#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0k s ALA 2 N 0.00 -0.41 1.08 0.00 0.00 -1.26 -4.64 121.76 116.53 2g0k s ALA 2 Ca 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 2g0k s ALA 2 Cb 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.71 2g0k s ALA 2 CO 0.00 -0.17 0.51 -0.35 0.00 0.00 0.00 175.76 175.74 2g0k n PRO 3 N 4.15 -1.60 -3.30 0.00 -0.04 -1.26 -3.42 135.00 129.53 2g0k n PRO 3 Ca -0.25 -0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 61.98 2g0k n PRO 3 Cb 0.53 -0.69 -0.09 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.97 5.07 -0.01 0.52 -1.32 -1.04 0.78 115.64 117.67 2g0k s THR 4 Ca 0.32 -0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.67 2g0k s THR 4 Cb -0.02 -4.01 -0.01 0.00 -1.51 0.00 0.00 72.50 66.94 2g0k s THR 4 CO 0.24 -0.37 -0.12 0.00 -2.21 0.00 0.00 174.62 172.16 2g0k s ALA 5 N 2.21 1.02 -0.38 11.08 0.00 -1.24 0.44 121.76 134.89 2g0k s ALA 5 Ca 0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 2g0k s ALA 5 Cb -0.16 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2g0k s ALA 5 CO 0.14 0.25 0.24 0.95 0.00 0.00 0.00 175.76 177.34 2g0k s THR 6 N -0.30 4.92 0.17 0.00 -4.23 0.76 -4.78 115.64 112.18 2g0k s THR 6 Ca 0.05 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 2g0k s THR 6 Cb -0.05 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 2g0k s THR 6 CO -0.00 -0.21 0.07 0.68 -0.54 0.00 0.00 174.62 174.62 2g0k s VAL 7 N 1.63 4.11 1.24 2.29 -7.23 -1.25 -0.40 120.40 120.79 2g0k s VAL 7 Ca 0.04 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.75 2g0k s VAL 7 Cb -0.19 -3.09 0.30 0.00 0.56 0.00 0.00 36.38 33.96 2g0k s VAL 7 CO 0.08 -0.12 1.06 0.28 -0.31 0.00 0.00 175.10 176.09 2g0k s THR 8 N -1.77 1.56 -0.18 5.32 -1.32 0.07 -4.88 115.64 114.44 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 -0.10 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.50 2g0k s THR 8 CO 0.21 0.00 1.43 -2.16 -2.21 0.00 0.00 174.62 171.89 2g0k s PRO 9 N -5.25 4.06 -0.42 7.08 0.04 -1.26 -4.74 135.00 134.51 2g0k s PRO 9 Ca 0.70 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2g0k s PRO 9 Cb -0.12 -3.89 0.45 0.00 0.04 0.00 0.00 34.50 30.98 2g0k s PRO 9 CO 0.57 -0.95 1.42 -1.13 0.04 0.00 0.00 177.00 176.95 2g0k n SER 10 N 7.34 5.69 -3.97 6.66 3.41 -1.26 -4.88 113.62 126.61 2g0k n SER 10 Ca 0.16 -3.76 -0.31 0.00 -0.26 0.00 0.00 58.87 54.70 2g0k n SER 10 Cb 0.45 -0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 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 -3.06 4.28 0.00 4.04 1.04 -1.24 -2.88 113.70 115.87 2g0k s SER 11 Ca 0.54 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2g0k s SER 11 Cb 0.43 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 65.19 2g0k s SER 11 CO -0.01 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2g0k n GLY 12 N 4.51 1.24 3.76 7.32 0.00 -1.24 -4.84 105.19 115.94 2g0k n GLY 12 Ca -0.07 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 4.27 0.26 0.99 1.43 -1.26 -4.92 118.68 119.46 2g0k s LEU 13 Ca 0.00 0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 2g0k s LEU 13 Cb 0.00 -2.24 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 2g0k s LEU 13 CO 0.00 0.20 0.57 -0.44 0.23 0.00 0.00 176.35 176.91 2g0k s SER 14 N 0.06 6.56 0.19 2.29 0.01 -1.26 -4.93 113.70 116.63 2g0k s SER 14 Ca 0.14 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.98 2g0k s SER 14 Cb -0.12 -2.21 -0.16 0.00 0.21 0.00 0.00 66.02 63.73 2g0k s SER 14 CO 0.03 -0.14 0.82 -0.90 0.41 0.00 0.00 173.24 173.46 2g0k n