 2g0k s THR 68 CO -0.02 -0.01 0.79 -0.69 -2.21 0.00 0.00 174.62 172.48 2g0k s VAL 69 N 2.59 4.93 0.04 5.08 1.01 -0.73 -4.92 120.40 128.40 2g0k s VAL 69 Ca 0.65 1.57 0.08 0.00 0.00 0.00 0.00 61.98 64.28 2g0k s VAL 69 Cb -0.32 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2g0k s VAL 69 CO 0.27 0.09 -0.20 -0.13 0.00 0.00 0.00 175.10 175.12 2g0k s ARG 70 N 1.80 2.02 0.09 2.72 3.00 -1.26 -3.75 118.95 123.56 2g0k s ARG 70 Ca 0.38 -1.01 0.25 0.00 0.00 0.00 0.00 55.73 55.35 2g0k s ARG 70 Cb -0.17 -2.14 0.50 0.00 0.00 0.00 0.00 34.95 33.14 2g0k s ARG 70 CO 0.14 0.54 1.44 2.89 0.00 0.00 0.00 175.30 180.31 2g0k n ARG 71 N 1.63 0.20 -3.57 3.54 -4.01 -1.26 -4.59 116.66 108.61 2g0k n ARG 71 Ca -0.16 0.07 -0.12 0.00 -1.04 0.00 0.00 57.85 56.60 2g0k n ARG 71 Cb 0.52 -1.64 -0.05 0.00 -3.04 0.00 0.00 32.46 28.24 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2g0k s SER 72 N -3.89 -0.43 -0.26 2.89 1.04 -1.26 0.32 113.70 112.12 2g0k s SER 72 Ca 0.08 0.48 -0.31 0.00 0.48 0.00 0.00 55.95 56.69 2g0k s SER 72 Cb 0.15 0.37 0.17 0.00 0.10 0.00 0.00 66.02 66.81 2g0k s SER 72 CO 0.69 -0.39 1.29 0.72 0.98 0.00 0.00 173.24 176.53 2g0k s PHE 73 N -1.08 -0.09 -0.09 5.02 -0.12 -0.66 -4.93 117.98 116.03 2g0k s PHE 73 Ca -0.03 0.14 -0.35 0.00 -0.05 0.00 0.00 56.93 56.63 2g0k s PHE 73 Cb -0.00 0.49 -0.13 0.00 -0.63 0.00 0.00 43.02 42.75 2g0k s PHE 73 CO 0.03 -0.10 1.80 -0.85 -0.05 0.00 0.00 175.22 176.05 2g0k n GLU 74 N 0.41 1.94 -2.49 1.99 0.28 -1.26 0.09 120.64 121.60 2g0k n GLU 74 Ca -0.01 0.71 -0.40 0.00 -0.16 0.00 0.00 57.16 57.30 2g0k n GLU 74 Cb 0.58 -2.51 -0.03 0.00 1.43 0.00 0.00 31.44 30.91 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2g0k s GLY 75 N 3.46 1.02 -0.70 -1.84 0.00 0.24 -3.96 107.32 105.54 2g0k s GLY 75 Ca 0.92 -1.89 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 2g0k s GLY 75 CO 0.52 2.78 1.12 -1.36 0.00 0.00 0.00 173.10 176.16 2g0k s PHE 76 N 5.80 2.49 0.19 1.90 0.08 0.28 -0.79 117.98 127.94 2g0k s PHE 76 Ca 0.46 -0.33 -0.33 0.00 0.12 0.00 0.00 56.93 56.86 2g0k s PHE 76 Cb -0.03 -4.45 -0.13 0.00 -0.57 0.00 0.00 43.02 37.83 2g0k s PHE 76 CO -0.01 -1.85 1.61 -0.11 -0.10 0.00 0.00 175.22 174.76 2g0k n LEU 77 N 8.49 3.49 -0.35 -0.37 7.94 0.13 0.18 117.00 136.50 2g0k n LEU 77 Ca -0.00 1.09 0.27 0.00 -1.11 0.00 0.00 56.01 56.25 2g0k n LEU 77 Cb 0.47 -1.49 0.56 0.00 0.53 0.00 0.00 43.42 43.49 2g0k n LEU 77 CO 0.67 -0.12 1.23 2.19 -1.11 0.00 0.00 177.39 180.25 2g0k h PHE 78 N 5.96 0.57 0.00 1.96 -5.15 -1.86 1.67 116.94 120.09 2g0k h PHE 78 Ca -0.44 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.24 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.25 2g0k h PHE 78 CO 0.62 -0.01 0.10 0.22 -2.00 0.00 0.00 178.31 177.24 2g0k h ASP 79 N 0.29 0.00 0.00 -0.68 3.58 -1.91 -3.44 116.42 114.26 2g0k h ASP 79 Ca 0.64 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.09 2g0k h ASP 79 Cb 1.