#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 3.64 1.15 0.00 0.00 -1.26 -4.63 121.76 120.66 2g0k s ALA 2 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 2g0k s ALA 2 Cb 0.00 -3.59 0.23 0.00 0.00 0.00 0.00 23.12 19.75 2g0k s ALA 2 CO 0.00 -1.18 0.91 -0.35 0.00 0.00 0.00 175.76 175.14 2g0k n PRO 3 N 6.51 -2.28 -3.39 0.00 -0.04 -1.26 -3.73 135.00 130.80 2g0k n PRO 3 Ca 0.12 -1.44 -0.43 0.00 -0.04 0.00 0.00 63.50 61.71 2g0k n PRO 3 Cb 0.46 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.75 5.18 0.27 0.52 2.01 0.27 -2.54 115.64 118.60 2g0k s THR 4 Ca 0.57 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2g0k s THR 4 Cb -0.05 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 2g0k s THR 4 CO 0.43 -0.39 -0.08 0.00 -0.69 0.00 0.00 174.62 173.88 2g0k s ALA 5 N 1.89 2.34 -0.16 7.40 0.00 -1.23 0.75 121.76 132.75 2g0k s ALA 5 Ca 0.08 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 2g0k s ALA 5 Cb -0.19 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2g0k s ALA 5 CO 0.11 -0.02 -0.05 0.95 0.00 0.00 0.00 175.76 176.75 2g0k s THR 6 N -2.96 1.05 0.09 0.00 -4.23 0.62 -4.86 115.64 105.36 2g0k s THR 6 Ca 0.28 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 2g0k s THR 6 Cb 0.02 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 2g0k s THR 6 CO 0.11 0.14 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.59 2g0k s VAL 7 N 1.66 3.65 1.04 2.29 1.01 -1.24 -1.11 120.40 127.72 2g0k s VAL 7 Ca 0.01 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2g0k s VAL 7 Cb -0.15 -2.71 0.21 0.00 0.00 0.00 0.00 36.38 33.73 2g0k s VAL 7 CO -0.08 0.14 1.09 0.28 0.00 0.00 0.00 175.10 176.53 2g0k s THR 8 N -1.24 1.94 -0.20 3.92 -1.32 -0.57 -4.85 115.64 113.32 2g0k s THR 8 Ca 0.23 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.42 2g0k s THR 8 Cb -0.11 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 2g0k s THR 8 CO 0.15 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.85 2g0k s PRO 9 N -5.03 4.01 -0.03 7.08 0.04 -1.26 -4.63 135.00 135.18 2g0k s PRO 9 Ca 0.66 1.64 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2g0k s PRO 9 Cb -0.17 -3.91 0.06 0.00 0.04 0.00 0.00 34.50 30.51 2g0k s PRO 9 CO 0.58 -1.02 0.91 0.45 0.04 0.00 0.00 177.00 177.96 2g0k n SER 10 N 7.52 1.34 -4.51 6.66 2.88 -1.26 -4.93 113.62 121.33 2g0k n SER 10 Ca 0.16 -1.97 -0.43 0.00 -1.33 0.00 0.00 58.87 55.30 2g0k n SER 10 Cb 0.45 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.14 6.32 0.00 -3.46 1.04 -1.25 -3.63 113.70 111.58 2g0k s SER 11 Ca 0.07 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2g0k s SER 11 Cb 0.06 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2g0k s SER 11 CO 0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2g0k n GLY 12 N 5.07 0.99 3.77 7.32 0.00 -1.15 -4.78 105.19 116.42 2g0k n GLY 12 Ca -0.02 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.95 0.56 0.99 1.43 -1.24 -4.71 118.68 119.66 2g0k s LEU 13 Ca 0.00 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2g0k s LEU 13 Cb 0.00 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.32 2g0k s LEU 13 CO 0.00 0.38 0.78 -0.94 0.23 0.00 0.00 176.35 176.80 2g0k s SER 14 N -1.02 5.12 0.71 2.29 1.04 -1.26 -4.86 113.70 115.72 2g0k s SER 14 Ca 0.15 -0.33 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 2g0k s SER 14 Cb -0.12 -0.42 -0.08 0.00 0.10 0.00 0.00 66.02 65.50 2g0k s SER 14 CO 0.04 -1.26 0.19 -0.90 0.98 0.00 0.00 173.24 172.29 2g0k n ASP 15 N -2.33 -2.45 