#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 1.33 1.14 0.00 0.00 -1.26 -4.80 121.76 118.17 2g0k s ALA 2 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 2g0k s ALA 2 Cb 0.00 -0.25 0.21 0.00 0.00 0.00 0.00 23.12 23.08 2g0k s ALA 2 CO 0.00 0.28 0.85 -0.35 0.00 0.00 0.00 175.76 176.54 2g0k n PRO 3 N 2.05 -2.17 -3.40 0.00 -0.04 -1.26 -4.32 135.00 125.86 2g0k n PRO 3 Ca -0.17 -1.34 -0.43 0.00 -0.04 0.00 0.00 63.50 61.52 2g0k n PRO 3 Cb 0.54 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.63 5.19 -0.01 0.52 2.01 -0.74 -2.30 115.64 117.68 2g0k s THR 4 Ca 0.53 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2g0k s THR 4 Cb -0.04 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2g0k s THR 4 CO 0.40 -0.38 -0.16 0.00 -0.69 0.00 0.00 174.62 173.79 2g0k s ALA 5 N 1.85 1.29 -0.39 7.40 0.00 -1.25 0.56 121.76 131.23 2g0k s ALA 5 Ca 0.08 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 2g0k s ALA 5 Cb -0.19 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2g0k s ALA 5 CO 0.11 0.31 0.27 0.95 0.00 0.00 0.00 175.76 177.41 2g0k s THR 6 N -0.39 5.19 0.09 0.00 -4.23 1.10 -4.80 115.64 112.59 2g0k s THR 6 Ca 0.06 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.04 2g0k s THR 6 Cb -0.06 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 2g0k s THR 6 CO -0.00 -0.22 0.07 -0.69 -0.54 0.00 0.00 174.62 173.24 2g0k s VAL 7 N 1.68 4.48 1.20 2.29 1.01 -1.26 -0.21 120.40 129.59 2g0k s VAL 7 Ca 0.05 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2g0k s VAL 7 Cb -0.19 -3.16 0.28 0.00 0.00 0.00 0.00 36.38 33.32 2g0k s VAL 7 CO 0.10 0.11 1.07 0.28 0.00 0.00 0.00 175.10 176.66 2g0k s THR 8 N -1.40 1.64 -0.16 3.92 -1.32 0.44 -4.90 115.64 113.86 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 -0.12 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2g0k s THR 8 CO 0.22 0.00 1.42 -2.16 -2.21 0.00 0.00 174.62 171.89 2g0k s PRO 9 N -5.17 4.11 -0.54 7.08 0.04 -1.26 -4.75 135.00 134.50 2g0k s PRO 9 Ca 0.69 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2g0k s PRO 9 Cb -0.13 -3.88 0.41 0.00 0.04 0.00 0.00 34.50 30.94 2g0k s PRO 9 CO 0.57 -0.88 1.45 -1.13 0.04 0.00 0.00 177.00 177.05 2g0k n SER 10 N 7.15 5.75 -3.90 6.66 3.41 -1.26 -4.89 113.62 126.53 2g0k n SER 10 Ca 0.16 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.75 3.92 0.00 4.04 1.04 -1.19 -1.48 113.70 117.28 2g0k s SER 11 Ca 0.51 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2g0k s SER 11 Cb 0.42 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 65.40 2g0k s SER 11 CO -0.20 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2g0k n GLY 12 N 4.67 1.10 3.71 7.32 0.00 -1.23 -4.76 105.19 116.01 2g0k n GLY 12 Ca -0.08 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 4.04 0.40 0.99 1.43 -1.26 -4.80 118.68 119.48 2g0k s LEU 13 Ca 0.00 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 2g0k s LEU 13 Cb 0.00 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2g0k s LEU 13 CO 0.00 0.23 0.28 -0.94 0.23 0.00 0.00 176.35 176.15 2g0k s SER 14 N 0.02 4.79 0.27 2.29 1.04 -1.26 -4.78 113.70 116.07 2g0k s SER 14 Ca 0.08 -0.86 -0.27 0.00 0.48 0.00 0.00 55.95 55.37 2g0k s SER 14 Cb -0.12 -0.57 -0.15 0.00 0.10 0.00 0.00 66.02 65.28 2g0k s SER 14 CO 0.00 -0.56 0.73 -0.90 0.98 0.00 0.00 173.24 173.49 2g0k n ASP 15 N -1.39 -0.12 0.00 7.02 5.68 -1.26 -1.76 116.55 124.72 2g0k n ASP 15 Ca 0.01 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.42 2g0k n ASP 15 Cb 0.63 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 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 1.64 3.15 3.76 6.12 0.00 -1.25 -5.01 105.19 113.61 2g0k n GLY 16 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.79 3.82 -0.32 2.61 2.01 -0.72 -5.01 115.64 115.24 2g0k s THR 17 Ca 0.00 1.