#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 -0.61 1.16 0.00 0.00 -1.26 -4.72 121.76 116.33 2g0k s ALA 2 Ca 0.00 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 2g0k s ALA 2 Cb 0.00 -1.05 0.25 0.00 0.00 0.00 0.00 23.12 22.32 2g0k s ALA 2 CO 0.00 -0.66 1.01 -0.35 0.00 0.00 0.00 175.76 175.76 2g0k n PRO 3 N 5.35 -2.43 -3.38 0.00 -0.04 -1.26 -4.15 135.00 129.09 2g0k n PRO 3 Ca -0.06 -1.60 -0.43 0.00 -0.04 0.00 0.00 63.50 61.36 2g0k n PRO 3 Cb 0.50 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.95 5.18 0.13 0.52 2.01 -0.42 -0.98 115.64 119.13 2g0k s THR 4 Ca 0.63 -0.61 0.10 0.00 0.31 0.00 0.00 61.69 62.12 2g0k s THR 4 Cb -0.05 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2g0k s THR 4 CO 0.47 -0.42 -0.23 0.00 -0.69 0.00 0.00 174.62 173.75 2g0k s ALA 5 N 1.88 2.13 -0.23 7.40 0.00 -1.25 0.52 121.76 132.22 2g0k s ALA 5 Ca 0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2g0k s ALA 5 Cb -0.19 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2g0k s ALA 5 CO 0.11 0.42 -0.10 0.95 0.00 0.00 0.00 175.76 177.15 2g0k s THR 6 N -1.28 2.66 0.07 0.00 -4.23 1.32 -4.87 115.64 109.30 2g0k s THR 6 Ca 0.12 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2g0k s THR 6 Cb -0.09 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 2g0k s THR 6 CO 0.06 0.28 0.04 0.54 -0.54 0.00 0.00 174.62 175.00 2g0k s VAL 7 N 1.31 4.32 1.34 2.29 0.11 -1.25 -0.31 120.40 128.22 2g0k s VAL 7 Ca 0.01 -0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 58.05 2g0k s VAL 7 Cb -0.16 -3.05 0.34 0.00 -1.53 0.00 0.00 36.38 31.98 2g0k s VAL 7 CO -0.06 0.18 1.02 0.28 -3.33 0.00 0.00 175.10 173.18 2g0k s THR 8 N -1.31 1.33 -0.25 5.04 -1.32 0.16 -4.91 115.64 114.38 2g0k s THR 8 Ca 0.26 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 2g0k s THR 8 Cb -0.12 -2.28 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 2g0k s THR 8 CO 0.19 0.00 1.48 -2.16 -2.21 0.00 0.00 174.62 171.91 2g0k s PRO 9 N -5.32 3.86 -0.38 7.08 0.04 -1.26 -4.79 135.00 134.23 2g0k s PRO 9 Ca 0.70 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.29 2g0k s PRO 9 Cb -0.10 -3.96 0.48 0.00 0.04 0.00 0.00 34.50 30.96 2g0k s PRO 9 CO 0.56 -1.20 1.50 -1.13 0.04 0.00 0.00 177.00 176.77 2g0k n SER 10 N 8.04 4.54 -4.06 6.66 3.41 -1.26 -4.88 113.62 126.07 2g0k n SER 10 Ca 0.17 -3.78 -0.32 0.00 -0.26 0.00 0.00 58.87 54.68 2g0k n SER 10 Cb 0.46 -0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 2g0k n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2g0k s SER 11 N -2.75 4.57 0.00 4.04 0.01 -1.24 -2.85 113.70 115.47 2g0k s SER 11 Ca 0.52 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2g0k s SER 11 Cb 0.43 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2g0k s SER 11 CO 0.01 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2g0k n GLY 12 N 4.38 1.43 3.72 3.44 0.00 -1.24 -4.86 105.19 112.06 2g0k n GLY 12 Ca -0.08 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.03 4.08 0.31 0.99 1.43 -1.26 -4.88 118.68 119.32 2g0k s LEU 13 Ca 0.00 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2g0k s LEU 13 Cb 0.00 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2g0k s LEU 13 CO 0.00 0.21 0.45 -0.55 0.23 0.00 0.00 176.35 176.69 2g0k s SER 14 N 0.15 6.06 0.26 2.29 0.15 -1.26 -4.83 113.70 116.53 2g0k s SER 14 Ca 0.07 -0.10 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 2g0k s SER 14 Cb -0.12 -1.41 -0.15 0.00 -1.71 0.00 0.00 66.02 62.64 2g0k s SER 14 CO -0.00 -0.35 0.86 -0.90 1.20 0.00 0.00 173.24 174.05 2g0k n ASP 15 N -1.60 0.51 0.00 5.45 5.75 -1.26 -1.70 116.55 123.70 2g0k n ASP 15 Ca -0.02 1.