#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 1.51 1.15 0.00 0.00 -1.26 -4.45 121.76 118.70 2g0k s ALA 2 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 2g0k s ALA 2 Cb 0.00 -0.60 0.22 0.00 0.00 0.00 0.00 23.12 22.74 2g0k s ALA 2 CO 0.00 0.19 0.91 -0.35 0.00 0.00 0.00 175.76 176.51 2g0k n PRO 3 N 3.59 -2.27 -3.40 0.00 -0.04 -1.26 -3.76 135.00 127.85 2g0k n PRO 3 Ca -0.21 -1.43 -0.43 0.00 -0.04 0.00 0.00 63.50 61.39 2g0k n PRO 3 Cb 0.52 -1.23 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.74 5.19 -0.05 0.52 2.01 -0.59 -2.62 115.64 117.37 2g0k s THR 4 Ca 0.57 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.03 2g0k s THR 4 Cb -0.04 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2g0k s THR 4 CO 0.42 -0.37 -0.16 0.00 -0.69 0.00 0.00 174.62 173.82 2g0k s ALA 5 N 1.85 1.48 -0.33 7.40 0.00 -1.24 0.61 121.76 131.53 2g0k s ALA 5 Ca 0.08 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 2g0k s ALA 5 Cb -0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2g0k s ALA 5 CO 0.11 0.23 0.38 0.95 0.00 0.00 0.00 175.76 177.43 2g0k s THR 6 N 0.23 5.15 0.20 0.00 -4.23 1.30 -4.76 115.64 113.52 2g0k s THR 6 Ca -0.08 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 2g0k s THR 6 Cb -0.13 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 2g0k s THR 6 CO 0.03 -0.08 -0.03 0.68 -0.54 0.00 0.00 174.62 174.69 2g0k s VAL 7 N 2.08 3.52 1.18 2.29 -7.23 -1.25 0.19 120.40 121.18 2g0k s VAL 7 Ca 0.13 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.52 2g0k s VAL 7 Cb -0.16 -2.79 0.28 0.00 0.56 0.00 0.00 36.38 34.26 2g0k s VAL 7 CO 0.12 -0.18 1.08 0.28 -0.31 0.00 0.00 175.10 176.09 2g0k s THR 8 N -1.87 1.67 -0.19 5.32 -1.32 -0.15 -4.88 115.64 114.23 2g0k s THR 8 Ca 0.28 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.47 2g0k s THR 8 Cb -0.08 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2g0k s THR 8 CO 0.18 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.87 2g0k s PRO 9 N -5.21 4.02 -0.61 7.08 0.04 -1.26 -4.71 135.00 134.36 2g0k s PRO 9 Ca 0.69 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.41 2g0k s PRO 9 Cb -0.13 -3.91 0.40 0.00 0.04 0.00 0.00 34.50 30.90 2g0k s PRO 9 CO 0.57 -0.99 1.54 -1.13 0.04 0.00 0.00 177.00 177.03 2g0k n SER 10 N 7.46 6.05 -3.89 6.66 3.41 -1.26 -4.89 113.62 127.16 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 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.45 3.97 0.00 4.04 1.04 -1.25 -2.95 113.70 116.10 2g0k s SER 11 Ca 0.51 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2g0k s SER 11 Cb 0.42 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2g0k s SER 11 CO -0.25 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2g0k n GLY 12 N 4.67 1.33 3.52 7.32 0.00 -1.19 -4.79 105.19 116.05 2g0k n GLY 12 Ca -0.07 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 3.32 0.51 0.99 1.43 -1.26 -4.87 118.68 118.81 2g0k s LEU 13 Ca 0.00 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2g0k s LEU 13 Cb 0.00 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2g0k s LEU 13 CO 0.00 0.18 0.22 -0.55 0.23 0.00 0.00 176.35 176.43 2g0k s SER 14 N 0.32 4.41 0.24 2.29 0.15 -1.26 -4.83 113.70 115.03 2g0k s SER 14 Ca -0.03 -1.38 -0.29 0.00 0.70 0.00 0.00 55.95 54.96 2g0k s SER 14 Cb -0.14 0.34 -0.15 0.00 -1.71 0.00 0.00 66.02 64.36 2g0k s SER 14 CO 0.03 -0.94 0.83 -0.67 1.20 0.00 0.00 173.24 173.69 2g0k n ASP 15 N -1.51 0.29 0.00 5.45 2.03 -1.26 -1.65 116.55 119.90 