#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0k n ALA 2 N 0.00 1.61 -1.25 0.00 0.00 -1.26 -4.70 120.51 114.91 2g0k n ALA 2 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 2g0k n ALA 2 Cb 0.00 -2.74 0.21 0.00 0.00 0.00 0.00 19.45 16.91 2g0k n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2g0k n PRO 3 N 7.84 -2.40 -3.47 0.00 -0.04 -1.26 -3.99 135.00 131.68 2g0k n PRO 3 Ca 0.23 -1.58 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 2g0k n PRO 3 Cb 0.41 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.92 5.26 0.19 0.52 2.01 0.13 -2.13 115.64 118.71 2g0k s THR 4 Ca 0.62 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2g0k s THR 4 Cb -0.05 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2g0k s THR 4 CO 0.47 -0.25 -0.16 0.00 -0.69 0.00 0.00 174.62 173.98 2g0k s ALA 5 N 1.70 1.99 -0.17 7.40 0.00 -1.24 0.71 121.76 132.15 2g0k s ALA 5 Ca 0.05 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.45 2g0k s ALA 5 Cb -0.19 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2g0k s ALA 5 CO 0.10 0.13 -0.17 0.95 0.00 0.00 0.00 175.76 176.77 2g0k s THR 6 N -2.56 1.86 0.05 0.00 -4.23 0.69 -4.88 115.64 106.58 2g0k s THR 6 Ca 0.19 -0.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.93 2g0k s THR 6 Cb -0.03 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2g0k s THR 6 CO 0.07 0.48 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.79 2g0k s VAL 7 N 1.36 3.02 0.92 2.29 1.01 -1.23 -1.12 120.40 126.66 2g0k s VAL 7 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 2g0k s VAL 7 Cb -0.13 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.07 2g0k s VAL 7 CO -0.12 0.28 1.09 0.28 0.00 0.00 0.00 175.10 176.63 2g0k s THR 8 N -1.01 2.52 -0.18 3.92 -1.32 -0.71 -4.82 115.64 114.04 2g0k s THR 8 Ca 0.16 0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 60.52 2g0k s THR 8 Cb -0.11 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 2g0k s THR 8 CO 0.08 -0.22 1.43 -2.16 -2.21 0.00 0.00 174.62 171.53 2g0k s PRO 9 N -4.91 4.07 -0.02 7.08 0.04 -1.26 -4.51 135.00 135.49 2g0k s PRO 9 Ca 0.64 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2g0k s PRO 9 Cb -0.18 -3.89 0.04 0.00 0.04 0.00 0.00 34.50 30.51 2g0k s PRO 9 CO 0.57 -0.94 0.89 -1.13 0.04 0.00 0.00 177.00 176.44 2g0k n SER 10 N 7.30 1.37 -4.55 6.66 3.41 -1.26 -4.90 113.62 121.64 2g0k n SER 10 Ca 0.16 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.43 2g0k n SER 10 Cb 0.45 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.03 6.44 0.00 4.04 0.01 -1.23 -3.42 113.70 118.52 2g0k s SER 11 Ca 0.05 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2g0k s SER 11 Cb 0.04 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2g0k s SER 11 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2g0k n GLY 12 N 4.92 0.93 3.63 3.44 0.00 -1.07 -4.51 105.19 112.53 2g0k n GLY 12 Ca 0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 3.65 0.00 0.99 1.43 -1.22 -4.36 118.68 119.17 2g0k s LEU 13 Ca 0.00 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2g0k s LEU 13 Cb 0.00 -1.89 0.15 0.00 0.03 0.00 0.00 46.19 44.48 2g0k s LEU 13 CO 0.00 0.23 1.04 -1.20 0.23 0.00 0.00 176.35 176.66 2g0k n SER 14 N 3.13 1.33 -4.30 2.29 7.64 -1.26 -4.83 113.62 117.61 2g0k n SER 14 Ca -0.17 -2.14 -0.38 0.00 1.01 0.00 0.00 58.87 57.19 2g0k n SER 14 Cb 0.53 -0.68 0.04 0.00 -1.01 0.00 0.00 64.21 63.08 2g0k n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2g0k n ASP 15 N -2.95 -2.95 0.00 6.43 5.75 -1.26 -2.18 116.55 119.38 2g0k n ASP 15 Ca 0.17 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 2g0k n ASP 15 Cb 0.61 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 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 2.31 3.21 3.77 6.12 0.00 -1.23 -5.00 105.19 114.37 2g0k n GLY 16 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.40 3.10 -0.18 2.61 2.01 -0.93 -4.95 115.64 114.91 2g0k s THR 17 Ca 0.00 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2g0k s THR 17 Cb 0.00 -3.32 0.04 0.00 0.01 0.00 0.00 72.50 69.22 2g0k s THR 17 CO 0.00 -0.10 -0.10 0.54 -0.69 0.00 0.00 174.62 174.27 2g0k s VAL 18 N -1.68 1.50 0.28 3.82 0.11 -1.26 -2.18 120.40 120.99 2g0k s VAL 18 Ca 0.70 -0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2g0k s VAL 18 Cb -0.26 -1.57 -0.06 0.00 -1.53 0.00 0.00 36.38 32.97 2g0k s VAL 18 CO 0.30 0.22 0.56 0.54 -3.33 0.00 0.00 175.10 173.39 2g0k s VAL 19 N 1.47 5.00 0.06 2.04 0.11 -0.17 -4.94 120.40 123.97 2g0k s VAL 19 Ca 0.00 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 2g0k s VAL 19 Cb -0.15 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 2g0k s VAL 19 CO -0.09 -0.28 -0.02 -0.75 -3.33 0.00 0.00 175.10 170.64 2g0k s LYS 20 N -3.42 2.56 -0.22 1.54 2.36 -1.26 -0.66 119.74 120.65 2g0k s LYS 20 Ca 0.45 -0.79 -0.04 0.00 -2.55 0.00 0.00 55.97 53.04 2g0k s LYS 20 Cb -0.11 -2.54 0.07 0.00 -1.05 0.00 0.00 37.83 34.21 2g0k s LYS 20 CO 0.28 0.57 0.10 0.08 1.55 0.00 0.00 175.35 177.93 2g0k s VAL 21 N -1.20 -0.01 -0.18 4.02 1.01 -0.44 -1.73 120.40 121.87 2g0k s VAL 21 Ca 0.23 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2g0k s VAL 21 Cb -0.11 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2g0k s VAL 21 CO 0.14 -0.44 -0.12 0.00 0.00 0.00 0.00 175.10 174.69 2g0k s ALA 22 N 2.09 1.92 0.35 5.51 0.00 -0.28 -1.42 121.76 129.93 2g0k s ALA 22 Ca 0.04 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 2g0k s ALA 22 Cb -0.16 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 2g0k s ALA 22 CO -0.19 -0.63 0.78 0.20 0.00 0.00 0.00 175.76 175.92 2g0k s GLY 23 N 1.44 2.32 -0.22 0.00 0.00 -0.87 0.25 107.32 110.23 2g0k s GLY 23 Ca 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.79 2g0k s GLY 23 CO -0.09 0.31 0.29 0.00 0.00 0.00 0.00 173.10 173.61 2g0k s ALA 24 N -2.05 -0.61 0.00 3.20 0.00 3.47 -2.79 121.76 122.98 2g0k s ALA 24 Ca 0.55 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2g0k s ALA 24 Cb -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2g0k s ALA 24 CO 0.18 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2g0k n GLY 25 N 5.34 0.96 3.97 0.00 0.00 -1.03 0.22 105.19 114.64 2g0k n GLY 25 Ca -0.05 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2g0k n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 26 N 0.00 3.03 -0.12 0.99 1.02 -0.94 -4.68 118.68 117.97 2g0k s LEU 26 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 54.13 53.80 2g0k s LEU 26 Cb 0.00 -2.61 -0.13 0.00 0.02 0.00 0.00 46.19 43.47 2g0k s LEU 26 CO 0.00 -1.57 1.83 0.00 0.02 0.00 0.00 176.35 176.63 2g0k n GLN 27 N -2.72 1.91 -2.35 1.70 3.00 -1.26 -4.53 117.38 113.13 2g0k n GLN 27 Ca 0.11 0.70 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 2g0k n GLN 27 Cb 0.60 -2.