ASP 15 N -0.48 0.01 0.00 2.44 5.75 -1.26 -1.57 116.55 121.45 2g0k n ASP 15 Ca 0.00 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.93 2g0k n ASP 15 Cb 0.53 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 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 1.75 3.11 3.76 6.12 0.00 -1.17 -5.02 105.19 113.74 2g0k n GLY 16 Ca 0.16 0.00 -0.37 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 -2.73 2.55 -0.25 2.61 2.01 -0.61 -4.94 115.64 114.29 2g0k s THR 17 Ca 0.00 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 2g0k s THR 17 Cb 0.00 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 2g0k s THR 17 CO 0.00 -0.03 0.01 0.54 -0.69 0.00 0.00 174.62 174.45 2g0k s VAL 18 N -1.46 3.60 0.41 3.82 0.11 -1.26 -3.38 120.40 122.24 2g0k s VAL 18 Ca 0.71 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 2g0k s VAL 18 Cb -0.34 -2.74 -0.00 0.00 -1.53 0.00 0.00 36.38 31.77 2g0k s VAL 18 CO 0.39 0.28 0.60 0.68 -3.33 0.00 0.00 175.10 173.73 2g0k s VAL 19 N 1.48 4.01 0.16 2.04 -7.23 0.51 -4.96 120.40 116.42 2g0k s VAL 19 Ca 0.04 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 59.63 2g0k s VAL 19 Cb -0.16 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 2g0k s VAL 19 CO -0.01 -0.27 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.66 2g0k s LYS 20 N -4.43 2.06 -0.21 4.82 2.36 -1.26 -1.93 119.74 121.16 2g0k s LYS 20 Ca 0.47 -1.21 -0.04 0.00 -2.55 0.00 0.00 55.97 52.64 2g0k s LYS 20 Cb -0.10 -2.19 0.11 0.00 -1.05 0.00 0.00 37.83 34.60 2g0k s LYS 20 CO 0.36 0.45 0.33 0.54 1.55 0.00 0.00 175.35 178.58 2g0k s VAL 21 N -1.58 -0.52 -0.22 4.02 0.11 -0.89 -0.75 120.40 120.58 2g0k s VAL 21 Ca 0.24 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2g0k s VAL 21 Cb -0.09 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2g0k s VAL 21 CO 0.15 -0.06 -0.14 0.00 -3.33 0.00 0.00 175.10 171.72 2g0k s ALA 22 N 2.49 2.33 0.31 1.54 0.00 0.47 -2.39 121.76 126.51 2g0k s ALA 22 Ca 0.07 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.41 2g0k s ALA 22 Cb -0.14 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 2g0k s ALA 22 CO -0.13 -0.82 0.79 0.20 0.00 0.00 0.00 175.76 175.79 2g0k s GLY 23 N 1.25 2.48 -0.22 0.00 0.00 -1.09 0.27 107.32 110.00 2g0k s GLY 23 Ca -0.02 0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 2g0k s GLY 23 CO -0.08 0.47 0.28 0.00 0.00 0.00 0.00 173.10 173.77 2g0k s ALA 24 N -1.83 -0.58 0.00 3.20 0.00 1.51 -3.22 121.76 120.84 2g0k s ALA 24 Ca 0.51 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2g0k s ALA 24 Cb -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2g0k s ALA 24 CO 0.18 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.12 2g0k n GLY 25 N 5.34 1.27 3.94 0.00 0.00 -1.26 -2.50 105.19 111.98 2g0k n GLY 25 Ca -0.05 0.00 -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 3.40 -0.22 0.99 1.43 -1.19 -4.85 118.68 118.24 2g0k s LEU 26 Ca 0.00 0.39 -0.37 0.00 -1.03 0.00 0.00 54.13 53.11 2g0k s LEU 26 Cb 0.00 -3.23 -0.14 0.00 0.03 0.00 0.00 46.19 42.85 2g0k s LEU 26 CO 0.00 -0.95 1.85 0.00 0.23 0.00 0.00 176.35 177.48 2g0k n GLN 27 N -2.34 1.53 -2.34 1.70 6.02 -1.26 -4.58 117.38 116.11 2g0k n GLN 27 Ca 0.04 0.55 -0.41 0.00 -0.01 0.00 0.00 57.00 57.17 2g0k n GLN 27 Cb 0.58 -2.34 -0.03 0.00 1.02 0.00 0.00 30.24 29.47 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 4.16 3.45 0.00 -1.58 0.00 -1.26 -2.30 121.76 124.24 2g0k s ALA 28 Ca 0.98 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2g0k s ALA 28 Cb -0.91 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2g0k