#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 3.47 1.14 0.00 0.00 -1.26 -4.61 121.76 120.49 2g0k s ALA 2 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 2g0k s ALA 2 Cb 0.00 -2.21 0.21 0.00 0.00 0.00 0.00 23.12 21.12 2g0k s ALA 2 CO 0.00 -0.21 0.85 -0.35 0.00 0.00 0.00 175.76 176.05 2g0k n PRO 3 N 4.34 -2.17 -3.25 0.00 -0.04 -1.26 -3.40 135.00 129.23 2g0k n PRO 3 Ca -0.15 -1.34 -0.43 0.00 -0.04 0.00 0.00 63.50 61.53 2g0k n PRO 3 Cb 0.52 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.63 5.00 0.04 0.52 2.01 -0.66 0.25 115.64 120.16 2g0k s THR 4 Ca 0.53 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.24 2g0k s THR 4 Cb -0.04 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2g0k s THR 4 CO 0.40 -0.56 -0.15 0.00 -0.69 0.00 0.00 174.62 173.61 2g0k s ALA 5 N 2.35 1.29 -0.35 7.40 0.00 -1.24 0.68 121.76 131.89 2g0k s ALA 5 Ca 0.14 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 2g0k s ALA 5 Cb -0.17 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2g0k s ALA 5 CO 0.14 0.26 0.19 0.95 0.00 0.00 0.00 175.76 177.29 2g0k s THR 6 N -0.81 4.57 0.07 0.00 -4.23 1.04 -4.80 115.64 111.48 2g0k s THR 6 Ca 0.03 -0.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2g0k s THR 6 Cb -0.08 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 2g0k s THR 6 CO 0.01 -0.14 0.04 -0.69 -0.54 0.00 0.00 174.62 173.31 2g0k s VAL 7 N 1.57 4.30 1.27 2.29 1.01 -1.25 -0.29 120.40 129.30 2g0k s VAL 7 Ca 0.03 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2g0k s VAL 7 Cb -0.18 -3.04 0.31 0.00 0.00 0.00 0.00 36.38 33.46 2g0k s VAL 7 CO 0.06 0.16 1.06 0.28 0.00 0.00 0.00 175.10 176.67 2g0k s THR 8 N -1.32 1.48 -0.18 3.92 -1.32 -0.04 -4.88 115.64 113.30 2g0k s THR 8 Ca 0.27 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 2g0k s THR 8 Cb -0.12 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2g0k s THR 8 CO 0.19 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.87 2g0k s PRO 9 N -5.33 4.05 -0.48 7.08 0.04 -1.26 -4.74 135.00 134.35 2g0k s PRO 9 Ca 0.71 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.46 2g0k s PRO 9 Cb -0.10 -3.90 0.43 0.00 0.04 0.00 0.00 34.50 30.97 2g0k s PRO 9 CO 0.56 -0.96 1.41 -1.13 0.04 0.00 0.00 177.00 176.92 2g0k n SER 10 N 7.37 5.64 -3.87 6.66 3.41 -1.26 -4.88 113.62 126.69 2g0k n SER 10 Ca 0.16 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 54.71 2g0k n SER 10 Cb 0.45 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.95 3.87 0.00 4.04 1.04 -1.24 -2.73 113.70 115.73 2g0k s SER 11 Ca 0.52 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2g0k s SER 11 Cb 0.43 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2g0k s SER 11 CO -0.12 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2g0k n GLY 12 N 4.72 1.11 3.73 7.32 0.00 -1.25 -4.89 105.19 115.92 2g0k n GLY 12 Ca -0.07 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 0.42 0.99 1.43 -1.26 -4.94 118.68 119.57 2g0k s LEU 13 Ca 0.00 0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 2g0k s LEU 13 Cb 0.00 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2g0k s LEU 13 CO 0.00 0.05 0.58 -0.55 0.23 0.00 0.00 176.35 176.66 2g0k s SER 14 N 0.53 5.70 0.34 2.29 0.15 -1.26 -4.92 113.70 116.53 2g0k s SER 14 Ca 0.21 -0.24 -0.27 0.00 0.70 0.00 0.00 55.95 56.35 2g0k s SER 14 Cb -0.14 -0.91 -0.13 0.00 -1.71 0.00 0.00 66.02 63.13 2g0k s SER 14 CO 0.07 -0.72 1.05 -0.90 1.20 0.00 0.00 173.24 173.93 2g0k n ASP 15 N -1.88 1.49 0.00 5.45 5.75 -1.26 -1.78 