2g0k n ASP 15 Ca -0.08 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2g0k n ASP 15 Cb 0.65 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 3.03 3.84 0.27 0.00 -1.25 -5.00 105.19 107.66 2g0k n GLY 16 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.74 4.56 -0.14 2.61 2.01 -0.66 -5.01 115.64 116.27 2g0k s THR 17 Ca 0.00 1.16 0.02 0.00 0.31 0.00 0.00 61.69 63.18 2g0k s THR 17 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2g0k s THR 17 CO 0.00 -0.29 -0.20 0.54 -0.69 0.00 0.00 174.62 173.98 2g0k s VAL 18 N -2.13 1.90 0.39 3.82 0.11 -1.26 -2.21 120.40 121.03 2g0k s VAL 18 Ca 0.57 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 2g0k s VAL 18 Cb -0.10 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 2g0k s VAL 18 CO 0.17 0.52 0.66 0.68 -3.33 0.00 0.00 175.10 173.80 2g0k s VAL 19 N 0.98 4.98 0.08 2.04 -7.23 0.20 -4.93 120.40 116.52 2g0k s VAL 19 Ca -0.04 -0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.17 2g0k s VAL 19 Cb -0.15 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 2g0k s VAL 19 CO -0.04 -0.62 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.36 2g0k s LYS 20 N -4.28 2.51 -0.17 4.82 2.36 -1.26 -0.26 119.74 123.46 2g0k s LYS 20 Ca 0.45 -0.83 -0.04 0.00 -2.55 0.00 0.00 55.97 52.99 2g0k s LYS 20 Cb -0.10 -2.52 0.08 0.00 -1.05 0.00 0.00 37.83 34.24 2g0k s LYS 20 CO 0.38 0.55 0.22 0.54 1.55 0.00 0.00 175.35 178.58 2g0k s VAL 21 N -1.26 -0.33 -0.17 4.02 0.11 0.15 -0.97 120.40 121.96 2g0k s VAL 21 Ca 0.24 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2g0k s VAL 21 Cb -0.12 -0.57 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2g0k s VAL 21 CO 0.16 -0.09 -0.11 0.00 -3.33 0.00 0.00 175.10 171.73 2g0k s ALA 22 N 2.33 1.80 0.31 1.54 0.00 0.13 -0.14 121.76 127.74 2g0k s ALA 22 Ca 0.05 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 2g0k s ALA 22 Cb -0.14 -1.14 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 2g0k s ALA 22 CO -0.10 -0.61 0.79 0.20 0.00 0.00 0.00 175.76 176.04 2g0k s GLY 23 N 1.50 2.48 -0.22 0.00 0.00 -0.19 0.40 107.32 111.28 2g0k s GLY 23 Ca 0.02 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 2g0k s GLY 23 CO -0.09 0.49 0.33 0.00 0.00 0.00 0.00 173.10 173.83 2g0k s ALA 24 N -1.84 -0.84 0.00 3.20 0.00 2.63 -2.00 121.76 122.91 2g0k s ALA 24 Ca 0.52 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2g0k s ALA 24 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2g0k s ALA 24 CO 0.18 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.18 2g0k n GLY 25 N 5.35 1.01 3.98 0.00 0.00 -0.84 -1.54 105.19 113.15 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 2.96 0.06 0.99 1.02 -0.21 -4.74 118.68 118.76 2g0k s LEU 26 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 54.13 53.59 2g0k s LEU 26 Cb 0.00 -2.10 -0.10 0.00 0.02 0.00 0.00 46.19 44.01 2g0k s LEU 26 CO 0.00 -1.90 1.93 0.00 0.02 0.00 0.00 176.35 176.41 2g0k n GLN 27 N -2.90 2.82 -2.32 1.70 6.02 -1.26 -4.45 117.38 116.98 2g0k n GLN 27 Ca 0.14 1.03 -0.42 0.00 -0.01 0.00 0.00 57.00 57.75 2g0k n GLN 27 Cb 0.60 -2.97 -0.03 0.00 1.02 0.00 0.00 30.24 28.87 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 3.96 3.47 0.00 -1.58 0.00 -1.26 -2.18 121.76 124.17 2g0k s ALA 28 Ca 0.87 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2g0k s ALA 28 Cb -0.46 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2g0k s ALA 28 CO 0.41 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2g0k n GLY 