#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 2.58 1.10 0.00 0.00 -1.26 -4.67 121.76 119.51 2g0k s ALA 2 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 2g0k s ALA 2 Cb 0.00 -1.28 0.16 0.00 0.00 0.00 0.00 23.12 21.99 2g0k s ALA 2 CO 0.00 0.01 0.63 -0.35 0.00 0.00 0.00 175.76 176.06 2g0k n PRO 3 N 3.97 -1.81 -3.53 0.00 -0.04 -1.26 -3.92 135.00 128.41 2g0k n PRO 3 Ca -0.19 -1.00 -0.40 0.00 -0.04 0.00 0.00 63.50 61.87 2g0k n PRO 3 Cb 0.52 -0.86 -0.10 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.21 5.28 0.10 0.52 -1.32 0.99 -1.82 115.64 117.18 2g0k s THR 4 Ca 0.40 -0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.80 2g0k s THR 4 Cb -0.03 -3.70 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 2g0k s THR 4 CO 0.30 0.03 -0.11 0.00 -2.21 0.00 0.00 174.62 172.62 2g0k s ALA 5 N 1.76 1.21 -0.23 11.08 0.00 -1.23 0.80 121.76 135.15 2g0k s ALA 5 Ca 0.07 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 2g0k s ALA 5 Cb -0.17 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2g0k s ALA 5 CO 0.11 0.02 -0.09 0.95 0.00 0.00 0.00 175.76 176.74 2g0k s THR 6 N -2.25 2.77 0.01 0.00 -4.23 0.66 -4.85 115.64 107.76 2g0k s THR 6 Ca 0.06 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.70 2g0k s THR 6 Cb -0.04 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 2g0k s THR 6 CO 0.01 0.31 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.58 2g0k s VAL 7 N 1.34 3.12 0.96 2.29 1.01 -1.24 -0.84 120.40 127.04 2g0k s VAL 7 Ca 0.02 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2g0k s VAL 7 Cb -0.15 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.08 2g0k s VAL 7 CO -0.06 0.41 1.09 0.28 0.00 0.00 0.00 175.10 176.82 2g0k s THR 8 N -0.91 2.39 -0.17 3.92 -1.32 -0.34 -4.84 115.64 114.37 2g0k s THR 8 Ca 0.15 0.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 2g0k s THR 8 Cb -0.11 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.30 2g0k s THR 8 CO 0.05 -0.16 1.43 -2.16 -2.21 0.00 0.00 174.62 171.56 2g0k s PRO 9 N -4.89 4.08 0.00 7.08 0.04 -1.26 -4.53 135.00 135.52 2g0k s PRO 9 Ca 0.65 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2g0k s PRO 9 Cb -0.19 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2g0k s PRO 9 CO 0.58 -0.93 0.81 -1.13 0.04 0.00 0.00 177.00 176.37 2g0k n SER 10 N 7.27 1.32 -4.51 6.66 3.41 -1.26 -4.91 113.62 121.59 2g0k n SER 10 Ca 0.16 -1.64 -0.43 0.00 -0.26 0.00 0.00 58.87 56.70 2g0k n SER 10 Cb 0.45 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.64 6.33 0.00 4.04 1.04 -1.23 -3.48 113.70 119.76 2g0k s SER 11 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2g0k s SER 11 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2g0k s SER 11 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2g0k n GLY 12 N 5.10 1.09 3.56 7.32 0.00 -1.05 -4.48 105.19 116.73 2g0k n GLY 12 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.38 0.74 0.99 1.43 -1.23 -4.47 118.68 119.53 2g0k s LEU 13 Ca 0.00 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2g0k s LEU 13 Cb 0.00 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.53 2g0k s LEU 13 CO 0.00 0.24 1.04 -0.44 0.23 0.00 0.00 176.35 177.42 2g0k s SER 14 N -0.04 4.36 0.69 2.29 0.01 -1.26 -4.87 113.70 114.87 2g0k s SER 14 Ca 0.02 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.16 2g0k s SER 14 Cb -0.13 -0.50 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 2g0k s SER 14 CO 0.02 -1.87 0.19 -0.67 0.41 0.00 