116.55 124.31 2g0k n ASP 15 Ca 0.05 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.97 2g0k n ASP 15 Cb 0.59 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 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 1.14 3.19 3.79 6.12 0.00 -1.25 -5.06 105.19 113.12 2g0k n GLY 16 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.90 3.52 -0.07 2.61 2.01 -0.73 -4.93 115.64 115.15 2g0k s THR 17 Ca 0.00 0.81 0.03 0.00 0.31 0.00 0.00 61.69 62.84 2g0k s THR 17 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.21 2g0k s THR 17 CO 0.00 -0.33 -0.15 0.54 -0.69 0.00 0.00 174.62 173.99 2g0k s VAL 18 N -2.17 1.34 0.45 3.82 0.11 -1.26 -1.48 120.40 121.22 2g0k s VAL 18 Ca 0.67 -0.62 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 2g0k s VAL 18 Cb -0.19 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 2g0k s VAL 18 CO 0.32 0.40 0.63 0.68 -3.33 0.00 0.00 175.10 173.80 2g0k s VAL 19 N 0.47 2.97 0.12 2.04 -7.23 -0.10 -4.89 120.40 113.78 2g0k s VAL 19 Ca -0.13 -0.89 0.09 0.00 -1.81 0.00 0.00 61.98 59.24 2g0k s VAL 19 Cb -0.15 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 2g0k s VAL 19 CO 0.04 -0.01 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.88 2g0k s LYS 20 N -4.46 1.73 -0.20 4.82 2.36 -1.26 -2.03 119.74 120.69 2g0k s LYS 20 Ca 0.55 -1.22 -0.04 0.00 -2.55 0.00 0.00 55.97 52.71 2g0k s LYS 20 Cb -0.10 -2.08 0.09 0.00 -1.05 0.00 0.00 37.83 34.69 2g0k s LYS 20 CO 0.35 0.47 0.20 0.54 1.55 0.00 0.00 175.35 178.46 2g0k s VAL 21 N -1.18 -0.29 -0.23 4.02 0.11 -0.60 -0.87 120.40 121.38 2g0k s VAL 21 Ca 0.18 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2g0k s VAL 21 Cb -0.10 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2g0k s VAL 21 CO 0.10 -0.24 -0.12 0.00 -3.33 0.00 0.00 175.10 171.50 2g0k s ALA 22 N 2.29 2.53 0.32 1.54 0.00 0.60 -2.01 121.76 127.04 2g0k s ALA 22 Ca 0.06 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 2g0k s ALA 22 Cb -0.16 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 2g0k s ALA 22 CO -0.13 -0.80 0.85 0.20 0.00 0.00 0.00 175.76 175.88 2g0k s GLY 23 N 1.23 2.57 -0.22 0.00 0.00 -1.03 0.34 107.32 110.21 2g0k s GLY 23 Ca -0.02 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.98 2g0k s GLY 23 CO -0.07 0.65 0.32 0.00 0.00 0.00 0.00 173.10 174.00 2g0k s ALA 24 N -1.80 -0.79 0.00 3.20 0.00 3.18 -3.17 121.76 122.38 2g0k s ALA 24 Ca 0.52 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2g0k s ALA 24 Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2g0k s ALA 24 CO 0.19 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.17 2g0k n GLY 25 N 5.35 1.08 3.94 0.00 0.00 -1.19 -1.66 105.19 112.72 2g0k n GLY 25 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2g0k n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 26 N 0.00 3.34 -0.33 0.99 1.02 -1.07 -4.76 118.68 117.86 2g0k s LEU 26 Ca 0.00 0.43 -0.41 0.00 0.02 0.00 0.00 54.13 54.17 2g0k s LEU 26 Cb 0.00 -3.27 -0.16 0.00 0.02 0.00 0.00 46.19 42.78 2g0k s LEU 26 CO 0.00 -1.01 1.73 0.00 0.02 0.00 0.00 176.35 177.10 2g0k n GLN 27 N -2.41 0.92 -2.38 1.70 6.02 -1.26 -4.55 117.38 115.42 2g0k n GLN 27 Ca 0.04 0.33 -0.42 0.00 -0.01 0.00 0.00 57.00 56.95 2g0k n GLN 27 Cb 0.58 -1.99 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2g0k s ALA 28 N 3.57 3.43 0.00 -1.58 0.00 -1.26 -2.32 121.76 123.59 2g0k s ALA 28 Ca 1.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2g0k s ALA 28 Cb -1.