#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 0.73 1.10 0.00 0.00 -1.26 -4.65 121.76 117.68 2g0k s ALA 2 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 2g0k s ALA 2 Cb 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.19 2g0k s ALA 2 CO 0.00 0.10 0.61 -0.35 0.00 0.00 0.00 175.76 176.12 2g0k n PRO 3 N 2.07 -1.78 -3.48 0.00 -0.04 -1.26 -4.77 135.00 125.73 2g0k n PRO 3 Ca -0.18 -0.97 -0.43 0.00 -0.04 0.00 0.00 63.50 61.88 2g0k n PRO 3 Cb 0.56 -0.84 -0.10 0.00 -0.04 0.00 0.00 33.50 33.08 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 -2.18 5.15 -0.04 0.52 -1.32 -0.99 -4.58 115.64 112.20 2g0k s THR 4 Ca 0.38 -0.70 0.07 0.00 -1.21 0.00 0.00 61.69 60.22 2g0k s THR 4 Cb -0.03 -3.88 -0.01 0.00 -1.51 0.00 0.00 72.50 67.07 2g0k s THR 4 CO 0.29 -0.31 -0.24 0.00 -2.21 0.00 0.00 174.62 172.16 2g0k s ALA 5 N 1.66 2.00 -0.36 11.08 0.00 -1.23 0.46 121.76 135.36 2g0k s ALA 5 Ca 0.04 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 2g0k s ALA 5 Cb -0.19 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2g0k s ALA 5 CO 0.09 0.44 0.29 0.95 0.00 0.00 0.00 175.76 177.53 2g0k s THR 6 N -0.34 5.24 0.15 0.00 -4.23 0.99 -4.76 115.64 112.70 2g0k s THR 6 Ca 0.03 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 2g0k s THR 6 Cb -0.11 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 2g0k s THR 6 CO 0.01 -0.11 0.06 0.68 -0.54 0.00 0.00 174.62 174.72 2g0k s VAL 7 N 1.82 4.13 1.22 2.29 -7.23 -1.23 -0.59 120.40 120.80 2g0k s VAL 7 Ca 0.08 -1.18 -0.19 0.00 -1.81 0.00 0.00 61.98 58.88 2g0k s VAL 7 Cb -0.17 -3.07 0.29 0.00 0.56 0.00 0.00 36.38 33.99 2g0k s VAL 7 CO 0.11 -0.06 1.07 0.28 -0.31 0.00 0.00 175.10 176.19 2g0k s THR 8 N -1.65 1.59 -0.18 5.32 -1.32 -0.09 -4.83 115.64 114.48 2g0k s THR 8 Ca 0.29 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.47 2g0k s THR 8 Cb -0.10 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 2g0k s THR 8 CO 0.21 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.89 2g0k s PRO 9 N -5.23 4.05 -0.48 7.08 0.04 -1.26 -4.67 135.00 134.53 2g0k s PRO 9 Ca 0.70 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.46 2g0k s PRO 9 Cb -0.12 -3.90 0.43 0.00 0.04 0.00 0.00 34.50 30.95 2g0k s PRO 9 CO 0.57 -0.96 1.38 -1.13 0.04 0.00 0.00 177.00 176.90 2g0k n SER 10 N 7.36 5.55 -3.96 6.66 3.41 -1.26 -4.90 113.62 126.48 2g0k n SER 10 Ca 0.16 -3.76 -0.31 0.00 -0.26 0.00 0.00 58.87 54.71 2g0k n SER 10 Cb 0.45 -0.57 -0.15 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.99 4.28 0.00 4.04 1.04 -1.24 -2.41 113.70 116.42 2g0k s SER 11 Ca 0.51 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2g0k s SER 11 Cb 0.42 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2g0k s SER 11 CO -0.13 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2g0k n GLY 12 N 4.52 1.31 3.73 7.32 0.00 -1.23 -4.85 105.19 115.99 2g0k n GLY 12 Ca -0.06 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 4.10 0.36 0.99 1.43 -1.26 -4.84 118.68 119.46 2g0k s LEU 13 Ca 0.00 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2g0k s LEU 13 Cb 0.00 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2g0k s LEU 13 CO 0.00 0.23 0.37 -0.44 0.23 0.00 0.00 176.35 176.73 2g0k s SER 14 N 0.06 5.39 0.25 2.29 0.01 -1.26 -4.75 113.70 115.69 2g0k s SER 14 Ca 0.08 -0.49 -0.28 0.00 1.31 0.00 0.00 55.95 56.57 2g0k s SER 14 Cb -0.12 -0.91 -0.15 0.00 0.21 0.00 0.00 66.02 65.05 2g0k s SER 14 CO -0.00 -0.47 0.76 -0.90 0.41 0.00 0.00 173.24 173.04 2g0k n ASP 