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.66 2g0k s THR 17 Cb 0.00 -4.02 0.05 0.00 0.01 0.00 0.00 72.50 68.55 2g0k s THR 17 CO 0.00 0.30 0.04 0.54 -0.69 0.00 0.00 174.62 174.80 2g0k s VAL 18 N -1.34 3.14 0.75 3.82 0.11 -1.26 -2.97 120.40 122.64 2g0k s VAL 18 Ca 0.47 -1.41 -0.11 0.00 -2.93 0.00 0.00 61.98 57.99 2g0k s VAL 18 Cb -0.26 -2.84 0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2g0k s VAL 18 CO 0.33 -0.18 1.09 0.68 -3.33 0.00 0.00 175.10 173.70 2g0k s VAL 19 N 1.26 3.38 0.11 2.04 -7.23 -0.33 -4.88 120.40 114.74 2g0k s VAL 19 Ca -0.03 0.45 0.09 0.00 -1.81 0.00 0.00 61.98 60.67 2g0k s VAL 19 Cb -0.20 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2g0k s VAL 19 CO -0.01 -0.58 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.27 2g0k s LYS 20 N -5.23 1.81 -0.17 4.82 2.36 -1.26 -1.65 119.74 120.43 2g0k s LYS 20 Ca 0.59 -1.16 -0.04 0.00 -2.55 0.00 0.00 55.97 52.81 2g0k s LYS 20 Cb -0.13 -2.13 0.08 0.00 -1.05 0.00 0.00 37.83 34.61 2g0k s LYS 20 CO 0.53 0.48 0.26 0.54 1.55 0.00 0.00 175.35 178.71 2g0k s VAL 21 N -1.13 -0.40 -0.17 4.02 0.11 -0.51 -0.42 120.40 121.90 2g0k s VAL 21 Ca 0.18 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 2g0k s VAL 21 Cb -0.11 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2g0k s VAL 21 CO 0.10 -0.02 -0.11 0.00 -3.33 0.00 0.00 175.10 171.74 2g0k s ALA 22 N 2.39 1.89 0.31 1.54 0.00 0.71 -2.04 121.76 126.57 2g0k s ALA 22 Ca 0.05 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 2g0k s ALA 22 Cb -0.14 -1.17 -0.09 0.00 0.00 0.00 0.00 23.12 21.72 2g0k s ALA 22 CO -0.10 -0.63 0.79 0.20 0.00 0.00 0.00 175.76 176.02 2g0k s GLY 23 N 1.46 2.47 -0.22 0.00 0.00 -1.03 0.35 107.32 110.35 2g0k s GLY 23 Ca 0.02 0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 2g0k s GLY 23 CO -0.09 0.47 0.34 0.00 0.00 0.00 0.00 173.10 173.81 2g0k s ALA 24 N -1.86 -0.87 0.00 3.20 0.00 2.26 -3.14 121.76 121.36 2g0k s ALA 24 Ca 0.52 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2g0k s ALA 24 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2g0k s ALA 24 CO 0.18 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2g0k n GLY 25 N 5.36 0.99 3.97 0.00 0.00 -1.16 -1.80 105.19 112.54 2g0k n GLY 25 Ca -0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 3.00 -0.06 0.99 1.02 -1.14 -4.74 118.68 117.74 2g0k s LEU 26 Ca 0.00 -0.01 -0.33 0.00 0.02 0.00 0.00 54.13 53.81 2g0k s LEU 26 Cb 0.00 -2.54 -0.11 0.00 0.02 0.00 0.00 46.19 43.56 2g0k s LEU 26 CO 0.00 -1.67 1.92 0.00 0.02 0.00 0.00 176.35 176.62 2g0k n GLN 27 N -2.80 2.35 -2.37 1.70 6.02 -1.26 -4.63 117.38 116.39 2g0k n GLN 27 Ca 0.11 0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 57.54 2g0k n GLN 27 Cb 0.60 -2.