#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 2.79 1.14 0.00 0.00 -1.26 -4.72 121.76 119.71 2g0k s ALA 2 Ca 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2g0k s ALA 2 Cb 0.00 -1.56 0.21 0.00 0.00 0.00 0.00 23.12 21.77 2g0k s ALA 2 CO 0.00 -0.17 0.87 -0.35 0.00 0.00 0.00 175.76 176.10 2g0k n PRO 3 N 4.31 -2.20 -3.34 0.00 -0.04 -1.26 -4.87 135.00 127.60 2g0k n PRO 3 Ca -0.18 -1.37 -0.43 0.00 -0.04 0.00 0.00 63.50 61.48 2g0k n PRO 3 Cb 0.51 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.71 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 -2.66 5.11 0.04 0.52 2.01 0.31 -4.63 115.64 116.34 2g0k s THR 4 Ca 0.54 -0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.17 2g0k s THR 4 Cb -0.04 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2g0k s THR 4 CO 0.41 -0.44 -0.22 0.00 -0.69 0.00 0.00 174.62 173.68 2g0k s ALA 5 N 2.06 1.90 -0.34 7.40 0.00 -1.24 0.67 121.76 132.22 2g0k s ALA 5 Ca 0.11 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2g0k s ALA 5 Cb -0.18 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2g0k s ALA 5 CO 0.13 0.43 0.10 0.95 0.00 0.00 0.00 175.76 177.37 2g0k s THR 6 N -0.79 3.52 0.09 0.00 -4.23 2.53 -4.83 115.64 111.92 2g0k s THR 6 Ca 0.09 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2g0k s THR 6 Cb -0.09 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2g0k s THR 6 CO 0.02 -0.24 0.24 -0.69 -0.54 0.00 0.00 174.62 173.41 2g0k s VAL 7 N 1.33 5.36 1.28 2.29 1.01 -1.26 -0.73 120.40 129.67 2g0k s VAL 7 Ca -0.01 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2g0k s VAL 7 Cb -0.20 -3.65 0.31 0.00 0.00 0.00 0.00 36.38 32.84 2g0k s VAL 7 CO 0.01 0.08 1.05 0.28 0.00 0.00 0.00 175.10 176.52 2g0k s THR 8 N -1.57 1.48 -0.23 3.92 -1.32 0.01 -4.91 115.64 113.02 2g0k s THR 8 Ca 0.35 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.54 2g0k s THR 8 Cb -0.13 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 2g0k s THR 8 CO 0.28 0.00 1.46 -2.16 -2.21 0.00 0.00 174.62 171.99 2g0k s PRO 9 N -5.26 3.91 -0.31 7.08 0.04 -1.26 -4.75 135.00 134.44 2g0k s PRO 9 Ca 0.70 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.35 2g0k s PRO 9 Cb -0.11 -3.94 0.46 0.00 0.04 0.00 0.00 34.50 30.94 2g0k s PRO 9 CO 0.57 -1.14 1.26 -1.13 0.04 0.00 0.00 177.00 176.60 2g0k n SER 10 N 7.86 4.78 -4.08 6.66 3.41 -1.26 -4.91 113.62 126.09 2g0k n SER 10 Ca 0.17 -3.77 -0.33 0.00 -0.26 0.00 0.00 58.87 54.68 2g0k n SER 10 Cb 0.46 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 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 -3.41 4.78 0.00 4.04 1.04 -1.22 -1.73 113.70 117.20 2g0k s SER 11 Ca 0.51 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2g0k s SER 11 Cb 0.41 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2g0k s SER 11 CO 0.03 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2g0k n GLY 12 N 4.43 1.35 3.73 7.32 0.00 -0.98 -4.67 105.19 116.37 2g0k n GLY 12 Ca -0.05 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 4.22 0.43 0.99 1.43 -1.26 -4.63 118.68 119.86 2g0k s LEU 13 Ca 0.00 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2g0k s LEU 13 Cb 0.00 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2g0k s LEU 13 CO 0.00 0.13 0.67 -0.44 0.23 0.00 0.00 176.35 176.94 2g0k s SER 14 N 0.45 6.08 0.31 2.29 0.01 -1.26 -4.75 113.70 116.82 2g0k s SER 14 Ca 0.12 0.51 -0.26 0.00 1.31 0.00 0.00 55.95 57.63 2g0k s SER 14 Cb -0.12 -1.88 -0.15 0.00 0.21 0.00 0.00 66.02 64.08 2g0k s SER 14 CO 0.01 -0.55 0.68 -0.90 0.41 