#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 1.04 1.16 0.00 0.00 -1.26 -4.63 121.76 118.07 2g0k s ALA 2 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 2g0k s ALA 2 Cb 0.00 -0.91 0.24 0.00 0.00 0.00 0.00 23.12 22.45 2g0k s ALA 2 CO 0.00 -0.59 0.97 -0.35 0.00 0.00 0.00 175.76 175.79 2g0k n PRO 3 N 5.03 -2.38 -3.56 0.00 -0.04 -1.26 -3.98 135.00 128.82 2g0k n PRO 3 Ca -0.10 -1.54 -0.39 0.00 -0.04 0.00 0.00 63.50 61.43 2g0k n PRO 3 Cb 0.49 -1.32 -0.11 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.86 5.27 -0.03 0.52 -1.32 -0.78 -1.19 115.64 115.25 2g0k s THR 4 Ca 0.61 -0.09 0.03 0.00 -1.21 0.00 0.00 61.69 61.02 2g0k s THR 4 Cb -0.05 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2g0k s THR 4 CO 0.45 0.08 -0.10 0.00 -2.21 0.00 0.00 174.62 172.85 2g0k s ALA 5 N 1.73 0.95 -0.38 11.08 0.00 -1.24 0.54 121.76 134.45 2g0k s ALA 5 Ca 0.06 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 2g0k s ALA 5 Cb -0.17 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2g0k s ALA 5 CO 0.11 0.15 0.44 0.95 0.00 0.00 0.00 175.76 177.40 2g0k s THR 6 N 0.21 5.09 0.18 0.00 -4.23 1.22 -4.76 115.64 113.35 2g0k s THR 6 Ca -0.04 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 2g0k s THR 6 Cb -0.09 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 2g0k s THR 6 CO 0.01 -0.26 0.00 0.68 -0.54 0.00 0.00 174.62 174.51 2g0k s VAL 7 N 2.18 3.71 1.18 2.29 -7.23 -1.25 0.05 120.40 121.33 2g0k s VAL 7 Ca 0.14 -1.46 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 2g0k s VAL 7 Cb -0.16 -2.87 0.28 0.00 0.56 0.00 0.00 36.38 34.18 2g0k s VAL 7 CO 0.13 -0.13 1.08 0.28 -0.31 0.00 0.00 175.10 176.15 2g0k s THR 8 N -1.77 1.68 -0.15 5.32 -1.32 -0.05 -4.88 115.64 114.47 2g0k s THR 8 Ca 0.28 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 2g0k s THR 8 Cb -0.09 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.47 2g0k s THR 8 CO 0.19 0.00 1.41 -2.16 -2.21 0.00 0.00 174.62 171.85 2g0k s PRO 9 N -5.19 4.14 -0.61 7.08 0.04 -1.26 -4.71 135.00 134.49 2g0k s PRO 9 Ca 0.69 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.52 2g0k s PRO 9 Cb -0.13 -3.87 0.40 0.00 0.04 0.00 0.00 34.50 30.94 2g0k s PRO 9 CO 0.57 -0.85 1.54 -1.13 0.04 0.00 0.00 177.00 177.17 2g0k n SER 10 N 7.06 6.05 -3.88 6.66 3.41 -1.26 -4.90 113.62 126.76 2g0k n SER 10 Ca 0.15 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.69 2g0k n SER 10 Cb 0.44 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.46 3.96 0.00 4.04 1.04 -1.24 -2.10 113.70 116.93 2g0k s SER 11 Ca 0.51 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2g0k s SER 11 Cb 0.42 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2g0k s SER 11 CO -0.25 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2g0k n GLY 12 N 4.68 1.22 3.46 7.32 0.00 -1.23 -4.81 105.19 115.84 2g0k n GLY 12 Ca -0.07 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.09 3.12 0.50 0.99 1.43 -1.26 -4.89 118.68 118.48 2g0k s LEU 13 Ca 0.00 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2g0k s LEU 13 Cb 0.00 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2g0k s LEU 13 CO 0.00 0.15 0.26 -0.55 0.23 0.00 0.00 176.35 176.44 2g0k s SER 14 N 0.44 4.49 0.24 2.29 0.15 -1.26 -4.87 113.70 115.19 2g0k s SER 14 Ca -0.05 -1.26 -0.28 0.00 0.70 0.00 0.00 55.95 55.06 2g0k s SER 14 Cb -0.15 0.15 -0.16 0.00 -1.71 0.00 0.00 66.02 64.16 2g0k s SER 14 CO 0.03 -0.88 0.77 -0.67 1.20 0.00 0.00 173.24 173.69 2g0k n ASP 15 N -1.51 0.03 0.00 5.45 -0.08 -1.26 -1.67 116.55 