#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 -0.70 1.10 0.00 0.00 -1.26 -4.63 121.76 116.27 2g0k s ALA 2 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2g0k s ALA 2 Cb 0.00 -1.02 0.16 0.00 0.00 0.00 0.00 23.12 22.26 2g0k s ALA 2 CO 0.00 -0.58 0.65 -0.35 0.00 0.00 0.00 175.76 175.48 2g0k n PRO 3 N 5.14 -1.83 -3.56 0.00 -0.04 -1.26 -4.01 135.00 129.43 2g0k n PRO 3 Ca -0.10 -1.02 -0.39 0.00 -0.04 0.00 0.00 63.50 61.95 2g0k n PRO 3 Cb 0.50 -0.88 -0.11 0.00 -0.04 0.00 0.00 33.50 32.98 2g0k n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2g0k s THR 4 N -2.24 5.30 0.06 0.52 -1.32 0.28 -2.19 115.64 116.05 2g0k s THR 4 Ca 0.40 -0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.91 2g0k s THR 4 Cb -0.03 -3.61 -0.03 0.00 -1.51 0.00 0.00 72.50 67.32 2g0k s THR 4 CO 0.30 0.13 -0.11 0.00 -2.21 0.00 0.00 174.62 172.74 2g0k s ALA 5 N 1.74 0.88 -0.26 11.08 0.00 -1.22 0.99 121.76 134.96 2g0k s ALA 5 Ca 0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2g0k s ALA 5 Cb -0.17 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2g0k s ALA 5 CO 0.11 0.05 -0.03 0.95 0.00 0.00 0.00 175.76 176.84 2g0k s THR 6 N -1.47 3.06 0.09 0.00 -4.23 0.86 -4.82 115.64 109.14 2g0k s THR 6 Ca -0.05 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 2g0k s THR 6 Cb -0.09 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2g0k s THR 6 CO 0.01 0.13 -0.06 0.68 -0.54 0.00 0.00 174.62 174.84 2g0k s VAL 7 N 1.34 3.65 0.95 2.29 -7.23 -1.24 -0.69 120.40 119.46 2g0k s VAL 7 Ca -0.00 -1.13 -0.12 0.00 -1.81 0.00 0.00 61.98 58.91 2g0k s VAL 7 Cb -0.17 -2.72 0.16 0.00 0.56 0.00 0.00 36.38 34.21 2g0k s VAL 7 CO -0.03 0.12 1.09 0.28 -0.31 0.00 0.00 175.10 176.26 2g0k s THR 8 N -1.25 2.35 -0.14 5.32 -1.32 0.07 -4.84 115.64 115.83 2g0k s THR 8 Ca 0.23 0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 60.53 2g0k s THR 8 Cb -0.11 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 2g0k s THR 8 CO 0.15 -0.15 1.41 -2.16 -2.21 0.00 0.00 174.62 171.66 2g0k s PRO 9 N -4.96 4.16 -0.04 7.08 0.04 -1.26 -4.52 135.00 135.51 2g0k s PRO 9 Ca 0.64 1.79 0.05 0.00 0.04 0.00 0.00 61.00 63.53 2g0k s PRO 9 Cb -0.18 -3.86 0.08 0.00 0.04 0.00 0.00 34.50 30.58 2g0k s PRO 9 CO 0.57 -0.82 0.96 -1.13 0.04 0.00 0.00 177.00 176.62 2g0k n SER 10 N 6.97 1.56 -4.56 6.66 3.41 -1.26 -4.91 113.62 121.48 2g0k n SER 10 Ca 0.15 -2.13 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 2g0k n SER 10 Cb 0.44 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.34 6.37 0.00 4.04 1.04 -1.26 -3.79 113.70 118.76 2g0k s SER 11 Ca 0.09 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2g0k s SER 11 Cb 0.08 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2g0k s SER 11 CO 0.01 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2g0k n GLY 12 N 4.72 0.86 3.63 7.32 0.00 -1.21 -4.81 105.19 115.70 2g0k n GLY 12 Ca -0.03 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 3.40 0.47 0.99 1.43 -1.25 -4.80 118.68 118.92 2g0k s LEU 13 Ca 0.00 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2g0k s LEU 13 Cb 0.00 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2g0k s LEU 13 CO 0.00 0.36 0.64 -0.44 0.23 0.00 0.00 176.35 177.14 2g0k s SER 14 N -0.75 5.54 0.59 2.29 0.01 -1.26 -4.79 113.70 115.33 2g0k s SER 14 Ca 0.12 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.96 2g0k s SER 14 Cb -0.11 -0.80 -0.11 0.00 0.21 0.00 0.00 66.02 65.21 2g0k s SER 14 CO 0.02 -0.89 0.15 -0.90 0.41 0.00 0.00 173.24 172.03 2g0k n ASP 15 N -2.03 -2.56 0.00 2.44 5.68 -1.26 -2.19 116.55 116.62 2g0k n ASP 15 Ca 0.07 0.64 0.00 0.00 -0.50 0.00 0.00 54.79 55.01 2g0k n ASP 15 Cb 0.59 -1.