0.00 0.00 173.24 172.88 2g0k n ASP 15 N -2.05 -0.34 0.00 2.44 5.75 -1.26 -1.91 116.55 119.18 2g0k n ASP 15 Ca -0.01 1.06 0.00 0.00 -0.01 0.00 0.00 54.79 55.84 2g0k n ASP 15 Cb 0.57 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g0k n GLY 16 N 1.68 3.02 3.81 6.12 0.00 -1.25 -5.03 105.19 113.53 2g0k n GLY 16 Ca 0.13 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 -2.75 3.99 -0.11 2.61 2.01 -0.80 -4.96 115.64 115.62 2g0k s THR 17 Ca 0.00 1.19 0.01 0.00 0.31 0.00 0.00 61.69 63.21 2g0k s THR 17 Cb 0.00 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2g0k s THR 17 CO 0.00 -0.31 -0.14 0.68 -0.69 0.00 0.00 174.62 174.16 2g0k s VAL 18 N -2.11 1.44 -0.12 3.82 -7.23 -1.26 -2.27 120.40 112.67 2g0k s VAL 18 Ca 0.65 -0.59 -0.13 0.00 -1.81 0.00 0.00 61.98 60.10 2g0k s VAL 18 Cb -0.14 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 2g0k s VAL 18 CO 0.20 0.43 0.29 0.68 -0.31 0.00 0.00 175.10 176.40 2g0k s VAL 19 N 1.11 5.28 0.53 1.32 -7.23 0.14 -4.86 120.40 116.68 2g0k s VAL 19 Ca -0.04 0.56 -0.16 0.00 -1.81 0.00 0.00 61.98 60.52 2g0k s VAL 19 Cb -0.14 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 2g0k s VAL 19 CO -0.03 0.47 1.00 -0.75 -0.31 0.00 0.00 175.10 175.47 2g0k s LYS 20 N -0.12 3.86 -0.25 4.82 2.36 -1.26 -0.55 119.74 128.59 2g0k s LYS 20 Ca 0.18 0.99 -0.04 0.00 -2.55 0.00 0.00 55.97 54.55 2g0k s LYS 20 Cb -0.14 -2.12 0.09 0.00 -1.05 0.00 0.00 37.83 34.62 2g0k s LYS 20 CO 0.06 -0.34 0.14 0.54 1.55 0.00 0.00 175.35 177.30 2g0k s VAL 21 N -2.60 -0.12 -0.22 4.02 0.11 -0.70 -0.81 120.40 120.08 2g0k s VAL 21 Ca 0.60 -0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 2g0k s VAL 21 Cb -0.11 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2g0k s VAL 21 CO 0.32 -0.56 -0.00 0.00 -3.33 0.00 0.00 175.10 171.53 2g0k s ALA 22 N 2.15 2.96 -0.11 1.54 0.00 0.09 -2.54 121.76 125.84 2g0k s ALA 22 Ca 0.07 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 2g0k s ALA 22 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2g0k s ALA 22 CO -0.28 -0.36 0.11 0.20 0.00 0.00 0.00 175.76 175.42 2g0k s GLY 23 N 1.38 2.08 -0.05 0.00 0.00 -1.02 0.60 107.32 110.31 2g0k s GLY 23 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2g0k s GLY 23 CO 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 173.10 172.66 2g0k s ALA 24 N -0.94 0.71 0.00 3.20 0.00 3.13 -3.52 121.76 124.34 2g0k s ALA 24 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2g0k s ALA 24 Cb -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2g0k s ALA 24 CO 0.03 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2g0k n GLY 25 N 4.33 1.05 0.00 0.00 0.00 -1.25 -0.53 105.19 108.79 2g0k n GLY 25 Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 4.32 -1.18 -4.73 117.00 111.72 2g0k n LEU 26 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 2g0k n LEU 26 Cb 0.07 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 2g0k n LEU 26 CO 0.00 -0.36 0.56 -1.10 -1.22 0.00 0.00 177.39 175.26 2g0k s GLN 27 N -1.29 4.33 0.09 3.23 -0.21 -1.26 -4.80 119.66 119.75 2g0k s GLN 27 Ca 0.00 0.98 -0.31 0.00 0.02 0.00 0.00 55.36 56.06 2g0k s GLN 27 Cb 0.00 -3.54 -0.07 0.00 1.00 0.00 0.00 33.01 30.40 2g0k s GLN 27 CO 0.00 -0.23 1.24 0.00 -2.12 0.00 0.00 175.29 174.18 2g0k s ALA 28 N 1.81 3.44 0.00 6.09 0.00 -1.26 -2.26 121.76 129.59 2g0k s ALA 28 Ca 0.38 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2g0k s ALA 28 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2g0k s ALA 28 CO 0.14 