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2g0k s ALA 28 CO 0.69 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2g0k n GLY 29 N 3.04 0.42 3.88 0.00 0.00 -0.47 -4.91 105.19 107.15 2g0k n GLY 29 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.95 5.08 0.27 2.61 2.01 -0.98 -4.79 115.64 117.89 2g0k s THR 30 Ca 0.00 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 2g0k s THR 30 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 2g0k s THR 30 CO 0.00 0.10 0.61 0.00 -0.69 0.00 0.00 174.62 174.63 2g0k s ALA 31 N -1.61 3.50 0.04 7.40 0.00 -1.26 -1.10 121.76 128.72 2g0k s ALA 31 Ca 0.40 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2g0k s ALA 31 Cb -0.13 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 2g0k s ALA 31 CO 0.22 0.42 -0.05 0.71 0.00 0.00 0.00 175.76 177.05 2g0k s TYR 32 N -1.91 0.48 -0.20 0.00 2.02 -0.83 -4.45 117.35 112.46 2g0k s TYR 32 Ca 0.49 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2g0k s TYR 32 Cb -0.11 -0.31 0.03 0.00 -0.40 0.00 0.00 41.96 41.17 2g0k s TYR 32 CO 0.22 -0.17 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.34 2g0k s ASP 33 N -1.77 3.45 -0.07 2.29 1.11 -0.46 -3.10 116.67 118.13 2g0k s ASP 33 Ca -0.09 -0.84 -0.08 0.00 0.18 0.00 0.00 52.55 51.72 2g0k s ASP 33 Cb -0.07 -1.48 -0.04 0.00 1.07 0.00 0.00 42.92 42.39 2g0k s ASP 33 CO -0.02 -0.05 0.21 -0.69 1.18 0.00 0.00 175.17 175.80 2g0k s VAL 34 N 1.25 5.40 0.03 -1.27 1.01 -0.43 1.24 120.40 127.62 2g0k s VAL 34 Ca 0.01 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 2g0k s VAL 34 Cb -0.15 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.82 2g0k s VAL 34 CO -0.11 0.54 0.71 -0.83 0.00 0.00 0.00 175.10 175.42 2g0k s GLY 35 N -1.24 -0.55 -0.30 4.51 0.00 1.59 -0.81 107.32 110.52 2g0k s GLY 35 Ca 0.20 1.02 -0.09 0.00 0.00 0.00 0.00 44.72 45.85 2g0k s GLY 35 CO 0.09 0.56 0.12 1.62 0.00 0.00 0.00 173.10 175.49 2g0k s GLN 36 N -2.48 3.29 0.36 2.90 0.74 -1.25 -0.96 119.66 122.25 2g0k s GLN 36 Ca -0.03 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 54.71 2g0k s GLN 36 Cb -0.01 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.60 2g0k s GLN 36 CO -0.03 -0.41 0.42 0.00 -0.55 0.00 0.00 175.29 174.72 2g0k s ALA 38 N -2.29 -1.21 0.02 0.00 0.00 0.17 -2.78 121.76 115.67 2g0k s ALA 38 Ca 0.46 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.69 2g0k s ALA 38 Cb -0.07 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 22.04 2g0k s ALA 38 CO 0.29 -0.26 1.68 -0.46 0.00 0.00 0.00 175.76 177.01 2g0k s TRP 39 N 0.97 2.13 -0.23 0.00 -0.00 -1.26 -1.03 118.94 119.52 2g0k s TRP 39 Ca -0.06 0.19 -0.02 0.00 -0.00 0.00 0.00 56.10 56.21 2g0k s TRP 39 Cb -0.06 -3.97 -0.13 0.00 -0.00 0.00 0.00 33.47 29.31 2g0k s TRP 39 CO -0.08 -4.03 -0.23 1.33 -0.00 0.00 0.00 176.95 173.94 2g0k n VAL 40 N 5.11 1.28 -4.19 5.86 0.24 0.92 -4.78 118.33 122.78 2g0k n VAL 40 Ca 0.17 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.91 2g0k n VAL 40 Cb 0.41 -1.44 -0.10 0.00 -1.47 0.00 0.00 33.84 31.25 2g0k n VAL 40 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2g0k s ASP 41 N -6.43 0.55 -0.32 -1.34 1.01 0.17 -4.99 116.67 105.30 2g0k s ASP 41 Ca -0.31 -1.24 -0.36 0.00 0.71 0.00 0.00 52.55 51.35 2g0k s ASP 41 Cb 0.09 0.26 -0.12 0.00 1.01 0.00 0.00 42.92 44.16 2g0k s ASP 41 CO 0.49 -0.71 2.12 0.41 0.21 0.00 0.00 175.17 177.69 2g0k n THR 42 N -0.18 0.23 -0.97 -1.27 -1.04 -1.26 0.20 114.28 109.98 2g0k n THR 42 Ca -0.04 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2g0k n THR 42 Cb 0.64 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 