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.31 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2g0k s ALA 28 N 3.77 3.45 0.00 -1.58 0.00 -1.26 -2.27 121.76 123.87 2g0k s ALA 28 Ca 0.93 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2g0k s ALA 28 Cb -0.79 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2g0k s ALA 28 CO 0.54 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2g0k n GLY 29 N 3.04 0.47 3.85 0.00 0.00 0.16 -4.92 105.19 107.78 2g0k n GLY 29 Ca 0.08 0.00 -0.36 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 -2.12 4.97 0.24 2.61 2.01 -0.96 -4.79 115.64 117.59 2g0k s THR 30 Ca 0.00 0.74 -0.15 0.00 0.31 0.00 0.00 61.69 62.58 2g0k s THR 30 Cb 0.00 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.72 2g0k s THR 30 CO 0.00 0.36 0.66 0.00 -0.69 0.00 0.00 174.62 174.95 2g0k s ALA 31 N -1.33 3.45 -0.03 7.40 0.00 -1.26 -1.72 121.76 128.27 2g0k s ALA 31 Ca 0.32 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2g0k s ALA 31 Cb -0.15 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.30 2g0k s ALA 31 CO 0.17 0.39 -0.06 0.71 0.00 0.00 0.00 175.76 176.98 2g0k s TYR 32 N -1.70 0.69 -0.36 0.00 2.02 -0.72 -4.17 117.35 113.11 2g0k s TYR 32 Ca 0.46 -0.17 -0.14 0.00 -0.37 0.00 0.00 57.07 56.85 2g0k s TYR 32 Cb -0.13 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.87 2g0k s TYR 32 CO 0.19 -0.11 0.31 -0.51 -1.57 0.00 0.00 175.55 173.86 2g0k s ASP 33 N 0.45 6.12 -0.02 2.29 1.11 1.55 -2.97 116.67 125.20 2g0k s ASP 33 Ca -0.06 -0.44 -0.03 0.00 0.18 0.00 0.00 52.55 52.20 2g0k s ASP 33 Cb -0.10 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 2g0k s ASP 33 CO 0.00 -0.33 0.16 -0.69 1.18 0.00 0.00 175.17 175.49 2g0k s VAL 34 N 1.86 5.33 0.09 -1.27 1.01 -0.88 0.97 120.40 127.52 2g0k s VAL 34 Ca 0.09 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 2g0k s VAL 34 Cb -0.17 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.83 2g0k s VAL 34 CO 0.11 0.37 0.95 -0.83 0.00 0.00 0.00 175.10 175.70 2g0k s GLY 35 N -1.78 -0.32 -0.34 4.51 0.00 2.06 -0.13 107.32 111.32 2g0k s GLY 35 Ca 0.25 0.46 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 2g0k s GLY 35 CO 0.16 0.12 0.09 1.62 0.00 0.00 0.00 173.10 175.09 2g0k s GLN 36 N -3.19 2.51 0.06 2.90 0.74 -1.25 -0.54 119.66 120.89 2g0k s GLN 36 Ca 0.10 -1.27 0.06 0.00 0.05 0.00 0.00 55.36 54.29 2g0k s GLN 36 Cb -0.01 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2g0k s GLN 36 CO -0.02 -0.70 -0.12 0.00 -0.55 0.00 0.00 175.29 173.90 2g0k s ALA 38 N -1.07 1.84 0.06 0.00 0.00 0.10 -1.41 121.76 121.29 2g0k s ALA 38 Ca 0.18 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 2g0k s ALA 38 Cb -0.11 -0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 2g0k s ALA 38 CO 0.09 0.43 1.68 -0.46 0.00 0.00 0.00 175.76 177.51 2g0k s TRP 39 N -0.72 2.30 -0.22 0.00 -0.00 -1.26 -0.17 118.94 118.87 2g0k s TRP 39 Ca 0.08 0.24 -0.10 0.00 -0.00 0.00 0.00 56.10 56.32 2g0k s TRP 39 Cb -0.09 -3.99 -0.10 0.00 -0.00 0.00 0.00 33.47 29.29 2g0k s TRP 39 CO 0.01 -4.04 -0.28 0.28 -0.00 0.00 0.00 176.95 172.92 2g0k n VAL 40 N 4.83 1.22 -4.29 5.86 0.31 0.18 -4.84 118.33 121.60 2g0k n VAL 40 Ca 0.16 -0.32 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 2g0k n VAL 40 Cb 0.41 -1.76 -0.10 0.00 -0.91 0.00 0.00 33.84 31.47 2g0k n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2g0k s ASP 41 N -6.93 1.01 -0.31 4.52 1.11 0.19 -4.99 116.67 111.27 2g0k s ASP 41 Ca -0.31 -1.37 -0.35 0.00 0.18 0.00 0.00 52.55 50.70 2g0k s ASP 41 Cb 0.12 0.20 -0.12 0.00 1.07 0.00 0.00 42.92 44.19 2g0k s ASP 41 CO 0.40 -0.74 2.11 1.07 1.18 0.00 0.00 175.17 179.19 2g0k n THR 42 N -0.42 0.25 -0.97 -1.27 5.66 -1.26 0.19 114.28 116.46 2g0k n THR 42 Ca -0.00 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 