#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 3.27 1.16 0.00 0.00 -1.26 -4.72 121.76 120.20 2g0k s ALA 2 Ca 0.00 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 2g0k s ALA 2 Cb 0.00 -3.88 0.24 0.00 0.00 0.00 0.00 23.12 19.48 2g0k s ALA 2 CO 0.00 -1.97 0.96 -0.35 0.00 0.00 0.00 175.76 174.40 2g0k n PRO 3 N 7.79 -2.36 -3.60 0.00 -0.04 -1.26 -4.23 135.00 131.30 2g0k n PRO 3 Ca 0.21 -1.53 -0.39 0.00 -0.04 0.00 0.00 63.50 61.75 2g0k n PRO 3 Cb 0.44 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.85 4.92 0.05 0.52 -1.32 -0.83 -0.96 115.64 115.17 2g0k s THR 4 Ca 0.60 -0.31 0.05 0.00 -1.21 0.00 0.00 61.69 60.83 2g0k s THR 4 Cb -0.05 -3.51 -0.02 0.00 -1.51 0.00 0.00 72.50 67.41 2g0k s THR 4 CO 0.45 0.04 -0.14 0.00 -2.21 0.00 0.00 174.62 172.77 2g0k s ALA 5 N 1.67 1.15 -0.31 11.08 0.00 -1.24 0.47 121.76 134.58 2g0k s ALA 5 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 2g0k s ALA 5 Cb -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2g0k s ALA 5 CO 0.08 0.20 0.16 0.95 0.00 0.00 0.00 175.76 177.16 2g0k s THR 6 N -0.97 4.71 0.07 0.00 -4.23 0.86 -4.81 115.64 111.28 2g0k s THR 6 Ca 0.00 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.19 2g0k s THR 6 Cb -0.08 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2g0k s THR 6 CO 0.01 0.06 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.39 2g0k s VAL 7 N 1.63 3.51 1.22 2.29 1.01 -1.24 -0.18 120.40 128.64 2g0k s VAL 7 Ca 0.05 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2g0k s VAL 7 Cb -0.17 -2.61 0.29 0.00 0.00 0.00 0.00 36.38 33.89 2g0k s VAL 7 CO 0.07 0.19 1.06 0.28 0.00 0.00 0.00 175.10 176.70 2g0k s THR 8 N -1.16 1.61 -0.20 3.92 -1.32 -0.19 -4.87 115.64 113.43 2g0k s THR 8 Ca 0.21 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.40 2g0k s THR 8 Cb -0.11 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 2g0k s THR 8 CO 0.13 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.82 2g0k s PRO 9 N -5.20 4.02 -0.63 7.08 0.04 -1.26 -4.72 135.00 134.33 2g0k s PRO 9 Ca 0.69 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.40 2g0k s PRO 9 Cb -0.13 -3.91 0.39 0.00 0.04 0.00 0.00 34.50 30.89 2g0k s PRO 9 CO 0.57 -1.01 1.57 -1.13 0.04 0.00 0.00 177.00 177.04 2g0k n SER 10 N 7.49 6.12 -3.88 6.66 3.41 -1.26 -4.88 113.62 127.28 2g0k n SER 10 Ca 0.16 -3.78 -0.30 0.00 -0.26 0.00 0.00 58.87 54.69 2g0k n SER 10 Cb 0.45 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.36 3.92 0.00 4.04 1.04 -1.20 -1.79 113.70 117.35 2g0k s SER 11 Ca 0.51 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2g0k s SER 11 Cb 0.42 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 65.44 2g0k s SER 11 CO -0.28 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2g0k n GLY 12 N 4.69 1.15 3.66 7.32 0.00 -1.24 -4.75 105.19 116.02 2g0k n GLY 12 Ca -0.07 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 3.88 0.00 0.99 1.43 -1.26 -4.84 118.68 118.88 2g0k s LEU 13 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2g0k s LEU 13 Cb 0.00 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2g0k s LEU 13 CO 0.00 0.21 0.04 -1.20 0.23 0.00 0.00 176.35 175.63 2g0k n SER 14 N 3.32 3.31 -4.52 2.29 7.64 -1.26 -4.83 113.62 119.56 2g0k n SER 14 Ca -0.17 -3.13 -0.47 0.00 1.01 0.00 0.00 58.87 56.11 2g0k n SER 14 Cb 0.52 0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 2g0k n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2g0k n ASP 15 N -1.35 0.43 0.00 6.43 5.68 -1.26 -1.54 116.55 124.94 2g0k n ASP 15 Ca -0.19 1.16 0.00 0.00 -0.50 0.00 0.00 54.79 55.26 2g0k n ASP 15 Cb 0.62 -1.