#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 3.45 1.10 0.00 0.00 -1.26 -4.90 121.76 120.15 2g0k s ALA 2 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 2g0k s ALA 2 Cb 0.00 -2.66 0.15 0.00 0.00 0.00 0.00 23.12 20.61 2g0k s ALA 2 CO 0.00 0.39 0.62 -0.35 0.00 0.00 0.00 175.76 176.43 2g0k n PRO 3 N 0.24 -1.80 -3.46 0.00 -0.04 -1.26 -4.77 135.00 123.92 2g0k n PRO 3 Ca -0.01 -0.99 -0.43 0.00 -0.04 0.00 0.00 63.50 62.04 2g0k n PRO 3 Cb 0.52 -0.85 -0.09 0.00 -0.04 0.00 0.00 33.50 33.04 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 -2.20 5.17 -0.05 0.52 2.01 -0.88 -4.47 115.64 115.75 2g0k s THR 4 Ca 0.39 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.66 2g0k s THR 4 Cb -0.03 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2g0k s THR 4 CO 0.29 -0.38 -0.25 0.00 -0.69 0.00 0.00 174.62 173.59 2g0k s ALA 5 N 1.65 2.16 -0.38 7.40 0.00 -1.23 0.50 121.76 131.87 2g0k s ALA 5 Ca 0.04 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 2g0k s ALA 5 Cb -0.20 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2g0k s ALA 5 CO 0.09 0.45 0.34 0.95 0.00 0.00 0.00 175.76 177.59 2g0k s THR 6 N -0.31 5.20 0.14 0.00 -4.23 1.22 -4.74 115.64 112.92 2g0k s THR 6 Ca 0.01 -0.33 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 2g0k s THR 6 Cb -0.13 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2g0k s THR 6 CO 0.02 -0.23 0.10 0.68 -0.54 0.00 0.00 174.62 174.66 2g0k s VAL 7 N 1.88 4.41 1.23 2.29 -7.23 -1.23 -0.54 120.40 121.21 2g0k s VAL 7 Ca 0.09 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 59.04 2g0k s VAL 7 Cb -0.18 -3.21 0.30 0.00 0.56 0.00 0.00 36.38 33.85 2g0k s VAL 7 CO 0.11 -0.04 1.07 0.28 -0.31 0.00 0.00 175.10 176.21 2g0k s THR 8 N -1.64 1.57 -0.23 5.32 -1.32 0.12 -4.83 115.64 114.63 2g0k s THR 8 Ca 0.30 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.49 2g0k s THR 8 Cb -0.11 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 2g0k s THR 8 CO 0.22 0.00 1.46 -2.16 -2.21 0.00 0.00 174.62 171.94 2g0k s PRO 9 N -5.26 3.92 -0.44 7.08 0.04 -1.26 -4.66 135.00 134.41 2g0k s PRO 9 Ca 0.70 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.32 2g0k s PRO 9 Cb -0.12 -3.94 0.45 0.00 0.04 0.00 0.00 34.50 30.93 2g0k s PRO 9 CO 0.57 -1.13 1.48 -1.13 0.04 0.00 0.00 177.00 176.83 2g0k n SER 10 N 7.85 5.89 -4.06 6.66 3.41 -1.26 -4.89 113.62 127.21 2g0k n SER 10 Ca 0.17 -3.76 -0.32 0.00 -0.26 0.00 0.00 58.87 54.69 2g0k n SER 10 Cb 0.45 -0.58 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.94 4.67 0.00 4.04 1.04 -1.22 -1.91 113.70 117.38 2g0k s SER 11 Ca 0.55 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2g0k s SER 11 Cb 0.44 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2g0k s SER 11 CO -0.01 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2g0k n GLY 12 N 4.39 1.33 3.65 7.32 0.00 -0.28 -4.65 105.19 116.94 2g0k n GLY 12 Ca -0.06 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 3.87 0.49 0.99 1.43 -1.26 -4.72 118.68 119.48 2g0k s LEU 13 Ca 0.00 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2g0k s LEU 13 Cb 0.00 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2g0k s LEU 13 CO 0.00 0.18 0.48 -0.44 0.23 0.00 0.00 176.35 176.80 2g0k s SER 14 N 0.34 4.95 0.28 2.29 0.01 -1.26 -4.80 113.70 115.50 2g0k s SER 14 Ca 0.04 -0.92 -0.28 0.00 1.31 0.00 0.00 55.95 56.10 2g0k s SER 14 Cb -0.12 -0.08 -0.14 0.00 0.21 0.00 0.00 66.02 65.89 2g0k s SER 14 CO -0.00 -0.94 0.94 -0.90 0.41 0.00 0.00 