#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 2.58 1.15 0.00 0.00 -1.26 -4.56 121.76 119.67 2g0k s ALA 2 Ca 0.00 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 2g0k s ALA 2 Cb 0.00 -1.54 0.24 0.00 0.00 0.00 0.00 23.12 21.82 2g0k s ALA 2 CO 0.00 -0.80 0.96 -0.35 0.00 0.00 0.00 175.76 175.56 2g0k n PRO 3 N 4.59 -2.35 -3.50 0.00 -0.04 -1.26 -3.99 135.00 128.44 2g0k n PRO 3 Ca -0.17 -1.52 -0.42 0.00 -0.04 0.00 0.00 63.50 61.35 2g0k n PRO 3 Cb 0.46 -1.30 -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 0.99 -0.04 0.00 0.00 175.50 176.45 2g0k s THR 4 N -2.84 5.09 0.01 0.52 2.01 0.97 -1.87 115.64 119.52 2g0k s THR 4 Ca 0.60 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.00 2g0k s THR 4 Cb -0.05 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2g0k s THR 4 CO 0.45 -0.25 -0.19 0.00 -0.69 0.00 0.00 174.62 173.93 2g0k s ALA 5 N 1.65 1.59 -0.30 7.40 0.00 -1.23 0.72 121.76 131.60 2g0k s ALA 5 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 2g0k s ALA 5 Cb -0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2g0k s ALA 5 CO 0.09 0.37 0.11 0.95 0.00 0.00 0.00 175.76 177.29 2g0k s THR 6 N -0.59 4.34 0.11 0.00 -4.23 0.86 -4.81 115.64 111.31 2g0k s THR 6 Ca 0.07 -0.47 0.08 0.00 -1.18 0.00 0.00 61.69 60.19 2g0k s THR 6 Cb -0.08 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 2g0k s THR 6 CO 0.00 0.12 -0.14 0.68 -0.54 0.00 0.00 174.62 174.74 2g0k s VAL 7 N 1.58 3.09 0.91 2.29 -7.23 -1.24 -0.90 120.40 118.90 2g0k s VAL 7 Ca 0.04 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 2g0k s VAL 7 Cb -0.17 -2.43 0.14 0.00 0.56 0.00 0.00 36.38 34.48 2g0k s VAL 7 CO 0.04 0.12 1.09 0.28 -0.31 0.00 0.00 175.10 176.32 2g0k s THR 8 N -1.17 2.58 -0.14 5.32 -1.32 -0.35 -4.86 115.64 115.70 2g0k s THR 8 Ca 0.19 0.19 -0.29 0.00 -1.21 0.00 0.00 61.69 60.57 2g0k s THR 8 Cb -0.11 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.21 2g0k s THR 8 CO 0.12 -0.25 1.40 -2.16 -2.21 0.00 0.00 174.62 171.52 2g0k s PRO 9 N -4.91 4.19 -0.06 7.08 0.04 -1.26 -4.60 135.00 135.47 2g0k s PRO 9 Ca 0.64 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.59 2g0k s PRO 9 Cb -0.18 -3.85 0.14 0.00 0.04 0.00 0.00 34.50 30.65 2g0k s PRO 9 CO 0.57 -0.79 1.04 0.45 0.04 0.00 0.00 177.00 178.31 2g0k n SER 10 N 6.89 1.79 -4.40 6.66 2.88 -1.26 -4.92 113.62 121.26 2g0k n SER 10 Ca 0.15 -2.47 -0.39 0.00 -1.33 0.00 0.00 58.87 54.84 2g0k n SER 10 Cb 0.44 -0.24 -0.12 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.86 5.51 0.00 -3.46 1.04 -1.06 -4.21 113.70 109.66 2g0k s SER 11 Ca 0.16 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2g0k s SER 11 Cb 0.14 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2g0k s SER 11 CO 0.01 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2g0k n GLY 12 N 4.96 0.99 3.43 7.32 0.00 -0.79 -4.51 105.19 116.59 2g0k n GLY 12 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2g0k n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2g0k