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2g0k n GLY 29 N 3.13 0.46 3.75 0.00 0.00 -0.26 -4.98 105.19 107.30 2g0k n GLY 29 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.05 5.26 0.45 2.61 2.01 -0.96 -4.84 115.64 118.12 2g0k s THR 30 Ca 0.00 0.62 -0.20 0.00 0.31 0.00 0.00 61.69 62.42 2g0k s THR 30 Cb 0.00 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 2g0k s THR 30 CO 0.00 0.42 0.96 0.00 -0.69 0.00 0.00 174.62 175.31 2g0k s ALA 31 N 0.17 3.03 0.03 7.40 0.00 -1.26 -2.39 121.76 128.74 2g0k s ALA 31 Ca 0.19 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2g0k s ALA 31 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2g0k s ALA 31 CO 0.06 0.05 -0.05 0.71 0.00 0.00 0.00 175.76 176.53 2g0k s TYR 32 N -2.23 0.45 -0.25 0.00 2.02 -0.85 -3.59 117.35 112.90 2g0k s TYR 32 Ca 0.62 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 2g0k s TYR 32 Cb -0.10 -0.28 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 2g0k s TYR 32 CO 0.16 -0.12 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.47 2g0k s ASP 33 N -1.34 4.36 -0.00 2.29 1.01 2.64 -3.08 116.67 122.54 2g0k s ASP 33 Ca -0.11 -0.75 -0.01 0.00 0.71 0.00 0.00 52.55 52.39 2g0k s ASP 33 Cb -0.09 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 2g0k s ASP 33 CO -0.00 -0.11 0.13 -0.69 0.21 0.00 0.00 175.17 174.71 2g0k s VAL 34 N 1.38 5.09 0.13 -1.27 1.01 -0.74 0.97 120.40 126.96 2g0k s VAL 34 Ca 0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 2g0k s VAL 34 Cb -0.16 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.93 2g0k s VAL 34 CO -0.04 0.33 1.00 -0.83 0.00 0.00 0.00 175.10 175.56 2g0k s GLY 35 N -1.87 -0.26 -0.22 4.51 0.00 7.80 -0.82 107.32 116.46 2g0k s GLY 35 Ca 0.25 0.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 2g0k s GLY 35 CO 0.17 0.03 -0.03 1.62 0.00 0.00 0.00 173.10 174.88 2g0k s GLN 36 N -3.18 3.42 0.30 2.90 0.74 -1.25 0.17 119.66 122.77 2g0k s GLN 36 Ca 0.12 -0.60 0.08 0.00 0.05 0.00 0.00 55.36 55.01 2g0k s GLN 36 Cb -0.01 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 2g0k s GLN 36 CO 0.01 -0.17 0.13 0.00 -0.55 0.00 0.00 175.29 174.71 2g0k s ALA 38 N -2.33 -0.99 0.08 0.00 0.00 0.81 -1.88 121.76 117.45 2g0k s ALA 38 Ca 0.35 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.41 2g0k s ALA 38 Cb -0.05 -1.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.92 2g0k s ALA 38 CO 0.23 -0.48 1.63 -0.46 0.00 0.00 0.00 175.76 176.67 2g0k s TRP 39 N 1.96 2.54 -0.10 0.00 -0.00 -1.23 -1.07 118.94 121.04 2g0k s TRP 39 Ca -0.05 0.39 0.04 0.00 -0.00 0.00 0.00 56.10 56.47 2g0k s TRP 39 Cb -0.10 -3.95 -0.09 0.00 -0.00 0.00 0.00 33.47 29.33 2g0k s TRP 39 CO -0.12 -3.74 -0.04 1.33 -0.00 0.00 0.00 176.95 174.38 2g0k n VAL 40 N 4.60 0.60 -4.19 5.86 0.24 -1.01 -4.72 118.33 119.71 2g0k n VAL 40 Ca 0.15 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 2g0k n VAL 40 Cb 0.40 -0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 31.88 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 -2.60 -0.78 -4.61 -1.34 2.03 -0.76 -5.04 116.55 103.45 2g0k n ASP 41 Ca -0.17 -2.86 -0.43 0.00 0.52 0.00 0.00 54.79 51.85 2g0k n ASP 41 Cb 0.73 1.67 -0.02 0.00 -0.72 0.00 0.00 41.12 42.79 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2g0k s THR 42 N -3.08 4.11 -0.00 5.18 2.01 -1.26 -2.66 115.64 119.93 2g0k s THR 42 Ca 0.33 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.50 2g0k s THR 42 Cb 0.01 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2g0k s THR 42 CO 0.23 