s ALA 28 CO 0.59 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.35 2g0k n GLY 29 N 2.20 0.40 3.88 0.00 0.00 -0.97 -4.91 105.19 105.79 2g0k n GLY 29 Ca 0.05 0.00 -0.36 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 -1.89 5.35 0.38 2.61 2.01 -0.97 -4.85 115.64 118.27 2g0k s THR 30 Ca 0.00 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 2g0k s THR 30 Cb 0.00 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.91 2g0k s THR 30 CO 0.00 0.47 0.76 0.00 -0.69 0.00 0.00 174.62 175.16 2g0k s ALA 31 N -1.19 3.34 0.03 7.40 0.00 -1.26 -2.42 121.76 127.66 2g0k s ALA 31 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2g0k s ALA 31 Cb -0.13 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2g0k s ALA 31 CO 0.12 0.10 -0.05 0.71 0.00 0.00 0.00 175.76 176.64 2g0k s TYR 32 N -2.25 0.46 -0.24 0.00 2.02 -1.00 -4.31 117.35 112.02 2g0k s TYR 32 Ca 0.52 -0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2g0k s TYR 32 Cb -0.10 -0.29 0.03 0.00 -0.40 0.00 0.00 41.96 41.19 2g0k s TYR 32 CO 0.27 -0.16 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.49 2g0k s ASP 33 N -1.64 4.16 -0.09 2.29 1.01 0.55 -3.40 116.67 119.55 2g0k s ASP 33 Ca -0.11 -0.95 -0.09 0.00 0.71 0.00 0.00 52.55 52.11 2g0k s ASP 33 Cb -0.09 -1.61 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2g0k s ASP 33 CO -0.01 -0.12 0.20 -0.69 0.21 0.00 0.00 175.17 174.76 2g0k s VAL 34 N 1.27 5.40 0.10 -1.27 1.01 -0.35 1.44 120.40 128.00 2g0k s VAL 34 Ca -0.01 0.35 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 2g0k s VAL 34 Cb -0.17 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.81 2g0k s VAL 34 CO -0.06 0.61 0.62 -0.83 0.00 0.00 0.00 175.10 175.44 2g0k s GLY 35 N -1.03 -0.60 -0.37 4.51 0.00 2.36 -0.97 107.32 111.22 2g0k s GLY 35 Ca 0.17 0.74 -0.16 0.00 0.00 0.00 0.00 44.72 45.46 2g0k s GLY 35 CO 0.06 0.40 0.42 1.62 0.00 0.00 0.00 173.10 175.60 2g0k s GLN 36 N -2.96 3.43 0.24 2.90 0.74 -1.25 -0.89 119.66 121.86 2g0k s GLN 36 Ca -0.03 -0.48 0.06 0.00 0.05 0.00 0.00 55.36 54.96 2g0k s GLN 36 Cb -0.01 -3.86 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2g0k s GLN 36 CO -0.06 -0.65 0.29 0.00 -0.55 0.00 0.00 175.29 174.32 2g0k s ALA 38 N -2.01 -0.81 0.02 0.00 0.00 0.44 -1.82 121.76 117.59 2g0k s ALA 38 Ca 0.34 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 2g0k s ALA 38 Cb -0.09 -0.45 -0.08 0.00 0.00 0.00 0.00 23.12 22.50 2g0k s ALA 38 CO 0.27 -0.17 1.78 -0.46 0.00 0.00 0.00 175.76 177.18 2g0k s TRP 39 N -0.04 1.86 -0.12 0.00 -0.00 -1.22 -1.02 118.94 118.38 2g0k s TRP 39 Ca -0.02 -0.02 0.04 0.00 -0.00 0.00 0.00 56.10 56.10 2g0k s TRP 39 Cb -0.03 -4.06 -0.10 0.00 -0.00 0.00 0.00 33.47 29.28 2g0k s TRP 39 CO 0.01 -4.53 -0.06 0.28 -0.00 0.00 0.00 176.95 172.65 2g0k n VAL 40 N 5.26 0.76 -3.63 5.86 0.31 -0.90 -4.84 118.33 121.15 2g0k n VAL 40 Ca 0.18 -0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 2g0k n VAL 40 Cb 0.41 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2g0k n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2g0k n ASP 41 N -2.71 -1.13 -4.60 4.52 -0.08 -0.29 -5.02 116.55 107.22 2g0k n ASP 41 Ca -0.22 -2.02 -0.43 0.00 -1.51 0.00 0.00 54.79 50.61 2g0k n ASP 41 Cb 0.79 1.96 -0.02 0.00 2.34 0.00 0.00 41.12 46.18 2g0k n ASP 41 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2g0k s THR 42 N -2.55 3.83 -0.13 5.18 -1.32 -1.26 -2.35 115.64 117.05 2g0k s THR 42 Ca 0.13 0.86 0.00 0.00 -1.21 0.00 0.00 61.69 61.46 2g0k s THR 42 Cb -0.02 