#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 0.06 1.10 0.00 0.00 -1.26 -4.33 121.76 117.33 2g0k s ALA 2 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 2g0k s ALA 2 Cb 0.00 -0.62 0.15 0.00 0.00 0.00 0.00 23.12 22.66 2g0k s ALA 2 CO 0.00 -0.44 0.62 -0.35 0.00 0.00 0.00 175.76 175.59 2g0k n PRO 3 N 5.08 -1.80 -3.29 0.00 -0.04 -1.26 -3.74 135.00 129.94 2g0k n PRO 3 Ca -0.09 -0.98 -0.43 0.00 -0.04 0.00 0.00 63.50 61.96 2g0k n PRO 3 Cb 0.50 -0.85 -0.08 0.00 -0.04 0.00 0.00 33.50 33.03 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 -2.19 5.06 0.05 0.52 2.01 0.18 -2.62 115.64 118.65 2g0k s THR 4 Ca 0.39 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.08 2g0k s THR 4 Cb -0.03 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2g0k s THR 4 CO 0.29 -0.48 -0.16 0.00 -0.69 0.00 0.00 174.62 173.58 2g0k s ALA 5 N 2.20 1.38 -0.29 7.40 0.00 -1.20 0.94 121.76 132.20 2g0k s ALA 5 Ca 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 2g0k s ALA 5 Cb -0.17 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2g0k s ALA 5 CO 0.13 0.28 0.05 0.95 0.00 0.00 0.00 175.76 177.17 2g0k s THR 6 N -0.88 3.67 0.13 0.00 -4.23 0.70 -4.78 115.64 110.26 2g0k s THR 6 Ca 0.03 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.78 2g0k s THR 6 Cb -0.08 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 2g0k s THR 6 CO 0.02 0.08 -0.00 0.68 -0.54 0.00 0.00 174.62 174.85 2g0k s VAL 7 N 1.44 3.83 0.77 2.29 -7.23 -1.23 -0.87 120.40 119.40 2g0k s VAL 7 Ca 0.01 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2g0k s VAL 7 Cb -0.17 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 33.94 2g0k s VAL 7 CO 0.01 0.00 1.09 0.28 -0.31 0.00 0.00 175.10 176.17 2g0k s THR 8 N -1.51 3.27 -0.17 5.32 -1.32 0.26 -4.85 115.64 116.63 2g0k s THR 8 Ca 0.26 0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 60.86 2g0k s THR 8 Cb -0.10 -3.18 -0.02 0.00 -1.51 0.00 0.00 72.50 67.68 2g0k s THR 8 CO 0.18 -0.54 1.43 -2.16 -2.21 0.00 0.00 174.62 171.32 2g0k s PRO 9 N -5.16 4.08 -0.03 7.08 0.04 -1.26 -4.54 135.00 135.21 2g0k s PRO 9 Ca 0.60 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.40 2g0k s PRO 9 Cb -0.14 -3.89 0.07 0.00 0.04 0.00 0.00 34.50 30.58 2g0k s PRO 9 CO 0.54 -0.92 0.91 0.45 0.04 0.00 0.00 177.00 178.02 2g0k n SER 10 N 7.26 1.23 -4.48 6.66 2.88 -1.26 -4.94 113.62 120.97 2g0k n SER 10 Ca 0.16 -2.02 -0.43 0.00 -1.33 0.00 0.00 58.87 55.24 2g0k n SER 10 Cb 0.45 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.21 6.22 0.00 -3.46 1.04 -1.09 -3.96 113.70 111.23 2g0k s SER 11 Ca 0.08 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2g0k s SER 11 Cb 0.07 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2g0k s SER 11 CO 0.01 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2g0k n GLY 12 N 5.11 1.34 3.64 7.32 0.00 -1.01 -4.08 105.19 117.51 2g0k n GLY 12 Ca -0.06 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 3.41 0.67 0.99 1.43 -1.25 -4.44 118.68 119.48 2g0k s LEU 13 Ca 0.00 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 2g0k s LEU 13 Cb 0.00 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2g0k s LEU 13 CO 0.00 0.35 1.09 -0.55 0.23 0.00 0.00 176.35 177.47 2g0k s SER 14 N -0.99 5.20 0.64 2.29 0.15 -1.26 -4.89 113.70 114.84 2g0k s SER 14 Ca 0.14 1.88 -0.17 0.00 0.70 0.00 0.00 55.95 58.50 2g0k s SER 14 Cb -0.11 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 2g0k s SER 14 CO 0.03 -1.56 0.33 -0.90 1.20 0.00 0.00 173.24 