0.00 7.02 5.75 -1.26 -2.28 116.55 121.01 2g0k n ASP 15 Ca 0.11 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 2g0k n ASP 15 Cb 0.60 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g0k n GLY 16 N 2.10 3.15 3.78 6.12 0.00 -1.24 -5.01 105.19 114.08 2g0k n GLY 16 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.32 3.35 -0.08 2.61 2.01 -0.96 -4.95 115.64 115.30 2g0k s THR 17 Ca 0.00 0.86 0.05 0.00 0.31 0.00 0.00 61.69 62.91 2g0k s THR 17 Cb 0.00 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 2g0k s THR 17 CO 0.00 -0.17 -0.24 0.54 -0.69 0.00 0.00 174.62 174.06 2g0k s VAL 18 N -1.81 2.01 0.16 3.82 0.11 -1.26 -2.32 120.40 121.10 2g0k s VAL 18 Ca 0.70 -1.02 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 2g0k s VAL 18 Cb -0.22 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 2g0k s VAL 18 CO 0.25 0.55 -0.03 0.68 -3.33 0.00 0.00 175.10 173.23 2g0k s VAL 19 N 0.10 3.61 0.13 2.04 -7.23 -0.30 -4.96 120.40 113.80 2g0k s VAL 19 Ca -0.11 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2g0k s VAL 19 Cb -0.16 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 2g0k s VAL 19 CO 0.06 -0.06 0.07 -0.75 -0.31 0.00 0.00 175.10 174.11 2g0k s LYS 20 N -2.76 2.72 -0.21 4.82 2.36 -1.26 -0.88 119.74 124.53 2g0k s LYS 20 Ca 0.26 -0.88 -0.04 0.00 -2.55 0.00 0.00 55.97 52.77 2g0k s LYS 20 Cb -0.10 -2.58 0.09 0.00 -1.05 0.00 0.00 37.83 34.20 2g0k s LYS 20 CO 0.17 0.51 0.22 0.54 1.55 0.00 0.00 175.35 178.34 2g0k s VAL 21 N -1.58 -0.32 -0.22 4.02 0.11 0.21 -1.51 120.40 121.10 2g0k s VAL 21 Ca 0.29 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2g0k s VAL 21 Cb -0.11 -0.70 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2g0k s VAL 21 CO 0.21 -0.23 -0.15 0.00 -3.33 0.00 0.00 175.10 171.60 2g0k s ALA 22 N 2.32 2.44 0.28 1.54 0.00 -0.26 -1.24 121.76 126.83 2g0k s ALA 22 Ca 0.07 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.33 2g0k s ALA 22 Cb -0.16 -1.40 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 2g0k s ALA 22 CO -0.13 -0.82 0.77 0.20 0.00 0.00 0.00 175.76 175.77 2g0k s GLY 23 N 1.20 2.54 -0.15 0.00 0.00 -0.69 0.23 107.32 110.44 2g0k s GLY 23 Ca -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 2g0k s GLY 23 CO -0.09 0.51 0.16 0.00 0.00 0.00 0.00 173.10 173.68 2g0k s ALA 24 N -1.71 -0.02 0.00 3.20 0.00 3.82 -2.60 121.76 124.46 2g0k s ALA 24 Ca 0.48 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2g0k s ALA 24 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2g0k s ALA 24 CO 0.20 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2g0k n GLY 25 N 5.31 1.02 3.94 0.00 0.00 -1.02 0.97 105.19 115.41 2g0k n GLY 25 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 3.37 -0.24 0.99 1.02 -0.62 -4.75 118.68 118.44 2g0k s LEU 26 Ca 0.00 0.41 -0.39 0.00 0.02 0.00 0.00 54.13 54.18 2g0k s LEU 26 Cb 0.00 -3.25 -0.15 0.00 0.02 0.00 0.00 46.19 42.81 2g0k s LEU 26 CO 0.00 -0.98 1.79 0.00 0.02 0.00 0.00 176.35 177.18 2g0k n GLN 27 N -2.38 1.38 -2.40 1.70 3.00 -1.26 -4.40 117.38 113.02 2g0k n GLN 27 Ca 0.04 0.50 -0.41 0.00 -0.01 0.00 0.00 57.00 57.12 2g0k n GLN 27 Cb 0.58 -2.23 -0.03 0.00 0.00 0.00 0.00 30.24 28.55 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 3.77 3.42 0.00 -1.58 0.00 -1.26 -2.41 121.76 123.70 2g0k s ALA 28 Ca 0.98 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2g0k s ALA 28 Cb -0.99 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2g0k s ALA 28 CO 0.63 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.44 