s LEU 13 N 0.00 2.68 0.81 0.99 0.05 -1.26 -4.36 118.68 117.59 2g0k s LEU 13 Ca 0.00 -0.26 -0.11 0.00 0.05 0.00 0.00 54.13 53.81 2g0k s LEU 13 Cb 0.00 -1.56 0.09 0.00 -2.05 0.00 0.00 46.19 42.68 2g0k s LEU 13 CO 0.00 0.29 1.17 -0.44 -0.55 0.00 0.00 176.35 176.81 2g0k s SER 14 N -0.37 4.36 0.73 1.48 0.01 -1.26 -4.83 113.70 113.81 2g0k s SER 14 Ca 0.04 0.64 -0.17 0.00 1.31 0.00 0.00 55.95 57.77 2g0k s SER 14 Cb -0.12 -1.09 -0.10 0.00 0.21 0.00 0.00 66.02 64.92 2g0k s SER 14 CO 0.02 -1.97 0.02 -0.90 0.41 0.00 0.00 173.24 170.82 2g0k n ASP 15 N -3.30 -3.11 0.00 2.44 5.75 -1.26 -2.74 116.55 114.33 2g0k n ASP 15 Ca 0.09 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 2g0k n ASP 15 Cb 0.61 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 2.33 3.30 3.73 6.12 0.00 -1.21 -4.99 105.19 114.47 2g0k n GLY 16 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.98 3.14 -0.28 2.61 2.01 -1.11 -4.96 115.64 114.07 2g0k s THR 17 Ca 0.00 0.86 -0.10 0.00 0.31 0.00 0.00 61.69 62.76 2g0k s THR 17 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2g0k s THR 17 CO 0.00 0.09 0.16 0.54 -0.69 0.00 0.00 174.62 174.72 2g0k s VAL 18 N 0.68 4.97 0.28 3.82 0.11 -1.26 -2.72 120.40 126.28 2g0k s VAL 18 Ca 0.62 -0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.72 2g0k s VAL 18 Cb -0.38 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2g0k s VAL 18 CO 0.34 0.24 0.41 0.68 -3.33 0.00 0.00 175.10 173.45 2g0k s VAL 19 N 1.70 4.98 0.11 2.04 -7.23 0.17 -4.97 120.40 117.21 2g0k s VAL 19 Ca 0.07 -0.92 0.10 0.00 -1.81 0.00 0.00 61.98 59.42 2g0k s VAL 19 Cb -0.16 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 2g0k s VAL 19 CO 0.08 -0.32 -0.26 -0.75 -0.31 0.00 0.00 175.10 173.54 2g0k s LYS 20 N -4.07 1.52 -0.22 4.82 2.36 -1.26 -0.56 119.74 122.32 2g0k s LYS 20 Ca 0.37 -1.28 -0.03 0.00 -2.55 0.00 0.00 55.97 52.48 2g0k s LYS 20 Cb -0.09 -1.93 0.07 0.00 -1.05 0.00 0.00 37.83 34.83 2g0k s LYS 20 CO 0.30 0.47 0.07 0.08 1.55 0.00 0.00 175.35 177.82 2g0k s VAL 21 N -1.01 0.41 -0.23 4.02 1.01 -0.94 -1.21 120.40 122.45 2g0k s VAL 21 Ca 0.14 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2g0k s VAL 21 Cb -0.10 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2g0k s VAL 21 CO 0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 175.10 174.68 2g0k s ALA 22 N 1.90 2.57 0.30 5.51 0.00 -0.08 -2.27 121.76 129.68 2g0k s ALA 22 Ca 0.02 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 2g0k s ALA 22 Cb -0.17 -1.51 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 2g0k s ALA 22 CO -0.15 -0.68 0.81 0.20 0.00 0.00 0.00 175.76 175.94 2g0k s GLY 23 N 1.29 2.55 -0.21 0.00 0.00 -1.14 0.30 107.32 110.11 2g0k s GLY 23 Ca 0.01 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 2g0k s GLY 23 CO -0.07 0.57 0.26 0.00 0.00 0.00 0.00 173.10 173.86 2g0k s ALA 24 N -1.76 -0.49 0.00 3.20 0.00 3.57 -3.24 121.76 123.04 2g0k s ALA 24 Ca 0.50 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2g0k