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.92 2g0k n ASP 15 Cb 0.58 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 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 1.46 3.13 3.78 6.12 0.00 -1.26 -5.06 105.19 113.35 2g0k n GLY 16 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.80 3.43 -0.16 2.61 2.01 -0.69 -5.00 115.64 115.05 2g0k s THR 17 Ca 0.00 0.91 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2g0k s THR 17 Cb 0.00 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.16 2g0k s THR 17 CO 0.00 -0.17 -0.09 0.54 -0.69 0.00 0.00 174.62 174.21 2g0k s VAL 18 N -1.83 1.36 0.64 3.82 0.11 -1.26 -3.03 120.40 120.21 2g0k s VAL 18 Ca 0.69 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.99 2g0k s VAL 18 Cb -0.21 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.25 2g0k s VAL 18 CO 0.25 0.27 0.97 0.68 -3.33 0.00 0.00 175.10 173.93 2g0k s VAL 19 N 1.55 3.45 -0.07 2.04 -7.23 0.58 -4.94 120.40 115.78 2g0k s VAL 19 Ca 0.02 0.11 0.05 0.00 -1.81 0.00 0.00 61.98 60.35 2g0k s VAL 19 Cb -0.14 -3.41 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 2g0k s VAL 19 CO -0.09 -0.46 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.27 2g0k s LYS 20 N -5.13 2.65 -0.15 4.82 2.36 -1.26 -2.30 119.74 120.74 2g0k s LYS 20 Ca 0.56 -0.85 0.00 0.00 -2.55 0.00 0.00 55.97 53.13 2g0k s LYS 20 Cb -0.11 -2.24 0.02 0.00 -1.05 0.00 0.00 37.83 34.45 2g0k s LYS 20 CO 0.47 0.39 -0.15 0.54 1.55 0.00 0.00 175.35 178.15 2g0k s VAL 21 N -0.17 1.59 -0.16 4.02 0.11 -1.07 0.37 120.40 125.10 2g0k s VAL 21 Ca -0.03 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2g0k s VAL 21 Cb -0.14 -1.49 0.03 0.00 -1.53 0.00 0.00 36.38 33.26 2g0k s VAL 21 CO 0.04 0.46 -0.10 0.00 -3.33 0.00 0.00 175.10 172.17 2g0k s ALA 22 N 1.43 1.73 -0.00 1.54 0.00 0.58 -1.44 121.76 125.60 2g0k s ALA 22 Ca 0.04 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 2g0k s ALA 22 Cb -0.13 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 21.83 2g0k s ALA 22 CO -0.10 -0.59 0.40 0.20 0.00 0.00 0.00 175.76 175.67 2g0k s GLY 23 N 1.53 2.47 -0.09 0.00 0.00 -0.67 0.40 107.32 110.96 2g0k s GLY 23 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.48 2g0k s GLY 23 CO -0.09 0.12 0.06 0.00 0.00 0.00 0.00 173.10 173.20 2g0k s ALA 24 N -1.09 0.35 0.00 3.20 0.00 2.01 -3.10 121.76 123.14 2g0k s ALA 24 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2g0k s ALA 24 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2g0k s ALA 24 CO 0.13 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2g0k n GLY 25 N 5.27 1.02 2.90 0.00 0.00 -1.18 -1.30 105.19 111.91 2g0k n GLY 25 Ca -0.05 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2g0k n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0k n LEU 26 N 0.00 0.00 -4.67 0.99 4.32 -1.04 -4.64 117.00 111.95 2g0k n LEU 26 Ca 0.00 -1.47 -0.42 0.00 -0.02 0.00 0.00 56.01 54.10 2g0k n LEU 26 Cb 0.00 -0.55 -0.03 0.00 -1.62 0.00 0.00 43.42 41.23 2g0k n LEU 26 CO 0.00 -0.95 1.24 -1.10 -1.22 0.00 0.00 177.39 175.36 2g0k s GLN 27 N -4.60 4.22 0.08 3.23 -0.21 -1.26 -4.67 119.66 116.45 2g0k s GLN 27 Ca 0.51 2.04 -0.31 0.00 0.02 0.00 0.00 55.36 57.63 2g0k s GLN 27 Cb -0.02 -3.77 -0.06 0.00 1.00 0.00 0.00 33.01 30.15 2g0k s GLN 27 CO 0.34 -0.72 1.26 0.00 -2.12 0.00 0.00 175.29 174.06 2g0k s ALA 28 N 3.26 3.46 0.00 6.09 0.00 -1.26 -2.22 121.76 131.09 2g0k s ALA 28 Ca 0.67 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2g0k