2g0k n GLY 29 N 2.24 0.35 3.88 0.00 0.00 0.30 -4.91 105.19 107.05 2g0k n GLY 29 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.82 5.18 0.30 2.61 2.01 -1.01 -4.82 115.64 118.08 2g0k s THR 30 Ca 0.00 0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 2g0k s THR 30 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 2g0k s THR 30 CO 0.00 0.28 0.66 0.00 -0.69 0.00 0.00 174.62 174.87 2g0k s ALA 31 N -1.40 3.43 0.07 7.40 0.00 -1.26 -1.37 121.76 128.63 2g0k s ALA 31 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2g0k s ALA 31 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2g0k s ALA 31 CO 0.19 0.34 -0.05 0.71 0.00 0.00 0.00 175.76 176.94 2g0k s TYR 32 N -1.99 0.68 -0.20 0.00 2.02 -0.09 -4.60 117.35 113.17 2g0k s TYR 32 Ca 0.51 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2g0k s TYR 32 Cb -0.11 -0.44 0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2g0k s TYR 32 CO 0.22 -0.26 -0.11 0.34 -1.57 0.00 0.00 175.55 174.17 2g0k s ASP 33 N -2.86 3.37 -0.02 2.29 2.15 -0.57 -2.66 116.67 118.38 2g0k s ASP 33 Ca 0.07 -0.87 -0.09 0.00 0.43 0.00 0.00 52.55 52.09 2g0k s ASP 33 Cb 0.05 -1.25 -0.05 0.00 -0.30 0.00 0.00 42.92 41.37 2g0k s ASP 33 CO -0.07 -0.14 0.29 -0.69 -0.17 0.00 0.00 175.17 174.40 2g0k s VAL 34 N 1.39 5.25 0.21 1.11 1.01 -0.70 0.88 120.40 129.55 2g0k s VAL 34 Ca -0.01 0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 2g0k s VAL 34 Cb -0.16 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2g0k s VAL 34 CO -0.08 0.48 0.64 -0.83 0.00 0.00 0.00 175.10 175.30 2g0k s GLY 35 N -1.37 -0.33 -0.28 4.51 0.00 1.06 0.26 107.32 111.17 2g0k s GLY 35 Ca 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 2g0k s GLY 35 CO 0.13 0.00 -0.04 1.62 0.00 0.00 0.00 173.10 174.80 2g0k s GLN 36 N -3.84 2.49 0.47 2.90 0.74 -1.26 -0.64 119.66 120.52 2g0k s GLN 36 Ca 0.06 -1.21 0.07 0.00 0.05 0.00 0.00 55.36 54.33 2g0k s GLN 36 Cb -0.03 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.03 2g0k s GLN 36 CO -0.04 -0.55 0.40 0.00 -0.55 0.00 0.00 175.29 174.55 2g0k s ALA 38 N -2.59 -0.87 -0.09 0.00 0.00 0.11 -1.94 121.76 116.38 2g0k s ALA 38 Ca 0.44 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.38 2g0k s ALA 38 Cb -0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 2g0k s ALA 38 CO 0.26 -0.52 1.80 -0.46 0.00 0.00 0.00 175.76 176.84 2g0k s TRP 39 N 2.07 1.71 -0.24 0.00 -0.00 -1.25 -0.32 118.94 120.91 2g0k s TRP 39 Ca -0.04 0.15 -0.05 0.00 -0.00 0.00 0.00 56.10 56.16 2g0k s TRP 39 Cb -0.11 -4.02 -0.17 0.00 -0.00 0.00 0.00 33.47 29.17 2g0k s TRP 39 CO -0.11 -4.12 -0.16 1.33 -0.00 0.00 0.00 176.95 173.89 2g0k n VAL 40 N 6.02 1.54 -4.38 5.86 0.24 0.95 -4.83 118.33 123.74 2g0k n VAL 40 Ca 0.20 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 2g0k n VAL 40 Cb 0.43 -1.62 -0.08 0.00 -1.47 0.00 0.00 33.84 31.10 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 -6.87 2.05 -0.19 -1.34 1.11 0.18 -5.00 116.67 106.61 2g0k s ASP 41 Ca -0.34 -1.69 -0.28 0.00 0.18 0.00 0.00 52.55 50.42 2g0k s ASP 41 Cb 0.10 0.51 -0.05 0.00 1.07 0.00 0.00 42.92 44.55 2g0k s ASP 41 CO 0.59 -0.98 2.11 -0.89 1.18 0.00 0.00 175.17 177.18 2g0k s THR 42 N -3.40 3.09 0.00 -1.27 2.01 -1.26 -0.58 115.64 114.22 2g0k s THR 42 Ca 0.33 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2g0k s THR 42 Cb 0.03 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.44 2g0k s THR 42 CO 0.20 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2g0k n