#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 1.69 1.16 0.00 0.00 -1.26 -4.51 121.76 118.84 2g0k s ALA 2 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 2g0k s ALA 2 Cb 0.00 -1.14 0.25 0.00 0.00 0.00 0.00 23.12 22.22 2g0k s ALA 2 CO 0.00 -0.71 1.01 -0.35 0.00 0.00 0.00 175.76 175.71 2g0k n PRO 3 N 4.81 -2.43 -3.41 0.00 -0.04 -1.26 -4.03 135.00 128.63 2g0k n PRO 3 Ca -0.14 -1.60 -0.43 0.00 -0.04 0.00 0.00 63.50 61.29 2g0k n PRO 3 Cb 0.48 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.94 5.21 0.12 0.52 2.01 0.54 -2.75 115.64 118.35 2g0k s THR 4 Ca 0.63 -0.66 0.09 0.00 0.31 0.00 0.00 61.69 62.07 2g0k s THR 4 Cb -0.05 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2g0k s THR 4 CO 0.47 -0.39 -0.23 0.00 -0.69 0.00 0.00 174.62 173.78 2g0k s ALA 5 N 1.79 2.08 -0.21 7.40 0.00 -1.24 1.00 121.76 132.57 2g0k s ALA 5 Ca 0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 2g0k s ALA 5 Cb -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2g0k s ALA 5 CO 0.10 0.42 -0.08 0.95 0.00 0.00 0.00 175.76 177.16 2g0k s THR 6 N -1.24 3.07 0.01 0.00 -4.23 1.48 -4.86 115.64 109.87 2g0k s THR 6 Ca 0.11 -0.62 0.06 0.00 -1.18 0.00 0.00 61.69 60.05 2g0k s THR 6 Cb -0.09 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 2g0k s THR 6 CO 0.05 0.43 -0.15 0.54 -0.54 0.00 0.00 174.62 174.95 2g0k s VAL 7 N 1.43 3.00 0.98 2.29 0.11 -1.23 -1.08 120.40 125.90 2g0k s VAL 7 Ca 0.05 -1.01 -0.12 0.00 -2.93 0.00 0.00 61.98 57.97 2g0k s VAL 7 Cb -0.14 -2.25 0.18 0.00 -1.53 0.00 0.00 36.38 32.64 2g0k s VAL 7 CO -0.05 0.40 1.08 0.28 -3.33 0.00 0.00 175.10 173.48 2g0k s THR 8 N -0.90 2.29 -0.25 5.04 -1.32 -0.32 -4.90 115.64 115.29 2g0k s THR 8 Ca 0.14 0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 2g0k s THR 8 Cb -0.11 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.37 2g0k s THR 8 CO 0.05 -0.12 1.48 -2.16 -2.21 0.00 0.00 174.62 171.65 2g0k s PRO 9 N -4.86 3.86 -0.05 7.08 0.04 -1.26 -4.69 135.00 135.12 2g0k s PRO 9 Ca 0.65 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.25 2g0k s PRO 9 Cb -0.19 -3.96 0.10 0.00 0.04 0.00 0.00 34.50 30.49 2g0k s PRO 9 CO 0.58 -1.20 1.02 0.45 0.04 0.00 0.00 177.00 177.89 2g0k n SER 10 N 8.04 1.92 -4.53 6.66 2.88 -1.26 -4.92 113.62 122.41 2g0k n SER 10 Ca 0.17 -2.32 -0.41 0.00 -1.33 0.00 0.00 58.87 54.98 2g0k n SER 10 Cb 0.46 -0.16 -0.10 0.00 -0.75 0.00 0.00 64.21 63.66 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 11 N -1.60 6.11 0.00 -3.46 1.04 -1.23 -3.98 113.70 110.58 2g0k s SER 11 Ca 0.11 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2g0k s SER 11 Cb 0.10 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2g0k s SER 11 CO 0.01 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2g0k n GLY 12 N 5.06 0.71 3.48 7.32 0.00 -1.09 -4.66 105.19 116.02 2g0k n GLY 12 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2g0k n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2g0k s LEU 13 N 0.00 2.74 0.00 0.99 0.05 -1.26 -4.42 118.68 116.79 2g0k s LEU 13 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 54.13 53.92 2g0k s LEU 13 Cb 0.00 -1.58 0.00 0.00 -2.05 0.00 0.00 46.19 42.56 2g0k s LEU 13 CO 0.00 0.31 0.02 -1.20 -0.55 0.00 0.00 176.35 174.93 2g0k n SER 14 N 1.99 0.55 -4.24 1.48 7.64 -1.26 -4.80 113.62 114.99 2g0k n SER 14 Ca -0.17 -1.05 -0.37 0.00 1.01 0.00 0.00 58.87 58.29 2g0k n SER 14 Cb 0.52 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.75 