s ALA 24 Cb -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2g0k s ALA 24 CO 0.19 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2g0k n GLY 25 N 5.33 0.99 3.96 0.00 0.00 -1.21 -0.02 105.19 114.24 2g0k n GLY 25 Ca -0.05 -0.02 -0.23 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 3.05 -0.10 0.99 1.02 -1.19 -4.67 118.68 117.77 2g0k s LEU 26 Ca 0.00 0.05 -0.35 0.00 0.02 0.00 0.00 54.13 53.85 2g0k s LEU 26 Cb 0.00 -2.70 -0.12 0.00 0.02 0.00 0.00 46.19 43.39 2g0k s LEU 26 CO 0.00 -1.51 1.86 0.00 0.02 0.00 0.00 176.35 176.72 2g0k n GLN 27 N -2.68 2.07 -2.37 1.70 6.02 -1.26 -4.66 117.38 116.19 2g0k n GLN 27 Ca 0.10 0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 57.43 2g0k n GLN 27 Cb 0.60 -2.59 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 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 3.95 3.43 0.00 -1.58 0.00 -1.26 -2.30 121.76 123.99 2g0k s ALA 28 Ca 0.93 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2g0k s ALA 28 Cb -0.73 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2g0k s ALA 28 CO 0.53 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2g0k n GLY 29 N 3.00 0.54 3.86 0.00 0.00 -0.95 -4.95 105.19 106.69 2g0k n GLY 29 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.33 5.02 0.34 2.61 2.01 -0.97 -4.82 115.64 117.50 2g0k s THR 30 Ca 0.00 0.61 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 2g0k s THR 30 Cb 0.00 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 2g0k s THR 30 CO 0.00 0.33 0.74 0.00 -0.69 0.00 0.00 174.62 174.99 2g0k s ALA 31 N -1.36 3.34 0.01 7.40 0.00 -1.26 -2.16 121.76 127.73 2g0k s ALA 31 Ca 0.33 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2g0k s ALA 31 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2g0k s ALA 31 CO 0.18 0.24 -0.03 0.71 0.00 0.00 0.00 175.76 176.86 2g0k s TYR 32 N -2.09 0.26 -0.29 0.00 2.02 -0.97 -4.18 117.35 112.11 2g0k s TYR 32 Ca 0.53 -0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.95 2g0k s TYR 32 Cb -0.10 -0.17 0.03 0.00 -0.40 0.00 0.00 41.96 41.32 2g0k s TYR 32 CO 0.22 -0.07 0.01 0.34 -1.57 0.00 0.00 175.55 174.48 2g0k s ASP 33 N -0.68 4.80 0.12 2.29 2.15 3.59 -3.28 116.67 125.65 2g0k s ASP 33 Ca -0.06 -0.96 -0.00 0.00 0.43 0.00 0.00 52.55 51.96 2g0k s ASP 33 Cb -0.05 -1.76 -0.04 0.00 -0.30 0.00 0.00 42.92 40.77 2g0k s ASP 33 CO -0.00 -0.20 0.28 -0.69 -0.17 0.00 0.00 175.17 174.38 2g0k s VAL 34 N 1.36 5.32 -0.27 1.11 1.01 -1.01 1.72 120.40 129.65 2g0k s VAL 34 Ca -0.01 -0.42 -0.38 0.00 0.00 0.00 0.00 61.98 61.18 2g0k s VAL 34 Cb -0.18 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.68 2g0k s VAL 34 CO -0.01 0.02 1.34 -0.83 0.00 0.00 0.00 175.10 175.62 2g0k s GLY 35 N -2.80 -0.21 -0.30 4.51 0.00 4.91 -1.58 107.32 111.85 2g0k s GLY 35 Ca 0.36 1.87 -0.13 0.00 0.00 0.00 0.00 44.72 46.83 2g0k s GLY 35 CO 0.28 0.63 0.26 1.62 0.00 0.00 0.00 173.10 175.89 2g0k s GLN 36 N -2.09 3.83 0.34 2.90 0.74 -1.25 -0.85 119.66 123.29 2g0k s GLN 36 