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.08 2g0k n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2g0k s ALA 28 N 4.30 3.43 0.00 -1.58 0.00 -1.26 -2.31 121.76 124.34 2g0k s ALA 28 Ca 0.92 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2g0k s ALA 28 Cb -0.62 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2g0k s ALA 28 CO 0.49 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2g0k n GLY 29 N 3.01 0.49 3.85 0.00 0.00 -0.54 -4.94 105.19 107.07 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 -2.16 5.14 0.35 2.61 2.01 -0.98 -4.82 115.64 117.80 2g0k s THR 30 Ca 0.00 0.61 -0.16 0.00 0.31 0.00 0.00 61.69 62.45 2g0k s THR 30 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 2g0k s THR 30 CO 0.00 0.51 0.79 0.00 -0.69 0.00 0.00 174.62 175.23 2g0k s ALA 31 N -1.15 3.26 -0.00 7.40 0.00 -1.26 -1.97 121.76 128.03 2g0k s ALA 31 Ca 0.25 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2g0k s ALA 31 Cb -0.15 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2g0k s ALA 31 CO 0.13 0.26 -0.05 0.71 0.00 0.00 0.00 175.76 176.81 2g0k s TYR 32 N -2.06 0.44 -0.30 0.00 2.02 -0.82 -3.64 117.35 112.98 2g0k s TYR 32 Ca 0.56 -0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 57.04 2g0k s TYR 32 Cb -0.10 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.16 2g0k s TYR 32 CO 0.17 -0.01 0.16 -0.51 -1.57 0.00 0.00 175.55 173.79 2g0k s ASP 33 N -0.23 5.66 0.01 2.29 1.01 5.58 -3.21 116.67 127.78 2g0k s ASP 33 Ca 0.01 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.90 2g0k s ASP 33 Cb -0.02 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 2g0k s ASP 33 CO -0.00 -0.16 0.02 -0.69 0.21 0.00 0.00 175.17 174.55 2g0k s VAL 34 N 1.66 4.28 -0.14 -1.27 1.01 0.29 1.19 120.40 127.40 2g0k s VAL 34 Ca 0.05 -0.61 -0.34 0.00 0.00 0.00 0.00 61.98 61.09 2g0k s VAL 34 Cb -0.17 -2.94 0.13 0.00 0.00 0.00 0.00 36.38 33.41 2g0k s VAL 34 CO 0.07 0.33 1.19 -0.83 0.00 0.00 0.00 175.10 175.87 2g0k s GLY 35 N -1.71 -0.32 -0.27 4.51 0.00 4.20 -0.83 107.32 112.91 2g0k s GLY 35 Ca 0.21 1.39 -0.10 0.00 0.00 0.00 0.00 44.72 46.23 2g0k s GLY 35 CO 0.12 0.45 0.15 1.62 0.00 0.00 0.00 173.10 175.44 2g0k s GLN 36 N -2.49 3.87 0.40 2.90 0.74 -1.25 -1.62 119.66 122.21 2g0k s GLN 36 Ca 0.10 -0.36 0.08 0.00 0.05 0.00 0.00 55.36 55.22 2g0k s GLN 36 Cb -0.00 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 2g0k s GLN 36 CO -0.05 -0.15 0.27 0.00 -0.55 0.00 0.00 175.29 174.81 2g0k s ALA 38 N -2.50 -1.09 0.05 0.00 0.00 0.31 -2.58 121.76 115.96 2g0k s ALA 38 Ca 0.44 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 2g0k s ALA 38 Cb -0.01 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 2g0k s ALA 38 CO 0.25 -0.51 1.68 -0.46 0.00 0.00 0.00 175.76 176.72 2g0k s TRP 39 N 2.01 2.28 -0.22 0.00 -0.00 -1.24 -1.08 118.94 120.70 2g0k s TRP 39 Ca -0.05 0.24 -0.04 0.00 -0.00 0.00 0.00 56.10 56.25 2g0k s TRP 39 Cb -0.10 -3.98 -0.12 0.00 -0.00 0.00 0.00 33.47 29.26 2g0k s TRP 39 CO -0.13 -4.01 -0.23 1.33 -0.00 0.00 0.00 176.95 173.92 2g0k n VAL 40 N 4.89 1.23 -4.18 5.86 0.24 0.35 -4.76 118.33 121.96 2g0k n VAL 40 Ca 0.16 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 2g0k n VAL 40 Cb 0.41 -1.48 -0.10 0.00 -1.47 0.00 0.00 33.84 31.20 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 -6.45 0.57 -0.29 -1.34 1.11 0.27 -5.00 116.67 105.53 2g0k s ASP 41 Ca -0.30 -1.20 -0.35 0.00 0.18 0.00 0.00 52.55 50.88 2g0k s ASP 41 Cb 0.09 0.25 -0.11 0.00 1.07 0.00 0.00 42.92 44.22 2g0k s ASP 41 CO 0.45 -0.69 2.10 0.41 1.18 0.00 0.00 175.17 178.62 2g0k n THR 42 N -0.14 0.27 -0.96 -1.27 -1.04 -1.26 0.17 114.28 110.05 2g0k n THR 42 Ca -0.06 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2g0k n THR 42 Cb 0.64 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g0k n GLY 43 N 5.92 0.33 3.00 3.41 0.00 -1.26 -4.96 105.19 