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g0k n GLY 16 N 2.20 3.20 3.78 6.12 0.00 -1.26 -5.04 105.19 114.19 2g0k n GLY 16 Ca 0.09 0.00 -0.37 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 -2.61 4.04 0.04 2.61 2.01 -0.93 -5.00 115.64 115.80 2g0k s THR 17 Ca 0.00 1.70 0.05 0.00 0.31 0.00 0.00 61.69 63.75 2g0k s THR 17 Cb 0.00 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2g0k s THR 17 CO 0.00 0.14 -0.11 0.54 -0.69 0.00 0.00 174.62 174.50 2g0k s VAL 18 N -1.58 3.32 0.24 3.82 0.11 -1.26 -2.27 120.40 122.78 2g0k s VAL 18 Ca 0.51 -1.03 0.11 0.00 -2.93 0.00 0.00 61.98 58.64 2g0k s VAL 18 Cb -0.21 -2.46 -0.05 0.00 -1.53 0.00 0.00 36.38 32.14 2g0k s VAL 18 CO 0.26 0.30 -0.14 0.68 -3.33 0.00 0.00 175.10 172.87 2g0k s VAL 19 N -1.04 2.83 0.12 2.04 -7.23 -0.61 -4.89 120.40 111.62 2g0k s VAL 19 Ca 0.18 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2g0k s VAL 19 Cb -0.11 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2g0k s VAL 19 CO 0.09 -0.27 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.76 2g0k s LYS 20 N -3.23 2.12 -0.25 4.82 2.36 -1.26 -1.68 119.74 122.63 2g0k s LYS 20 Ca 0.27 -1.08 -0.02 0.00 -2.55 0.00 0.00 55.97 52.59 2g0k s LYS 20 Cb -0.07 -2.28 0.11 0.00 -1.05 0.00 0.00 37.83 34.55 2g0k s LYS 20 CO 0.15 0.49 0.26 0.54 1.55 0.00 0.00 175.35 178.34 2g0k s VAL 21 N -1.34 -0.36 -0.24 4.02 0.11 -0.43 -0.75 120.40 121.40 2g0k s VAL 21 Ca 0.22 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2g0k s VAL 21 Cb -0.11 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2g0k s VAL 21 CO 0.14 -0.34 -0.08 0.00 -3.33 0.00 0.00 175.10 171.49 2g0k s ALA 22 N 2.34 2.64 0.23 1.54 0.00 0.13 -1.87 121.76 126.77 2g0k s ALA 22 Ca 0.09 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.37 2g0k s ALA 22 Cb -0.15 -1.61 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 2g0k s ALA 22 CO -0.22 -0.78 0.78 0.20 0.00 0.00 0.00 175.76 175.73 2g0k s GLY 23 N 1.30 2.73 -0.16 0.00 0.00 -0.88 0.30 107.32 110.60 2g0k s GLY 23 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.95 2g0k s GLY 23 CO -0.06 0.69 0.08 0.00 0.00 0.00 0.00 173.10 173.82 2g0k s ALA 24 N -1.45 0.45 0.00 3.20 0.00 6.52 -2.76 121.76 127.72 2g0k s ALA 24 Ca 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2g0k s ALA 24 Cb -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2g0k s ALA 24 CO 0.23 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2g0k n GLY 25 N 5.26 1.32 0.00 0.00 0.00 -1.25 0.10 105.19 110.62 2g0k n GLY 25 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.05 -4.68 117.00 112.36 2g0k n LEU 26 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2g0k n LEU 26 Cb 0.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2g0k n LEU 26 CO 0.00 -0.49 0.76 -1.10 -1.33 0.00 0.00 177.39 175.23 2g0k s GLN 27 N -2.53 4.31 0.13 3.23 1.11 -1.26 -4.73 119.66 119.92 2g0k s GLN 27 Ca 0.00 1.22 -0.31 0.00 0.01 0.00 0.00 55.36 56.29 2g0k s GLN 27 Cb 0.00 -3.59 -0.07 0.00 -1.01 0.00 0.00 33.01 28.34 2g0k s GLN 27 CO 0.00 -0.43 1.28 0.00 0.01 0.00 0.00 175.29 176.15 2g0k s ALA 28 N 2.48 3.49 0.00 6.09 0.00 -1.26 -2.12 121.76 130.44 2g0k s ALA 28 Ca 0.43 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2g0k s ALA 28 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2g0k s ALA 28 CO 0.12 