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 2g0k s THR 42 CO 0.09 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.45 2g0k n GLY 43 N 5.08 0.48 2.93 6.08 0.00 -1.26 -5.00 105.19 113.50 2g0k n GLY 43 Ca 0.18 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2g0k n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g0k s VAL 44 N -1.90 1.10 0.30 1.61 -7.23 -0.99 -5.13 120.40 108.16 2g0k s VAL 44 Ca 0.00 -0.35 0.09 0.00 -1.81 0.00 0.00 61.98 59.92 2g0k s VAL 44 Cb 0.00 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2g0k s VAL 44 CO 0.00 0.38 0.02 -0.76 -0.31 0.00 0.00 175.10 174.43 2g0k s LEU 45 N 1.57 3.13 -0.05 1.32 1.43 -1.26 -1.14 118.68 123.67 2g0k s LEU 45 Ca 0.03 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2g0k s LEU 45 Cb -0.13 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2g0k s LEU 45 CO -0.07 -0.12 -0.08 0.00 0.23 0.00 0.00 176.35 176.31 2g0k s ALA 46 N -2.40 0.90 0.17 4.21 0.00 -0.19 -3.45 121.76 121.00 2g0k s ALA 46 Ca 0.33 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.14 2g0k s ALA 46 Cb -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2g0k s ALA 46 CO 0.20 0.06 0.09 0.00 0.00 0.00 0.00 175.76 176.11 2g0k s ASN 48 N -3.10 3.32 0.00 0.00 4.22 -0.98 0.27 114.94 118.66 2g0k s ASN 48 Ca 0.30 -0.61 0.16 0.00 -2.14 0.00 0.00 52.86 50.58 2g0k s ASN 48 Cb -0.10 -1.52 0.98 0.00 1.28 0.00 0.00 41.25 41.90 2g0k s ASN 48 CO 0.22 -0.00 1.41 -0.81 -2.04 0.00 0.00 177.10 175.87 2g0k n PRO 49 N 4.64 0.62 0.10 3.55 -0.04 -1.26 -2.35 135.00 140.26 2g0k n PRO 49 Ca -0.21 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.28 2g0k n PRO 49 Cb 0.50 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2g0k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0k h ALA 50 N 3.07 0.66 -0.07 0.55 0.00 -1.96 -3.32 119.26 118.19 2g0k h ALA 50 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2g0k h ALA 50 Cb 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 2g0k h ALA 50 CO 0.00 0.67 -0.62 -0.25 0.00 0.00 0.00 179.25 179.05 2g0k n ASP 51 N -3.06 1.86 -4.56 0.00 8.00 -0.99 -5.01 116.55 112.78 2g0k n ASP 51 Ca -0.02 -3.57 -0.39 0.00 0.71 0.00 0.00 54.79 51.51 2g0k n ASP 51 Cb 0.75 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2g0k s PHE 52 N -2.78 3.22 0.45 1.24 -0.12 -1.21 -3.82 117.98 114.95 2g0k s PHE 52 Ca 0.38 0.02 0.04 0.00 -0.05 0.00 0.00 56.93 57.31 2g0k s PHE 52 Cb 0.38 -2.48 0.04 0.00 -0.63 0.00 0.00 43.02 40.33 2g0k s PHE 52 CO -0.08 -0.28 0.30 0.45 -0.05 0.00 0.00 175.22 175.57 2g0k n SER 53 N 5.15 2.51 -3.79 1.98 2.88 -0.14 -4.98 113.62 117.24 2g0k n SER 53 Ca -0.12 -2.58 -0.11 0.00 -1.33 0.00 0.00 58.87 54.72 2g0k n SER 53 Cb 0.51 -0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 2g0k n SER 53 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2g0k s SER 54 N -3.61 -0.07 0.01 -3.46 1.04 -1.26 -2.52 113.70 103.82 2g0k s SER 54 Ca 0.23 -0.21 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 2g0k s SER 54 Cb -0.02 0.32 0.10 0.00 0.10 0.00 0.00 66.02 66.52 2g0k s SER 54 CO 0.15 -0.55 0.92 0.54 0.98 0.00 0.00 173.24 175.27 2g0k s VAL 55 N -2.29 0.00 -0.06 5.02 0.11 -1.22 -4.98 120.40 116.97 2g0k s VAL 55 Ca -0.07 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2g0k s VAL 55 Cb -0.02 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2g0k s VAL 55 CO -0.02 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.70 2g0k s THR 56 N -3.10 1.37 0.64 5.04 2.01 -1.26 -2.39 115.64 117.95 2g0k s THR 56 Ca 0.06 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.26 