172.35 2g0k n ASP 15 N -2.58 -1.85 0.00 5.45 5.68 -1.26 -2.05 116.55 119.93 2g0k n ASP 15 Ca 0.09 0.64 0.00 0.00 -0.50 0.00 0.00 54.79 55.02 2g0k n ASP 15 Cb 0.53 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 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 1.96 2.50 3.77 6.12 0.00 -1.23 -5.02 105.19 113.28 2g0k n GLY 16 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.26 2.26 -0.00 2.61 2.01 -0.87 -4.93 115.64 114.44 2g0k s THR 17 Ca 0.00 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 2g0k s THR 17 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2g0k s THR 17 CO 0.00 0.05 0.19 0.54 -0.69 0.00 0.00 174.62 174.72 2g0k s VAL 18 N -0.80 5.42 0.18 3.82 0.11 -1.26 -3.06 120.40 124.81 2g0k s VAL 18 Ca 0.55 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.55 2g0k s VAL 18 Cb -0.45 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2g0k s VAL 18 CO 0.56 0.32 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.79 2g0k s VAL 19 N -1.33 1.81 0.13 2.04 1.01 0.32 -4.91 120.40 119.47 2g0k s VAL 19 Ca 0.28 -2.01 0.10 0.00 0.00 0.00 0.00 61.98 60.35 2g0k s VAL 19 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2g0k s VAL 19 CO 0.19 -0.39 -0.24 -0.75 0.00 0.00 0.00 175.10 173.90 2g0k s LYS 20 N -3.04 1.53 -0.25 2.72 2.36 -1.26 -1.31 119.74 120.49 2g0k s LYS 20 Ca 0.18 -1.30 -0.02 0.00 -2.55 0.00 0.00 55.97 52.27 2g0k s LYS 20 Cb -0.04 -1.97 0.12 0.00 -1.05 0.00 0.00 37.83 34.89 2g0k s LYS 20 CO 0.07 0.46 0.27 0.08 1.55 0.00 0.00 175.35 177.78 2g0k s VAL 21 N -1.12 -0.39 -0.24 4.02 1.01 -0.93 -0.57 120.40 122.18 2g0k s VAL 21 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2g0k s VAL 21 Cb -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.46 2g0k s VAL 21 CO 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 175.10 174.80 2g0k s ALA 22 N 2.37 2.73 0.24 5.51 0.00 -0.05 -2.64 121.76 129.91 2g0k s ALA 22 Ca 0.09 -1.35 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 2g0k s ALA 22 Cb -0.15 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 2g0k s ALA 22 CO -0.22 -0.66 0.80 0.20 0.00 0.00 0.00 175.76 175.88 2g0k s GLY 23 N 1.38 2.74 -0.21 0.00 0.00 -1.08 0.25 107.32 110.40 2g0k s GLY 23 Ca 0.03 0.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 2g0k s GLY 23 CO -0.04 0.73 0.10 0.00 0.00 0.00 0.00 173.10 173.89 2g0k s ALA 24 N -1.47 0.54 0.00 3.20 0.00 5.84 -3.03 121.76 126.85 2g0k s ALA 24 Ca 0.43 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2g0k s ALA 24 Cb -0.19 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2g0k s ALA 24 CO 0.23 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.07 2g0k n GLY 25 N 5.25 1.43 0.00 0.00 0.00 -1.26 0.52 105.19 111.12 2g0k n GLY 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.68 0.99 4.77 -1.13 -4.72 117.00 112.23 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 -0.35 0.52 -1.10 -1.33 0.00 0.00 177.39 175.13 2g0k s GLN 27 N -1.42 4.33 0.17 3.23 -0.21 -1.26 -4.75 119.66 119.75 2g0k s GLN 27 Ca 0.00 0.93 -0.30 0.00 0.02 0.00 0.00 55.36 56.01 2g0k s GLN 27 Cb 0.00 -3.54 -0.08 0.00 1.00 0.00 0.00 33.01 30.40 2g0k s GLN 27 CO 0.00 -0.20 1.19 0.00 -2.12 0.00 0.00 175.29 174.16 2g0k s ALA 28 N 1.70 3.42 0.00 6.09 0.00 -1.26 -2.41 121.76 129.31 2g0k s ALA 28 Ca 0.37 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2g0k s ALA 28 Cb -0.17 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2g0k s ALA 28 CO 0.14 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2g0k