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2g0k n GLY 29 N 2.97 0.45 3.85 0.00 0.00 -1.16 -4.99 105.19 106.31 2g0k n GLY 29 Ca 0.08 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 -2.07 5.17 0.26 2.61 2.01 -0.90 -4.88 115.64 117.84 2g0k s THR 30 Ca 0.00 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.53 2g0k s THR 30 Cb 0.00 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 2g0k s THR 30 CO 0.00 0.56 0.58 0.00 -0.69 0.00 0.00 174.62 175.07 2g0k s ALA 31 N -1.09 3.55 0.05 7.40 0.00 -1.26 -2.00 121.76 128.40 2g0k s ALA 31 Ca 0.22 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2g0k s ALA 31 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2g0k s ALA 31 CO 0.11 0.39 -0.05 0.71 0.00 0.00 0.00 175.76 176.92 2g0k s TYR 32 N -1.94 0.57 -0.25 0.00 2.02 -0.79 -3.94 117.35 113.03 2g0k s TYR 32 Ca 0.47 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 2g0k s TYR 32 Cb -0.11 -0.37 0.05 0.00 -0.40 0.00 0.00 41.96 41.13 2g0k s TYR 32 CO 0.24 -0.20 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.41 2g0k s ASP 33 N -2.19 4.27 0.10 2.29 1.11 14.97 -3.12 116.67 134.10 2g0k s ASP 33 Ca -0.03 -1.18 -0.03 0.00 0.18 0.00 0.00 52.55 51.50 2g0k s ASP 33 Cb -0.02 -1.58 -0.05 0.00 1.07 0.00 0.00 42.92 42.34 2g0k s ASP 33 CO -0.04 -0.16 0.30 -0.69 1.18 0.00 0.00 175.17 175.76 2g0k s VAL 34 N 1.19 5.27 -0.06 -1.27 1.01 -0.65 1.84 120.40 127.74 2g0k s VAL 34 Ca -0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 2g0k s VAL 34 Cb -0.18 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.70 2g0k s VAL 34 CO -0.06 0.11 1.25 -0.83 0.00 0.00 0.00 175.10 175.57 2g0k s GLY 35 N -2.42 -0.37 -0.17 4.51 0.00 2.06 -0.21 107.32 110.72 2g0k s GLY 35 Ca 0.37 0.93 -0.05 0.00 0.00 0.00 0.00 44.72 45.98 2g0k s GLY 35 CO 0.25 0.24 -0.01 1.62 0.00 0.00 0.00 173.10 175.20 2g0k s GLN 36 N -2.47 3.74 0.29 2.90 0.74 -1.23 -1.51 119.66 122.11 2g0k s GLN 36 Ca 0.13 -0.48 0.06 0.00 0.05 0.00 0.00 55.36 55.12 2g0k s GLN 36 Cb 0.03 -3.00 -0.06 0.00 1.10 0.00 0.00 33.01 31.08 2g0k s GLN 36 CO -0.04 0.22 -0.04 0.00 -0.55 0.00 0.00 175.29 174.88 2g0k s ALA 38 N -3.04 -0.10 -0.09 0.00 0.00 0.45 -2.34 121.76 116.64 2g0k s ALA 38 Ca 0.30 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 2g0k s ALA 38 Cb 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 2g0k s ALA 38 CO 0.12 -0.39 1.80 -0.46 0.00 0.00 0.00 175.76 176.83 2g0k s TRP 39 N 1.82 1.72 -0.26 0.00 -0.00 -1.25 -0.16 118.94 120.82 2g0k s TRP 39 Ca -0.01 0.14 -0.02 0.00 -0.00 0.00 0.00 56.10 56.20 2g0k s TRP 39 Cb -0.12 -4.02 -0.16 0.00 -0.00 0.00 0.00 33.47 29.17 2g0k s TRP 39 CO -0.05 -4.13 -0.23 1.33 -0.00 0.00 0.00 176.95 173.86 2g0k n VAL 40 N 5.99 1.51 -4.32 5.86 0.24 0.67 -4.82 118.33 123.46 2g0k n VAL 40 Ca 0.20 -0.52 -0.20 0.00 -2.04 0.00 0.00 64.34 61.77 2g0k n VAL 40 Cb 0.43 -1.55 -0.08 0.00 -1.47 0.00 0.00 33.84 31.18 2g0k n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2g0k n ASP 41 N -3.52 -0.33 -4.61 -1.34 8.00 0.23 -5.01 116.55 109.97 2g0k n ASP 41 Ca -0.47 -3.14 -0.43 0.00 0.71 0.00 0.00 54.79 51.46 2g0k n ASP 41 Cb 0.96 1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 43.56 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2g0k s THR 42 N -3.27 3.22 0.00 -3.53 2.01 -1.26 -0.99 115.64 111.81 2g0k s THR 42 Ca 0.35 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2g0k s THR 42 Cb 0.02 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2g0k s THR 42 CO 0.25 