15 N -1.50 0.01 0.00 2.44 5.68 -1.26 -1.67 116.55 120.25 2g0k n ASP 15 Ca 0.00 1.15 0.00 0.00 -0.50 0.00 0.00 54.79 55.45 2g0k n ASP 15 Cb 0.60 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 1.61 3.09 3.80 6.12 0.00 -1.26 -5.05 105.19 113.50 2g0k n GLY 16 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.78 3.94 -0.11 2.61 2.01 -0.67 -5.03 115.64 115.62 2g0k s THR 17 Ca 0.00 1.29 0.03 0.00 0.31 0.00 0.00 61.69 63.32 2g0k s THR 17 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2g0k s THR 17 CO 0.00 -0.18 -0.20 0.54 -0.69 0.00 0.00 174.62 174.09 2g0k s VAL 18 N -1.94 1.81 0.55 3.82 0.11 -1.26 -3.21 120.40 120.27 2g0k s VAL 18 Ca 0.63 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 2g0k s VAL 18 Cb -0.16 -1.60 0.04 0.00 -1.53 0.00 0.00 36.38 33.13 2g0k s VAL 18 CO 0.20 0.50 0.77 0.68 -3.33 0.00 0.00 175.10 173.92 2g0k s VAL 19 N 0.70 2.67 0.09 2.04 -7.23 0.18 -4.93 120.40 113.91 2g0k s VAL 19 Ca -0.11 -0.69 0.09 0.00 -1.81 0.00 0.00 61.98 59.45 2g0k s VAL 19 Cb -0.16 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2g0k s VAL 19 CO 0.02 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.87 2g0k s LYS 20 N -4.75 1.85 -0.21 4.82 2.36 -1.26 -1.58 119.74 120.96 2g0k s LYS 20 Ca 0.58 -1.13 -0.04 0.00 -2.55 0.00 0.00 55.97 52.83 2g0k s LYS 20 Cb -0.10 -2.12 0.09 0.00 -1.05 0.00 0.00 37.83 34.65 2g0k s LYS 20 CO 0.38 0.50 0.19 0.54 1.55 0.00 0.00 175.35 178.51 2g0k s VAL 21 N -1.06 -0.26 -0.20 4.02 0.11 -0.24 -0.91 120.40 121.87 2g0k s VAL 21 Ca 0.16 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2g0k s VAL 21 Cb -0.10 -0.71 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2g0k s VAL 21 CO 0.08 -0.29 -0.12 0.00 -3.33 0.00 0.00 175.10 171.43 2g0k s ALA 22 N 2.27 2.15 0.19 1.54 0.00 0.24 -1.46 121.76 126.69 2g0k s ALA 22 Ca 0.06 -1.28 -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 -0.16 -0.77 0.72 0.20 0.00 0.00 0.00 175.76 175.75 2g0k s GLY 23 N 1.33 2.68 -0.16 0.00 0.00 -0.84 0.33 107.32 110.66 2g0k s GLY 23 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.86 2g0k s GLY 23 CO -0.09 0.58 0.06 0.00 0.00 0.00 0.00 173.10 173.65 2g0k s ALA 24 N -1.40 0.64 0.00 3.20 0.00 1.61 -2.41 121.76 123.39 2g0k s ALA 24 Ca 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2g0k s ALA 24 Cb -0.18 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2g0k s ALA 24 CO 0.22 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2g0k n GLY 25 N 5.19 1.53 0.00 0.00 0.00 -1.25 -2.36 105.19 108.30 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 -0.97 -4.81 117.00 112.28 2g0k n LEU 26 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2g0k n LEU 26 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2g0k n LEU 26 CO 0.00 -0.20 0.37 -1.10 -1.33 0.00 0.00 177.39 175.13 2g0k s GLN 27 N 0.04 4.33 0.14 3.23 -0.21 -1.26 -4.72 119.66 121.21 2g0k s GLN 27 Ca 0.00 0.72 -0.30 0.00 0.02 0.00 0.00 55.36 55.80 2g0k s GLN 27 Cb 0.00 -3.50 -0.07 0.00 1.00 0.00 0.00 33.01 30.44 2g0k s GLN 27 CO 0.00 -0.06 1.16 0.00 -2.12 0.00 0.00 175.29 174.27 2g0k s ALA 28 N 1.28 3.40 0.00 6.09 0.00 -1.26 -2.49 121.76 128.78 2g0k s ALA 28 Ca 0.32 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2g0k s ALA 28 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2g0k s ALA 28 CO 0.13 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2g0k n GLY 29 N 2.45 0.42 3.83 0.00 0.00 -1.13 -4.97 105.19 105.79 2g0k n GLY 29 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.93 