2g0k n THR 42 Cb 0.66 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.78 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0k n GLY 43 N 6.03 0.32 3.11 1.09 0.00 -1.26 -4.97 105.19 109.50 2g0k n GLY 43 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.72 1.85 -0.04 1.61 1.01 0.50 -5.08 120.40 118.52 2g0k s VAL 44 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2g0k s VAL 44 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2g0k s VAL 44 CO 0.00 0.51 -0.09 -1.48 0.00 0.00 0.00 175.10 174.04 2g0k s LEU 45 N 1.07 1.68 0.17 3.92 2.34 -1.26 0.53 118.68 127.13 2g0k s LEU 45 Ca -0.02 -0.19 -0.10 0.00 0.06 0.00 0.00 54.13 53.87 2g0k s LEU 45 Cb -0.14 -0.57 -0.07 0.00 -0.56 0.00 0.00 46.19 44.85 2g0k s LEU 45 CO -0.06 0.04 0.50 0.00 -1.06 0.00 0.00 176.35 175.77 2g0k s ALA 46 N 0.40 3.62 0.12 1.48 0.00 0.77 -3.52 121.76 124.62 2g0k s ALA 46 Ca -0.07 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2g0k s ALA 46 Cb -0.11 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2g0k s ALA 46 CO 0.01 0.52 0.10 0.00 0.00 0.00 0.00 175.76 176.39 2g0k s ASN 48 N -2.69 5.18 0.00 0.00 2.47 -0.65 0.16 114.94 119.41 2g0k s ASN 48 Ca 0.30 -1.16 0.20 0.00 0.42 0.00 0.00 52.86 52.61 2g0k s ASN 48 Cb -0.11 -1.82 1.18 0.00 -1.45 0.00 0.00 41.25 39.05 2g0k s ASN 48 CO 0.23 -0.30 1.57 -0.81 -3.72 0.00 0.00 177.10 174.07 2g0k n PRO 49 N 4.76 0.62 0.00 0.43 -0.04 -1.26 -2.11 135.00 137.40 2g0k n PRO 49 Ca -0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2g0k n PRO 49 Cb 0.44 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.73 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.00 3.30 -2.06 0.55 0.00 -1.26 -3.84 120.51 116.19 2g0k n ALA 50 Ca 0.15 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.32 2g0k n ALA 50 Cb 0.07 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.42 1.06 -4.59 0.00 8.00 -0.89 -5.00 116.55 113.71 2g0k n ASP 51 Ca 0.07 -2.51 -0.42 0.00 0.71 0.00 0.00 54.79 52.63 2g0k n ASP 51 Cb 0.33 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2g0k s PHE 52 N -0.96 2.67 0.53 1.24 0.08 -1.22 -3.93 117.98 116.38 2g0k s PHE 52 Ca 0.27 0.50 0.09 0.00 0.12 0.00 0.00 56.93 57.90 2g0k s PHE 52 Cb 0.29 -4.49 0.06 0.00 -0.57 0.00 0.00 43.02 38.30 2g0k s PHE 52 CO -0.09 -1.50 0.68 -1.12 -0.10 0.00 0.00 175.22 173.09 2g0k s SER 53 N 2.82 5.17 0.03 1.36 0.01 0.82 -4.97 113.70 118.94 2g0k s SER 53 Ca 0.44 -0.79 -0.07 0.00 1.31 0.00 0.00 55.95 56.84 2g0k s SER 53 Cb -0.07 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 2g0k s SER 53 CO 0.27 -1.15 0.14 -0.94 0.41 0.00 0.00 173.24 171.97 2g0k s SER 54 N -4.52 0.10 -0.06 2.44 1.04 -1.26 -2.20 113.70 109.23 2g0k s SER 54 Ca 0.57 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 2g0k s SER 54 Cb -0.06 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.41 2g0k s SER 54 CO 0.35 -0.50 0.89 0.54 0.98 0.00 0.00 173.24 175.50 2g0k s VAL 55 N -2.38 0.00 0.00 5.02 0.11 -1.16 -4.93 120.40 117.07 2g0k s VAL 55 Ca -0.07 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 2g0k s VAL 55 Cb -0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 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 -2.18 1.26 0.23 5.04 2.01 -1.26 -1.76 115.64 118.98 2g0k s THR 56 Ca 0.01 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 60.94 2g0k s THR 56 Cb -0.01 -1.07 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 2g0k s THR 56 CO -0.03 0.26 0.86 0.00 -0.69 0.00 0.00 174.62 175.03 2g0k s ALA 57 N -0.51 3.36 0.89 7.40 0.00 -0.70 -4.55 121.76 127.65 2g0k s ALA 57 Ca 0.05 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.44 2g0k s ALA 57 Cb -0.07 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.04 2g0k s ALA 57 CO 0.00 0.24 0.41 -0.40 0.00 0.00 0.00 175.76 176.01 2g0k n ASP 58 N 1.27 0.12 0.27 0.00 5.68 -0.73 -0.67 116.55 122.50 2g0k n ASP 58 Ca -0.03 -1.20 0.12 0.00 -0.50 0.00 0.00 54.79 53.18 2g0k n ASP 58 Cb 0.49 -0.30 0.78 0.00 -1.14 0.00 0.00 41.12 40.94 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 -1.63 1.55 0.00 2.12 0.00 -1.91 0.18 119.26 119.57 2g0k h ALA 59 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2g0k h ALA 59 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2g0k h ALA 59 CO 0.10 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.51 2g0k n ASN 60 N -3.96 0.00 -0.60 0.00 4.13 -1.26 -4.83 115.26 108.75 2g0k n ASN 60 Ca -0.03 0.39 -0.04 0.00 1.68 0.00 0.00 54.58 56.59 2g0k n ASN 60 Cb 0.14 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 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 0.89 0.31 3.10 7.41 0.00 0.59 -4.71 105.19 112.79 2g0k n GLY 61 Ca 0.07 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.88 1.88 0.30 1.61 1.04 -1.26 -2.22 113.70 112.18 2g0k s SER 62 Ca 0.03 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.23 2g0k s SER 62 Cb -0.01 -0.49 -0.06 0.00 0.10 0.00 0.00 66.02 65.56 2g0k s SER 62 CO 0.03 0.13 -0.09 0.00 0.98 0.00 0.00 173.24 174.30 2g0k s ALA 63 N 0.04 2.62 -0.08 5.32 0.00 -1.12 -1.77 121.76 126.77 2g0k s ALA 63 Ca -0.03 -1.97 -0.06 0.00 0.00 0.00 0.00 51.96 49.90 2g0k s ALA 63 Cb -0.10 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.10 2g0k s ALA 63 CO 0.01 0.02 0.21 -1.54 0.00 0.00 0.00 175.76 174.46 2g0k s SER 64 N -3.51 -0.21 0.23 0.00 1.04 -1.26 -2.06 113.70 107.92 2g0k s SER 64 Ca 0.31 0.43 -0.22 0.00 0.48 0.00 0.00 55.95 56.95 2g0k s SER 64 Cb 0.02 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.59 2g0k s SER 64 CO 0.14 -0.11 0.92 -0.89 0.98 0.00 0.00 173.24 174.28 2g0k s THR 65 N 0.54 0.00 -0.04 2.02 2.01 -0.51 -4.84 115.64 114.82 2g0k s THR 65 Ca -0.04 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2g0k s THR 65 Cb -0.05 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2g0k s THR 65 CO -0.03 0.00 0.04 -0.44 -0.69 0.00 0.00 174.62 173.50 2g0k s SER 66 N -3.11 0.94 0.25 3.53 0.01 -1.26 -1.33 113.70 112.73 2g0k s SER 66 Ca 0.16 0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.45 2g0k s SER 66 Cb -0.03 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2g0k s SER 66 CO 0.06 -0.20 0.44 -0.22 0.41 0.00 0.00 173.24 173.73 2g0k s LEU 67 N 1.80 4.17 -0.15 2.44 0.20 0.17 -4.94 118.68 122.37 2g0k s LEU 67 Ca 0.01 0.41 -0.06 0.00 0.69 0.00 0.00 54.13 55.18 2g0k s LEU 67 Cb -0.12 -3.21 -0.04 0.00 -0.43 0.00 0.00 46.19 42.38 2g0k s LEU 67 CO -0.03 -0.12 0.06 0.28 -0.29 0.00 0.00 176.35 176.25 2g0k s THR 68 N -2.01 4.80 -0.17 3.68 -1.32 -1.26 -1.00 115.64 118.36 2g0k s THR 68 Ca 0.39 -0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.66 2g0k s THR 68 Cb -0.10 -3.13 -0.04 0.00 -1.51 0.00 0.00 72.50 67.72 2g0k s THR 68 CO 0.31 0.51 0.42 -0.69 -2.21 0.00 0.00 174.62 172.97 2g0k s VAL 69 N -0.08 5.20 -0.00 5.08 1.01 -0.93 -4.85 120.40 125.83 2g0k s VAL 69 Ca 0.07 0.79 0.07 0.00 0.00 0.00 0.00 61.98 62.91 2g0k s VAL 69 Cb -0.12 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2g0k s VAL 69 CO 0.01 0.28 -0.21 -0.13 0.00 0.00 0.00 175.10 175.05 2g0k