173.24 172.75 2g0k n ASP 15 N -1.77 0.96 0.00 2.44 5.68 -1.26 -1.75 116.55 120.86 2g0k n ASP 15 Ca 0.04 1.17 0.00 0.00 -0.50 0.00 0.00 54.79 55.51 2g0k n ASP 15 Cb 0.62 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 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 1.32 3.00 3.83 6.12 0.00 -1.25 -5.05 105.19 113.17 2g0k n GLY 16 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.75 4.46 -0.07 2.61 2.01 -0.71 -4.95 115.64 116.23 2g0k s THR 17 Ca 0.00 1.36 0.03 0.00 0.31 0.00 0.00 61.69 63.38 2g0k s THR 17 Cb 0.00 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.87 2g0k s THR 17 CO 0.00 -0.48 -0.14 0.54 -0.69 0.00 0.00 174.62 173.85 2g0k s VAL 18 N -2.37 1.31 0.51 3.82 0.11 -1.26 -1.28 120.40 121.24 2g0k s VAL 18 Ca 0.60 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2g0k s VAL 18 Cb -0.09 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 2g0k s VAL 18 CO 0.21 0.39 0.71 0.68 -3.33 0.00 0.00 175.10 173.76 2g0k s VAL 19 N 0.58 2.74 0.10 2.04 -7.23 0.11 -4.92 120.40 113.82 2g0k s VAL 19 Ca -0.15 -0.79 0.09 0.00 -1.81 0.00 0.00 61.98 59.31 2g0k s VAL 19 Cb -0.16 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2g0k s VAL 19 CO 0.05 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.90 2g0k s LYS 20 N -4.63 1.82 -0.23 4.82 2.36 -1.26 -1.35 119.74 121.26 2g0k s LYS 20 Ca 0.57 -1.15 -0.04 0.00 -2.55 0.00 0.00 55.97 52.81 2g0k s LYS 20 Cb -0.10 -2.11 0.10 0.00 -1.05 0.00 0.00 37.83 34.67 2g0k s LYS 20 CO 0.37 0.49 0.19 0.54 1.55 0.00 0.00 175.35 178.49 2g0k s VAL 21 N -1.08 -0.23 -0.22 4.02 0.11 -0.54 -0.71 120.40 121.75 2g0k s VAL 21 Ca 0.17 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2g0k s VAL 21 Cb -0.10 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2g0k s VAL 21 CO 0.09 -0.38 -0.14 0.00 -3.33 0.00 0.00 175.10 171.33 2g0k s ALA 22 N 2.24 2.48 0.18 1.54 0.00 0.30 -2.29 121.76 126.22 2g0k s ALA 22 Ca 0.07 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 2g0k s ALA 22 Cb -0.16 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.47 2g0k s ALA 22 CO -0.20 -0.72 0.73 0.20 0.00 0.00 0.00 175.76 175.77 2g0k s GLY 23 N 1.23 2.75 -0.15 0.00 0.00 -1.13 0.38 107.32 110.40 2g0k s GLY 23 Ca -0.01 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 44.92 2g0k s GLY 23 CO -0.09 0.67 0.05 0.00 0.00 0.00 0.00 173.10 173.73 2g0k s ALA 24 N -1.32 0.70 0.00 3.20 0.00 1.87 -3.21 121.76 123.00 2g0k s ALA 24 Ca 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2g0k s ALA 24 Cb -0.20 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2g0k s ALA 24 CO 0.23 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2g0k n GLY 25 N 5.16 1.60 0.00 0.00 0.00 -1.26 -2.06 105.19 108.63 2g0k n GLY 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.68 0.99 4.77 -1.17 -4.79 117.00 112.12 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 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2g0k n LEU 26 CO 0.00 -0.19 0.35 -1.10 -1.33 0.00 0.00 177.39 175.12 2g0k s GLN 27 N 0.12 4.26 0.16 3.23 -0.21 -1.26 -4.81 119.66 121.14 2g0k s GLN 27 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 55.36 55.70 2g0k s GLN 27 Cb 0.00 -3.54 -0.08 0.00 1.00 0.00 0.00 33.01 30.39 2g0k s GLN 27 CO 0.00 -0.14 1.20 0.00 -2.12 0.00 0.00 175.29 174.23 2g0k s ALA 28 N 1.58 3.43 0.00 6.09 0.00 -1.26 -2.37 121.76 129.23 2g0k s ALA 28 Ca 0.29 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2g0k s ALA 28 