#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 -1.83 -1.13 0.00 0.00 -1.26 -4.55 120.51 111.74 2g0k n ALA 2 Ca 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 2g0k n ALA 2 Cb 0.00 -1.91 0.11 0.00 0.00 0.00 0.00 19.45 17.65 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 1.73 -1.64 -3.28 0.00 -0.04 -1.26 -3.82 135.00 126.68 2g0k n PRO 3 Ca 0.17 -0.84 -0.43 0.00 -0.04 0.00 0.00 63.50 62.36 2g0k n PRO 3 Cb 0.19 -0.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.85 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 -2.02 5.05 -0.01 0.52 2.01 -0.97 -2.82 115.64 117.40 2g0k s THR 4 Ca 0.33 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2g0k s THR 4 Cb -0.03 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 2g0k s THR 4 CO 0.25 -0.51 -0.17 0.00 -0.69 0.00 0.00 174.62 173.49 2g0k s ALA 5 N 2.22 1.44 -0.36 7.40 0.00 -1.24 0.53 121.76 131.74 2g0k s ALA 5 Ca 0.13 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2g0k s ALA 5 Cb -0.18 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2g0k s ALA 5 CO 0.13 0.35 0.23 0.95 0.00 0.00 0.00 175.76 177.42 2g0k s THR 6 N -0.44 4.95 0.17 0.00 -4.23 0.73 -4.77 115.64 112.05 2g0k s THR 6 Ca 0.06 -0.56 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 2g0k s THR 6 Cb -0.07 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2g0k s THR 6 CO -0.00 -0.14 0.06 0.68 -0.54 0.00 0.00 174.62 174.67 2g0k s VAL 7 N 1.64 4.03 1.15 2.29 -7.23 -1.24 -0.33 120.40 120.72 2g0k s VAL 7 Ca 0.04 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 2g0k s VAL 7 Cb -0.18 -3.04 0.26 0.00 0.56 0.00 0.00 36.38 33.98 2g0k s VAL 7 CO 0.08 -0.11 1.08 0.28 -0.31 0.00 0.00 175.10 176.12 2g0k s THR 8 N -1.75 1.74 -0.17 5.32 -1.32 0.12 -4.87 115.64 114.72 2g0k s THR 8 Ca 0.29 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 2g0k s THR 8 Cb -0.10 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 2g0k s THR 8 CO 0.21 0.00 1.42 -2.16 -2.21 0.00 0.00 174.62 171.88 2g0k s PRO 9 N -5.14 4.10 -0.55 7.08 0.04 -1.26 -4.71 135.00 134.56 2g0k s PRO 9 Ca 0.69 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.48 2g0k s PRO 9 Cb -0.14 -3.88 0.41 0.00 0.04 0.00 0.00 34.50 30.93 2g0k s PRO 9 CO 0.58 -0.90 1.48 -1.13 0.04 0.00 0.00 177.00 177.06 2g0k n SER 10 N 7.20 5.85 -3.88 6.66 3.41 -1.26 -4.88 113.62 126.73 2g0k n SER 10 Ca 0.16 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 2g0k n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2g0k s SER 11 N -2.70 3.91 0.00 4.04 1.04 -1.25 -3.44 113.70 115.31 2g0k s SER 11 Ca 0.52 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2g0k s SER 11 Cb 0.43 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2g0k s SER 11 CO -0.19 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2g0k n GLY 12 N 4.70 1.20 3.76 7.32 0.00 -1.26 -4.84 105.19 116.06 2g0k n GLY 12 Ca -0.07 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 4.25 0.39 0.99 1.43 -1.26 -4.96 118.68 119.52 2g0k s LEU 13 Ca 0.00 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 2g0k s LEU 13 Cb 0.00 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2g0k s LEU 13 CO 0.00 0.22 0.33 -0.44 0.23 0.00 0.00 176.35 176.68 2g0k s SER 14 N 0.09 5.04 0.28 2.29 0.01 -1.26 -4.91 113.70 115.23 2g0k s SER 14 Ca 0.10 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.38 2g0k s SER 14 Cb -0.11 -0.68 -0.15 0.00 0.21 0.00 0.00 66.02 65.29 2g0k s SER 14 CO -0.00 -0.54 0.69 -0.90 0.41 