117.51 2g0k n ASP 15 Ca -0.05 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 2g0k n ASP 15 Cb 0.65 -1.12 0.00 0.00 2.34 0.00 0.00 41.12 42.99 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 1.63 3.06 3.83 0.27 0.00 -1.25 -5.03 105.19 107.71 2g0k n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.75 4.47 -0.17 2.61 2.01 -0.67 -4.99 115.64 116.15 2g0k s THR 17 Ca 0.00 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2g0k s THR 17 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2g0k s THR 17 CO 0.00 -0.34 -0.19 0.54 -0.69 0.00 0.00 174.62 173.94 2g0k s VAL 18 N -2.20 1.95 0.38 3.82 0.11 -1.26 -2.06 120.40 121.13 2g0k s VAL 18 Ca 0.60 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.69 2g0k s VAL 18 Cb -0.09 -1.77 -0.06 0.00 -1.53 0.00 0.00 36.38 32.93 2g0k s VAL 18 CO 0.16 0.52 0.72 0.54 -3.33 0.00 0.00 175.10 173.72 2g0k s VAL 19 N 1.29 4.84 0.04 2.04 0.11 0.96 -4.90 120.40 124.78 2g0k s VAL 19 Ca 0.04 0.48 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 2g0k s VAL 19 Cb -0.13 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 2g0k s VAL 19 CO -0.12 -0.48 0.01 -0.75 -3.33 0.00 0.00 175.10 170.44 2g0k s LYS 20 N -3.80 2.73 -0.19 1.54 2.36 -1.26 -0.34 119.74 120.78 2g0k s LYS 20 Ca 0.49 -0.69 -0.04 0.00 -2.55 0.00 0.00 55.97 53.18 2g0k s LYS 20 Cb -0.10 -2.64 0.08 0.00 -1.05 0.00 0.00 37.83 34.12 2g0k s LYS 20 CO 0.31 0.59 0.20 0.54 1.55 0.00 0.00 175.35 178.54 2g0k s VAL 21 N -1.20 -0.28 -0.20 4.02 0.11 -0.01 -0.87 120.40 121.96 2g0k s VAL 21 Ca 0.23 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2g0k s VAL 21 Cb -0.12 -0.64 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2g0k s VAL 21 CO 0.15 -0.19 -0.14 0.00 -3.33 0.00 0.00 175.10 171.59 2g0k s ALA 22 N 2.29 2.19 0.35 1.54 0.00 0.11 -1.63 121.76 126.61 2g0k s ALA 22 Ca 0.06 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 2g0k s ALA 22 Cb -0.16 -1.29 -0.10 0.00 0.00 0.00 0.00 23.12 21.58 2g0k s ALA 22 CO -0.11 -0.71 0.83 0.20 0.00 0.00 0.00 175.76 175.97 2g0k s GLY 23 N 1.32 2.43 -0.21 0.00 0.00 -0.91 0.38 107.32 110.33 2g0k s GLY 23 Ca -0.00 0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.90 2g0k s GLY 23 CO -0.09 0.50 0.36 0.00 0.00 0.00 0.00 173.10 173.86 2g0k s ALA 24 N -1.97 -0.96 0.00 3.20 0.00 2.14 -2.61 121.76 121.56 2g0k s ALA 24 Ca 0.55 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2g0k s ALA 24 Cb -0.11 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2g0k s ALA 24 CO 0.17 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2g0k n GLY 25 N 5.37 0.93 3.97 0.00 0.00 -1.06 -1.86 105.19 112.53 2g0k n GLY 25 Ca -0.06 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2g0k n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0k s LEU 26 N 0.00 3.05 -0.15 0.99 1.02 -1.02 -4.78 118.68 117.79 2g0k s LEU 26 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 54.13 53.80 2g0k s LEU 26 Cb 0.00 -2.64 -0.13 0.00 0.02 0.00 0.00 46.19 43.44 2g0k s LEU 26 CO 0.00 -1.53 1.85 0.00 0.02 0.00 0.00 176.35 176.69 2g0k n GLN 27 N -2.68 1.86 -2.40 1.70 3.00 -1.26 -4.55 117.38 113.04 2g0k n GLN 27 Ca 0.10 0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 2g0k n GLN 27 Cb 0.60 -2.