29 N 3.33 0.55 3.84 0.00 0.00 0.28 -4.88 105.19 108.31 2g0k n GLY 29 Ca 0.10 0.00 -0.37 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 -2.36 4.96 0.28 2.61 2.01 -0.93 -4.77 115.64 117.44 2g0k s THR 30 Ca 0.00 0.85 -0.13 0.00 0.31 0.00 0.00 61.69 62.72 2g0k s THR 30 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 2g0k s THR 30 CO 0.00 0.48 0.66 0.00 -0.69 0.00 0.00 174.62 175.07 2g0k s ALA 31 N -1.19 3.43 -0.01 7.40 0.00 -1.26 -0.62 121.76 129.50 2g0k s ALA 31 Ca 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2g0k s ALA 31 Cb -0.17 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2g0k s ALA 31 CO 0.16 0.41 -0.04 0.71 0.00 0.00 0.00 175.76 177.00 2g0k s TYR 32 N -1.90 0.43 -0.36 0.00 2.02 0.18 -4.21 117.35 113.51 2g0k s TYR 32 Ca 0.51 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 57.00 2g0k s TYR 32 Cb -0.11 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.13 2g0k s TYR 32 CO 0.19 -0.03 0.26 0.34 -1.57 0.00 0.00 175.55 174.73 2g0k s ASP 33 N 0.09 6.08 -0.03 2.29 2.15 1.62 -2.66 116.67 126.21 2g0k s ASP 33 Ca -0.01 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.38 2g0k s ASP 33 Cb -0.04 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.39 2g0k s ASP 33 CO -0.00 -0.30 0.17 -0.69 -0.17 0.00 0.00 175.17 174.18 2g0k s VAL 34 N 1.71 5.45 0.14 1.11 1.01 -0.45 0.83 120.40 130.20 2g0k s VAL 34 Ca 0.06 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 2g0k s VAL 34 Cb -0.18 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.77 2g0k s VAL 34 CO 0.10 0.39 1.01 -0.83 0.00 0.00 0.00 175.10 175.78 2g0k s GLY 35 N -1.73 -0.21 -0.29 4.51 0.00 0.81 0.11 107.32 110.53 2g0k s GLY 35 Ca 0.24 0.13 0.01 0.00 0.00 0.00 0.00 44.72 45.10 2g0k s GLY 35 CO 0.15 0.29 -0.04 1.62 0.00 0.00 0.00 173.10 175.12 2g0k s GLN 36 N -3.05 2.24 0.07 2.90 0.74 -1.25 -1.65 119.66 119.66 2g0k s GLN 36 Ca 0.14 -1.38 0.07 0.00 0.05 0.00 0.00 55.36 54.23 2g0k s GLN 36 Cb -0.01 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 2g0k s GLN 36 CO 0.02 -0.64 -0.12 0.00 -0.55 0.00 0.00 175.29 174.00 2g0k s ALA 38 N -1.09 1.97 0.06 0.00 0.00 0.24 -2.11 121.76 120.83 2g0k s ALA 38 Ca 0.18 -1.10 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 2g0k s ALA 38 Cb -0.11 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.49 2g0k s ALA 38 CO 0.10 0.47 1.64 -0.46 0.00 0.00 0.00 175.76 177.51 2g0k s TRP 39 N -0.70 2.43 -0.20 0.00 -0.00 -1.25 0.04 118.94 119.25 2g0k s TRP 39 Ca 0.09 0.33 -0.04 0.00 -0.00 0.00 0.00 56.10 56.49 2g0k s TRP 39 Cb -0.09 -3.95 -0.11 0.00 -0.00 0.00 0.00 33.47 29.31 2g0k s TRP 39 CO 0.01 -3.82 -0.22 0.28 -0.00 0.00 0.00 176.95 173.20 2g0k n VAL 40 N 4.74 1.14 -3.74 5.86 0.31 -0.56 -4.83 118.33 121.25 2g0k n VAL 40 Ca 0.16 -0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 2g0k n VAL 40 Cb 0.41 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.78 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 -6.33 -0.37 -0.45 4.52 2.15 0.44 -5.02 116.67 111.61 2g0k s ASP 41 Ca -0.28 0.68 -0.40 0.00 0.43 0.00 0.00 52.55 52.98 2g0k s ASP 41 Cb 0.09 0.63 -0.17 0.00 -0.30 0.00 0.00 42.92 43.16 2g0k s ASP 41 CO 0.42 -0.15 1.90 0.41 -0.17 0.00 0.00 175.17 177.58 2g0k n THR 42 N 3.60 0.00 -0.28 1.71 -1.04 -1.26 0.36 114.28 117.37 2g0k n THR 42 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2g0k n THR 42 Cb 0.56 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 6.53 0.82 3.27 3.41 0.00 -1.26 -5.05 105.19 112.92 