2g0k n SER 14 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2g0k n ASP 15 N -2.49 -3.64 0.00 6.43 -0.08 -1.25 -2.56 116.55 112.96 2g0k n ASP 15 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 2g0k n ASP 15 Cb 0.02 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 42.56 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2g0k n GLY 16 N 2.54 3.24 3.90 0.27 0.00 -1.25 -4.96 105.19 108.92 2g0k n GLY 16 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.84 5.20 0.07 2.61 2.01 -1.06 -5.03 115.64 116.60 2g0k s THR 17 Ca 0.00 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2g0k s THR 17 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2g0k s THR 17 CO 0.00 0.12 -0.23 0.68 -0.69 0.00 0.00 174.62 174.50 2g0k s VAL 18 N -1.57 1.86 -0.23 3.82 -7.23 -1.26 -1.90 120.40 113.89 2g0k s VAL 18 Ca 0.38 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2g0k s VAL 18 Cb -0.13 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 2g0k s VAL 18 CO 0.23 0.18 -0.02 0.54 -0.31 0.00 0.00 175.10 175.72 2g0k s VAL 19 N -0.90 3.54 -0.04 1.32 0.11 0.11 -4.92 120.40 119.62 2g0k s VAL 19 Ca 0.09 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.40 2g0k s VAL 19 Cb -0.09 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 2g0k s VAL 19 CO 0.03 0.40 1.05 -0.75 -3.33 0.00 0.00 175.10 172.51 2g0k s LYS 20 N 1.50 4.46 -0.27 1.54 2.36 -1.26 0.58 119.74 128.65 2g0k s LYS 20 Ca 0.06 1.49 -0.03 0.00 -2.55 0.00 0.00 55.97 54.94 2g0k s LYS 20 Cb -0.14 -3.50 0.02 0.00 -1.05 0.00 0.00 37.83 33.16 2g0k s LYS 20 CO -0.02 -0.24 -0.01 0.08 1.55 0.00 0.00 175.35 176.70 2g0k s VAL 21 N 1.61 3.20 -0.11 4.02 1.01 -0.56 -1.17 120.40 128.40 2g0k s VAL 21 Ca 0.52 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2g0k s VAL 21 Cb -0.22 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2g0k s VAL 21 CO 0.23 0.14 -0.12 0.00 0.00 0.00 0.00 175.10 175.35 2g0k s ALA 22 N 1.37 1.52 0.30 5.51 0.00 -0.24 -0.67 121.76 129.55 2g0k s ALA 22 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2g0k s ALA 22 Cb -0.17 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 2g0k s ALA 22 CO -0.02 -0.21 0.60 0.20 0.00 0.00 0.00 175.76 176.33 2g0k s GLY 23 N 1.26 1.98 -0.24 0.00 0.00 -0.62 0.43 107.32 110.13 2g0k s GLY 23 Ca -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 2g0k s GLY 23 CO -0.04 -0.28 0.34 0.00 0.00 0.00 0.00 173.10 173.12 2g0k s ALA 24 N -2.08 -0.86 0.00 3.20 0.00 6.64 -2.69 121.76 125.97 2g0k s ALA 24 Ca 0.46 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2g0k s ALA 24 Cb -0.11 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2g0k s ALA 24 CO 0.28 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.11 2g0k n GLY 25 N 5.35 0.97 3.97 0.00 0.00 -0.81 0.20 105.19 114.88 2g0k n GLY 25 Ca -0.03 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.94 0.03 0.99 1.02 -0.56 -4.60 118.68 118.50 2g0k s LEU 26 Ca 0.00 -0.16 -0.31 0.00 0.02 0.00 0.00 54.13 53.68 2g0k s LEU 26 Cb 0.00 -2.21 -0.10 0.00 0.02 0.00 0.00 46.19 43.90 2g0k s LEU 26 CO 0.00 -1.92 1.91 0.00 0.02 0.00 0.00 176.35 176.35 2g0k n GLN 27 N -2.95 2.67 -2.33 1.70 6.02 -1.26 -4.48 117.38 116.73 2g0k n GLN 27 Ca 0.14 0.97 -0.42 0.00 -0.01 0.00 0.00 57.00 57.68 2g0k n GLN 27 Cb 0.60 -2.88 -0.03 0.00 1.02 0.00 0.00 30.24 28.95 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2g0k s ALA 28 N 3.81 3.46 0.00 -1.58 0.00 -1.26 -2.21 121.76 123.98 2g0k s ALA 28 