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.32 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2g0k s ALA 28 N 4.02 3.42 0.00 -1.58 0.00 -1.26 -2.39 121.76 123.97 2g0k s ALA 28 Ca 0.95 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2g0k s ALA 28 Cb -0.81 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2g0k s ALA 28 CO 0.56 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2g0k n GLY 29 N 2.66 0.42 3.85 0.00 0.00 -0.42 -4.93 105.19 106.77 2g0k n GLY 29 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.99 5.12 0.35 2.61 2.01 -1.00 -4.82 115.64 117.92 2g0k s THR 30 Ca 0.00 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 2g0k s THR 30 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2g0k s THR 30 CO 0.00 0.50 0.79 0.00 -0.69 0.00 0.00 174.62 175.22 2g0k s ALA 31 N -1.17 3.26 0.00 7.40 0.00 -1.26 -1.77 121.76 128.22 2g0k s ALA 31 Ca 0.25 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.35 2g0k s ALA 31 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2g0k s ALA 31 CO 0.14 0.27 -0.06 0.71 0.00 0.00 0.00 175.76 176.82 2g0k s TYR 32 N -2.05 0.53 -0.28 0.00 2.02 -0.65 -4.35 117.35 112.57 2g0k s TYR 32 Ca 0.56 -0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 57.00 2g0k s TYR 32 Cb -0.10 -0.34 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2g0k s TYR 32 CO 0.17 -0.02 0.14 -0.51 -1.57 0.00 0.00 175.55 173.75 2g0k s ASP 33 N -0.39 5.54 -0.00 2.29 1.01 2.90 -3.15 116.67 124.86 2g0k s ASP 33 Ca 0.00 -0.30 -0.00 0.00 0.71 0.00 0.00 52.55 52.96 2g0k s ASP 33 Cb -0.04 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 2g0k s ASP 33 CO -0.00 -0.11 0.07 -0.69 0.21 0.00 0.00 175.17 174.65 2g0k s VAL 34 N 1.65 4.65 0.12 -1.27 1.01 -0.94 1.40 120.40 127.02 2g0k s VAL 34 Ca 0.06 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 2g0k s VAL 34 Cb -0.16 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.17 2g0k s VAL 34 CO 0.07 0.35 1.00 -0.83 0.00 0.00 0.00 175.10 175.69 2g0k s GLY 35 N -1.71 -0.27 -0.33 4.51 0.00 3.51 -0.44 107.32 112.59 2g0k s GLY 35 Ca 0.22 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.18 2g0k s GLY 35 CO 0.13 0.04 0.07 1.62 0.00 0.00 0.00 173.10 174.97 2g0k s GLN 36 N -3.14 2.48 0.01 2.90 0.74 -1.25 0.07 119.66 121.47 2g0k s GLN 36 Ca 0.12 -1.28 0.04 0.00 0.05 0.00 0.00 55.36 54.29 2g0k s GLN 36 Cb -0.00 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2g0k s GLN 36 CO 0.01 -0.69 -0.08 0.00 -0.55 0.00 0.00 175.29 173.97 2g0k s ALA 38 N -1.00 1.77 0.02 0.00 0.00 0.91 -1.10 121.76 122.37 2g0k s ALA 38 Ca 0.17 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 2g0k s ALA 38 Cb -0.11 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 2g0k s ALA 38 CO 0.08 0.22 1.68 -0.46 0.00 0.00 0.00 175.76 177.28 2g0k s TRP 39 N 0.44 2.16 -0.23 0.00 -0.00 -1.25 -0.20 118.94 119.87 2g0k s TRP 39 Ca -0.16 0.21 -0.02 0.00 -0.00 0.00 0.00 56.10 56.12 2g0k s TRP 39 Cb -0.17 -3.97 -0.13 0.00 -0.00 0.00 0.00 33.47 29.20 2g0k s TRP 39 CO 0.06 -4.01 -0.23 1.33 -0.00 0.00 0.00 176.95 174.11 2g0k n VAL 40 N 5.06 1.28 -4.31 5.86 0.24 0.30 -4.83 118.33 121.94 2g0k n VAL 40 Ca 0.17 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.34 61.82 2g0k n VAL 40 Cb 0.41 -1.44 -0.08 0.00 -1.47 0.00 0.00 33.84 31.26 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 -6.43 1.86 -0.21 -1.34 1.01 0.25 -5.01 116.67 106.80 2g0k s ASP 41 Ca -0.31 -1.77 -0.29 0.00 0.71 0.00 0.00 52.55 50.89 2g0k s ASP 41 Cb 0.09 0.57 -0.04 0.00 1.01 0.00 0.00 42.92 44.55 2g0k s ASP 41 CO 0.49 -1.06 1.98 -0.89 0.21 0.00 0.00 175.17 175.89 2g0k s THR 42 N -3.39 3.24 0.00 -1.27 2.01 -1.26 -1.01 115.64 113.95 2g0k s THR 42 Ca 0.39 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.65 2g0k s THR 42 Cb 0.02 