GLY 43 N 5.47 0.32 3.04 4.40 0.00 -1.26 -4.97 105.19 112.20 2g0k n GLY 43 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 1.99 -0.02 1.61 1.01 0.25 -5.08 120.40 118.43 2g0k s VAL 44 Ca 0.00 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.59 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 0.01 -0.18 -1.48 0.00 0.00 0.00 175.10 173.46 2g0k s LEU 45 N 1.20 2.02 0.06 3.92 2.34 -1.26 0.47 118.68 127.43 2g0k s LEU 45 Ca -0.07 -0.32 -0.10 0.00 0.06 0.00 0.00 54.13 53.70 2g0k s LEU 45 Cb -0.19 -0.92 -0.06 0.00 -0.56 0.00 0.00 46.19 44.46 2g0k s LEU 45 CO -0.06 0.21 0.38 0.00 -1.06 0.00 0.00 176.35 175.82 2g0k s ALA 46 N -0.38 3.74 0.04 1.48 0.00 0.56 -3.38 121.76 123.83 2g0k s ALA 46 Ca 0.06 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.67 2g0k s ALA 46 Cb -0.07 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2g0k s ALA 46 CO -0.00 0.57 -0.04 0.00 0.00 0.00 0.00 175.76 176.28 2g0k s ASN 48 N -1.83 5.53 0.00 0.00 2.47 -1.00 0.61 114.94 120.73 2g0k s ASN 48 Ca 0.21 -1.28 0.19 0.00 0.42 0.00 0.00 52.86 52.39 2g0k s ASN 48 Cb -0.11 -1.95 1.11 0.00 -1.45 0.00 0.00 41.25 38.85 2g0k s ASN 48 CO 0.12 -0.43 1.51 -0.81 -3.72 0.00 0.00 177.10 173.77 2g0k n PRO 49 N 4.88 0.62 0.05 0.43 -0.04 -1.26 -2.12 135.00 137.56 2g0k n PRO 49 Ca -0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2g0k n PRO 49 Cb 0.44 -1.47 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.97 2.96 -1.78 0.55 0.00 -1.26 -3.83 120.51 116.19 2g0k n ALA 50 Ca 0.14 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.39 2g0k n ALA 50 Cb 0.06 -1.18 0.14 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.02 1.52 -4.55 0.00 5.68 -0.90 -5.01 116.55 111.28 2g0k n ASP 51 Ca 0.04 -3.23 -0.42 0.00 -0.50 0.00 0.00 54.79 50.67 2g0k n ASP 51 Cb 0.42 -0.44 -0.03 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 -2.22 2.69 0.56 2.11 0.08 -1.23 -4.11 117.98 115.86 2g0k s PHE 52 Ca 0.34 0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.62 2g0k s PHE 52 Cb 0.34 -4.29 0.07 0.00 -0.57 0.00 0.00 43.02 38.57 2g0k s PHE 52 CO -0.08 -1.49 0.66 0.45 -0.10 0.00 0.00 175.22 174.66 2g0k s SER 53 N 2.96 4.97 0.06 1.36 0.15 0.14 -4.97 113.70 118.36 2g0k s SER 53 Ca 0.36 -0.96 -0.09 0.00 0.70 0.00 0.00 55.95 55.95 2g0k s SER 53 Cb -0.10 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2g0k s SER 53 CO 0.21 -1.25 0.20 -0.94 1.20 0.00 0.00 173.24 172.67 2g0k s SER 54 N -4.53 0.06 -0.02 5.45 1.04 -1.26 -1.73 113.70 112.70 2g0k s SER 54 Ca 0.53 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 2g0k s SER 54 Cb -0.05 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.49 2g0k s SER 54 CO 0.33 -0.63 0.92 0.54 0.98 0.00 0.00 173.24 175.38 2g0k s VAL 55 N -3.08 0.00 -0.02 5.02 0.11 -1.09 -4.92 120.40 116.42 2g0k s VAL 55 Ca -0.01 -0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 2g0k s VAL 55 Cb 0.01 -1.02 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2g0k s VAL 55 CO -0.07 0.00 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.65 2g0k s THR 56 N -3.06 1.33 0.31 5.04 2.01 -1.26 -0.91 115.64 119.10 2g0k s THR 56 Ca 0.05 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 2g0k s THR 56 Cb -0.01 -1.12 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 2g0k s THR 56 CO -0.08 0.38 0.95 0.00 -0.69 0.00 0.00 174.62 175.18 2g0k s ALA 57 N -0.23 3.23 0.99 7.40 0.00 -0.47 -4.66 121.76 128.02 2g0k s ALA 57 Ca 0.03 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 2g0k