2g0k n GLY 43 Ca 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 2g0k n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g0k s VAL 44 N -2.09 -0.07 -0.03 1.61 -7.23 1.12 -5.12 120.40 108.58 2g0k s VAL 44 Ca 0.00 0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2g0k s VAL 44 Cb 0.00 -0.62 0.01 0.00 0.56 0.00 0.00 36.38 36.34 2g0k s VAL 44 CO 0.00 0.04 -0.06 -1.48 -0.31 0.00 0.00 175.10 173.29 2g0k s LEU 45 N 1.49 1.57 0.25 1.32 2.34 -1.26 -0.42 118.68 123.97 2g0k s LEU 45 Ca -0.09 -0.14 -0.21 0.00 0.06 0.00 0.00 54.13 53.75 2g0k s LEU 45 Cb -0.09 -0.45 -0.09 0.00 -0.56 0.00 0.00 46.19 45.00 2g0k s LEU 45 CO -0.13 -0.00 0.78 0.00 -1.06 0.00 0.00 176.35 175.94 2g0k s ALA 46 N 0.55 3.36 0.13 1.48 0.00 0.11 -3.59 121.76 123.79 2g0k s ALA 46 Ca -0.08 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.18 2g0k s ALA 46 Cb -0.11 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2g0k s ALA 46 CO 0.00 0.29 0.09 0.00 0.00 0.00 0.00 175.76 176.14 2g0k s ASN 48 N -2.79 5.20 0.00 0.00 2.47 0.05 0.25 114.94 120.12 2g0k s ASN 48 Ca 0.30 -1.40 0.20 0.00 0.42 0.00 0.00 52.86 52.37 2g0k s ASN 48 Cb -0.11 -1.82 1.18 0.00 -1.45 0.00 0.00 41.25 39.05 2g0k s ASN 48 CO 0.22 -0.37 1.57 -0.81 -3.72 0.00 0.00 177.10 173.99 2g0k n PRO 49 N 4.72 0.62 0.01 0.43 -0.04 -1.26 -2.10 135.00 137.36 2g0k n PRO 49 Ca -0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 2g0k n PRO 49 Cb 0.43 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.00 3.29 -2.00 0.55 0.00 -1.26 -3.83 120.51 116.25 2g0k n ALA 50 Ca 0.15 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.34 2g0k n ALA 50 Cb 0.07 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.56 1.22 -4.57 0.00 8.00 -0.89 -5.01 116.55 113.74 2g0k n ASP 51 Ca 0.06 -2.71 -0.42 0.00 0.71 0.00 0.00 54.79 52.43 2g0k n ASP 51 Cb 0.35 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2g0k s PHE 52 N -1.31 2.54 0.52 1.24 0.08 -1.23 -3.85 117.98 115.97 2g0k s PHE 52 Ca 0.30 0.27 0.09 0.00 0.12 0.00 0.00 56.93 57.71 2g0k s PHE 52 Cb 0.32 -4.51 0.06 0.00 -0.57 0.00 0.00 43.02 38.31 2g0k s PHE 52 CO -0.09 -1.69 0.71 -1.12 -0.10 0.00 0.00 175.22 172.92 2g0k s SER 53 N 3.15 5.31 0.03 1.36 0.01 0.30 -4.94 113.70 118.91 2g0k s SER 53 Ca 0.40 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 2g0k s SER 53 Cb -0.08 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 2g0k s SER 53 CO 0.22 -1.12 0.10 -0.94 0.41 0.00 0.00 173.24 171.92 2g0k s SER 54 N -4.54 0.14 -0.12 2.44 1.04 -1.26 -1.34 113.70 110.05 2g0k s SER 54 Ca 0.59 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.28 2g0k s SER 54 Cb -0.07 0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.38 2g0k s SER 54 CO 0.37 -0.47 0.96 0.54 0.98 0.00 0.00 173.24 175.62 2g0k s VAL 55 N -2.25 0.00 -0.04 5.02 0.11 -1.09 -4.93 120.40 117.22 2g0k s VAL 55 Ca -0.08 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2g0k s VAL 55 Cb -0.03 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2g0k s VAL 55 CO -0.03 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -1.55 1.28 0.34 5.04 2.01 -1.26 -0.64 115.64 120.85 2g0k s THR 56 Ca -0.01 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 2g0k s THR 56 Cb -0.01 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 2g0k s THR 56 CO -0.00 0.37 1.17 0.00 -0.69 0.00 0.00 174.62 175.47 2g0k s ALA 57 N 0.15 3.33 0.94 7.40 0.00 0.20 -4.67 121.76 129.11 2g0k s ALA 57 Ca -0.05 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 