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.25 2g0k s THR 42 CO 0.27 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2g0k n GLY 43 N 5.31 0.33 2.96 4.40 0.00 -1.26 -4.96 105.19 111.98 2g0k n GLY 43 Ca 0.25 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 -1.76 1.77 -0.03 1.61 1.01 -0.18 -5.10 120.40 117.72 2g0k s VAL 44 Ca 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 60.44 2g0k s VAL 44 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2g0k s VAL 44 CO 0.00 -0.27 -0.24 -1.48 0.00 0.00 0.00 175.10 173.11 2g0k s LEU 45 N 1.24 2.04 0.32 3.92 2.34 -1.26 0.87 118.68 128.14 2g0k s LEU 45 Ca -0.01 -0.45 -0.09 0.00 0.06 0.00 0.00 54.13 53.64 2g0k s LEU 45 Cb -0.19 -1.26 -0.06 0.00 -0.56 0.00 0.00 46.19 44.12 2g0k s LEU 45 CO -0.09 0.26 0.64 0.00 -1.06 0.00 0.00 176.35 176.11 2g0k s ALA 46 N -0.36 3.49 0.14 1.48 0.00 0.72 -3.61 121.76 123.63 2g0k s ALA 46 Ca 0.03 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.75 2g0k s ALA 46 Cb -0.11 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2g0k s ALA 46 CO 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 175.76 175.86 2g0k s ASN 48 N -2.44 4.65 0.00 0.00 2.47 -0.70 0.17 114.94 119.09 2g0k s ASN 48 Ca 0.21 -1.38 0.20 0.00 0.42 0.00 0.00 52.86 52.31 2g0k s ASN 48 Cb -0.10 -1.62 1.13 0.00 -1.45 0.00 0.00 41.25 39.21 2g0k s ASN 48 CO 0.13 -0.23 1.57 -0.81 -3.72 0.00 0.00 177.10 174.04 2g0k n PRO 49 N 4.51 0.55 0.02 0.43 -0.04 -1.26 -2.20 135.00 137.00 2g0k n PRO 49 Ca -0.13 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2g0k n PRO 49 Cb 0.43 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.05 2.84 -1.94 0.55 0.00 -1.26 -3.65 120.51 116.00 2g0k n ALA 50 Ca 0.14 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2g0k n ALA 50 Cb 0.08 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.65 1.17 -4.54 0.00 8.00 -0.94 -4.99 116.55 113.60 2g0k n ASP 51 Ca 0.06 -2.66 -0.42 0.00 0.71 0.00 0.00 54.79 52.48 2g0k n ASP 51 Cb 0.36 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2g0k n ASP 51 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2g0k s PHE 52 N -1.27 2.65 0.53 1.24 2.19 -1.23 -3.91 117.98 118.17 2g0k s PHE 52 Ca 0.27 0.05 0.09 0.00 0.33 0.00 0.00 56.93 57.67 2g0k s PHE 52 Cb 0.28 -4.31 0.06 0.00 -1.31 0.00 0.00 43.02 37.74 2g0k s PHE 52 CO -0.08 -1.56 0.69 0.45 1.83 0.00 0.00 175.22 176.55 2g0k s SER 53 N 3.11 5.17 0.00 6.13 0.15 0.42 -4.96 113.70 123.71 2g0k s SER 53 Ca 0.34 -0.79 -0.09 0.00 0.70 0.00 0.00 55.95 56.11 2g0k s SER 53 Cb -0.11 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2g0k s SER 53 CO 0.19 -1.16 0.17 -0.94 1.20 0.00 0.00 173.24 172.70 2g0k s SER 54 N -4.53 -0.01 -0.09 5.45 1.04 -1.26 -2.27 113.70 112.03 2g0k s SER 54 Ca 0.57 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 2g0k s SER 54 Cb -0.06 0.22 0.11 0.00 0.10 0.00 0.00 66.02 66.39 2g0k s SER 54 CO 0.35 -0.39 0.91 0.54 0.98 0.00 0.00 173.24 175.64 2g0k s VAL 55 N -1.40 0.00 -0.07 5.02 0.11 -1.19 -4.99 120.40 117.89 2g0k s VAL 55 Ca -0.15 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2g0k s VAL 55 Cb -0.07 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2g0k s VAL 55 CO 0.02 0.00 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -1.86 1.69 0.35 5.04 2.01 -1.26 -1.64 115.64 119.97 2g0k s THR 56 Ca -0.01 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 2g0k s THR 56 Cb -0.01 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.95 2g0k s THR 56 CO -0.01 0.48 1.22 0.00 -0.69 0.00 0.00 174.62 175.61 2g0k s ALA 57 N 0.21 3.34 1.03 7.40 0.00 -0.73 -4.76 121.76 128.25 2g0k s ALA 57 Ca -0.10 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 2g0k s ALA 57 Cb -0.15 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.67 2g0k s ALA 57 CO 0.05 -0.52 0.61 -0.40 0.00 0.00 0.00 175.76 175.49 2g0k n ASP 58 N 0.57 -0.34 0.28 0.00 5.68 -0.55 -1.30 116.55 120.89 2g0k n ASP 58 Ca 0.02 -1.13 0.14 0.00 -0.50 0.00 0.00 54.79 53.32 2g0k n ASP 58 Cb 0.44 -0.48 0.81 0.00 -1.14 0.00 0.00 41.12 40.75 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 -2.01 1.37 0.00 2.12 0.00 -1.91 0.11 119.26 118.93 2g0k h ALA 59 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2g0k h ALA 59 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2g0k h ALA 59 CO 0.14 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.57 2g0k n ASN 60 N -3.70 0.00 -0.71 0.00 4.13 -1.26 -4.81 115.26 108.90 2g0k n ASN 60 Ca -0.02 0.09 -0.06 0.00 1.68 0.00 0.00 54.58 56.27 2g0k n ASN 60 Cb 0.17 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 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 0.85 0.19 3.13 7.41 0.00 0.34 -4.71 105.19 112.40 2g0k n GLY 61 Ca 0.10 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.79 1.98 0.32 1.61 1.04 -1.26 -2.44 113.70 112.16 2g0k s SER 62 Ca 0.02 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.22 2g0k s SER 62 Cb -0.01 -0.38 -0.06 0.00 0.10 0.00 0.00 66.02 65.67 2g0k s SER 62 CO 0.02 0.17 -0.07 0.00 0.98 0.00 0.00 173.24 174.34 2g0k s ALA 63 N -0.17 2.73 -0.14 5.32 0.00 -1.07 -1.47 121.76 126.95 2g0k s ALA 63 Ca 0.02 -2.03 -0.05 0.00 0.00 0.00 0.00 51.96 49.89 2g0k s ALA 63 Cb -0.09 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.17 2g0k s ALA 63 CO 0.01 0.01 0.29 -1.54 0.00 0.00 0.00 175.76 174.53 2g0k s SER 64 N -3.55 0.22 -0.08 0.00 1.04 -1.26 -2.13 113.70 107.94 2g0k s SER 64 Ca 0.32 0.67 -0.26 0.00 0.48 0.00 0.00 55.95 57.16 2g0k s SER 64 Cb 0.03 0.82 0.06 0.00 0.10 0.00 0.00 66.02 67.03 2g0k s SER 64 CO 0.15 -0.24 0.60 -0.89 0.98 0.00 0.00 173.24 173.84 2g0k s THR 65 N 2.43 0.01 -0.14 2.02 2.01 -0.65 -4.96 115.64 116.36 2g0k s THR 65 Ca 0.00 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 2g0k s THR 65 Cb -0.12 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 2g0k s THR 65 CO -0.09 -0.05 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.27 2g0k s SER 66 N -0.93 4.44 0.22 3.53 0.01 -1.26 -0.83 113.70 118.89 2g0k s SER 66 Ca -0.09 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2g0k s SER 66 Cb -0.02 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 2g0k s SER 66 CO 0.07 0.17 0.37 -0.22 0.41 0.00 0.00 173.24 174.04 2g0k s LEU 67 N 0.37 4.26 -0.28 2.44 0.20 0.54 -4.91 118.68 121.30 2g0k s LEU 67 Ca -0.07 0.23 -0.11 0.00 0.69 0.00 0.00 54.13 54.87 2g0k s LEU 67 Cb -0.15 -3.01 -0.04 0.00 -0.43 0.00 0.00 46.19 42.56 2g0k s LEU 67 CO 0.04 -0.06 0.18 0.28 -0.29 0.00 0.00 176.35 176.50 2g0k s THR 68 N -1.93 5.14 -0.07 3.68 -1.32 -1.26 -0.03 115.64 119.85 2g0k s THR 68 Ca 0.36 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.60 2g0k s THR 68 Cb -0.10 -3.47 -0.02 0.00 -1.51 0.00 0.00 72.50 67.40 2g0k s THR 68 CO 0.30 0.22 0.98 -0.69 -2.21 0.00 0.00 174.62 173.23 2g0k s VAL 69 N 1.73 4.83 0.16 5.08 1.01 -0.87 -4.86 120.40 127.47 2g0k s VAL 69 Ca 0.07 2.02 0.11 0.00 0.00 0.00 0.00 61.98 64.18 2g0k s VAL 69 Cb -0.16 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2g0k s VAL 69 CO 0.10 0.07 -0.22 -0.13 0.00 0.00 0.00 175.10 174.92 2g0k s ARG 70 N 1.61 1.60 0.04 2.72 3.00 -1.26 -3.75 118.95 122.91 2g0k s ARG 70 Ca 0.49 -1.39 0.24 0.00 0.00 0.00 0.00 55.73 55.07 2g0k s ARG 70 Cb -0.19 -1.94 0.27 0.00 0.00 0.00 0.00 34.95 33.09 2g0k s ARG 70 CO 0.21 0.43 1.23 2.89 0.00 0.00 0.00 175.30 180.07 2g0k n ARG 71 N 0.49 0.16 -3.57 3.54 0.00 -1.26 -4.63 116.66 111.39 2g0k n ARG 71 Ca -0.14 0.02 -0.10 0.00 -0.00 0.00 0.00 57.85 57.63 2g0k n ARG 71 Cb 0.55 -1.58 -0.05 0.00 -0.00 0.00 0.00 32.46 31.38 2g0k n ARG 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2g0k s SER 72 N -3.60 -0.35 -0.25 2.89 0.15 -1.26 0.31 113.70 111.60 2g0k s SER 72 Ca 0.07 0.34 -0.33 0.00 0.70 0.00 0.00 55.95 56.73 2g0k s SER 72 Cb 0.15 0.30 0.16 0.00 -1.71 0.00 0.00 66.02 64.92 2g0k s SER 72 CO 0.75 -0.36 1.29 0.72 1.20 0.00 0.00 173.24 176.84 2g0k s PHE 73 N -1.35 -0.08 -0.15 3.44 -0.12 -0.76 -4.95 117.98 114.00 2g0k s PHE 73 Ca -0.00 0.10 -0.32 0.00 -0.05 0.00 0.00 56.93 56.65 2g0k s PHE 73 Cb -0.01 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.79 2g0k s PHE 73 CO 0.00 -0.11 2.03 -0.85 -0.05 0.00 0.00 175.22 176.25 2g0k n GLU 74 N 0.23 2.04 -2.20 1.99 0.00 -1.26 -0.21 120.64 121.23 2g0k n GLU 74 Ca 0.01 0.69 -0.32 0.00 0.00 0.00 0.00 57.16 57.53 2g0k n GLU 74 Cb 0.58 -2.81 -0.04 0.00 0.00 0.00 0.00 31.44 29.17 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2g0k s GLY 75 N 5.73 0.49 -0.73 -1.84 0.00 0.31 -4.14 107.32 107.13 2g0k s GLY 75 Ca 0.97 -1.59 -0.25 0.00 0.00 0.00 0.00 44.72 43.85 2g0k s GLY 75 CO 0.46 3.24 1.19 -1.36 0.00 0.00 0.00 173.10 176.63 2g0k s PHE 76 N 8.48 2.44 0.24 1.90 0.08 0.45 -0.58 117.98 130.99 2g0k s PHE 76 Ca 0.62 -0.28 -0.31 0.00 0.12 0.00 0.00 56.93 57.08 2g0k s PHE 76 Cb -0.06 -4.52 -0.13 0.00 -0.57 0.00 0.00 43.02 37.74 2g0k s PHE 76 CO 0.00 -1.92 1.45 -0.11 -0.10 0.00 0.00 175.22 174.53 2g0k n LEU 77 N 8.76 3.30 -0.35 -0.37 7.94 0.14 0.27 117.00 136.68 2g0k n LEU 77 Ca 0.03 1.14 0.24 0.00 -1.11 0.00 0.00 56.01 56.30 2g0k n LEU 77 Cb 0.48 -1.45 0.48 0.00 0.53 0.00 0.00 43.42 43.46 2g0k n LEU 77 CO 0.68 -0.38 1.17 -0.26 -1.11 0.00 0.00 177.39 177.49 2g0k h PHE 78 N 4.40 0.84 0.00 1.96 -1.00 -1.87 1.93 116.94 123.20 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 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2g0k h PHE 78 CO 0.57 -0.06 0.13 0.22 -1.61 0.00 0.00 178.31 177.56 2g0k h ASP 79 N 0.38 0.00 0.00 2.17 3.58 -1.91 -3.44 116.42 117.20 2g0k h ASP 79 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 2g0k h ASP 79 Cb 1.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2g0k h ASP 79 CO -0.48 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.49 2g0k n GLY 80 N -1.21 1.60 3.51 -0.78 0.00 0.65 -5.10 105.19 103.86 2g0k n GLY 80 Ca -0.02 -0.15 -0.32 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 3.18 -0.87 2.61 2.01 -1.08 -4.91 115.64 114.58 2g0k s THR 81 Ca 0.00 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.88 2g0k s THR 81 Cb 0.00 -2.32 0.05 0.00 0.01 0.00 0.00 72.50 70.23 2g0k s THR 81 CO 0.00 0.45 1.33 -0.13 -0.69 0.00 0.00 174.62 175.59 2g0k s ARG 82 N -1.16 3.39 0.03 4.92 0.52 -1.26 0.23 118.95 125.61 2g0k s ARG 82 Ca 0.14 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.32 2g0k s ARG 82 Cb -0.11 -4.76 -0.17 0.00 0.52 0.00 0.00 34.95 30.44 2g0k s ARG 82 CO 0.04 -2.14 1.28 2.35 0.02 0.00 0.00 175.30 176.85 2g0k h TRP 83 N 9.84 -0.86 0.00 -0.53 2.91 -1.22 -3.48 115.95 122.62 2g0k h TRP 83 Ca -0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2g0k h TRP 83 Cb 1.03 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2g0k h TRP 83 CO 1.19 -0.50 0.00 0.41 -1.03 0.00 0.00 178.44 178.51 2g0k n GLY 84 N -0.88 2.65 3.59 2.65 0.00 -1.22 -4.95 105.19 107.04 2g0k n GLY 84 Ca -0.13 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2g0k n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0k s THR 85 N -2.00 3.16 0.28 2.61 2.01 -1.26 0.11 115.64 120.55 2g0k s THR 85 Ca 0.00 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 2g0k s THR 85 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 2g0k s THR 85 CO 0.00 -0.16 0.88 -0.69 -0.69 0.00 0.00 174.62 173.96 2g0k s VAL 86 N 8.33 4.31 -0.62 3.82 1.01 0.71 -4.82 120.40 133.14 2g0k s VAL 86 Ca 0.93 1.69 -0.07 0.00 0.00 0.00 0.00 61.98 64.53 2g0k s VAL 86 Cb -0.27 -3.99 0.16 0.00 0.00 0.00 0.00 36.38 32.27 2g0k s VAL 86 CO 0.33 0.20 0.47 -1.81 0.00 0.00 0.00 175.10 174.29 2g0k s ASP 87 N -1.58 5.71 0.59 3.32 1.11 -1.26 -1.83 116.67 122.72 2g0k s ASP 87 Ca 0.47 -2.51 0.29 0.00 0.18 0.00 0.00 52.55 50.98 2g0k s ASP 87 Cb -0.19 -1.98 1.47 0.00 1.07 0.00 0.00 42.92 43.29 2g0k s ASP 87 CO 0.24 -0.51 1.88 0.00 1.18 0.00 0.00 175.17 177.95 2g0k n THR 89 N -3.73 0.00 -0.01 0.00 -2.24 -1.18 -3.32 114.28 103.81 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 0.70 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.12 0.19 -4.37 4.28 -1.04 0.62 -5.07 114.28 107.77 2g0k n THR 90 Ca 0.20 -0.14 -0.18 0.00 -2.04 0.00 0.00 64.05 61.89 2g0k n THR 90 Cb 0.16 -0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.02 0.39 -2.67 2.41 0.00 0.07 -5.05 120.51 113.63 2g0k n ALA 91 Ca -0.05 -1.46 -0.36 0.00 0.00 0.00 0.00 53.44 51.57 2g0k n ALA 91 Cb 0.50 0.96 -0.09 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.75 3.62 0.12 0.00 0.00 -1.26 -4.56 121.76 116.94 2g0k s ALA 92 Ca 0.12 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.26 2g0k s ALA 92 Cb 0.01 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2g0k s ALA 92 CO 0.09 -0.14 0.17 0.00 0.00 0.00 0.00 175.76 175.87 2g0k s GLN 94 N -2.87 0.39 0.29 0.00 -2.07 -0.26 -0.85 119.66 114.28 2g0k s GLN 94 Ca 0.32 -0.38 0.09 0.00 -1.82 0.00 0.00 55.36 53.57 2g0k s GLN 94 Cb -0.11 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 31.92 2g0k s GLN 94 CO 0.25 -0.08 0.05 0.08 -1.32 0.00 0.00 175.29 174.27 2g0k s VAL 95 N -1.20 3.42 -0.06 3.63 1.01 -1.03 -0.05 120.40 126.12 2g0k s VAL 95 Ca -0.13 -1.81 -0.31 0.00 0.00 0.00 0.00 61.98 59.73 2g0k s VAL 95 Cb -0.07 -2.93 0.13 0.00 0.00 0.00 0.00 36.38 33.50 2g0k s VAL 95 CO 0.01 -0.32 1.37 -0.83 0.00 0.00 0.00 175.10 175.33 2g0k s GLY 96 N -3.74 -0.42 -0.03 4.51 0.00 0.11 -3.36 107.32 104.39 2g0k s GLY 96 Ca 0.33 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.82 2g0k s GLY 96 CO 0.21 1.07 -0.11 0.48 0.00 0.00 0.00 173.10 174.75 2g0k s LEU 97 N -3.13 1.81 0.19 0.66 2.34 0.85 0.72 118.68 122.13 2g0k s LEU 97 Ca 0.17 -0.23 0.10 0.00 0.06 0.00 0.00 54.13 54.23 2g0k s LEU 97 Cb 0.06 -0.66 -0.04 0.00 -0.56 0.00 0.00 46.19 44.98 2g0k s LEU 97 CO -0.05 0.09 -0.12 -0.94 -1.06 0.00 0.00 176.35 174.26 2g0k s SER 98 N 0.16 4.07 0.00 1.48 1.04 13.58 -3.39 113.70 130.65 2g0k s SER 98 Ca -0.03 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2g0k s SER 98 Cb -0.09 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.41 2g0k s SER 98 CO 0.01 0.10 0.00 -0.90 0.98 0.00 0.00 173.24 173.43 2g0k n ASP 99 N 0.00 1.51 -0.02 7.02 5.75 -0.98 0.65 