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 2g0k n GLY 43 N 4.72 0.48 2.89 4.40 0.00 -1.26 -5.00 105.19 111.42 2g0k n GLY 43 Ca 0.14 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.97 1.14 0.30 1.61 -7.23 -1.09 -5.13 120.40 108.04 2g0k s VAL 44 Ca 0.00 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.57 2g0k s VAL 44 Cb 0.00 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2g0k s VAL 44 CO 0.00 0.11 0.19 -0.76 -0.31 0.00 0.00 175.10 174.33 2g0k s LEU 45 N 1.61 3.54 -0.08 1.32 1.43 -1.26 -1.83 118.68 123.41 2g0k s LEU 45 Ca 0.00 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2g0k s LEU 45 Cb -0.15 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2g0k s LEU 45 CO -0.08 -0.20 -0.10 0.00 0.23 0.00 0.00 176.35 176.20 2g0k s ALA 46 N -2.28 1.23 0.16 4.21 0.00 -0.23 -3.48 121.76 121.37 2g0k s ALA 46 Ca 0.37 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.96 2g0k s ALA 46 Cb -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2g0k s ALA 46 CO 0.24 -0.03 0.07 0.00 0.00 0.00 0.00 175.76 176.04 2g0k s ASN 48 N -2.95 4.33 0.00 0.00 2.47 -1.06 0.12 114.94 117.85 2g0k s ASN 48 Ca 0.29 -1.00 0.20 0.00 0.42 0.00 0.00 52.86 52.77 2g0k s ASN 48 Cb -0.10 -1.64 1.17 0.00 -1.45 0.00 0.00 41.25 39.24 2g0k s ASN 48 CO 0.21 -0.15 1.57 -0.81 -3.72 0.00 0.00 177.10 174.20 2g0k n PRO 49 N 4.62 0.61 0.06 0.43 -0.04 -1.26 -2.04 135.00 137.38 2g0k n PRO 49 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2g0k n PRO 49 Cb 0.46 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.50 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.01 2.96 -1.64 0.55 0.00 -1.26 -3.97 120.51 116.14 2g0k n ALA 50 Ca 0.15 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.36 2g0k n ALA 50 Cb 0.07 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.55 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 51 N -2.21 1.56 -4.48 0.00 5.68 -0.87 -5.00 116.55 111.24 2g0k n ASP 51 Ca 0.02 -3.09 -0.43 0.00 -0.50 0.00 0.00 54.79 50.79 2g0k n ASP 51 Cb 0.47 -0.42 -0.06 0.00 -1.14 0.00 0.00 41.12 39.97 2g0k n ASP 51 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2g0k s PHE 52 N -2.16 2.97 0.60 2.11 2.19 -1.18 -3.97 117.98 118.52 2g0k s PHE 52 Ca 0.31 -0.29 0.09 0.00 0.33 0.00 0.00 56.93 57.37 2g0k s PHE 52 Cb 0.30 -3.69 0.10 0.00 -1.31 0.00 0.00 43.02 38.42 2g0k s PHE 52 CO -0.05 -1.11 0.83 0.45 1.83 0.00 0.00 175.22 177.17 2g0k n SER 53 N 6.61 2.12 -3.85 6.13 2.88 -0.00 -4.97 113.62 122.54 2g0k n SER 53 Ca -0.03 -2.55 -0.10 0.00 -1.33 0.00 0.00 58.87 54.86 2g0k n SER 53 Cb 0.46 -0.44 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 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 -4.70 0.08 0.02 -3.46 1.04 -1.26 -2.31 113.70 103.11 2g0k s SER 54 Ca 0.62 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 56.27 2g0k s SER 54 Cb -0.05 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2g0k s SER 54 CO 0.40 -0.64 0.87 0.54 0.98 0.00 0.00 173.24 175.39 2g0k s VAL 55 N -3.20 0.00 -0.00 5.02 0.11 -1.18 -4.96 120.40 116.20 2g0k s VAL 55 Ca -0.00 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 2g0k s VAL 55 Cb 0.02 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2g0k s VAL 55 CO -0.07 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.64 2g0k s THR 56 N -3.17 1.30 0.11 5.04 2.01 -1.26 -2.01 115.64 117.65 2g0k s THR 56 Ca 0.05 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 2g0k s THR 56 Cb -0.01 -1.10 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 2g0k s THR 56 CO -0.09 0.31 0.98 0.00 -0.69 0.00 0.00 174.62 175.14 2g0k s ALA 57 N -0.47 3.26 1.01 7.40 0.00 -1.00 -4.60 121.76 127.35 2g0k s ALA 57 Ca 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2g0k s ALA 57 Cb -0.07 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2g0k s ALA 57 CO -0.00 -0.06 0.24 -0.40 0.00 0.00 0.00 175.76 175.54 2g0k n ASP 58 N 2.80 -0.15 0.27 0.00 5.68 -0.90 -1.10 116.55 123.15 2g0k n ASP 58 Ca 0.03 -1.03 0.12 0.00 -0.50 0.00 0.00 54.79 53.41 2g0k n ASP 58 Cb 0.49 -0.19 0.77 0.00 -1.14 0.00 0.00 41.12 41.05 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 -1.99 1.50 0.00 2.12 0.00 -1.93 0.15 119.26 119.11 2g0k h ALA 59 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 59 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2g0k h ALA 59 CO 0.06 0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.68 2g0k n ASN 60 N -3.89 0.00 -1.37 0.00 5.15 -1.26 -4.85 115.26 109.04 2g0k n ASN 60 Ca -0.02 -0.34 -0.11 0.00 -0.60 0.00 0.00 54.58 53.51 2g0k n ASN 60 Cb 0.16 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.93 -0.05 3.18 8.20 0.00 0.52 -4.82 105.19 113.15 2g0k n GLY 61 Ca 0.15 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.59 2.60 -0.04 1.61 1.04 -1.26 -3.13 113.70 111.94 2g0k s SER 62 Ca 0.04 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2g0k s SER 62 Cb -0.02 -0.86 0.03 0.00 0.10 0.00 0.00 66.02 65.27 2g0k s SER 62 CO 0.05 0.17 0.04 0.00 0.98 0.00 0.00 173.24 174.48 2g0k s ALA 63 N 0.10 0.24 0.02 5.32 0.00 -1.23 -2.12 121.76 124.09 2g0k s ALA 63 Ca -0.08 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.15 2g0k s ALA 63 Cb -0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2g0k s ALA 63 CO 0.04 -0.31 -0.22 -1.12 0.00 0.00 0.00 175.76 174.16 2g0k s SER 64 N 1.64 3.46 0.21 0.00 0.01 -1.26 -2.42 113.70 115.34 2g0k s SER 64 Ca -0.02 -0.46 -0.15 0.00 1.31 0.00 0.00 55.95 56.64 2g0k s SER 64 Cb -0.13 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.64 2g0k s SER 64 CO -0.03 0.28 0.48 0.28 0.41 0.00 0.00 173.24 174.66 2g0k s THR 65 N -0.79 0.03 -0.21 1.44 -1.32 -1.05 -4.93 115.64 108.80 2g0k s THR 65 Ca 0.12 -1.05 -0.07 0.00 -1.21 0.00 0.00 61.69 59.49 2g0k s THR 65 Cb -0.10 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 2g0k s THR 65 CO 0.02 -0.12 0.05 -0.44 -2.21 0.00 0.00 174.62 171.92 2g0k s SER 66 N -2.93 5.24 -0.24 8.08 0.01 -1.26 -1.73 113.70 120.88 2g0k s SER 66 Ca 0.14 -0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 2g0k s SER 66 Cb -0.00 -1.92 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 2g0k s SER 66 CO 0.01 0.06 -0.03 -0.22 0.41 0.00 0.00 173.24 173.47 2g0k s LEU 67 N 1.04 3.08 0.05 2.44 1.98 0.29 -4.82 118.68 122.73 2g0k s LEU 67 Ca 0.04 -0.50 -0.29 0.00 -2.89 0.00 0.00 54.13 50.48 2g0k s LEU 67 Cb -0.14 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.91 2g0k s LEU 67 CO 0.03 -0.06 0.93 0.28 -1.89 0.00 0.00 176.35 175.64 2g0k s THR 68 N 1.46 4.72 -0.16 3.68 -1.32 -1.26 0.27 115.64 123.03 2g0k s THR 68 Ca 0.05 1.98 -0.04 0.00 -1.21 0.00 0.00 61.69 62.47 2g0k s THR 68 Cb -0.15 -4.28 -0.03 0.00 -1.51 0.00 0.00 72.50 66.53 2g0k s THR 68 CO -0.03 0.25 -0.01 0.54 -2.21 0.00 0.00 174.62 173.16 2g0k s VAL 69 N 0.48 4.11 0.06 5.08 0.11 -0.96 -4.80 120.40 124.47 2g0k s VAL 69 Ca 0.48 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 2g0k s VAL 69 Cb -0.22 -2.