Ca 0.88 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2g0k s ALA 28 Cb -0.52 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2g0k s ALA 28 CO 0.43 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2g0k n GLY 29 N 3.05 0.49 3.84 0.00 0.00 0.29 -4.91 105.19 107.95 2g0k n GLY 29 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 5.02 0.35 2.61 2.01 -0.94 -4.80 115.64 117.71 2g0k s THR 30 Ca 0.00 0.79 -0.14 0.00 0.31 0.00 0.00 61.69 62.65 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 0.52 0.75 0.00 -0.69 0.00 0.00 174.62 175.20 2g0k s ALA 31 N -1.15 3.32 -0.01 7.40 0.00 -1.26 -1.38 121.76 128.67 2g0k s ALA 31 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2g0k s ALA 31 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2g0k s ALA 31 CO 0.15 0.24 -0.00 0.71 0.00 0.00 0.00 175.76 176.85 2g0k s TYR 32 N -2.09 0.19 -0.36 0.00 2.02 -0.43 -4.13 117.35 112.55 2g0k s TYR 32 Ca 0.54 0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 57.11 2g0k s TYR 32 Cb -0.10 -0.23 -0.00 0.00 -0.40 0.00 0.00 41.96 41.22 2g0k s TYR 32 CO 0.21 -0.06 0.26 -0.51 -1.57 0.00 0.00 175.55 173.87 2g0k s ASP 33 N 0.51 6.05 -0.04 2.29 1.11 1.40 -2.69 116.67 125.29 2g0k s ASP 33 Ca -0.05 -0.59 -0.06 0.00 0.18 0.00 0.00 52.55 52.04 2g0k s ASP 33 Cb -0.07 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 2g0k s ASP 33 CO -0.01 -0.31 0.20 -0.69 1.18 0.00 0.00 175.17 175.54 2g0k s VAL 34 N 1.70 5.42 0.11 -1.27 1.01 -0.70 1.25 120.40 127.91 2g0k s VAL 34 Ca 0.06 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 2g0k s VAL 34 Cb -0.18 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.77 2g0k s VAL 34 CO 0.10 0.45 0.84 -0.83 0.00 0.00 0.00 175.10 175.66 2g0k s GLY 35 N -1.53 -0.37 -0.26 4.51 0.00 1.99 0.28 107.32 111.94 2g0k s GLY 35 Ca 0.23 0.48 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 2g0k s GLY 35 CO 0.13 0.15 0.01 1.62 0.00 0.00 0.00 173.10 175.00 2g0k s GLN 36 N -3.37 3.18 0.36 2.90 0.74 -1.26 -1.03 119.66 121.18 2g0k s GLN 36 Ca 0.07 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 54.79 2g0k s GLN 36 Cb -0.02 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 2g0k s GLN 36 CO -0.04 -0.33 0.27 0.00 -0.55 0.00 0.00 175.29 174.64 2g0k s ALA 38 N -2.38 -1.08 0.16 0.00 0.00 0.93 -2.88 121.76 116.50 2g0k s ALA 38 Ca 0.42 1.39 -0.32 0.00 0.00 0.00 0.00 51.96 53.45 2g0k s ALA 38 Cb -0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.15 2g0k s ALA 38 CO 0.26 -0.24 1.55 -0.46 0.00 0.00 0.00 175.76 176.87 2g0k s TRP 39 N 0.80 3.07 -0.14 0.00 -0.00 -1.26 -0.19 118.94 121.22 2g0k s TRP 39 Ca -0.05 0.65 0.02 0.00 -0.00 0.00 0.00 56.10 56.72 2g0k s TRP 39 Cb -0.06 -3.91 -0.10 0.00 -0.00 0.00 0.00 33.47 29.41 2g0k s TRP 39 CO -0.06 -3.33 -0.11 1.33 -0.00 0.00 0.00 176.95 174.77 2g0k n VAL 40 N 3.98 0.82 -3.74 5.86 0.24 -0.56 -4.84 118.33 120.09 2g0k n VAL 40 Ca 0.14 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2g0k n VAL 40 Cb 0.39 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.71 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 -5.29 -0.13 -0.30 -1.34 1.11 0.73 -5.01 116.67 106.45 2g0k s ASP 41 Ca -0.18 -0.22 -0.35 0.00 0.18 0.00 0.00 52.55 51.97 2g0k s ASP 41 Cb 0.05 0.37 -0.12 0.00 1.07 0.00 0.00 42.92 44.30 2g0k s ASP 41 CO 0.34 -0.65 2.08 0.41 1.18 0.00 0.00 175.17 178.54 2g0k n THR 42 N 0.44 0.27 -0.90 -1.27 -1.04 -1.26 0.21 114.28 110.73 2g0k n THR 42 Ca -0.18 