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 2g0k n GLY 43 N 5.43 0.32 3.01 4.40 0.00 -1.26 -4.96 105.19 112.13 2g0k n GLY 43 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.73 1.98 -0.04 1.61 1.01 -0.16 -5.09 120.40 117.97 2g0k s VAL 44 Ca 0.00 -1.71 0.05 0.00 0.00 0.00 0.00 61.98 60.33 2g0k s VAL 44 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2g0k s VAL 44 CO 0.00 -0.22 -0.20 -1.48 0.00 0.00 0.00 175.10 173.19 2g0k s LEU 45 N 1.15 1.99 0.47 3.92 2.34 -1.26 0.76 118.68 128.05 2g0k s LEU 45 Ca -0.02 -0.40 -0.09 0.00 0.06 0.00 0.00 54.13 53.68 2g0k s LEU 45 Cb -0.19 -1.11 -0.05 0.00 -0.56 0.00 0.00 46.19 44.28 2g0k s LEU 45 CO -0.07 0.20 0.83 0.00 -1.06 0.00 0.00 176.35 176.25 2g0k s ALA 46 N -0.15 3.32 0.17 1.48 0.00 0.78 -3.76 121.76 123.60 2g0k s ALA 46 Ca -0.01 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2g0k s ALA 46 Cb -0.11 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2g0k s ALA 46 CO 0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 175.76 175.35 2g0k s ASN 48 N -2.84 3.79 0.00 0.00 2.47 -0.97 0.30 114.94 117.69 2g0k s ASN 48 Ca 0.17 -1.10 0.20 0.00 0.42 0.00 0.00 52.86 52.54 2g0k s ASN 48 Cb -0.04 -1.28 1.16 0.00 -1.45 0.00 0.00 41.25 39.64 2g0k s ASN 48 CO 0.06 -0.19 1.57 -0.81 -3.72 0.00 0.00 177.10 174.02 2g0k n PRO 49 N 4.63 0.58 0.04 0.43 -0.04 -1.26 -2.10 135.00 137.27 2g0k n PRO 49 Ca -0.14 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2g0k n PRO 49 Cb 0.45 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.03 2.99 -1.95 0.55 0.00 -1.26 -3.84 120.51 115.96 2g0k n ALA 50 Ca 0.14 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2g0k n ALA 50 Cb 0.08 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.43 2g0k n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0k n ASP 51 N -1.93 1.31 -4.57 0.00 5.68 -0.89 -5.01 116.55 111.15 2g0k n ASP 51 Ca 0.04 -2.86 -0.39 0.00 -0.50 0.00 0.00 54.79 51.08 2g0k n ASP 51 Cb 0.41 -0.39 -0.10 0.00 -1.14 0.00 0.00 41.12 39.89 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2g0k s PHE 52 N -1.57 3.22 0.46 2.11 -0.12 -1.21 -3.54 117.98 117.34 2g0k s PHE 52 Ca 0.32 0.05 0.04 0.00 -0.05 0.00 0.00 56.93 57.29 2g0k s PHE 52 Cb 0.33 -2.51 0.04 0.00 -0.63 0.00 0.00 43.02 40.25 2g0k s PHE 52 CO -0.09 -0.29 0.30 0.45 -0.05 0.00 0.00 175.22 175.54 2g0k n SER 53 N 5.20 2.60 -3.82 1.98 2.88 0.70 -4.95 113.62 118.22 2g0k n SER 53 Ca -0.11 -2.65 -0.11 0.00 -1.33 0.00 0.00 58.87 54.67 2g0k n SER 53 Cb 0.51 0.02 -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 -3.68 -0.01 -0.01 -3.46 1.04 -1.26 -1.85 113.70 104.47 2g0k s SER 54 Ca 0.22 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 56.02 2g0k s SER 54 Cb -0.02 0.32 0.10 0.00 0.10 0.00 0.00 66.02 66.52 2g0k s SER 54 CO 0.14 -0.60 0.90 0.54 0.98 0.00 0.00 173.24 175.21 2g0k s VAL 55 N -2.71 0.00 -0.07 5.02 0.11 -1.18 -4.97 120.40 116.60 2g0k s VAL 55 Ca -0.04 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2g0k s VAL 55 Cb -0.00 -1.04 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2g0k s VAL 55 CO -0.05 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -3.10 1.30 0.64 5.04 2.01 -1.26 -1.88 115.64 118.39 2g0k s THR 56 Ca 0.05 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 2g0k s THR 56 Cb -0.01 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2g0k s THR 56 CO -0.08 0.39 1.24 0.00 -0.69 0.00 0.00 174.62 175.48 2g0k s ALA 57 N 0.61 2.40 0.51 7.40 0.00 -0.85 -4.83 121.76 127.00 2g0k s ALA 57 Ca -0.15 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 2g0k s ALA 57 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2g0k s ALA 57 CO 0.05 -1.47 0.12 -0.40 0.00 0.00 0.00 175.76 174.05 2g0k n ASP 58 N -1.94 0.13 0.25 0.00 5.68 -0.85 -3.01 116.55 116.81 2g0k n ASP 58 Ca 0.14 -1.12 0.09 0.00 -0.50 0.00 0.00 54.79 53.40 2g0k n ASP 58 Cb 0.49 -0.08 0.64 0.00 -1.14 0.00 0.00 41.12 41.04 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 -0.70 1.77 0.00 2.12 0.00 -1.94 0.16 119.26 120.67 2g0k h ALA 59 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2g0k h ALA 59 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2g0k h ALA 59 CO 0.04 0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.67 2g0k n ASN 60 N -4.29 0.00 -0.00 0.00 5.15 -1.26 -4.85 115.26 110.02 2g0k n ASN 60 Ca -0.03 0.24 -0.00 0.00 -0.60 0.00 0.00 54.58 54.19 2g0k n ASN 60 Cb 0.15 -0.40 -0.00 0.00 -0.53 0.00 0.00 39.78 39.01 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 0.77 0.44 3.79 8.20 0.00 0.57 -4.75 105.19 114.21 2g0k n GLY 61 Ca 0.08 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 6.01 0.34 1.61 1.04 -1.26 -2.53 113.70 116.91 2g0k s SER 62 Ca 0.00 0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.85 2g0k s SER 62 Cb 0.00 -1.92 -0.06 0.00 0.10 0.00 0.00 66.02 64.13 2g0k s SER 62 CO 0.00 0.35 -0.09 0.00 0.98 0.00 0.00 173.24 174.48 2g0k s ALA 63 N -0.67 2.92 -0.16 5.32 0.00 -1.11 -2.01 121.76 126.05 2g0k s ALA 63 Ca 0.12 -2.09 -0.07 0.00 0.00 0.00 0.00 51.96 49.93 2g0k s ALA 63 Cb -0.12 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.04 2g0k s ALA 63 CO 0.02 0.07 0.36 -1.54 0.00 0.00 0.00 175.76 174.67 2g0k s SER 64 N -3.60 -0.24 0.18 0.00 1.04 -1.26 -2.07 113.70 107.75 2g0k s SER 64 Ca 0.32 0.81 -0.16 0.00 0.48 0.00 0.00 55.95 57.41 2g0k s SER 64 Cb 0.03 0.87 0.02 0.00 0.10 0.00 0.00 66.02 67.04 2g0k s SER 64 CO 0.16 -0.21 0.47 -0.89 0.98 0.00 0.00 173.24 173.75 2g0k s THR 65 N 1.93 0.04 -0.13 2.02 2.01 -0.78 -4.93 115.64 115.79 2g0k s THR 65 Ca -0.05 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2g0k s THR 65 Cb -0.10 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.82 2g0k s THR 65 CO -0.11 -0.17 -0.22 -0.44 -0.69 0.00 0.00 174.62 172.99 2g0k s SER 66 N -2.89 3.05 -0.28 3.53 0.01 -1.26 -1.32 113.70 114.55 2g0k s SER 66 Ca 0.10 -0.58 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2g0k s SER 66 Cb 0.00 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 2g0k s SER 66 CO -0.03 0.09 0.13 -0.22 0.41 0.00 0.00 173.24 173.62 2g0k s LEU 67 N 0.72 3.81 -0.16 2.44 1.98 -0.67 -4.87 118.68 121.93 2g0k s LEU 67 Ca -0.10 -0.24 -0.29 0.00 -2.89 0.00 0.00 54.13 50.61 2g0k s LEU 67 Cb -0.16 -2.01 -0.04 0.00 0.66 0.00 0.00 46.19 44.65 2g0k s LEU 67 CO 0.00 -0.09 1.64 0.28 -1.89 0.00 0.00 176.35 176.30 2g0k s THR 68 N 1.66 3.64 -0.08 3.68 -1.32 -1.26 -1.57 115.64 120.39 2g0k s THR 68 Ca 0.06 0.75 -0.30 0.00 -1.21 0.00 0.00 61.69 60.99 2g0k s THR 68 Cb -0.16 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 2g0k s THR 68 CO 0.07 -0.19 1.32 0.54 -2.21 0.00 0.00 174.62 174.14 2g0k s VAL 69 N 4.84 4.06 -0.09 5.08 0.11 -0.96 -4.86 120.40 128.58 2g0k s VAL 69 Ca 0.73 1.36 0.04 0.00 -2.93 0.00 0.00 61.98 61.17 2g0k s VAL 69 Cb -0.28 -3.87 -0.01 0.00 -1.53 0.00 0.00 36.38 30.68 2g0k s VAL 69 CO 0.29 -0.06 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.67 2g0k s ARG 70 N 2.90 2.89 0.15 1.54 3.00 -1.26 -4.14 118.95 124.03 2g0k s ARG 70 Ca 