s ARG 70 N 1.04 2.14 0.31 2.72 3.00 -1.26 -3.58 118.95 123.32 2g0k s ARG 70 Ca 0.21 -0.92 0.07 0.00 0.00 0.00 0.00 55.73 55.09 2g0k s ARG 70 Cb -0.15 -2.15 0.52 0.00 0.00 0.00 0.00 34.95 33.18 2g0k s ARG 70 CO 0.08 0.56 1.75 0.07 0.00 0.00 0.00 175.30 177.76 2g0k h ARG 71 N 5.10 0.26 -3.04 3.54 0.11 -1.92 -3.40 114.38 115.04 2g0k h ARG 71 Ca -0.46 -0.11 -0.03 0.00 0.10 0.00 0.00 59.98 59.48 2g0k h ARG 71 Cb 1.14 -0.01 -0.13 0.00 1.11 0.00 0.00 29.97 32.08 2g0k h ARG 71 CO 0.47 0.57 0.11 -1.54 0.10 0.00 0.00 179.97 179.69 2g0k s SER 72 N -6.87 -0.47 -0.20 0.08 1.04 -1.26 0.91 113.70 106.94 2g0k s SER 72 Ca -0.05 -0.03 -0.36 0.00 0.48 0.00 0.00 55.95 55.99 2g0k s SER 72 Cb 0.14 0.55 0.14 0.00 0.10 0.00 0.00 66.02 66.95 2g0k s SER 72 CO 0.77 -0.89 1.30 0.72 0.98 0.00 0.00 173.24 176.11 2g0k s PHE 73 N -3.50 -0.07 -0.20 5.02 -0.12 -0.79 -4.94 117.98 113.38 2g0k s PHE 73 Ca 0.00 0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 56.63 2g0k s PHE 73 Cb -0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 2g0k s PHE 73 CO -0.10 -0.13 2.00 -1.83 -0.05 0.00 0.00 175.22 175.11 2g0k s GLU 74 N -2.25 3.43 -0.73 1.99 -1.05 -1.26 0.17 118.70 118.99 2g0k s GLU 74 Ca 0.11 1.95 -0.26 0.00 -0.15 0.00 0.00 54.97 56.62 2g0k s GLU 74 Cb 0.00 -4.25 -0.02 0.00 -0.44 0.00 0.00 34.13 29.42 2g0k s GLU 74 CO -0.04 -1.75 1.78 0.20 0.95 0.00 0.00 175.26 176.40 2g0k s GLY 75 N 6.63 0.35 -0.72 -3.83 0.00 0.28 -4.23 107.32 105.79 2g0k s GLY 75 Ca 0.90 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 44.30 2g0k s GLY 75 CO 0.35 3.29 1.17 -1.36 0.00 0.00 0.00 173.10 176.55 2g0k s PHE 76 N 8.67 2.45 0.21 1.90 0.08 0.43 -0.92 117.98 130.81 2g0k s PHE 76 Ca 0.63 -0.30 -0.32 0.00 0.12 0.00 0.00 56.93 57.06 2g0k s PHE 76 Cb -0.10 -4.50 -0.13 0.00 -0.57 0.00 0.00 43.02 37.72 2g0k s PHE 76 CO 0.12 -1.90 1.59 -0.11 -0.10 0.00 0.00 175.22 174.82 2g0k n LEU 77 N 8.68 3.55 -0.35 -0.37 7.94 0.14 0.29 117.00 136.88 2g0k n LEU 77 Ca 0.02 1.10 0.26 0.00 -1.11 0.00 0.00 56.01 56.28 2g0k n LEU 77 Cb 0.48 -1.49 0.55 0.00 0.53 0.00 0.00 43.42 43.48 2g0k n LEU 77 CO 0.68 -0.12 1.22 2.19 -1.11 0.00 0.00 177.39 180.25 2g0k h PHE 78 N 5.66 0.61 0.00 1.96 -5.15 -1.86 1.62 116.94 119.79 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2g0k h PHE 78 Cb 1.24 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2g0k h PHE 78 CO 0.61 0.00 0.09 0.22 -2.00 0.00 0.00 178.31 177.24 2g0k h ASP 79 N 0.31 0.00 0.00 -0.68 1.82 -1.90 -3.44 116.42 112.53 2g0k h ASP 79 Ca 0.64 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 2g0k h ASP 79 Cb 1.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.76 2g0k h ASP 79 CO -0.31 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.93 2g0k n GLY 80 N -1.25 1.54 3.49 -0.78 0.00 0.55 -5.10 105.19 103.65 2g0k n GLY 80 Ca -0.02 -0.16 -0.30 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 2.93 -0.76 2.61 2.01 -1.06 -4.93 115.64 114.44 2g0k s THR 81 Ca 0.00 -1.33 -0.22 0.00 0.31 0.00 0.00 61.69 60.46 2g0k s THR 81 Cb 0.00 -2.30 0.08 0.00 0.01 0.00 0.00 72.50 70.29 2g0k s THR 81 CO 0.00 0.20 1.06 -0.60 -0.69 0.00 0.00 174.62 174.59 2g0k s ARG 82 N -1.86 3.29 0.04 4.92 3.52 -1.26 0.27 118.95 127.86 2g0k s ARG 82 Ca 0.17 -1.10 -0.28 0.00 -0.13 0.00 0.00 55.73 54.40 2g0k s ARG 82 Cb -0.11 -4.50 -0.17 0.00 -1.56 0.00 0.00 34.95 28.61 2g0k s ARG 82 CO 0.09 -1.84 1.42 2.35 -0.81 0.00 0.00 175.30 176.50 2g0k h TRP 83 N 9.39 -0.54 0.00 5.12 7.01 -1.40 -3.48 115.95 132.05 2g0k h TRP 