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g0k n GLY 16 N 1.60 3.04 3.86 6.12 0.00 -1.25 -5.02 105.19 113.53 2g0k n GLY 16 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 4.78 -0.09 2.61 2.01 -0.59 -4.99 115.64 116.61 2g0k s THR 17 Ca 0.00 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 2g0k s THR 17 Cb 0.00 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2g0k s THR 17 CO 0.00 -0.21 -0.05 0.54 -0.69 0.00 0.00 174.62 174.20 2g0k s VAL 18 N -2.00 0.80 0.74 3.82 0.11 -1.26 -1.49 120.40 121.12 2g0k s VAL 18 Ca 0.51 -0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.29 2g0k s VAL 18 Cb -0.10 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2g0k s VAL 18 CO 0.21 0.32 1.11 0.68 -3.33 0.00 0.00 175.10 174.10 2g0k s VAL 19 N 1.64 2.84 0.05 2.04 -7.23 0.39 -4.88 120.40 115.25 2g0k s VAL 19 Ca 0.02 0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.48 2g0k s VAL 19 Cb -0.13 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 2g0k s VAL 19 CO -0.06 -0.33 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.46 2g0k s LYS 20 N -5.42 2.03 -0.13 4.82 2.36 -1.26 -1.56 119.74 120.58 2g0k s LYS 20 Ca 0.59 -1.01 -0.04 0.00 -2.55 0.00 0.00 55.97 52.97 2g0k s LYS 20 Cb -0.11 -2.17 0.05 0.00 -1.05 0.00 0.00 37.83 34.55 2g0k s LYS 20 CO 0.50 0.53 0.08 0.14 1.55 0.00 0.00 175.35 178.15 2g0k s VAL 21 N -0.94 -0.08 -0.20 4.02 -7.23 -0.66 -1.03 120.40 114.28 2g0k s VAL 21 Ca 0.15 -0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2g0k s VAL 21 Cb -0.10 -0.46 0.04 0.00 0.56 0.00 0.00 36.38 36.41 2g0k s VAL 21 CO 0.05 -0.15 -0.11 0.00 -0.31 0.00 0.00 175.10 174.59 2g0k s ALA 22 N 2.14 2.02 0.35 1.32 0.00 0.74 -2.12 121.76 126.22 2g0k s ALA 22 Ca 0.03 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 2g0k s ALA 22 Cb -0.15 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.59 2g0k s ALA 22 CO -0.07 -0.80 0.88 0.20 0.00 0.00 0.00 175.76 175.96 2g0k s GLY 23 N 1.39 2.51 -0.21 0.00 0.00 -0.98 0.30 107.32 110.33 2g0k s GLY 23 Ca -0.01 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 2g0k s GLY 23 CO -0.08 0.64 0.37 0.00 0.00 0.00 0.00 173.10 174.03 2g0k s ALA 24 N -1.92 -1.01 0.00 3.20 0.00 1.71 -2.82 121.76 120.92 2g0k s ALA 24 Ca 0.55 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2g0k s ALA 24 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2g0k s ALA 24 CO 0.18 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2g0k n GLY 25 N 5.37 0.81 3.90 0.00 0.00 -1.10 -1.97 105.19 112.21 2g0k n GLY 25 Ca -0.06 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.67 0.99 4.32 -1.04 -4.73 117.00 111.86 2g0k n LEU 26 Ca 0.00 -1.96 -0.43 0.00 -0.02 0.00 0.00 56.01 53.60 2g0k n LEU 26 Cb 0.00 -0.74 -0.03 0.00 -1.62 0.00 0.00 43.42 41.02 2g0k n LEU 26 CO 0.00 -1.11 1.57 0.00 -1.22 0.00 0.00 177.39 176.63 2g0k n GLN 27 N -3.10 2.74 -2.42 3.23 6.02 -1.26 -4.60 117.38 117.99 2g0k n GLN 27 Ca 0.17 1.00 -0.42 0.00 -0.01 0.00 0.00 57.00 57.74 2g0k n GLN 27 Cb 0.59 -2.93 -0.03 0.00 1.02 0.00 0.00 30.24 28.89 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 4.14 3.40 0.00 -1.58 0.00 -1.26 -2.42 121.76 124.05 2g0k s ALA 28 Ca 0.89 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2g0k s ALA 28 Cb -0.49 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2g0k s ALA 28 CO 