0.00 173.24 171.32 2g0k n ASP 15 N -2.99 -2.45 0.00 2.44 2.03 -1.26 -2.27 116.55 112.06 2g0k n ASP 15 Ca 0.12 0.57 0.00 0.00 0.52 0.00 0.00 54.79 56.00 2g0k n ASP 15 Cb 0.60 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 2.12 3.23 3.78 0.27 0.00 -1.24 -5.03 105.19 108.32 2g0k n GLY 16 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.38 3.39 -0.11 2.61 2.01 -0.96 -4.96 115.64 115.24 2g0k s THR 17 Ca 0.00 0.96 0.03 0.00 0.31 0.00 0.00 61.69 62.99 2g0k s THR 17 Cb 0.00 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 2g0k s THR 17 CO 0.00 -0.09 -0.22 0.54 -0.69 0.00 0.00 174.62 174.16 2g0k s VAL 18 N -1.72 2.27 0.09 3.82 0.11 -1.26 -2.42 120.40 121.28 2g0k s VAL 18 Ca 0.66 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2g0k s VAL 18 Cb -0.23 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 2g0k s VAL 18 CO 0.28 0.55 0.11 0.68 -3.33 0.00 0.00 175.10 173.39 2g0k s VAL 19 N 0.38 4.68 0.04 2.04 -7.23 0.21 -4.94 120.40 115.58 2g0k s VAL 19 Ca -0.16 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2g0k s VAL 19 Cb -0.17 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2g0k s VAL 19 CO 0.08 0.10 0.05 -0.75 -0.31 0.00 0.00 175.10 174.27 2g0k s LYS 20 N -2.49 2.86 -0.20 4.82 2.36 -1.26 -0.61 119.74 125.23 2g0k s LYS 20 Ca 0.30 -0.64 -0.04 0.00 -2.55 0.00 0.00 55.97 53.04 2g0k s LYS 20 Cb -0.12 -2.72 0.08 0.00 -1.05 0.00 0.00 37.83 34.02 2g0k s LYS 20 CO 0.23 0.59 0.16 0.54 1.55 0.00 0.00 175.35 178.43 2g0k s VAL 21 N -1.27 -0.21 -0.20 4.02 0.11 -0.57 -1.19 120.40 121.08 2g0k s VAL 21 Ca 0.25 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 2g0k s VAL 21 Cb -0.12 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2g0k s VAL 21 CO 0.17 -0.30 -0.11 0.00 -3.33 0.00 0.00 175.10 171.53 2g0k s ALA 22 N 2.23 2.10 0.21 1.54 0.00 -0.02 -2.04 121.76 125.78 2g0k s ALA 22 Ca 0.05 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 2g0k s ALA 22 Cb -0.16 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 2g0k s ALA 22 CO -0.14 -0.81 0.74 0.20 0.00 0.00 0.00 175.76 175.76 2g0k s GLY 23 N 1.35 2.70 -0.18 0.00 0.00 -1.07 0.24 107.32 110.37 2g0k s GLY 23 Ca -0.01 0.23 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 2g0k s GLY 23 CO -0.08 0.63 0.08 0.00 0.00 0.00 0.00 173.10 173.73 2g0k s ALA 24 N -1.41 0.51 0.00 3.20 0.00 4.25 -3.18 121.76 125.13 2g0k s ALA 24 Ca 0.41 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2g0k s ALA 24 Cb -0.19 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2g0k s ALA 24 CO 0.22 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2g0k n GLY 25 N 5.25 1.46 0.00 0.00 0.00 -1.23 -0.00 105.19 110.66 2g0k n GLY 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.11 -4.70 117.00 112.27 2g0k n LEU 26 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2g0k n LEU 26 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2g0k n LEU 26 CO 0.00 -0.47 0.74 -1.10 -1.33 0.00 0.00 177.39 175.24 2g0k s GLN 27 N -2.33 4.40 0.13 3.23 1.11 -1.26 -4.77 119.66 120.17 2g0k s GLN 27 Ca 0.00 1.31 -0.31 0.00 0.01 0.00 0.00 55.36 56.37 2g0k s GLN 27 Cb 0.00 -3.54 -0.08 0.00 -1.01 0.00 0.00 33.01 28.38 2g0k s GLN 27 CO 0.00 -0.30 1.33 0.00 0.01 0.00 0.00 175.29 176.32 2g0k s ALA 28 N 2.00 3.53 0.00 6.09 0.00 -1.26 -2.00 121.76 130.12 2g0k s ALA 28 Ca 0.46 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2g0k s ALA 28 Cb -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2g0k s ALA 