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.86 2g0k h ASP 79 CO -0.30 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.67 2g0k n GLY 80 N -1.23 1.48 3.55 -0.78 0.00 0.57 -5.10 105.19 103.67 2g0k n GLY 80 Ca -0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 3.33 -0.80 2.61 2.01 -1.05 -4.93 115.64 114.82 2g0k s THR 81 Ca 0.00 -1.01 -0.22 0.00 0.31 0.00 0.00 61.69 60.77 2g0k s THR 81 Cb 0.00 -2.46 0.08 0.00 0.01 0.00 0.00 72.50 70.13 2g0k s THR 81 CO 0.00 0.31 1.11 -0.13 -0.69 0.00 0.00 174.62 175.23 2g0k s ARG 82 N -1.60 3.33 0.05 4.92 0.52 -1.26 0.18 118.95 125.09 2g0k s ARG 82 Ca 0.17 -1.09 -0.27 0.00 -0.52 0.00 0.00 55.73 54.02 2g0k s ARG 82 Cb -0.11 -4.59 -0.17 0.00 0.52 0.00 0.00 34.95 30.60 2g0k s ARG 82 CO 0.08 -1.89 1.50 2.35 0.02 0.00 0.00 175.30 177.36 2g0k h TRP 83 N 9.43 -0.41 0.00 -0.53 7.01 -1.32 -3.48 115.95 126.64 2g0k h TRP 83 Ca -0.09 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.90 2g0k h TRP 83 Cb 1.05 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 2g0k h TRP 83 CO 1.09 -0.17 0.00 0.41 -2.79 0.00 0.00 178.44 176.98 2g0k n GLY 84 N -0.87 2.33 3.67 2.65 0.00 -1.22 -4.95 105.19 106.80 2g0k n GLY 84 Ca -0.10 -1.72 -0.47 0.00 0.00 0.00 0.00 46.02 43.73 2g0k n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g0k n THR 85 N -1.86 0.26 -3.92 2.61 -1.04 -1.26 0.81 114.28 109.88 2g0k n THR 85 Ca 0.00 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 2g0k n THR 85 Cb 0.00 -1.68 -0.04 0.00 -1.82 0.00 0.00 70.33 66.79 2g0k n THR 85 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2g0k s VAL 86 N 2.32 5.40 -0.51 12.58 1.01 0.11 -4.78 120.40 136.53 2g0k s VAL 86 Ca 0.85 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2g0k s VAL 86 Cb -0.69 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.23 2g0k s VAL 86 CO 0.44 0.21 0.28 -1.81 0.00 0.00 0.00 175.10 174.22 2g0k s ASP 87 N -2.31 4.83 0.59 3.32 1.01 -1.26 -1.65 116.67 121.20 2g0k s ASP 87 Ca 0.32 -2.68 0.29 0.00 0.71 0.00 0.00 52.55 51.19 2g0k s ASP 87 Cb -0.13 -1.74 1.49 0.00 1.01 0.00 0.00 42.92 43.56 2g0k s ASP 87 CO 0.25 -0.35 1.92 0.00 0.21 0.00 0.00 175.17 177.20 2g0k n THR 89 N -3.74 0.01 -0.01 0.00 -2.24 -1.20 -3.33 114.28 103.77 2g0k n THR 89 Ca 0.08 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2g0k n THR 89 Cb 0.63 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.73 0.15 -4.36 4.28 -1.04 0.55 -5.07 114.28 108.07 2g0k n THR 90 Ca 0.20 -0.12 -0.18 0.00 -2.04 0.00 0.00 64.05 61.91 2g0k n THR 90 Cb 0.14 -0.54 -0.05 0.00 -1.82 0.00 0.00 70.33 68.06 