0.43 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2g0k n GLY 29 N 2.81 0.43 3.83 0.00 0.00 0.10 -4.92 105.19 107.44 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 -2.02 5.01 0.34 2.61 2.01 -1.01 -4.80 115.64 117.78 2g0k s THR 30 Ca 0.00 0.88 -0.15 0.00 0.31 0.00 0.00 61.69 62.73 2g0k s THR 30 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2g0k s THR 30 CO 0.00 0.56 0.77 0.00 -0.69 0.00 0.00 174.62 175.26 2g0k s ALA 31 N -0.99 3.29 0.01 7.40 0.00 -1.26 -1.68 121.76 128.53 2g0k s ALA 31 Ca 0.24 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2g0k s ALA 31 Cb -0.17 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 2g0k s ALA 31 CO 0.14 0.27 -0.07 0.71 0.00 0.00 0.00 175.76 176.81 2g0k s TYR 32 N -2.05 0.59 -0.31 0.00 2.02 -0.56 -4.06 117.35 112.98 2g0k s TYR 32 Ca 0.55 -0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 56.91 2g0k s TYR 32 Cb -0.10 -0.37 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 2g0k s TYR 32 CO 0.18 -0.03 0.13 0.34 -1.57 0.00 0.00 175.55 174.60 2g0k s ASP 33 N -0.69 5.42 -0.12 2.29 -1.08 0.96 -3.05 116.67 120.40 2g0k s ASP 33 Ca -0.02 -0.66 -0.07 0.00 -0.52 0.00 0.00 52.55 51.28 2g0k s ASP 33 Cb -0.05 -1.96 -0.04 0.00 -1.46 0.00 0.00 42.92 39.41 2g0k s ASP 33 CO 0.00 -0.22 0.14 -0.69 0.52 0.00 0.00 175.17 174.92 2g0k s VAL 34 N 1.56 5.48 0.09 1.11 1.01 -0.02 1.27 120.40 130.90 2g0k s VAL 34 Ca 0.03 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 2g0k s VAL 34 Cb -0.17 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.90 2g0k s VAL 34 CO 0.05 0.61 0.87 -0.83 0.00 0.00 0.00 175.10 175.81 2g0k s GLY 35 N -0.97 -0.37 -0.39 4.51 0.00 3.35 -0.50 107.32 112.96 2g0k s GLY 35 Ca 0.15 0.52 -0.06 0.00 0.00 0.00 0.00 44.72 45.32 2g0k s GLY 35 CO 0.04 0.16 0.18 1.62 0.00 0.00 0.00 173.10 175.10 2g0k s GLN 36 N -3.31 2.45 -0.04 2.90 0.74 -1.25 -0.07 119.66 121.08 2g0k s GLN 36 Ca 0.08 -1.47 -0.01 0.00 0.05 0.00 0.00 55.36 54.01 2g0k s GLN 36 Cb -0.01 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2g0k s GLN 36 CO -0.04 -0.89 0.03 0.00 -0.55 0.00 0.00 175.29 173.84 2g0k s ALA 38 N -1.03 1.89 -0.01 0.00 0.00 0.54 -1.39 121.76 121.76 2g0k s ALA 38 Ca 0.18 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 2g0k s ALA 38 Cb -0.12 -0.73 -0.07 0.00 0.00 0.00 0.00 23.12 22.21 2g0k s ALA 38 CO 0.08 0.24 1.69 -0.46 0.00 0.00 0.00 175.76 177.30 2g0k s TRP 39 N 0.43 2.01 -0.24 0.00 -0.00 -1.24 -0.41 118.94 119.49 2g0k s TRP 39 Ca -0.17 0.15 -0.03 0.00 -0.00 0.00 0.00 56.10 56.05 2g0k s TRP 39 Cb -0.17 -3.96 -0.14 0.00 -0.00 0.00 0.00 33.47 29.19 2g0k s TRP 39 CO 0.07 -4.04 -0.25 1.33 -0.00 0.00 0.00 176.95 174.07 2g0k n VAL 40 N 5.29 1.37 -4.24 5.86 0.24 0.75 -4.80 118.33 122.80 2g0k n VAL 40 Ca 0.17 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 2g0k n VAL 40 Cb 0.42 -1.49 -0.10 0.00 -1.47 0.00 0.00 33.84 31.20 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 -6.60 0.49 -0.24 -1.34 1.11 0.32 -5.00 116.67 105.41 2g0k s ASP 41 Ca -0.33 -1.39 -0.33 0.00 0.18 0.00 0.00 52.55 50.69 2g0k s ASP 41 Cb 0.10 0.31 -0.09 0.00 1.07 0.00 0.00 42.92 44.30 2g0k s ASP 41 CO 0.52 -0.80 2.13 0.41 1.18 0.00 0.00 175.17 178.60 2g0k n THR 42 N -0.33 0.34 -0.98 -1.27 -1.04 -1.26 0.88 114.28 110.62 2g0k n THR 42 Ca 0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2g0k n THR 42 Cb 0.66 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 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 