83 Ca -0.13 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.86 2g0k h TRP 83 Cb 1.05 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.29 2g0k h TRP 83 CO 1.05 -0.25 0.00 0.41 -2.79 0.00 0.00 178.44 176.87 2g0k n GLY 84 N -0.83 2.56 3.57 2.65 0.00 -1.23 -4.95 105.19 106.96 2g0k n GLY 84 Ca -0.11 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.94 3.28 0.51 2.61 2.01 -1.26 0.10 115.64 120.94 2g0k s THR 85 Ca 0.00 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.05 2g0k s THR 85 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 2g0k s THR 85 CO 0.00 -0.47 0.98 0.68 -0.69 0.00 0.00 174.62 175.12 2g0k s VAL 86 N 9.11 4.53 -0.58 3.82 -7.23 0.13 -4.77 120.40 125.41 2g0k s VAL 86 Ca 0.81 1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 62.17 2g0k s VAL 86 Cb -0.18 -3.71 0.15 0.00 0.56 0.00 0.00 36.38 33.19 2g0k s VAL 86 CO 0.27 -0.66 0.39 -1.81 -0.31 0.00 0.00 175.10 172.98 2g0k s ASP 87 N -3.01 5.23 0.61 4.85 1.01 -1.26 -1.88 116.67 122.21 2g0k s ASP 87 Ca 0.59 -2.67 0.29 0.00 0.71 0.00 0.00 52.55 51.46 2g0k s ASP 87 Cb -0.10 -1.85 1.52 0.00 1.01 0.00 0.00 42.92 43.51 2g0k s ASP 87 CO 0.30 -0.41 1.92 0.00 0.21 0.00 0.00 175.17 177.20 2g0k n THR 89 N -3.55 0.02 -0.01 0.00 -2.24 -1.14 -3.35 114.28 104.01 2g0k n THR 89 Ca 0.05 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 2g0k n THR 89 Cb 0.57 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.63 0.18 -4.44 4.28 -1.04 0.53 -4.95 114.28 108.22 2g0k n THR 90 Ca 0.19 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.05 61.82 2g0k n THR 90 Cb 0.15 -0.54 -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 -2.14 2.58 -0.22 2.41 0.00 -0.62 -5.07 121.76 118.71 2g0k s ALA 91 Ca -0.02 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 2g0k s ALA 91 Cb 0.01 1.02 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 2g0k s ALA 91 CO 0.15 -0.46 0.23 0.00 0.00 0.00 0.00 175.76 175.69 2g0k s ALA 92 N -3.29 3.61 0.48 0.00 0.00 -1.26 -3.75 121.76 117.55 2g0k s ALA 92 Ca 0.29 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.60 2g0k s ALA 92 Cb 0.02 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.77 2g0k s ALA 92 CO 0.19 -0.15 0.51 0.00 0.00 0.00 0.00 175.76 176.31 2g0k s GLN 94 N -4.32 0.75 0.34 0.00 -2.07 -0.50 -0.57 119.66 113.29 2g0k s GLN 94 Ca 0.49 0.18 0.07 0.00 -1.82 0.00 0.00 55.36 54.29 2g0k s GLN 94 Cb -0.05 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.20 2g0k s GLN 94 CO 0.30 -0.19 0.33 0.08 -1.32 0.00 0.00 175.29 174.49 2g0k s VAL 95 N -0.83 3.60 -0.14 3.63 1.01 -1.06 -0.97 120.40 125.64 2g0k s VAL 95 Ca -0.09 -1.29 -0.34 0.00 0.00 0.00 0.00 61.98 60.26 2g0k s VAL 95 Cb -0.03 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.27 2g0k s VAL 95 CO 0.05 -0.16 1.37 -0.83 0.00 0.00 0.00 175.10 175.52 2g0k s GLY 96 N -4.04 -0.38 -0.05 4.51 0.00 0.30 -2.95 107.32 104.71 2g0k s GLY 96 Ca 0.42 1.22 0.03 0.00 0.00 0.00 0.00 44.72 46.38 2g0k s GLY 96 CO 0.28 0.32 -0.11 0.48 0.00 0.00 0.00 173.10 174.06 2g0k s LEU 97 N -2.66 1.72 0.12 0.66 2.34 0.86 0.53 118.68 122.25 2g0k s LEU 97 Ca 0.13 -0.26 0.08 0.00 0.06 0.00 0.00 54.13 54.14 2g0k s LEU 97 Cb 0.04 -0.73 -0.04 0.00 -0.56 0.00 0.00 46.19 44.90 2g0k s LEU 97 CO -0.05 0.06 -0.10 -0.55 -1.06 0.00 0.00 176.35 174.65 2g0k s SER 98 N 0.41 4.33 0.00 1.48 0.15 6.32 -3.29 113.70 123.09 2g0k s SER 98 Ca -0.09 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2g0k s SER 98 Cb -0.13 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2g0k