#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 3.44 1.16 0.00 0.00 -1.26 -4.48 121.76 120.61 2g0k s ALA 2 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 2g0k s ALA 2 Cb 0.00 -2.65 0.24 0.00 0.00 0.00 0.00 23.12 20.71 2g0k s ALA 2 CO 0.00 -1.07 0.97 -0.35 0.00 0.00 0.00 175.76 175.31 2g0k n PRO 3 N 5.08 -2.38 -3.49 0.00 -0.04 -1.26 -4.14 135.00 128.78 2g0k n PRO 3 Ca -0.12 -1.54 -0.42 0.00 -0.04 0.00 0.00 63.50 61.38 2g0k n PRO 3 Cb 0.49 -1.32 -0.10 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 -2.87 5.23 0.22 0.52 -1.32 -0.72 -2.18 115.64 114.53 2g0k s THR 4 Ca 0.61 -0.52 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 2g0k s THR 4 Cb -0.05 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 2g0k s THR 4 CO 0.45 -0.20 -0.14 0.00 -2.21 0.00 0.00 174.62 172.52 2g0k s ALA 5 N 1.69 2.16 -0.16 11.08 0.00 -1.24 0.49 121.76 135.78 2g0k s ALA 5 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2g0k s ALA 5 Cb -0.18 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2g0k s ALA 5 CO 0.10 0.08 -0.13 0.95 0.00 0.00 0.00 175.76 176.76 2g0k s THR 6 N -2.91 1.55 0.19 0.00 -4.23 0.52 -4.86 115.64 105.91 2g0k s THR 6 Ca 0.24 -0.68 0.10 0.00 -1.18 0.00 0.00 61.69 60.18 2g0k s THR 6 Cb -0.01 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 2g0k s THR 6 CO 0.09 0.40 -0.15 0.54 -0.54 0.00 0.00 174.62 174.96 2g0k s VAL 7 N 1.48 2.85 1.19 2.29 0.11 -1.23 -0.35 120.40 126.74 2g0k s VAL 7 Ca 0.04 -1.85 -0.17 0.00 -2.93 0.00 0.00 61.98 57.07 2g0k s VAL 7 Cb -0.13 -2.41 0.28 0.00 -1.53 0.00 0.00 36.38 32.59 2g0k s VAL 7 CO -0.10 -0.14 1.06 0.28 -3.33 0.00 0.00 175.10 172.87 2g0k s THR 8 N -1.76 1.69 -0.16 5.04 -1.32 -0.49 -4.84 115.64 113.79 2g0k s THR 8 Ca 0.24 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 2g0k s THR 8 Cb -0.08 -2.36 -0.02 0.00 -1.51 0.00 0.00 72.50 68.52 2g0k s THR 8 CO 0.13 0.00 1.42 -2.16 -2.21 0.00 0.00 174.62 171.80 2g0k s PRO 9 N -5.11 4.11 -0.50 7.08 0.04 -1.26 -4.71 135.00 134.64 2g0k s PRO 9 Ca 0.69 1.74 0.04 0.00 0.04 0.00 0.00 61.00 63.51 2g0k s PRO 9 Cb -0.15 -3.88 0.41 0.00 0.04 0.00 0.00 34.50 30.93 2g0k s PRO 9 CO 0.58 -0.89 1.30 -1.13 0.04 0.00 0.00 177.00 176.90 2g0k n SER 10 N 7.16 5.30 -3.89 6.66 3.41 -1.26 -4.90 113.62 126.10 2g0k n SER 10 Ca 0.16 -3.75 -0.30 0.00 -0.26 0.00 0.00 58.87 54.72 2g0k n SER 10 Cb 0.45 -0.57 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.08 4.09 0.00 4.04 1.04 -1.20 -2.66 113.70 115.94 2g0k s SER 11 Ca 0.49 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2g0k s SER 11 Cb 0.41 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2g0k s SER 11 CO -0.20 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2g0k n GLY 12 N 4.63 1.12 3.77 7.32 0.00 -1.24 -4.61 105.19 116.18 2g0k n GLY 12 Ca -0.05 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 4.32 0.27 0.99 1.43 -1.26 -4.84 118.68 119.60 2g0k s LEU 13 Ca 0.00 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2g0k s LEU 13 Cb 0.00 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2g0k s LEU 13 CO 0.00 0.16 0.45 -0.55 0.23 0.00 0.00 176.35 176.64 2g0k s SER 14 N -0.02 6.33 0.32 2.29 0.15 -1.26 -4.77 113.70 116.74 2g0k s SER 14 Ca 0.20 0.33 -0.25 0.00 0.70 0.00 0.00 55.95 56.93 2g0k s SER 14 Cb -0.14 -1.98 -0.14 0.00 -1.71 0.00 0.00 66.02 62.04 2g0k s SER 14 CO 0.08 -0.16 0.64 -0.67 1.20 0.00 0.00 173.24 174.33 2g0k n ASP 15 N -1.34 -0.51 0.00 5.45 2.03 -1.26 -1.92 116.55 119.00 2g0k n ASP 15 Ca -0.06 