5.30 0.35 2.61 2.01 -1.04 -4.86 115.64 118.07 2g0k s THR 30 Ca 0.00 0.50 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 2g0k s THR 30 Cb 0.00 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 2g0k s THR 30 CO 0.00 0.55 0.72 0.00 -0.69 0.00 0.00 174.62 175.20 2g0k s ALA 31 N -0.70 3.38 0.02 7.40 0.00 -1.26 -1.73 121.76 128.87 2g0k s ALA 31 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2g0k s ALA 31 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 2g0k s ALA 31 CO 0.07 0.20 -0.04 0.71 0.00 0.00 0.00 175.76 176.70 2g0k s TYR 32 N -2.14 0.32 -0.27 0.00 2.02 -0.68 -3.60 117.35 113.00 2g0k s TYR 32 Ca 0.51 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.69 2g0k s TYR 32 Cb -0.10 -0.22 0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2g0k s TYR 32 CO 0.25 -0.16 0.00 -0.51 -1.57 0.00 0.00 175.55 173.56 2g0k s ASP 33 N -1.38 4.67 -0.00 2.29 1.01 0.54 -2.99 116.67 120.81 2g0k s ASP 33 Ca -0.14 -0.80 -0.01 0.00 0.71 0.00 0.00 52.55 52.31 2g0k s ASP 33 Cb -0.09 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 2g0k s ASP 33 CO -0.01 -0.15 0.13 -0.69 0.21 0.00 0.00 175.17 174.66 2g0k s VAL 34 N 1.40 5.06 0.10 -1.27 1.01 -0.72 0.64 120.40 126.62 2g0k s VAL 34 Ca 0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 2g0k s VAL 34 Cb -0.17 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 32.95 2g0k s VAL 34 CO -0.01 0.32 1.07 -0.83 0.00 0.00 0.00 175.10 175.65 2g0k s GLY 35 N -1.88 -0.26 -0.17 4.51 0.00 2.07 -0.12 107.32 111.48 2g0k s GLY 35 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2g0k s GLY 35 CO 0.17 0.29 -0.16 1.62 0.00 0.00 0.00 173.10 175.02 2g0k s GLN 36 N -2.93 3.14 0.08 2.90 0.74 -1.26 0.12 119.66 122.45 2g0k s GLN 36 Ca 0.14 -0.77 0.07 0.00 0.05 0.00 0.00 55.36 54.85 2g0k s GLN 36 Cb 0.00 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.45 2g0k s GLN 36 CO 0.01 -0.09 -0.20 0.00 -0.55 0.00 0.00 175.29 174.46 2g0k s ALA 38 N -1.05 1.84 0.03 0.00 0.00 0.87 -2.01 121.76 121.44 2g0k s ALA 38 Ca 0.06 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 2g0k s ALA 38 Cb -0.10 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 2g0k s ALA 38 CO 0.03 0.34 1.66 -0.46 0.00 0.00 0.00 175.76 177.33 2g0k s TRP 39 N -0.02 2.26 -0.21 0.00 -0.00 -1.24 -0.40 118.94 119.32 2g0k s TRP 39 Ca -0.05 0.26 -0.01 0.00 -0.00 0.00 0.00 56.10 56.30 2g0k s TRP 39 Cb -0.13 -3.95 -0.13 0.00 -0.00 0.00 0.00 33.47 29.26 2g0k s TRP 39 CO 0.03 -3.90 -0.21 1.33 -0.00 0.00 0.00 176.95 174.20 2g0k n VAL 40 N 4.96 1.21 -4.42 5.86 0.24 -0.20 -4.82 118.33 121.15 2g0k n VAL 40 Ca 0.16 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.34 61.81 2g0k n VAL 40 Cb 0.41 -1.36 -0.07 0.00 -1.47 0.00 0.00 33.84 31.36 2g0k n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2g0k n ASP 41 N -3.29 0.93 -4.62 -1.34 9.92 0.31 -5.02 116.55 113.43 2g0k n ASP 41 Ca -0.39 -2.98 -0.43 0.00 -0.53 0.00 0.00 54.79 50.47 2g0k n ASP 41 Cb 0.88 1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 42.36 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2g0k s THR 42 N -2.99 3.66 -0.00 -3.53 2.01 -1.26 -1.85 115.64 111.68 2g0k s THR 42 Ca 0.21 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2g0k s THR 42 Cb 0.01 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2g0k s THR 42 CO 0.15 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2g0k n GLY 43 N 4.86 0.35 2.97 4.40 0.00 -1.26 -4.99 105.19 111.52 2g0k n GLY 43 Ca 0.20 