s ALA 57 Cb -0.08 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2g0k s ALA 57 CO 0.00 0.17 0.14 -0.40 0.00 0.00 0.00 175.76 175.67 2g0k n ASP 58 N 0.71 0.01 0.26 0.00 5.68 -0.77 -0.54 116.55 121.90 2g0k n ASP 58 Ca 0.01 -1.05 0.11 0.00 -0.50 0.00 0.00 54.79 53.36 2g0k n ASP 58 Cb 0.49 -0.11 0.69 0.00 -1.14 0.00 0.00 41.12 41.05 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 -1.95 1.40 0.00 2.12 0.00 -1.91 0.34 119.26 119.27 2g0k h ALA 59 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2g0k h ALA 59 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2g0k h ALA 59 CO 0.03 0.16 0.00 -1.71 0.00 0.00 0.00 179.25 177.73 2g0k n ASN 60 N -3.82 0.01 -0.42 0.00 5.15 -1.26 -4.80 115.26 110.12 2g0k n ASN 60 Ca -0.02 0.50 -0.03 0.00 -0.60 0.00 0.00 54.58 54.43 2g0k n ASN 60 Cb 0.23 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 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 0.80 0.30 3.12 8.20 0.00 0.04 -4.68 105.19 112.97 2g0k n GLY 61 Ca 0.05 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.88 1.90 0.33 1.61 1.04 -1.26 -1.59 113.70 112.85 2g0k s SER 62 Ca 0.01 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2g0k s SER 62 Cb -0.00 -0.40 -0.07 0.00 0.10 0.00 0.00 66.02 65.65 2g0k s SER 62 CO 0.01 0.16 0.01 0.00 0.98 0.00 0.00 173.24 174.40 2g0k s ALA 63 N -0.11 2.54 -0.16 5.32 0.00 -1.07 -1.84 121.76 126.45 2g0k s ALA 63 Ca 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 51.96 49.81 2g0k s ALA 63 Cb -0.09 0.40 0.06 0.00 0.00 0.00 0.00 23.12 23.49 2g0k s ALA 63 CO 0.01 -0.19 0.38 -1.12 0.00 0.00 0.00 175.76 174.84 2g0k s SER 64 N -3.52 -0.41 0.16 0.00 0.01 -1.26 -1.71 113.70 106.96 2g0k s SER 64 Ca 0.34 0.83 -0.16 0.00 1.31 0.00 0.00 55.95 58.27 2g0k s SER 64 Cb 0.07 0.77 0.03 0.00 0.21 0.00 0.00 66.02 67.10 2g0k s SER 64 CO 0.15 -0.20 0.44 -0.89 0.41 0.00 0.00 173.24 173.16 2g0k s THR 65 N 1.55 0.05 -0.20 1.44 2.01 -0.37 -4.93 115.64 115.19 2g0k s THR 65 Ca -0.08 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2g0k s THR 65 Cb -0.09 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2g0k s THR 65 CO -0.12 -0.23 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.03 2g0k s SER 66 N -2.84 3.76 -0.14 3.53 0.01 -1.26 -0.62 113.70 116.14 2g0k s SER 66 Ca 0.07 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 2g0k s SER 66 Cb 0.01 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.58 2g0k s SER 66 CO -0.07 -0.02 0.23 -0.22 0.41 0.00 0.00 173.24 173.57 2g0k s LEU 67 N 1.38 4.31 0.11 2.44 0.20 -0.05 -4.92 118.68 122.14 2g0k s LEU 67 Ca 0.05 0.50 -0.30 0.00 0.69 0.00 0.00 54.13 55.07 2g0k s LEU 67 Cb -0.14 -2.26 -0.06 0.00 -0.43 0.00 0.00 46.19 43.30 2g0k s LEU 67 CO -0.08 0.23 0.97 0.28 -0.29 0.00 0.00 176.35 177.46 2g0k s THR 68 N -0.15 4.47 -0.22 3.68 -1.32 -1.26 -1.15 115.64 119.70 2g0k s THR 68 Ca 0.15 2.05 -0.16 0.00 -1.21 0.00 0.00 61.69 62.52 2g0k s THR 68 Cb -0.13 -4.31 -0.04 0.00 -1.51 0.00 0.00 72.50 66.52 2g0k s THR 68 CO 0.04 0.31 0.41 -0.69 -2.21 0.00 0.00 174.62 172.48 2g0k s VAL 69 N 0.01 5.18 0.01 5.08 1.01 -0.98 -4.92 120.40 125.80 2g0k s VAL 69 Ca 0.47 0.71 0.07 0.00 0.00 0.00 0.00 61.98 63.23 2g0k s VAL 69 Cb -0.24 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2g0k s VAL 69 CO 0.30 0.22 -0.20 -0.13 0.00 0.00 0.00 175.10 175.29 2g0k s ARG 70 N 1.50 2.12 0.21 2.72 3.00 -1.26 -3.67 118.95 123.56 2g0k s ARG 70 Ca 0.19 -0.94 0.13 0.00 0.00 0.00 0.00 55.73 55.11 2g0k s ARG 70 