0.59 -0.83 -0.11 0.00 0.00 0.00 0.00 55.73 55.39 2g0k s ARG 70 Cb -0.26 -2.33 -0.00 0.00 0.00 0.00 0.00 34.95 32.35 2g0k s ARG 70 CO 0.21 0.31 1.55 -0.09 0.00 0.00 0.00 175.30 177.28 2g0k h ARG 71 N 6.33 0.94 -3.20 3.54 2.43 -1.90 -3.43 114.38 119.09 2g0k h ARG 71 Ca -0.28 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.46 2g0k h ARG 71 Cb 1.20 -0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 2g0k h ARG 71 CO 0.49 1.05 0.03 -1.12 -1.51 0.00 0.00 179.97 178.91 2g0k s SER 72 N -6.61 -0.36 -0.04 -3.80 0.01 -1.26 0.17 113.70 101.80 2g0k s SER 72 Ca -0.12 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2g0k s SER 72 Cb 0.12 0.51 0.10 0.00 0.21 0.00 0.00 66.02 66.97 2g0k s SER 72 CO 0.86 -0.87 1.31 0.72 0.41 0.00 0.00 173.24 175.67 2g0k s PHE 73 N -3.62 0.01 0.01 2.43 -0.12 -0.94 -4.99 117.98 110.76 2g0k s PHE 73 Ca 0.01 -0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 56.49 2g0k s PHE 73 Cb 0.01 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.87 2g0k s PHE 73 CO -0.11 -0.20 1.71 -1.83 -0.05 0.00 0.00 175.22 174.74 2g0k s GLU 74 N -2.07 4.18 -1.09 1.99 1.03 -1.26 -0.32 118.70 121.16 2g0k s GLU 74 Ca 0.27 2.32 -0.21 0.00 0.03 0.00 0.00 54.97 57.38 2g0k s GLU 74 Cb 0.01 -3.87 0.06 0.00 -0.80 0.00 0.00 34.13 29.53 2g0k s GLU 74 CO -0.02 -0.82 1.51 0.20 -1.33 0.00 0.00 175.26 174.80 2g0k s GLY 75 N 3.20 1.41 -0.70 -3.83 0.00 -0.39 -3.78 107.32 103.23 2g0k s GLY 75 Ca 0.76 -2.48 -0.25 0.00 0.00 0.00 0.00 44.72 42.76 2g0k s GLY 75 CO 0.33 2.66 1.15 -1.36 0.00 0.00 0.00 173.10 175.88 2g0k s PHE 76 N 4.62 2.45 0.44 1.90 0.08 0.87 -0.84 117.98 127.50 2g0k s PHE 76 Ca 0.47 -0.24 -0.24 0.00 0.12 0.00 0.00 56.93 57.04 2g0k s PHE 76 Cb 0.01 -4.49 -0.10 0.00 -0.57 0.00 0.00 43.02 37.87 2g0k s PHE 76 CO -0.05 -1.89 1.08 -0.11 -0.10 0.00 0.00 175.22 174.14 2g0k n LEU 77 N 8.68 3.14 -0.30 -0.37 7.94 -0.41 0.20 117.00 135.89 2g0k n LEU 77 Ca 0.00 1.03 0.12 0.00 -1.11 0.00 0.00 56.01 56.05 2g0k n LEU 77 Cb 0.48 -1.40 0.29 0.00 0.53 0.00 0.00 43.42 43.32 2g0k n LEU 77 CO 0.68 -1.30 1.00 -0.26 -1.11 0.00 0.00 177.39 176.40 2g0k h PHE 78 N 1.56 0.50 0.00 1.96 -1.00 -1.89 1.89 116.94 119.96 2g0k h PHE 78 Ca -0.46 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2g0k h PHE 78 Cb 1.33 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2g0k h PHE 78 CO 0.44 -0.11 0.10 0.22 -1.61 0.00 0.00 178.31 177.34 2g0k h ASP 79 N 0.31 0.00 0.00 2.17 1.82 -1.92 -3.44 116.42 115.36 2g0k h ASP 79 Ca 0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 2g0k h ASP 79 Cb 1.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2g0k h ASP 79 CO -0.57 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.67 2g0k n GLY 80 N -1.22 1.47 3.40 -0.78 0.00 0.64 -5.08 105.19 103.62 2g0k n GLY 80 Ca -0.02 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 3.92 -0.79 2.61 2.01 -1.17 -4.86 115.64 115.36 2g0k s THR 81 Ca 0.00 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 2g0k s THR 81 Cb 0.00 -2.80 -0.11 0.00 0.01 0.00 0.00 72.50 69.60 2g0k s THR 81 CO 0.00 0.39 2.28 0.00 -0.69 0.00 0.00 174.62 176.60 2g0k s ARG 82 N 1.42 1.89 0.04 4.92 1.70 -1.26 -1.28 118.95 126.37 2g0k s ARG 82 Ca 0.05 0.37 -0.31 0.00 -0.47 0.00 0.00 55.73 55.37 2g0k s ARG 82 Cb -0.15 -4.83 -0.18 0.00 -0.57 0.00 0.00 34.95 29.23 2g0k s ARG 82 CO 0.01 -4.06 1.37 2.35 -1.08 0.00 0.00 175.30 173.89 2g0k h TRP 83 N 12.94 -0.90 0.00 5.89 2.91 -1.36 -3.48 115.95 131.95 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 