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2g0k n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s VAL 44 N -1.70 1.07 -0.00 1.61 0.11 -0.77 -5.11 120.40 115.61 2g0k s VAL 44 Ca 0.00 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2g0k s VAL 44 Cb 0.00 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 2g0k s VAL 44 CO 0.00 0.36 -0.09 -1.48 -3.33 0.00 0.00 175.10 170.56 2g0k s LEU 45 N 1.14 2.04 0.05 2.54 2.34 -1.26 -0.53 118.68 124.99 2g0k s LEU 45 Ca -0.06 -0.19 -0.10 0.00 0.06 0.00 0.00 54.13 53.84 2g0k s LEU 45 Cb -0.14 -0.42 -0.06 0.00 -0.56 0.00 0.00 46.19 45.01 2g0k s LEU 45 CO -0.02 0.08 0.37 0.00 -1.06 0.00 0.00 176.35 175.72 2g0k s ALA 46 N -0.30 3.74 0.25 1.48 0.00 0.46 -3.89 121.76 123.50 2g0k s ALA 46 Ca 0.02 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.66 2g0k s ALA 46 Cb -0.04 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2g0k s ALA 46 CO -0.00 0.57 0.20 0.00 0.00 0.00 0.00 175.76 176.53 2g0k s ASN 48 N -3.83 4.37 0.00 0.00 2.47 -0.76 0.23 114.94 117.41 2g0k s ASN 48 Ca 0.33 -1.25 0.19 0.00 0.42 0.00 0.00 52.86 52.55 2g0k s ASN 48 Cb -0.08 -1.58 1.12 0.00 -1.45 0.00 0.00 41.25 39.26 2g0k s ASN 48 CO 0.25 -0.18 1.52 -0.81 -3.72 0.00 0.00 177.10 174.17 2g0k n PRO 49 N 4.51 0.62 0.02 0.43 -0.04 -1.26 -2.08 135.00 137.20 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 0.44 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.97 3.28 -1.90 0.55 0.00 -1.26 -3.89 120.51 116.31 2g0k n ALA 50 Ca 0.14 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2g0k n ALA 50 Cb 0.06 -1.14 0.11 0.00 0.00 0.00 0.00 19.45 18.48 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 51 N -1.74 1.34 -4.55 0.00 5.68 -0.88 -5.02 116.55 111.38 2g0k n ASP 51 Ca 0.05 -2.90 -0.43 0.00 -0.50 0.00 0.00 54.79 51.01 2g0k n ASP 51 Cb 0.38 -0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 39.92 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2g0k s PHE 52 N -1.66 2.78 0.50 2.11 0.08 -1.22 -4.01 117.98 116.57 2g0k s PHE 52 Ca 0.31 0.21 0.08 0.00 0.12 0.00 0.00 56.93 57.65 2g0k s PHE 52 Cb 0.32 -4.16 0.03 0.00 -0.57 0.00 0.00 43.02 38.64 2g0k s PHE 52 CO -0.09 -1.34 0.52 0.45 -0.10 0.00 0.00 175.22 174.67 2g0k s SER 53 N 2.71 5.01 0.07 1.36 0.15 0.83 -4.98 113.70 118.85 2g0k s SER 53 Ca 0.36 -0.89 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 2g0k s SER 53 Cb -0.11 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2g0k s SER 53 CO 0.23 -0.99 0.18 -0.94 1.20 0.00 0.00 173.24 172.92 2g0k s SER 54 N -4.35 0.10 -0.04 5.45 1.04 -1.26 -1.89 113.70 112.75 2g0k s SER 54 Ca 0.49 -0.57 -0.29 0.00 0.48 0.00 0.00 55.95 56.05 2g0k s SER 54 Cb -0.04 0.32 0.11 0.00 0.10 0.00 0.00 66.02 66.50 2g0k s SER 54 CO 0.30 -0.67 0.92 0.54 0.98 0.00 0.00 173.24 175.30 2g0k s VAL 55 N -3.45 0.00 -0.09 5.02 0.11 -1.16 -4.96 120.40 115.87 2g0k s VAL 55 Ca 0.02 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2g0k s VAL 55 Cb 0.03 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2g0k s VAL 55 CO -0.09 0.00 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.68 2g0k s THR 56 N -2.78 1.19 0.72 5.04 2.01 -1.26 -1.68 115.64 118.87 2g0k s THR 56 Ca 0.04 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 2g0k s THR 56 Cb -0.01 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.39 2g0k s THR 56 CO -0.07 0.38 1.06 0.00 -0.69 0.00 0.00 174.62 175.30 2g0k n ALA 57 N 4.34 0.05 -2.49 7.40 0.00 -0.71 -4.84 120.51 124.27 2g0k n ALA 57 