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2g0k n THR 42 Cb 0.60 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g0k n GLY 43 N 5.88 0.56 2.79 3.41 0.00 -1.26 -5.02 105.19 111.55 2g0k n GLY 43 Ca 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.03 0.04 0.19 1.61 -7.23 0.57 -5.13 120.40 108.43 2g0k s VAL 44 Ca 0.00 0.16 0.03 0.00 -1.81 0.00 0.00 61.98 60.36 2g0k s VAL 44 Cb 0.00 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.73 2g0k s VAL 44 CO 0.00 0.11 -0.03 -1.48 -0.31 0.00 0.00 175.10 173.39 2g0k s LEU 45 N 1.04 2.26 0.14 1.32 0.05 -1.26 -0.19 118.68 122.04 2g0k s LEU 45 Ca -0.09 -1.15 0.08 0.00 0.05 0.00 0.00 54.13 53.01 2g0k s LEU 45 Cb -0.13 -0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 43.73 2g0k s LEU 45 CO -0.02 -0.48 -0.18 0.00 -0.55 0.00 0.00 176.35 175.11 2g0k s ALA 46 N -3.46 1.90 0.17 1.48 0.00 0.73 -3.93 121.76 118.65 2g0k s ALA 46 Ca 0.24 -1.41 0.09 0.00 0.00 0.00 0.00 51.96 50.89 2g0k s ALA 46 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2g0k s ALA 46 CO 0.05 0.25 -0.14 0.00 0.00 0.00 0.00 175.76 175.92 2g0k s ASN 48 N -2.62 5.26 0.00 0.00 2.47 -0.72 0.40 114.94 119.73 2g0k s ASN 48 Ca 0.22 -1.42 0.19 0.00 0.42 0.00 0.00 52.86 52.28 2g0k s ASN 48 Cb -0.09 -1.84 1.13 0.00 -1.45 0.00 0.00 41.25 38.99 2g0k s ASN 48 CO 0.13 -0.39 1.57 -0.81 -3.72 0.00 0.00 177.10 173.87 2g0k n PRO 49 N 4.74 0.54 0.00 0.43 -0.04 -1.26 -2.01 135.00 137.40 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 0.28 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.06 3.45 -1.94 0.55 0.00 -1.26 -3.88 120.51 116.37 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 0.08 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.30 1.31 -4.60 0.00 8.00 -0.85 -5.00 116.55 114.11 2g0k n ASP 51 Ca 0.07 -2.86 -0.43 0.00 0.71 0.00 0.00 54.79 52.28 2g0k n ASP 51 Cb 0.34 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.57 2.88 0.48 1.24 0.08 -1.23 -3.98 117.98 115.88 2g0k s PHE 52 Ca 0.32 0.71 0.08 0.00 0.12 0.00 0.00 56.93 58.15 2g0k s PHE 52 Cb 0.33 -4.24 0.02 0.00 -0.57 0.00 0.00 43.02 38.55 2g0k s PHE 52 CO -0.09 -1.17 0.50 0.45 -0.10 0.00 0.00 175.22 174.81 2g0k s SER 53 N 2.32 5.03 0.04 1.36 0.15 0.14 -4.97 113.70 117.76 2g0k s SER 53 Ca 0.45 -0.86 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 2g0k s SER 53 Cb -0.08 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2g0k s SER 53 CO 0.29 -0.93 0.14 -0.94 1.20 0.00 0.00 173.24 173.00 2g0k s SER 54 N -4.31 0.11 -0.05 5.45 1.04 -1.26 -1.72 113.70 112.95 2g0k s SER 54 Ca 0.48 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 2g0k s SER 54 Cb -0.04 0.25 0.11 0.00 0.10 0.00 0.00 66.02 66.44 2g0k s SER 54 CO 0.29 -0.53 0.88 0.54 0.98 0.00 0.00 173.24 175.41 2g0k s VAL 55 N -2.55 0.00 -0.03 5.02 0.11 -1.09 -4.88 120.40 116.97 2g0k s VAL 55 Ca -0.05 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2g0k s VAL 55 Cb -0.01 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2g0k s VAL 55 CO -0.04 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -2.28 1.22 0.15 5.04 2.01 -1.26 -1.31 115.64 119.21 2g0k s THR 56 Ca 0.01 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2g0k s THR 56 Cb -0.01 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 2g0k s THR 56 CO -0.04 0.35 1.04 0.00 -0.69 0.00 0.00 174.62 175.29 2g0k s ALA 57 N -0.03 3.32 1.02 7.40 0.00 -0.48 -4.57 121.76 128.42 2g0k s ALA 57 Ca -0.01 