2g0k s THR 56 Cb -0.01 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 2g0k s THR 56 CO -0.07 0.40 1.14 0.00 -0.69 0.00 0.00 174.62 175.40 2g0k s ALA 57 N 0.41 2.47 0.48 7.40 0.00 -1.02 -4.80 121.76 126.70 2g0k s ALA 57 Ca -0.12 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2g0k s ALA 57 Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2g0k s ALA 57 CO 0.04 -1.24 0.00 -0.40 0.00 0.00 0.00 175.76 174.16 2g0k n ASP 58 N -2.12 0.00 0.22 0.00 5.75 -0.82 -3.26 116.55 116.32 2g0k n ASP 58 Ca 0.11 -0.64 0.06 0.00 -0.01 0.00 0.00 54.79 54.31 2g0k n ASP 58 Cb 0.51 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.13 2g0k n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0k h ALA 59 N -0.98 1.76 0.00 2.12 0.00 -1.94 0.81 119.26 121.03 2g0k h ALA 59 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0k h ALA 59 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g0k h ALA 59 CO 0.00 0.18 0.00 -1.71 0.00 0.00 0.00 179.25 177.72 2g0k n ASN 60 N -4.38 0.00 -0.12 0.00 5.15 -1.26 -4.80 115.26 109.86 2g0k n ASN 60 Ca -0.02 0.44 -0.02 0.00 -0.60 0.00 0.00 54.58 54.39 2g0k n ASN 60 Cb 0.20 -0.48 -0.01 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 0.65 0.53 3.73 8.20 0.00 0.24 -4.74 105.19 113.79 2g0k n GLY 61 Ca 0.06 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.58 5.60 0.36 1.61 1.04 -1.26 -3.20 113.70 115.27 2g0k s SER 62 Ca 0.00 0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.73 2g0k s SER 62 Cb 0.00 -1.72 -0.07 0.00 0.10 0.00 0.00 66.02 64.33 2g0k s SER 62 CO 0.00 0.35 -0.05 0.00 0.98 0.00 0.00 173.24 174.52 2g0k s ALA 63 N -0.71 2.93 -0.20 5.32 0.00 -1.20 -1.94 121.76 125.96 2g0k s ALA 63 Ca 0.12 -2.14 -0.05 0.00 0.00 0.00 0.00 51.96 49.89 2g0k s ALA 63 Cb -0.12 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.17 2g0k s ALA 63 CO 0.02 -0.01 0.38 -1.12 0.00 0.00 0.00 175.76 175.03 2g0k s SER 64 N -3.62 0.00 0.07 0.00 0.01 -1.26 -2.69 113.70 106.21 2g0k s SER 64 Ca 0.33 0.71 -0.09 0.00 1.31 0.00 0.00 55.95 58.21 2g0k s SER 64 Cb 0.05 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.45 2g0k s SER 64 CO 0.16 -0.25 0.19 0.28 0.41 0.00 0.00 173.24 174.03 2g0k s THR 65 N 2.56 0.13 -0.18 1.44 -1.32 -1.00 -4.95 115.64 112.31 2g0k s THR 65 Ca 0.03 -1.07 -0.03 0.00 -1.21 0.00 0.00 61.69 59.40 2g0k s THR 65 Cb -0.13 -1.17 -0.02 0.00 -1.51 0.00 0.00 72.50 69.67 2g0k s THR 65 CO -0.13 -0.59 -0.05 -0.44 -2.21 0.00 0.00 174.62 171.21 2g0k s SER 66 N -2.55 4.50 0.17 8.08 0.01 -1.26 -2.09 113.70 120.56 2g0k s SER 66 Ca 0.01 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.05 2g0k s SER 66 Cb 0.03 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 2g0k s SER 66 CO -0.08 0.08 0.17 -0.22 0.41 0.00 0.00 173.24 173.59 2g0k s LEU 67 N 0.90 3.90 0.01 2.44 1.98 -0.81 -4.85 118.68 122.25 2g0k s LEU 67 Ca -0.01 -0.08 0.07 0.00 -2.89 0.00 0.00 54.13 51.22 2g0k s LEU 67 Cb -0.15 -2.50 -0.03 0.00 0.66 0.00 0.00 46.19 44.18 2g0k s LEU 67 CO 0.01 0.06 -0.19 0.28 -1.89 0.00 0.00 176.35 174.61 2g0k s THR 68 N -1.78 2.66 -0.19 3.68 -1.32 -1.26 -0.36 115.64 117.07 2g0k s THR 68 Ca 0.32 -1.08 -0.04 0.00 -1.21 0.00 0.00 61.69 59.69 2g0k s THR 68 Cb -0.10 -2.06 -0.02 0.00 -1.51 0.00 0.00 72.50 68.81 2g0k s THR 68 CO 0.24 0.45 -0.04 0.54 -2.21 0.00 0.00 174.62 173.60 2g0k s VAL 69 N -0.81 3.63 0.26 5.08 0.11 -1.22 -4.80 120.40 122.66 2g0k s VAL 69 Ca 0.13 -0.43 0.09 0.00 -2.93 0.00 0.00 61.98 58.83 2g0k s VAL 69 Cb -0.10 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 