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2g0k n ASP 15 Cb 0.56 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g0k n GLY 16 N 1.72 3.07 3.78 0.27 0.00 -1.26 -5.02 105.19 107.76 2g0k n GLY 16 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 3.40 -0.13 2.61 2.01 -0.81 -4.97 115.64 114.97 2g0k s THR 17 Ca 0.00 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2g0k s THR 17 Cb 0.00 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2g0k s THR 17 CO 0.00 -0.23 -0.14 0.54 -0.69 0.00 0.00 174.62 174.10 2g0k s VAL 18 N -1.95 1.49 0.54 3.82 0.11 -1.26 -2.44 120.40 120.72 2g0k s VAL 18 Ca 0.70 -0.61 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 2g0k s VAL 18 Cb -0.21 -1.39 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 2g0k s VAL 18 CO 0.27 0.44 0.79 0.68 -3.33 0.00 0.00 175.10 173.96 2g0k s VAL 19 N 1.25 3.22 0.16 2.04 -7.23 0.51 -4.91 120.40 115.44 2g0k s VAL 19 Ca -0.01 -0.45 0.10 0.00 -1.81 0.00 0.00 61.98 59.81 2g0k s VAL 19 Cb -0.14 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 2g0k s VAL 19 CO -0.06 -0.19 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.63 2g0k s LYS 20 N -4.80 1.82 -0.18 4.82 2.36 -1.26 -0.59 119.74 121.92 2g0k s LYS 20 Ca 0.54 -1.31 -0.04 0.00 -2.55 0.00 0.00 55.97 52.61 2g0k s LYS 20 Cb -0.10 -2.06 0.09 0.00 -1.05 0.00 0.00 37.83 34.71 2g0k s LYS 20 CO 0.40 0.44 0.28 0.54 1.55 0.00 0.00 175.35 178.57 2g0k s VAL 21 N -1.51 -0.44 -0.18 4.02 0.11 0.12 -1.39 120.40 121.12 2g0k s VAL 21 Ca 0.21 0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2g0k s VAL 21 Cb -0.09 -0.59 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2g0k s VAL 21 CO 0.12 -0.02 -0.06 0.00 -3.33 0.00 0.00 175.10 171.81 2g0k s ALA 22 N 2.43 1.64 0.25 1.54 0.00 0.53 -1.47 121.76 126.68 2g0k s ALA 22 Ca 0.05 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 2g0k s ALA 22 Cb -0.14 -1.19 -0.09 0.00 0.00 0.00 0.00 23.12 21.70 2g0k s ALA 22 CO -0.11 -0.85 0.77 0.20 0.00 0.00 0.00 175.76 175.77 2g0k s GLY 23 N 1.56 2.64 -0.12 0.00 0.00 -0.96 0.20 107.32 110.64 2g0k s GLY 23 Ca -0.00 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 2g0k s GLY 23 CO -0.08 0.61 0.09 0.00 0.00 0.00 0.00 173.10 173.72 2g0k s ALA 24 N -1.56 0.27 0.00 3.20 0.00 1.80 -2.70 121.76 122.78 2g0k s ALA 24 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2g0k s ALA 24 Cb -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.08 2g0k s ALA 24 CO 0.21 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2g0k n GLY 25 N 5.29 0.93 3.98 0.00 0.00 -1.11 -1.76 105.19 112.52 2g0k n GLY 25 Ca -0.05 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 2.98 0.06 0.99 1.02 -0.99 -4.78 118.68 117.97 2g0k s LEU 26 Ca 0.00 -0.16 -0.31 0.00 0.02 0.00 0.00 54.13 53.68 2g0k s LEU 26 Cb 0.00 -2.28 -0.10 0.00 0.02 0.00 0.00 46.19 43.84 2g0k s LEU 26 CO 0.00 -1.80 1.92 0.00 0.02 0.00 0.00 176.35 176.49 2g0k n GLN 27 N -2.85 2.82 -2.42 1.70 6.02 -1.26 -4.57 117.38 116.81 2g0k n GLN 27 Ca 0.13 1.03 -0.42 0.00 -0.01 0.00 0.00 57.00 57.73 2g0k n GLN 27 Cb 0.60 -2.96 -0.03 0.00 1.02 0.00 0.00 30.24 28.87 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 3.82 3.39 0.00 -1.58 0.00 -1.26 -2.41 121.76 123.72 2g0k s ALA 28 Ca 0.87 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2g0k s ALA 28 Cb -0.46 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2g0k s ALA 28 CO 0.41 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2g0k n GLY 29 N 3.06 0.51 3.84 0.00 0.00 -0.48 -4.95 105.19 107.16 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 -2.20 5.06 0.33 2.61 2.01 -1.01 -4.85 115.64 117.58 2g0k s THR 30 Ca 0.00 0.73 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 2g0k s THR 30 Cb 0.00 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 2g0k s THR 30 CO 0.00 0.51 0.71 0.00 -0.69 0.00 0.00 174.62 175.15 2g0k s ALA 31 N -1.16 3.38 0.03 7.40 0.00 -1.26 -2.29 121.76 127.85 2g0k s ALA 31 Ca 0.26 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2g0k s ALA 31 Cb -0.16 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2g0k s ALA 31 CO 0.14 0.28 -0.07 0.71 0.00 0.00 0.00 175.76 176.82 2g0k s TYR 32 N -2.05 0.63 -0.28 0.00 2.02 -0.89 -3.23 117.35 113.55 2g0k s TYR 32 Ca 0.52 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 2g0k s TYR 32 Cb -0.10 -0.38 0.01 0.00 -0.40 0.00 0.00 41.96 41.09 2g0k s TYR 32 CO 0.22 -0.06 0.05 0.34 -1.57 0.00 0.00 175.55 174.53 2g0k s ASP 33 N -1.12 4.96 -0.10 2.29 2.15 4.28 -3.36 116.67 125.77 2g0k s ASP 33 Ca -0.06 -0.74 -0.04 0.00 0.43 0.00 0.00 52.55 52.14 2g0k s ASP 33 Cb -0.07 -1.83 -0.04 0.00 -0.30 0.00 0.00 42.92 40.67 2g0k s ASP 33 CO 0.00 -0.18 0.06 -0.69 -0.17 0.00 0.00 175.17 174.20 2g0k s VAL 34 N 1.46 4.83 0.16 1.11 1.01 0.81 1.21 120.40 130.99 2g0k s VAL 34 Ca 0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 2g0k s VAL 34 Cb -0.17 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.20 2g0k s VAL 34 CO 0.01 0.60 0.92 -0.83 0.00 0.00 0.00 175.10 175.80 2g0k s GLY 35 N -0.98 -0.24 -0.14 4.51 0.00 2.16 -0.67 107.32 111.95 2g0k s GLY 35 Ca 0.14 0.15 -0.00 0.00 0.00 0.00 0.00 44.72 45.01 2g0k s GLY 35 CO 0.04 0.02 -0.13 1.62 0.00 0.00 0.00 173.10 174.65 2g0k s GLN 36 N -3.35 3.36 0.02 2.90 0.74 -1.26 -1.56 119.66 120.51 2g0k s GLN 36 Ca 0.11 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.88 2g0k s GLN 36 Cb -0.02 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.42 2g0k s GLN 36 CO 0.02 0.16 -0.13 0.00 -0.55 0.00 0.00 175.29 174.78 2g0k s ALA 38 N -0.60 1.98 0.15 0.00 0.00 0.12 -2.88 121.76 120.53 2g0k s ALA 38 Ca 0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 2g0k s ALA 38 Cb -0.06 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.21 2g0k s ALA 38 CO 0.00 0.27 1.58 -0.46 0.00 0.00 0.00 175.76 177.15 2g0k s TRP 39 N 0.35 2.94 -0.12 0.00 -0.00 -1.21 -1.00 118.94 119.90 2g0k s TRP 39 Ca -0.16 0.57 -0.00 0.00 -0.00 0.00 0.00 56.10 56.50 2g0k s TRP 39 Cb -0.17 -3.93 -0.07 0.00 -0.00 0.00 0.00 33.47 29.30 2g0k s TRP 39 CO 0.07 -3.49 -0.11 1.33 -0.00 0.00 0.00 176.95 174.75 2g0k n VAL 40 N 4.12 0.66 -3.96 5.86 0.24 -0.70 -4.77 118.33 119.78 2g0k n VAL 40 Ca 0.14 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 2g0k n VAL 40 Cb 0.39 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.63 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2g0k s ASP 41 N -5.30 0.13 -0.10 -1.34 -1.08 0.20 -5.02 116.67 104.16 2g0k s ASP 41 Ca -0.16 -0.85 -0.34 0.00 -0.52 0.00 0.00 52.55 50.67 2g0k s ASP 41 Cb 0.04 0.37 -0.12 0.00 -1.46 0.00 0.00 42.92 41.76 2g0k s ASP 41 CO 0.26 -0.80 1.88 0.41 0.52 0.00 0.00 175.17 177.43 2g0k n THR 42 N -0.13 0.57 -0.93 1.71 -1.04 -1.26 0.99 114.28 114.19 2g0k n THR 42 Ca -0.10 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2g0k n THR 42 Cb 0.63 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 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 4.40 0.37 2.96 3.41 0.00 -1.26 -4.96 105.19 110.12 2g0k n GLY 43 