2g0k s ALA 57 Cb -0.11 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.70 2g0k s ALA 57 CO 0.02 -0.39 0.44 -0.40 0.00 0.00 0.00 175.76 175.43 2g0k n ASP 58 N 0.67 0.09 0.26 0.00 5.68 -0.38 0.10 116.55 122.98 2g0k n ASP 58 Ca 0.01 -1.19 0.11 0.00 -0.50 0.00 0.00 54.79 53.22 2g0k n ASP 58 Cb 0.45 -0.33 0.72 0.00 -1.14 0.00 0.00 41.12 40.82 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 -1.75 1.60 0.00 2.12 0.00 -1.90 0.15 119.26 119.49 2g0k h ALA 59 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2g0k h ALA 59 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2g0k h ALA 59 CO 0.11 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.54 2g0k n ASN 60 N -4.05 0.00 -0.50 0.00 4.13 -1.26 -4.79 115.26 108.79 2g0k n ASN 60 Ca -0.03 0.32 -0.03 0.00 1.68 0.00 0.00 54.58 56.52 2g0k n ASN 60 Cb 0.16 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 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 0.76 0.32 3.13 7.41 0.00 0.49 -4.72 105.19 112.59 2g0k n GLY 61 Ca 0.07 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.89 1.84 0.32 1.61 1.04 -1.26 -1.04 113.70 113.33 2g0k s SER 62 Ca 0.02 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.24 2g0k s SER 62 Cb -0.01 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 2g0k s SER 62 CO 0.02 0.19 -0.05 0.00 0.98 0.00 0.00 173.24 174.38 2g0k s ALA 63 N -0.33 2.64 -0.16 5.32 0.00 -0.85 -1.25 121.76 127.13 2g0k s ALA 63 Ca 0.05 -2.02 -0.06 0.00 0.00 0.00 0.00 51.96 49.93 2g0k s ALA 63 Cb -0.06 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.27 2g0k s ALA 63 CO -0.00 -0.04 0.35 -1.12 0.00 0.00 0.00 175.76 174.94 2g0k s SER 64 N -3.53 -0.10 -0.00 0.00 0.01 -1.26 -1.02 113.70 107.79 2g0k s SER 64 Ca 0.32 0.79 -0.27 0.00 1.31 0.00 0.00 55.95 58.10 2g0k s SER 64 Cb 0.04 0.93 0.06 0.00 0.21 0.00 0.00 66.02 67.27 2g0k s SER 64 CO 0.14 -0.22 0.62 -0.89 0.41 0.00 0.00 173.24 173.30 2g0k s THR 65 N 2.19 0.01 -0.15 1.44 2.01 0.81 -4.91 115.64 117.03 2g0k s THR 65 Ca -0.03 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 2g0k s THR 65 Cb -0.11 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2g0k s THR 65 CO -0.11 -0.04 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.23 2g0k s SER 66 N -1.55 4.06 0.22 3.53 0.01 -1.26 0.32 113.70 119.03 2g0k s SER 66 Ca -0.09 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2g0k s SER 66 Cb -0.01 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 2g0k s SER 66 CO 0.04 0.13 0.38 -0.22 0.41 0.00 0.00 173.24 173.99 2g0k s LEU 67 N 0.57 4.24 -0.26 2.44 0.20 0.65 -4.92 118.68 121.60 2g0k s LEU 67 Ca -0.07 0.29 -0.09 0.00 0.69 0.00 0.00 54.13 54.95 2g0k s LEU 67 Cb -0.15 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.49 2g0k s LEU 67 CO 0.03 -0.06 0.13 0.28 -0.29 0.00 0.00 176.35 176.44 2g0k s THR 68 N -1.92 4.88 -0.08 3.68 -1.32 -1.26 0.59 115.64 120.21 2g0k s THR 68 Ca 0.37 0.02 -0.27 0.00 -1.21 0.00 0.00 61.69 60.61 2g0k s THR 68 Cb -0.10 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.56 2g0k s THR 68 CO 0.30 0.30 0.86 -0.69 -2.21 0.00 0.00 174.62 173.18 2g0k s VAL 69 N 1.57 4.92 0.21 5.08 1.01 -0.94 -4.84 120.40 127.41 2g0k s VAL 69 Ca 0.07 1.75 0.10 0.00 0.00 0.00 0.00 61.98 63.90 2g0k s VAL 69 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2g0k s VAL 69 CO 0.07 0.14 -0.15 -0.13 0.00 0.00 0.00 175.10 175.02 2g0k s ARG 70 N 1.36 1.83 0.09 2.72 3.00 -1.26 -3.88 118.95 122.81 2g0k s ARG 