2g0k s VAL 69 CO 0.03 0.45 0.08 -0.13 -3.33 0.00 0.00 175.10 172.19 2g0k s ARG 70 N 0.92 2.55 0.22 1.54 3.00 -1.26 -3.05 118.95 122.86 2g0k s ARG 70 Ca -0.00 -1.27 0.10 0.00 0.00 0.00 0.00 55.73 54.56 2g0k s ARG 70 Cb -0.15 -2.32 0.15 0.00 0.00 0.00 0.00 34.95 32.63 2g0k s ARG 70 CO 0.01 0.38 1.49 -0.09 0.00 0.00 0.00 175.30 177.09 2g0k h ARG 71 N 1.74 0.00 -2.25 3.54 2.43 -1.95 -3.41 114.38 114.49 2g0k h ARG 71 Ca -0.46 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.77 2g0k h ARG 71 Cb 1.24 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.63 2g0k h ARG 71 CO 0.60 0.74 0.41 -1.54 -1.51 0.00 0.00 179.97 178.67 2g0k s SER 72 N -6.74 -0.44 -0.06 -3.80 1.04 -1.26 0.36 113.70 102.81 2g0k s SER 72 Ca -0.00 0.16 -0.32 0.00 0.48 0.00 0.00 55.95 56.28 2g0k s SER 72 Cb 0.11 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2g0k s SER 72 CO 0.78 -0.63 1.26 0.72 0.98 0.00 0.00 173.24 176.34 2g0k s PHE 73 N -2.64 -0.07 -0.04 5.02 -0.12 -0.89 -4.94 117.98 114.30 2g0k s PHE 73 Ca 0.01 -0.03 -0.30 0.00 -0.05 0.00 0.00 56.93 56.57 2g0k s PHE 73 Cb -0.01 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.86 2g0k s PHE 73 CO -0.06 -0.27 1.82 -1.83 -0.05 0.00 0.00 175.22 174.84 2g0k s GLU 74 N -2.44 4.05 -1.10 1.99 -1.05 -1.26 -0.68 118.70 118.21 2g0k s GLU 74 Ca 0.13 2.30 -0.22 0.00 -0.15 0.00 0.00 54.97 57.03 2g0k s GLU 74 Cb 0.03 -4.09 -0.00 0.00 -0.44 0.00 0.00 34.13 29.63 2g0k s GLU 74 CO -0.04 -1.02 1.76 0.20 0.95 0.00 0.00 175.26 177.11 2g0k s GLY 75 N 4.23 0.82 -0.75 -3.83 0.00 0.22 -3.78 107.32 104.22 2g0k s GLY 75 Ca 0.81 -2.20 -0.25 0.00 0.00 0.00 0.00 44.72 43.08 2g0k s GLY 75 CO 0.35 3.10 1.19 -1.36 0.00 0.00 0.00 173.10 176.38 2g0k s PHE 76 N 7.51 2.47 0.24 1.90 0.08 0.75 -0.87 117.98 130.05 2g0k s PHE 76 Ca 0.59 -0.35 -0.31 0.00 0.12 0.00 0.00 56.93 56.98 2g0k s PHE 76 Cb -0.01 -4.51 -0.13 0.00 -0.57 0.00 0.00 43.02 37.80 2g0k s PHE 76 CO 0.02 -1.90 1.41 -0.11 -0.10 0.00 0.00 175.22 174.54 2g0k n LEU 77 N 8.67 3.09 -0.35 -0.37 7.94 -0.39 0.60 117.00 136.19 2g0k n LEU 77 Ca 0.04 1.14 0.25 0.00 -1.11 0.00 0.00 56.01 56.34 2g0k n LEU 77 Cb 0.48 -1.43 0.51 0.00 0.53 0.00 0.00 43.42 43.51 2g0k n LEU 77 CO 0.67 -0.49 1.17 2.19 -1.11 0.00 0.00 177.39 179.82 2g0k h PHE 78 N 4.22 0.80 0.00 1.96 -5.15 -1.89 2.22 116.94 119.11 2g0k h PHE 78 Ca -0.45 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2g0k h PHE 78 Cb 1.28 -0.22 0.00 0.00 0.22 0.00 0.00 35.95 37.23 2g0k h PHE 78 CO 0.56 -0.10 0.10 0.22 -2.00 0.00 0.00 178.31 177.09 2g0k h ASP 79 N 0.33 0.00 0.00 -0.68 1.82 -1.94 -3.44 116.42 112.50 2g0k h ASP 79 Ca 0.71 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.35 2g0k h ASP 79 Cb 1.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.77 2g0k h ASP 79 CO -0.49 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.75 2g0k n GLY 80 N -1.22 1.56 3.26 -0.78 0.00 0.75 -5.08 105.19 103.68 2g0k n GLY 80 Ca -0.02 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 3.28 -0.76 2.61 2.01 -1.09 -4.91 115.64 114.78 2g0k s THR 81 Ca 0.00 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 2g0k s THR 81 Cb 0.00 -2.64 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 2g0k s THR 81 CO 0.00 0.20 2.11 0.00 -0.69 0.00 0.00 174.62 176.24 2g0k s ARG 82 N 1.40 2.26 0.04 4.92 1.70 -1.26 -1.26 118.95 126.75 2g0k s ARG 82 Ca 0.02 0.32 -0.30 0.00 -0.47 0.00 0.00 55.73 55.30 2g0k s ARG 82 Cb -0.16 -4.79 -0.17 0.00 -0.57 0.00 0.00 34.95 29.25 2g0k s ARG 82 CO -0.02 -3.52 1.36 2.35 -1.08 0.00 0.00 