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 52.61 2g0k s ALA 57 Cb -0.09 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.79 2g0k s ALA 57 CO 0.01 -0.13 0.42 -0.40 0.00 0.00 0.00 175.76 175.66 2g0k n ASP 58 N 2.53 -0.27 0.26 0.00 5.68 -0.25 0.10 116.55 124.60 2g0k n ASP 58 Ca 0.02 -1.06 0.10 0.00 -0.50 0.00 0.00 54.79 53.35 2g0k n ASP 58 Cb 0.47 -0.33 0.67 0.00 -1.14 0.00 0.00 41.12 40.80 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 -2.00 1.65 0.00 2.12 0.00 -1.91 0.13 119.26 119.25 2g0k h ALA 59 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.69 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 0.11 0.00 -1.71 0.00 0.00 0.00 179.25 177.74 2g0k n ASN 60 N -4.14 0.00 -0.75 0.00 5.15 -1.26 -4.80 115.26 109.46 2g0k n ASN 60 Ca -0.03 0.12 -0.05 0.00 -0.60 0.00 0.00 54.58 54.02 2g0k n ASN 60 Cb 0.17 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 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 0.61 0.25 3.13 8.20 0.00 0.43 -4.68 105.19 113.12 2g0k n GLY 61 Ca 0.09 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.83 1.78 0.23 1.61 1.04 -1.26 -1.50 113.70 112.78 2g0k s SER 62 Ca 0.03 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.19 2g0k s SER 62 Cb -0.01 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 2g0k s SER 62 CO 0.04 0.16 -0.03 0.00 0.98 0.00 0.00 173.24 174.40 2g0k s ALA 63 N -0.45 1.88 -0.12 5.32 0.00 -1.10 -1.09 121.76 126.21 2g0k s ALA 63 Ca 0.05 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.17 2g0k s ALA 63 Cb -0.06 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.48 2g0k s ALA 63 CO -0.00 -0.20 0.29 -1.12 0.00 0.00 0.00 175.76 174.73 2g0k s SER 64 N -3.32 -0.32 0.35 0.00 0.01 -1.26 -1.59 113.70 107.56 2g0k s SER 64 Ca 0.27 0.61 -0.11 0.00 1.31 0.00 0.00 55.95 58.03 2g0k s SER 64 Cb 0.05 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.86 2g0k s SER 64 CO 0.08 -0.14 0.65 0.28 0.41 0.00 0.00 173.24 174.52 2g0k s THR 65 N 0.81 0.00 -0.11 1.44 -1.32 0.15 -4.85 115.64 111.76 2g0k s THR 65 Ca -0.05 -1.24 -0.01 0.00 -1.21 0.00 0.00 61.69 59.17 2g0k s THR 65 Cb -0.06 -2.65 0.03 0.00 -1.51 0.00 0.00 72.50 68.31 2g0k s THR 65 CO -0.05 0.00 -0.01 -0.44 -2.21 0.00 0.00 174.62 171.90 2g0k s SER 66 N -3.11 2.09 0.24 8.08 0.01 -1.26 -1.50 113.70 118.25 2g0k s SER 66 Ca 0.21 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 2g0k s SER 66 Cb -0.03 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.56 2g0k s SER 66 CO 0.14 -0.20 0.42 -0.22 0.41 0.00 0.00 173.24 173.79 2g0k s LEU 67 N 1.86 4.19 -0.16 2.44 0.20 0.20 -4.90 118.68 122.51 2g0k s LEU 67 Ca 0.03 0.39 -0.02 0.00 0.69 0.00 0.00 54.13 55.22 2g0k s LEU 67 Cb -0.13 -3.18 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 2g0k s LEU 67 CO -0.07 -0.10 -0.08 0.28 -0.29 0.00 0.00 176.35 176.10 2g0k s THR 68 N -1.97 3.47 -0.24 3.68 -1.32 -1.26 0.06 115.64 118.05 2g0k s THR 68 Ca 0.38 -0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 60.23 2g0k s THR 68 Cb -0.10 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 2g0k s THR 68 CO 0.30 0.49 0.29 -0.69 -2.21 0.00 0.00 174.62 172.81 2g0k s VAL 69 N 0.53 5.25 0.03 5.08 1.01 -0.80 -4.83 120.40 126.67 2g0k s VAL 69 Ca -0.05 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2g0k s VAL 69 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2g0k s VAL 69 CO 0.03 0.25 -0.16 -0.13 0.00 0.00 0.00 175.10 175.10 2g0k s ARG 70 N 1.50 2.20 0.36 2.72 3.00 -1.26 -3.84 118.95 123.62 2g0k s ARG 70 Ca 0.13 -0.91 0.09 0.00 0.00 0.00 0.00 55.73 55.04 2g0k s ARG 70 Cb -0.15 -2.26 0.67 0.00 0.00 0.00 0.00 34.95 33.21 2g0k s ARG 70 CO 0.08 0.56 1.84 0.07 0.00 0.00 0.00 175.30 177.85 2g0k h ARG 71 N 4.61 0.24 -3.11 3.54 0.11 -1.93 -3.41 114.38 114.44 2g0k h ARG 71 Ca -0.48 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 59.48 2g0k h ARG 71 Cb 1.16 -0.02 -0.14 0.00 1.11 0.00 0.00 29.97 32.07 2g0k h ARG 71 CO 0.49 0.46 0.01 -1.54 0.10 0.00 0.00 179.97 179.49 2g0k s SER 72 N -6.87 -0.36 -0.24 0.08 1.04 -1.26 0.63 113.70 106.71 2g0k s SER 72 Ca -0.05 -0.09 -0.33 0.00 0.48 0.00 0.00 55.95 55.96 2g0k s SER 72 Cb 0.15 0.50 0.16 0.00 0.10 0.00 0.00 66.02 66.93 2g0k s SER 72 CO 0.75 -0.82 1.28 0.72 0.98 0.00 0.00 173.24 176.14 2g0k s PHE 73 N -3.29 -0.10 -0.35 5.02 -0.12 -1.00 -4.95 117.98 113.19 2g0k s PHE 73 Ca -0.00 0.11 -0.32 0.00 -0.05 0.00 0.00 56.93 56.66 2g0k s PHE 73 Cb 0.00 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.79 2g0k s PHE 73 CO -0.08 -0.12 2.24 -0.85 -0.05 0.00 0.00 175.22 176.35 2g0k n GLU 74 N 0.24 1.27 -1.91 1.99 0.28 -1.26 -0.55 120.64 120.70 2g0k n GLU 74 Ca 0.00 0.32 -0.30 0.00 -0.16 0.00 0.00 57.16 57.03 2g0k n GLU 74 Cb 0.58 -2.72 -0.04 0.00 1.43 0.00 0.00 31.44 30.69 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 8.05 -0.05 -0.75 -1.84 0.00 0.13 -4.15 107.32 108.70 2g0k s GLY 75 Ca 1.07 -0.93 -0.25 0.00 0.00 0.00 0.00 44.72 44.62 2g0k s GLY 75 CO 0.43 3.67 1.20 -1.36 0.00 0.00 0.00 173.10 177.04 2g0k s PHE 76 N 10.77 2.43 0.47 1.90 0.40 1.30 -0.98 117.98 134.27 2g0k s PHE 76 Ca 0.76 -0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 56.57 2g0k s PHE 76 Cb -0.11 -4.53 -0.09 0.00 0.51 0.00 0.00 43.02 38.80 2g0k s PHE 76 CO 0.11 -1.93 1.09 -0.11 0.70 0.00 0.00 175.22 175.07 2g0k n LEU 77 N 8.79 3.36 -0.30 -0.37 7.94 -0.50 0.29 117.00 136.22 2g0k n LEU 77 Ca 0.04 1.00 0.13 0.00 -1.11 0.00 0.00 56.01 56.07 2g0k n LEU 77 Cb 0.48 -1.41 0.29 0.00 0.53 0.00 0.00 43.42 43.31 2g0k n LEU 77 CO 0.68 -1.30 1.00 -0.26 -1.11 0.00 0.00 177.39 176.41 2g0k h PHE 78 N 1.46 0.52 0.00 1.96 -1.00 -1.89 1.94 116.94 119.92 2g0k h PHE 78 Ca -0.47 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.33 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.80 2g0k h PHE 78 CO 0.43 -0.11 0.06 0.22 -1.61 0.00 0.00 178.31 177.31 2g0k h ASP 79 N 0.32 0.00 0.00 2.17 3.58 -1.93 -3.44 116.42 117.12 2g0k h ASP 79 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 2g0k h ASP 79 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2g0k h ASP 79 CO -0.57 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.40 2g0k n GLY 80 N -1.23 1.36 3.43 -0.78 0.00 0.66 -5.07 105.19 103.56 2g0k n GLY 80 Ca -0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 4.18 -0.80 2.61 2.01 -1.18 -4.86 115.64 115.61 2g0k s THR 81 Ca 0.00 -0.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.53 2g0k s THR 81 Cb 0.00 -2.94 -0.09 0.00 0.01 0.00 0.00 72.50 69.47 2g0k s THR 81 CO 0.00 0.36 2.21 0.00 -0.69 0.00 0.00 174.62 176.50 2g0k s ARG 82 N 1.51 2.04 0.04 4.92 1.70 -1.26 -1.40 118.95 126.50 2g0k s ARG 82 Ca 0.06 0.29 -0.32 0.00 -0.47 0.00 0.00 55.73 55.29 2g0k s ARG 82 Cb -0.15 -4.85 -0.18 0.00 -0.57 0.00 0.00 34.95 29.21 2g0k s ARG 82 CO 0.03 -3.87 1.40 2.35 -1.08 0.00 0.00 175.30 174.12 2g0k h TRP 83 N 12.88 -0.94 0.00 5.89 2.91 -1.43 -3.49 115.95 131.78 2g0k h TRP 83 Ca 0.00 