70 Ca 0.43 -1.46 0.22 0.00 0.00 0.00 0.00 55.73 54.93 2g0k s ARG 70 Cb -0.18 -1.99 -0.08 0.00 0.00 0.00 0.00 34.95 32.70 2g0k s ARG 70 CO 0.20 0.40 0.88 2.89 0.00 0.00 0.00 175.30 179.66 2g0k n ARG 71 N -0.08 0.52 -3.59 3.54 1.85 -1.26 -4.58 116.66 113.05 2g0k n ARG 71 Ca -0.10 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.61 2g0k n ARG 71 Cb 0.57 -1.66 -0.06 0.00 -1.05 0.00 0.00 32.46 30.25 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2g0k s SER 72 N -4.66 -0.56 -0.17 2.89 0.01 -1.26 -0.32 113.70 109.63 2g0k s SER 72 Ca -0.01 0.87 -0.31 0.00 1.31 0.00 0.00 55.95 57.81 2g0k s SER 72 Cb 0.12 0.81 0.14 0.00 0.21 0.00 0.00 66.02 67.31 2g0k s SER 72 CO 0.83 -0.33 1.11 0.72 0.41 0.00 0.00 173.24 175.97 2g0k s PHE 73 N -0.39 -0.24 -0.21 2.43 -0.12 -0.83 -4.94 117.98 113.68 2g0k s PHE 73 Ca -0.02 0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.88 2g0k s PHE 73 Cb -0.03 0.49 -0.07 0.00 -0.63 0.00 0.00 43.02 42.78 2g0k s PHE 73 CO 0.01 -0.27 2.17 -0.85 -0.05 0.00 0.00 175.22 176.24 2g0k n GLU 74 N 0.37 1.90 -2.04 1.99 0.28 -1.26 -0.22 120.64 121.65 2g0k n GLU 74 Ca -0.05 0.56 -0.39 0.00 -0.16 0.00 0.00 57.16 57.11 2g0k n GLU 74 Cb 0.59 -3.04 -0.03 0.00 1.43 0.00 0.00 31.44 30.39 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 7.51 0.31 -0.72 -1.84 0.00 0.51 -4.22 107.32 108.88 2g0k s GLY 75 Ca 1.01 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 44.98 2g0k s GLY 75 CO 0.39 3.38 1.15 -1.36 0.00 0.00 0.00 173.10 176.67 2g0k s PHE 76 N 8.66 2.45 0.37 1.90 0.40 0.70 -1.09 117.98 131.38 2g0k s PHE 76 Ca 0.69 -0.28 -0.27 0.00 -0.60 0.00 0.00 56.93 56.47 2g0k s PHE 76 Cb -0.14 -4.49 -0.11 0.00 0.51 0.00 0.00 43.02 38.78 2g0k s PHE 76 CO 0.23 -1.90 1.24 -0.11 0.70 0.00 0.00 175.22 175.38 2g0k n LEU 77 N 8.66 3.51 -0.31 -0.37 7.94 0.56 0.19 117.00 137.19 2g0k n LEU 77 Ca 0.01 1.16 0.15 0.00 -1.11 0.00 0.00 56.01 56.22 2g0k n LEU 77 Cb 0.48 -1.47 0.33 0.00 0.53 0.00 0.00 43.42 43.29 2g0k n LEU 77 CO 0.68 -0.68 1.02 -0.26 -1.11 0.00 0.00 177.39 177.04 2g0k h PHE 78 N 2.28 0.59 0.00 1.96 -1.00 -1.87 2.05 116.94 120.95 2g0k h PHE 78 Ca -0.46 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.29 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.74 2g0k h PHE 78 CO 0.49 -0.13 0.11 0.22 -1.61 0.00 0.00 178.31 177.39 2g0k h ASP 79 N 0.32 0.00 0.00 2.17 1.82 -1.93 -3.44 116.42 115.36 2g0k h ASP 79 Ca 0.59 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.23 2g0k h ASP 79 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2g0k h ASP 79 CO -0.59 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.65 2g0k n GLY 80 N -1.23 1.34 3.64 -0.78 0.00 0.69 -5.09 105.19 103.77 2g0k n GLY 80 Ca -0.02 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 3.93 -0.85 2.61 2.01 -1.16 -4.87 115.64 115.31 2g0k s THR 81 Ca 0.00 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 2g0k s THR 81 Cb 0.00 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.79 2g0k s THR 81 CO 0.00 0.37 1.53 0.00 -0.69 0.00 0.00 174.62 175.84 2g0k s ARG 82 N -1.53 3.15 0.04 4.92 1.70 -1.26 -0.32 118.95 125.65 2g0k s ARG 82 Ca 0.19 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 2g0k s ARG 82 Cb -0.11 -4.78 -0.17 0.00 -0.57 0.00 0.00 34.95 29.31 2g0k s ARG 82 CO 0.09 -2.45 1.39 2.35 -1.08 0.00 0.00 175.30 175.61 2g0k h TRP 83 N 10.86 -0.77 0.00 5.89 2.91 -1.48 -3.48 115.95 129.88 2g0k h TRP 83 Ca -0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2g0k