111.63 2g0k n GLY 43 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 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 1.93 0.31 1.61 1.01 0.46 -5.10 120.40 118.86 2g0k s VAL 44 Ca 0.00 -1.64 0.10 0.00 0.00 0.00 0.00 61.98 60.44 2g0k s VAL 44 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2g0k s VAL 44 CO 0.00 -0.20 -0.09 -1.48 0.00 0.00 0.00 175.10 173.33 2g0k s LEU 45 N 1.17 2.83 0.16 3.92 0.05 -1.26 0.95 118.68 126.51 2g0k s LEU 45 Ca -0.03 -0.99 0.07 0.00 0.05 0.00 0.00 54.13 53.23 2g0k s LEU 45 Cb -0.19 -1.25 -0.04 0.00 -2.05 0.00 0.00 46.19 42.65 2g0k s LEU 45 CO -0.07 -0.09 -0.16 0.00 -0.55 0.00 0.00 176.35 175.48 2g0k s ALA 46 N -2.50 1.83 0.21 1.48 0.00 -0.24 -4.01 121.76 118.53 2g0k s ALA 46 Ca 0.32 -1.48 0.11 0.00 0.00 0.00 0.00 51.96 50.91 2g0k s ALA 46 Cb -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2g0k s ALA 46 CO 0.17 0.13 -0.19 0.00 0.00 0.00 0.00 175.76 175.87 2g0k s ASN 48 N -2.89 4.73 0.00 0.00 2.47 -1.04 0.37 114.94 118.57 2g0k s ASN 48 Ca 0.24 -0.94 0.20 0.00 0.42 0.00 0.00 52.86 52.78 2g0k s ASN 48 Cb -0.08 -1.75 1.18 0.00 -1.45 0.00 0.00 41.25 39.16 2g0k s ASN 48 CO 0.12 -0.19 1.57 -0.81 -3.72 0.00 0.00 177.10 174.07 2g0k n PRO 49 N 4.72 0.62 0.00 0.43 -0.04 -1.26 -2.02 135.00 137.45 2g0k n PRO 49 Ca -0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2g0k n PRO 49 Cb 0.46 -1.50 0.23 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 -1.00 3.62 -2.12 0.55 0.00 -1.26 -3.98 120.51 116.31 2g0k n ALA 50 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.25 2g0k n ALA 50 Cb 0.07 -1.09 0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.41 1.09 -4.54 0.00 5.68 -0.85 -5.04 116.55 111.47 2g0k n ASP 51 Ca 0.06 -2.50 -0.43 0.00 -0.50 0.00 0.00 54.79 51.42 2g0k n ASP 51 Cb 0.34 -0.34 -0.04 0.00 -1.14 0.00 0.00 41.12 39.93 2g0k n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2g0k s PHE 52 N -0.92 2.82 0.44 2.11 0.08 -1.20 -3.90 117.98 117.42 2g0k s PHE 52 Ca 0.29 0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.58 2g0k s PHE 52 Cb 0.32 -4.07 0.01 0.00 -0.57 0.00 0.00 43.02 38.70 2g0k s PHE 52 CO -0.11 -1.28 0.50 0.45 -0.10 0.00 0.00 175.22 174.68 2g0k s SER 53 N 2.65 5.28 0.03 1.36 0.15 -0.01 -4.98 113.70 118.18 2g0k s SER 53 Ca 0.34 -0.65 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 2g0k s SER 53 Cb -0.11 -0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2g0k s SER 53 CO 0.22 -0.79 0.15 -0.94 1.20 0.00 0.00 173.24 173.08 2g0k s SER 54 N -4.29 0.08 -0.02 5.45 1.04 -1.26 -2.31 113.70 112.40 2g0k s SER 54 Ca 0.52 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 2g0k s SER 54 Cb -0.06 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.41 2g0k s SER 54 CO 0.31 -0.49 0.87 0.54 0.98 0.00 0.00 173.24 175.45 2g0k s VAL 55 N -2.27 0.00 -0.04 5.02 0.11 -1.20 -4.98 120.40 117.05 2g0k s VAL 55 Ca -0.08 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2g0k s VAL 55 Cb -0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2g0k s VAL 55 CO -0.03 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -2.81 1.27 0.29 5.04 2.01 -1.26 -1.94 115.64 118.24 2g0k s THR 56 Ca 0.03 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2g0k s THR 56 Cb -0.01 -1.10 -0.10 0.00 0.01 0.00 0.00 72.50 71.30 2g0k s THR 56 CO -0.07 0.37 1.15 0.00 -0.69 0.00 0.00 174.62 175.38 2g0k s ALA 57 N 0.07 3.43 1.03 7.40 0.00 -0.83 -4.72 121.76 128.13 2g0k s ALA 57 Ca -0.03 