0.00 0.00 173.24 172.89 2g0k n ASP 15 N -1.45 -0.32 0.00 2.44 5.75 -1.26 -1.74 116.55 119.97 2g0k n ASP 15 Ca 0.01 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.89 2g0k n ASP 15 Cb 0.61 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 1.69 3.16 3.81 6.12 0.00 -1.26 -5.06 105.19 113.64 2g0k n GLY 16 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.82 4.02 -0.16 2.61 2.01 -0.71 -5.05 115.64 115.54 2g0k s THR 17 Ca 0.00 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.24 2g0k s THR 17 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.04 2g0k s THR 17 CO 0.00 -0.29 -0.10 0.54 -0.69 0.00 0.00 174.62 174.08 2g0k s VAL 18 N -2.09 1.37 0.63 3.82 0.11 -1.26 -3.52 120.40 119.46 2g0k s VAL 18 Ca 0.65 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 2g0k s VAL 18 Cb -0.14 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 2g0k s VAL 18 CO 0.19 0.28 0.97 0.68 -3.33 0.00 0.00 175.10 173.88 2g0k s VAL 19 N 1.54 3.73 0.16 2.04 -7.23 -0.61 -4.95 120.40 115.09 2g0k s VAL 19 Ca 0.02 0.24 0.11 0.00 -1.81 0.00 0.00 61.98 60.53 2g0k s VAL 19 Cb -0.14 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2g0k s VAL 19 CO -0.09 -0.59 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.14 2g0k s LYS 20 N -5.12 1.59 -0.20 4.82 2.36 -1.26 -1.64 119.74 120.29 2g0k s LYS 20 Ca 0.55 -1.39 -0.04 0.00 -2.55 0.00 0.00 55.97 52.55 2g0k s LYS 20 Cb -0.11 -1.94 0.10 0.00 -1.05 0.00 0.00 37.83 34.83 2g0k s LYS 20 CO 0.48 0.43 0.27 0.14 1.55 0.00 0.00 175.35 178.22 2g0k s VAL 21 N -1.40 -0.42 -0.22 4.02 -7.23 -0.33 -0.70 120.40 114.12 2g0k s VAL 21 Ca 0.19 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2g0k s VAL 21 Cb -0.09 -0.68 0.03 0.00 0.56 0.00 0.00 36.38 36.20 2g0k s VAL 21 CO 0.09 -0.14 -0.14 0.00 -0.31 0.00 0.00 175.10 174.61 2g0k s ALA 22 N 2.40 2.50 0.27 1.32 0.00 0.55 -2.00 121.76 126.80 2g0k s ALA 22 Ca 0.08 -1.41 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 2g0k s ALA 22 Cb -0.15 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.45 2g0k s ALA 22 CO -0.13 -0.67 0.87 0.20 0.00 0.00 0.00 175.76 176.03 2g0k s GLY 23 N 1.26 2.82 -0.23 0.00 0.00 -0.72 0.26 107.32 110.71 2g0k s GLY 23 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 2g0k s GLY 23 CO -0.09 0.88 0.16 0.00 0.00 0.00 0.00 173.10 174.05 2g0k s ALA 24 N -1.48 0.23 0.00 3.20 0.00 2.05 -2.59 121.76 123.17 2g0k s ALA 24 Ca 0.45 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2g0k s ALA 24 Cb -0.20 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2g0k s ALA 24 CO 0.25 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2g0k n GLY 25 N 5.28 1.45 0.00 0.00 0.00 -1.26 -2.29 105.19 108.38 2g0k n GLY 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 4.77 -0.91 -4.77 117.00 112.41 2g0k n LEU 26 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2g0k n LEU 26 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2g0k n LEU 26 CO 0.00 -0.25 0.55 -1.10 -1.33 0.00 0.00 177.39 175.26 2g0k s GLN 27 N -0.61 4.28 0.18 3.23 1.11 -1.26 -4.68 119.66 121.91 2g0k s GLN 27 Ca 0.00 0.92 -0.30 0.00 0.01 0.00 0.00 55.36 55.99 2g0k s GLN 27 Cb 0.00 -3.57 -0.08 0.00 -1.01 0.00 0.00 33.01 28.35 2g0k s GLN 27 CO 0.00 -0.30 1.22 0.00 0.01 0.00 0.00 175.29 176.23 2g0k s ALA 28 N 2.05 3.45 0.00 6.09 0.00 -1.26 -2.28 121.76 129.82 2g0k s ALA 28 Ca 0.36 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2g0k s ALA 28 Cb -0.16 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2g0k