0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2g0k h TRP 83 CO 1.16 -0.53 0.00 0.41 -1.03 0.00 0.00 178.44 178.44 2g0k n GLY 84 N -1.06 3.46 3.51 2.65 0.00 -1.22 -4.98 105.19 107.55 2g0k n GLY 84 Ca -0.13 -0.87 -0.48 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.14 0.25 -3.05 2.61 -1.04 -1.26 -1.26 114.28 109.40 2g0k n THR 85 Ca 0.00 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.05 61.37 2g0k n THR 85 Cb 0.00 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.47 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 7.69 4.87 -0.45 12.58 1.01 0.56 -4.85 120.40 141.81 2g0k s VAL 86 Ca 1.06 0.42 0.03 0.00 0.00 0.00 0.00 61.98 63.49 2g0k s VAL 86 Cb -0.65 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.12 2g0k s VAL 86 CO 0.44 -0.43 0.19 -1.81 0.00 0.00 0.00 175.10 173.49 2g0k s ASP 87 N -3.13 4.63 0.55 3.32 1.01 -1.26 -2.22 116.67 119.58 2g0k s ASP 87 Ca 0.49 -2.61 0.30 0.00 0.71 0.00 0.00 52.55 51.43 2g0k s ASP 87 Cb -0.10 -1.67 1.46 0.00 1.01 0.00 0.00 42.92 43.62 2g0k s ASP 87 CO 0.30 -0.32 1.91 0.00 0.21 0.00 0.00 175.17 177.27 2g0k n THR 89 N -4.12 0.05 -0.02 0.00 5.66 -1.19 -2.90 114.28 111.76 2g0k n THR 89 Ca 0.14 0.01 -0.01 0.00 -3.05 0.00 0.00 64.05 61.14 2g0k n THR 89 Cb 0.82 -0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 68.95 2g0k n THR 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2g0k n THR 90 N -1.06 0.24 -3.62 1.09 -1.04 0.55 -4.81 114.28 105.63 2g0k n THR 90 Ca 0.18 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2g0k n THR 90 Cb 0.11 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 -2.04 0.00 -2.79 2.41 0.00 -0.46 -5.06 120.51 112.58 2g0k n ALA 91 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 2g0k n ALA 91 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.00 3.42 0.18 0.00 0.00 -1.26 -4.05 121.76 118.05 2g0k s ALA 92 Ca 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.03 2g0k s ALA 92 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2g0k s ALA 92 CO 0.00 -0.29 0.19 0.00 0.00 0.00 0.00 175.76 175.66 2g0k s GLN 94 N -3.33 0.67 0.27 0.00 -0.21 -0.99 -0.64 119.66 115.43 2g0k s GLN 94 Ca 0.32 -0.66 0.10 0.00 0.02 0.00 0.00 55.36 55.15 2g0k s GLN 94 Cb -0.10 0.28 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 2g0k s GLN 94 CO 0.25 -0.19 -0.17 0.08 -2.12 0.00 0.00 175.29 173.14 2g0k s VAL 95 N -2.59 2.21 0.00 1.09 1.01 -1.18 -1.20 120.40 119.73 2g0k s VAL 95 Ca -0.05 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.61 2g0k s VAL 95 Cb -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2g0k s VAL 95 CO -0.04 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.24 2g0k n GLY 96 N -0.57 0.09 3.00 4.51 0.00 -0.57 -3.27 105.19 108.37 2g0k n GLY 96 Ca -0.06 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 2g0k n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2g0k s LEU 97 N 0.00 1.53 0.12 0.99 2.34 0.15 0.53 118.68 124.34 2g0k s LEU 97 Ca 0.00 -0.35 0.01 0.00 0.06 0.00 0.00 54.13 53.85 2g0k s LEU 97 Cb 0.00 -0.93 -0.04 0.00 -0.56 0.00 0.00 46.19 44.66 2g0k s LEU 97 CO 0.00 -0.03 0.27 -0.94 -1.06 0.00 0.00 176.35 174.59 2g0k s SER 98 N 1.15 6.36 0.00 1.48 1.04 25.37 -2.31 113.70 146.79 2g0k s SER 98 Ca -0.05 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2g0k s SER 98 Cb -0.14 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2g0k s SER 98 CO -0.03 0.09 0.00 -0.90 0.98 0.00 0.00 173.24 173.38 2g0k n ASP 99 N -0.18 1.51 -0.01 