5.75 0.29 2.97 3.41 0.00 -1.26 -4.96 105.19 111.39 2g0k n GLY 43 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.64 1.82 -0.03 1.61 1.01 0.25 -5.09 120.40 118.33 2g0k s VAL 44 Ca 0.00 -1.70 0.07 0.00 0.00 0.00 0.00 61.98 60.35 2g0k s VAL 44 Cb 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2g0k s VAL 44 CO 0.00 -0.33 -0.24 -1.48 0.00 0.00 0.00 175.10 173.06 2g0k s LEU 45 N 1.20 2.04 0.35 3.92 2.34 -1.26 0.12 118.68 127.39 2g0k s LEU 45 Ca 0.01 -0.45 -0.02 0.00 0.06 0.00 0.00 54.13 53.72 2g0k s LEU 45 Cb -0.19 -1.26 -0.04 0.00 -0.56 0.00 0.00 46.19 44.14 2g0k s LEU 45 CO -0.09 0.27 0.59 0.00 -1.06 0.00 0.00 176.35 176.06 2g0k s ALA 46 N -0.41 3.62 0.10 1.48 0.00 0.46 -3.67 121.76 123.33 2g0k s ALA 46 Ca 0.05 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.39 2g0k s ALA 46 Cb -0.11 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 2g0k s ALA 46 CO 0.01 0.01 -0.24 0.00 0.00 0.00 0.00 175.76 175.54 2g0k s ASN 48 N -1.82 5.31 0.00 0.00 2.47 -0.93 0.28 114.94 120.25 2g0k s ASN 48 Ca 0.15 -1.48 0.20 0.00 0.42 0.00 0.00 52.86 52.14 2g0k s ASN 48 Cb -0.10 -1.86 1.13 0.00 -1.45 0.00 0.00 41.25 38.97 2g0k s ASN 48 CO 0.06 -0.42 1.57 -0.81 -3.72 0.00 0.00 177.10 173.78 2g0k n PRO 49 N 4.75 0.54 0.01 0.43 -0.04 -1.26 -2.01 135.00 137.43 2g0k n PRO 49 Ca -0.09 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2g0k n PRO 49 Cb 0.43 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.06 3.46 -2.07 0.55 0.00 -1.26 -3.97 120.51 116.16 2g0k n ALA 50 Ca 0.14 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.28 2g0k n ALA 50 Cb 0.09 -1.11 0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.63 1.12 -4.58 0.00 8.00 -0.85 -5.04 116.55 113.57 2g0k n ASP 51 Ca 0.05 -2.56 -0.39 0.00 0.71 0.00 0.00 54.79 52.60 2g0k n ASP 51 Cb 0.36 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.05 3.23 0.34 1.24 -0.12 -1.17 -3.84 117.98 116.60 2g0k s PHE 52 Ca 0.29 0.13 0.02 0.00 -0.05 0.00 0.00 56.93 57.33 2g0k s PHE 52 Cb 0.31 -2.47 0.02 0.00 -0.63 0.00 0.00 43.02 40.25 2g0k s PHE 52 CO -0.10 -0.23 0.20 0.45 -0.05 0.00 0.00 175.22 175.49 2g0k n SER 53 N 5.17 2.28 -3.89 1.98 2.88 0.35 -4.96 113.62 117.43 2g0k n SER 53 Ca -0.12 -2.24 -0.10 0.00 -1.33 0.00 0.00 58.87 55.08 2g0k n SER 53 Cb 0.51 0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 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 -2.97 0.09 -0.05 -3.46 1.04 -1.26 -2.37 113.70 104.71 2g0k s SER 54 Ca 0.15 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 2g0k s SER 54 Cb -0.01 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.45 2g0k s SER 54 CO 0.10 -0.47 0.89 0.54 0.98 0.00 0.00 173.24 175.27 2g0k s VAL 55 N -2.14 0.00 -0.00 5.02 0.11 -1.17 -4.97 120.40 117.24 2g0k s VAL 55 Ca -0.09 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2g0k s VAL 55 Cb -0.04 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2g0k s VAL 55 CO -0.02 0.00 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.68 2g0k s THR 56 N -2.41 1.41 0.21 5.04 2.01 -1.26 -1.50 115.64 119.14 2g0k s THR 56 Ca 0.01 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 2g0k s THR 56 Cb -0.01 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2g0k s THR 56 CO -0.04 0.34 0.97 0.00 -0.69 0.00 0.00 174.62 175.20 2g0k s ALA 57 N -0.49 3.32 1.07 7.40 0.00 -0.68 -4.70 121.76 127.69 2g0k s ALA 57 Ca 0.07 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 2g0k s