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2g0k s ALA 28 CO 0.11 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2g0k n GLY 29 N 2.45 0.45 3.79 0.00 0.00 -1.20 -4.97 105.19 105.71 2g0k n GLY 29 Ca 0.05 0.00 -0.36 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 -2.01 5.40 0.41 2.61 2.01 -1.00 -4.88 115.64 118.18 2g0k s THR 30 Ca 0.00 0.31 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 2g0k s THR 30 Cb 0.00 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 68.94 2g0k s THR 30 CO 0.00 0.51 0.84 0.00 -0.69 0.00 0.00 174.62 175.28 2g0k s ALA 31 N -0.26 3.22 0.01 7.40 0.00 -1.26 -2.14 121.76 128.73 2g0k s ALA 31 Ca 0.13 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.18 2g0k s ALA 31 Cb -0.12 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2g0k s ALA 31 CO 0.02 0.08 -0.03 0.71 0.00 0.00 0.00 175.76 176.54 2g0k s TYR 32 N -2.27 0.30 -0.21 0.00 2.02 -0.90 -3.59 117.35 112.71 2g0k s TYR 32 Ca 0.56 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.93 2g0k s TYR 32 Cb -0.10 -0.19 -0.02 0.00 -0.40 0.00 0.00 41.96 41.25 2g0k s TYR 32 CO 0.23 -0.08 -0.02 0.34 -1.57 0.00 0.00 175.55 174.45 2g0k s ASP 33 N -0.81 4.57 0.07 2.29 2.15 8.14 -3.31 116.67 129.77 2g0k s ASP 33 Ca -0.07 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 52.63 2g0k s ASP 33 Cb -0.06 -1.78 -0.04 0.00 -0.30 0.00 0.00 42.92 40.74 2g0k s ASP 33 CO -0.00 0.02 0.16 -0.69 -0.17 0.00 0.00 175.17 174.49 2g0k s VAL 34 N 1.23 5.05 -0.24 1.11 1.01 -1.08 1.46 120.40 128.94 2g0k s VAL 34 Ca 0.03 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 2g0k s VAL 34 Cb -0.14 -3.46 0.15 0.00 0.00 0.00 0.00 36.38 32.93 2g0k s VAL 34 CO -0.00 0.13 1.17 -0.83 0.00 0.00 0.00 175.10 175.57 2g0k s GLY 35 N -2.49 -0.05 -0.33 4.51 0.00 6.31 -2.51 107.32 112.75 2g0k s GLY 35 Ca 0.33 2.60 -0.19 0.00 0.00 0.00 0.00 44.72 47.46 2g0k s GLY 35 CO 0.26 1.34 0.55 1.62 0.00 0.00 0.00 173.10 176.86 2g0k s GLN 36 N -0.67 3.73 0.31 2.90 0.74 -1.25 -0.20 119.66 125.22 2g0k s GLN 36 Ca 0.03 -0.00 0.07 0.00 0.05 0.00 0.00 55.36 55.51 2g0k s GLN 36 Cb -0.02 -3.78 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 2g0k s GLN 36 CO -0.05 -0.61 0.35 0.00 -0.55 0.00 0.00 175.29 174.43 2g0k s ALA 38 N -2.19 -0.82 0.03 0.00 0.00 0.23 -2.60 121.76 116.41 2g0k s ALA 38 Ca 0.40 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 2g0k s ALA 38 Cb -0.08 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 2g0k s ALA 38 CO 0.28 -0.22 1.55 -0.46 0.00 0.00 0.00 175.76 176.91 2g0k s TRP 39 N 1.17 2.55 -0.11 0.00 -0.00 -1.26 -1.55 118.94 119.73 2g0k s TRP 39 Ca -0.08 0.50 -0.00 0.00 -0.00 0.00 0.00 56.10 56.52 2g0k s TRP 39 Cb -0.08 -3.84 -0.07 0.00 -0.00 0.00 0.00 33.47 29.48 2g0k s TRP 39 CO -0.09 -3.30 -0.11 1.33 -0.00 0.00 0.00 176.95 174.78 2g0k n VAL 40 N 4.78 0.64 -4.09 5.86 0.24 -0.62 -4.92 118.33 120.23 2g0k n VAL 40 Ca 0.15 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 2g0k n VAL 40 Cb 0.42 -1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 31.73 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2g0k n ASP 41 N -2.94 -1.07 -4.61 -1.34 -0.08 -0.60 -5.01 116.55 100.89 2g0k n ASP 41 Ca -0.20 -2.81 -0.43 0.00 -1.51 0.00 0.00 54.79 49.84 2g0k n ASP 41 Cb 0.70 2.09 -0.03 0.00 2.34 0.00 0.00 41.12 46.23 2g0k n ASP 41 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2g0k s THR 42 N -2.91 3.33 0.00 5.18 -1.32 -1.26 -1.33 115.64 117.33 2g0k s THR 42 Ca 0.29 0.34 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 