s ALA 28 Cb -0.31 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2g0k s ALA 28 CO 0.26 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2g0k n GLY 29 N 3.30 0.51 3.81 0.00 0.00 -0.50 -4.96 105.19 107.36 2g0k n GLY 29 Ca 0.10 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 -2.18 5.21 0.36 2.61 2.01 -0.94 -4.84 115.64 117.87 2g0k s THR 30 Ca 0.00 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 2g0k s THR 30 Cb 0.00 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 2g0k s THR 30 CO 0.00 0.53 0.79 0.00 -0.69 0.00 0.00 174.62 175.25 2g0k s ALA 31 N -0.61 3.26 0.02 7.40 0.00 -1.26 -2.16 121.76 128.42 2g0k s ALA 31 Ca 0.20 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2g0k s ALA 31 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 2g0k s ALA 31 CO 0.09 0.24 -0.06 0.71 0.00 0.00 0.00 175.76 176.74 2g0k s TYR 32 N -2.08 0.52 -0.28 0.00 2.02 -0.79 -3.60 117.35 113.13 2g0k s TYR 32 Ca 0.55 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2g0k s TYR 32 Cb -0.10 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 2g0k s TYR 32 CO 0.18 -0.07 0.02 -0.51 -1.57 0.00 0.00 175.55 173.60 2g0k s ASP 33 N -1.10 4.80 -0.06 2.29 1.01 2.79 -3.09 116.67 123.32 2g0k s ASP 33 Ca -0.07 -0.89 -0.05 0.00 0.71 0.00 0.00 52.55 52.25 2g0k s ASP 33 Cb -0.07 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 2g0k s ASP 33 CO 0.00 -0.19 0.16 -0.69 0.21 0.00 0.00 175.17 174.66 2g0k s VAL 34 N 1.39 5.47 0.05 -1.27 1.01 -0.13 0.82 120.40 127.74 2g0k s VAL 34 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 2g0k s VAL 34 Cb -0.18 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.82 2g0k s VAL 34 CO -0.01 0.46 0.98 -0.83 0.00 0.00 0.00 175.10 175.71 2g0k s GLY 35 N -1.51 -0.35 -0.29 4.51 0.00 3.11 -0.42 107.32 112.38 2g0k s GLY 35 Ca 0.21 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 2g0k s GLY 35 CO 0.12 0.18 0.04 1.62 0.00 0.00 0.00 173.10 175.06 2g0k s GLN 36 N -3.07 2.82 0.03 2.90 0.74 -1.25 -0.11 119.66 121.72 2g0k s GLN 36 Ca 0.09 -1.02 0.04 0.00 0.05 0.00 0.00 55.36 54.52 2g0k s GLN 36 Cb -0.01 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2g0k s GLN 36 CO -0.03 -0.51 -0.07 0.00 -0.55 0.00 0.00 175.29 174.13 2g0k s ALA 38 N -1.06 1.86 -0.03 0.00 0.00 0.72 -2.02 121.76 121.23 2g0k s ALA 38 Ca 0.19 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 2g0k s ALA 38 Cb -0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 2g0k s ALA 38 CO 0.10 0.12 1.70 -0.46 0.00 0.00 0.00 175.76 177.22 2g0k s TRP 39 N 0.63 1.93 -0.26 0.00 -0.00 -1.25 -0.38 118.94 119.61 2g0k s TRP 39 Ca -0.14 0.11 -0.05 0.00 -0.00 0.00 0.00 56.10 56.03 2g0k s TRP 39 Cb -0.16 -3.97 -0.15 0.00 -0.00 0.00 0.00 33.47 29.18 2g0k s TRP 39 CO 0.04 -4.10 -0.24 1.33 -0.00 0.00 0.00 176.95 173.98 2g0k n VAL 40 N 5.40 1.52 -4.32 5.86 0.24 0.62 -4.79 118.33 122.86 2g0k n VAL 40 Ca 0.17 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.34 61.80 2g0k n VAL 40 Cb 0.42 -1.63 -0.09 0.00 -1.47 0.00 0.00 33.84 31.08 2g0k n VAL 40 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2g0k s ASP 41 N -6.93 1.53 -0.16 -1.34 1.01 0.20 -5.01 116.67 105.97 2g0k s ASP 41 Ca -0.36 -1.60 -0.29 0.00 0.71 0.00 0.00 52.55 51.01 2g0k s ASP 41 Cb 0.11 0.44 -0.06 0.00 1.01 0.00 0.00 42.92 44.42 2g0k s ASP 41 CO 0.56 -0.93 2.12 0.28 0.21 0.00 0.00 175.17 177.41 2g0k s THR 42 N -3.59 3.05 0.00 -1.27 -1.32 -1.26 -0.35 115.64 110.90 2g0k s THR 42 Ca 0.36 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 