ALA 57 Cb -0.07 -3.25 0.12 0.00 0.00 0.00 0.00 23.12 19.92 2g0k s ALA 57 CO -0.00 0.09 0.52 -0.40 0.00 0.00 0.00 175.76 175.97 2g0k n ASP 58 N 1.86 -0.93 0.27 0.00 5.68 -0.87 -0.72 116.55 121.85 2g0k n ASP 58 Ca -0.01 -0.95 0.13 0.00 -0.50 0.00 0.00 54.79 53.47 2g0k n ASP 58 Cb 0.47 -0.45 0.78 0.00 -1.14 0.00 0.00 41.12 40.78 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 -2.17 1.36 0.00 2.12 0.00 -1.91 0.74 119.26 119.40 2g0k h ALA 59 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2g0k h ALA 59 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2g0k h ALA 59 CO 0.12 0.11 0.00 -1.71 0.00 0.00 0.00 179.25 177.77 2g0k n ASN 60 N -3.71 0.00 -0.72 0.00 5.15 -1.26 -4.79 115.26 109.92 2g0k n ASN 60 Ca -0.02 0.25 -0.06 0.00 -0.60 0.00 0.00 54.58 54.16 2g0k n ASN 60 Cb 0.19 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 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 0.73 0.20 3.09 8.20 0.00 0.19 -4.73 105.19 112.87 2g0k n GLY 61 Ca 0.08 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.79 2.00 0.34 1.61 1.04 -1.26 -2.51 113.70 112.14 2g0k s SER 62 Ca 0.02 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.20 2g0k s SER 62 Cb -0.01 -0.70 -0.07 0.00 0.10 0.00 0.00 66.02 65.34 2g0k s SER 62 CO 0.03 0.11 -0.05 0.00 0.98 0.00 0.00 173.24 174.30 2g0k s ALA 63 N 0.28 2.84 -0.15 5.32 0.00 -1.13 -2.04 121.76 126.88 2g0k s ALA 63 Ca -0.08 -2.10 -0.09 0.00 0.00 0.00 0.00 51.96 49.69 2g0k s ALA 63 Cb -0.13 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2g0k s ALA 63 CO 0.03 -0.03 0.36 -1.12 0.00 0.00 0.00 175.76 175.00 2g0k s SER 64 N -3.59 -0.42 0.11 0.00 0.01 -1.26 -2.31 113.70 106.24 2g0k s SER 64 Ca 0.33 0.76 -0.26 0.00 1.31 0.00 0.00 55.95 58.09 2g0k s SER 64 Cb 0.05 0.66 0.07 0.00 0.21 0.00 0.00 66.02 67.02 2g0k s SER 64 CO 0.16 -0.17 0.90 -0.89 0.41 0.00 0.00 173.24 173.65 2g0k s THR 65 N 1.15 0.00 -0.07 1.44 2.01 -0.90 -4.93 115.64 114.34 2g0k s THR 65 Ca -0.08 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2g0k s THR 65 Cb -0.08 -1.62 -0.00 0.00 0.01 0.00 0.00 72.50 70.81 2g0k s THR 65 CO -0.09 0.00 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.18 2g0k s SER 66 N -2.78 2.73 -0.25 3.53 0.01 -1.26 -1.65 113.70 114.01 2g0k s SER 66 Ca 0.09 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.82 2g0k s SER 66 Cb -0.01 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 2g0k s SER 66 CO -0.02 0.17 0.03 -0.22 0.41 0.00 0.00 173.24 173.61 2g0k s LEU 67 N 0.17 3.36 0.39 2.44 1.98 -0.60 -4.90 118.68 121.53 2g0k s LEU 67 Ca -0.11 -0.45 -0.26 0.00 -2.89 0.00 0.00 54.13 50.42 2g0k s LEU 67 Cb -0.15 -1.83 -0.09 0.00 0.66 0.00 0.00 46.19 44.78 2g0k s LEU 67 CO 0.05 -0.08 1.22 0.28 -1.89 0.00 0.00 176.35 175.93 2g0k s THR 68 N 1.52 2.97 -0.15 3.68 -1.32 -1.26 -0.46 115.64 120.62 2g0k s THR 68 Ca 0.05 0.85 -0.05 0.00 -1.21 0.00 0.00 61.69 61.33 2g0k s THR 68 Cb -0.15 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.31 2g0k s THR 68 CO 0.00 0.11 0.00 -0.69 -2.21 0.00 0.00 174.62 171.83 2g0k s VAL 69 N -1.34 4.25 0.16 5.08 1.01 -0.55 -4.84 120.40 124.17 2g0k s VAL 69 Ca 0.56 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.41 2g0k s VAL 69 Cb -0.34 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2g0k s VAL 69 CO 0.43 0.50 -0.23 -0.13 0.00 0.00 0.00 175.10 175.67 2g0k s ARG 70 N 0.18 1.56 0.02 2.72 3.00 -1.26 -3.92 118.95 121.24 2g0k s ARG 70 Ca 0.01 -1.39 0.26 0.00 0.00 0.00 