s ALA 28 CO 0.12 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2g0k n GLY 29 N 2.30 0.43 3.83 0.00 0.00 -0.90 -4.93 105.19 105.92 2g0k n GLY 29 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 5.15 0.27 2.61 2.01 -0.97 -4.81 115.64 117.87 2g0k s THR 30 Ca 0.00 0.69 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 2g0k s THR 30 Cb 0.00 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 2g0k s THR 30 CO 0.00 0.57 0.61 0.00 -0.69 0.00 0.00 174.62 175.11 2g0k s ALA 31 N -0.90 3.50 0.02 7.40 0.00 -1.26 -0.98 121.76 129.53 2g0k s ALA 31 Ca 0.21 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2g0k s ALA 31 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2g0k s ALA 31 CO 0.11 0.40 -0.05 0.71 0.00 0.00 0.00 175.76 176.93 2g0k s TYR 32 N -1.92 0.47 -0.33 0.00 2.02 -0.39 -3.94 117.35 113.27 2g0k s TYR 32 Ca 0.49 -0.35 -0.08 0.00 -0.37 0.00 0.00 57.07 56.76 2g0k s TYR 32 Cb -0.11 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2g0k s TYR 32 CO 0.22 -0.08 0.12 -0.51 -1.57 0.00 0.00 175.55 173.74 2g0k s ASP 33 N -1.02 5.37 0.07 2.29 1.01 1.07 -2.87 116.67 122.58 2g0k s ASP 33 Ca -0.07 -0.91 0.01 0.00 0.71 0.00 0.00 52.55 52.29 2g0k s ASP 33 Cb -0.07 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 2g0k s ASP 33 CO -0.00 -0.28 0.17 -0.69 0.21 0.00 0.00 175.17 174.57 2g0k s VAL 34 N 1.49 5.10 -0.09 -1.27 1.01 0.32 0.57 120.40 127.53 2g0k s VAL 34 Ca 0.01 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.15 2g0k s VAL 34 Cb -0.18 -3.48 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2g0k s VAL 34 CO 0.04 0.13 1.40 -0.83 0.00 0.00 0.00 175.10 175.83 2g0k s GLY 35 N -2.50 -0.36 -0.27 4.51 0.00 0.36 0.58 107.32 109.64 2g0k s GLY 35 Ca 0.33 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.61 2g0k s GLY 35 CO 0.26 3.24 -0.04 1.62 0.00 0.00 0.00 173.10 178.18 2g0k s GLN 36 N -2.03 2.69 0.06 2.90 0.74 -1.25 -2.31 119.66 120.44 2g0k s GLN 36 Ca 0.23 -1.08 0.08 0.00 0.05 0.00 0.00 55.36 54.64 2g0k s GLN 36 Cb 0.04 -3.06 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 2g0k s GLN 36 CO -0.05 -0.48 -0.22 0.00 -0.55 0.00 0.00 175.29 173.99 2g0k s ALA 38 N -0.91 1.87 0.07 0.00 0.00 0.18 -2.21 121.76 120.77 2g0k s ALA 38 Ca 0.14 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 2g0k s ALA 38 Cb -0.10 -0.58 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 2g0k s ALA 38 CO 0.04 0.37 1.67 -0.46 0.00 0.00 0.00 175.76 177.38 2g0k s TRP 39 N -0.14 2.36 -0.17 0.00 -0.00 -1.25 -0.13 118.94 119.62 2g0k s TRP 39 Ca -0.02 0.28 -0.01 0.00 -0.00 0.00 0.00 56.10 56.35 2g0k s TRP 39 Cb -0.12 -3.98 -0.10 0.00 -0.00 0.00 0.00 33.47 29.26 2g0k s TRP 39 CO 0.02 -3.97 -0.17 1.33 -0.00 0.00 0.00 176.95 174.17 2g0k n VAL 40 N 4.77 0.96 -3.89 5.86 0.24 -0.66 -4.86 118.33 120.76 2g0k n VAL 40 Ca 0.16 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.96 2g0k n VAL 40 Cb 0.40 -1.24 -0.16 0.00 -1.47 0.00 0.00 33.84 31.37 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2g0k s ASP 41 N -5.84 0.34 -0.45 -1.34 2.15 -0.05 -5.03 116.67 106.45 2g0k s ASP 41 Ca -0.23 -0.01 -0.40 0.00 0.43 0.00 0.00 52.55 52.34 2g0k s ASP 41 Cb 0.07 -0.19 -0.17 0.00 -0.30 0.00 0.00 42.92 42.33 2g0k s ASP 41 CO 0.37 -0.11 1.83 1.07 -0.17 0.00 0.00 175.17 178.17 2g0k n THR 42 N 4.14 0.00 -0.35 1.71 5.66 -1.26 0.35 114.28 124.53 2g0k n THR 42 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2g0k n THR 42 Cb 0.50 