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.79 2g0k s VAL 69 CO 0.28 0.49 -0.17 -0.13 -3.33 0.00 0.00 175.10 172.24 2g0k s ARG 70 N 0.29 2.04 0.00 1.54 3.00 -1.26 -3.93 118.95 120.63 2g0k s ARG 70 Ca -0.02 -1.01 0.17 0.00 0.00 0.00 0.00 55.73 54.87 2g0k s ARG 70 Cb -0.14 -2.19 0.88 0.00 0.00 0.00 0.00 34.95 33.50 2g0k s ARG 70 CO 0.02 0.53 1.47 2.89 0.00 0.00 0.00 175.30 180.21 2g0k n ARG 71 N 1.36 0.30 -3.64 3.54 -4.01 -1.26 -4.48 116.66 108.48 2g0k n ARG 71 Ca -0.16 0.10 -0.02 0.00 -1.04 0.00 0.00 57.85 56.73 2g0k n ARG 71 Cb 0.52 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.41 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2g0k s SER 72 N -2.44 -0.04 -0.18 2.89 1.04 -1.25 0.02 113.70 113.74 2g0k s SER 72 Ca 0.18 0.03 -0.35 0.00 0.48 0.00 0.00 55.95 56.29 2g0k s SER 72 Cb 0.11 0.03 0.14 0.00 0.10 0.00 0.00 66.02 66.41 2g0k s SER 72 CO 0.24 -0.04 1.29 0.72 0.98 0.00 0.00 173.24 176.42 2g0k s PHE 73 N -1.37 -0.07 0.09 5.02 -0.12 -0.58 -4.92 117.98 116.03 2g0k s PHE 73 Ca 0.10 0.03 -0.33 0.00 -0.05 0.00 0.00 56.93 56.67 2g0k s PHE 73 Cb -0.01 0.51 -0.13 0.00 -0.63 0.00 0.00 43.02 42.77 2g0k s PHE 73 CO -0.06 -0.15 1.71 -0.85 -0.05 0.00 0.00 175.22 175.82 2g0k n GLU 74 N -0.16 2.29 -2.68 1.99 0.28 -1.26 -0.16 120.64 120.94 2g0k n GLU 74 Ca -0.00 0.83 -0.42 0.00 -0.16 0.00 0.00 57.16 57.41 2g0k n GLU 74 Cb 0.59 -2.64 -0.02 0.00 1.43 0.00 0.00 31.44 30.79 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 2.10 1.53 -0.68 -1.84 0.00 0.70 -3.87 107.32 105.27 2g0k s GLY 75 Ca 0.83 -2.51 -0.25 0.00 0.00 0.00 0.00 44.72 42.79 2g0k s GLY 75 CO 0.41 2.48 1.12 -0.12 0.00 0.00 0.00 173.10 176.99 2g0k s PHE 76 N 4.12 2.50 0.18 1.90 2.19 0.32 -0.71 117.98 128.49 2g0k s PHE 76 Ca 0.43 -0.23 -0.31 0.00 0.33 0.00 0.00 56.93 57.15 2g0k s PHE 76 Cb -0.01 -4.44 -0.10 0.00 -1.31 0.00 0.00 43.02 37.16 2g0k s PHE 76 CO -0.08 -1.81 1.59 -1.17 1.83 0.00 0.00 175.22 175.58 2g0k s LEU 77 N 4.85 4.37 0.41 6.12 2.96 0.95 0.47 118.68 138.81 2g0k s LEU 77 Ca 0.30 2.68 0.22 0.00 -0.22 0.00 0.00 54.13 57.10 2g0k s LEU 77 Cb -0.12 -3.60 1.19 0.00 0.50 0.00 0.00 46.19 44.16 2g0k s LEU 77 CO 0.14 -0.85 1.74 2.19 -1.32 0.00 0.00 176.35 178.25 2g0k h PHE 78 N 6.60 0.60 0.00 5.38 -5.15 -1.86 1.61 116.94 124.12 2g0k h PHE 78 Ca -0.43 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 2g0k h PHE 78 Cb 1.21 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.21 2g0k h PHE 78 CO 0.64 -0.00 0.11 0.22 -2.00 0.00 0.00 178.31 177.28 2g0k h ASP 79 N 0.31 0.00 0.00 -0.68 3.58 -1.93 -3.44 116.42 114.26 2g0k h ASP 79 Ca 0.64 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.09 2g0k h ASP 79 Cb 1.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.81 2g0k h ASP 79 CO -0.31 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.66 2g0k n GLY 80 N -1.24 1.53 3.53 -0.78 0.00 0.55 -5.10 105.19 103.68 2g0k n GLY 80 Ca -0.02 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 3.21 -0.82 2.61 2.01 -1.06 -4.93 115.64 114.67 2g0k s THR 81 Ca 0.00 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.79 2g0k s THR 81 Cb 0.00 -2.38 0.10 0.00 0.01 0.00 0.00 72.50 70.23 2g0k s THR 81 CO 0.00 0.35 1.06 -0.13 -0.69 0.00 0.00 174.62 175.21 2g0k s ARG 82 N -1.47 3.39 0.04 4.92 0.52 -1.26 -0.04 118.95 125.04 2g0k s ARG 82 Ca 0.16 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2g0k s ARG 82 Cb -0.11 -4.64 -0.17 0.00 0.52 0.00 0.00 34.95 30.54 2g0k s ARG 82 CO 0.07 -1.80 1.36 2.35 0.02 0.00 0.00 175.30 177.31 2g0k h TRP 83 N 9.16 -0.82 0.00 -0.53 7.01 -1.26 -3.49 115.95 126.03 2g0k h TRP 83 Ca -0.03 