0.00 55.73 54.61 2g0k s ARG 70 Cb -0.13 -1.93 0.68 0.00 0.00 0.00 0.00 34.95 33.56 2g0k s ARG 70 CO 0.02 0.43 1.54 2.89 0.00 0.00 0.00 175.30 180.18 2g0k n ARG 71 N 0.57 0.04 -3.61 3.54 1.85 -1.26 -4.52 116.66 113.26 2g0k n ARG 71 Ca -0.15 0.01 -0.06 0.00 -1.00 0.00 0.00 57.85 56.65 2g0k n ARG 71 Cb 0.54 -1.53 -0.05 0.00 -1.05 0.00 0.00 32.46 30.38 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2g0k s SER 72 N -3.16 -0.20 -0.23 2.89 1.04 -1.26 0.52 113.70 113.31 2g0k s SER 72 Ca 0.11 0.23 -0.36 0.00 0.48 0.00 0.00 55.95 56.41 2g0k s SER 72 Cb 0.17 0.18 0.15 0.00 0.10 0.00 0.00 66.02 66.62 2g0k s SER 72 CO 0.66 -0.18 1.27 0.72 0.98 0.00 0.00 173.24 176.69 2g0k s PHE 73 N -0.99 -0.09 -0.18 5.02 -0.12 -0.63 -4.94 117.98 116.06 2g0k s PHE 73 Ca 0.04 0.07 -0.30 0.00 -0.05 0.00 0.00 56.93 56.69 2g0k s PHE 73 Cb -0.01 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.82 2g0k s PHE 73 CO -0.04 -0.14 2.16 -0.85 -0.05 0.00 0.00 175.22 176.30 2g0k n GLU 74 N 0.01 2.06 -2.19 1.99 0.28 -1.26 -0.03 120.64 121.50 2g0k n GLU 74 Ca 0.02 0.62 -0.35 0.00 -0.16 0.00 0.00 57.16 57.29 2g0k n GLU 74 Cb 0.58 -3.09 -0.04 0.00 1.43 0.00 0.00 31.44 30.32 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 7.27 0.44 -0.75 -1.84 0.00 0.24 -4.11 107.32 108.57 2g0k s GLY 75 Ca 0.99 -1.33 -0.25 0.00 0.00 0.00 0.00 44.72 44.13 2g0k s GLY 75 CO 0.39 3.24 1.20 -1.36 0.00 0.00 0.00 173.10 176.56 2g0k s PHE 76 N 8.41 2.45 0.20 1.90 0.08 0.79 -1.01 117.98 130.80 2g0k s PHE 76 Ca 0.61 -0.31 -0.32 0.00 0.12 0.00 0.00 56.93 57.02 2g0k s PHE 76 Cb -0.08 -4.53 -0.14 0.00 -0.57 0.00 0.00 43.02 37.71 2g0k s PHE 76 CO 0.07 -1.92 1.48 -0.11 -0.10 0.00 0.00 175.22 174.64 2g0k n LEU 77 N 8.75 3.09 -0.35 -0.37 7.94 0.18 0.28 117.00 136.51 2g0k n LEU 77 Ca 0.04 1.12 0.25 0.00 -1.11 0.00 0.00 56.01 56.31 2g0k n LEU 77 Cb 0.48 -1.42 0.51 0.00 0.53 0.00 0.00 43.42 43.52 2g0k n LEU 77 CO 0.68 -0.41 1.20 2.19 -1.11 0.00 0.00 177.39 179.94 2g0k h PHE 78 N 4.93 0.73 0.00 1.96 -5.15 -1.86 1.74 116.94 119.29 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.27 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2g0k h PHE 78 CO 0.59 -0.03 0.14 0.22 -2.00 0.00 0.00 178.31 177.23 2g0k h ASP 79 N 0.35 0.00 0.00 -0.68 3.58 -1.90 -3.44 116.42 114.33 2g0k h ASP 79 Ca 0.67 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.12 2g0k h ASP 79 Cb 1.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.76 2g0k h ASP 79 CO -0.40 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.57 2g0k n GLY 80 N -1.23 1.62 3.48 -0.78 0.00 0.59 -5.10 105.19 103.77 2g0k n GLY 80 Ca -0.02 -0.12 -0.32 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 2.96 -0.80 2.61 2.01 -1.05 -4.92 115.64 114.45 2g0k s THR 81 Ca 0.00 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 60.80 2g0k s THR 81 Cb 0.00 -2.22 0.07 0.00 0.01 0.00 0.00 72.50 70.37 2g0k s THR 81 CO 0.00 0.44 1.15 -0.60 -0.69 0.00 0.00 174.62 174.92 2g0k s ARG 82 N -1.17 3.32 0.04 4.92 3.52 -1.26 0.49 118.95 128.80 2g0k s ARG 82 Ca 0.14 -0.97 -0.31 0.00 -0.13 0.00 0.00 55.73 54.46 2g0k s ARG 82 Cb -0.11 -4.57 -0.17 0.00 -1.56 0.00 0.00 34.95 28.54 2g0k s ARG 82 CO 0.04 -1.94 1.34 2.35 -0.81 0.00 0.00 175.30 176.27 2g0k h TRP 83 N 9.54 -0.95 0.00 5.12 -0.00 -1.45 -3.48 115.95 124.73 2g0k h TRP 83 Ca -0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.76 2g0k h TRP 83 Cb 1.05 0.31 0.00 0.00 -0.00 0.00 0.00 29.16 30.52 2g0k h TRP 83 CO 1.10 -0.57 0.00 0.41 -0.00 0.00 0.00 178.44 179.38 2g0k n GLY 84 N -1.05 2.03 3.57 2.65 0.00 -1.24 -4.95 105.19 106.20 2g0k n GLY 84 Ca -0.13 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.96 3.22 0.43 2.61 2.01 -1.26 0.79 115.64 121.48 2g0k s THR 85 Ca 0.00 0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.97 2g0k s THR 85 Cb 0.00 -3.