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 6.13 0.81 3.28 1.09 0.00 -1.26 -5.04 105.19 110.20 2g0k n GLY 43 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.07 -0.02 0.01 1.61 -7.23 1.09 -5.13 120.40 108.65 2g0k s VAL 44 Ca 0.00 0.09 0.03 0.00 -1.81 0.00 0.00 61.98 60.29 2g0k s VAL 44 Cb 0.00 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 2g0k s VAL 44 CO 0.00 0.04 -0.10 -1.48 -0.31 0.00 0.00 175.10 173.25 2g0k s LEU 45 N 1.36 2.09 0.08 1.32 2.34 -1.26 -0.87 118.68 123.74 2g0k s LEU 45 Ca -0.09 -0.29 -0.11 0.00 0.06 0.00 0.00 54.13 53.70 2g0k s LEU 45 Cb -0.08 -0.44 -0.06 0.00 -0.56 0.00 0.00 46.19 45.05 2g0k s LEU 45 CO -0.12 0.04 0.43 0.00 -1.06 0.00 0.00 176.35 175.63 2g0k s ALA 46 N -0.53 3.70 0.19 1.48 0.00 0.82 -3.75 121.76 123.67 2g0k s ALA 46 Ca 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.71 2g0k s ALA 46 Cb -0.05 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2g0k s ALA 46 CO 0.00 0.54 0.13 0.00 0.00 0.00 0.00 175.76 176.43 2g0k s ASN 48 N -3.32 5.05 0.00 0.00 2.47 -0.33 0.17 114.94 118.99 2g0k s ASN 48 Ca 0.31 -1.30 0.20 0.00 0.42 0.00 0.00 52.86 52.49 2g0k s ASN 48 Cb -0.09 -1.77 1.16 0.00 -1.45 0.00 0.00 41.25 39.10 2g0k s ASN 48 CO 0.23 -0.31 1.57 -0.81 -3.72 0.00 0.00 177.10 174.06 2g0k n PRO 49 N 4.68 0.59 0.00 0.43 -0.04 -1.26 -1.92 135.00 137.48 2g0k n PRO 49 Ca -0.12 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2g0k n PRO 49 Cb 0.44 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.51 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k n ALA 50 N -1.02 3.95 -1.21 0.55 0.00 -1.26 -4.08 120.51 117.44 2g0k n ALA 50 Ca 0.14 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.14 2g0k n ALA 50 Cb 0.07 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.35 0.70 -4.62 0.00 8.00 -0.81 -5.04 116.55 113.43 2g0k n ASP 51 Ca 0.06 -1.85 -0.42 0.00 0.71 0.00 0.00 54.79 53.28 2g0k n ASP 51 Cb 0.34 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.63 3.20 0.48 1.24 -0.12 -0.99 -3.94 117.98 117.22 2g0k s PHE 52 Ca 0.05 0.91 0.03 0.00 -0.05 0.00 0.00 56.93 57.88 2g0k s PHE 52 Cb 0.05 -3.31 0.03 0.00 -0.63 0.00 0.00 43.02 39.16 2g0k s PHE 52 CO 0.00 -0.60 0.28 0.45 -0.05 0.00 0.00 175.22 175.31 2g0k n SER 53 N 6.34 2.73 -3.88 1.98 2.88 0.19 -4.92 113.62 118.94 2g0k n SER 53 Ca 0.06 -2.76 -0.10 0.00 -1.33 0.00 0.00 58.87 54.74 2g0k n SER 53 Cb 0.48 0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 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 -3.80 0.11 -0.03 -3.46 1.04 -1.26 -1.69 113.70 104.61 2g0k s SER 54 Ca 0.21 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.86 2g0k s SER 54 Cb -0.02 0.28 0.10 0.00 0.10 0.00 0.00 66.02 66.49 2g0k s SER 54 CO 0.14 -0.58 0.89 0.54 0.98 0.00 0.00 173.24 175.20 2g0k s VAL 55 N -2.91 0.00 -0.05 5.02 0.11 -1.14 -4.96 120.40 116.47 2g0k s VAL 55 Ca -0.02 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 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 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.68 2g0k s THR 56 N -2.68 1.25 0.68 5.04 2.01 -1.26 -1.26 115.64 119.42 2g0k s THR 56 Ca 0.03 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 2g0k s THR 56 Cb -0.01 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.41 2g0k s THR 56 CO -0.06 0.37 1.19 0.00 -0.69 0.00 0.00 174.62 175.43 2g0k s ALA 57 N 0.33 2.29 0.43 7.40 0.00 -0.15 -4.80 121.76 127.27 2g0k s ALA 57 Ca -0.09 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2g0k