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.95 2g0k h TRP 83 Cb 1.04 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 2g0k h TRP 83 CO 1.08 -0.47 0.00 0.41 -2.79 0.00 0.00 178.44 176.67 2g0k n GLY 84 N -0.99 3.61 3.68 2.65 0.00 -1.22 -4.94 105.19 107.99 2g0k n GLY 84 Ca -0.13 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.76 0.16 -4.13 2.61 -1.04 -1.26 -0.22 114.28 108.64 2g0k n THR 85 Ca 0.00 -0.03 -0.26 0.00 -2.04 0.00 0.00 64.05 61.72 2g0k n THR 85 Cb 0.00 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 2g0k n THR 85 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2g0k s VAL 86 N 1.76 4.17 -0.30 12.58 -7.23 0.78 -4.83 120.40 127.34 2g0k s VAL 86 Ca 0.82 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2g0k s VAL 86 Cb -0.65 -3.12 0.06 0.00 0.56 0.00 0.00 36.38 33.23 2g0k s VAL 86 CO 0.40 -0.12 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.25 2g0k s ASP 87 N -3.06 4.77 0.58 4.85 1.01 -1.26 -1.52 116.67 122.04 2g0k s ASP 87 Ca 0.30 -1.42 0.28 0.00 0.71 0.00 0.00 52.55 52.42 2g0k s ASP 87 Cb -0.10 -1.66 1.53 0.00 1.01 0.00 0.00 42.92 43.70 2g0k s ASP 87 CO 0.21 -0.26 1.98 0.00 0.21 0.00 0.00 175.17 177.31 2g0k n THR 89 N -3.85 0.00 -0.01 0.00 -2.24 -1.25 -3.42 114.28 103.50 2g0k n THR 89 Ca 0.06 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2g0k n THR 89 Cb 0.54 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.83 0.18 -4.41 4.28 -1.04 0.45 -5.07 114.28 107.85 2g0k n THR 90 Ca 0.21 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.87 2g0k n THR 90 Cb 0.18 -0.56 -0.06 0.00 -1.82 0.00 0.00 70.33 68.07 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 -2.00 0.52 -2.65 2.41 0.00 0.29 -5.02 120.51 114.05 2g0k n ALA 91 Ca -0.05 -1.79 -0.38 0.00 0.00 0.00 0.00 53.44 51.23 2g0k n ALA 91 Cb 0.48 1.24 -0.09 0.00 0.00 0.00 0.00 19.45 21.09 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 -2.99 3.58 0.13 0.00 0.00 -1.26 -4.54 121.76 116.66 2g0k s ALA 92 Ca 0.20 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2g0k s ALA 92 Cb 0.01 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2g0k s ALA 92 CO 0.14 -0.32 0.14 0.00 0.00 0.00 0.00 175.76 175.72 2g0k s GLN 94 N -2.83 0.83 0.35 0.00 -2.07 -0.79 0.39 119.66 115.54 2g0k s GLN 94 Ca 0.31 0.39 0.03 0.00 -1.82 0.00 0.00 55.36 54.27 2g0k s GLN 94 Cb -0.11 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 2g0k s GLN 94 CO 0.24 -0.20 0.53 0.08 -1.32 0.00 0.00 175.29 174.61 2g0k s VAL 95 N -0.63 4.56 -0.13 3.63 1.01 -0.93 -0.05 120.40 127.88 2g0k s VAL 95 Ca -0.07 -0.71 -0.33 0.00 0.00 0.00 0.00 61.98 60.87 2g0k s VAL 95 Cb -0.03 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.84 2g0k s VAL 95 CO 0.05 -0.35 1.12 -0.83 0.00 0.00 0.00 175.10 175.09 2g0k s GLY 96 N -4.11 -0.34 0.00 4.51 0.00 0.46 -4.13 107.32 103.72 2g0k s GLY 96 Ca 0.42 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.54 2g0k s GLY 96 CO 0.34 0.46 -0.02 0.48 0.00 0.00 0.00 173.10 174.36 2g0k s LEU 97 N -2.30 2.05 0.10 0.66 2.34 1.81 1.08 118.68 124.42 2g0k s LEU 97 Ca 0.08 -0.11 0.03 0.00 0.06 0.00 0.00 54.13 54.19 2g0k s LEU 97 Cb -0.01 -0.06 -0.04 0.00 -0.56 0.00 0.00 46.19 45.52 2g0k s LEU 97 CO -0.06 -0.03 -0.09 -0.44 -1.06 0.00 0.00 176.35 174.67 2g0k s SER 98 N -0.30 1.36 0.00 1.48 0.01 6.29 -3.13 113.70 119.42 2g0k s SER 98 Ca -0.02 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2g0k s SER 98 Cb -0.02 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2g0k s SER 98 CO -0.00 -0.35 0.00 -0.90 0.41 0.00 0.00 