28 CO 0.17 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2g0k n GLY 29 N 3.11 0.41 3.75 0.00 0.00 -1.02 -4.99 105.19 106.46 2g0k n GLY 29 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.96 5.31 0.33 2.61 2.01 -0.84 -4.85 115.64 118.24 2g0k s THR 30 Ca 0.00 0.51 -0.14 0.00 0.31 0.00 0.00 61.69 62.37 2g0k s THR 30 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 2g0k s THR 30 CO 0.00 0.44 0.73 0.00 -0.69 0.00 0.00 174.62 175.09 2g0k s ALA 31 N 0.14 3.34 0.00 7.40 0.00 -1.26 -2.20 121.76 129.19 2g0k s ALA 31 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2g0k s ALA 31 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2g0k s ALA 31 CO 0.04 0.30 -0.07 0.71 0.00 0.00 0.00 175.76 176.74 2g0k s TYR 32 N -2.03 0.61 -0.35 0.00 2.02 -0.80 -4.29 117.35 112.51 2g0k s TYR 32 Ca 0.53 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.93 2g0k s TYR 32 Cb -0.10 -0.39 -0.01 0.00 -0.40 0.00 0.00 41.96 41.06 2g0k s TYR 32 CO 0.20 -0.02 0.24 -0.51 -1.57 0.00 0.00 175.55 173.89 2g0k s ASP 33 N -0.40 6.00 0.09 2.29 1.11 5.25 -3.23 116.67 127.78 2g0k s ASP 33 Ca 0.01 -0.57 0.01 0.00 0.18 0.00 0.00 52.55 52.18 2g0k s ASP 33 Cb -0.04 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 2g0k s ASP 33 CO -0.00 -0.29 0.20 -0.69 1.18 0.00 0.00 175.17 175.58 2g0k s VAL 34 N 1.69 5.18 -0.02 -1.27 1.01 -0.73 1.36 120.40 127.62 2g0k s VAL 34 Ca 0.05 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2g0k s VAL 34 Cb -0.18 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2g0k s VAL 34 CO 0.10 0.06 1.29 -0.83 0.00 0.00 0.00 175.10 175.72 2g0k s GLY 35 N -2.71 -0.33 -0.38 4.51 0.00 1.91 -0.28 107.32 110.04 2g0k s GLY 35 Ca 0.34 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.49 2g0k s GLY 35 CO 0.27 1.65 0.19 1.62 0.00 0.00 0.00 173.10 176.82 2g0k s GLN 36 N -2.29 2.59 -0.05 2.90 0.74 -1.24 -0.97 119.66 121.33 2g0k s GLN 36 Ca 0.18 -1.34 -0.01 0.00 0.05 0.00 0.00 55.36 54.25 2g0k s GLN 36 Cb 0.03 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 2g0k s GLN 36 CO -0.03 -0.82 0.02 0.00 -0.55 0.00 0.00 175.29 173.91 2g0k s ALA 38 N -1.00 1.90 0.07 0.00 0.00 0.53 -1.65 121.76 121.61 2g0k s ALA 38 Ca 0.17 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 2g0k s ALA 38 Cb -0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 2g0k s ALA 38 CO 0.07 0.41 1.67 -0.46 0.00 0.00 0.00 175.76 177.45 2g0k s TRP 39 N -0.28 2.35 -0.20 0.00 -0.00 -1.26 -0.22 118.94 119.34 2g0k s TRP 39 Ca 0.02 0.27 -0.06 0.00 -0.00 0.00 0.00 56.10 56.32 2g0k s TRP 39 Cb -0.11 -3.99 -0.10 0.00 -0.00 0.00 0.00 33.47 29.27 2g0k s TRP 39 CO 0.01 -3.98 -0.23 0.28 -0.00 0.00 0.00 176.95 173.02 2g0k n VAL 40 N 4.78 1.12 -4.25 5.86 0.31 0.14 -4.85 118.33 121.44 2g0k n VAL 40 Ca 0.16 -0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 2g0k n VAL 40 Cb 0.40 -1.58 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 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 -6.53 0.99 -0.31 4.52 -1.08 0.29 -4.99 116.67 109.56 2g0k s ASP 41 Ca -0.28 -1.28 -0.36 0.00 -0.52 0.00 0.00 52.55 50.12 2g0k s ASP 41 Cb 0.10 0.18 -0.12 0.00 -1.46 0.00 0.00 42.92 41.62 2g0k s ASP 41 CO 0.39 -0.67 2.11 1.07 0.52 0.00 0.00 175.17 178.58 2g0k n THR 42 N -0.31 0.24 -0.96 1.71 5.66 -1.26 0.20 114.28 119.56 2g0k n THR 42 Ca -0.03 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2g0k n THR 42 Cb 0.65 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 