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2g0k n ALA 57 Cb 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2g0k n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 58 N -1.93 0.00 0.28 0.00 5.68 -0.83 -2.83 116.55 116.92 2g0k n ASP 58 Ca 0.14 -0.95 0.14 0.00 -0.50 0.00 0.00 54.79 53.62 2g0k n ASP 58 Cb 0.49 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.29 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g0k h ALA 59 N -0.15 1.38 -0.00 2.12 0.00 -1.94 0.15 119.26 120.82 2g0k h ALA 59 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2g0k h ALA 59 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2g0k h ALA 59 CO 0.00 0.08 -0.04 -1.71 0.00 0.00 0.00 179.25 177.58 2g0k n ASN 60 N -3.72 0.08 -0.09 0.00 5.15 -1.26 -4.86 115.26 110.56 2g0k n ASN 60 Ca -0.02 0.02 -0.01 0.00 -0.60 0.00 0.00 54.58 53.96 2g0k n ASN 60 Cb 0.17 -0.31 -0.01 0.00 -0.53 0.00 0.00 39.78 39.10 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 1.37 0.50 3.73 8.20 0.00 0.51 -4.75 105.19 114.75 2g0k n GLY 61 Ca 0.11 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.32 5.55 0.29 1.61 1.04 -1.26 -2.29 113.70 116.32 2g0k s SER 62 Ca 0.00 0.23 0.10 0.00 0.48 0.00 0.00 55.95 56.76 2g0k s SER 62 Cb 0.00 -1.64 -0.06 0.00 0.10 0.00 0.00 66.02 64.42 2g0k s SER 62 CO 0.00 0.38 -0.14 0.00 0.98 0.00 0.00 173.24 174.46 2g0k s ALA 63 N -0.89 2.68 -0.17 5.32 0.00 -1.01 -1.97 121.76 125.72 2g0k s ALA 63 Ca 0.13 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.10 2g0k s ALA 63 Cb -0.12 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 22.97 2g0k s ALA 63 CO 0.03 0.14 0.36 -1.54 0.00 0.00 0.00 175.76 174.75 2g0k s SER 64 N -3.51 -0.11 0.02 0.00 1.04 -1.26 -1.99 113.70 107.88 2g0k s SER 64 Ca 0.30 0.83 -0.16 0.00 0.48 0.00 0.00 55.95 57.40 2g0k s SER 64 Cb -0.01 1.01 0.03 0.00 0.10 0.00 0.00 66.02 67.15 2g0k s SER 64 CO 0.14 -0.22 0.35 -0.89 0.98 0.00 0.00 173.24 173.60 2g0k s THR 65 N 2.28 0.06 -0.23 2.02 2.01 -0.53 -4.94 115.64 116.30 2g0k s THR 65 Ca -0.03 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 2g0k s THR 65 Cb -0.11 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2g0k s THR 65 CO -0.11 -0.29 0.03 -0.44 -0.69 0.00 0.00 174.62 173.12 2g0k s SER 66 N -1.80 4.88 0.17 3.53 0.01 -1.26 -1.07 113.70 118.16 2g0k s SER 66 Ca -0.08 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 56.96 2g0k s SER 66 Cb -0.02 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 2g0k s SER 66 CO -0.00 -0.02 0.31 -0.22 0.41 0.00 0.00 173.24 173.72 2g0k s LEU 67 N 1.49 4.32 -0.16 2.44 0.20 -0.62 -4.92 118.68 121.44 2g0k s LEU 67 Ca 0.06 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 55.02 2g0k s LEU 67 Cb -0.15 -2.92 -0.02 0.00 -0.43 0.00 0.00 46.19 42.67 2g0k s LEU 67 CO 0.02 0.01 -0.08 0.28 -0.29 0.00 0.00 176.35 176.29 2g0k s THR 68 N -1.81 3.44 -0.20 3.68 -1.32 -1.26 0.50 115.64 118.67 2g0k s THR 68 Ca 0.35 -0.51 -0.10 0.00 -1.21 0.00 0.00 61.69 60.22 2g0k s THR 68 Cb -0.11 -2.49 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 2g0k s THR 68 CO 0.29 0.49 0.13 0.54 -2.21 0.00 0.00 174.62 173.86 2g0k s VAL 69 N 0.56 5.37 0.20 5.08 0.11 -1.20 -4.79 120.40 125.73 2g0k s VAL 69 Ca -0.05 0.18 0.09 0.00 -2.93 0.00 0.00 61.98 59.26 2g0k s VAL 69 Cb -0.15 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 2g0k s VAL 69 CO 0.03 0.43 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.04 2g0k s ARG 70 N 0.41 2.15 0.06 1.54 3.00 -1.26 -4.24 118.95 