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 2g0k s THR 85 CO 0.00 -0.36 0.95 0.68 -0.69 0.00 0.00 174.62 175.21 2g0k s VAL 86 N 9.29 4.36 -0.49 3.82 -7.23 0.96 -4.78 120.40 126.33 2g0k s VAL 86 Ca 0.85 1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 62.44 2g0k s VAL 86 Cb -0.20 -3.59 0.13 0.00 0.56 0.00 0.00 36.38 33.28 2g0k s VAL 86 CO 0.28 -0.32 0.32 -1.81 -0.31 0.00 0.00 175.10 173.27 2g0k s ASP 87 N -2.17 5.45 0.60 4.85 1.01 -1.26 -1.60 116.67 123.55 2g0k s ASP 87 Ca 0.62 -2.21 0.29 0.00 0.71 0.00 0.00 52.55 51.96 2g0k s ASP 87 Cb -0.09 -1.91 1.50 0.00 1.01 0.00 0.00 42.92 43.43 2g0k s ASP 87 CO 0.13 -0.55 1.92 0.00 0.21 0.00 0.00 175.17 176.88 2g0k n THR 89 N -3.65 0.00 -0.00 0.00 -2.24 -1.19 -3.52 114.28 103.68 2g0k n THR 89 Ca 0.07 -0.06 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2g0k n THR 89 Cb 0.61 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.71 0.06 -4.61 4.28 -1.04 0.57 -5.08 114.28 107.75 2g0k n THR 90 Ca 0.22 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.91 2g0k n THR 90 Cb 0.18 -0.74 -0.07 0.00 -1.82 0.00 0.00 70.33 67.87 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 -2.03 3.43 -0.23 2.41 0.00 0.40 -5.04 121.76 120.69 2g0k s ALA 91 Ca -0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2g0k s ALA 91 Cb 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2g0k s ALA 91 CO 0.04 -0.24 0.20 0.00 0.00 0.00 0.00 175.76 175.76 2g0k s ALA 92 N -3.08 3.61 0.13 0.00 0.00 -1.26 -4.55 121.76 116.59 2g0k s ALA 92 Ca 0.15 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2g0k s ALA 92 Cb 0.01 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2g0k s ALA 92 CO 0.10 -0.20 0.15 0.00 0.00 0.00 0.00 175.76 175.82 2g0k s GLN 94 N -2.85 0.40 0.26 0.00 -2.07 -0.48 -0.84 119.66 114.08 2g0k s GLN 94 Ca 0.31 -0.25 0.09 0.00 -1.82 0.00 0.00 55.36 53.69 2g0k s GLN 94 Cb -0.11 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.94 2g0k s GLN 94 CO 0.24 -0.09 0.06 0.08 -1.32 0.00 0.00 175.29 174.26 2g0k s VAL 95 N -1.01 3.78 -0.08 3.63 1.01 -1.10 -0.00 120.40 126.63 2g0k s VAL 95 Ca -0.11 -1.74 -0.32 0.00 0.00 0.00 0.00 61.98 59.81 2g0k s VAL 95 Cb -0.06 -3.03 0.13 0.00 0.00 0.00 0.00 36.38 33.43 2g0k s VAL 95 CO 0.01 -0.36 1.32 -0.83 0.00 0.00 0.00 175.10 175.24 2g0k s GLY 96 N -3.72 -0.40 -0.11 4.51 0.00 0.91 -3.45 107.32 105.06 2g0k s GLY 96 Ca 0.32 0.99 0.02 0.00 0.00 0.00 0.00 44.72 46.04 2g0k s GLY 96 CO 0.22 0.24 -0.15 0.48 0.00 0.00 0.00 173.10 173.88 2g0k s LEU 97 N -2.79 1.74 0.01 0.66 2.34 1.38 0.70 118.68 122.71 2g0k s LEU 97 Ca 0.13 -0.44 0.04 0.00 0.06 0.00 0.00 54.13 53.93 2g0k s LEU 97 Cb 0.04 -1.11 -0.03 0.00 -0.56 0.00 0.00 46.19 44.53 2g0k s LEU 97 CO -0.05 0.02 -0.11 -0.44 -1.06 0.00 0.00 176.35 174.71 2g0k s SER 98 N 0.99 4.32 0.00 1.48 0.01 10.96 -2.08 113.70 129.38 2g0k s SER 98 Ca -0.06 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2g0k s SER 98 Cb -0.15 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2g0k s SER 98 CO -0.02 0.28 0.00 -0.90 0.41 0.00 0.00 173.24 173.01 2g0k n ASP 99 N 