h TRP 83 Cb 1.04 0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 2g0k h TRP 83 CO 1.19 -0.43 0.00 0.41 -1.03 0.00 0.00 178.44 178.57 2g0k n GLY 84 N -1.00 3.02 3.57 2.65 0.00 -1.24 -4.97 105.19 107.23 2g0k n GLY 84 Ca -0.12 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 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 3.00 0.48 2.61 2.01 -1.26 -0.36 115.64 120.12 2g0k s THR 85 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2g0k s THR 85 Cb 0.00 -3.01 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 2g0k s THR 85 CO 0.00 -0.01 1.01 -0.69 -0.69 0.00 0.00 174.62 174.24 2g0k s VAL 86 N 10.45 4.00 -0.49 3.82 1.01 0.69 -4.80 120.40 135.08 2g0k s VAL 86 Ca 0.99 1.22 0.01 0.00 0.00 0.00 0.00 61.98 64.20 2g0k s VAL 86 Cb -0.24 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.76 2g0k s VAL 86 CO 0.30 -0.30 0.25 -1.81 0.00 0.00 0.00 175.10 173.54 2g0k s ASP 87 N -2.13 4.78 0.57 3.32 1.11 -1.26 -1.96 116.67 121.10 2g0k s ASP 87 Ca 0.65 -2.64 0.29 0.00 0.18 0.00 0.00 52.55 51.04 2g0k s ASP 87 Cb -0.14 -1.72 1.47 0.00 1.07 0.00 0.00 42.92 43.60 2g0k s ASP 87 CO 0.19 -0.34 1.90 0.00 1.18 0.00 0.00 175.17 178.10 2g0k n THR 89 N -3.90 0.00 -0.01 0.00 -2.24 -1.22 -3.24 114.28 103.66 2g0k n THR 89 Ca 0.11 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.88 2g0k n THR 89 Cb 0.74 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.98 0.15 -4.25 4.28 -1.04 0.59 -5.07 114.28 107.96 2g0k n THR 90 Ca 0.23 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 62.00 2g0k n THR 90 Cb 0.11 -0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.99 0.32 -2.71 2.41 0.00 -0.20 -5.06 120.51 113.28 2g0k n ALA 91 Ca -0.04 -1.10 -0.36 0.00 0.00 0.00 0.00 53.44 51.94 2g0k n ALA 91 Cb 0.48 0.76 -0.09 0.00 0.00 0.00 0.00 19.45 20.59 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 -2.61 3.59 0.15 0.00 0.00 -1.26 -4.59 121.76 117.04 2g0k s ALA 92 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2g0k s ALA 92 Cb 0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2g0k s ALA 92 CO 0.09 -0.08 0.16 0.00 0.00 0.00 0.00 175.76 175.92 2g0k s GLN 94 N -3.05 0.41 0.32 0.00 -2.07 -0.89 0.88 119.66 115.25 2g0k s GLN 94 Ca 0.31 -0.50 0.08 0.00 -1.82 0.00 0.00 55.36 53.43 2g0k s GLN 94 Cb -0.10 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 31.94 2g0k s GLN 94 CO 0.24 -0.09 0.15 0.08 -1.32 0.00 0.00 175.29 174.35 2g0k s VAL 95 N -1.44 3.25 -0.15 3.63 1.01 -0.79 -1.69 120.40 124.23 2g0k s VAL 95 Ca -0.15 -1.66 -0.34 0.00 0.00 0.00 0.00 61.98 59.83 2g0k s VAL 95 Cb -0.09 -3.02 0.15 0.00 0.00 0.00 0.00 36.38 33.42 2g0k s VAL 95 CO 0.00 -0.22 1.38 -0.83 0.00 0.00 0.00 175.10 175.44 2g0k s GLY 96 N -3.84 -0.38 -0.11 4.51 0.00 -0.66 -3.34 107.32 103.50 2g0k s GLY 96 Ca 0.37 1.25 -0.00 0.00 0.00 0.00 0.00 44.72 46.34 2g0k s GLY 96 CO 0.23 0.33 -0.09 0.48 0.00 0.00 0.00 173.10 174.05 2g0k s LEU 97 N -2.65 1.28 0.09 0.66 2.34 0.73 0.28 118.68 121.42 2g0k s LEU 97 Ca 0.13 -0.32 0.02 0.00 0.06 0.00 0.00 54.13 54.03 2g0k s LEU 97 Cb 0.04 -0.87 -0.04 0.00 -0.56 0.00 0.00 46.19 44.76 2g0k s LEU 97 CO -0.05 -0.10 0.14 -0.44 -1.06 0.00 0.00 176.35 174.84 2g0k s SER 98 N 1.58 5.83 0.00 1.48 0.01 4.58 -2.69 113.70 124.49 2g0k s SER 98 Ca 0.03 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2g0k s SER 98 Cb -0.13 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.45 2g0k s SER 98 CO -0.07 0.15 0.00 -0.90 0.41 0.00 0.00 173.24 