2g0k s THR 42 Cb 0.04 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.97 2g0k s THR 42 CO 0.19 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 2g0k n GLY 43 N 5.41 0.39 2.98 6.08 0.00 -1.26 -4.97 105.19 113.82 2g0k n GLY 43 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.89 1.69 -0.02 1.61 1.01 0.52 -5.10 120.40 118.22 2g0k s VAL 44 Ca 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 60.76 2g0k s VAL 44 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2g0k s VAL 44 CO 0.00 -0.03 -0.18 -1.48 0.00 0.00 0.00 175.10 173.41 2g0k s LEU 45 N 1.33 2.00 0.30 3.92 2.34 -1.26 0.60 118.68 127.91 2g0k s LEU 45 Ca -0.06 -0.34 -0.03 0.00 0.06 0.00 0.00 54.13 53.77 2g0k s LEU 45 Cb -0.19 -0.95 -0.05 0.00 -0.56 0.00 0.00 46.19 44.45 2g0k s LEU 45 CO -0.06 0.20 0.54 0.00 -1.06 0.00 0.00 176.35 175.97 2g0k s ALA 46 N -0.30 3.66 0.13 1.48 0.00 0.49 -3.58 121.76 123.63 2g0k s ALA 46 Ca 0.04 -0.67 0.10 0.00 0.00 0.00 0.00 51.96 51.43 2g0k s ALA 46 Cb -0.08 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2g0k s ALA 46 CO 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 175.76 175.75 2g0k s ASN 48 N -2.22 5.01 0.00 0.00 2.47 -0.94 0.19 114.94 119.45 2g0k s ASN 48 Ca 0.18 -1.48 0.20 0.00 0.42 0.00 0.00 52.86 52.17 2g0k s ASN 48 Cb -0.10 -1.75 1.14 0.00 -1.45 0.00 0.00 41.25 39.09 2g0k s ASN 48 CO 0.10 -0.34 1.57 -0.81 -3.72 0.00 0.00 177.10 173.89 2g0k n PRO 49 N 4.62 0.56 0.02 0.43 -0.04 -1.26 -2.04 135.00 137.29 2g0k n PRO 49 Ca -0.10 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2g0k n PRO 49 Cb 0.43 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.04 3.27 -1.92 0.55 0.00 -1.26 -3.92 120.51 116.19 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 0.08 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.76 1.19 -4.60 0.00 8.00 -0.87 -5.01 116.55 113.50 2g0k n ASP 51 Ca 0.04 -2.68 -0.39 0.00 0.71 0.00 0.00 54.79 52.48 2g0k n ASP 51 Cb 0.38 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2g0k s PHE 52 N -1.32 3.24 0.41 1.24 -0.12 -1.19 -3.89 117.98 116.34 2g0k s PHE 52 Ca 0.27 0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.48 2g0k s PHE 52 Cb 0.28 -2.50 0.02 0.00 -0.63 0.00 0.00 43.02 40.19 2g0k s PHE 52 CO -0.07 -0.20 0.19 0.45 -0.05 0.00 0.00 175.22 175.53 2g0k n SER 53 N 5.23 2.63 -3.84 1.98 2.88 0.44 -4.96 113.62 117.98 2g0k n SER 53 Ca -0.10 -2.55 -0.10 0.00 -1.33 0.00 0.00 58.87 54.79 2g0k n SER 53 Cb 0.51 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.98 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 -3.33 0.05 -0.03 -3.46 1.04 -1.26 -2.10 113.70 104.60 2g0k s SER 54 Ca 0.14 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 55.83 2g0k s SER 54 Cb -0.01 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.53 2g0k s SER 54 CO 0.09 -0.62 0.89 0.54 0.98 0.00 0.00 173.24 175.12 2g0k s VAL 55 N -3.01 0.00 -0.05 5.02 0.11 -1.18 -4.94 120.40 116.34 2g0k s VAL 55 Ca -0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2g0k s VAL 55 Cb 0.01 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2g0k s VAL 55 CO -0.06 0.00 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.64 2g0k s THR 56 N -2.66 1.50 0.31 5.04 2.01 -1.26 -1.89 115.64 118.68 2g0k s THR 56 Ca 0.03 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 2g0k s THR 56 Cb -0.01 -1.29 -0.10 0.00 0.01 0.00 0.00 72.50 71.11 2g0k s THR 56 CO -0.06 0.43 1.14 0.00 -0.69 0.00 0.00 174.62 175.44 2g0k s ALA 57 N 0.14 3.38 0.82 7.40 0.00 -0.92 -4.70 121.76 127.88 