6.17 0.29 3.11 3.41 0.00 -1.26 -4.97 105.19 111.94 2g0k n GLY 43 Ca 0.39 0.00 -0.33 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 -1.63 2.03 0.27 1.61 1.01 0.54 -5.09 120.40 119.14 2g0k s VAL 44 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.10 2g0k s VAL 44 Cb 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2g0k s VAL 44 CO 0.00 0.50 -0.11 -1.48 0.00 0.00 0.00 175.10 174.01 2g0k s LEU 45 N 1.29 2.55 0.10 3.92 0.05 -1.26 0.42 118.68 125.75 2g0k s LEU 45 Ca 0.04 -1.12 0.04 0.00 0.05 0.00 0.00 54.13 53.14 2g0k s LEU 45 Cb -0.13 -0.75 -0.04 0.00 -2.05 0.00 0.00 46.19 43.22 2g0k s LEU 45 CO -0.12 -0.22 -0.11 0.00 -0.55 0.00 0.00 176.35 175.35 2g0k s ALA 46 N -2.88 1.17 0.19 1.48 0.00 -0.20 -4.01 121.76 117.50 2g0k s ALA 46 Ca 0.28 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 51.11 2g0k s ALA 46 Cb 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2g0k s ALA 46 CO 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 175.76 175.79 2g0k s ASN 48 N -2.97 4.51 0.00 0.00 2.47 -1.06 0.14 114.94 118.04 2g0k s ASN 48 Ca 0.26 -1.12 0.20 0.00 0.42 0.00 0.00 52.86 52.62 2g0k s ASN 48 Cb -0.09 -1.65 1.17 0.00 -1.45 0.00 0.00 41.25 39.23 2g0k s ASN 48 CO 0.17 -0.18 1.56 -0.81 -3.72 0.00 0.00 177.10 174.11 2g0k n PRO 49 N 4.60 0.62 0.07 0.43 -0.04 -1.26 -2.06 135.00 137.36 2g0k n PRO 49 Ca -0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2g0k n PRO 49 Cb 0.45 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.99 2.88 -1.84 0.55 0.00 -1.26 -3.98 120.51 115.87 2g0k n ALA 50 Ca 0.15 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2g0k n ALA 50 Cb 0.07 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.27 1.46 -4.52 0.00 5.68 -0.88 -5.02 116.55 111.01 2g0k n ASP 51 Ca 0.02 -3.14 -0.38 0.00 -0.50 0.00 0.00 54.79 50.79 2g0k n ASP 51 Cb 0.48 -0.43 -0.11 0.00 -1.14 0.00 0.00 41.12 39.91 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2g0k s PHE 52 N -2.04 3.18 0.42 2.11 -0.12 -1.19 -3.84 117.98 116.50 2g0k s PHE 52 Ca 0.34 -0.16 0.05 0.00 -0.05 0.00 0.00 56.93 57.10 2g0k s PHE 52 Cb 0.34 -2.36 0.05 0.00 -0.63 0.00 0.00 43.02 40.42 2g0k s PHE 52 CO -0.08 -0.28 0.38 0.45 -0.05 0.00 0.00 175.22 175.63 2g0k n SER 53 N 5.02 2.13 -3.82 1.98 2.88 0.01 -4.96 113.62 116.86 2g0k n SER 53 Ca -0.14 -2.35 -0.11 0.00 -1.33 0.00 0.00 58.87 54.94 2g0k n SER 53 Cb 0.51 -0.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 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 -3.48 -0.02 0.02 -3.46 1.04 -1.26 -2.25 113.70 104.29 2g0k s SER 54 Ca 0.29 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 56.14 2g0k s SER 54 Cb -0.02 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.50 2g0k s SER 54 CO 0.18 -0.57 0.91 0.54 0.98 0.00 0.00 173.24 175.29 2g0k s VAL 55 N -2.50 0.00 -0.07 5.02 0.11 -1.18 -4.98 120.40 116.79 2g0k s VAL 55 Ca -0.05 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2g0k s VAL 55 Cb -0.01 -1.19 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2g0k s VAL 55 CO -0.03 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -3.13 1.39 0.47 5.04 2.01 -1.26 -1.96 115.64 118.19 2g0k s THR 56 Ca 0.06 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 2g0k s THR 56 Cb -0.01 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.19 2g0k s THR 56 CO -0.07 0.41 1.24 0.00 -0.69 0.00 0.00 174.62 175.51 2g0k s ALA 57 N 0.56 3.00 0.84 7.40 0.00 -0.26 -4.77 121.76 128.52 2g0k s ALA 57 Ca -0.15 