2g0k s THR 42 Cb -0.00 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 2g0k s THR 42 CO 0.21 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 2g0k n GLY 43 N 5.34 0.33 3.20 6.08 0.00 -1.26 -4.96 105.19 113.92 2g0k n GLY 43 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.76 3.58 0.14 1.61 1.01 -0.44 -5.09 120.40 119.45 2g0k s VAL 44 Ca 0.00 -1.57 0.06 0.00 0.00 0.00 0.00 61.98 60.47 2g0k s VAL 44 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2g0k s VAL 44 CO 0.00 -0.43 0.06 -0.76 0.00 0.00 0.00 175.10 173.97 2g0k s LEU 45 N 1.29 3.57 -0.08 3.92 1.43 -1.26 -1.56 118.68 126.00 2g0k s LEU 45 Ca 0.02 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2g0k s LEU 45 Cb -0.22 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.79 2g0k s LEU 45 CO -0.01 0.11 -0.13 0.00 0.23 0.00 0.00 176.35 176.56 2g0k s ALA 46 N -1.61 1.34 0.17 4.21 0.00 -0.60 -2.75 121.76 122.52 2g0k s ALA 46 Ca 0.29 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.82 2g0k s ALA 46 Cb -0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2g0k s ALA 46 CO 0.21 0.05 0.10 0.00 0.00 0.00 0.00 175.76 176.12 2g0k s ASN 48 N -3.06 4.50 0.00 0.00 2.47 -1.04 0.82 114.94 118.62 2g0k s ASN 48 Ca 0.30 -1.11 0.20 0.00 0.42 0.00 0.00 52.86 52.67 2g0k s ASN 48 Cb -0.10 -1.65 1.16 0.00 -1.45 0.00 0.00 41.25 39.21 2g0k s ASN 48 CO 0.22 -0.18 1.57 -0.81 -3.72 0.00 0.00 177.10 174.18 2g0k n PRO 49 N 4.60 0.60 0.02 0.43 -0.04 -1.26 -1.98 135.00 137.36 2g0k n PRO 49 Ca -0.15 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2g0k n PRO 49 Cb 0.45 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.02 3.50 -1.95 0.55 0.00 -1.26 -4.02 120.51 116.31 2g0k n ALA 50 Ca 0.14 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.26 2g0k n ALA 50 Cb 0.07 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.75 1.26 -4.47 0.00 5.68 -0.84 -5.03 116.55 111.41 2g0k n ASP 51 Ca 0.04 -2.78 -0.39 0.00 -0.50 0.00 0.00 54.79 51.17 2g0k n ASP 51 Cb 0.38 -0.38 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 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 -1.44 3.18 0.19 2.11 -0.12 -1.18 -3.96 117.98 116.77 2g0k s PHE 52 Ca 0.30 -0.45 0.03 0.00 -0.05 0.00 0.00 56.93 56.77 2g0k s PHE 52 Cb 0.31 -2.37 0.03 0.00 -0.63 0.00 0.00 43.02 40.36 2g0k s PHE 52 CO -0.09 -0.41 0.26 0.45 -0.05 0.00 0.00 175.22 175.38 2g0k n SER 53 N 5.01 0.75 -3.83 1.98 2.88 -1.04 -4.95 113.62 114.42 2g0k n SER 53 Ca -0.14 -1.52 -0.11 0.00 -1.33 0.00 0.00 58.87 55.78 2g0k n SER 53 Cb 0.50 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.74 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 -2.19 -0.00 -0.08 -3.46 1.04 -1.26 -2.64 113.70 105.11 2g0k s SER 54 Ca 0.20 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 2g0k s SER 54 Cb -0.02 0.29 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2g0k s SER 54 CO 0.13 -0.54 0.91 0.54 0.98 0.00 0.00 173.24 175.25 2g0k s VAL 55 N -2.38 0.00 -0.13 5.02 0.11 -1.21 -4.96 120.40 116.84 2g0k s VAL 55 Ca -0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2g0k s VAL 55 Cb -0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2g0k s VAL 55 CO -0.03 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -2.02 1.65 0.59 5.04 2.01 -1.26 -2.11 115.64 119.54 2g0k s THR 56 Ca 0.00 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 2g0k s THR 56 Cb -0.01 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 2g0k s THR 56 CO -0.02 