s ALA 57 Cb -0.13 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2g0k s ALA 57 CO 0.03 -1.58 0.21 -0.40 0.00 0.00 0.00 175.76 174.01 2g0k n ASP 58 N -2.40 0.30 0.26 0.00 5.68 -0.75 -2.12 116.55 117.52 2g0k n ASP 58 Ca 0.13 -1.25 0.09 0.00 -0.50 0.00 0.00 54.79 53.26 2g0k n ASP 58 Cb 0.50 -0.13 0.66 0.00 -1.14 0.00 0.00 41.12 41.01 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2g0k h ALA 59 N -0.42 1.85 0.00 2.12 0.00 -1.92 0.22 119.26 121.12 2g0k h ALA 59 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2g0k h ALA 59 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2g0k h ALA 59 CO 0.08 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.46 2g0k n ASN 60 N -4.37 0.00 0.00 0.00 4.13 -1.26 -4.80 115.26 108.96 2g0k n ASN 60 Ca -0.03 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.62 2g0k n ASN 60 Cb 0.12 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 0.76 0.64 3.86 7.41 0.00 0.76 -4.78 105.19 113.84 2g0k n GLY 61 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.28 6.42 0.32 1.61 1.04 -1.26 -2.14 113.70 117.41 2g0k s SER 62 Ca 0.00 0.50 0.09 0.00 0.48 0.00 0.00 55.95 57.03 2g0k s SER 62 Cb 0.00 -2.09 -0.06 0.00 0.10 0.00 0.00 66.02 63.97 2g0k s SER 62 CO 0.00 0.38 -0.11 0.00 0.98 0.00 0.00 173.24 174.49 2g0k s ALA 63 N -0.88 2.78 -0.15 5.32 0.00 -1.07 -1.80 121.76 125.96 2g0k s ALA 63 Ca 0.15 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.04 2g0k s ALA 63 Cb -0.12 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.01 2g0k s ALA 63 CO 0.04 0.09 0.34 -1.54 0.00 0.00 0.00 175.76 174.69 2g0k s SER 64 N -3.55 -0.30 -0.06 0.00 1.04 -1.26 -1.75 113.70 107.82 2g0k s SER 64 Ca 0.31 0.75 -0.29 0.00 0.48 0.00 0.00 55.95 57.19 2g0k s SER 64 Cb 0.01 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.93 2g0k s SER 64 CO 0.15 -0.19 0.82 0.28 0.98 0.00 0.00 173.24 175.28 2g0k s THR 65 N 1.60 0.00 -0.19 2.02 -1.32 -0.85 -4.91 115.64 111.99 2g0k s THR 65 Ca -0.07 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.36 2g0k s THR 65 Cb -0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2g0k s THR 65 CO -0.11 0.00 -0.02 -0.44 -2.21 0.00 0.00 174.62 171.85 2g0k s SER 66 N -1.56 4.73 -0.24 8.08 0.01 -1.26 -1.19 113.70 122.26 2g0k s SER 66 Ca -0.03 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 2g0k s SER 66 Cb -0.00 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 2g0k s SER 66 CO 0.01 0.07 0.07 -0.22 0.41 0.00 0.00 173.24 173.58 2g0k s LEU 67 N 0.95 3.53 0.30 2.44 1.98 -0.65 -4.91 118.68 122.32 2g0k s LEU 67 Ca 0.01 -0.14 -0.28 0.00 -2.89 0.00 0.00 54.13 50.83 2g0k s LEU 67 Cb -0.14 -1.94 -0.09 0.00 0.66 0.00 0.00 46.19 44.67 2g0k s LEU 67 CO 0.01 0.01 0.99 0.28 -1.89 0.00 0.00 176.35 175.76 2g0k s THR 68 N 1.36 3.92 -0.12 3.68 -1.32 -1.26 -1.57 115.64 120.34 2g0k s THR 68 Ca 0.05 1.75 0.01 0.00 -1.21 0.00 0.00 61.69 62.29 2g0k s THR 68 Cb -0.15 -4.04 -0.01 0.00 -1.51 0.00 0.00 72.50 66.79 2g0k s THR 68 CO 0.04 0.28 -0.15 0.54 -2.21 0.00 0.00 174.62 173.11 2g0k s VAL 69 N -1.39 2.91 0.22 5.08 0.11 -1.23 -4.65 120.40 121.45 2g0k s VAL 69 Ca 0.47 -0.72 0.09 0.00 -2.93 0.00 0.00 61.98 58.89 2g0k s VAL 69 Cb -0.24 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2g0k s VAL 69 CO 0.31 0.54 -0.05 -0.13 -3.33 0.00 0.00 175.10 172.43 2g0k s ARG 70 N 0.22 2.17 0.11 1.54 3.00 -1.26 -4.44 118.95 120.30 2g0k s ARG 70 Ca -0.09 -1.33 0.25 0.00 0.00 0.00 0.00 55.73 