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 2g0k s ALA 57 Cb -0.16 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.55 2g0k s ALA 57 CO 0.05 -0.87 0.29 -0.40 0.00 0.00 0.00 175.76 174.83 2g0k n ASP 58 N -0.49 0.11 0.24 0.00 5.68 -0.86 -2.36 116.55 118.88 2g0k n ASP 58 Ca 0.07 -1.16 0.09 0.00 -0.50 0.00 0.00 54.79 53.29 2g0k n ASP 58 Cb 0.46 -0.21 0.61 0.00 -1.14 0.00 0.00 41.12 40.84 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 -1.52 1.50 0.00 2.12 0.00 -1.91 0.43 119.26 119.88 2g0k h ALA 59 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2g0k h ALA 59 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2g0k h ALA 59 CO 0.07 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.61 2g0k n ASN 60 N -4.00 0.01 -0.39 0.00 4.13 -1.26 -4.76 115.26 108.99 2g0k n ASN 60 Ca -0.02 0.50 -0.03 0.00 1.68 0.00 0.00 54.58 56.71 2g0k n ASN 60 Cb 0.24 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 0.85 0.36 3.11 7.41 0.00 0.02 -4.77 105.19 112.17 2g0k n GLY 61 Ca 0.05 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.91 1.95 0.37 1.61 1.04 -1.26 -2.61 113.70 111.88 2g0k s SER 62 Ca 0.01 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.18 2g0k s SER 62 Cb -0.01 -0.47 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 2g0k s SER 62 CO 0.02 0.15 0.03 0.00 0.98 0.00 0.00 173.24 174.42 2g0k s ALA 63 N -0.02 2.80 -0.17 5.32 0.00 -1.19 -2.02 121.76 126.48 2g0k s ALA 63 Ca -0.02 -2.15 -0.07 0.00 0.00 0.00 0.00 51.96 49.72 2g0k s ALA 63 Cb -0.10 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.50 2g0k s ALA 63 CO 0.01 -0.21 0.37 -1.12 0.00 0.00 0.00 175.76 174.82 2g0k s SER 64 N -3.61 -0.23 0.12 0.00 0.01 -1.26 -2.45 113.70 106.29 2g0k s SER 64 Ca 0.35 0.85 -0.14 0.00 1.31 0.00 0.00 55.95 58.32 2g0k s SER 64 Cb 0.09 0.97 0.02 0.00 0.21 0.00 0.00 66.02 67.32 2g0k s SER 64 CO 0.17 -0.22 0.35 -0.89 0.41 0.00 0.00 173.24 173.06 2g0k s THR 65 N 2.09 0.09 -0.13 1.44 2.01 -0.85 -4.96 115.64 115.32 2g0k s THR 65 Ca -0.04 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2g0k s THR 65 Cb -0.11 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2g0k s THR 65 CO -0.12 -0.39 -0.14 -0.44 -0.69 0.00 0.00 174.62 172.85 2g0k s SER 66 N -2.82 3.96 -0.27 3.53 0.01 -1.26 -1.55 113.70 115.30 2g0k s SER 66 Ca 0.04 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2g0k s SER 66 Cb 0.03 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 2g0k s SER 66 CO -0.11 0.16 0.07 -0.22 0.41 0.00 0.00 173.24 173.55 2g0k s LEU 67 N 0.38 3.57 -0.05 2.44 1.98 -0.86 -4.85 118.68 121.28 2g0k s LEU 67 Ca -0.11 -0.41 -0.30 0.00 -2.89 0.00 0.00 54.13 50.42 2g0k s LEU 67 Cb -0.16 -1.90 -0.05 0.00 0.66 0.00 0.00 46.19 44.74 2g0k s LEU 67 CO 0.06 -0.10 1.61 0.28 -1.89 0.00 0.00 176.35 176.31 2g0k s THR 68 N 1.57 3.62 -0.10 3.68 -1.32 -1.26 -0.92 115.64 120.90 2g0k s THR 68 Ca 0.05 0.78 -0.30 0.00 -1.21 0.00 0.00 61.69 61.01 2g0k s THR 68 Cb -0.16 -3.50 -0.02 0.00 -1.51 0.00 0.00 72.50 67.31 2g0k s THR 68 CO 0.03 -0.06 1.17 0.54 -2.21 0.00 0.00 174.62 174.08 2g0k s VAL 69 N 3.86 4.38 0.22 5.08 0.11 -0.55 -4.90 120.40 128.60 2g0k s VAL 69 Ca 0.71 1.68 0.10 0.00 -2.93 0.00 0.00 61.98 61.55 2g0k s VAL 69 Cb -0.33 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2g0k s VAL 69 CO 0.28 -0.04 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.78 2g0k s ARG 70 N 2.49 2.00 -0.00 1.54 1.81 -1.26 -3.95 118.95 121.58 2g0k s ARG 70 Ca 0.54 -1.43 0.14 0.00 -1.72 0.00 0.00 55.73 53.25 2g0k s ARG 70 Cb -0.22 -2.06 -0.15 0.00 -0.45 0.00 0.00 34.95 32.06 2g0k s ARG 70 CO 0.19 0.39 0.56 2.89 -0.68 0.00 0.00 175.30 178.65 2g0k n ARG 71 N -0.33 2.33 -3.64 3.54 1.85 -1.26 -4.79 116.66 114.36 2g0k n ARG 71 Ca -0.