116.55 130.48 2g0k n ASP 99 Ca -0.11 -0.71 -0.12 0.00 -0.01 0.00 0.00 54.79 53.85 2g0k n ASP 99 Cb 0.56 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 0.77 0.12 0.00 2.12 0.00 -1.92 -2.35 119.26 118.00 2g0k h ALA 100 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 100 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 179.25 178.86 2g0k h ALA 101 N 0.84 1.18 -0.86 0.00 0.00 -1.96 -3.46 119.26 114.99 2g0k h ALA 101 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2g0k h ALA 101 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2g0k h ALA 101 CO -0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2g0k n GLY 102 N -0.45 0.63 3.34 0.00 0.00 -0.88 -5.12 105.19 102.71 2g0k n GLY 102 Ca -0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.96 1.54 0.04 1.61 6.03 -1.26 -4.82 114.94 116.11 2g0k s ASN 103 Ca 0.00 -1.35 -0.27 0.00 -1.03 0.00 0.00 52.86 50.21 2g0k s ASN 103 Cb 0.00 0.09 0.09 0.00 -3.03 0.00 0.00 41.25 38.40 2g0k s ASN 103 CO 0.00 -0.67 1.21 -0.83 -2.03 0.00 0.00 177.10 174.78 2g0k s GLY 104 N -3.34 -0.13 0.78 0.45 0.00 -1.26 -2.33 107.32 101.49 2g0k s GLY 104 Ca 0.36 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.06 2g0k s GLY 104 CO 0.13 3.34 1.08 2.56 0.00 0.00 0.00 173.10 180.21 2g0k s PRO 105 N -2.21 2.26 -0.33 2.90 0.04 -1.26 -4.20 135.00 132.19 2g0k s PRO 105 Ca 0.23 0.94 -0.41 0.00 0.04 0.00 0.00 61.00 61.80 2g0k s PRO 105 Cb 0.00 -1.91 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 2g0k s PRO 105 CO 0.00 -1.58 1.33 -0.85 0.04 0.00 0.00 177.00 175.95 2g0k n GLU 106 N -3.45 0.00 -0.93 4.56 0.28 -0.33 -4.49 120.64 116.29 2g0k n GLU 106 Ca 0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.76 2g0k n GLU 106 Cb 0.54 -1.38 0.03 0.00 1.43 0.00 0.00 31.44 32.06 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g0k n GLY 107 N 3.03 -3.77 2.93 -1.84 0.00 -1.26 -4.84 105.19 99.43 2g0k n GLY 107 Ca 0.26 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 2g0k n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0k s VAL 108 N -1.75 1.69 0.12 1.61 1.01 -1.21 -5.08 120.40 116.79 2g0k s VAL 108 Ca 0.39 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 2g0k s VAL 108 Cb -0.23 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 2g0k s VAL 108 CO 0.69 -0.38 0.74 0.00 0.00 0.00 0.00 175.10 176.15 2g0k s ALA 109 N 1.25 3.44 0.21 5.51 0.00 -1.26 -2.46 121.76 128.46 2g0k s ALA 109 Ca 0.03 0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.38 2g0k s ALA 109 Cb -0.19 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2g0k s ALA 109 CO -0.11 0.24 -0.14 0.42 0.00 0.00 0.00 175.76 176.17 2g0k s ILE 110 N -0.80 2.88 -0.14 0.00 1.01 -0.03 -4.96 121.20 119.16 2g0k s ILE 110 Ca 0.36 -1.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 2g0k s ILE 110 Cb -0.22 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2g0k s ILE 110 CO 0.24 -0.20 0.06 -0.55 0.00 0.00 0.00 174.94 174.50 2g0k s SER 111 N -3.02 2.20 -0.64 3.58 0.15 -0.89 -3.97 113.70 111.10 2g0k s SER 111 Ca 0.26 -0.49 -0.23 0.00 0.70 0.00 0.00 55.95 56.18 2g0k s SER 111 Cb -0.08 -0.33 0.06 0.00 -1.71 0.00 0.00 66.02 63.97 2g0k s SER 111 CO 0.14 -0.31 0.98 -0.36 1.20 0.00 0.00 173.24 174.89 2g0k s PHE 112 N 2.06 2.67 0.00 3.44 0.40 -1.26 -3.46 117.98 121.83 2g0k s PHE 112 Ca 0.02 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2g0k s PHE 112 Cb -0.15 -4.27 0.00 0.00 0.51 0.00 0.00 43.02 39.11 2g0k s PHE 112 CO -0.07 -1.62 0.00 0.27 0.70 0.00 0.00 175.22 174.50