Ca 0.11 -0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.28 2g0k s GLN 36 Cb -0.01 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 2g0k s GLN 36 CO -0.03 -0.29 0.24 0.00 -0.55 0.00 0.00 175.29 174.66 2g0k s ALA 38 N -2.37 -1.10 0.00 0.00 0.00 0.39 -2.73 121.76 115.97 2g0k s ALA 38 Ca 0.40 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 2g0k s ALA 38 Cb -0.04 -1.20 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 2g0k s ALA 38 CO 0.25 -0.62 1.67 -0.46 0.00 0.00 0.00 175.76 176.60 2g0k s TRP 39 N 2.28 2.11 -0.25 0.00 -0.00 -1.26 -1.21 118.94 120.61 2g0k s TRP 39 Ca -0.04 0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 56.22 2g0k s TRP 39 Cb -0.11 -3.95 -0.14 0.00 -0.00 0.00 0.00 33.47 29.27 2g0k s TRP 39 CO -0.13 -3.96 -0.27 1.33 -0.00 0.00 0.00 176.95 173.92 2g0k n VAL 40 N 5.17 1.41 -4.27 5.86 0.24 0.49 -4.92 118.33 122.31 2g0k n VAL 40 Ca 0.17 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.87 2g0k n VAL 40 Cb 0.42 -1.59 -0.10 0.00 -1.47 0.00 0.00 33.84 31.10 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 -6.81 1.00 -0.25 -1.34 -1.08 0.16 -5.00 116.67 103.36 2g0k s ASP 41 Ca -0.34 -1.31 -0.33 0.00 -0.52 0.00 0.00 52.55 50.04 2g0k s ASP 41 Cb 0.11 0.19 -0.10 0.00 -1.46 0.00 0.00 42.92 41.66 2g0k s ASP 41 CO 0.51 -0.70 2.10 1.07 0.52 0.00 0.00 175.17 178.68 2g0k n THR 42 N -0.35 0.33 -0.97 1.71 5.66 -1.26 0.11 114.28 119.52 2g0k n THR 42 Ca -0.02 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 2g0k n THR 42 Cb 0.65 -1.91 0.00 0.00 -1.55 0.00 0.00 70.33 67.52 2g0k n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0k n GLY 43 N 5.73 0.30 3.05 1.09 0.00 -1.26 -4.96 105.19 109.14 2g0k n GLY 43 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.69 2.08 0.31 1.61 1.01 0.31 -5.10 120.40 118.94 2g0k s VAL 44 Ca 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 61.98 60.45 2g0k s VAL 44 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 2g0k s VAL 44 CO 0.00 -0.09 -0.15 -1.48 0.00 0.00 0.00 175.10 173.38 2g0k s LEU 45 N 1.13 2.67 0.10 3.92 0.05 -1.26 0.39 118.68 125.67 2g0k s LEU 45 Ca -0.07 -1.10 0.06 0.00 0.05 0.00 0.00 54.13 53.07 2g0k s LEU 45 Cb -0.20 -1.07 -0.03 0.00 -2.05 0.00 0.00 46.19 42.84 2g0k s LEU 45 CO -0.06 -0.08 -0.15 0.00 -0.55 0.00 0.00 176.35 175.52 2g0k s ALA 46 N -2.55 1.39 0.24 1.48 0.00 -0.35 -3.79 121.76 118.17 2g0k s ALA 46 Ca 0.31 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 51.23 2g0k s ALA 46 Cb -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2g0k s ALA 46 CO 0.16 0.17 -0.15 0.00 0.00 0.00 0.00 175.76 175.94 2g0k s ASN 48 N -3.20 4.44 0.00 0.00 2.47 -1.04 0.18 114.94 117.78 2g0k s ASN 48 Ca 0.27 -1.08 0.20 0.00 0.42 0.00 0.00 52.86 52.67 2g0k s ASN 48 Cb -0.07 -1.65 1.16 0.00 -1.45 0.00 0.00 41.25 39.24 2g0k s ASN 48 CO 0.15 -0.17 1.57 -0.81 -3.72 0.00 0.00 177.10 174.12 2g0k n PRO 49 N 4.61 0.59 0.03 0.43 -0.04 -1.26 -2.02 135.00 137.33 2g0k n PRO 49 Ca -0.15 