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 57.85 56.72 2g0k n ARG 71 Cb 0.57 -1.16 -0.05 0.00 -1.05 0.00 0.00 32.46 30.77 2g0k n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2g0k s SER 72 N -2.39 -0.10 -0.03 2.89 0.15 -1.26 -0.12 113.70 112.83 2g0k s SER 72 Ca 0.04 0.14 -0.31 0.00 0.70 0.00 0.00 55.95 56.53 2g0k s SER 72 Cb 0.10 0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.66 2g0k s SER 72 CO 0.56 -0.07 1.32 0.72 1.20 0.00 0.00 173.24 176.97 2g0k s PHE 73 N -0.70 -0.02 -0.03 3.44 -0.12 -0.95 -4.97 117.98 114.62 2g0k s PHE 73 Ca 0.07 -0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 2g0k s PHE 73 Cb -0.02 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.83 2g0k s PHE 73 CO -0.09 -0.21 1.92 -1.83 -0.05 0.00 0.00 175.22 174.95 2g0k s GLU 74 N -2.27 3.99 -0.90 1.99 1.03 -1.26 -0.30 118.70 120.99 2g0k s GLU 74 Ca 0.17 2.39 -0.25 0.00 0.03 0.00 0.00 54.97 57.31 2g0k s GLU 74 Cb 0.05 -4.15 0.04 0.00 -0.80 0.00 0.00 34.13 29.27 2g0k s GLU 74 CO -0.04 -1.11 1.42 0.20 -1.33 0.00 0.00 175.26 174.40 2g0k s GLY 75 N 4.72 1.04 -0.68 -3.83 0.00 0.58 -4.11 107.32 105.04 2g0k s GLY 75 Ca 0.86 -1.84 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 2g0k s GLY 75 CO 0.38 2.73 1.10 -1.36 0.00 0.00 0.00 173.10 175.94 2g0k s PHE 76 N 5.61 2.52 0.48 1.90 0.08 0.38 -0.85 117.98 128.10 2g0k s PHE 76 Ca 0.44 -0.28 -0.23 0.00 0.12 0.00 0.00 56.93 56.98 2g0k s PHE 76 Cb -0.04 -4.42 -0.08 0.00 -0.57 0.00 0.00 43.02 37.91 2g0k s PHE 76 CO 0.01 -1.80 1.05 -0.11 -0.10 0.00 0.00 175.22 174.27 2g0k n LEU 77 N 8.39 3.29 -0.29 -0.37 7.94 -0.52 0.33 117.00 135.77 2g0k n LEU 77 Ca -0.00 0.98 0.12 0.00 -1.11 0.00 0.00 56.01 55.99 2g0k n LEU 77 Cb 0.47 -1.40 0.28 0.00 0.53 0.00 0.00 43.42 43.30 2g0k n LEU 77 CO 0.67 -1.41 0.99 -0.26 -1.11 0.00 0.00 177.39 176.26 2g0k h PHE 78 N 1.32 0.48 0.00 1.96 0.04 -1.89 1.95 116.94 120.79 2g0k h PHE 78 Ca -0.47 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2g0k h PHE 78 Cb 1.34 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.41 2g0k h PHE 78 CO 0.42 -0.12 0.05 0.22 -0.60 0.00 0.00 178.31 178.29 2g0k h ASP 79 N 0.30 0.00 0.00 2.17 1.82 -1.93 -3.44 116.42 115.34 2g0k h ASP 79 Ca 0.53 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 2g0k h ASP 79 Cb 1.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2g0k h ASP 79 CO -0.57 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.67 2g0k n GLY 80 N -1.23 1.33 3.47 -0.78 0.00 0.66 -5.07 105.19 103.56 2g0k n GLY 80 Ca -0.02 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 4.29 -0.78 2.61 2.01 -1.18 -4.85 115.64 115.73 2g0k s THR 81 Ca 0.00 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.56 2g0k s THR 81 Cb 0.00 -2.98 -0.12 0.00 0.01 0.00 0.00 72.50 69.41 2g0k s THR 81 CO 0.00 0.38 2.34 -0.60 -0.69 0.00 0.00 174.62 176.04 2g0k s ARG 82 N 1.27 1.78 0.04 4.92 3.52 -1.26 -1.43 118.95 127.80 2g0k s ARG 82 Ca 0.04 0.45 -0.32 0.00 -0.13 0.00 0.00 55.73 55.77 2g0k s ARG 82 Cb -0.15 -4.80 -0.18 0.00 -1.56 0.00 0.00 34.95 28.26 2g0k s ARG 82 CO 0.03 -4.19 1.42 2.35 -0.81 0.00 0.00 175.30 174.10 2g0k h TRP 83 N 13.07 -0.94 0.00 5.12 2.91 -1.37 -3.49 115.95 131.26 2g0k h TRP 83 Ca -0.01 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2g0k h TRP 