0.47 0.80 0.00 -0.69 0.00 0.00 174.62 175.18 2g0k n ALA 57 N 4.45 -0.33 -2.28 7.40 0.00 -0.91 -4.86 120.51 123.98 2g0k n ALA 57 Ca -0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 2g0k n ALA 57 Cb 0.51 -2.00 0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.29 0.20 0.28 0.00 5.68 -0.85 -3.30 116.55 118.27 2g0k n ASP 58 Ca 0.13 -1.17 0.14 0.00 -0.50 0.00 0.00 54.79 53.39 2g0k n ASP 58 Cb 0.47 -0.10 0.83 0.00 -1.14 0.00 0.00 41.12 41.18 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 -0.49 1.41 -0.00 2.12 0.00 -1.94 0.18 119.26 120.54 2g0k h ALA 59 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2g0k h ALA 59 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2g0k h ALA 59 CO 0.05 0.07 -0.03 -1.71 0.00 0.00 0.00 179.25 177.63 2g0k n ASN 60 N -3.75 0.14 -0.70 0.00 5.15 -1.26 -4.87 115.26 109.96 2g0k n ASN 60 Ca -0.02 -0.33 -0.08 0.00 -0.60 0.00 0.00 54.58 53.54 2g0k n ASN 60 Cb 0.15 -0.20 -0.02 0.00 -0.53 0.00 0.00 39.78 39.18 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 1.26 0.64 3.45 8.20 0.00 0.63 -4.83 105.19 114.54 2g0k n GLY 61 Ca 0.15 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.82 3.98 0.30 1.61 1.04 -1.26 -3.07 113.70 113.48 2g0k s SER 62 Ca 0.00 -0.23 0.10 0.00 0.48 0.00 0.00 55.95 56.29 2g0k s SER 62 Cb 0.00 -0.97 -0.06 0.00 0.10 0.00 0.00 66.02 65.09 2g0k s SER 62 CO 0.00 0.31 -0.12 0.00 0.98 0.00 0.00 173.24 174.41 2g0k s ALA 63 N -0.52 2.70 -0.18 5.32 0.00 -1.20 -2.01 121.76 125.87 2g0k s ALA 63 Ca 0.07 -1.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.01 2g0k s ALA 63 Cb -0.12 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.02 2g0k s ALA 63 CO 0.01 0.11 0.38 -1.54 0.00 0.00 0.00 175.76 174.73 2g0k s SER 64 N -3.52 -0.11 0.08 0.00 1.04 -1.26 -2.85 113.70 107.07 2g0k s SER 64 Ca 0.30 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 2g0k s SER 64 Cb 0.00 1.20 0.01 0.00 0.10 0.00 0.00 66.02 67.33 2g0k s SER 64 CO 0.14 -0.23 0.26 -0.89 0.98 0.00 0.00 173.24 173.50 2g0k s THR 65 N 2.57 0.11 -0.18 2.02 2.01 -0.97 -4.95 115.64 116.26 2g0k s THR 65 Ca -0.01 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2g0k s THR 65 Cb -0.12 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 2g0k s THR 65 CO -0.12 -0.50 -0.04 -0.44 -0.69 0.00 0.00 174.62 172.82 2g0k s SER 66 N -2.56 4.56 -0.26 3.53 0.01 -1.26 -1.46 113.70 116.26 2g0k s SER 66 Ca 0.01 -0.24 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 2g0k s SER 66 Cb 0.02 -1.76 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 2g0k s SER 66 CO -0.08 0.10 0.06 -0.22 0.41 0.00 0.00 173.24 173.51 2g0k s LEU 67 N 0.78 3.51 0.54 2.44 1.98 -0.46 -4.80 118.68 122.68 2g0k s LEU 67 Ca -0.02 -0.40 -0.20 0.00 -2.89 0.00 0.00 54.13 50.63 2g0k s LEU 67 Cb -0.15 -1.89 -0.06 0.00 0.66 0.00 0.00 46.19 44.76 2g0k s LEU 67 CO 0.02 -0.09 1.15 0.28 -1.89 0.00 0.00 176.35 175.82 2g0k s THR 68 N 1.56 3.07 -0.22 3.68 -1.32 -1.26 0.05 115.64 121.20 2g0k s THR 68 Ca 0.05 0.68 -0.06 0.00 -1.21 0.00 0.00 61.69 61.14 2g0k s THR 68 Cb -0.16 -3.28 -0.03 0.00 -1.51 0.00 0.00 72.50 67.52 2g0k s THR 68 CO 0.02 -0.13 0.04 -0.69 -2.21 0.00 0.00 174.62 171.65 2g0k s VAL 69 N -1.72 4.29 -0.06 5.08 1.01 -0.41 -4.82 120.40 123.76 2g0k s VAL 69 Ca 0.73 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2g0k s VAL 69 Cb -0.25 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2g0k s VAL 69 CO 0.28 0.40 -0.19 -0.13 0.00 0.00 0.00 175.10 175.46 2g0k s ARG 