s SER 98 CO 0.02 0.16 0.00 -0.90 1.20 0.00 0.00 173.24 173.72 2g0k n ASP 99 N 0.57 1.05 -0.03 5.45 5.75 -0.97 0.44 116.55 128.81 2g0k n ASP 99 Ca -0.13 -0.36 -0.12 0.00 -0.01 0.00 0.00 54.79 54.17 2g0k n ASP 99 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.31 0.14 0.00 2.12 0.00 -1.92 -2.64 119.26 117.26 2g0k h ALA 100 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2g0k h ALA 100 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 179.25 178.89 2g0k h ALA 101 N 0.76 1.16 -0.72 0.00 0.00 -1.96 -3.46 119.26 115.04 2g0k h ALA 101 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 101 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2g0k h ALA 101 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2g0k n GLY 102 N -0.33 0.64 3.33 0.00 0.00 -1.00 -5.12 105.19 102.72 2g0k n GLY 102 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.87 1.38 0.10 1.61 6.03 -1.26 -4.82 114.94 116.11 2g0k s ASN 103 Ca 0.00 -1.37 -0.26 0.00 -1.03 0.00 0.00 52.86 50.20 2g0k s ASN 103 Cb 0.00 0.12 0.08 0.00 -3.03 0.00 0.00 41.25 38.42 2g0k s ASN 103 CO 0.00 -0.70 1.09 -0.83 -2.03 0.00 0.00 177.10 174.63 2g0k s GLY 104 N -3.33 -0.24 0.98 0.45 0.00 -1.25 -2.30 107.32 101.62 2g0k s GLY 104 Ca 0.37 0.24 -0.13 0.00 0.00 0.00 0.00 44.72 45.20 2g0k s GLY 104 CO 0.13 0.53 1.12 2.56 0.00 0.00 0.00 173.10 177.44 2g0k s PRO 105 N -2.83 0.58 -0.37 2.90 0.04 -1.26 -4.36 135.00 129.71 2g0k s PRO 105 Ca 0.15 0.34 -0.41 0.00 0.04 0.00 0.00 61.00 61.12 2g0k s PRO 105 Cb 0.01 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.60 2g0k s PRO 105 CO 0.01 -2.59 1.34 -0.85 0.04 0.00 0.00 177.00 174.95 2g0k n GLU 106 N -4.04 0.00 -0.98 4.56 0.28 -0.90 -4.56 120.64 114.99 2g0k n GLU 106 Ca 0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.70 2g0k n GLU 106 Cb 0.58 -1.32 0.04 0.00 1.43 0.00 0.00 31.44 32.17 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 3.18 -3.89 3.02 -1.84 0.00 -1.26 -4.88 105.19 99.52 2g0k n GLY 107 Ca 0.26 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.03 2.18 -0.24 1.61 1.01 -1.15 -5.07 120.40 116.72 2g0k s VAL 108 Ca 0.40 -2.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.05 2g0k s VAL 108 Cb -0.08 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2g0k s VAL 108 CO 0.76 -0.42 0.82 0.00 0.00 0.00 0.00 175.10 176.25 2g0k s ALA 109 N 0.99 3.63 0.39 5.51 0.00 -1.26 -2.57 121.76 128.45 2g0k s ALA 109 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2g0k s ALA 109 Cb -0.19 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2g0k s ALA 109 CO -0.08 -0.89 0.12 0.44 0.00 0.00 0.00 175.76 175.35 2g0k n ILE 110 N 5.20 0.00 -3.75 0.00 -5.35 0.26 -4.97 119.36 110.74 2g0k n ILE 110 Ca 0.05 -2.19 -0.03 0.00 -0.27 0.00 0.00 62.75 60.32 2g0k n ILE 110 Cb 0.48 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 39.11 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2g0k s SER 111 N -3.34 -0.13 -0.21 7.28 1.04 -1.17 -3.07 113.70 114.10 2g0k s SER 111 Ca 0.16 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2g0k s SER 111 Cb 0.01 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.60 2g0k s SER 111 CO 0.12 -0.81 -0.13 -0.36 0.98 0.00 0.00 173.24 173.03 2g0k s PHE 112 N -3.00 2.67 0.00 5.02 0.40 -1.25 -2.58 117.98 119.25 2g0k s PHE 112 Ca 0.14 -1.75 0.00 0.00 -0.60 0.00 0.00 56.93 54.72 2g0k s PHE 112 Cb -0.00 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.76 2g0k s PHE 112 CO 0.02 -0.78 0.00 0.27 0.70 0.00 0.00 175.22 175.42