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 34.95 32.60 2g0k s ARG 70 CO 0.08 0.56 1.33 -0.09 0.00 0.00 0.00 175.30 177.18 2g0k h ARG 71 N 4.93 0.00 -2.45 3.54 2.43 -1.89 -3.41 114.38 117.52 2g0k h ARG 71 Ca -0.46 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 2g0k h ARG 71 Cb 1.15 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.50 2g0k h ARG 71 CO 0.47 0.64 -0.01 -1.12 -1.51 0.00 0.00 179.97 178.44 2g0k s SER 72 N -6.48 -0.46 -0.17 -3.80 0.01 -1.26 0.35 113.70 101.89 2g0k s SER 72 Ca 0.02 0.45 -0.33 0.00 1.31 0.00 0.00 55.95 57.40 2g0k s SER 72 Cb 0.08 0.45 0.14 0.00 0.21 0.00 0.00 66.02 66.90 2g0k s SER 72 CO 0.77 -0.53 1.16 0.72 0.41 0.00 0.00 173.24 175.77 2g0k s PHE 73 N -1.23 -0.18 -0.09 2.43 -0.12 -0.81 -4.95 117.98 113.04 2g0k s PHE 73 Ca -0.12 0.16 -0.32 0.00 -0.05 0.00 0.00 56.93 56.60 2g0k s PHE 73 Cb -0.02 0.51 -0.10 0.00 -0.63 0.00 0.00 43.02 42.78 2g0k s PHE 73 CO 0.07 -0.25 2.00 -0.85 -0.05 0.00 0.00 175.22 176.15 2g0k n GLU 74 N 0.04 2.30 -2.42 1.99 0.00 -1.26 0.37 120.64 121.65 2g0k n GLU 74 Ca -0.02 0.80 -0.38 0.00 0.00 0.00 0.00 57.16 57.56 2g0k n GLU 74 Cb 0.59 -2.86 -0.03 0.00 0.00 0.00 0.00 31.44 29.13 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 5.22 0.88 -0.70 -1.84 0.00 0.11 -3.99 107.32 107.00 2g0k s GLY 75 Ca 0.94 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 43.65 2g0k s GLY 75 CO 0.45 2.89 1.12 -1.36 0.00 0.00 0.00 173.10 176.20 2g0k s PHE 76 N 6.44 2.48 0.19 1.90 0.08 0.20 -0.64 117.98 128.63 2g0k s PHE 76 Ca 0.50 -0.32 -0.33 0.00 0.12 0.00 0.00 56.93 56.90 2g0k s PHE 76 Cb -0.04 -4.46 -0.13 0.00 -0.57 0.00 0.00 43.02 37.82 2g0k s PHE 76 CO 0.00 -1.86 1.62 -0.11 -0.10 0.00 0.00 175.22 174.78 2g0k n LEU 77 N 8.52 3.45 -0.35 -0.37 7.94 0.11 0.17 117.00 136.47 2g0k n LEU 77 Ca -0.00 1.08 0.28 0.00 -1.11 0.00 0.00 56.01 56.26 2g0k n LEU 77 Cb 0.47 -1.48 0.57 0.00 0.53 0.00 0.00 43.42 43.51 2g0k n LEU 77 CO 0.67 -0.12 1.23 2.19 -1.11 0.00 0.00 177.39 180.26 2g0k h PHE 78 N 6.10 0.56 0.00 1.96 -5.15 -1.86 1.71 116.94 120.26 2g0k h PHE 78 Ca -0.44 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.24 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.25 2g0k h PHE 78 CO 0.63 -0.01 0.09 0.22 -2.00 0.00 0.00 178.31 177.23 2g0k h ASP 79 N 0.28 0.00 0.00 -0.68 3.58 -1.89 -3.44 116.42 114.26 2g0k h ASP 79 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 2g0k h ASP 79 Cb 1.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.90 2g0k h ASP 79 CO -0.30 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.67 2g0k n GLY 80 N -1.24 1.59 3.47 -0.78 0.00 0.58 -5.10 105.19 103.72 2g0k n GLY 80 Ca -0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 2.82 -0.81 2.61 2.01 -1.05 -4.93 115.64 114.29 2g0k s THR 81 Ca 0.00 -1.36 -0.23 0.00 0.31 0.00 0.00 61.69 60.41 2g0k s THR 81 Cb 0.00 -2.24 0.07 0.00 0.01 0.00 0.00 72.50 70.33 2g0k s THR 81 CO 0.00 0.21 1.17 -0.60 -0.69 0.00 0.00 174.62 174.71 2g0k s ARG 82 N -1.82 3.32 0.02 4.92 3.52 -1.26 0.09 118.95 127.74 2g0k s ARG 82 Ca 0.16 -0.93 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 2g0k s ARG 82 Cb -0.11 -4.58 -0.16 0.00 -1.56 0.00 0.00 34.95 28.55 2g0k s ARG 82 CO 0.08 -1.97 1.22 2.35 -0.81 0.00 0.00 175.30 176.17 2g0k h TRP 83 N 9.58 -0.84 0.00 5.12 7.01 -1.25 -3.48 115.95 132.09 2g0k h TRP 83 Ca -0.10 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.88 2g0k h TRP 83 Cb 1.04 0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.38 2g0k