120.60 2g0k s ARG 70 Ca 0.08 -1.28 0.24 0.00 0.00 0.00 0.00 55.73 54.77 2g0k s ARG 70 Cb -0.11 -2.19 0.38 0.00 0.00 0.00 0.00 34.95 33.03 2g0k s ARG 70 CO -0.01 0.42 1.33 2.89 0.00 0.00 0.00 175.30 179.93 2g0k n ARG 71 N -0.16 0.17 -3.62 3.54 -4.01 -1.26 -4.51 116.66 106.81 2g0k n ARG 71 Ca -0.10 0.04 -0.11 0.00 -1.04 0.00 0.00 57.85 56.64 2g0k n ARG 71 Cb 0.56 -1.59 -0.07 0.00 -3.04 0.00 0.00 32.46 28.32 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2g0k s SER 72 N -3.66 -0.51 -0.26 2.89 0.01 -1.26 -0.14 113.70 110.77 2g0k s SER 72 Ca 0.08 0.89 -0.36 0.00 1.31 0.00 0.00 55.95 57.87 2g0k s SER 72 Cb 0.15 0.87 0.16 0.00 0.21 0.00 0.00 66.02 67.41 2g0k s SER 72 CO 0.72 -0.23 1.32 0.72 0.41 0.00 0.00 173.24 176.18 2g0k s PHE 73 N -0.07 -0.06 0.12 2.43 -0.12 -0.70 -4.93 117.98 114.66 2g0k s PHE 73 Ca 0.01 0.05 -0.31 0.00 -0.05 0.00 0.00 56.93 56.63 2g0k s PHE 73 Cb -0.04 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.75 2g0k s PHE 73 CO -0.02 -0.08 1.85 -1.83 -0.05 0.00 0.00 175.22 175.09 2g0k s GLU 74 N -1.95 4.13 -0.61 1.99 1.03 -1.26 0.32 118.70 122.35 2g0k s GLU 74 Ca 0.10 2.61 -0.26 0.00 0.03 0.00 0.00 54.97 57.46 2g0k s GLU 74 Cb -0.01 -3.63 0.04 0.00 -0.80 0.00 0.00 34.13 29.73 2g0k s GLU 74 CO -0.04 -0.86 1.10 0.20 -1.33 0.00 0.00 175.26 174.33 2g0k s GLY 75 N 2.85 1.20 -0.65 -3.83 0.00 0.29 -4.19 107.32 102.99 2g0k s GLY 75 Ca 0.82 -1.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.08 2g0k s GLY 75 CO 0.37 2.33 1.07 -1.36 0.00 0.00 0.00 173.10 175.50 2g0k s PHE 76 N 4.66 2.58 0.20 1.90 0.40 0.61 -1.03 117.98 127.31 2g0k s PHE 76 Ca 0.34 -0.18 -0.32 0.00 -0.60 0.00 0.00 56.93 56.17 2g0k s PHE 76 Cb -0.10 -4.36 -0.13 0.00 0.51 0.00 0.00 43.02 38.94 2g0k s PHE 76 CO 0.19 -1.69 1.57 -0.11 0.70 0.00 0.00 175.22 175.88 2g0k n LEU 77 N 8.19 3.42 -0.35 -0.37 7.94 0.12 0.11 117.00 136.07 2g0k n LEU 77 Ca 0.01 1.10 0.25 0.00 -1.11 0.00 0.00 56.01 56.26 2g0k n LEU 77 Cb 0.47 -1.48 0.53 0.00 0.53 0.00 0.00 43.42 43.48 2g0k n LEU 77 CO 0.67 -0.19 1.21 2.19 -1.11 0.00 0.00 177.39 180.16 2g0k h PHE 78 N 5.59 0.66 0.00 1.96 -5.15 -1.86 1.65 116.94 119.79 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.24 -0.18 0.00 0.00 0.22 0.00 0.00 35.95 37.23 2g0k h PHE 78 CO 0.61 -0.00 0.11 0.22 -2.00 0.00 0.00 178.31 177.24 2g0k h ASP 79 N 0.34 0.00 0.00 -0.68 3.58 -1.93 -3.44 116.42 114.29 2g0k h ASP 79 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 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 -0.34 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.63 2g0k n GLY 80 N -1.24 1.51 3.52 -0.78 0.00 0.56 -5.10 105.19 103.66 2g0k n GLY 80 Ca -0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 3.03 -0.74 2.61 2.01 -1.07 -4.93 115.64 114.55 2g0k s THR 81 Ca 0.00 -1.44 -0.23 0.00 0.31 0.00 0.00 61.69 60.32 2g0k s THR 81 Cb 0.00 -2.41 0.06 0.00 0.01 0.00 0.00 72.50 70.17 2g0k s THR 81 CO 0.00 0.09 1.11 -0.13 -0.69 0.00 0.00 174.62 175.00 2g0k s ARG 82 N -2.21 3.23 0.04 4.92 0.52 -1.26 0.13 118.95 124.31 2g0k s ARG 82 Ca 0.19 -0.80 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 2g0k s ARG 82 Cb -0.11 -4.39 -0.17 0.00 0.52 0.00 0.00 34.95 30.80 2g0k s ARG 82 CO 0.12 -1.94 1.51 2.35 0.02 0.00 0.00 175.30 177.36 2g0k h TRP 83 N 9.63 -0.14 0.00 -0.53 2.91 -1.45 -3.48 115.95 122.89 2g0k h TRP 83 Ca -0.19 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.82 2g0k h TRP 83 Cb 1.05 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2g0k