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2g0k h TRP 83 Cb 1.03 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 2g0k h TRP 83 CO 1.16 -0.56 0.00 0.41 -1.03 0.00 0.00 178.44 178.42 2g0k n GLY 84 N -1.14 2.87 3.55 2.65 0.00 -1.24 -4.95 105.19 106.93 2g0k n GLY 84 Ca -0.14 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.06 0.09 -2.62 2.61 -1.04 -1.26 0.19 114.28 111.20 2g0k n THR 85 Ca 0.00 -0.57 -0.33 0.00 -2.04 0.00 0.00 64.05 61.11 2g0k n THR 85 Cb 0.00 -2.42 -0.05 0.00 -1.82 0.00 0.00 70.33 66.04 2g0k n THR 85 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2g0k s VAL 86 N 10.12 4.35 -0.61 12.58 0.11 0.29 -4.77 120.40 142.46 2g0k s VAL 86 Ca 1.03 1.33 -0.10 0.00 -2.93 0.00 0.00 61.98 61.32 2g0k s VAL 86 Cb -0.39 -3.61 0.16 0.00 -1.53 0.00 0.00 36.38 31.00 2g0k s VAL 86 CO 0.34 -0.44 0.50 -1.81 -3.33 0.00 0.00 175.10 170.35 2g0k s ASP 87 N -2.48 5.93 0.64 3.54 1.01 -1.26 -2.39 116.67 121.66 2g0k s ASP 87 Ca 0.62 -2.34 0.32 0.00 0.71 0.00 0.00 52.55 51.85 2g0k s ASP 87 Cb -0.10 -2.05 1.74 0.00 1.01 0.00 0.00 42.92 43.52 2g0k s ASP 87 CO 0.21 -0.60 2.03 0.00 0.21 0.00 0.00 175.17 177.01 2g0k n THR 89 N -3.24 0.09 -0.03 0.00 -2.24 -1.21 -3.66 114.28 104.00 2g0k n THR 89 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2g0k n THR 89 Cb 0.36 0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.14 0.34 -4.29 4.28 -1.04 0.46 -4.95 114.28 109.21 2g0k n THR 90 Ca 0.18 -0.33 -0.17 0.00 -2.04 0.00 0.00 64.05 61.68 2g0k n THR 90 Cb 0.32 -0.23 -0.09 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.50 1.76 -0.13 2.41 0.00 -0.80 -5.06 121.76 117.44 2g0k s ALA 91 Ca -0.04 -1.83 -0.21 0.00 0.00 0.00 0.00 51.96 49.88 2g0k s ALA 91 Cb 0.05 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.44 2g0k s ALA 91 CO 0.43 -0.57 0.62 0.00 0.00 0.00 0.00 175.76 176.24 2g0k s ALA 92 N -3.68 3.45 0.31 0.00 0.00 -1.26 -4.27 121.76 116.32 2g0k s ALA 92 Ca 0.38 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.30 2g0k s ALA 92 Cb 0.05 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2g0k s ALA 92 CO 0.19 -0.27 0.31 0.00 0.00 0.00 0.00 175.76 176.00 2g0k s GLN 94 N -4.00 0.54 0.36 0.00 -2.07 -1.14 -0.48 119.66 112.87 2g0k s GLN 94 Ca 0.40 0.42 0.05 0.00 -1.82 0.00 0.00 55.36 54.40 2g0k s GLN 94 Cb -0.07 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 32.10 2g0k s GLN 94 CO 0.27 -0.09 0.52 0.08 -1.32 0.00 0.00 175.29 174.75 2g0k s VAL 95 N -0.13 4.14 -0.17 3.63 1.01 -1.07 -1.94 120.40 125.88 2g0k s VAL 95 Ca -0.03 -0.84 -0.35 0.00 0.00 0.00 0.00 61.98 60.76 2g0k s VAL 95 Cb -0.03 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 33.03 2g0k s VAL 95 CO 0.02 -0.22 1.32 -0.83 0.00 0.00 0.00 175.10 175.38 2g0k s GLY 96 N -4.17 -0.33 -0.06 4.51 0.00 -0.19 -3.14 107.32 103.94 2g0k s GLY 96 Ca 0.45 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.59 2g0k s GLY 96 CO 0.33 0.42 -0.14 0.48 0.00 0.00 0.00 173.10 174.18 2g0k s LEU 97 N -2.44 1.76 -0.04 0.66 2.34 0.54 0.52 118.68 122.01 2g0k s LEU 97 Ca 0.12 -0.32 0.03 0.00 0.06 0.00 0.00 54.13 54.01 2g0k s LEU 97 Cb 0.02 -0.89 -0.03 0.00 -0.56 0.00 0.00 46.19 44.73 2g0k s LEU 97 CO -0.04 0.07 -0.10 -0.44 -1.06 0.00 0.00 176.35 174.78 2g0k s SER 98 N 0.46 4.36 0.00 1.48 0.01 10.63 -3.22 113.70 127.41 2g0k s SER 98 Ca -0.12 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2g0k s SER 98 Cb -0.14 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2g0k s SER 