n GLY 29 N 2.33 0.45 3.85 0.00 0.00 -1.15 -4.96 105.19 105.72 2g0k n GLY 29 Ca 0.05 0.00 -0.37 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 -2.05 5.25 0.25 2.61 2.01 -1.01 -4.86 115.64 117.83 2g0k s THR 30 Ca 0.00 0.56 -0.09 0.00 0.31 0.00 0.00 61.69 62.47 2g0k s THR 30 Cb 0.00 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 2g0k s THR 30 CO 0.00 0.59 0.57 0.00 -0.69 0.00 0.00 174.62 175.08 2g0k s ALA 31 N -0.97 3.55 0.03 7.40 0.00 -1.26 -1.96 121.76 128.54 2g0k s ALA 31 Ca 0.20 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.87 2g0k s ALA 31 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 2g0k s ALA 31 CO 0.09 0.44 -0.06 0.71 0.00 0.00 0.00 175.76 176.93 2g0k s TYR 32 N -1.89 0.51 -0.30 0.00 2.02 -0.88 -4.02 117.35 112.79 2g0k s TYR 32 Ca 0.47 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2g0k s TYR 32 Cb -0.11 -0.32 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 2g0k s TYR 32 CO 0.23 -0.08 0.05 -0.51 -1.57 0.00 0.00 175.55 173.66 2g0k s ASP 33 N -1.16 4.98 0.09 2.29 1.01 0.90 -3.16 116.67 121.62 2g0k s ASP 33 Ca -0.08 -0.94 0.02 0.00 0.71 0.00 0.00 52.55 52.26 2g0k s ASP 33 Cb -0.08 -1.81 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 2g0k s ASP 33 CO 0.00 -0.23 0.17 -0.69 0.21 0.00 0.00 175.17 174.63 2g0k s VAL 34 N 1.40 5.03 -0.06 -1.27 1.01 0.99 0.65 120.40 128.15 2g0k s VAL 34 Ca -0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 2g0k s VAL 34 Cb -0.18 -3.47 0.11 0.00 0.00 0.00 0.00 36.38 32.84 2g0k s VAL 34 CO 0.01 0.09 1.34 -0.83 0.00 0.00 0.00 175.10 175.71 2g0k s GLY 35 N -2.61 -0.26 -0.18 4.51 0.00 0.86 -0.51 107.32 109.12 2g0k s GLY 35 Ca 0.33 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.38 2g0k s GLY 35 CO 0.26 4.35 -0.15 1.62 0.00 0.00 0.00 173.10 179.17 2g0k s GLN 36 N -2.07 3.14 0.05 2.90 0.74 -1.25 -1.67 119.66 121.50 2g0k s GLN 36 Ca 0.26 -0.76 0.09 0.00 0.05 0.00 0.00 55.36 55.00 2g0k s GLN 36 Cb 0.02 -2.68 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 2g0k s GLN 36 CO -0.03 -0.14 -0.26 0.00 -0.55 0.00 0.00 175.29 174.31 2g0k s ALA 38 N -0.82 1.87 0.05 0.00 0.00 0.76 -2.90 121.76 120.72 2g0k s ALA 38 Ca 0.12 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 2g0k s ALA 38 Cb -0.10 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.52 2g0k s ALA 38 CO 0.02 0.44 1.66 -0.46 0.00 0.00 0.00 175.76 177.42 2g0k s TRP 39 N -0.66 2.34 -0.17 0.00 -0.00 -1.26 -0.26 118.94 118.93 2g0k s TRP 39 Ca 0.09 0.29 0.03 0.00 -0.00 0.00 0.00 56.10 56.51 2g0k s TRP 39 Cb -0.09 -3.96 -0.12 0.00 -0.00 0.00 0.00 33.47 29.30 2g0k s TRP 39 CO 0.00 -3.89 -0.12 1.33 -0.00 0.00 0.00 176.95 174.28 2g0k n VAL 40 N 4.84 0.98 -4.34 5.86 0.24 -0.41 -4.85 118.33 120.66 2g0k n VAL 40 Ca 0.16 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.34 61.86 2g0k n VAL 40 Cb 0.41 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2g0k n ASP 41 N -2.92 0.26 -4.61 -1.34 -0.08 0.93 -5.02 116.55 103.75 2g0k n ASP 41 Ca -0.29 -2.89 -0.43 0.00 -1.51 0.00 0.00 54.79 49.67 2g0k n ASP 41 Cb 0.84 1.18 -0.02 0.00 2.34 0.00 0.00 41.12 45.46 2g0k n ASP 41 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2g0k s THR 42 N -3.03 3.71 -0.01 5.18 2.01 -1.26 -2.06 115.64 120.18 2g0k s THR 42 Ca 0.27 0.76 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2g0k s THR 42 Cb 0.01 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2g0k s THR 42 CO 0.19 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 2g0k n GLY 43 N 4.99 0.36 2.92 4.40 0.00 -1.26 -4.99 105.19 111.61 2g0k n GLY 43 Ca 0.19 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.72 0.89 0.06 1.61 -7.23 -0.87 -5.11 120.40 108.02 2g0k s VAL 44 Ca 0.00 -0.