2g0k s ALA 57 Ca -0.07 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 2g0k s ALA 57 Cb -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2g0k s ALA 57 CO 0.03 -0.29 0.11 -0.40 0.00 0.00 0.00 175.76 175.21 2g0k n ASP 58 N 0.93 0.04 0.27 0.00 5.68 -0.91 -1.41 116.55 121.17 2g0k n ASP 58 Ca -0.00 -1.06 0.12 0.00 -0.50 0.00 0.00 54.79 53.35 2g0k n ASP 58 Cb 0.45 -0.08 0.75 0.00 -1.14 0.00 0.00 41.12 41.09 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 -1.51 1.47 0.00 2.12 0.00 -1.93 0.10 119.26 119.52 2g0k h ALA 59 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2g0k h ALA 59 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g0k h ALA 59 CO 0.03 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2g0k n ASN 60 N -3.88 0.00 -1.35 0.00 4.13 -1.26 -4.86 115.26 108.04 2g0k n ASN 60 Ca -0.02 -0.17 -0.11 0.00 1.68 0.00 0.00 54.58 55.96 2g0k n ASN 60 Cb 0.18 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 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 0.77 -0.02 3.16 7.41 0.00 0.36 -4.74 105.19 112.12 2g0k n GLY 61 Ca 0.13 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.62 2.45 -0.13 1.61 1.04 -1.26 -2.49 113.70 112.29 2g0k s SER 62 Ca 0.05 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 2g0k s SER 62 Cb -0.02 -0.81 0.06 0.00 0.10 0.00 0.00 66.02 65.35 2g0k s SER 62 CO 0.06 0.16 0.28 0.00 0.98 0.00 0.00 173.24 174.72 2g0k s ALA 63 N 0.12 -0.63 0.04 5.32 0.00 -1.18 -2.13 121.76 123.31 2g0k s ALA 63 Ca -0.08 1.02 0.08 0.00 0.00 0.00 0.00 51.96 52.98 2g0k s ALA 63 Cb -0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2g0k s ALA 63 CO 0.04 -0.55 -0.23 -1.12 0.00 0.00 0.00 175.76 173.90 2g0k s SER 64 N 2.17 2.71 0.32 0.00 0.01 -1.26 -1.67 113.70 115.97 2g0k s SER 64 Ca -0.02 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.77 2g0k s SER 64 Cb -0.12 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 2g0k s SER 64 CO -0.09 0.20 0.29 0.28 0.41 0.00 0.00 173.24 174.33 2g0k s THR 65 N -0.78 0.00 -0.28 1.44 -1.32 -0.52 -4.97 115.64 109.22 2g0k s THR 65 Ca 0.09 -1.95 -0.07 0.00 -1.21 0.00 0.00 61.69 58.55 2g0k s THR 65 Cb -0.09 -2.52 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 2g0k s THR 65 CO 0.02 0.00 0.06 -0.44 -2.21 0.00 0.00 174.62 172.05 2g0k s SER 66 N -3.34 5.02 -0.21 8.08 0.01 -1.26 -2.60 113.70 119.40 2g0k s SER 66 Ca 0.39 -0.56 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 2g0k s SER 66 Cb 0.02 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 2g0k s SER 66 CO 0.25 -0.14 0.01 -0.22 0.41 0.00 0.00 173.24 173.55 2g0k s LEU 67 N 1.52 3.25 -0.00 2.44 1.98 -0.97 -4.77 118.68 122.14 2g0k s LEU 67 Ca 0.04 -0.22 -0.17 0.00 -2.89 0.00 0.00 54.13 50.89 2g0k s LEU 67 Cb -0.16 -1.83 -0.06 0.00 0.66 0.00 0.00 46.19 44.80 2g0k s LEU 67 CO 0.02 0.04 0.49 0.28 -1.89 0.00 0.00 176.35 175.29 2g0k s THR 68 N 1.13 4.96 -0.17 3.68 -1.32 -1.26 -0.31 115.64 122.35 2g0k s THR 68 Ca 0.03 1.01 -0.02 0.00 -1.21 0.00 0.00 61.69 61.50 2g0k s THR 68 Cb -0.14 -3.81 -0.01 0.00 -1.51 0.00 0.00 72.50 67.02 2g0k s THR 68 CO 0.01 0.51 -0.08 0.54 -2.21 0.00 0.00 174.62 173.39 2g0k s VAL 69 N -0.66 3.34 0.46 5.08 0.11 -1.17 -4.81 120.40 122.75 2g0k s VAL 69 Ca 0.26 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 2g0k s VAL 69 Cb -0.17 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.20 2g0k s VAL 69 CO 0.15 0.48 0.19 -0.13 -3.33 0.00 0.00 175.10 172.46 2g0k s ARG 70 N 0.74 2.22 0.00 1.54 3.00 -1.26 -4.14 118.95 121.04 2g0k s ARG 70 Ca -0.04 -1.99 0.21 0.00 0.00 0.00 0.00 55.73 53.90 2g0k s ARG 70 Cb -0.15 -1.91 -0.14 0.00 0.00 0.00 0.00 34.95 32.75 2g0k s ARG 70 CO 0.02 -0.27 0.93 2.89 0.00 0.00 0.00 175.30 178.87 2g0k n ARG 71 N -1.35 0.72 -3.60 3.54 1.85 -1.26 -4.66 116.66 111.90 2g0k n ARG 71 Ca -0.05 -0.38 -0.09 0.00 -1.00 0.00 0.00 57.85 56.33 2g0k n ARG 71 Cb 0.65 -1.45 -0.05 0.00 -1.05 0.00 0.00 32.46 30.56 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2g0k s SER 72 N -2.70 -0.35 -0.23 2.89 1.04 -1.26 0.63 113.70 113.73 2g0k s SER 72 Ca 0.11 0.46 -0.37 0.00 0.48 0.00 0.00 55.95 56.63 2g0k s SER 72 Cb 0.16 0.39 0.15 0.00 0.10 0.00 0.00 66.02 66.82 2g0k s SER 72 CO 0.72 -0.27 1.31 0.72 0.98 0.00 0.00 173.24 176.70 2g0k s PHE 73 N -0.80 -0.06 -0.16 5.02 -0.12 -0.69 -4.95 117.98 116.23 2g0k s PHE 73 Ca 0.00 0.03 -0.32 0.00 -0.05 0.00 0.00 56.93 56.59 2g0k s PHE 73 Cb -0.02 0.51 -0.10 0.00 -0.63 0.00 0.00 43.02 42.79 2g0k s PHE 73 CO -0.01 -0.10 2.04 -0.85 -0.05 0.00 0.00 175.22 176.25 2g0k n GLU 74 N -0.07 2.00 -2.47 1.99 0.28 -1.26 0.01 120.64 121.12 2g0k n GLU 74 Ca 0.03 0.67 -0.39 0.00 -0.16 0.00 0.00 57.16 57.30 2g0k n GLU 74 Cb 0.57 -2.81 -0.03 0.00 1.43 0.00 0.00 31.44 30.60 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 5.84 0.96 -0.71 -1.84 0.00 0.22 -3.97 107.32 107.81 2g0k s GLY 75 Ca 0.98 -1.78 -0.25 0.00 0.00 0.00 0.00 44.72 43.67 2g0k s GLY 75 CO 0.46 2.80 1.14 -1.36 0.00 0.00 0.00 173.10 176.14 2g0k s PHE 76 N 6.01 2.48 0.23 1.90 0.40 0.49 -1.09 117.98 128.40 2g0k s PHE 76 Ca 0.46 -0.32 -0.31 0.00 -0.60 0.00 0.00 56.93 56.15 2g0k s PHE 76 Cb -0.04 -4.47 -0.14 0.00 0.51 0.00 0.00 43.02 38.88 2g0k s PHE 76 CO 0.01 -1.87 1.37 -0.11 0.70 0.00 0.00 175.22 175.32 2g0k n LEU 77 N 8.56 2.85 -0.35 -0.37 7.94 0.17 0.17 117.00 135.97 2g0k n LEU 77 Ca 0.01 1.14 0.23 0.00 -1.11 0.00 0.00 56.01 56.29 2g0k n LEU 77 Cb 0.47 -1.39 0.48 0.00 0.53 0.00 0.00 43.42 43.51 2g0k n LEU 77 CO 0.67 -0.62 1.16 2.19 -1.11 0.00 0.00 177.39 179.69 2g0k h PHE 78 N 4.09 0.86 0.00 1.96 -5.15 -1.86 1.96 116.94 118.79 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 2g0k h PHE 78 Cb 1.29 -0.23 0.00 0.00 0.22 0.00 0.00 35.95 37.22 2g0k h PHE 78 CO 0.56 -0.07 0.14 0.22 -2.00 0.00 0.00 178.31 177.16 2g0k h ASP 79 N 0.38 0.00 0.00 -0.68 3.58 -1.91 -3.44 116.42 114.35 2g0k h ASP 79 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 2g0k h ASP 79 Cb 1.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2g0k h ASP 79 CO -0.49 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.48 2g0k n GLY 80 N -1.22 1.61 3.52 -0.78 0.00 0.66 -5.10 105.19 103.88 2g0k n GLY 80 Ca -0.02 -0.13 -0.33 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 3.33 -0.91 2.61 2.01 -1.06 -4.91 115.64 114.72 2g0k s THR 81 Ca 0.00 -0.62 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 2g0k s THR 81 Cb 0.00 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.24 2g0k s THR 81 CO 0.00 0.59 1.32 -0.60 -0.69 0.00 0.00 174.62 175.24 2g0k s ARG 82 N -0.74 3.45 0.04 4.92 3.52 -1.26 0.46 118.95 129.35 2g0k s ARG 82 Ca 0.11 -0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 2g0k s ARG 82 Cb -0.11 -4.91 -0.17 0.00 -1.56 0.00 0.00 34.95 28.20 2g0k s ARG 82 CO 0.01 -2.10 1.37 2.35 -0.81 0.00 0.00 175.30 176.12 2g0k h TRP 83 N 9.69 -0.80 0.00 5.12 2.91 -1.49 -3.48 115.95 127.90 2g0k h TRP 83 Ca 0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2g0k h TRP 83 Cb 1.03 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 2g0k h TRP 83 CO 1.20 -0.46 0.00 0.41 -1.03 0.00 0.00 178.44 178.56 2g0k n GLY 84 N -0.98 2.55 3.57 2.65 0.00 -1.22 -4.96 105.19 106.80 2g0k n GLY 84 Ca -0.13 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 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 3.04 0.39 2.61 2.01 -1.26 0.68 115.64 121.11 2g0k s THR 85 Ca 0.00 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 2g0k s THR 85 Cb 0.00 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 2g0k s THR 85 CO 0.00 -0.07 0.89 0.54 -0.69 0.00 0.00 174.62 175.29 2g0k s VAL 86 N 10.22 4.45 -0.52 3.82 0.11 0.10 -4.78 120.40 133.80 2g0k s VAL 86 Ca 0.97 1.38 -0.10 0.00 -2.93 0.00 0.00 61.98 61.30 2g0k s VAL 86 Cb -0.24 -3.65 0.13 0.00 -1.53 0.00 0.00 36.38 31.10 2g0k s VAL 86 CO 0.30 -0.23 0.41 -1.81 -3.33 0.00 0.00 175.10 170.44 2g0k s ASP 87 N -2.13 5.81 0.60 3.54 1.01 -1.26 -1.70 116.67 122.54 2g0k s ASP 87 Ca 0.58 -2.05 0.29 0.00 0.71 0.00 0.00 52.55 52.08 2g0k s ASP 87 Cb -0.10 -2.04 1.46 0.00 1.01 0.00 0.00 42.92 43.24 2g0k s ASP 87 CO 0.15 -0.68 1.87 0.00 0.21 0.00 0.00 175.17 176.72 2g0k n THR 89 N -3.62 0.01 -0.03 0.00 -2.24 -1.19 -3.13 114.28 104.08 2g0k n THR 89 Ca 0.08 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2g0k n THR 89 Cb 0.69 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.81 0.35 -4.36 4.28 -1.04 0.60 -5.06 114.28 108.24 2g0k n THR 90 Ca 0.18 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.72 2g0k n THR 90 Cb 0.10 -0.49 -0.07 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.13 0.56 -2.69 2.41 0.00 -0.95 -5.07 120.51 112.65 2g0k n ALA 91 Ca -0.09 -1.79 -0.37 0.00 0.00 0.00 0.00 53.44 51.20 2g0k n ALA 91 Cb 0.58 1.30 -0.08 0.00 0.00 0.00 0.00 19.45 21.26 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 -3.07 3.59 0.12 0.00 0.00 -1.26 -4.67 121.76 116.47 2g0k s ALA 92 Ca 0.25 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2g0k s ALA 92 Cb 0.01 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2g0k s ALA 92 CO 0.18 -0.11 0.18 0.00 0.00 0.00 0.00 175.76 176.01 2g0k s GLN 94 N -2.88 0.48 0.30 0.00 -2.07 -0.86 0.25 119.66 114.88 2g0k s GLN 94 Ca 0.32 -0.04 0.06 0.00 -1.82 0.00 0.00 55.36 53.88 2g0k s GLN 94 Cb -0.11 0.21 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 2g0k s GLN 94 CO 0.25 -0.11 0.41 0.08 -1.32 0.00 0.00 175.29 174.60 2g0k s VAL 95 N -0.79 4.48 -0.24 3.63 1.01 -0.83 -1.15 120.40 126.51 2g0k s VAL 95 Ca -0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 61.98 60.50 2g0k s VAL 95 Cb -0.05 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.93 2g0k s VAL 95 CO 0.02 -0.23 1.29 -0.83 0.00 0.00 0.00 175.10 175.35 2g0k s GLY 96 N -4.08 -0.21 -0.06 4.51 0.00 0.85 -3.63 107.32 104.69 2g0k s GLY 96 Ca 0.40 1.87 0.01 0.00 0.00 0.00 0.00 44.72 47.01 2g0k s GLY 96 CO 0.30 0.65 -0.07 0.48 0.00 0.00 0.00 173.10 174.46 2g0k s LEU 97 N -1.96 1.37 0.25 0.66 2.34 1.75 0.67 118.68 123.76 2g0k s LEU 97 Ca 0.10 -0.21 0.11 0.00 0.06 0.00 0.00 54.13 54.18 2g0k s LEU 97 Cb -0.01 -0.65 -0.05 0.00 -0.56 0.00 0.00 46.19 44.93 2g0k s LEU 97 CO -0.04 -0.04 -0.13 -0.44 -1.06 0.00 0.00 176.35 174.64 2g0k s SER 98 N 1.02 3.96 0.00 1.48 0.01 4.52 -2.08 113.70 122.61 2g0k s SER 98 Ca -0.09 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2g0k s SER 98 Cb -0.14 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2g0k s SER 98 CO -0.00 0.05 0.00 -0.90 0.41 0.00 0.00 173.24 172.80 2g0k n ASP 99 N -0.47 0.79 -0.04 2.44 5.75 -1.10 0.63 116.55 124.56 2g0k n ASP 99 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.59 