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 52.83 2g0k s ALA 57 Cb -0.11 -3.37 0.12 0.00 0.00 0.00 0.00 23.12 19.77 2g0k s ALA 57 CO 0.02 -0.28 0.62 -0.40 0.00 0.00 0.00 175.76 175.71 2g0k n ASP 58 N 1.10 -0.33 0.28 0.00 5.68 -0.69 -1.46 116.55 121.12 2g0k n ASP 58 Ca -0.01 -1.14 0.14 0.00 -0.50 0.00 0.00 54.79 53.28 2g0k n ASP 58 Cb 0.44 -0.49 0.80 0.00 -1.14 0.00 0.00 41.12 40.73 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 1.39 0.00 2.12 0.00 -1.92 0.11 119.26 118.95 2g0k h ALA 59 Ca -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2g0k h ALA 59 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2g0k h ALA 59 CO 0.14 0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.77 2g0k n ASN 60 N -3.74 0.00 -0.71 0.00 5.15 -1.26 -4.83 115.26 109.88 2g0k n ASN 60 Ca -0.02 0.25 -0.05 0.00 -0.60 0.00 0.00 54.58 54.15 2g0k n ASN 60 Cb 0.17 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 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 0.84 0.26 3.07 8.20 0.00 0.35 -4.78 105.19 113.13 2g0k n GLY 61 Ca 0.08 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.84 1.56 0.33 1.61 1.04 -1.26 -2.87 113.70 111.27 2g0k s SER 62 Ca 0.03 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.28 2g0k s SER 62 Cb -0.01 -0.31 -0.06 0.00 0.10 0.00 0.00 66.02 65.73 2g0k s SER 62 CO 0.04 0.13 -0.01 0.00 0.98 0.00 0.00 173.24 174.37 2g0k s ALA 63 N -0.07 2.59 -0.17 5.32 0.00 -1.19 -1.71 121.76 126.54 2g0k s ALA 63 Ca 0.01 -2.05 -0.07 0.00 0.00 0.00 0.00 51.96 49.84 2g0k s ALA 63 Cb -0.08 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.41 2g0k s ALA 63 CO 0.00 -0.13 0.38 -1.12 0.00 0.00 0.00 175.76 174.88 2g0k s SER 64 N -3.53 -0.29 0.12 0.00 0.01 -1.26 -2.46 113.70 106.30 2g0k s SER 64 Ca 0.33 0.84 -0.24 0.00 1.31 0.00 0.00 55.95 58.19 2g0k s SER 64 Cb 0.06 0.91 0.07 0.00 0.21 0.00 0.00 66.02 67.27 2g0k s SER 64 CO 0.15 -0.21 0.61 -0.89 0.41 0.00 0.00 173.24 173.31 2g0k s THR 65 N 1.91 0.00 -0.12 1.44 2.01 -0.86 -4.95 115.64 115.08 2g0k s THR 65 Ca -0.06 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2g0k s THR 65 Cb -0.10 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 2g0k s THR 65 CO -0.12 -0.01 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.29 2g0k s SER 66 N -2.48 4.49 -0.23 3.53 0.01 -1.26 -1.42 113.70 116.34 2g0k s SER 66 Ca -0.01 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 2g0k s SER 66 Cb -0.01 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 2g0k s SER 66 CO -0.09 0.23 -0.01 -0.22 0.41 0.00 0.00 173.24 173.56 2g0k s LEU 67 N -0.05 3.05 0.00 2.44 1.98 -0.66 -4.90 118.68 120.54 2g0k s LEU 67 Ca -0.00 -0.34 -0.30 0.00 -2.89 0.00 0.00 54.13 50.60 2g0k s LEU 67 Cb -0.14 -1.79 -0.03 0.00 0.66 0.00 0.00 46.19 44.89 2g0k s LEU 67 CO 0.03 -0.02 1.01 0.28 -1.89 0.00 0.00 176.35 175.76 2g0k s THR 68 N 1.50 4.76 -0.10 3.68 -1.32 -1.26 -1.19 115.64 121.70 2g0k s THR 68 Ca 0.06 1.98 -0.02 0.00 -1.21 0.00 0.00 61.69 62.50 2g0k s THR 68 Cb -0.14 -4.27 -0.03 0.00 -1.51 0.00 0.00 72.50 66.54 2g0k s THR 68 CO -0.01 0.15 -0.02 0.54 -2.21 0.00 0.00 174.62 173.07 2g0k s VAL 69 N 1.05 4.13 0.35 5.08 0.11 -1.16 -4.78 120.40 125.18 2g0k s VAL 69 Ca 0.53 -0.30 0.09 0.00 -2.93 0.00 0.00 61.98 59.36 2g0k s VAL 69 Cb -0.22 -2.75 -0.07 0.00 -1.53 0.00 0.00 36.38 31.81 2g0k s VAL 69 CO 0.28 0.57 -0.08 -0.13 -3.33 0.00 0.00 175.10 172.41 2g0k s ARG 70 N -0.50 1.82 0.08 1.54 1.81 -1.26 -3.83 118.95 118.61 2g0k s ARG 70 Ca 0.08 -1.95 0.24 0.00 -1.72 0.00 0.00 55.73 52.38 2g0k s ARG 70 Cb -0.12 -1.67 0.27 0.00 -0.45 0.00 0.00 34.95 32.98 2g0k s ARG 70 CO 0.02 0.11 1.24 -2.13 -0.68 0.00 0.00 175.30 173.86 2g0k n ARG 71 N -0.81 0.25 -3.60 3.54 0.00 -1.26 -4.50 116.66 110.29 2g0k n ARG 71 Ca -0.05 0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 2g0k n ARG 71 Cb 0.64 -1.