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.97 2g0k s VAL 44 Cb 0.00 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 2g0k s VAL 44 CO 0.00 0.32 -0.17 -1.48 -0.31 0.00 0.00 175.10 173.46 2g0k s LEU 45 N 1.27 2.21 0.08 1.32 2.34 -1.26 -0.05 118.68 124.59 2g0k s LEU 45 Ca -0.04 -0.54 0.02 0.00 0.06 0.00 0.00 54.13 53.62 2g0k s LEU 45 Cb -0.14 -0.74 -0.04 0.00 -0.56 0.00 0.00 46.19 44.71 2g0k s LEU 45 CO -0.03 0.05 0.17 0.00 -1.06 0.00 0.00 176.35 175.48 2g0k s ALA 46 N -0.97 3.83 0.26 1.48 0.00 0.63 -3.90 121.76 123.09 2g0k s ALA 46 Ca 0.03 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.13 2g0k s ALA 46 Cb -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2g0k s ALA 46 CO 0.02 0.76 0.19 0.00 0.00 0.00 0.00 175.76 176.73 2g0k s ASN 48 N -3.84 4.51 0.00 0.00 2.47 -0.76 0.33 114.94 117.65 2g0k s ASN 48 Ca 0.33 -1.38 0.20 0.00 0.42 0.00 0.00 52.86 52.43 2g0k s ASN 48 Cb -0.08 -1.57 1.18 0.00 -1.45 0.00 0.00 41.25 39.33 2g0k s ASN 48 CO 0.25 -0.20 1.57 -0.81 -3.72 0.00 0.00 177.10 174.18 2g0k n PRO 49 N 4.46 0.62 0.03 0.43 -0.04 -1.26 -2.06 135.00 137.18 2g0k n PRO 49 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2g0k n PRO 49 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 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 3.18 -2.15 0.55 0.00 -1.26 -3.99 120.51 115.84 2g0k n ALA 50 Ca 0.15 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.33 2g0k n ALA 50 Cb 0.07 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.87 1.06 -4.55 0.00 8.00 -0.87 -5.04 116.55 113.27 2g0k n ASP 51 Ca 0.04 -2.45 -0.41 0.00 0.71 0.00 0.00 54.79 52.68 2g0k n ASP 51 Cb 0.40 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.83 3.20 0.55 1.24 -0.12 -1.16 -3.83 117.98 117.04 2g0k s PHE 52 Ca 0.29 0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.25 2g0k s PHE 52 Cb 0.31 -2.72 0.05 0.00 -0.63 0.00 0.00 43.02 40.03 2g0k s PHE 52 CO -0.11 -0.46 0.53 0.45 -0.05 0.00 0.00 175.22 175.58 2g0k s SER 53 N 1.74 4.80 0.05 1.98 0.15 0.33 -4.95 113.70 117.80 2g0k s SER 53 Ca 0.13 -1.10 -0.10 0.00 0.70 0.00 0.00 55.95 55.58 2g0k s SER 53 Cb -0.16 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2g0k s SER 53 CO 0.12 -1.17 0.21 -0.94 1.20 0.00 0.00 173.24 172.65 2g0k s SER 54 N -4.40 0.04 0.02 5.45 1.04 -1.26 -2.03 113.70 112.56 2g0k s SER 54 Ca 0.43 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 56.15 2g0k s SER 54 Cb -0.03 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.49 2g0k s SER 54 CO 0.27 -0.61 0.91 0.54 0.98 0.00 0.00 173.24 175.33 2g0k s VAL 55 N -2.94 0.00 -0.06 5.02 0.11 -1.19 -4.99 120.40 116.36 2g0k s VAL 55 Ca -0.02 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2g0k s VAL 55 Cb 0.01 -1.19 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2g0k s VAL 55 CO -0.06 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.69 2g0k s THR 56 N -3.13 1.19 0.65 5.04 2.01 -1.26 -2.07 115.64 118.06 2g0k s THR 56 Ca 0.06 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 2g0k s THR 56 Cb -0.01 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2g0k s THR 56 CO -0.07 0.36 1.18 0.00 -0.69 0.00 0.00 174.62 175.40 2g0k s ALA 57 N 0.46 2.40 0.46 7.40 0.00 -0.83 -4.81 