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 6.05 0.35 3.05 1.09 0.00 -1.26 -4.97 105.19 109.51 2g0k n GLY 43 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.82 1.83 -0.03 1.61 1.01 0.52 -5.09 120.40 118.43 2g0k s VAL 44 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2g0k s VAL 44 Cb 0.00 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 2g0k s VAL 44 CO 0.00 0.36 -0.16 -1.48 0.00 0.00 0.00 175.10 173.83 2g0k s LEU 45 N 1.35 1.91 0.23 3.92 2.34 -1.26 0.11 118.68 127.29 2g0k s LEU 45 Ca 0.02 -0.31 -0.07 0.00 0.06 0.00 0.00 54.13 53.83 2g0k s LEU 45 Cb -0.14 -0.87 -0.06 0.00 -0.56 0.00 0.00 46.19 44.55 2g0k s LEU 45 CO -0.10 0.15 0.52 0.00 -1.06 0.00 0.00 176.35 175.85 2g0k s ALA 46 N -0.02 3.63 0.04 1.48 0.00 0.70 -4.05 121.76 123.55 2g0k s ALA 46 Ca -0.02 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2g0k s ALA 46 Cb -0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2g0k s ALA 46 CO 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 175.76 176.16 2g0k s ASN 48 N -1.79 4.12 0.00 0.00 4.22 -1.00 0.39 114.94 120.88 2g0k s ASN 48 Ca 0.20 -0.90 0.20 0.00 -2.14 0.00 0.00 52.86 50.21 2g0k s ASN 48 Cb -0.11 -1.61 1.16 0.00 1.28 0.00 0.00 41.25 41.96 2g0k s ASN 48 CO 0.11 -0.11 1.57 -0.81 -2.04 0.00 0.00 177.10 175.82 2g0k n PRO 49 N 4.63 0.59 0.17 3.55 -0.04 -1.26 -2.56 135.00 140.07 2g0k n PRO 49 Ca -0.17 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.34 2g0k n PRO 49 Cb 0.47 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.62 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k h ALA 50 N 3.21 0.83 0.00 0.55 0.00 -1.93 -3.22 119.26 118.69 2g0k h ALA 50 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2g0k h ALA 50 Cb 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 2g0k h ALA 50 CO 0.00 0.54 -0.51 -0.25 0.00 0.00 0.00 179.25 179.03 2g0k n ASP 51 N -3.36 1.60 -4.63 0.00 8.00 -1.06 -5.01 116.55 112.09 2g0k n ASP 51 Ca 0.01 -3.31 -0.42 0.00 0.71 0.00 0.00 54.79 51.77 2g0k n ASP 51 Cb 0.62 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2g0k s PHE 52 N -2.40 3.20 0.46 1.24 -0.12 -1.22 -3.70 117.98 115.44 2g0k s PHE 52 Ca 0.34 1.04 0.04 0.00 -0.05 0.00 0.00 56.93 58.30 2g0k s PHE 52 Cb 0.34 -3.39 0.04 0.00 -0.63 0.00 0.00 43.02 39.37 2g0k s PHE 52 CO -0.07 -0.62 0.31 0.43 -0.05 0.00 0.00 175.22 175.22 2g0k n SER 53 N 6.46 2.57 -3.90 1.98 7.64 0.62 -4.94 113.62 124.04 2g0k n SER 53 Ca 0.08 -2.64 -0.10 0.00 1.01 0.00 0.00 58.87 57.22 2g0k n SER 53 Cb 0.47 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.59 2g0k n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2g0k s SER 54 N -3.70 0.13 -0.11 6.43 1.04 -1.26 -2.44 113.70 113.78 2g0k s SER 54 Ca 0.24 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 2g0k s SER 54 Cb -0.02 0.25 0.11 0.00 0.10 0.00 0.00 66.02 66.47 2g0k s SER 54 CO 0.15 -0.53 0.92 0.54 0.98 0.00 0.00 173.24 175.29 2g0k s VAL 55 N -2.65 0.00 -0.05 5.02 0.11 -1.20 -4.90 120.40 116.73 2g0k s VAL 55 Ca -0.04 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2g0k s VAL 55 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2g0k s VAL 55 CO -0.05 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -1.46 1.26 0.40 5.04 2.01 -1.26 -1.91 115.64 119.72 2g0k s THR 56 Ca -0.02 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 2g0k s THR 56 Cb -0.00 -1.11 -0.08 0.00 0.01 0.00 0.00 72.50 71.31 2g0k s THR 56 CO 0.01 0.38 1.20 0.00 -0.69 0.00 0.00 174.62 175.51 2g0k