h TRP 83 CO 1.11 -0.49 0.00 0.41 -2.79 0.00 0.00 178.44 176.68 2g0k n GLY 84 N -0.77 3.48 3.52 2.65 0.00 -1.20 -4.94 105.19 107.93 2g0k n GLY 84 Ca -0.12 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.61 0.14 -2.64 2.61 -1.04 -1.26 0.08 114.28 110.56 2g0k n THR 85 Ca 0.00 -0.45 -0.32 0.00 -2.04 0.00 0.00 64.05 61.24 2g0k n THR 85 Cb 0.00 -2.14 -0.05 0.00 -1.82 0.00 0.00 70.33 66.32 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 9.13 4.50 -0.51 12.58 1.01 0.16 -4.80 120.40 142.48 2g0k s VAL 86 Ca 1.06 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 64.31 2g0k s VAL 86 Cb -0.55 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.30 2g0k s VAL 86 CO 0.39 -0.50 0.28 -1.81 0.00 0.00 0.00 175.10 173.45 2g0k s ASP 87 N -2.68 4.94 0.58 3.32 1.11 -1.26 -1.93 116.67 120.75 2g0k s ASP 87 Ca 0.59 -2.60 0.29 0.00 0.18 0.00 0.00 52.55 51.01 2g0k s ASP 87 Cb -0.10 -1.76 1.49 0.00 1.07 0.00 0.00 42.92 43.63 2g0k s ASP 87 CO 0.23 -0.38 1.94 0.00 1.18 0.00 0.00 175.17 178.14 2g0k n THR 89 N -3.83 0.00 -0.02 0.00 5.66 -1.20 -2.16 114.28 112.72 2g0k n THR 89 Ca 0.08 -0.06 -0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2g0k n THR 89 Cb 0.63 -0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 69.11 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 -0.72 0.28 -4.23 1.09 -1.04 0.54 -4.72 114.28 105.49 2g0k n THR 90 Ca 0.23 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 2g0k n THR 90 Cb 0.17 -0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 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 -2.06 0.32 -2.67 2.41 0.00 -0.27 -5.04 120.51 113.19 2g0k n ALA 91 Ca -0.07 -1.05 -0.36 0.00 0.00 0.00 0.00 53.44 51.96 2g0k n ALA 91 Cb 0.53 0.75 -0.09 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.61 3.62 0.45 0.00 0.00 -1.26 -3.16 121.76 118.80 2g0k s ALA 92 Ca 0.13 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.35 2g0k s ALA 92 Cb 0.01 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2g0k s ALA 92 CO 0.09 -0.13 0.49 0.00 0.00 0.00 0.00 175.76 176.22 2g0k s GLN 94 N -4.28 1.04 0.37 0.00 0.74 -0.82 0.83 119.66 117.54 2g0k s GLN 94 Ca 0.51 0.14 0.08 0.00 0.05 0.00 0.00 55.36 56.14 2g0k s GLN 94 Cb -0.05 0.49 -0.03 0.00 1.10 0.00 0.00 33.01 34.51 2g0k s GLN 94 CO 0.30 -0.35 0.27 0.08 -0.55 0.00 0.00 175.29 175.04 2g0k s VAL 95 N -1.55 3.00 -0.11 1.34 1.01 -1.01 -0.47 120.40 122.61 2g0k s VAL 95 Ca -0.08 -1.48 -0.33 0.00 0.00 0.00 0.00 61.98 60.08 2g0k s VAL 95 Cb -0.00 -3.05 0.14 0.00 0.00 0.00 0.00 36.38 33.46 2g0k s VAL 95 CO 0.06 -0.10 1.33 -0.83 0.00 0.00 0.00 175.10 175.56 2g0k s GLY 96 N -3.99 -0.39 0.28 4.51 0.00 0.19 -1.88 107.32 106.05 2g0k s GLY 96 Ca 0.42 1.13 0.06 0.00 0.00 0.00 0.00 44.72 46.33 2g0k s GLY 96 CO 0.25 0.29 0.34 1.08 0.00 0.00 0.00 173.10 175.06 2g0k s LEU 97 N -2.69 4.03 -0.18 0.66 1.02 0.37 0.34 118.68 122.24 2g0k s LEU 97 Ca 0.13 -0.14 -0.07 0.00 0.02 0.00 0.00 54.13 54.08 2g0k s LEU 97 Cb 0.04 -2.63 0.08 0.00 0.02 0.00 0.00 46.19 43.70 2g0k s LEU 97 CO -0.05 -0.18 0.38 -0.55 0.02 0.00 0.00 176.35 175.98 2g0k s SER 98 N -3.99 -0.14 0.05 2.29 0.15 5.19 -4.09 113.70 113.15 2g0k s SER 98 Ca 0.37 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2g0k s SER 98 Cb -0.08 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 2g0k s SER 98 CO 0.28 -0.23 0.02 -0.90 1.20 0.00 0.00 173.24 173.61 2g0k n ASP 99 N 5.26 1.73 -0.34 5.45 5.75 -1.26 -1.52 116.55 131.62 2g0k n ASP 99 Ca -0.10 -1.20 0.22 0.00 -0.01 0.00 0.00 54.79 53.71 2g0k n ASP 99 Cb 0.50 0.02 0.46 0.00 -1.03 0.00 0.00 41.12 41.07 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 0.91 1.95 0.00 2.12 0.00 -1.99 0.95 119.26 123.20 2g0k h ALA 100 Ca -0.04 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2g0k h ALA 100 Cb 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2g0k h ALA 100 CO 0.06 -0.52 -1.03 0.00 0.00 0.00 0.00 179.25 177.76 2g0k h ALA 101 N 1.79 0.65 0.00 0.00 0.00 -1.97 -3.48 119.26 116.26 2g0k h ALA 101 Ca 0.70 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2g0k h ALA 101 Cb 1.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2g0k h ALA 101 CO -0.54 0.77 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2g0k n GLY 102 N 1.32 0.87 0.00 0.00 0.00 0.33 -5.08 105.19 102.63 2g0k n GLY 102 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2g0k n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g0k n ASN 103 N 0.88 0.00 0.00 1.61 2.04 -1.26 -4.58 115.26 113.95 2g0k n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2g0k n ASN 103 Cb 0.06 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 2g0k n ASN 103 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2g0k n GLY 104 N 0.00 4.68 3.75 4.83 0.00 -1.26 -4.08 105.19 113.11 2g0k n GLY 104 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.92 1.47 -0.20 1.61 0.04 -1.26 -4.21 135.00 128.53 2g0k s PRO 105 Ca 0.00 0.66 -0.32 0.00 0.04 0.00 0.00 61.00 61.38 2g0k s PRO 105 Cb 0.00 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 2g0k s PRO 105 CO 0.00 -2.05 0.98 -0.85 0.04 0.00 0.00 177.00 175.12 2g0k n GLU 106 N -3.73 0.00 -1.39 4.56 0.28 -1.05 -4.58 120.64 114.73 2g0k n GLU 106 Ca 0.07 0.00 -0.51 0.00 -0.16 0.00 0.00 57.16 56.56 2g0k n GLU 106 Cb 0.56 -1.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.31 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 2.10 -1.02 3.50 -1.84 0.00 -1.26 -4.85 105.19 101.82 2g0k n GLY 107 Ca 0.19 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.51 4.66 -0.08 1.61 1.01 -0.79 -5.01 120.40 121.30 2g0k s VAL 108 Ca 0.74 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.52 2g0k s VAL 108 Cb -1.05 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 30.95 2g0k s VAL 108 CO 0.54 -0.84 0.83 0.00 0.00 0.00 0.00 175.10 175.63 2g0k s ALA 109 N 3.22 3.35 0.13 5.51 0.00 -1.26 -2.40 121.76 130.31 2g0k s ALA 109 Ca 0.24 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.45 2g0k s ALA 109 Cb -0.15 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2g0k s ALA 109 CO 0.18 -0.33 0.12 0.44 0.00 0.00 0.00 175.76 176.18 2g0k n ILE 110 N 4.14 0.00 -3.60 0.00 -5.35 0.24 -4.93 119.36 109.86 2g0k n ILE 110 Ca 0.03 -0.90 -0.03 0.00 -0.27 0.00 0.00 62.75 61.58 2g0k n ILE 110 Cb 0.50 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.85 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2g0k s SER 111 N -1.89 -0.12 -0.21 7.28 0.01 -1.21 -2.88 113.70 114.67 2g0k s SER 111 Ca 0.15 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.36 2g0k s SER 111 Cb 0.01 0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.46 2g0k s SER 111 CO 0.10 -0.29 -0.07 -0.36 0.41 0.00 0.00 173.24 173.04 2g0k s PHE 112 N -2.47 2.28 0.00 2.43 0.40 -0.92 -2.93 117.98 116.77 2g0k s PHE 112 Ca 0.11 -1.60 0.00 0.00 -0.60 0.00 0.00 56.93 54.84 2g0k s PHE 112 Cb 0.01 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.99 2g0k s PHE 112 CO -0.04 -0.74 0.00 0.09 0.70 0.00 0.00 175.22 175.23