121.76 126.84 2g0k s ALA 57 Ca -0.11 0.85 -0.00 0.00 0.00 0.00 0.00 51.96 52.70 2g0k s ALA 57 Cb -0.14 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2g0k s ALA 57 CO 0.03 -1.39 0.08 -0.40 0.00 0.00 0.00 175.76 174.09 2g0k n ASP 58 N -2.11 0.10 0.27 0.00 5.68 -0.73 -2.92 116.55 116.85 2g0k n ASP 58 Ca 0.13 -1.09 0.12 0.00 -0.50 0.00 0.00 54.79 53.45 2g0k n ASP 58 Cb 0.50 -0.06 0.76 0.00 -1.14 0.00 0.00 41.12 41.19 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 -0.58 1.49 0.00 2.12 0.00 -1.94 0.13 119.26 120.49 2g0k h ALA 59 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2g0k h ALA 59 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g0k h ALA 59 CO 0.03 0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.66 2g0k n ASN 60 N -3.89 0.00 0.00 0.00 5.15 -1.26 -4.84 115.26 110.42 2g0k n ASN 60 Ca -0.02 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2g0k n ASN 60 Cb 0.17 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 0.83 0.40 3.83 8.20 0.00 0.46 -4.80 105.19 114.12 2g0k n GLY 61 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.04 6.12 0.32 1.61 1.04 -1.26 -2.84 113.70 116.64 2g0k s SER 62 Ca 0.00 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.91 2g0k s SER 62 Cb 0.00 -1.93 -0.06 0.00 0.10 0.00 0.00 66.02 64.13 2g0k s SER 62 CO 0.00 0.40 -0.10 0.00 0.98 0.00 0.00 173.24 174.52 2g0k s ALA 63 N -1.00 2.77 -0.17 5.32 0.00 -1.17 -1.77 121.76 125.73 2g0k s ALA 63 Ca 0.15 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.03 2g0k s ALA 63 Cb -0.12 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.05 2g0k s ALA 63 CO 0.04 0.07 0.37 -1.54 0.00 0.00 0.00 175.76 174.70 2g0k s SER 64 N -3.55 -0.13 0.27 0.00 1.04 -1.26 -2.63 113.70 107.44 2g0k s SER 64 Ca 0.31 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 2g0k s SER 64 Cb 0.02 1.05 -0.00 0.00 0.10 0.00 0.00 66.02 67.18 2g0k s SER 64 CO 0.15 -0.23 0.46 0.28 0.98 0.00 0.00 173.24 174.89 2g0k s THR 65 N 2.33 0.00 -0.12 2.02 -1.32 -1.08 -4.92 115.64 112.55 2g0k s THR 65 Ca -0.02 -1.48 -0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2g0k s THR 65 Cb -0.11 -2.35 0.02 0.00 -1.51 0.00 0.00 72.50 68.55 2g0k s THR 65 CO -0.11 0.00 -0.09 -0.44 -2.21 0.00 0.00 174.62 171.76 2g0k s SER 66 N -3.08 2.30 -0.14 8.08 0.01 -1.26 -2.19 113.70 117.41 2g0k s SER 66 Ca 0.25 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 2g0k s SER 66 Cb -0.00 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 2g0k s SER 66 CO 0.12 -0.10 0.03 -0.22 0.41 0.00 0.00 173.24 173.47 2g0k s LEU 67 N 1.63 3.65 0.09 2.44 1.98 -0.43 -4.85 118.68 123.20 2g0k s LEU 67 Ca 0.05 0.08 -0.03 0.00 -2.89 0.00 0.00 54.13 51.33 2g0k s LEU 67 Cb -0.13 -1.89 -0.05 0.00 0.66 0.00 0.00 46.19 44.79 2g0k s LEU 67 CO -0.09 0.25 0.29 0.28 -1.89 0.00 0.00 176.35 175.19 2g0k s THR 68 N -0.08 5.28 -0.11 3.68 -1.32 -1.26 -0.52 115.64 121.30 2g0k s THR 68 Ca 0.05 -0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 2g0k s THR 68 Cb -0.12 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 2g0k s THR 68 CO 0.02 0.13 -0.14 0.54 -2.21 0.00 0.00 174.62 172.95 2g0k s VAL 69 N -1.54 2.95 0.25 5.08 0.11 -1.17 -4.71 120.40 121.37 2g0k s VAL 69 Ca 0.36 -0.71 0.10 0.00 -2.93 0.00 0.00 61.98 58.81 2g0k s VAL 69 Cb -0.13 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 2g0k s VAL 69 CO 0.25 0.54 -0.06 -0.13 -3.33 0.00 0.00 175.10 172.37 2g0k s ARG 70 N 0.19 2.14 0.33 1.54 3.00 -1.26 -3.58 118.95 121.31 2g0k