s ALA 57 N 0.30 3.17 0.72 7.40 0.00 -0.93 -4.67 121.76 127.76 2g0k s ALA 57 Ca -0.08 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 2g0k s ALA 57 Cb -0.13 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.63 2g0k s ALA 57 CO 0.03 -0.59 0.24 -0.40 0.00 0.00 0.00 175.76 175.04 2g0k n ASP 58 N 0.07 0.15 0.27 0.00 5.68 -0.83 -2.43 116.55 119.46 2g0k n ASP 58 Ca 0.04 -1.17 0.12 0.00 -0.50 0.00 0.00 54.79 53.29 2g0k n ASP 58 Cb 0.46 -0.17 0.77 0.00 -1.14 0.00 0.00 41.12 41.04 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 -1.21 1.48 -0.00 2.12 0.00 -1.94 0.15 119.26 119.86 2g0k h ALA 59 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 59 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2g0k h ALA 59 CO 0.07 0.09 -0.01 -1.71 0.00 0.00 0.00 179.25 177.69 2g0k n ASN 60 N -3.87 0.01 -0.51 0.00 5.15 -1.26 -4.88 115.26 109.90 2g0k n ASN 60 Ca -0.02 0.15 -0.04 0.00 -0.60 0.00 0.00 54.58 54.07 2g0k n ASN 60 Cb 0.16 -0.38 -0.00 0.00 -0.53 0.00 0.00 39.78 39.03 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 1.39 0.23 3.19 8.20 0.00 0.52 -4.82 105.19 113.89 2g0k n GLY 61 Ca 0.11 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.83 2.69 0.31 1.61 1.04 -1.26 -2.74 113.70 112.53 2g0k s SER 62 Ca 0.01 -0.46 0.11 0.00 0.48 0.00 0.00 55.95 56.08 2g0k s SER 62 Cb -0.00 -0.95 -0.06 0.00 0.10 0.00 0.00 66.02 65.11 2g0k s SER 62 CO 0.01 0.17 -0.13 0.00 0.98 0.00 0.00 173.24 174.27 2g0k s ALA 63 N 0.14 2.90 -0.15 5.32 0.00 -1.19 -1.97 121.76 126.82 2g0k s ALA 63 Ca -0.10 -1.97 -0.07 0.00 0.00 0.00 0.00 51.96 49.81 2g0k s ALA 63 Cb -0.15 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2g0k s ALA 63 CO 0.05 0.17 0.34 -1.54 0.00 0.00 0.00 175.76 174.78 2g0k s SER 64 N -3.58 -0.37 0.11 0.00 1.04 -1.26 -2.61 113.70 107.03 2g0k s SER 64 Ca 0.32 0.75 -0.24 0.00 0.48 0.00 0.00 55.95 57.26 2g0k s SER 64 Cb -0.01 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.83 2g0k s SER 64 CO 0.16 -0.19 0.58 -0.89 0.98 0.00 0.00 173.24 173.89 2g0k s THR 65 N 1.46 0.01 -0.16 2.02 2.01 -0.86 -4.88 115.64 115.23 2g0k s THR 65 Ca -0.09 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 2g0k s THR 65 Cb -0.09 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 2g0k s THR 65 CO -0.11 -0.05 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.20 2g0k s SER 66 N -2.38 3.77 0.22 3.53 0.01 -1.26 -1.51 113.70 116.07 2g0k s SER 66 Ca -0.02 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2g0k s SER 66 Cb -0.01 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 2g0k s SER 66 CO -0.07 0.08 0.36 -0.22 0.41 0.00 0.00 173.24 173.79 2g0k s LEU 67 N 0.87 4.28 -0.08 2.44 0.20 0.23 -4.93 118.68 121.67 2g0k s LEU 67 Ca -0.04 0.20 -0.02 0.00 0.69 0.00 0.00 54.13 54.96 2g0k s LEU 67 Cb -0.15 -2.98 -0.03 0.00 -0.43 0.00 0.00 46.19 42.60 2g0k s LEU 67 CO -0.01 -0.05 0.01 0.28 -0.29 0.00 0.00 176.35 176.30 2g0k s THR 68 N -1.92 4.40 -0.23 3.68 -1.32 -1.26 -0.62 115.64 118.37 2g0k s THR 68 Ca 0.36 -0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.49 2g0k s THR 68 Cb -0.10 -2.86 -0.05 0.00 -1.51 0.00 0.00 72.50 67.98 2g0k s THR 68 CO 0.30 0.59 0.20 -0.69 -2.21 0.00 0.00 174.62 172.81 2g0k s VAL 69 N -0.91 5.33 -0.06 5.08 1.01 -1.02 -4.83 120.40 125.01 2g0k s VAL 69 Ca 0.14 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.45 2g0k s VAL 69 Cb -0.11 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2g0k s VAL 69 CO 0.03 0.33 -0.23 -0.13 0.00 0.00 0.00 175.10 175.10 2g0k s ARG 70 N 1.06 2.53 0.37 2.72 3.00 -1.26 -3.72 118.95 123.65 2g0k s ARG 70 Ca 0.10 -0.87 0.05 0.00 0.00 0.00 0.00 55.73 55.01 2g0k s ARG 70 Cb -0.14 -2.20 0.73 0.00 0.00 0.00 0.00 34.95 33.35 2g0k s ARG 70 CO 0.05 0.43 1.98 0.07 0.00 0.00 0.00 175.30 177.83 2g0k h ARG 71 N 5.93 0.57 -3.23 3.54 0.11 -1.91 -3.41 114.38 115.99 2g0k h ARG 71 Ca -0.35 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.64 2g0k h ARG 71 Cb 1.17 -0.11 -0.11 0.00 1.11 0.00 0.00 29.97 32.02 2g0k h ARG 71 CO 0.48 0.46 0.06 -1.54 0.10 0.00 0.00 179.97 179.53 2g0k s SER 72 N -6.68 -0.34 -0.14 0.08 1.04 -1.26 0.14 113.70 106.54 2g0k s SER 72 Ca -0.08 -0.31 -0.34 0.00 0.48 0.00 0.00 55.95 55.70 2g0k s SER 72 Cb 0.17 0.56 0.14 0.00 0.10 0.00 0.00 66.02 66.99 2g0k s SER 72 CO 0.75 -0.99 1.34 0.72 0.98 0.00 0.00 173.24 176.04 2g0k s PHE 73 N -3.82 -0.04 -0.15 5.02 -0.12 -0.72 -4.95 117.98 113.19 2g0k s PHE 73 Ca 0.05 -0.00 -0.29 0.00 -0.05 0.00 0.00 56.93 56.64 2g0k s PHE 73 Cb -0.00 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 2g0k s PHE 73 CO -0.08 -0.12 1.68 -1.83 -0.05 0.00 0.00 175.22 174.82 2g0k s GLU 74 N -2.21 3.90 -0.85 1.99 1.03 -1.26 0.41 118.70 121.71 2g0k s GLU 74 Ca 0.13 1.90 -0.25 0.00 0.03 0.00 0.00 54.97 56.78 2g0k s GLU 74 Cb 0.03 -4.04 0.02 0.00 -0.80 0.00 0.00 34.13 29.33 2g0k s GLU 74 CO -0.04 -1.18 1.55 0.20 -1.33 0.00 0.00 175.26 174.45 2g0k s GLY 75 N 4.20 0.79 -0.71 -3.83 0.00 0.19 -3.73 107.32 104.22 2g0k s GLY 75 Ca 0.75 -1.60 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 2g0k s GLY 75 CO 0.30 2.93 1.14 -1.36 0.00 0.00 0.00 173.10 176.11 2g0k s PHE 76 N 6.73 2.47 0.20 1.90 0.08 1.29 -1.17 117.98 129.48 2g0k s PHE 76 Ca 0.50 -0.30 -0.33 0.00 0.12 0.00 0.00 56.93 56.93 2g0k s PHE 76 Cb -0.06 -4.48 -0.13 0.00 -0.57 0.00 0.00 43.02 37.78 2g0k s PHE 76 CO 0.04 -1.88 1.59 -0.11 -0.10 0.00 0.00 175.22 174.76 2g0k n LEU 77 N 8.60 3.44 -0.34 -0.37 7.94 0.17 0.22 117.00 136.66 2g0k n LEU 77 Ca 0.01 1.09 0.26 0.00 -1.11 0.00 0.00 56.01 56.26 2g0k n LEU 77 Cb 0.47 -1.48 0.56 0.00 0.53 0.00 0.00 43.42 43.50 2g0k n LEU 77 CO 0.68 -0.16 1.23 -0.26 -1.11 0.00 0.00 177.39 177.77 2g0k h PHE 78 N 5.79 0.56 0.00 1.96 0.04 -1.86 1.54 116.94 124.97 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2g0k h PHE 78 Cb 1.24 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2g0k h PHE 78 CO 0.62 0.01 0.10 0.22 -0.60 0.00 0.00 178.31 178.66 2g0k h ASP 79 N 0.30 0.00 0.00 2.17 1.82 -1.92 -3.44 116.42 115.35 2g0k h ASP 79 Ca 0.63 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 2g0k h ASP 79 Cb 1.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.76 2g0k h ASP 79 CO -0.28 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.96 2g0k n GLY 80 N -1.23 1.61 3.49 -0.78 0.00 0.52 -5.10 105.19 103.71 2g0k n GLY 80 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 2.90 -0.72 2.61 2.01 -1.05 -4.93 115.64 114.46 2g0k s THR 81 Ca 0.00 -1.40 -0.20 0.00 0.31 0.00 0.00 61.69 60.40 2g0k s THR 81 Cb 0.00 -2.31 0.10 0.00 0.01 0.00 0.00 72.50 70.30 2g0k s THR 81 CO 0.00 0.16 0.93 -0.60 -0.69 0.00 0.00 174.62 174.42 2g0k s ARG 82 N -1.98 3.24 0.04 4.92 3.00 -1.26 0.44 118.95 127.35 2g0k s ARG 82 Ca 0.18 -1.28 -0.30 0.00 -1.00 0.00 0.00 55.73 53.32 2g0k s ARG 82 Cb -0.11 -4.44 -0.17 0.00 0.00 0.00 0.00 34.95 30.23 2g0k s ARG 82 CO 0.09 -1.71 1.35 2.35 0.00 0.00 0.00 175.30 177.39 2g0k h TRP 83 N 9.20 -0.85 