54.56 2g0k s ARG 70 Cb -0.16 -2.16 0.61 0.00 0.00 0.00 0.00 34.95 33.24 2g0k s ARG 70 CO 0.06 0.41 1.54 2.89 0.00 0.00 0.00 175.30 180.19 2g0k n ARG 71 N -0.37 0.20 -3.61 3.54 -4.01 -1.26 -4.51 116.66 106.64 2g0k n ARG 71 Ca -0.09 0.10 -0.09 0.00 -1.04 0.00 0.00 57.85 56.73 2g0k n ARG 71 Cb 0.57 -1.67 -0.06 0.00 -3.04 0.00 0.00 32.46 28.26 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 -3.97 -0.39 -0.23 2.89 1.04 -1.26 -0.83 113.70 110.96 2g0k s SER 72 Ca 0.09 0.63 -0.35 0.00 0.48 0.00 0.00 55.95 56.80 2g0k s SER 72 Cb 0.14 0.59 0.15 0.00 0.10 0.00 0.00 66.02 67.00 2g0k s SER 72 CO 0.66 -0.22 1.26 0.72 0.98 0.00 0.00 173.24 176.64 2g0k s PHE 73 N -0.36 -0.10 0.06 5.02 -0.12 -0.67 -4.94 117.98 116.88 2g0k s PHE 73 Ca 0.01 0.08 -0.31 0.00 -0.05 0.00 0.00 56.93 56.67 2g0k s PHE 73 Cb -0.03 0.51 -0.10 0.00 -0.63 0.00 0.00 43.02 42.76 2g0k s PHE 73 CO -0.03 -0.14 1.90 -0.85 -0.05 0.00 0.00 175.22 176.05 2g0k n GLU 74 N 0.05 2.76 -2.71 1.99 0.28 -1.26 0.09 120.64 121.84 2g0k n GLU 74 Ca 0.01 1.01 -0.42 0.00 -0.16 0.00 0.00 57.16 57.60 2g0k n GLU 74 Cb 0.58 -2.92 -0.03 0.00 1.43 0.00 0.00 31.44 30.49 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 3.65 1.23 -0.66 -1.84 0.00 0.33 -4.10 107.32 105.93 2g0k s GLY 75 Ca 0.86 -1.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.14 2g0k s GLY 75 CO 0.41 2.29 1.07 -1.36 0.00 0.00 0.00 173.10 175.52 2g0k s PHE 76 N 4.57 2.57 0.31 1.90 0.40 0.46 -0.90 117.98 127.29 2g0k s PHE 76 Ca 0.34 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.13 2g0k s PHE 76 Cb -0.11 -4.37 -0.13 0.00 0.51 0.00 0.00 43.02 38.92 2g0k s PHE 76 CO 0.19 -1.73 1.26 -0.11 0.70 0.00 0.00 175.22 175.53 2g0k n LEU 77 N 8.23 3.10 -0.32 -0.37 7.94 0.92 0.46 117.00 136.96 2g0k n LEU 77 Ca -0.00 1.19 0.16 0.00 -1.11 0.00 0.00 56.01 56.24 2g0k n LEU 77 Cb 0.47 -1.43 0.35 0.00 0.53 0.00 0.00 43.42 43.34 2g0k n LEU 77 CO 0.67 -0.67 1.07 -0.26 -1.11 0.00 0.00 177.39 177.09 2g0k h PHE 78 N 2.81 0.75 0.00 1.96 -1.00 -1.87 1.74 116.94 121.34 2g0k h PHE 78 Ca -0.45 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.29 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2g0k h PHE 78 CO 0.51 -0.05 0.13 -0.44 -1.61 0.00 0.00 178.31 176.86 2g0k h ASP 79 N 0.42 0.00 0.00 2.17 3.32 -1.93 -3.44 116.42 116.96 2g0k h ASP 79 Ca 0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 2g0k h ASP 79 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2g0k h ASP 79 CO -0.54 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.59 2g0k n GLY 80 N -1.23 1.33 3.69 2.75 0.00 0.59 -5.09 105.19 107.22 2g0k n GLY 80 Ca -0.02 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2g0k n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 81 N -2.00 4.04 -0.86 2.61 2.01 -1.14 -4.89 115.64 115.41 2g0k s THR 81 Ca 0.00 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 2g0k s THR 81 Cb 0.00 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.64 2g0k s THR 81 CO 0.00 0.16 1.43 -0.13 -0.69 0.00 0.00 174.62 175.39 2g0k s ARG 82 N -2.19 3.28 0.23 4.92 0.52 -1.26 -0.05 118.95 124.39 2g0k s ARG 82 Ca 0.25 -0.55 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 2g0k s ARG 82 Cb -0.12 -4.74 0.22 0.00 0.52 0.00 0.00 34.95 30.83 2g0k s ARG 82 CO 0.17 -2.29 1.81 2.35 0.02 0.00 0.00 175.30 177.36 2g0k h TRP 83 N 10.34 1.17 0.00 -0.53 7.01 -1.39 -3.48 115.95 129.07 2g0k h TRP 83 Ca -0.06 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.87 