83 Cb 1.02 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 2g0k h TRP 83 CO 1.15 -0.57 0.00 0.41 -1.03 0.00 0.00 178.44 178.40 2g0k n GLY 84 N -1.19 3.03 3.58 2.65 0.00 -1.22 -4.97 105.19 107.07 2g0k n GLY 84 Ca -0.14 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 3.03 0.41 2.61 2.01 -1.26 -0.30 115.64 120.13 2g0k s THR 85 Ca 0.00 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.81 2g0k s THR 85 Cb 0.00 -3.05 -0.11 0.00 0.01 0.00 0.00 72.50 69.35 2g0k s THR 85 CO 0.00 -0.04 0.94 0.54 -0.69 0.00 0.00 174.62 175.37 2g0k s VAL 86 N 9.92 4.37 -0.46 3.82 0.11 0.60 -4.83 120.40 133.92 2g0k s VAL 86 Ca 0.98 1.54 -0.05 0.00 -2.93 0.00 0.00 61.98 61.51 2g0k s VAL 86 Cb -0.26 -3.68 0.12 0.00 -1.53 0.00 0.00 36.38 31.04 2g0k s VAL 86 CO 0.31 -0.22 0.29 -1.81 -3.33 0.00 0.00 175.10 170.34 2g0k s ASP 87 N -2.07 5.45 0.57 3.54 1.01 -1.26 -2.25 116.67 121.65 2g0k s ASP 87 Ca 0.59 -2.09 0.29 0.00 0.71 0.00 0.00 52.55 52.05 2g0k s ASP 87 Cb -0.11 -1.91 1.46 0.00 1.01 0.00 0.00 42.92 43.38 2g0k s ASP 87 CO 0.15 -0.58 1.89 0.00 0.21 0.00 0.00 175.17 176.84 2g0k n THR 89 N -3.94 0.00 -0.01 0.00 -2.24 -1.22 -3.15 114.28 103.72 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 0.77 -0.45 -0.02 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 -0.94 0.14 -4.26 4.28 -1.04 0.60 -5.08 114.28 107.98 2g0k n THR 90 Ca 0.21 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 2g0k n THR 90 Cb 0.09 -0.47 -0.04 0.00 -1.82 0.00 0.00 70.33 68.09 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 -1.95 0.33 -2.74 2.41 0.00 -0.43 -5.05 120.51 113.08 2g0k n ALA 91 Ca -0.04 -1.14 -0.36 0.00 0.00 0.00 0.00 53.44 51.90 2g0k n ALA 91 Cb 0.43 0.79 -0.10 0.00 0.00 0.00 0.00 19.45 20.57 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 -2.63 3.51 0.12 0.00 0.00 -1.26 -4.62 121.76 116.87 2g0k s ALA 92 Ca 0.13 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2g0k s ALA 92 Cb 0.01 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2g0k s ALA 92 CO 0.09 -0.14 0.15 0.00 0.00 0.00 0.00 175.76 175.87 2g0k s GLN 94 N -2.82 0.57 0.31 0.00 -2.07 -1.12 0.13 119.66 114.66 2g0k s GLN 94 Ca 0.32 0.26 0.07 0.00 -1.82 0.00 0.00 55.36 54.19 2g0k s GLN 94 Cb -0.11 0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 2g0k s GLN 94 CO 0.24 -0.12 0.32 0.08 -1.32 0.00 0.00 175.29 174.50 2g0k s VAL 95 N -0.43 4.03 -0.06 3.63 1.01 -1.02 -1.21 120.40 126.36 2g0k s VAL 95 Ca -0.06 -1.25 -0.32 0.00 0.00 0.00 0.00 61.98 60.36 2g0k s VAL 95 Cb -0.03 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 33.12 2g0k s VAL 95 CO 0.02 -0.22 1.31 -0.83 0.00 0.00 0.00 175.10 175.38 2g0k s GLY 96 N -4.01 -0.41 0.29 4.51 0.00 -0.14 -3.54 107.32 104.03 2g0k s GLY 96 Ca 0.40 0.89 0.05 0.00 0.00 0.00 0.00 44.72 46.06 2g0k s GLY 96 CO 0.28 0.20 0.42 1.08 0.00 0.00 0.00 173.10 175.08 2g0k s LEU 97 N -2.85 4.15 -0.23 0.66 1.02 0.56 0.45 118.68 122.44 2g0k s LEU 97 Ca 0.14 -0.00 -0.07 0.00 0.02 0.00 0.00 54.13 54.21 2g0k s LEU 97 Cb 0.04 -2.85 0.11 0.00 0.02 0.00 0.00 46.19 43.51 2g0k s LEU 97 CO -0.04 -0.24 0.47 -0.44 0.02 0.00 0.00 176.35 176.12 2g0k s SER 98 N -4.06 -0.45 0.00 2.29 0.01 10.41 -3.95 113.70 117.94 2g0k s SER 98 Ca 0.39 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2g0k s SER 98 Cb -0.09 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.71 2g0k s SER 98 CO 0.30 -0.24 0.00 -0.90 0.41 0.00 0.00 173.24 172.82 2g0k n ASP 99 N 5.40 1.35 0.33 2.44 5.75 -1.26 -1.35 116.55 129.22 2g0k n