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.41 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2g0k s SER 72 N -3.96 -0.55 -0.24 6.15 0.01 -1.25 -0.73 113.70 113.13 2g0k s SER 72 Ca 0.06 0.87 -0.32 0.00 1.31 0.00 0.00 55.95 57.87 2g0k s SER 72 Cb 0.14 0.82 0.16 0.00 0.21 0.00 0.00 66.02 67.35 2g0k s SER 72 CO 0.74 -0.32 1.26 0.72 0.41 0.00 0.00 173.24 176.06 2g0k s PHE 73 N -0.35 -0.11 0.06 2.43 -0.12 -0.50 -4.92 117.98 114.46 2g0k s PHE 73 Ca -0.02 0.15 -0.33 0.00 -0.05 0.00 0.00 56.93 56.68 2g0k s PHE 73 Cb -0.03 0.50 -0.12 0.00 -0.63 0.00 0.00 43.02 42.74 2g0k s PHE 73 CO 0.01 -0.13 1.81 -0.85 -0.05 0.00 0.00 175.22 176.00 2g0k n GLU 74 N 0.30 2.47 -2.73 1.99 0.00 -1.26 0.17 120.64 121.57 2g0k n GLU 74 Ca -0.01 0.90 -0.42 0.00 0.00 0.00 0.00 57.16 57.63 2g0k n GLU 74 Cb 0.58 -2.76 -0.03 0.00 0.00 0.00 0.00 31.44 29.23 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 2.89 1.25 -0.66 -1.84 0.00 0.18 -3.95 107.32 105.20 2g0k s GLY 75 Ca 0.85 -1.81 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 2g0k s GLY 75 CO 0.42 2.31 1.09 -1.36 0.00 0.00 0.00 173.10 175.57 2g0k s PHE 76 N 4.58 2.56 0.22 1.90 0.08 1.16 -0.90 117.98 127.56 2g0k s PHE 76 Ca 0.30 -0.18 -0.32 0.00 0.12 0.00 0.00 56.93 56.85 2g0k s PHE 76 Cb -0.11 -4.39 -0.13 0.00 -0.57 0.00 0.00 43.02 37.83 2g0k s PHE 76 CO 0.08 -1.73 1.62 -0.11 -0.10 0.00 0.00 175.22 174.97 2g0k n LEU 77 N 8.30 3.69 -0.34 -0.37 7.94 0.11 0.25 117.00 136.57 2g0k n LEU 77 Ca 0.01 1.09 0.26 0.00 -1.11 0.00 0.00 56.01 56.27 2g0k n LEU 77 Cb 0.47 -1.52 0.56 0.00 0.53 0.00 0.00 43.42 43.46 2g0k n LEU 77 CO 0.67 -0.05 1.23 2.19 -1.11 0.00 0.00 177.39 180.32 2g0k h PHE 78 N 5.80 0.58 0.00 1.96 -5.15 -1.87 1.63 116.94 119.89 2g0k h PHE 78 Ca -0.45 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2g0k h PHE 78 Cb 1.23 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2g0k h PHE 78 CO 0.61 0.01 0.08 0.22 -2.00 0.00 0.00 178.31 177.23 2g0k h ASP 79 N 0.30 0.00 0.00 -0.68 3.58 -1.91 -3.44 116.42 114.27 2g0k h ASP 79 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2g0k h ASP 79 Cb 1.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.82 2g0k h ASP 79 CO -0.29 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.68 2g0k n GLY 80 N -1.24 1.57 3.48 -0.78 0.00 0.56 -5.10 105.19 103.67 2g0k n GLY 80 Ca -0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 2.89 -0.80 2.61 2.01 -1.07 -4.93 115.64 114.36 2g0k s THR 81 Ca 0.00 -1.25 -0.24 0.00 0.31 0.00 0.00 61.69 60.51 2g0k s THR 81 Cb 0.00 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 70.31 2g0k s THR 81 CO 0.00 0.26 1.19 -0.60 -0.69 0.00 0.00 174.62 174.78 2g0k s ARG 82 N -1.68 3.30 0.17 4.92 3.52 -1.26 0.06 118.95 127.98 2g0k s ARG 82 Ca 0.16 -0.83 -0.12 0.00 -0.13 0.00 0.00 55.73 54.81 2g0k s ARG 82 Cb -0.11 -4.54 0.07 0.00 -1.56 0.00 0.00 34.95 28.82 2g0k s ARG 82 CO 0.07 -2.00 1.72 2.35 -0.81 0.00 0.00 175.30 176.63 2g0k h TRP 83 N 9.66 0.89 0.00 5.12 2.91 -1.39 -3.48 115.95 129.66 2g0k h TRP 83 Ca -0.12 