98 CO 0.04 0.34 0.00 -0.90 0.41 0.00 0.00 173.24 173.12 2g0k n ASP 99 N 2.10 0.45 -0.01 2.44 5.75 -1.05 0.42 116.55 126.64 2g0k n ASP 99 Ca -0.17 -0.41 -0.12 0.00 -0.01 0.00 0.00 54.79 54.08 2g0k n ASP 99 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.07 0.09 0.00 2.12 0.00 -1.92 -2.56 119.26 116.92 2g0k h ALA 100 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 100 CO 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 179.25 178.83 2g0k h ALA 101 N 0.78 1.17 -0.85 0.00 0.00 -1.96 -3.46 119.26 114.94 2g0k h ALA 101 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 101 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2g0k h ALA 101 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2g0k n GLY 102 N -0.39 0.62 3.47 0.00 0.00 -0.96 -5.12 105.19 102.81 2g0k n GLY 102 Ca -0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.94 2.51 -0.06 1.61 6.03 -1.26 -4.82 114.94 117.01 2g0k s ASN 103 Ca 0.00 -1.65 -0.31 0.00 -1.03 0.00 0.00 52.86 49.87 2g0k s ASN 103 Cb 0.00 0.46 0.12 0.00 -3.03 0.00 0.00 41.25 38.80 2g0k s ASN 103 CO 0.00 -0.92 1.36 -0.83 -2.03 0.00 0.00 177.10 174.68 2g0k s GLY 104 N -3.55 -0.34 0.97 0.45 0.00 -1.25 -2.53 107.32 101.06 2g0k s GLY 104 Ca 0.27 0.53 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 2g0k s GLY 104 CO 0.16 2.84 1.12 2.56 0.00 0.00 0.00 173.10 179.78 2g0k s PRO 105 N -2.10 0.64 -0.15 2.90 0.04 -1.26 -4.30 135.00 130.77 2g0k s PRO 105 Ca 0.22 0.35 -0.42 0.00 0.04 0.00 0.00 61.00 61.19 2g0k s PRO 105 Cb 0.04 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.61 2g0k s PRO 105 CO -0.04 -2.55 1.28 -0.85 0.04 0.00 0.00 177.00 174.88 2g0k n GLU 106 N -4.02 0.17 -0.98 4.56 0.28 -1.11 -4.65 120.64 114.89 2g0k n GLU 106 Ca 0.06 0.06 -0.36 0.00 -0.16 0.00 0.00 57.16 56.77 2g0k n GLU 106 Cb 0.58 -1.58 0.04 0.00 1.43 0.00 0.00 31.44 31.91 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 2.44 -4.45 3.01 -1.84 0.00 -1.26 -4.92 105.19 98.17 2g0k n GLY 107 Ca 0.23 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.96 2.14 0.04 1.61 1.01 -1.19 -5.06 120.40 116.99 2g0k s VAL 108 Ca 0.39 -2.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 2g0k s VAL 108 Cb -0.15 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2g0k s VAL 108 CO 0.80 -0.43 0.80 0.00 0.00 0.00 0.00 175.10 176.27 2g0k s ALA 109 N 1.01 3.33 0.00 5.51 0.00 -1.26 -2.59 121.76 127.76 2g0k s ALA 109 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2g0k s ALA 109 Cb -0.19 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2g0k s ALA 109 CO -0.08 0.02 0.00 0.44 0.00 0.00 0.00 175.76 176.14 2g0k n ILE 110 N 2.97 0.00 -3.63 0.00 -5.35 0.37 -4.95 119.36 108.77 2g0k n ILE 110 Ca -0.01 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.44 2g0k n ILE 110 Cb 0.50 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2g0k s SER 111 N -0.99 -0.05 -0.23 7.28 0.01 -1.22 -3.79 113.70 114.71 2g0k s SER 111 Ca 0.00 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.23 2g0k s SER 111 Cb 0.00 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 2g0k s SER 111 CO 0.00 -0.08 -0.02 -0.36 0.41 0.00 0.00 173.24 173.19 2g0k s PHE 112 N -2.01 2.99 0.00 2.43 0.40 -1.26 -2.67 117.98 117.87 2g0k s PHE 112 Ca 0.11 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2g0k s PHE 112 Cb -0.01 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.39 2g0k s PHE 112 CO -0.04 -0.55 0.00 0.27 0.70 0.00 0.00 175.22 175.61