s ARG 70 Ca -0.08 -1.46 0.18 0.00 0.00 0.00 0.00 55.73 54.37 2g0k s ARG 70 Cb -0.15 -2.09 0.15 0.00 0.00 0.00 0.00 34.95 32.86 2g0k s ARG 70 CO 0.05 0.37 1.48 0.07 0.00 0.00 0.00 175.30 177.28 2g0k h ARG 71 N 2.13 0.00 -2.61 3.54 -0.00 -1.94 -3.41 114.38 112.10 2g0k h ARG 71 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.52 2g0k h ARG 71 Cb 1.24 0.00 -0.15 0.00 -0.00 0.00 0.00 29.97 31.07 2g0k h ARG 71 CO 0.59 0.33 0.23 -1.54 -0.00 0.00 0.00 179.97 179.58 2g0k s SER 72 N -6.35 -0.58 -0.26 0.08 1.04 -1.26 0.11 113.70 106.48 2g0k s SER 72 Ca 0.05 0.23 -0.37 0.00 0.48 0.00 0.00 55.95 56.34 2g0k s SER 72 Cb 0.07 0.56 0.16 0.00 0.10 0.00 0.00 66.02 66.90 2g0k s SER 72 CO 0.72 -0.82 1.33 0.72 0.98 0.00 0.00 173.24 176.17 2g0k s PHE 73 N -2.86 -0.05 -0.24 5.02 -0.12 -0.93 -4.94 117.98 113.86 2g0k s PHE 73 Ca -0.02 0.04 -0.28 0.00 -0.05 0.00 0.00 56.93 56.62 2g0k s PHE 73 Cb -0.01 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 2g0k s PHE 73 CO -0.05 -0.08 2.21 -1.83 -0.05 0.00 0.00 175.22 175.42 2g0k s GLU 74 N -2.03 3.07 -0.58 1.99 -1.05 -1.26 -0.02 118.70 118.81 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 -0.01 -4.38 -0.05 0.00 -0.44 0.00 0.00 34.13 29.25 2g0k s GLU 74 CO -0.04 -2.17 2.18 0.20 0.95 0.00 0.00 175.26 176.38 2g0k s GLY 75 N 8.44 -0.20 -0.73 -3.83 0.00 0.32 -4.19 107.32 107.12 2g0k s GLY 75 Ca 0.99 -0.37 -0.24 0.00 0.00 0.00 0.00 44.72 45.10 2g0k s GLY 75 CO 0.34 3.85 1.14 -0.12 0.00 0.00 0.00 173.10 178.31 2g0k s PHE 76 N 11.13 2.52 0.20 1.90 5.36 1.00 0.13 117.98 140.22 2g0k s PHE 76 Ca 0.84 -0.41 -0.33 0.00 -0.96 0.00 0.00 56.93 56.08 2g0k s PHE 76 Cb -0.14 -4.46 -0.14 0.00 -0.34 0.00 0.00 43.02 37.94 2g0k s PHE 76 CO 0.21 -1.84 1.48 -0.11 -1.46 0.00 0.00 175.22 173.50 2g0k n LEU 77 N 8.42 3.02 -0.35 6.12 7.94 0.12 0.18 117.00 142.45 2g0k n LEU 77 Ca 0.03 1.12 0.25 0.00 -1.11 0.00 0.00 56.01 56.30 2g0k n LEU 77 Cb 0.47 -1.41 0.52 0.00 0.53 0.00 0.00 43.42 43.53 2g0k n LEU 77 CO 0.66 -0.43 1.20 -0.26 -1.11 0.00 0.00 177.39 177.45 2g0k h PHE 78 N 4.96 0.71 0.00 1.96 -1.00 -1.87 1.80 116.94 123.51 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.36 2g0k h PHE 78 Cb 1.27 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.63 2g0k h PHE 78 CO 0.59 -0.02 0.10 0.22 -1.61 0.00 0.00 178.31 177.59 2g0k h ASP 79 N 0.35 0.00 0.00 2.17 1.82 -1.92 -3.44 116.42 115.39 2g0k h ASP 79 Ca 0.66 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.30 2g0k h ASP 79 Cb 1.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2g0k h ASP 79 CO -0.38 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.86 2g0k n GLY 80 N -1.23 1.58 3.48 -0.78 0.00 0.61 -5.10 105.19 103.74 2g0k n GLY 80 Ca -0.02 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 2.72 -0.74 2.61 2.01 -1.08 -4.93 115.64 114.23 2g0k s THR 81 Ca 0.00 -1.72 -0.26 0.00 0.31 0.00 0.00 61.69 60.02 2g0k s THR 81 Cb 0.00 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.26 2g0k s THR 81 CO 0.00 -0.01 1.25 -0.13 -0.69 0.00 0.00 174.62 175.04 2g0k s ARG 82 N -2.44 3.20 -0.01 4.92 0.52 -1.26 0.15 118.95 124.02 2g0k s ARG 82 Ca 0.20 -0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 54.81 2g0k s ARG 82 Cb -0.09 -4.24 -0.19 0.00 0.52 0.00 0.00 34.95 30.95 2g0k s ARG 82 CO 0.11 -2.11 1.30 2.35 0.02 0.00 0.00 175.30 176.96 2g0k h TRP 83 N 9.96 -0.03 0.00 -0.53 2.91 -0.68 -3.48 115.95 124.10 2g0k h TRP 83 Ca -0.26 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.76 