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k n ALA 91 N -1.98 0.42 -2.66 2.41 0.00 -0.36 -5.06 120.51 113.28 2g0k n ALA 91 Ca -0.04 -1.50 -0.37 0.00 0.00 0.00 0.00 53.44 51.53 2g0k n ALA 91 Cb 0.46 1.02 -0.10 0.00 0.00 0.00 0.00 19.45 20.83 2g0k n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g0k s ALA 92 N -2.81 3.60 0.16 0.00 0.00 -1.26 -4.62 121.76 116.83 2g0k s ALA 92 Ca 0.16 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2g0k s ALA 92 Cb 0.01 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 2g0k s ALA 92 CO 0.11 -0.22 0.16 0.00 0.00 0.00 0.00 175.76 175.81 2g0k s GLN 94 N -3.12 0.43 0.19 0.00 -2.07 -0.96 0.31 119.66 114.44 2g0k s GLN 94 Ca 0.32 -0.45 0.10 0.00 -1.82 0.00 0.00 55.36 53.51 2g0k s GLN 94 Cb -0.10 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2g0k s GLN 94 CO 0.24 -0.10 -0.19 0.08 -1.32 0.00 0.00 175.29 174.01 2g0k s VAL 95 N -1.38 2.67 -0.06 3.63 1.01 -1.05 -0.59 120.40 124.65 2g0k s VAL 95 Ca -0.15 -1.89 -0.31 0.00 0.00 0.00 0.00 61.98 59.64 2g0k s VAL 95 Cb -0.08 -2.30 0.12 0.00 0.00 0.00 0.00 36.38 34.12 2g0k s VAL 95 CO 0.01 -0.11 1.36 -0.83 0.00 0.00 0.00 175.10 175.52 2g0k s GLY 96 N -2.73 -0.36 0.05 4.51 0.00 0.56 -3.58 107.32 105.79 2g0k s GLY 96 Ca 0.22 0.57 0.07 0.00 0.00 0.00 0.00 44.72 45.58 2g0k s GLY 96 CO 0.12 2.36 -0.19 0.48 0.00 0.00 0.00 173.10 175.87 2g0k s LEU 97 N -3.32 2.20 0.11 0.66 2.34 1.06 0.74 118.68 122.47 2g0k s LEU 97 Ca 0.20 -0.54 0.07 0.00 0.06 0.00 0.00 54.13 53.93 2g0k s LEU 97 Cb 0.04 -0.84 -0.03 0.00 -0.56 0.00 0.00 46.19 44.80 2g0k s LEU 97 CO -0.04 0.10 -0.18 -0.44 -1.06 0.00 0.00 176.35 174.73 2g0k s SER 98 N -1.33 2.27 0.00 1.48 0.01 9.01 -3.12 113.70 122.02 2g0k s SER 98 Ca 0.05 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2g0k s SER 98 Cb -0.09 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2g0k s SER 98 CO 0.02 -0.02 0.00 -0.90 0.41 0.00 0.00 173.24 172.75 2g0k n ASP 99 N 0.93 0.95 0.01 2.44 5.75 -0.83 0.53 116.55 126.32 2g0k n ASP 99 Ca -0.18 -0.56 -0.11 0.00 -0.01 0.00 0.00 54.79 53.92 2g0k n ASP 99 Cb 0.55 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.39 0.08 0.00 2.12 0.00 -1.91 -1.91 119.26 118.04 2g0k h ALA 100 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2g0k h ALA 100 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 100 CO 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 179.25 178.61 2g0k h ALA 101 N 1.00 1.15 -0.15 0.00 0.00 -1.96 -3.46 119.26 115.84 2g0k h ALA 101 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2g0k h ALA 101 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2g0k h ALA 101 CO -0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2g0k n GLY 102 N -0.22 0.90 3.62 0.00 0.00 -0.72 -5.12 105.19 103.66 2g0k n GLY 102 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.97 4.18 0.06 1.61 4.22 -1.26 -4.74 114.94 117.04 2g0k s ASN 103 Ca 0.00 -0.96 -0.19 0.00 -2.14 0.00 0.00 52.86 49.58 2g0k s ASN 103 Cb 0.00 -0.55 0.06 0.00 1.28 0.00 0.00 41.25 42.04 2g0k s ASN 103 CO 0.00 -0.20 0.87 0.61 -2.04 0.00 0.00 177.10 176.35 2g0k n GLY 104 N -0.93 0.55 3.79 0.45 0.00 -1.26 -1.98 105.19 105.82 2g0k n GLY 104 Ca -0.04 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 2g0k n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g0k s PRO 105 N -2.03 2.97 -0.43 1.61 0.04 -1.26 -4.41 135.00 131.49 2g0k s PRO 105 Ca 0.20 1.22 -0.41 0.00 0.04 0.00 0.00 61.00 62.05 2g0k s PRO 105 Cb -0.01 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2g0k s PRO 105 CO 0.02 -1.09 1.40 -0.85 0.04 0.00 0.00 177.00 176.51 2g0k n GLU 106 N -2.50 0.00 -0.99 4.56 0.28 -1.13 -4.58 120.64 116.28 2g0k n GLU 106 Ca 0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.77 2g0k n GLU 106 Cb 0.53 -1.30 0.01 0.00 1.43 0.00 0.00 31.44 32.11 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 3.51 -2.88 2.95 -1.84 0.00 -1.26 -4.82 105.19 100.85 2g0k n GLY 107 Ca 0.27 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.65 1.77 -0.06 1.61 1.01 -1.23 -5.09 120.40 116.76 2g0k s VAL 108 Ca 0.44 -1.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.43 2g0k s VAL 108 Cb -0.36 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2g0k s VAL 108 CO 0.57 -0.38 0.84 0.00 0.00 0.00 0.00 175.10 176.13 2g0k s ALA 109 N 1.21 3.30 0.26 5.51 0.00 -1.26 -2.52 121.76 128.26 2g0k s ALA 109 Ca 0.03 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2g0k s ALA 109 Cb -0.19 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2g0k s ALA 109 CO -0.10 -0.26 0.32 0.42 0.00 0.00 0.00 175.76 176.14 2g0k s ILE 110 N 1.14 4.82 -0.10 0.00 1.01 0.15 -4.96 121.20 123.26 2g0k s ILE 110 Ca 0.44 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 2g0k s ILE 110 Cb -0.19 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.69 2g0k s ILE 110 CO 0.21 -0.31 0.19 -0.55 0.00 0.00 0.00 174.94 174.48 2g0k s SER 111 N -3.96 0.55 -0.23 3.58 0.15 -0.51 -3.90 113.70 109.38 2g0k s SER 111 Ca 0.35 0.41 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 2g0k s SER 111 Cb -0.09 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2g0k s SER 111 CO 0.28 -0.24 0.32 -0.36 1.20 0.00 0.00 173.24 174.44 2g0k s PHE 112 N 2.23 3.31 0.00 3.44 0.40 -1.26 -3.03 117.98 123.08 2g0k s PHE 112 Ca 0.01 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 2g0k s PHE 112 Cb -0.12 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.94 2g0k s PHE 112 CO -0.07 -0.06 0.00 0.09 0.70 0.00 0.00 175.22 175.88