2g0k h TRP 83 Cb 1.04 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 2g0k h TRP 83 CO 1.19 0.87 0.00 0.41 -2.79 0.00 0.00 178.44 178.12 2g0k n GLY 84 N -0.95 2.73 3.67 2.65 0.00 -1.23 -4.94 105.19 107.11 2g0k n GLY 84 Ca 0.07 -2.02 -0.46 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.32 0.19 -4.16 2.61 -1.04 -1.26 -0.51 114.28 108.78 2g0k n THR 85 Ca 0.00 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.70 2g0k n THR 85 Cb 0.00 -1.49 -0.07 0.00 -1.82 0.00 0.00 70.33 66.95 2g0k n THR 85 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2g0k s VAL 86 N 0.69 3.97 -0.36 12.58 1.01 0.11 -4.80 120.40 133.61 2g0k s VAL 86 Ca 0.77 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2g0k s VAL 86 Cb -0.69 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 32.80 2g0k s VAL 86 CO 0.41 -0.09 0.11 -1.81 0.00 0.00 0.00 175.10 173.71 2g0k s ASP 87 N -2.95 4.33 0.57 3.32 1.01 -1.26 -1.67 116.67 120.03 2g0k s ASP 87 Ca 0.28 -2.09 0.28 0.00 0.71 0.00 0.00 52.55 51.74 2g0k s ASP 87 Cb -0.10 -1.28 1.48 0.00 1.01 0.00 0.00 42.92 44.04 2g0k s ASP 87 CO 0.20 -0.37 1.94 0.00 0.21 0.00 0.00 175.17 177.15 2g0k n THR 89 N -3.92 0.00 -0.01 0.00 -2.24 -1.24 -3.23 114.28 103.64 2g0k n THR 89 Ca 0.09 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 2g0k n THR 89 Cb 0.66 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.94 0.16 -4.37 4.28 -1.04 0.51 -5.08 114.28 107.80 2g0k n THR 90 Ca 0.22 -0.12 -0.20 0.00 -2.04 0.00 0.00 64.05 61.91 2g0k n THR 90 Cb 0.10 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 67.96 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 -1.99 0.48 -2.67 2.41 0.00 -0.30 -5.05 120.51 113.39 2g0k n ALA 91 Ca -0.04 -1.66 -0.37 0.00 0.00 0.00 0.00 53.44 51.38 2g0k n ALA 91 Cb 0.48 1.15 -0.10 0.00 0.00 0.00 0.00 19.45 20.98 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 -2.93 3.58 0.13 0.00 0.00 -1.26 -4.58 121.76 116.69 2g0k s ALA 92 Ca 0.19 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2g0k s ALA 92 Cb 0.01 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2g0k s ALA 92 CO 0.14 -0.24 0.16 0.00 0.00 0.00 0.00 175.76 175.82 2g0k s GLN 94 N -2.90 0.47 0.25 0.00 -2.07 -0.94 0.29 119.66 114.76 2g0k s GLN 94 Ca 0.32 -0.13 0.07 0.00 -1.82 0.00 0.00 55.36 53.80 2g0k s GLN 94 Cb -0.11 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.98 2g0k s GLN 94 CO 0.25 -0.11 0.15 0.08 -1.32 0.00 0.00 175.29 174.33 2g0k s VAL 95 N -0.92 4.22 -0.04 3.63 1.01 -0.94 -2.18 120.40 125.18 2g0k s VAL 95 Ca -0.10 -1.50 -0.31 0.00 0.00 0.00 0.00 61.98 60.08 2g0k s VAL 95 Cb -0.05 -3.27 0.12 0.00 0.00 0.00 0.00 36.38 33.19 2g0k s VAL 95 CO 0.02 -0.34 1.34 -0.83 0.00 0.00 0.00 175.10 175.29 2g0k s GLY 96 N -3.74 -0.39 -0.09 4.51 0.00 -0.98 -3.26 107.32 103.37 2g0k s GLY 96 Ca 0.32 0.65 -0.00 0.00 0.00 0.00 0.00 44.72 45.69 2g0k s GLY 96 CO 0.24 1.31 -0.05 0.48 0.00 0.00 0.00 173.10 175.08 2g0k s LEU 97 N -3.16 1.05 0.15 0.66 2.34 2.32 0.14 118.68 122.18 2g0k s LEU 97 Ca 0.18 -0.21 0.04 0.00 0.06 0.00 0.00 54.13 54.19 2g0k s LEU 97 Cb 0.05 -0.66 -0.04 0.00 -0.56 0.00 0.00 46.19 44.98 2g0k s LEU 97 CO -0.04 -0.12 0.21 -0.44 -1.06 0.00 0.00 176.35 174.89 2g0k s SER 98 N 1.60 5.91 0.00 1.48 0.01 1.52 -1.10 113.70 123.12 2g0k s SER 98 Ca 0.01 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2g0k s SER 98 Cb -0.13 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2g0k s SER 98 CO -0.05 0.06 0.00 -0.90 0.41 0.00 