2g0k h TRP 83 Cb 1.05 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2g0k h TRP 83 CO 1.12 0.39 0.00 0.41 -1.03 0.00 0.00 178.44 179.33 2g0k n GLY 84 N 0.08 3.94 3.55 2.65 0.00 -1.17 -4.92 105.19 109.32 2g0k n GLY 84 Ca -0.08 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.97 0.10 -3.14 2.61 -1.04 -1.26 0.12 114.28 109.69 2g0k n THR 85 Ca 0.00 -0.58 -0.33 0.00 -2.04 0.00 0.00 64.05 61.10 2g0k n THR 85 Cb 0.00 -2.49 -0.06 0.00 -1.82 0.00 0.00 70.33 65.96 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 10.17 4.68 -0.61 12.58 0.11 0.97 -4.82 120.40 143.47 2g0k s VAL 86 Ca 1.02 0.96 -0.15 0.00 -2.93 0.00 0.00 61.98 60.89 2g0k s VAL 86 Cb -0.36 -3.62 0.15 0.00 -1.53 0.00 0.00 36.38 31.02 2g0k s VAL 86 CO 0.33 -0.16 0.56 -1.81 -3.33 0.00 0.00 175.10 170.68 2g0k s ASP 87 N -2.24 6.28 0.66 3.54 1.11 -1.26 -2.18 116.67 122.58 2g0k s ASP 87 Ca 0.54 -2.05 0.33 0.00 0.18 0.00 0.00 52.55 51.54 2g0k s ASP 87 Cb -0.11 -2.19 1.79 0.00 1.07 0.00 0.00 42.92 43.48 2g0k s ASP 87 CO 0.18 -0.76 2.02 0.00 1.18 0.00 0.00 175.17 177.78 2g0k n THR 89 N -3.02 0.15 -0.03 0.00 -2.24 -1.18 -3.82 114.28 104.13 2g0k n THR 89 Ca -0.01 -0.40 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2g0k n THR 89 Cb 0.33 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.59 0.42 -4.32 4.28 -1.04 0.49 -5.03 114.28 109.67 2g0k n THR 90 Ca 0.17 -0.46 -0.20 0.00 -2.04 0.00 0.00 64.05 61.52 2g0k n THR 90 Cb 0.42 -0.19 -0.08 0.00 -1.82 0.00 0.00 70.33 68.66 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 -2.74 2.02 -0.18 2.41 0.00 -0.93 -5.06 121.76 117.28 2g0k s ALA 91 Ca -0.06 -1.93 -0.19 0.00 0.00 0.00 0.00 51.96 49.77 2g0k s ALA 91 Cb 0.07 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.53 2g0k s ALA 91 CO 0.61 -0.61 0.54 0.00 0.00 0.00 0.00 175.76 176.29 2g0k s ALA 92 N -3.42 3.52 0.30 0.00 0.00 -1.26 -4.73 121.76 116.16 2g0k s ALA 92 Ca 0.38 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.10 2g0k s ALA 92 Cb 0.02 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2g0k s ALA 92 CO 0.25 -0.36 0.30 0.00 0.00 0.00 0.00 175.76 175.95 2g0k s GLN 94 N -3.97 0.77 0.26 0.00 -2.07 -1.14 -0.80 119.66 112.70 2g0k s GLN 94 Ca 0.38 0.13 0.06 0.00 -1.82 0.00 0.00 55.36 54.11 2g0k s GLN 94 Cb -0.07 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 2g0k s GLN 94 CO 0.27 -0.20 0.34 0.08 -1.32 0.00 0.00 175.29 174.45 2g0k s VAL 95 N -0.96 4.77 -0.16 3.63 1.01 -1.01 -2.42 120.40 125.26 2g0k s VAL 95 Ca -0.10 -1.11 -0.35 0.00 0.00 0.00 0.00 61.98 60.43 2g0k s VAL 95 Cb -0.03 -3.64 0.15 0.00 0.00 0.00 0.00 36.38 32.86 2g0k s VAL 95 CO 0.05 -0.30 1.39 -0.83 0.00 0.00 0.00 175.10 175.42 2g0k s GLY 96 N -3.98 -0.38 -0.07 4.51 0.00 -0.67 -3.29 107.32 103.44 2g0k s GLY 96 Ca 0.36 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.40 2g0k s GLY 96 CO 0.28 0.35 -0.11 0.48 0.00 0.00 0.00 173.10 174.10 2g0k s LEU 97 N -2.61 1.57 0.12 0.66 2.34 1.73 0.30 118.68 122.78 2g0k s LEU 97 Ca 0.13 -0.28 0.05 0.00 0.06 0.00 0.00 54.13 54.10 2g0k s LEU 97 Cb 0.04 -0.79 -0.04 0.00 -0.56 0.00 0.00 46.19 44.84 2g0k s LEU 97 CO -0.05 0.01 0.02 -0.44 -1.06 0.00 0.00 176.35 174.83 2g0k s SER 98 N 0.80 5.05 0.00 1.48 0.01 2.94 -2.29 113.70 121.69 2g0k s SER 98 Ca -0.12 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2g0k s SER 98 Cb -0.15 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2g0k s SER 98 CO 0.02 0.14 0.00 -0.90 0.41 0.00 0.00 173.24 172.91 2g0k n ASP 99 N 0.29 