h TRP 83 CO 1.06 0.09 0.00 0.41 -1.03 0.00 0.00 178.44 178.97 2g0k n GLY 84 N -0.62 1.08 3.73 2.65 0.00 -1.23 -4.94 105.19 105.86 2g0k n GLY 84 Ca -0.08 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 2g0k n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g0k n THR 85 N -1.95 0.85 -4.26 2.61 -1.04 -1.26 0.11 114.28 109.33 2g0k n THR 85 Ca 0.00 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 2g0k n THR 85 Cb 0.00 -1.89 -0.11 0.00 -1.82 0.00 0.00 70.33 66.52 2g0k n THR 85 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2g0k s VAL 86 N 0.16 3.10 -0.52 12.58 1.01 0.15 -4.77 120.40 132.12 2g0k s VAL 86 Ca 0.66 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2g0k s VAL 86 Cb -0.52 -2.44 0.14 0.00 0.00 0.00 0.00 36.38 33.55 2g0k s VAL 86 CO 0.46 0.10 0.31 -1.81 0.00 0.00 0.00 175.10 174.16 2g0k s ASP 87 N -2.19 5.09 0.60 3.32 1.11 -1.26 -1.72 116.67 121.62 2g0k s ASP 87 Ca 0.20 -2.54 0.29 0.00 0.18 0.00 0.00 52.55 50.68 2g0k s ASP 87 Cb -0.11 -1.80 1.53 0.00 1.07 0.00 0.00 42.92 43.61 2g0k s ASP 87 CO 0.12 -0.41 1.94 0.00 1.18 0.00 0.00 175.17 178.00 2g0k n THR 89 N -3.66 0.04 -0.02 0.00 -2.24 -1.21 -3.45 114.28 103.74 2g0k n THR 89 Ca 0.06 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 2g0k n THR 89 Cb 0.57 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.44 0.30 -4.53 4.28 -1.04 0.53 -5.03 114.28 108.35 2g0k n THR 90 Ca 0.18 -0.22 -0.27 0.00 -2.04 0.00 0.00 64.05 61.71 2g0k n THR 90 Cb 0.19 -0.59 -0.08 0.00 -1.82 0.00 0.00 70.33 68.03 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 -2.20 3.06 -0.21 2.41 0.00 -0.54 -5.06 121.76 119.22 2g0k s ALA 91 Ca -0.03 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 2g0k s ALA 91 Cb 0.02 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2g0k s ALA 91 CO 0.24 -0.35 0.29 0.00 0.00 0.00 0.00 175.76 175.93 2g0k s ALA 92 N -3.16 3.59 0.14 0.00 0.00 -1.26 -4.65 121.76 116.42 2g0k s ALA 92 Ca 0.21 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2g0k s ALA 92 Cb 0.01 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2g0k s ALA 92 CO 0.15 -0.17 0.16 0.00 0.00 0.00 0.00 175.76 175.90 2g0k s GLN 94 N -2.99 0.62 0.37 0.00 -2.07 -0.85 0.38 119.66 115.11 2g0k s GLN 94 Ca 0.31 -0.07 0.03 0.00 -1.82 0.00 0.00 55.36 53.81 2g0k s GLN 94 Cb -0.11 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 2g0k s GLN 94 CO 0.24 -0.16 0.54 0.08 -1.32 0.00 0.00 175.29 174.67 2g0k s VAL 95 N -1.06 4.34 -0.16 3.63 1.01 -0.89 -1.57 120.40 125.70 2g0k s VAL 95 Ca -0.11 -0.74 -0.33 0.00 0.00 0.00 0.00 61.98 60.80 2g0k s VAL 95 Cb -0.05 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.91 2g0k s VAL 95 CO 0.04 -0.30 1.14 -0.83 0.00 0.00 0.00 175.10 175.15 2g0k s GLY 96 N -4.15 -0.29 -0.03 4.51 0.00 0.12 -4.19 107.32 103.30 2g0k s GLY 96 Ca 0.44 1.62 -0.02 0.00 0.00 0.00 0.00 44.72 46.77 2g0k s GLY 96 CO 0.34 0.58 0.06 0.48 0.00 0.00 0.00 173.10 174.57 2g0k s LEU 97 N -2.05 1.58 0.11 0.66 2.34 2.86 0.53 118.68 124.71 2g0k s LEU 97 Ca 0.07 0.12 0.06 0.00 0.06 0.00 0.00 54.13 54.45 2g0k s LEU 97 Cb -0.01 0.17 -0.04 0.00 -0.56 0.00 0.00 46.19 45.76 2g0k s LEU 97 CO -0.05 -0.05 -0.15 -0.44 -1.06 0.00 0.00 176.35 174.60 2g0k s SER 98 N 0.29 2.00 0.06 1.48 0.01 1.22 -3.16 113.70 115.61 2g0k s SER 98 Ca -0.02 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2g0k s SER 98 Cb -0.03 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2g0k s SER 98 CO -0.01 -0.11 0.00 -0.90 0.41 0.00 0.00 