0.00 173.24 172.76 2g0k n ASP 99 N -0.42 1.47 -0.00 2.44 5.75 -1.04 0.35 116.55 125.10 2g0k n ASP 99 Ca -0.08 -0.09 -0.11 0.00 -0.01 0.00 0.00 54.79 54.50 2g0k n ASP 99 Cb 0.54 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.51 0.12 0.00 2.12 0.00 -1.92 -2.36 119.26 117.72 2g0k h ALA 100 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 100 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2g0k h ALA 100 CO 0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 179.25 178.45 2g0k h ALA 101 N 0.99 0.90 -0.13 0.00 0.00 -1.96 -3.47 119.26 115.59 2g0k h ALA 101 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2g0k h ALA 101 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 101 CO -0.01 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2g0k n GLY 102 N 0.49 0.54 3.57 0.00 0.00 -0.89 -5.13 105.19 103.77 2g0k n GLY 102 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.21 3.72 -0.01 1.61 4.22 -1.26 -4.73 114.94 117.27 2g0k s ASN 103 Ca 0.00 -1.28 -0.19 0.00 -2.14 0.00 0.00 52.86 49.24 2g0k s ASN 103 Cb 0.00 -0.36 0.06 0.00 1.28 0.00 0.00 41.25 42.24 2g0k s ASN 103 CO 0.00 -0.34 0.88 0.61 -2.04 0.00 0.00 177.10 176.21 2g0k n GLY 104 N -0.86 0.36 3.79 0.45 0.00 -1.25 -2.49 105.19 105.19 2g0k n GLY 104 Ca -0.05 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.01 2.64 -0.20 1.61 0.04 -1.26 -4.53 135.00 131.29 2g0k s PRO 105 Ca 0.21 1.08 -0.37 0.00 0.04 0.00 0.00 61.00 61.95 2g0k s PRO 105 Cb -0.01 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 2g0k s PRO 105 CO -0.00 -1.34 1.14 0.39 0.04 0.00 0.00 177.00 177.22 2g0k n GLU 106 N -3.24 0.00 -1.15 4.56 1.02 -1.13 -4.40 120.64 116.30 2g0k n GLU 106 Ca 0.08 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.85 2g0k n GLU 106 Cb 0.53 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g0k n GLY 107 N 2.29 -2.57 3.11 0.62 0.00 -1.26 -4.65 105.19 102.72 2g0k n GLY 107 Ca 0.22 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.58 2.85 0.10 1.61 1.01 -1.20 -5.02 120.40 118.16 2g0k s VAL 108 Ca 0.53 -1.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.43 2g0k s VAL 108 Cb -0.54 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 2g0k s VAL 108 CO 0.57 -0.40 0.72 0.00 0.00 0.00 0.00 175.10 175.99 2g0k s ALA 109 N 1.12 3.46 0.25 5.51 0.00 -1.26 -2.20 121.76 128.64 2g0k s ALA 109 Ca 0.02 0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.33 2g0k s ALA 109 Cb -0.21 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2g0k s ALA 109 CO -0.04 0.24 -0.03 0.42 0.00 0.00 0.00 175.76 176.35 2g0k s ILE 110 N -0.76 3.36 -0.10 0.00 1.01 0.15 -4.94 121.20 119.92 2g0k s ILE 110 Ca 0.35 -1.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.06 2g0k s ILE 110 Cb -0.21 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.53 2g0k s ILE 110 CO 0.23 -0.33 0.17 -0.55 0.00 0.00 0.00 174.94 174.45 2g0k s SER 111 N -3.53 0.82 -0.23 3.58 0.15 -1.22 -4.07 113.70 109.20 2g0k s SER 111 Ca 0.30 0.28 -0.15 0.00 0.70 0.00 0.00 55.95 57.08 2g0k s SER 111 Cb -0.07 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2g0k s SER 111 CO 0.19 -0.25 0.38 -0.36 1.20 0.00 0.00 173.24 174.39 2g0k s PHE 112 N 2.30 3.32 0.00 3.44 0.40 -1.26 -3.78 117.98 122.40 2g0k s PHE 112 Ca 0.03 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 2g0k s PHE 112 Cb -0.12 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 40.88 2g0k s PHE 112 CO -0.06 -0.08 0.00 0.09 0.70 0.00 0.00 175.22 175.86