0.00 5.12 2.91 -1.52 -3.48 115.95 127.33 2g0k h TRP 83 Ca -0.15 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.85 2g0k h TRP 83 Cb 1.06 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 2g0k h TRP 83 CO 0.99 -0.49 0.00 0.41 -1.03 0.00 0.00 178.44 178.32 2g0k n GLY 84 N -0.99 1.69 3.57 2.65 0.00 -1.24 -4.96 105.19 105.91 2g0k n GLY 84 Ca -0.13 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.89 3.42 0.49 2.61 2.01 -1.26 0.58 115.64 121.59 2g0k s THR 85 Ca 0.00 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 2g0k s THR 85 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 2g0k s THR 85 CO 0.00 -0.64 0.99 0.68 -0.69 0.00 0.00 174.62 174.96 2g0k s VAL 86 N 8.11 4.31 -0.53 3.82 -7.23 0.17 -4.79 120.40 124.26 2g0k s VAL 86 Ca 0.74 1.26 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 2g0k s VAL 86 Cb -0.17 -3.61 0.14 0.00 0.56 0.00 0.00 36.38 33.30 2g0k s VAL 86 CO 0.27 -0.48 0.30 -1.81 -0.31 0.00 0.00 175.10 173.07 2g0k s ASP 87 N -2.59 4.90 0.57 4.85 1.01 -1.26 -1.75 116.67 122.41 2g0k s ASP 87 Ca 0.62 -2.70 0.29 0.00 0.71 0.00 0.00 52.55 51.47 2g0k s ASP 87 Cb -0.11 -1.76 1.46 0.00 1.01 0.00 0.00 42.92 43.52 2g0k s ASP 87 CO 0.24 -0.35 1.88 0.00 0.21 0.00 0.00 175.17 177.14 2g0k n THR 89 N -3.86 0.00 -0.01 0.00 -2.24 -1.13 -3.24 114.28 103.81 2g0k n THR 89 Ca 0.12 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2g0k n THR 89 Cb 0.78 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.96 0.08 -4.50 4.28 -1.04 0.63 -4.97 114.28 107.79 2g0k n THR 90 Ca 0.22 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.05 61.91 2g0k n THR 90 Cb 0.10 -0.67 -0.08 0.00 -1.82 0.00 0.00 70.33 67.86 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 -2.05 2.94 -0.22 2.41 0.00 -0.19 -5.06 121.76 119.59 2g0k s ALA 91 Ca -0.01 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 2g0k s ALA 91 Cb 0.01 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2g0k s ALA 91 CO 0.06 -0.38 0.27 0.00 0.00 0.00 0.00 175.76 175.70 2g0k s ALA 92 N -3.19 3.59 0.40 0.00 0.00 -1.26 -4.00 121.76 117.30 2g0k s ALA 92 Ca 0.23 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2g0k s ALA 92 Cb 0.01 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 2g0k s ALA 92 CO 0.17 -0.23 0.42 0.00 0.00 0.00 0.00 175.76 176.12 2g0k s GLN 94 N -4.17 0.77 0.33 0.00 -2.07 -0.66 -0.04 119.66 113.83 2g0k s GLN 94 Ca 0.49 0.28 0.07 0.00 -1.82 0.00 0.00 55.36 54.37 2g0k s GLN 94 Cb -0.06 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.21 2g0k s GLN 94 CO 0.29 -0.19 0.43 0.08 -1.32 0.00 0.00 175.29 174.58 2g0k s VAL 95 N -0.72 4.07 -0.12 3.63 1.01 -1.05 -0.96 120.40 126.26 2g0k s VAL 95 Ca -0.08 -1.07 -0.34 0.00 0.00 0.00 0.00 61.98 60.50 2g0k s VAL 95 Cb -0.03 -3.40 0.15 0.00 0.00 0.00 0.00 36.38 33.10 2g0k s VAL 95 CO 0.05 -0.17 1.44 -0.83 0.00 0.00 0.00 175.10 175.58 2g0k s GLY 96 N -4.12 -0.46 -0.07 4.51 0.00 -0.14 -3.01 107.32 104.02 2g0k s GLY 96 Ca 0.43 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.26 2g0k s GLY 96 CO 0.30 0.24 -0.06 0.48 0.00 0.00 0.00 173.10 174.06 2g0k s LEU 97 N -2.86 1.21 0.14 0.66 2.34 0.53 0.51 118.68 121.20 2g0k s LEU 97 Ca 0.15 -0.20 0.02 0.00 0.06 0.00 0.00 54.13 54.16 2g0k s LEU 97 Cb 0.07 -0.63 -0.04 0.00 -0.56 0.00 0.00 46.19 45.03 2g0k s LEU 97 CO -0.06 -0.08 0.25 -0.44 -1.06 0.00 0.00 176.35 174.96 2g0k s SER 98 N 1.28 6.23 0.00 1.48 0.01 12.80 -2.90 113.70 132.60 2g0k s SER 98 Ca -0.04 