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.82 2g0k h TRP 83 Cb 1.04 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 2g0k h TRP 83 CO 1.11 0.73 0.00 0.41 -1.03 0.00 0.00 178.44 179.66 2g0k n GLY 84 N -0.79 1.60 3.70 2.65 0.00 -1.23 -4.94 105.19 106.19 2g0k n GLY 84 Ca 0.03 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.42 1.11 -4.30 2.61 -1.04 -1.26 0.52 114.28 110.49 2g0k n THR 85 Ca 0.00 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.05 61.47 2g0k n THR 85 Cb 0.00 -1.65 -0.09 0.00 -1.82 0.00 0.00 70.33 66.76 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 -0.18 3.13 -0.31 12.58 1.01 0.13 -4.76 120.40 132.00 2g0k s VAL 86 Ca 0.65 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2g0k s VAL 86 Cb -0.59 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.33 2g0k s VAL 86 CO 0.51 -0.14 0.07 -1.81 0.00 0.00 0.00 175.10 173.73 2g0k s ASP 87 N -2.89 4.20 0.56 3.32 1.01 -1.26 -1.41 116.67 120.19 2g0k s ASP 87 Ca 0.25 -1.72 0.28 0.00 0.71 0.00 0.00 52.55 52.07 2g0k s ASP 87 Cb -0.08 -1.12 1.47 0.00 1.01 0.00 0.00 42.92 44.20 2g0k s ASP 87 CO 0.15 -0.38 1.95 0.00 0.21 0.00 0.00 175.17 177.10 2g0k n THR 89 N -4.05 0.02 -0.01 0.00 -2.24 -1.25 -3.24 114.28 103.51 2g0k n THR 89 Ca 0.10 0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.88 2g0k n THR 89 Cb 0.67 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.20 -4.35 4.28 -1.04 0.50 -5.07 114.28 107.68 2g0k n THR 90 Ca 0.19 -0.15 -0.17 0.00 -2.04 0.00 0.00 64.05 61.88 2g0k n THR 90 Cb 0.16 -0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 68.04 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 0.35 -2.76 2.41 0.00 0.40 -5.04 120.51 113.86 2g0k n ALA 91 Ca -0.05 -1.35 -0.37 0.00 0.00 0.00 0.00 53.44 51.67 2g0k n ALA 91 Cb 0.50 0.88 -0.11 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.69 3.45 0.11 0.00 0.00 -1.26 -4.56 121.76 116.81 2g0k s ALA 92 Ca 0.11 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2g0k s ALA 92 Cb 0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2g0k s ALA 92 CO 0.08 -0.29 0.14 0.00 0.00 0.00 0.00 175.76 175.68 2g0k s GLN 94 N -2.74 0.47 0.08 0.00 -2.07 -1.06 0.88 119.66 115.21 2g0k s GLN 94 Ca 0.31 -0.31 0.07 0.00 -1.82 0.00 0.00 55.36 53.61 2g0k s GLN 94 Cb -0.11 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2g0k s GLN 94 CO 0.24 -0.11 -0.14 0.08 -1.32 0.00 0.00 175.29 174.04 2g0k s VAL 95 N -1.22 3.13 -0.05 3.63 1.01 -0.84 -1.13 120.40 124.93 2g0k s VAL 95 Ca -0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.29 2g0k s VAL 95 Cb -0.07 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 34.02 2g0k s VAL 95 CO 0.02 0.19 1.35 -0.83 0.00 0.00 0.00 175.10 175.82 2g0k s GLY 96 N -1.93 -0.34 0.21 4.51 0.00 -0.64 -3.45 107.32 105.69 2g0k s GLY 96 Ca 0.18 0.53 0.08 0.00 0.00 0.00 0.00 44.72 45.52 2g0k s GLY 96 CO 0.10 2.53 -0.15 0.48 0.00 0.00 0.00 173.10 176.06 2g0k s LEU 97 N -3.34 2.56 0.04 0.66 2.34 1.14 0.79 118.68 122.87 2g0k s LEU 97 Ca 0.21 -1.02 -0.00 0.00 0.06 0.00 0.00 54.13 53.38 2g0k s LEU 97 Cb 0.04 -0.73 -0.03 0.00 -0.56 0.00 0.00 46.19 44.90 2g0k s LEU 97 CO -0.04 -0.14 -0.03 -0.44 -1.06 0.00 0.00 176.35 174.64 2g0k s SER 98 N -3.33 0.47 0.00 1.48 0.01 9.55 -2.79 113.70 119.10 2g0k s SER 98 Ca 0.23 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2g0k s SER 98 Cb -0.01 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2g0k s SER 98 CO 0.08 -0.50 0.00 -0.90 0.41 0.00 0.00 173.24 172.33 