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2g0k n PRO 49 Cb 0.45 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.03 3.31 -2.03 0.55 0.00 -1.26 -4.00 120.51 116.05 2g0k n ALA 50 Ca 0.14 -0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.30 2g0k n ALA 50 Cb 0.08 -1.10 0.08 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 -1.82 1.13 -4.56 0.00 5.68 -0.85 -5.04 116.55 111.08 2g0k n ASP 51 Ca 0.04 -2.59 -0.40 0.00 -0.50 0.00 0.00 54.79 51.34 2g0k n ASP 51 Cb 0.39 -0.35 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 2g0k n ASP 51 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2g0k s PHE 52 N -1.11 3.22 0.54 2.11 -0.12 -1.16 -3.83 117.98 117.64 2g0k s PHE 52 Ca 0.28 0.06 0.07 0.00 -0.05 0.00 0.00 56.93 57.29 2g0k s PHE 52 Cb 0.30 -2.54 0.05 0.00 -0.63 0.00 0.00 43.02 40.19 2g0k s PHE 52 CO -0.09 -0.31 0.52 0.45 -0.05 0.00 0.00 175.22 175.74 2g0k s SER 53 N 1.72 4.81 0.01 1.98 0.15 -0.62 -4.96 113.70 116.79 2g0k s SER 53 Ca 0.10 -1.09 -0.10 0.00 0.70 0.00 0.00 55.95 55.57 2g0k s SER 53 Cb -0.16 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2g0k s SER 53 CO 0.11 -1.14 0.20 -0.94 1.20 0.00 0.00 173.24 172.66 2g0k s SER 54 N -4.39 -0.02 0.04 5.45 1.04 -1.26 -2.40 113.70 112.16 2g0k s SER 54 Ca 0.43 -0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.40 2g0k s SER 54 Cb -0.03 0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.43 2g0k s SER 54 CO 0.27 -0.45 0.90 0.54 0.98 0.00 0.00 173.24 175.48 2g0k s VAL 55 N -1.74 0.00 -0.04 5.02 0.11 -1.21 -5.00 120.40 117.54 2g0k s VAL 55 Ca -0.11 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 2g0k s VAL 55 Cb -0.05 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 2g0k s VAL 55 CO 0.01 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.74 2g0k s THR 56 N -3.19 1.24 0.38 5.04 2.01 -1.26 -2.30 115.64 117.57 2g0k s THR 56 Ca 0.07 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 2g0k s THR 56 Cb -0.01 -1.08 -0.09 0.00 0.01 0.00 0.00 72.50 71.33 2g0k s THR 56 CO -0.06 0.37 1.16 0.00 -0.69 0.00 0.00 174.62 175.40 2g0k s ALA 57 N 0.15 3.21 0.93 7.40 0.00 -0.92 -4.75 121.76 127.77 2g0k s ALA 57 Ca -0.05 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 2g0k s ALA 57 Cb -0.11 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.69 2g0k s ALA 57 CO 0.02 -0.47 0.36 -0.40 0.00 0.00 0.00 175.76 175.27 2g0k n ASP 58 N 0.25 0.08 0.27 0.00 5.68 -0.48 -2.23 116.55 120.12 2g0k n ASP 58 Ca 0.03 -1.16 0.13 0.00 -0.50 0.00 0.00 54.79 53.29 2g0k n ASP 58 Cb 0.46 -0.27 0.76 0.00 -1.14 0.00 0.00 41.12 40.94 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 -1.74 1.41 0.00 2.12 0.00 -1.92 0.86 119.26 119.99 2g0k h ALA 59 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2g0k h ALA 59 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2g0k h ALA 59 CO 0.09 0.11 0.00 -1.71 0.00 0.00 0.00 179.25 177.73 2g0k n ASN 60 N -3.79 0.00 -0.78 0.00 5.15 -1.26 -4.83 115.26 109.75 2g0k n ASN 60 Ca -0.02 0.15 -0.06 0.00 -0.60 0.00 0.00 54.58 54.04 2g0k n ASN 60 Cb 0.19 -0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 39.07 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 0.77 0.16 3.19 8.20 0.00 0.27 -4.80 105.19 112.98 2g0k n GLY 61 Ca 0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.76 2.06 0.24 1.61 1.04 -1.26 -3.14 113.70 111.49 2g0k s SER 62 Ca 0.02 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.04 2g0k s SER 62 Cb -0.01 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 2g0k s SER 62 CO 0.02 0.13 0.01 0.00 0.98 0.00 0.00 173.24 174.38 2g0k s ALA 63 N -0.70 1.87 -0.13 5.32 0.00 -1.20 -1.39 121.76 125.54 2g0k s ALA 63 Ca 0.05 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.15 2g0k s ALA 63 Cb -0.08 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.65 2g0k s ALA 63 CO 0.01 -0.27 0.28 -1.54 0.00 0.00 0.00 175.76 174.24 2g0k s SER 64 N -3.33 -0.06 0.27 0.00 1.04 -1.26 -2.86 113.70 107.50 2g0k s SER 64 Ca 0.30 0.62 -0.06 0.00 0.48 0.00 0.00 55.95 57.29 2g0k s SER 64 Cb 0.06 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2g0k s SER 64 CO 0.10 -0.20 0.38 -0.89 0.98 0.00 0.00 173.24 173.61 2g0k s THR 65 N 1.78 0.00 -0.20 2.02 2.01 -0.96 -4.95 115.64 115.34 2g0k s THR 65 Ca -0.05 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.30 2g0k s THR 65 Cb -0.11 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 70.03 2g0k s THR 65 CO -0.09 0.00 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.39 2g0k s SER 66 N -3.14 3.12 0.23 3.53 0.01 -1.26 -2.22 113.70 113.98 2g0k s SER 66 Ca 0.30 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2g0k s SER 66 Cb 0.01 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 2g0k s SER 66 CO 0.14 -0.26 0.41 -0.22 0.41 0.00 0.00 173.24 173.72 2g0k s LEU 67 N 1.69 4.21 -0.02 2.44 0.20 0.27 -4.90 118.68 122.57 2g0k s LEU 67 Ca -0.02 0.34 0.07 0.00 0.69 0.00 0.00 54.13 55.21 2g0k s LEU 67 Cb -0.17 -3.13 -0.02 0.00 -0.43 0.00 0.00 46.19 42.44 2g0k s LEU 67 CO -0.07 -0.09 -0.24 0.28 -0.29 0.00 0.00 176.35 175.93 2g0k s THR 68 N -1.96 2.19 -0.13 3.68 -1.32 -1.26 0.45 115.64 117.28 2g0k s THR 68 Ca 0.38 -1.06 -0.02 0.00 -1.21 0.00 0.00 61.69 59.78 2g0k s THR 68 Cb -0.10 -1.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.09 2g0k s THR 68 CO 0.30 0.58 -0.05 0.54 -2.21 0.00 0.00 174.62 173.79 2g0k s VAL 69 N -0.62 3.82 0.31 5.08 0.11 -1.10 -4.80 120.40 123.20 2g0k s VAL 69 Ca 0.10 -0.40 0.11 0.00 -2.93 0.00 0.00 61.98 58.86 2g0k s VAL 69 Cb -0.10 -2.64 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 2g0k s VAL 69 CO -0.01 0.53 -0.15 -0.13 -3.33 0.00 0.00 175.10 172.02 2g0k s ARG 70 N -0.05 1.75 0.31 1.54 1.81 -1.26 -3.33 118.95 119.72 2g0k s ARG 70 Ca 0.01 -1.84 0.24 0.00 -1.72 0.00 0.00 55.73 52.42 2g0k s ARG 70 Cb -0.13 -1.75 0.40 0.00 -0.45 0.00 0.00 34.95 33.02 2g0k s ARG 70 CO 0.03 0.25 1.53 0.07 -0.68 0.00 0.00 175.30 176.49 2g0k h ARG 71 N 2.15 0.00 -1.84 3.54 0.11 -1.93 -3.42 114.38 113.00 2g0k h ARG 71 Ca -0.41 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.70 2g0k h ARG 71 Cb 1.26 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.13 2g0k h ARG 71 CO 0.65 0.00 0.40 -1.54 0.10 0.00 0.00 179.97 179.57 2g0k s SER 72 N -5.44 -0.48 -0.23 0.08 1.04 -1.26 0.56 113.70 107.97 2g0k s SER 72 Ca 0.07 0.47 -0.33 0.00 0.48 0.00 0.00 55.95 56.64 2g0k s SER 72 Cb 0.08 0.41 0.16 0.00 0.10 0.00 0.00 66.02 66.77 2g0k s SER 72 CO 0.68 -0.49 1.25 0.72 0.98 0.00 0.00 173.24 176.38 2g0k s PHE 73 N -1.41 -0.12 -0.02 5.02 -0.12 -0.95 -4.95 117.98 115.43 2g0k s PHE 73 Ca -0.04 0.15 -0.36 0.00 -0.05 0.00 0.00 56.93 56.63 2g0k s PHE 73 Cb -0.00 0.50 -0.14 0.00 -0.63 0.00 0.00 43.02 42.74 2g0k s PHE 73 CO 0.03 -0.15 1.67 -0.85 -0.05 0.00 0.00 175.22 175.87 2g0k n GLU 74 N 0.26 1.77 -2.67 1.99 0.28 -1.26 -0.49 120.64 120.51 2g0k n GLU 74 Ca -0.01 0.65 -0.42 0.00 -0.16 0.00 0.00 57.16 57.22 2g0k n GLU 74 Cb 0.58 -2.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.02 2g0k n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2g0k s GLY 75 N 2.39 1.39 -0.68 -1.84 0.00 0.18 -4.06 107.32 104.69 2g0k s GLY 75 Ca 0.88 -2.24 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 2g0k s GLY 75 CO 0.50 2.46 1.10 -1.36 0.00 0.00 0.00 173.10 175.80 2g0k s PHE 76 N 4.43 2.52 0.39 1.90 0.08 0.47 -0.73 117.98 127.03 2g0k s PHE 76 Ca 0.39 -0.29 -0.27 0.00 0.12 0.00 0.00 56.93 56.88 2g0k s PHE 76 Cb -0.04 -4.42 -0.11 0.00 -0.57 0.00 0.00 43.02 37.89 2g0k s PHE 76 CO -0.05 -1.80 1.39 -0.11 -0.10 0.00 0.00 175.22 174.54 2g0k n LEU 77 N 8.38 4.38 -0.32 -0.37 7.94 0.11 0.44 117.00 137.57 2g0k n LEU 77 Ca -0.00 1.18 0.16 0.00 -1.11 0.00 0.00 56.01 56.23 2g0k n LEU 77 Cb 0.47 -1.56 0.34 0.00 0.53 0.00 0.00 43.42 43.21 2g0k n LEU 77 CO 0.67 -0.21 1.06 -0.26 -1.11 0.00 0.00 177.39 177.54 2g0k h PHE 78 N 2.57 0.72 0.00 1.96 -1.00 -1.88 1.82 116.94 121.12 2g0k h PHE 78 Ca -0.49 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.33 2g0k h PHE 78 Cb 1.27 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.66 2g0k h PHE 78 CO 0.51 -0.07 0.11 0.22 -1.61 0.00 0.00 178.31 177.47 2g0k h ASP 79 N 0.40 0.00 0.00 2.17 3.58 -1.91 -3.44 116.42 117.22 2g0k h ASP 79 Ca 0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.05 2g0k h ASP 79 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2g0k h ASP 79 CO -0.55 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.42 2g0k n GLY 80 N -1.23 1.44 3.48 -0.78 0.00 0.62 -5.08 105.19 103.64 2g0k n GLY 80 Ca -0.02 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 3.94 -0.88 2.61 2.01 -1.14 -4.88 115.64 115.30 2g0k s THR 81 Ca 0.00 -0.33 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 2g0k s THR 81 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2g0k s THR 81 CO 0.00 0.47 1.84 0.00 -0.69 0.00 0.00 174.62 176.24 2g0k s ARG 82 N 0.58 2.75 0.05 4.92 1.70 -1.26 -0.71 118.95 126.97 2g0k s ARG 82 Ca -0.02 -0.30 -0.33 0.00 -0.47 