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2g0k s SER 98 Cb -0.14 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2g0k s SER 98 CO -0.02 0.07 0.00 -0.90 0.41 0.00 0.00 173.24 172.80 2g0k n ASP 99 N -0.38 1.65 -0.00 2.44 5.75 -0.98 0.89 116.55 125.91 2g0k n ASP 99 Ca -0.07 -0.43 -0.11 0.00 -0.01 0.00 0.00 54.79 54.17 2g0k n ASP 99 Cb 0.54 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.76 0.11 0.00 2.12 0.00 -1.92 -2.30 119.26 118.03 2g0k h ALA 100 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2g0k h ALA 100 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 179.25 178.64 2g0k h ALA 101 N 0.95 1.00 -0.45 0.00 0.00 -1.96 -3.47 119.26 115.33 2g0k h ALA 101 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2g0k h ALA 101 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2g0k h ALA 101 CO -0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2g0k n GLY 102 N 0.23 0.64 3.48 0.00 0.00 -0.87 -5.13 105.19 103.55 2g0k n GLY 102 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.67 2.62 -0.07 1.61 6.03 -1.26 -4.77 114.94 117.43 2g0k s ASN 103 Ca 0.00 -1.69 -0.25 0.00 -1.03 0.00 0.00 52.86 49.89 2g0k s ASN 103 Cb 0.00 0.53 0.08 0.00 -3.03 0.00 0.00 41.25 38.83 2g0k s ASN 103 CO 0.00 -0.96 1.10 0.61 -2.03 0.00 0.00 177.10 175.83 2g0k n GLY 104 N -0.87 0.15 3.76 0.45 0.00 -1.25 -2.32 105.19 105.11 2g0k n GLY 104 Ca -0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 1.55 -0.37 1.61 0.04 -1.26 -4.34 135.00 130.23 2g0k s PRO 105 Ca 0.26 0.68 -0.42 0.00 0.04 0.00 0.00 61.00 61.57 2g0k s PRO 105 Cb -0.00 -1.85 -0.18 0.00 0.04 0.00 0.00 34.50 32.50 2g0k s PRO 105 CO -0.02 -2.00 1.37 -0.85 0.04 0.00 0.00 177.00 175.54 2g0k n GLU 106 N -3.70 0.00 -0.91 4.56 0.28 -0.75 -4.55 120.64 115.57 2g0k n GLU 106 Ca 0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.77 2g0k n GLU 106 Cb 0.56 -1.37 0.02 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 3.24 -2.99 3.12 -1.84 0.00 -1.26 -4.88 105.19 100.59 2g0k n GLY 107 Ca 0.27 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.58 3.13 -0.06 1.61 1.01 -1.16 -5.07 120.40 118.28 2g0k s VAL 108 Ca 0.40 -1.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.18 2g0k s VAL 108 Cb -0.30 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2g0k s VAL 108 CO 0.57 -0.55 0.88 0.00 0.00 0.00 0.00 175.10 176.01 2g0k s ALA 109 N 1.14 3.29 0.26 5.51 0.00 -1.26 -2.52 121.76 128.18 2g0k s ALA 109 Ca 0.05 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.40 2g0k s ALA 109 Cb -0.22 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2g0k s ALA 109 CO -0.04 -0.30 0.21 0.44 0.00 0.00 0.00 175.76 176.07 2g0k n ILE 110 N 4.07 0.00 -3.80 0.00 -5.35 0.94 -4.94 119.36 110.27 2g0k n ILE 110 Ca 0.04 -1.84 -0.00 0.00 -0.27 0.00 0.00 62.75 60.68 2g0k n ILE 110 Cb 0.50 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2g0k s SER 111 N -2.77 -0.05 -0.21 7.28 0.01 -1.15 -2.78 113.70 114.03 2g0k s SER 111 Ca 0.29 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.21 2g0k s SER 111 Cb 0.01 0.31 0.04 0.00 0.21 0.00 0.00 66.02 66.60 2g0k s SER 111 CO 0.21 -0.60 -0.11 -0.36 0.41 0.00 0.00 173.24 172.79 2g0k s PHE 112 N -2.42 2.57 0.00 2.43 0.40 -1.24 -2.52 117.98 117.21 2g0k s PHE 112 Ca 0.19 -1.70 0.00 0.00 -0.60 0.00 0.00 56.93 54.82 2g0k s PHE 112 Cb 0.00 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.83 2g0k s PHE 112 CO 0.00 -0.77 0.00 0.09 0.70 0.00 0.00 175.22 175.25