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.92 1.46 0.03 1.61 1.01 0.28 -5.11 120.40 117.75 2g0k s VAL 44 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2g0k s VAL 44 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2g0k s VAL 44 CO 0.00 0.19 -0.20 -0.22 0.00 0.00 0.00 175.10 174.87 2g0k s LEU 45 N 1.49 2.13 -0.04 3.92 2.96 -1.26 -0.62 118.68 127.25 2g0k s LEU 45 Ca 0.00 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2g0k s LEU 45 Cb -0.15 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 2g0k s LEU 45 CO -0.08 0.17 0.05 0.00 -1.32 0.00 0.00 176.35 175.17 2g0k s ALA 46 N -0.71 3.46 0.32 5.97 0.00 -0.17 -3.31 121.76 127.32 2g0k s ALA 46 Ca 0.07 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.28 2g0k s ALA 46 Cb -0.08 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2g0k s ALA 46 CO 0.01 0.64 0.10 0.00 0.00 0.00 0.00 175.76 176.51 2g0k s ASN 48 N -3.79 3.64 0.00 0.00 2.47 -0.75 0.56 114.94 117.06 2g0k s ASN 48 Ca 0.36 -1.08 0.19 0.00 0.42 0.00 0.00 52.86 52.75 2g0k s ASN 48 Cb -0.03 -1.10 1.12 0.00 -1.45 0.00 0.00 41.25 39.79 2g0k s ASN 48 CO 0.22 -0.23 1.52 -0.81 -3.72 0.00 0.00 177.10 174.07 2g0k n PRO 49 N 4.73 0.62 0.03 0.43 -0.04 -1.26 -2.12 135.00 137.40 2g0k n PRO 49 Ca -0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2g0k n PRO 49 Cb 0.45 -1.47 0.24 0.00 -0.04 0.00 0.00 33.50 32.68 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 3.09 -1.96 0.55 0.00 -1.26 -3.85 120.51 116.12 2g0k n ALA 50 Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2g0k n ALA 50 Cb 0.06 -1.18 0.12 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.84 1.37 -4.52 0.00 5.68 -0.90 -5.02 116.55 111.33 2g0k n ASP 51 Ca 0.04 -2.98 -0.43 0.00 -0.50 0.00 0.00 54.79 50.93 2g0k n ASP 51 Cb 0.39 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.92 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 -1.72 2.79 0.47 2.11 0.08 -1.23 -4.01 117.98 116.48 2g0k s PHE 52 Ca 0.34 -0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.44 2g0k s PHE 52 Cb 0.35 -4.08 0.02 0.00 -0.57 0.00 0.00 43.02 38.74 2g0k s PHE 52 CO -0.10 -1.36 0.52 0.45 -0.10 0.00 0.00 175.22 174.63 2g0k s SER 53 N 2.86 5.13 0.05 1.36 0.15 0.15 -4.99 113.70 118.42 2g0k s SER 53 Ca 0.30 -0.78 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 2g0k s SER 53 Cb -0.13 -0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2g0k s SER 53 CO 0.19 -0.90 0.15 -0.94 1.20 0.00 0.00 173.24 172.94 2g0k s SER 54 N -4.32 0.11 -0.04 5.45 1.04 -1.26 -2.22 113.70 112.45 2g0k s SER 54 Ca 0.50 -0.48 -0.29 0.00 0.48 0.00 0.00 55.95 56.17 2g0k s SER 54 Cb -0.05 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.45 2g0k s SER 54 CO 0.30 -0.56 0.90 0.54 0.98 0.00 0.00 173.24 175.41 2g0k s VAL 55 N -2.77 0.00 -0.03 5.02 0.11 -1.21 -4.98 120.40 116.54 2g0k s VAL 55 Ca -0.04 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2g0k s VAL 55 Cb -0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2g0k s VAL 55 CO -0.05 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.68 2g0k s THR 56 N -2.59 1.21 0.21 5.04 2.01 -1.26 -2.09 115.64 118.18 2g0k s THR 56 Ca 0.03 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2g0k s THR 56 Cb -0.01 -1.04 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 2g0k s THR 56 CO -0.06 0.35 1.10 0.00 -0.69 0.00 0.00 174.62 175.32 2g0k s ALA 57 N -0.06 3.39 1.04 7.40 0.00 -0.97 -4.72 121.76 127.83 2g0k s ALA 57 Ca -0.00 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2g0k