2g0k n ASP 99 Cb 0.58 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.08 0.18 0.00 2.12 0.00 -1.93 -2.64 119.26 117.08 2g0k h ALA 100 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2g0k h ALA 100 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2g0k h ALA 100 CO 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 179.25 178.67 2g0k h ALA 101 N 0.87 0.98 -0.28 0.00 0.00 -1.96 -3.47 119.26 115.40 2g0k h ALA 101 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g0k h ALA 101 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2g0k h ALA 101 CO -0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2g0k n GLY 102 N 0.28 0.63 3.52 0.00 0.00 -1.00 -5.12 105.19 103.50 2g0k n GLY 102 Ca -0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.55 3.98 0.20 1.61 4.22 -1.26 -4.75 114.94 117.39 2g0k s ASN 103 Ca 0.00 -0.69 -0.23 0.00 -2.14 0.00 0.00 52.86 49.80 2g0k s ASN 103 Cb 0.00 -0.56 0.06 0.00 1.28 0.00 0.00 41.25 42.03 2g0k s ASN 103 CO 0.00 0.10 0.91 -0.83 -2.04 0.00 0.00 177.10 175.25 2g0k s GLY 104 N -2.83 -0.11 1.01 0.45 0.00 -1.25 -2.71 107.32 101.88 2g0k s GLY 104 Ca 0.24 -0.10 -0.14 0.00 0.00 0.00 0.00 44.72 44.72 2g0k s GLY 104 CO 0.14 0.29 1.13 2.56 0.00 0.00 0.00 173.10 177.22 2g0k s PRO 105 N -3.16 0.37 0.55 2.90 0.04 -1.26 -4.30 135.00 130.14 2g0k s PRO 105 Ca 0.14 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.29 2g0k s PRO 105 Cb -0.03 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 2g0k s PRO 105 CO 0.04 -2.72 -0.29 -0.85 0.04 0.00 0.00 177.00 173.22 2g0k n GLU 106 N -4.12 0.00 -1.75 4.56 0.28 -0.15 -4.44 120.64 115.02 2g0k n GLU 106 Ca 0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.74 2g0k n GLU 106 Cb 0.59 -0.82 0.05 0.00 1.43 0.00 0.00 31.44 32.68 2g0k n GLU 106 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2g0k s GLY 107 N -0.82 2.29 -0.22 -1.84 0.00 -1.26 -4.83 107.32 100.62 2g0k s GLY 107 Ca 0.42 0.68 -0.00 0.00 0.00 0.00 0.00 44.72 45.82 2g0k s GLY 107 CO 0.59 1.05 -0.03 0.14 0.00 0.00 0.00 173.10 174.86 2g0k s VAL 108 N -2.15 1.26 0.20 1.40 1.01 -1.24 -5.05 120.40 115.83 2g0k s VAL 108 Ca 0.70 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2g0k s VAL 108 Cb -0.23 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2g0k s VAL 108 CO 0.40 -0.14 0.46 0.00 0.00 0.00 0.00 175.10 175.83 2g0k s ALA 109 N 1.52 3.70 0.34 5.51 0.00 -1.26 -1.97 121.76 129.59 2g0k s ALA 109 Ca -0.04 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.50 2g0k s ALA 109 Cb -0.18 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 2g0k s ALA 109 CO -0.07 0.52 -0.09 0.42 0.00 0.00 0.00 175.76 176.54 2g0k s ILE 110 N -1.81 2.18 -0.23 0.00 1.01 0.69 -4.86 121.20 118.18 2g0k s ILE 110 Ca 0.43 -2.20 -0.08 0.00 0.00 0.00 0.00 60.65 58.80 2g0k s ILE 110 Cb -0.11 -2.62 0.10 0.00 0.01 0.00 0.00 42.46 39.84 2g0k s ILE 110 CO 0.25 -0.21 0.50 -0.55 0.00 0.00 0.00 174.94 174.92 2g0k s SER 111 N -3.59 -0.56 -0.20 3.58 0.15 -1.13 -3.92 113.70 108.02 2g0k s SER 111 Ca 0.32 1.19 -0.13 0.00 0.70 0.00 0.00 55.95 58.03 2g0k s SER 111 Cb 0.02 1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 65.94 2g0k s SER 111 CO 0.16 -0.23 0.27 -0.36 1.20 0.00 0.00 173.24 174.29 2g0k s PHE 112 N 2.66 3.39 0.00 3.44 0.40 -1.26 -3.65 117.98 122.96 2g0k s PHE 112 Ca -0.03 0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 2g0k s PHE 112 Cb -0.12 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.05 2g0k s PHE 112 CO -0.15 0.11 0.00 0.09 0.70 0.00 0.00 175.22 175.97