175.30 174.39 2g0k h TRP 83 N 13.50 -0.84 0.00 5.89 2.91 -1.33 -3.49 115.95 132.59 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 1.07 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 2g0k h TRP 83 CO 1.13 -0.49 0.00 0.41 -1.03 0.00 0.00 178.44 178.47 2g0k n GLY 84 N -0.99 2.14 3.77 2.65 0.00 -1.22 -4.96 105.19 106.57 2g0k n GLY 84 Ca -0.13 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.38 2.19 -4.27 2.61 -1.04 -1.26 0.68 114.28 111.81 2g0k n THR 85 Ca 0.00 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.29 2g0k n THR 85 Cb 0.00 -1.92 -0.12 0.00 -1.82 0.00 0.00 70.33 66.47 2g0k n THR 85 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2g0k s VAL 86 N -1.14 1.58 -0.43 12.58 0.11 0.14 -4.78 120.40 128.47 2g0k s VAL 86 Ca 0.55 -1.60 -0.05 0.00 -2.93 0.00 0.00 61.98 57.95 2g0k s VAL 86 Cb -0.48 -1.52 0.11 0.00 -1.53 0.00 0.00 36.38 32.96 2g0k s VAL 86 CO 0.62 -0.18 0.25 -1.81 -3.33 0.00 0.00 175.10 170.65 2g0k s ASP 87 N -2.09 5.42 0.59 3.54 1.11 -1.26 -2.10 116.67 121.88 2g0k s ASP 87 Ca 0.07 -1.92 0.29 0.00 0.18 0.00 0.00 52.55 51.16 2g0k s ASP 87 Cb -0.09 -1.90 1.52 0.00 1.07 0.00 0.00 42.92 43.52 2g0k s ASP 87 CO 0.04 -0.58 1.95 0.00 1.18 0.00 0.00 175.17 177.76 2g0k n THR 89 N -3.76 0.00 -0.02 0.00 -2.24 -1.23 -3.47 114.28 103.55 2g0k n THR 89 Ca 0.07 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2g0k n THR 89 Cb 0.58 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 2g0k n THR 89 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2g0k n THR 90 N -0.84 0.25 -4.34 4.28 -1.04 0.52 -5.06 114.28 108.05 2g0k n THR 90 Ca 0.20 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.05 61.88 2g0k n THR 90 Cb 0.20 -0.62 -0.04 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.07 0.27 -2.66 2.41 0.00 0.30 -5.04 120.51 113.73 2g0k n ALA 91 Ca -0.06 -1.17 -0.37 0.00 0.00 0.00 0.00 53.44 51.83 2g0k n ALA 91 Cb 0.54 0.71 -0.09 0.00 0.00 0.00 0.00 19.45 20.62 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 -2.54 3.58 0.14 0.00 0.00 -1.26 -4.64 121.76 117.05 2g0k s ALA 92 Ca 0.06 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.31 2g0k s ALA 92 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2g0k s ALA 92 CO 0.04 -0.28 0.15 0.00 0.00 0.00 0.00 175.76 175.66 2g0k s GLN 94 N -2.94 0.89 0.28 0.00 -2.07 -0.76 0.17 119.66 115.24 2g0k s GLN 94 Ca 0.31 0.57 0.06 0.00 -1.82 0.00 0.00 55.36 54.48 2g0k s GLN 94 Cb -0.11 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2g0k s GLN 94 CO 0.24 -0.20 0.37 0.08 -1.32 0.00 0.00 175.29 174.46 2g0k s VAL 95 N -0.42 4.55 -0.08 3.63 1.01 -0.99 0.08 120.40 128.18 2g0k s VAL 95 Ca -0.06 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 60.52 2g0k s VAL 95 Cb -0.03 -3.57 0.12 0.00 0.00 0.00 0.00 36.38 32.90 2g0k s VAL 95 CO 0.05 -0.26 1.18 -0.83 0.00 0.00 0.00 175.10 175.25 2g0k s GLY 96 N -4.03 -0.35 0.26 4.51 0.00 -0.07 -3.48 107.32 104.16 2g0k s GLY 96 Ca 0.38 1.11 0.06 0.00 0.00 0.00 0.00 44.72 46.27 2g0k s GLY 96 CO 0.29 0.33 0.33 1.08 0.00 0.00 0.00 173.10 175.13 2g0k s LEU 97 N -2.55 4.12 -0.22 0.66 1.02 0.43 0.58 118.68 122.71 2g0k s LEU 97 Ca 0.11 -0.07 -0.07 0.00 0.02 0.00 0.00 54.13 54.12 2g0k s LEU 97 Cb 0.01 -2.69 0.10 0.00 0.02 0.00 0.00 46.19 43.63 2g0k s LEU 97 CO -0.04 -0.12 0.46 -0.94 0.02 0.00 0.00 176.35 175.72 2g0k s SER 98 N -3.97 -0.39 0.00 2.29 1.04 14.44 -3.77 113.70 123.33 2g0k s SER 98 Ca 0.36 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2g0k s SER 98 Cb -0.09 1.50 0.00 0.00 0.10 0.00 