70 N 1.11 2.60 0.41 2.72 3.00 -1.26 -3.78 118.95 123.76 2g0k s ARG 70 Ca 0.04 -0.79 0.27 0.00 0.00 0.00 0.00 55.73 55.25 2g0k s ARG 70 Cb -0.14 -2.31 0.86 0.00 0.00 0.00 0.00 34.95 33.35 2g0k s ARG 70 CO 0.03 0.48 1.78 0.07 0.00 0.00 0.00 175.30 177.66 2g0k h ARG 71 N 5.78 0.00 -1.94 3.54 0.11 -1.92 -3.40 114.38 116.55 2g0k h ARG 71 Ca -0.39 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.70 2g0k h ARG 71 Cb 1.16 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.05 2g0k h ARG 71 CO 0.50 0.00 0.35 0.45 0.10 0.00 0.00 179.97 181.37 2g0k s SER 72 N -5.47 -0.52 -0.26 0.08 0.15 -1.26 -0.10 113.70 106.32 2g0k s SER 72 Ca 0.05 0.49 -0.34 0.00 0.70 0.00 0.00 55.95 56.86 2g0k s SER 72 Cb 0.08 0.44 0.17 0.00 -1.71 0.00 0.00 66.02 65.00 2g0k s SER 72 CO 0.57 -0.54 1.32 0.72 1.20 0.00 0.00 173.24 176.51 2g0k s PHE 73 N -1.51 -0.07 -0.01 3.44 -0.12 -0.80 -4.92 117.98 113.99 2g0k s PHE 73 Ca -0.05 0.07 -0.34 0.00 -0.05 0.00 0.00 56.93 56.57 2g0k s PHE 73 Cb -0.00 0.50 -0.12 0.00 -0.63 0.00 0.00 43.02 42.77 2g0k s PHE 73 CO 0.04 -0.08 1.82 -0.85 -0.05 0.00 0.00 175.22 176.10 2g0k n GLU 74 N 0.21 2.28 -2.44 1.99 0.00 -1.26 -0.18 120.64 121.24 2g0k n GLU 74 Ca 0.01 0.83 -0.38 0.00 0.00 0.00 0.00 57.16 57.63 2g0k n GLU 74 Cb 0.58 -2.68 -0.03 0.00 0.00 0.00 0.00 31.44 29.31 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2g0k s GLY 75 N 3.33 1.02 -0.70 -1.84 0.00 0.24 -4.04 107.32 105.33 2g0k s GLY 75 Ca 0.89 -2.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.24 2g0k s GLY 75 CO 0.47 2.88 1.15 -1.36 0.00 0.00 0.00 173.10 176.24 2g0k s PHE 76 N 6.19 2.45 0.38 1.90 0.08 0.24 -0.78 117.98 128.43 2g0k s PHE 76 Ca 0.52 -0.21 -0.26 0.00 0.12 0.00 0.00 56.93 57.10 2g0k s PHE 76 Cb -0.01 -4.49 -0.11 0.00 -0.57 0.00 0.00 43.02 37.84 2g0k s PHE 76 CO -0.07 -1.88 1.16 -0.11 -0.10 0.00 0.00 175.22 174.22 2g0k n LEU 77 N 8.68 3.14 -0.31 -0.37 7.94 0.88 0.23 117.00 137.19 2g0k n LEU 77 Ca 0.01 1.13 0.15 0.00 -1.11 0.00 0.00 56.01 56.19 2g0k n LEU 77 Cb 0.48 -1.42 0.34 0.00 0.53 0.00 0.00 43.42 43.34 2g0k n LEU 77 CO 0.68 -0.95 1.05 -0.26 -1.11 0.00 0.00 177.39 176.80 2g0k h PHE 78 N 2.05 0.67 0.00 1.96 -1.00 -1.88 1.83 116.94 120.58 2g0k h PHE 78 Ca -0.45 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.31 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.72 2g0k h PHE 78 CO 0.47 -0.09 0.13 0.22 -1.61 0.00 0.00 178.31 177.43 2g0k h ASP 79 N 0.37 0.00 0.00 2.17 3.58 -1.92 -3.44 116.42 117.18 2g0k h ASP 79 Ca 0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.04 2g0k h ASP 79 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2g0k h ASP 79 CO -0.56 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.41 2g0k n GLY 80 N -1.23 1.51 3.52 -0.78 0.00 0.62 -5.09 105.19 103.75 2g0k n GLY 80 Ca -0.02 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 3.95 -0.89 2.61 2.01 -1.13 -4.87 115.64 115.31 2g0k s THR 81 Ca 0.00 -0.34 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 2g0k s THR 81 Cb 0.00 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2g0k s THR 81 CO 0.00 0.51 1.77 -0.60 -0.69 0.00 0.00 174.62 175.61 2g0k s ARG 82 N 0.21 2.86 0.05 4.92 3.52 -1.26 -0.09 118.95 129.17 2g0k s ARG 82 Ca -0.02 -0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 54.87 2g0k s ARG 82 Cb -0.14 -5.02 -0.18 0.00 -1.56 0.00 0.00 34.95 28.05 2g0k s ARG 82 CO 0.03 -2.94 1.48 2.35 -0.81 0.00 0.00 175.30 175.41 2g0k h TRP 83 N 11.25 -0.80 0.00 5.12 7.01 -1.29 -3.49 115.95 133.75 2g0k h TRP 83 Ca 0.07 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2g0k h TRP 83 Cb 1.03 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.35 2g0k h TRP 83 CO 1.21 -0.47 0.00 0.41 -2.79 0.00 0.00 178.44 176.80 2g0k n GLY 84 N -1.19 2.22 3.68 2.65 0.00 -1.22 -4.97 105.19 106.36 2g0k n GLY 84 Ca -0.13 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.18 2.41 -4.37 2.61 -1.04 -1.26 0.82 114.28 112.27 2g0k n THR 85 Ca 0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.24 2g0k n THR 85 Cb 0.00 -1.46 -0.11 0.00 -1.82 0.00 0.00 70.33 66.94 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 -1.19 2.66 -0.38 12.58 1.01 0.75 -4.71 120.40 131.12 2g0k s VAL 86 Ca 0.60 -1.88 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2g0k s VAL 86 Cb -0.54 -2.29 0.12 0.00 0.00 0.00 0.00 36.38 33.67 2g0k s VAL 86 CO 0.59 -0.11 0.16 -1.81 0.00 0.00 0.00 175.10 173.93 2g0k s ASP 87 N -2.70 3.98 0.59 3.32 1.01 -1.26 -1.90 116.67 119.70 2g0k s ASP 87 Ca 0.22 -2.22 0.29 0.00 0.71 0.00 0.00 52.55 51.55 2g0k s ASP 87 Cb -0.08 -1.08 1.56 0.00 1.01 0.00 0.00 42.92 44.32 2g0k s ASP 87 CO 0.12 -0.34 1.99 0.00 0.21 0.00 0.00 175.17 177.15 2g0k n THR 89 N -3.73 0.00 -0.02 0.00 -2.24 -1.23 -3.16 114.28 103.90 2g0k n THR 89 Ca 0.05 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2g0k n THR 89 Cb 0.51 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.85 0.32 -4.02 4.28 -1.04 0.41 -5.05 114.28 108.32 2g0k n THR 90 Ca 0.19 -0.24 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 2g0k n THR 90 Cb 0.10 -0.53 -0.00 0.00 -1.82 0.00 0.00 70.33 68.08 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 -2.10 0.04 -2.68 2.41 0.00 -0.83 -5.08 120.51 112.27 2g0k n ALA 91 Ca -0.08 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 2g0k n ALA 91 Cb 0.57 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.07 3.59 0.13 0.00 0.00 -1.26 -4.64 121.76 117.50 2g0k s ALA 92 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.38 2g0k s ALA 92 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2g0k s ALA 92 CO 0.01 -0.15 0.13 0.00 0.00 0.00 0.00 175.76 175.76 2g0k s GLN 94 N -2.82 0.51 0.33 0.00 -2.07 -1.07 0.47 119.66 115.02 2g0k s GLN 94 Ca 0.31 -0.19 0.06 0.00 -1.82 0.00 0.00 55.36 53.72 2g0k s GLN 94 Cb -0.11 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 32.02 2g0k s GLN 94 CO 0.24 -0.12 0.47 0.08 -1.32 0.00 0.00 175.29 174.63 2g0k s VAL 95 N -1.08 4.15 -0.21 3.63 1.01 -0.83 -0.55 120.40 126.51 2g0k s VAL 95 Ca -0.12 -0.97 -0.34 0.00 0.00 0.00 0.00 61.98 60.55 2g0k s VAL 95 Cb -0.06 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 33.03 2g0k s VAL 95 CO 0.02 -0.18 1.24 -0.83 0.00 0.00 0.00 175.10 175.35 2g0k s GLY 96 N -4.16 -0.23 0.07 4.51 0.00 0.72 -4.16 107.32 104.06 2g0k s GLY 96 Ca 0.44 1.83 0.03 0.00 0.00 0.00 0.00 44.72 47.02 2g0k s GLY 96 CO 0.31 0.65 -0.09 0.48 0.00 0.00 0.00 173.10 174.46 2g0k s LEU 97 N -1.94 2.33 0.05 0.66 2.34 0.61 0.97 118.68 123.71 2g0k s LEU 97 Ca 0.09 -0.69 -0.02 0.00 0.06 0.00 0.00 54.13 53.56 2g0k s LEU 97 Cb -0.01 -0.21 -0.03 0.00 -0.56 0.00 0.00 46.19 45.38 2g0k s LEU 97 CO -0.04 -0.25 0.01 -0.44 -1.06 0.00 0.00 176.35 174.57 2g0k s SER 98 N -2.04 0.38 0.00 1.48 0.01 14.89 -3.67 113.70 124.76 2g0k s SER 98 Ca -0.02 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2g0k s SER 98 Cb -0.06 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2g0k s SER 98 CO -0.00 -0.58 0.00 -0.90 0.41 0.00 0.00 173.24 172.17 2g0k n ASP 99 N 0.30 0.53 -0.02 2.44 5.75 -0.49 1.10 116.55 126.17 2g0k n ASP 99 Ca -0.16 -0.31 -0.10 0.00 -0.01 0.00 0.00 54.79 54.21 2g0k n ASP 99 Cb 0.60 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.65 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 -0.13 0.13 0.00 2.12 0.00 -1.91 -1.75 119.26 117.73 2g0k h ALA 100 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 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 -0.42 -0.35 0.00 0.00 0.00 0.00 179.25 178.48 2g0k h ALA 101 N 1.10 0.97 0.00 0.00 0.00 -1.95 -3.47 119.26 115.91 2g0k h ALA 101 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2g0k h ALA 101 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2g0k h ALA 101 CO -0.08 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2g0k n GLY 102 N 0.31 0.89 3.73 0.00 0.00 -0.66 -5.13 105.19 104.33 2g0k n GLY 102 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.75 4.09 0.00 1.61 4.22 -1.26 -4.68 114.94 117.17 2g0k s ASN 103 Ca 0.00 -1.56 0.00 0.00 -2.14 0.00 0.00 52.86 49.16 2g0k s ASN 103 Cb 0.00 0.27 0.00 0.00 1.28 0.00 0.00 41.25 42.80 2g0k s ASN 103 CO 0.00 -0.75 0.00 0.61 -2.04 0.00 0.00 177.10 174.92 2g0k n GLY 104 N -1.21 0.99 3.73 0.45 0.00 -1.26 -1.40 105.19 106.49 2g0k n GLY 104 Ca -0.15 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.62 4.45 0.02 1.61 0.04 -1.26 -4.56 135.00 133.67 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 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 2g0k s PRO 105 CO 0.00 -0.18 -0.07 -2.00 0.04 0.00 0.00 177.00 174.80 2g0k s GLU 106 N 0.20 0.48 0.00 4.56 2.12 -1.26 -4.19 118.70 120.60 2g0k s GLU 106 Ca 0.56 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2g0k s GLU 106 Cb -0.33 -0.33 0.00 0.00 0.26 0.00 0.00 34.13 33.73 2g0k s GLU 106 CO 0.34 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 2g0k n GLY 107 N 2.10 0.49 2.75 -1.50 0.00 -1.26 -4.07 105.19 103.70 2g0k n GLY 107 Ca -0.19 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 0.91 0.20 1.61 1.01 -1.26 -4.92 120.40 117.95 2g0k s VAL 108 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2g0k s VAL 108 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2g0k s VAL 108 CO 0.00 -0.63 0.37 0.00 0.00 0.00 0.00 175.10 174.85 2g0k s ALA 109 N 1.61 3.86 0.28 5.51 0.00 -1.26 -1.98 121.76 129.78 2g0k s ALA 109 Ca 0.09 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.23 2g0k s ALA 109 Cb -0.17 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 2g0k s ALA 109 CO -0.23 0.42 -0.09 0.42 0.00 0.00 0.00 175.76 176.28 2g0k s ILE 110 N -1.87 1.85 -0.21 0.00 1.01 1.72 -4.83 121.20 118.86 2g0k s ILE 110 Ca 0.37 -2.18 -0.08 0.00 0.00 0.00 0.00 60.65 58.76 2g0k s ILE 110 Cb -0.11 -2.40 0.09 0.00 0.01 0.00 0.00 42.46 40.05 2g0k s ILE 110 CO 0.29 -0.34 0.47 -0.55 0.00 0.00 0.00 174.94 174.80 2g0k s SER 111 N -3.46 -0.47 -0.32 3.58 0.15 -0.80 -3.54 113.70 108.83 2g0k s SER 111 Ca 0.29 1.09 -0.23 0.00 0.70 0.00 0.00 55.95 57.80 2g0k s SER 111 Cb 0.02 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 2g0k s SER 111 CO 0.12 -0.22 0.76 -0.36 1.20 0.00 0.00 173.24 174.73 2g0k s PHE 112 N 2.37 3.18 0.00 3.44 0.40 -1.26 -2.85 117.98 123.25 2g0k s PHE 112 Ca -0.04 0.68 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 2g0k s PHE 112 Cb -0.11 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.19 2g0k s PHE 112 CO -0.14 -0.60 0.00 0.27 0.70 0.00 0.00 175.22 175.45