s ALA 57 Cb -0.09 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.81 2g0k s ALA 57 CO 0.01 -0.18 0.60 -0.40 0.00 0.00 0.00 175.76 175.79 2g0k n ASP 58 N 1.96 -0.45 0.30 0.00 5.68 -0.93 -1.39 116.55 121.73 2g0k n ASP 58 Ca 0.01 -1.10 0.20 0.00 -0.50 0.00 0.00 54.79 53.40 2g0k n ASP 58 Cb 0.46 -0.49 1.04 0.00 -1.14 0.00 0.00 41.12 40.99 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 -2.04 1.00 -0.13 2.12 0.00 -1.93 0.18 119.26 118.46 2g0k h ALA 59 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2g0k h ALA 59 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2g0k h ALA 59 CO 0.14 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.68 2g0k n ASN 60 N -2.94 0.86 -2.69 0.00 5.15 -1.26 -4.87 115.26 109.51 2g0k n ASN 60 Ca -0.02 -1.81 -0.20 0.00 -0.60 0.00 0.00 54.58 51.95 2g0k n ASN 60 Cb 0.10 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.85 -0.51 3.04 8.20 0.00 0.64 -4.72 105.19 112.70 2g0k n GLY 61 Ca 0.10 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2g0k n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2g0k s SER 62 N -2.30 1.67 0.29 1.61 0.15 -1.26 -2.33 113.70 111.52 2g0k s SER 62 Ca 0.13 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.58 2g0k s SER 62 Cb -0.06 -0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 63.62 2g0k s SER 62 CO 0.16 0.08 -0.08 0.00 1.20 0.00 0.00 173.24 174.60 2g0k s ALA 63 N 0.33 2.48 -0.15 5.45 0.00 -1.10 -2.20 121.76 126.57 2g0k s ALA 63 Ca -0.07 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 49.88 2g0k s ALA 63 Cb -0.12 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.17 2g0k s ALA 63 CO 0.02 -0.02 0.35 -1.12 0.00 0.00 0.00 175.76 174.99 2g0k s SER 64 N -3.48 -0.26 0.04 0.00 0.01 -1.26 -2.27 113.70 106.48 2g0k s SER 64 Ca 0.30 0.77 -0.26 0.00 1.31 0.00 0.00 55.95 58.07 2g0k s SER 64 Cb 0.03 0.79 0.06 0.00 0.21 0.00 0.00 66.02 67.11 2g0k s SER 64 CO 0.13 -0.20 0.60 -0.89 0.41 0.00 0.00 173.24 173.29 2g0k s THR 65 N 1.78 0.01 -0.15 1.44 2.01 -0.54 -4.97 115.64 115.22 2g0k s THR 65 Ca -0.06 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2g0k s THR 65 Cb -0.10 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2g0k s THR 65 CO -0.11 -0.05 0.03 -0.44 -0.69 0.00 0.00 174.62 173.36 2g0k s SER 66 N -1.86 5.41 -0.21 3.53 0.01 -1.26 -0.70 113.70 118.62 2g0k s SER 66 Ca -0.06 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 2g0k s SER 66 Cb -0.01 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2g0k s SER 66 CO 0.00 0.25 -0.11 -0.22 0.41 0.00 0.00 173.24 173.57 2g0k s LEU 67 N -0.07 2.60 0.16 2.44 1.98 0.24 -4.93 118.68 121.10 2g0k s LEU 67 Ca 0.05 -0.51 -0.30 0.00 -2.89 0.00 0.00 54.13 50.48 2g0k s LEU 67 Cb -0.12 -1.63 -0.08 0.00 0.66 0.00 0.00 46.19 45.01 2g0k s LEU 67 CO 0.02 -0.02 1.23 0.28 -1.89 0.00 0.00 176.35 175.97 2g0k s THR 68 N 1.40 3.55 -0.21 3.68 -1.32 -1.26 -0.36 115.64 121.11 2g0k s THR 68 Ca 0.05 1.25 -0.05 0.00 -1.21 0.00 0.00 61.69 61.73 2g0k s THR 68 Cb -0.14 -3.80 -0.02 0.00 -1.51 0.00 0.00 72.50 67.03 2g0k s THR 68 CO -0.07 0.18 0.01 0.54 -2.21 0.00 0.00 174.62 173.06 2g0k s VAL 69 N 0.22 4.01 -0.04 5.08 0.11 -1.02 -4.88 120.40 123.88 2g0k s VAL 69 Ca 0.55 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2g0k s VAL 69 Cb -0.33 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 2g0k s VAL 69 CO 0.35 0.42 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.29 2g0k s ARG 70 N 1.09 2.53 0.00 1.54 3.00 -1.26 -4.14 