0.00 66.02 67.54 2g0k s SER 98 CO 0.28 -0.23 0.00 -0.90 0.98 0.00 0.00 173.24 173.37 2g0k n ASP 99 N 5.40 1.51 0.27 7.02 5.75 -1.26 -0.33 116.55 134.91 2g0k n ASP 99 Ca -0.09 -0.71 0.14 0.00 -0.01 0.00 0.00 54.79 54.12 2g0k n ASP 99 Cb 0.49 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 41.25 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 1.63 0.00 2.12 0.00 -1.98 0.65 119.26 122.45 2g0k h ALA 100 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2g0k h ALA 100 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2g0k h ALA 100 CO 0.00 -0.54 -1.93 0.00 0.00 0.00 0.00 179.25 176.78 2g0k n ALA 101 N -1.92 2.17 -0.90 0.00 0.00 -1.26 -5.00 120.51 113.60 2g0k n ALA 101 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2g0k n ALA 101 Cb 0.56 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2g0k n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g0k n GLY 102 N 1.74 0.63 0.00 0.00 0.00 0.23 -5.06 105.19 102.73 2g0k n GLY 102 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 1.43 0.00 0.00 1.61 2.04 -1.26 -4.63 115.26 114.45 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 0.09 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 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 4.59 3.78 4.83 0.00 -1.26 -4.10 105.19 113.04 2g0k n GLY 104 Ca 0.00 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.62 2.32 -0.19 1.61 0.04 -1.26 -4.04 135.00 129.86 2g0k s PRO 105 Ca 0.00 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 2g0k s PRO 105 Cb 0.00 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 2g0k s PRO 105 CO 0.00 -1.54 0.89 0.39 0.04 0.00 0.00 177.00 176.78 2g0k n GLU 106 N -3.42 0.00 -1.16 4.56 -0.58 0.23 -4.21 120.64 116.06 2g0k n GLU 106 Ca 0.08 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.39 2g0k n GLU 106 Cb 0.54 -0.96 -0.04 0.00 -0.57 0.00 0.00 31.44 30.41 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g0k n GLY 107 N 1.93 -0.81 3.21 0.62 0.00 -1.26 -4.73 105.19 104.14 2g0k n GLY 107 Ca 0.17 0.44 -0.39 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.40 3.92 0.16 1.61 1.01 -1.23 -5.06 120.40 120.41 2g0k s VAL 108 Ca 0.62 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 2g0k s VAL 108 Cb -0.88 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 2g0k s VAL 108 CO 0.45 -0.61 0.72 0.00 0.00 0.00 0.00 175.10 175.66 2g0k s ALA 109 N 1.33 3.47 0.37 5.51 0.00 -1.26 -2.34 121.76 128.84 2g0k s ALA 109 Ca 0.05 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.33 2g0k s ALA 109 Cb -0.24 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2g0k s ALA 109 CO -0.01 0.32 0.25 0.42 0.00 0.00 0.00 175.76 176.75 2g0k s ILE 110 N -1.23 2.90 -0.17 0.00 1.01 0.44 -4.92 121.20 119.22 2g0k s ILE 110 Ca 0.36 -1.52 -0.07 0.00 0.00 0.00 0.00 60.65 59.42 2g0k s ILE 110 Cb -0.21 -3.03 0.07 0.00 0.01 0.00 0.00 42.46 39.30 2g0k s ILE 110 CO 0.23 -0.09 0.37 -0.55 0.00 0.00 0.00 174.94 174.90 2g0k s SER 111 N -3.97 -0.21 -0.23 3.58 0.15 -1.14 -4.28 113.70 107.60 2g0k s SER 111 Ca 0.42 0.85 -0.11 0.00 0.70 0.00 0.00 55.95 57.81 2g0k s SER 111 Cb -0.02 0.99 -0.05 0.00 -1.71 0.00 0.00 66.02 65.23 2g0k s SER 111 CO 0.25 -0.22 0.17 -0.36 1.20 0.00 0.00 173.24 174.28 2g0k s PHE 112 N 2.14 3.34 0.00 3.44 0.40 -1.26 -3.65 117.98 122.39 2g0k s PHE 112 Ca -0.04 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 2g0k s PHE 112 Cb -0.11 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.16 2g0k s PHE 112 CO -0.12 0.11 0.00 0.27 0.70 0.00 0.00 175.22 176.19