ASP 99 Ca -0.08 -0.79 0.14 0.00 -0.01 0.00 0.00 54.79 54.04 2g0k n ASP 99 Cb 0.49 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.32 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 0.74 1.39 0.00 2.12 0.00 -1.99 0.62 119.26 122.14 2g0k h ALA 100 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2g0k h ALA 100 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2g0k h ALA 100 CO 0.00 -0.39 -1.94 0.00 0.00 0.00 0.00 179.25 176.92 2g0k n ALA 101 N -1.85 2.29 -0.88 0.00 0.00 -1.26 -5.00 120.51 113.82 2g0k n ALA 101 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2g0k n ALA 101 Cb 0.43 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2g0k n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g0k n GLY 102 N 1.65 0.60 0.00 0.00 0.00 0.22 -5.06 105.19 102.59 2g0k n GLY 102 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2g0k n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g0k n ASN 103 N 1.47 0.00 0.00 1.61 2.04 -1.26 -4.65 115.26 114.47 2g0k n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2g0k n ASN 103 Cb 0.07 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 2g0k n ASN 103 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2g0k n GLY 104 N 0.03 4.40 3.76 4.83 0.00 -1.26 -4.09 105.19 112.86 2g0k n GLY 104 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.37 1.59 -0.19 1.61 0.04 -1.26 -4.03 135.00 129.39 2g0k s PRO 105 Ca 0.00 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 2g0k s PRO 105 Cb 0.00 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 2g0k s PRO 105 CO 0.00 -1.98 0.92 -0.85 0.04 0.00 0.00 177.00 175.13 2g0k n GLU 106 N -3.69 0.00 -1.27 4.56 0.28 0.14 -4.20 120.64 116.47 2g0k n GLU 106 Ca 0.07 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.60 2g0k n GLU 106 Cb 0.56 -1.02 -0.05 0.00 1.43 0.00 0.00 31.44 32.36 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 1.96 -0.75 3.23 -1.84 0.00 -1.26 -4.76 105.19 101.76 2g0k n GLY 107 Ca 0.18 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.35 3.94 0.21 1.61 1.01 -1.23 -5.08 120.40 120.52 2g0k s VAL 108 Ca 0.70 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 2g0k s VAL 108 Cb -0.98 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 2g0k s VAL 108 CO 0.49 -0.53 0.69 0.00 0.00 0.00 0.00 175.10 175.76 2g0k s ALA 109 N 1.35 3.44 0.26 5.51 0.00 -1.26 -2.43 121.76 128.64 2g0k s ALA 109 Ca 0.03 0.10 0.11 0.00 0.00 0.00 0.00 51.96 52.20 2g0k s ALA 109 Cb -0.23 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2g0k s ALA 109 CO 0.00 0.35 -0.10 0.42 0.00 0.00 0.00 175.76 176.44 2g0k s ILE 110 N -1.54 3.01 -0.15 0.00 1.01 0.35 -4.91 121.20 118.98 2g0k s ILE 110 Ca 0.43 -2.10 -0.04 0.00 0.00 0.00 0.00 60.65 58.94 2g0k s ILE 110 Cb -0.16 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.79 2g0k s ILE 110 CO 0.20 -0.36 0.19 -0.55 0.00 0.00 0.00 174.94 174.42 2g0k s SER 111 N -3.52 1.10 -0.23 3.58 0.15 -1.11 -4.05 113.70 109.62 2g0k s SER 111 Ca 0.30 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 56.90 2g0k s SER 111 Cb -0.06 0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2g0k s SER 111 CO 0.17 -0.29 0.15 -0.36 1.20 0.00 0.00 173.24 174.12 2g0k s PHE 112 N 2.31 3.34 0.00 3.44 0.40 -1.26 -3.67 117.98 122.53 2g0k s PHE 112 Ca 0.04 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 2g0k s PHE 112 Cb -0.14 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.15 2g0k s PHE 112 CO -0.09 0.12 0.00 0.09 0.70 0.00 0.00 175.22 176.04