1.64 0.19 -0.04 2.44 5.75 -0.97 0.32 116.55 125.89 2g0k n ASP 99 Ca -0.16 -0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.47 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 -0.78 0.12 0.00 2.12 0.00 -1.91 -2.86 119.26 115.94 2g0k h ALA 100 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 100 CO 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 179.25 179.18 2g0k h ALA 101 N 0.57 1.00 -1.35 0.00 0.00 -1.96 -3.46 119.26 114.06 2g0k h ALA 101 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2g0k h ALA 101 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2g0k h ALA 101 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2g0k n GLY 102 N -0.35 0.62 3.33 0.00 0.00 -1.08 -5.11 105.19 102.60 2g0k n GLY 102 Ca -0.01 -0.36 -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 -2.30 1.55 0.04 1.61 6.03 -1.26 -4.83 114.94 115.77 2g0k s ASN 103 Ca 0.00 -1.30 -0.27 0.00 -1.03 0.00 0.00 52.86 50.26 2g0k s ASN 103 Cb 0.00 0.08 0.10 0.00 -3.03 0.00 0.00 41.25 38.39 2g0k s ASN 103 CO 0.00 -0.62 1.21 -0.83 -2.03 0.00 0.00 177.10 174.83 2g0k s GLY 104 N -3.31 -0.15 0.97 0.45 0.00 -1.26 -2.28 107.32 101.74 2g0k s GLY 104 Ca 0.33 0.12 -0.13 0.00 0.00 0.00 0.00 44.72 45.04 2g0k s GLY 104 CO 0.11 3.23 1.12 2.56 0.00 0.00 0.00 173.10 180.12 2g0k s PRO 105 N -2.22 0.68 -0.47 2.90 0.04 -1.26 -4.32 135.00 130.35 2g0k s PRO 105 Ca 0.23 0.37 -0.46 0.00 0.04 0.00 0.00 61.00 61.18 2g0k s PRO 105 Cb 0.00 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.57 2g0k s PRO 105 CO 0.00 -2.53 1.62 -0.85 0.04 0.00 0.00 177.00 175.28 2g0k n GLU 106 N -4.01 0.14 -0.99 4.56 0.00 -0.13 -4.45 120.64 115.75 2g0k n GLU 106 Ca 0.06 0.05 -0.37 0.00 0.00 0.00 0.00 57.16 56.90 2g0k n GLU 106 Cb 0.58 -1.57 0.04 0.00 0.00 0.00 0.00 31.44 30.49 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2g0k n GLY 107 N 4.02 -4.13 2.84 -1.84 0.00 -1.26 -4.81 105.19 100.01 2g0k n GLY 107 Ca 0.30 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.01 1.24 -0.22 1.61 1.01 -1.22 -5.05 120.40 115.76 2g0k s VAL 108 Ca 0.40 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 2g0k s VAL 108 Cb -0.10 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2g0k s VAL 108 CO 0.78 -0.43 0.72 0.00 0.00 0.00 0.00 175.10 176.17 2g0k s ALA 109 N 1.47 3.58 0.13 5.51 0.00 -1.26 -2.70 121.76 128.50 2g0k s ALA 109 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2g0k s ALA 109 Cb -0.18 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2g0k s ALA 109 CO -0.14 -0.73 0.28 0.42 0.00 0.00 0.00 175.76 175.59 2g0k s ILE 110 N 2.34 5.32 -0.04 0.00 1.01 -0.02 -4.98 121.20 124.83 2g0k s ILE 110 Ca 0.31 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2g0k s ILE 110 Cb -0.16 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.63 2g0k s ILE 110 CO 0.09 -0.04 0.03 -0.55 0.00 0.00 0.00 174.94 174.47 2g0k s SER 111 N -3.03 1.01 -0.16 3.58 0.15 -0.74 -3.86 113.70 110.64 2g0k s SER 111 Ca 0.35 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.84 2g0k s SER 111 Cb -0.12 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 2g0k s SER 111 CO 0.28 -0.19 0.46 -0.36 1.20 0.00 0.00 173.24 174.63 2g0k s PHE 112 N 1.77 3.44 0.00 3.44 0.40 -1.26 -3.28 117.98 122.49 2g0k s PHE 112 Ca 0.00 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 2g0k s PHE 112 Cb -0.12 -2.56 0.00 0.00 0.51 0.00 0.00 43.02 40.84 2g0k s PHE 112 CO -0.03 0.06 0.00 0.27 0.70 0.00 0.00 175.22 176.22