7.02 5.75 -1.02 1.46 116.55 131.08 2g0k n ASP 99 Ca -0.06 -0.42 -0.12 0.00 -0.01 0.00 0.00 54.79 54.18 2g0k n ASP 99 Cb 0.53 0.00 -0.06 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 0.67 0.12 0.00 2.12 0.00 -1.93 -2.43 119.26 117.82 2g0k h ALA 100 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 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 -0.31 -0.26 0.00 0.00 0.00 0.00 179.25 178.68 2g0k h ALA 101 N 0.89 1.06 -0.52 0.00 0.00 -1.96 -3.47 119.26 115.25 2g0k h ALA 101 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2g0k h ALA 101 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2g0k h ALA 101 CO -0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2g0k n GLY 102 N 0.05 0.65 3.46 0.00 0.00 -0.91 -5.13 105.19 103.31 2g0k n GLY 102 Ca -0.00 -0.34 -0.23 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 -1.74 2.42 0.00 1.61 6.03 -1.26 -4.79 114.94 117.22 2g0k s ASN 103 Ca 0.00 -1.60 0.00 0.00 -1.03 0.00 0.00 52.86 50.23 2g0k s ASN 103 Cb 0.00 0.38 0.00 0.00 -3.03 0.00 0.00 41.25 38.60 2g0k s ASN 103 CO 0.00 -0.87 0.00 0.61 -2.03 0.00 0.00 177.10 174.81 2g0k n GLY 104 N -0.80 -1.21 3.79 0.45 0.00 -1.25 -2.42 105.19 103.75 2g0k n GLY 104 Ca -0.04 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.82 2.83 -0.24 1.61 0.04 -1.26 -4.20 135.00 132.95 2g0k s PRO 105 Ca 0.00 1.17 -0.39 0.00 0.04 0.00 0.00 61.00 61.81 2g0k s PRO 105 Cb 0.00 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 2g0k s PRO 105 CO 0.00 -1.20 1.22 -0.85 0.04 0.00 0.00 177.00 176.21 2g0k n GLU 106 N -2.80 0.00 -1.16 4.56 -0.00 -0.93 -4.64 120.64 115.67 2g0k n GLU 106 Ca 0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.85 2g0k n GLU 106 Cb 0.53 -1.35 -0.02 0.00 -0.00 0.00 0.00 31.44 30.59 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2g0k n GLY 107 N 2.54 -1.47 3.48 -1.84 0.00 -1.26 -4.88 105.19 101.75 2g0k n GLY 107 Ca 0.23 0.28 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 2g0k n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0k s VAL 108 N -0.84 5.05 -0.14 1.61 1.01 -1.20 -5.06 120.40 120.82 2g0k s VAL 108 Ca 0.53 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 2g0k s VAL 108 Cb -0.77 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2g0k s VAL 108 CO 0.47 -0.07 0.69 0.00 0.00 0.00 0.00 175.10 176.20 2g0k s ALA 109 N 1.67 3.46 0.11 5.51 0.00 -1.26 -3.12 121.76 128.13 2g0k s ALA 109 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.98 2g0k s ALA 109 Cb -0.18 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2g0k s ALA 109 CO 0.09 -0.39 0.06 0.44 0.00 0.00 0.00 175.76 175.96 2g0k n ILE 110 N 4.34 0.00 -3.93 0.00 -5.35 0.19 -4.98 119.36 109.62 2g0k n ILE 110 Ca -0.00 -0.74 0.02 0.00 -0.27 0.00 0.00 62.75 61.76 2g0k n ILE 110 Cb 0.50 0.31 0.01 0.00 -1.74 0.00 0.00 39.64 38.73 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2g0k s SER 111 N -1.74 -0.00 -0.18 7.28 0.15 -1.20 -3.29 113.70 114.72 2g0k s SER 111 Ca 0.09 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2g0k s SER 111 Cb 0.00 0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.56 2g0k s SER 111 CO 0.06 -0.36 0.11 -0.36 1.20 0.00 0.00 173.24 173.90 2g0k s PHE 112 N -2.09 0.13 0.00 3.44 0.40 -1.21 -3.35 117.98 115.31 2g0k s PHE 112 Ca 0.27 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 2g0k s PHE 112 Cb -0.00 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.87 2g0k s PHE 112 CO -0.01 -0.54 0.00 0.27 0.70 0.00 0.00 175.22 175.64