173.24 172.63 2g0k n ASP 99 N 0.70 0.00 0.02 2.44 5.75 -0.03 0.20 116.55 125.64 2g0k n ASP 99 Ca -0.17 -0.61 -0.11 0.00 -0.01 0.00 0.00 54.79 53.89 2g0k n ASP 99 Cb 0.56 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.27 0.03 0.00 2.12 0.00 -1.90 -1.67 119.26 117.57 2g0k h ALA 100 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2g0k h ALA 100 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2g0k h ALA 100 CO 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 179.25 178.53 2g0k h ALA 101 N 1.04 1.11 0.00 0.00 0.00 -1.95 -3.46 119.26 116.00 2g0k h ALA 101 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2g0k h ALA 101 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2g0k h ALA 101 CO -0.04 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2g0k n GLY 102 N -0.13 0.92 3.72 0.00 0.00 -0.63 -5.13 105.19 103.95 2g0k n GLY 102 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.82 3.94 0.00 1.61 4.22 -1.26 -4.70 114.94 116.92 2g0k s ASN 103 Ca 0.00 -1.65 0.00 0.00 -2.14 0.00 0.00 52.86 49.07 2g0k s ASN 103 Cb 0.00 0.49 0.00 0.00 1.28 0.00 0.00 41.25 43.02 2g0k s ASN 103 CO 0.00 -0.85 0.00 0.61 -2.04 0.00 0.00 177.10 174.82 2g0k n GLY 104 N -1.20 0.96 3.73 0.45 0.00 -1.26 -0.85 105.19 107.02 2g0k n GLY 104 Ca -0.17 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.29 4.46 0.02 1.61 0.04 -1.26 -4.67 135.00 133.91 2g0k s PRO 105 Ca 0.00 1.89 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2g0k s PRO 105 Cb 0.00 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2g0k s PRO 105 CO 0.00 -0.14 -0.06 -2.00 0.04 0.00 0.00 177.00 174.83 2g0k s GLU 106 N 0.02 0.46 0.00 4.56 2.12 -1.26 -4.22 118.70 120.39 2g0k s GLU 106 Ca 0.55 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2g0k s GLU 106 Cb -0.33 -0.35 0.00 0.00 0.26 0.00 0.00 34.13 33.71 2g0k s GLU 106 CO 0.35 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2g0k n GLY 107 N 2.31 0.28 2.70 -1.50 0.00 -1.26 -3.98 105.19 103.74 2g0k n GLY 107 Ca -0.17 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.69 0.16 1.61 1.01 -1.26 -4.92 120.40 117.68 2g0k s VAL 108 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2g0k s VAL 108 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2g0k s VAL 108 CO 0.00 -0.65 0.32 0.00 0.00 0.00 0.00 175.10 174.77 2g0k s ALA 109 N 1.72 3.91 0.28 5.51 0.00 -1.26 -2.09 121.76 129.82 2g0k s ALA 109 Ca 0.09 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.26 2g0k s ALA 109 Cb -0.17 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 2g0k s ALA 109 CO -0.26 0.54 -0.16 0.42 0.00 0.00 0.00 175.76 176.31 2g0k s ILE 110 N -1.76 2.20 -0.17 0.00 1.01 1.20 -4.84 121.20 118.84 2g0k s ILE 110 Ca 0.37 -2.30 -0.05 0.00 0.00 0.00 0.00 60.65 58.66 2g0k s ILE 110 Cb -0.11 -2.32 0.09 0.00 0.01 0.00 0.00 42.46 40.12 2g0k s ILE 110 CO 0.28 -0.39 0.31 -0.55 0.00 0.00 0.00 174.94 174.59 2g0k s SER 111 N -3.48 0.32 -0.17 3.58 0.15 -1.01 -3.79 113.70 109.30 2g0k s SER 111 Ca 0.29 0.52 -0.15 0.00 0.70 0.00 0.00 55.95 57.31 2g0k s SER 111 Cb -0.02 0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 2g0k s SER 111 CO 0.13 -0.26 0.37 -0.36 1.20 0.00 0.00 173.24 174.32 2g0k s PHE 112 N 2.48 3.43 0.00 3.44 0.40 -1.26 -3.56 117.98 122.91 2g0k s PHE 112 Ca 0.03 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.01 2g0k s PHE 112 Cb -0.13 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.95 2g0k s PHE 112 CO -0.11 0.13 0.00 0.27 0.70 0.00 0.00 175.22 176.20