1.32 -0.03 2.44 5.75 -1.06 0.31 116.55 125.58 2g0k n ASP 99 Ca -0.10 -0.24 -0.11 0.00 -0.01 0.00 0.00 54.79 54.32 2g0k n ASP 99 Cb 0.53 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.44 0.15 0.00 2.12 0.00 -1.92 -2.50 119.26 117.56 2g0k h ALA 100 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2g0k h ALA 100 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2g0k h ALA 100 CO 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 179.25 178.76 2g0k h ALA 101 N 0.87 1.03 -0.69 0.00 0.00 -1.96 -3.47 119.26 115.05 2g0k h ALA 101 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2g0k h ALA 101 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2g0k h ALA 101 CO -0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2g0k n GLY 102 N 0.11 0.64 3.44 0.00 0.00 -0.94 -5.13 105.19 103.32 2g0k n GLY 102 Ca -0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.85 2.26 -0.01 1.61 6.03 -1.26 -4.79 114.94 116.93 2g0k s ASN 103 Ca 0.00 -1.46 -0.26 0.00 -1.03 0.00 0.00 52.86 50.11 2g0k s ASN 103 Cb 0.00 0.13 0.09 0.00 -3.03 0.00 0.00 41.25 38.44 2g0k s ASN 103 CO 0.00 -0.72 1.18 0.61 -2.03 0.00 0.00 177.10 176.14 2g0k n GLY 104 N -0.71 0.26 3.79 0.45 0.00 -1.25 -2.55 105.19 105.18 2g0k n GLY 104 Ca -0.03 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 2.55 -0.24 1.61 0.04 -1.26 -4.46 135.00 131.22 2g0k s PRO 105 Ca 0.28 1.04 -0.34 0.00 0.04 0.00 0.00 61.00 62.02 2g0k s PRO 105 Cb -0.01 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 2g0k s PRO 105 CO -0.00 -1.40 1.08 -1.91 0.04 0.00 0.00 177.00 174.81 2g0k n GLU 106 N -3.34 0.00 -0.90 4.56 2.13 -1.08 -4.51 120.64 117.50 2g0k n GLU 106 Ca 0.08 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.62 2g0k n GLU 106 Cb 0.53 -1.16 0.01 0.00 0.27 0.00 0.00 31.44 31.09 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2g0k n GLY 107 N 2.38 -2.48 3.07 8.31 0.00 -1.26 -4.79 105.19 110.42 2g0k n GLY 107 Ca 0.21 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.47 2.66 0.13 1.61 1.01 -1.21 -5.08 120.40 118.06 2g0k s VAL 108 Ca 0.40 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.04 2g0k s VAL 108 Cb -0.34 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 2g0k s VAL 108 CO 0.50 -0.51 0.85 0.00 0.00 0.00 0.00 175.10 175.95 2g0k s ALA 109 N 1.04 3.35 0.34 5.51 0.00 -1.26 -2.40 121.76 128.34 2g0k s ALA 109 Ca 0.06 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.51 2g0k s ALA 109 Cb -0.20 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2g0k s ALA 109 CO -0.06 0.13 0.36 0.96 0.00 0.00 0.00 175.76 177.16 2g0k s ILE 110 N -0.57 0.00 -0.05 0.00 -4.36 0.02 -4.92 121.20 111.32 2g0k s ILE 110 Ca 0.40 -1.85 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 2g0k s ILE 110 Cb -0.23 -2.57 0.10 0.00 1.25 0.00 0.00 42.46 41.01 2g0k s ILE 110 CO 0.27 0.00 1.33 -0.55 0.24 0.00 0.00 174.94 176.23 2g0k s SER 111 N -3.34 -0.00 -0.17 4.36 0.15 -1.23 -3.27 113.70 110.20 2g0k s SER 111 Ca 0.37 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2g0k s SER 111 Cb 0.01 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2g0k s SER 111 CO 0.26 -0.17 -0.09 -0.36 1.20 0.00 0.00 173.24 174.08 2g0k s PHE 112 N -2.04 2.08 0.00 3.44 0.40 -1.26 -2.41 117.98 118.19 2g0k s PHE 112 Ca 0.29 -1.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 2g0k s PHE 112 Cb 0.01 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.03 2g0k s PHE 112 CO -0.02 -0.68 0.00 0.27 0.70 0.00 0.00 175.22 175.49