2g0k n ASP 99 N 0.55 1.01 -0.07 2.44 5.75 -0.54 0.91 116.55 126.60 2g0k n ASP 99 Ca -0.17 -0.55 -0.07 0.00 -0.01 0.00 0.00 54.79 53.99 2g0k n ASP 99 Cb 0.59 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.42 0.25 0.00 2.12 0.00 -1.91 -0.51 119.26 119.62 2g0k h ALA 100 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2g0k h ALA 100 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2g0k h ALA 100 CO 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 179.25 178.55 2g0k h ALA 101 N 1.23 1.05 -0.01 0.00 0.00 -1.95 -3.46 119.26 116.11 2g0k h ALA 101 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 101 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2g0k h ALA 101 CO -0.22 0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2g0k n GLY 102 N 0.08 1.04 3.59 0.00 0.00 -0.20 -5.12 105.19 104.59 2g0k n GLY 102 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 4.37 0.11 1.61 4.22 -1.26 -4.67 114.94 117.30 2g0k s ASN 103 Ca 0.00 -0.53 -0.05 0.00 -2.14 0.00 0.00 52.86 50.14 2g0k s ASN 103 Cb 0.00 -0.79 0.02 0.00 1.28 0.00 0.00 41.25 41.76 2g0k s ASN 103 CO 0.00 0.10 0.26 0.61 -2.04 0.00 0.00 177.10 176.04 2g0k n GLY 104 N 0.03 1.55 3.79 0.45 0.00 -1.25 -1.47 105.19 108.28 2g0k n GLY 104 Ca -0.11 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.03 2.75 -0.47 1.61 0.04 -1.26 -4.44 135.00 131.21 2g0k s PRO 105 Ca 0.05 1.13 -0.43 0.00 0.04 0.00 0.00 61.00 61.79 2g0k s PRO 105 Cb -0.01 -1.96 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 2g0k s PRO 105 CO 0.03 -1.25 1.63 0.39 0.04 0.00 0.00 177.00 177.84 2g0k n GLU 106 N -2.98 0.00 -0.94 4.56 1.02 -0.97 -4.56 120.64 116.77 2g0k n GLU 106 Ca 0.09 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.92 2g0k n GLU 106 Cb 0.53 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.57 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 4.62 -2.96 2.89 0.62 0.00 -1.26 -4.82 105.19 104.28 2g0k n GLY 107 Ca 0.35 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.61 1.40 0.06 1.61 1.01 -1.22 -5.07 120.40 116.58 2g0k s VAL 108 Ca 0.41 -1.34 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 2g0k s VAL 108 Cb -0.32 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2g0k s VAL 108 CO 0.57 -0.29 0.85 0.00 0.00 0.00 0.00 175.10 176.24 2g0k s ALA 109 N 1.42 3.30 0.31 5.51 0.00 -1.26 -1.99 121.76 129.05 2g0k s ALA 109 Ca -0.00 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.43 2g0k s ALA 109 Cb -0.18 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2g0k s ALA 109 CO -0.10 -0.01 0.36 0.42 0.00 0.00 0.00 175.76 176.44 2g0k s ILE 110 N 0.11 4.10 -0.11 0.00 1.01 0.25 -4.94 121.20 121.62 2g0k s ILE 110 Ca 0.43 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2g0k s ILE 110 Cb -0.21 -3.39 0.05 0.00 0.01 0.00 0.00 42.46 38.92 2g0k s ILE 110 CO 0.26 -0.21 0.23 -0.55 0.00 0.00 0.00 174.94 174.66 2g0k s SER 111 N -4.05 0.25 -0.18 3.58 0.15 -0.55 -4.17 113.70 108.73 2g0k s SER 111 Ca 0.41 0.49 -0.15 0.00 0.70 0.00 0.00 55.95 57.40 2g0k s SER 111 Cb -0.08 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2g0k s SER 111 CO 0.29 -0.21 0.34 -0.36 1.20 0.00 0.00 173.24 174.50 2g0k s PHE 112 N 2.00 3.41 0.00 3.44 0.40 -1.26 -3.15 117.98 122.82 2g0k s PHE 112 Ca -0.02 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 2g0k s PHE 112 Cb -0.12 -2.44 0.00 0.00 0.51 0.00 0.00 43.02 40.98 2g0k s PHE 112 CO -0.08 0.10 0.00 0.27 0.70 0.00 0.00 175.22 176.21