173.24 172.40 2g0k n ASP 99 N 0.22 0.49 -0.01 2.44 5.75 -0.52 0.61 116.55 125.53 2g0k n ASP 99 Ca -0.14 -0.42 -0.10 0.00 -0.01 0.00 0.00 54.79 54.13 2g0k n ASP 99 Cb 0.59 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.04 0.10 0.00 2.12 0.00 -1.91 -1.53 119.26 118.00 2g0k h ALA 100 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2g0k h ALA 100 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2g0k h ALA 100 CO 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 179.25 178.51 2g0k h ALA 101 N 1.10 1.01 -0.01 0.00 0.00 -1.95 -3.47 119.26 115.95 2g0k h ALA 101 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2g0k h ALA 101 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2g0k h ALA 101 CO -0.10 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2g0k n GLY 102 N 0.19 0.94 3.77 0.00 0.00 -0.58 -5.13 105.19 104.39 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 -1.90 4.21 0.00 1.61 4.22 -1.26 -4.68 114.94 117.14 2g0k s ASN 103 Ca 0.00 -1.50 0.00 0.00 -2.14 0.00 0.00 52.86 49.22 2g0k s ASN 103 Cb 0.00 0.31 0.00 0.00 1.28 0.00 0.00 41.25 42.84 2g0k s ASN 103 CO 0.00 -0.82 0.00 0.61 -2.04 0.00 0.00 177.10 174.85 2g0k n GLY 104 N -1.31 0.94 3.73 0.45 0.00 -1.26 -1.44 105.19 106.30 2g0k n GLY 104 Ca -0.13 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.27 4.46 0.03 1.61 0.04 -1.26 -4.64 135.00 133.96 2g0k s PRO 105 Ca 0.00 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.94 2g0k s PRO 105 Cb 0.00 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2g0k s PRO 105 CO 0.00 -0.15 -0.06 -2.00 0.04 0.00 0.00 177.00 174.83 2g0k s GLU 106 N 0.06 0.42 0.00 4.56 2.12 -1.26 -4.13 118.70 120.46 2g0k s GLU 106 Ca 0.55 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2g0k s GLU 106 Cb -0.33 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 33.87 2g0k s GLU 106 CO 0.35 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 2g0k n GLY 107 N 1.88 0.45 2.77 -1.50 0.00 -1.26 -4.35 105.19 103.17 2g0k n GLY 107 Ca -0.21 -0.63 -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 0.99 -0.03 1.61 1.01 -1.26 -4.97 120.40 117.75 2g0k s VAL 108 Ca 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 2g0k s VAL 108 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2g0k s VAL 108 CO 0.00 -0.60 0.23 0.00 0.00 0.00 0.00 175.10 174.72 2g0k s ALA 109 N 1.57 3.87 0.40 5.51 0.00 -1.26 -2.18 121.76 129.67 2g0k s ALA 109 Ca 0.08 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.51 2g0k s ALA 109 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2g0k s ALA 109 CO -0.21 0.65 0.25 0.42 0.00 0.00 0.00 175.76 176.87 2g0k s ILE 110 N -1.22 2.56 -0.29 0.00 1.01 1.25 -4.88 121.20 119.63 2g0k s ILE 110 Ca 0.24 -1.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 2g0k s ILE 110 Cb -0.13 -3.00 0.10 0.00 0.01 0.00 0.00 42.46 39.44 2g0k s ILE 110 CO 0.13 -0.03 0.72 -0.55 0.00 0.00 0.00 174.94 175.22 2g0k s SER 111 N -3.98 -0.93 -0.32 3.58 0.15 -0.71 -4.11 113.70 107.39 2g0k s SER 111 Ca 0.43 1.43 -0.13 0.00 0.70 0.00 0.00 55.95 58.38 2g0k s SER 111 Cb 0.00 1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 2g0k s SER 111 CO 0.25 -0.22 0.26 -0.36 1.20 0.00 0.00 173.24 174.37 2g0k s PHE 112 N 1.89 3.22 0.00 3.44 0.40 -1.26 -2.31 117.98 123.36 2g0k s PHE 112 Ca -0.09 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2g0k s PHE 112 Cb -0.06 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.97 2g0k s PHE 112 CO -0.19 -0.32 0.00 0.27 0.70 0.00 0.00 175.22 175.68