172.83 2g0k n ASP 99 N 0.24 0.97 -0.04 2.44 5.75 -0.96 0.46 116.55 125.42 2g0k n ASP 99 Ca -0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.61 2g0k n ASP 99 Cb 0.52 0.00 -0.03 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 -0.02 0.20 0.00 2.12 0.00 -1.92 -1.93 119.26 117.72 2g0k h ALA 100 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2g0k h ALA 100 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2g0k h ALA 100 CO 0.00 -0.37 -0.44 0.00 0.00 0.00 0.00 179.25 178.43 2g0k h ALA 101 N 1.12 0.84 -0.01 0.00 0.00 -1.97 -3.47 119.26 115.78 2g0k h ALA 101 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2g0k h ALA 101 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2g0k h ALA 101 CO -0.09 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2g0k n GLY 102 N 0.67 0.89 3.74 0.00 0.00 -0.73 -5.12 105.19 104.64 2g0k n GLY 102 Ca 0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.78 4.66 0.02 1.61 4.22 -1.26 -4.67 114.94 117.73 2g0k s ASN 103 Ca 0.00 -0.82 -0.21 0.00 -2.14 0.00 0.00 52.86 49.69 2g0k s ASN 103 Cb 0.00 -0.67 0.07 0.00 1.28 0.00 0.00 41.25 41.93 2g0k s ASN 103 CO 0.00 -0.37 0.94 0.61 -2.04 0.00 0.00 177.10 176.25 2g0k n GLY 104 N -1.19 0.41 3.79 0.45 0.00 -1.25 -2.26 105.19 105.15 2g0k n GLY 104 Ca -0.02 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.02 2.88 -0.16 1.61 0.04 -1.26 -4.35 135.00 131.74 2g0k s PRO 105 Ca 0.22 1.19 -0.33 0.00 0.04 0.00 0.00 61.00 62.12 2g0k s PRO 105 Cb -0.01 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 2g0k s PRO 105 CO 0.01 -1.16 0.99 0.39 0.04 0.00 0.00 177.00 177.27 2g0k n GLU 106 N -2.68 0.00 -1.03 4.56 1.02 -1.08 -4.50 120.64 116.94 2g0k n GLU 106 Ca 0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 2g0k n GLU 106 Cb 0.53 -1.15 0.01 0.00 -0.02 0.00 0.00 31.44 30.81 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g0k n GLY 107 N 1.95 -2.97 2.94 0.62 0.00 -1.26 -4.79 105.19 101.67 2g0k n GLY 107 Ca 0.19 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.71 1.72 0.27 1.61 1.01 -1.21 -5.08 120.40 117.02 2g0k s VAL 108 Ca 0.46 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 2g0k s VAL 108 Cb -0.37 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 2g0k s VAL 108 CO 0.59 -0.37 0.77 0.00 0.00 0.00 0.00 175.10 176.09 2g0k s ALA 109 N 1.24 3.34 0.23 5.51 0.00 -1.26 -1.89 121.76 128.93 2g0k s ALA 109 Ca 0.03 0.20 0.11 0.00 0.00 0.00 0.00 51.96 52.29 2g0k s ALA 109 Cb -0.19 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 2g0k s ALA 109 CO -0.10 0.30 -0.21 0.42 0.00 0.00 0.00 175.76 176.16 2g0k s ILE 110 N -1.68 2.30 -0.11 0.00 1.01 0.25 -4.91 121.20 118.07 2g0k s ILE 110 Ca 0.48 -2.20 -0.03 0.00 0.00 0.00 0.00 60.65 58.90 2g0k s ILE 110 Cb -0.15 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.20 2g0k s ILE 110 CO 0.20 -0.30 0.04 -0.55 0.00 0.00 0.00 174.94 174.33 2g0k s SER 111 N -3.10 1.90 -0.37 3.58 0.15 -1.15 -3.67 113.70 111.04 2g0k s SER 111 Ca 0.24 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 2g0k s SER 111 Cb -0.06 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.92 2g0k s SER 111 CO 0.12 -0.27 0.82 -0.36 1.20 0.00 0.00 173.24 174.75 2g0k s PHE 112 N 2.04 3.10 0.00 3.44 0.40 -1.26 -3.84 117.98 121.86 2g0k s PHE 112 Ca 0.03 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2g0k s PHE 112 Cb -0.14 -3.47 0.00 0.00 0.51 0.00 0.00 43.02 39.92 2g0k s PHE 112 CO -0.06 -0.76 0.00 0.27 0.70 0.00 0.00 175.22 175.37