118.95 121.71 2g0k s ARG 70 Ca 0.03 -0.69 0.24 0.00 0.00 0.00 0.00 55.73 55.31 2g0k s ARG 70 Cb -0.14 -2.42 1.15 0.00 0.00 0.00 0.00 34.95 33.54 2g0k s ARG 70 CO 0.02 0.63 1.80 2.89 0.00 0.00 0.00 175.30 180.64 2g0k n ARG 71 N 2.17 0.19 -3.59 3.54 1.85 -1.26 -4.51 116.66 115.05 2g0k n ARG 71 Ca -0.17 0.07 -0.11 0.00 -1.00 0.00 0.00 57.85 56.64 2g0k n ARG 71 Cb 0.52 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.37 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2g0k s SER 72 N -2.77 -0.44 -0.14 2.89 1.04 -1.26 0.99 113.70 114.01 2g0k s SER 72 Ca 0.18 0.62 -0.34 0.00 0.48 0.00 0.00 55.95 56.88 2g0k s SER 72 Cb 0.16 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.97 2g0k s SER 72 CO 0.41 -0.31 1.32 0.72 0.98 0.00 0.00 173.24 176.35 2g0k s PHE 73 N -0.66 -0.05 -0.10 5.02 -0.12 -0.80 -4.93 117.98 116.34 2g0k s PHE 73 Ca -0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 56.93 56.58 2g0k s PHE 73 Cb -0.02 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.82 2g0k s PHE 73 CO 0.00 -0.15 2.05 -1.83 -0.05 0.00 0.00 175.22 175.25 2g0k s GLU 74 N -2.26 3.65 -0.74 1.99 -1.05 -1.26 -0.11 118.70 118.91 2g0k s GLU 74 Ca 0.12 2.26 -0.26 0.00 -0.15 0.00 0.00 54.97 56.95 2g0k s GLU 74 Cb 0.03 -4.25 0.01 0.00 -0.44 0.00 0.00 34.13 29.48 2g0k s GLU 74 CO -0.04 -1.51 1.50 0.20 0.95 0.00 0.00 175.26 176.36 2g0k s GLY 75 N 6.17 0.68 -0.67 -3.83 0.00 0.28 -3.98 107.32 105.97 2g0k s GLY 75 Ca 0.92 -1.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.12 2g0k s GLY 75 CO 0.38 2.92 1.12 -0.12 0.00 0.00 0.00 173.10 177.40 2g0k s PHE 76 N 6.87 2.51 0.31 1.90 5.36 2.22 -1.02 117.98 136.13 2g0k s PHE 76 Ca 0.48 -0.15 -0.29 0.00 -0.96 0.00 0.00 56.93 56.00 2g0k s PHE 76 Cb -0.08 -4.43 -0.12 0.00 -0.34 0.00 0.00 43.02 38.04 2g0k s PHE 76 CO 0.13 -1.79 1.44 -0.11 -1.46 0.00 0.00 175.22 173.43 2g0k n LEU 77 N 8.48 3.89 -0.34 6.12 7.94 0.11 0.33 117.00 143.54 2g0k n LEU 77 Ca 0.01 1.18 0.19 0.00 -1.11 0.00 0.00 56.01 56.28 2g0k n LEU 77 Cb 0.48 -1.53 0.41 0.00 0.53 0.00 0.00 43.42 43.31 2g0k n LEU 77 CO 0.68 -0.19 1.14 -0.26 -1.11 0.00 0.00 177.39 177.65 2g0k h PHE 78 N 3.67 0.97 0.00 1.96 0.04 -1.86 1.72 116.94 123.45 2g0k h PHE 78 Ca -0.47 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2g0k h PHE 78 Cb 1.26 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2g0k h PHE 78 CO 0.55 -0.02 0.15 0.22 -0.60 0.00 0.00 178.31 178.61 2g0k h ASP 79 N 0.49 0.00 0.00 2.17 1.82 -1.90 -3.44 116.42 115.56 2g0k h ASP 79 Ca 0.67 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 2g0k h ASP 79 Cb 1.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2g0k h ASP 79 CO -0.52 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.72 2g0k n GLY 80 N -1.23 1.50 3.55 -0.78 0.00 0.58 -5.10 105.19 103.72 2g0k n GLY 80 Ca -0.02 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 3.41 -0.88 2.61 2.01 -1.11 -4.90 115.64 114.77 2g0k s THR 81 Ca 0.00 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 60.94 2g0k s THR 81 Cb 0.00 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 70.11 2g0k s THR 81 CO 0.00 0.43 1.33 -0.13 -0.69 0.00 0.00 174.62 175.56 2g0k s ARG 82 N -1.27 3.41 0.07 4.92 0.52 -1.26 0.09 118.95 125.42 2g0k s ARG 82 Ca 0.15 -0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 54.33 2g0k s ARG 82 Cb -0.11 -4.80 -0.13 0.00 0.52 0.00 0.00 34.95 30.42 2g0k s ARG 82 CO 0.06 -2.13 1.61 2.35 0.02 0.00 0.00 175.30 177.20 2g0k h TRP 83 N 9.81 0.13 0.00 -0.53 2.91 -1.45 -3.48 115.95 123.32 2g0k h TRP 83 Ca -0.02 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2g0k h TRP 83 Cb 1.03 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.64 2g0k h TRP 83 CO 1.19 0.23 0.00 0.41 -1.03 0.00 0.00 178.44 179.25 2g0k n GLY 84 N -0.70 2.36 3.58 2.65 0.00 -1.23 -4.95 105.19 106.91 2g0k n GLY 84 Ca -0.06 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.66 3.28 0.32 2.61 2.01 -1.26 0.99 115.64 121.93 2g0k s THR 85 Ca 0.00 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.15 2g0k s THR 85 Cb 0.00 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 2g0k s THR 85 CO 0.00 -0.34 0.69 0.68 -0.69 0.00 0.00 174.62 174.95 2g0k s VAL 86 N 8.32 4.80 -0.73 3.82 -7.23 0.84 -4.82 120.40 125.40 2g0k s VAL 86 Ca 0.85 0.66 -0.13 0.00 -1.81 0.00 0.00 61.98 61.55 2g0k s VAL 86 Cb -0.22 -3.66 0.19 0.00 0.56 0.00 0.00 36.38 33.25 2g0k s VAL 86 CO 0.31 -0.27 0.66 -1.81 -0.31 0.00 0.00 175.10 173.67 2g0k s ASP 87 N -2.64 6.42 0.60 4.85 1.01 -1.26 -1.90 116.67 123.75 2g0k s ASP 87 Ca 0.51 -2.52 0.29 0.00 0.71 0.00 0.00 52.55 51.54 2g0k s ASP 87 Cb -0.10 -2.15 1.55 0.00 1.01 0.00 0.00 42.92 43.22 2g0k s ASP 87 CO 0.24 -0.60 1.95 0.00 0.21 0.00 0.00 175.17 176.96 2g0k n THR 89 N -3.57 0.04 -0.02 0.00 5.66 -0.93 -3.48 114.28 111.98 2g0k n THR 89 Ca 0.05 -0.12 -0.01 0.00 -3.05 0.00 0.00 64.05 60.91 2g0k n THR 89 Cb 0.53 -0.04 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.42 0.25 -4.12 1.09 -1.04 0.52 -4.93 114.28 105.64 2g0k n THR 90 Ca 0.19 -0.19 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2g0k n THR 90 Cb 0.20 -0.56 -0.01 0.00 -1.82 0.00 0.00 70.33 68.14 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 0.07 -2.71 2.41 0.00 -0.47 -5.06 120.51 112.69 2g0k n ALA 91 Ca -0.06 -0.36 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 2g0k n ALA 91 Cb 0.53 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.14 3.60 0.38 0.00 0.00 -1.26 -4.72 121.76 117.61 2g0k s ALA 92 Ca 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.63 2g0k s ALA 92 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 2g0k s ALA 92 CO 0.00 0.13 0.44 0.00 0.00 0.00 0.00 175.76 176.34 2g0k s GLN 94 N -4.18 0.34 0.25 0.00 0.74 -1.14 0.17 119.66 115.84 2g0k s GLN 94 Ca 0.48 0.67 0.09 0.00 0.05 0.00 0.00 55.36 56.66 2g0k s GLN 94 Cb -0.07 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 2g0k s GLN 94 CO 0.30 -0.09 -0.01 0.08 -0.55 0.00 0.00 175.29 175.03 2g0k s VAL 95 N 1.75 3.46 -0.08 1.34 1.01 -1.06 -2.33 120.40 124.49 2g0k s VAL 95 Ca -0.07 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.76 2g0k s VAL 95 Cb -0.04 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.60 2g0k s VAL 95 CO -0.16 -0.34 1.33 0.61 0.00 0.00 0.00 175.10 176.54 2g0k n GLY 96 N -0.78 0.11 3.18 4.51 0.00 -0.60 -3.82 105.19 107.80 2g0k n GLY 96 Ca -0.07 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 2g0k n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2g0k s LEU 97 N 0.00 2.14 0.05 0.99 2.34 0.58 0.54 118.68 125.33 2g0k s LEU 97 Ca 0.32 -0.45 0.05 0.00 0.06 0.00 0.00 54.13 54.11 2g0k s LEU 97 Cb -0.00 -0.78 -0.02 0.00 -0.56 0.00 0.00 46.19 44.82 2g0k s LEU 97 CO -0.02 0.11 -0.15 -0.94 -1.06 0.00 0.00 176.35 174.29 2g0k s SER 98 N -1.01 1.76 0.00 1.48 1.04 9.89 -2.16 113.70 124.70 2g0k s SER 98 Ca 0.05 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2g0k s SER 98 Cb -0.08 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2g0k s SER 98 CO 0.01 0.01 0.00 -0.90 0.98 0.00 0.00 173.24 173.34 2g0k n ASP 99 N 1.68 0.53 -0.03 7.02 5.75 -1.02 0.80 116.55 131.27 2g0k n ASP 99 Ca -0.19 -0.34 -0.12 0.00 -0.01 0.00 0.00 54.79 54.13 2g0k n ASP 99 Cb 0.54 0.00 -0.07 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 -0.10 0.14 0.00 2.12 0.00 -1.92 -2.59 119.26 116.91 2g0k h ALA 100 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 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 -0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.07 2g0k h ALA 101 N 0.71 1.05 -1.30 0.00 0.00 -1.96 -3.46 119.26 114.30 2g0k h ALA 101 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g0k h ALA 101 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2g0k h ALA 101 CO 0.01 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2g0k n GLY 102 N -0.43 0.61 3.33 0.00 0.00 -0.98 -5.11 105.19 102.61 2g0k n GLY 102 Ca -0.01 -0.35 -0.17 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 -2.26 2.17 0.10 1.61 6.03 -1.26 -4.83 114.94 116.50 2g0k s ASN 103 Ca 0.00 -1.11 -0.23 0.00 -1.03 0.00 0.00 52.86 50.49 2g0k s ASN 103 Cb 0.00 -0.06 0.08 0.00 -3.03 0.00 0.00 41.25 38.24 2g0k s ASN 103 CO 0.00 -0.35 1.09 0.61 -2.03 0.00 0.00 177.10 176.42 2g0k n GLY 104 N -0.38 0.46 3.79 0.45 0.00 -1.26 -2.43 105.19 105.82 2g0k n GLY 104 Ca -0.07 -1.10 -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 2.90 -0.36 1.61 0.04 -1.26 -4.40 135.00 131.49 2g0k s PRO 105 Ca 0.25 1.20 -0.36 0.00 0.04 0.00 0.00 61.00 62.12 2g0k s PRO 105 Cb -0.02 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 2g0k s PRO 105 CO 0.03 -1.14 1.22 -0.85 0.04 0.00 0.00 177.00 176.30 2g0k n GLU 106 N -2.64 0.00 -1.02 4.56 0.28 -0.93 -4.54 120.64 116.36 2g0k n GLU 106 Ca 0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.77 2g0k n GLU 106 Cb 0.53 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.22 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 2.97 -2.34 3.02 -1.84 0.00 -1.26 -4.80 105.19 100.93 2g0k n GLY 107 Ca 0.24 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.45 1.59 0.10 1.61 1.01 -1.25 -5.09 120.40 116.93 2g0k s VAL 108 Ca 0.46 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2g0k s VAL 108 Cb -0.46 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2g0k s VAL 108 CO 0.51 0.40 0.29 0.00 0.00 0.00 0.00 175.10 176.30 2g0k s ALA 109 N 1.47 3.92 0.26 5.51 0.00 -1.26 -2.55 121.76 129.10 2g0k s ALA 109 Ca 0.04 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2g0k s ALA 109 Cb -0.13 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2g0k s ALA 109 CO -0.10 0.74 -0.08 0.42 0.00 0.00 0.00 175.76 176.73 2g0k s ILE 110 N -1.60 1.65 -0.18 0.00 1.01 0.45 -4.88 121.20 117.65 2g0k s ILE 110 Ca 0.37 -2.15 -0.13 0.00 0.00 0.00 0.00 60.65 58.75 2g0k s ILE 110 Cb -0.12 -2.34 0.05 0.00 0.01 0.00 0.00 42.46 40.06 2g0k s ILE 110 CO 0.27 -0.38 0.45 -0.55 0.00 0.00 0.00 174.94 174.73 2g0k s SER 111 N -3.40 -0.53 -0.22 3.58 0.15 -1.09 -2.93 113.70 109.26 2g0k s SER 111 Ca 0.28 0.96 -0.09 0.00 0.70 0.00 0.00 55.95 57.79 2g0k s SER 111 Cb 0.02 0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 65.19 2g0k s SER 111 CO 0.10 -0.18 0.11 -0.36 1.20 0.00 0.00 173.24 174.11 2g0k s PHE 112 N 0.89 3.24 0.00 3.44 0.40 -1.26 -3.21 117.98 121.48 2g0k s PHE 112 Ca -0.05 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2g0k s PHE 112 Cb -0.06 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.27 2g0k s PHE 112 CO -0.07 0.00 0.00 0.09 0.70 0.00 0.00 175.22 175.94