0.00 0.00 55.73 54.61 2g0k s ARG 82 Cb -0.14 -5.00 -0.18 0.00 -0.57 0.00 0.00 34.95 29.06 2g0k s ARG 82 CO 0.02 -3.08 1.43 2.35 -1.08 0.00 0.00 175.30 174.95 2g0k h TRP 83 N 11.49 -0.99 0.00 5.89 -0.00 -1.31 -3.49 115.95 127.54 2g0k h TRP 83 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2g0k h TRP 83 Cb 1.03 0.33 0.00 0.00 -0.00 0.00 0.00 29.16 30.52 2g0k h TRP 83 CO 1.20 -0.61 0.00 0.41 -0.00 0.00 0.00 178.44 179.45 2g0k n GLY 84 N -1.25 2.68 3.63 2.65 0.00 -1.22 -4.95 105.19 106.73 2g0k n GLY 84 Ca -0.14 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.30 0.55 -3.26 2.61 -1.04 -1.26 0.49 114.28 111.07 2g0k n THR 85 Ca 0.00 -0.29 -0.34 0.00 -2.04 0.00 0.00 64.05 61.38 2g0k n THR 85 Cb 0.00 -2.39 -0.06 0.00 -1.82 0.00 0.00 70.33 66.06 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 6.31 4.76 -0.74 12.58 1.01 0.35 -4.85 120.40 139.82 2g0k s VAL 86 Ca 0.95 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 2g0k s VAL 86 Cb -0.42 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.43 2g0k s VAL 86 CO 0.40 0.10 0.65 -1.81 0.00 0.00 0.00 175.10 174.45 2g0k s ASP 87 N -1.91 6.35 0.63 3.32 1.01 -1.26 -2.24 116.67 122.58 2g0k s ASP 87 Ca 0.44 -2.59 0.28 0.00 0.71 0.00 0.00 52.55 51.39 2g0k s ASP 87 Cb -0.14 -2.13 1.51 0.00 1.01 0.00 0.00 42.92 43.17 2g0k s ASP 87 CO 0.20 -0.57 1.88 0.00 0.21 0.00 0.00 175.17 176.89 2g0k n THR 89 N -3.24 0.09 -0.02 0.00 -2.24 -1.16 -3.65 114.28 104.06 2g0k n THR 89 Ca 0.03 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2g0k n THR 89 Cb 0.52 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.07 0.23 -4.35 4.28 -1.04 0.64 -5.05 114.28 108.92 2g0k n THR 90 Ca 0.17 -0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 2g0k n THR 90 Cb 0.26 -0.61 -0.10 0.00 -1.82 0.00 0.00 70.33 68.06 2g0k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0k s ALA 91 N -2.15 1.89 -0.16 2.41 0.00 -0.52 -5.06 121.76 118.16 2g0k s ALA 91 Ca -0.02 -1.90 -0.20 0.00 0.00 0.00 0.00 51.96 49.84 2g0k s ALA 91 Cb 0.02 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2g0k s ALA 91 CO 0.18 -0.40 0.58 0.00 0.00 0.00 0.00 175.76 176.12 2g0k s ALA 92 N -3.60 3.50 0.24 0.00 0.00 -1.26 -4.57 121.76 116.07 2g0k s ALA 92 Ca 0.36 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2g0k s ALA 92 Cb 0.08 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2g0k s ALA 92 CO 0.13 -0.34 0.24 0.00 0.00 0.00 0.00 175.76 175.79 2g0k s GLN 94 N -3.85 0.32 0.25 0.00 -2.07 -1.10 -1.44 119.66 111.76 2g0k s GLN 94 Ca 0.33 0.07 0.02 0.00 -1.82 0.00 0.00 55.36 53.96 2g0k s GLN 94 Cb -0.08 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2g0k s GLN 94 CO 0.26 -0.06 0.42 0.08 -1.32 0.00 0.00 175.29 174.67 2g0k s VAL 95 N -0.36 5.20 -0.07 3.63 1.01 -1.07 -1.60 120.40 127.14 2g0k s VAL 95 Ca -0.05 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.01 2g0k s VAL 95 Cb -0.03 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.68 2g0k s VAL 95 CO 0.01 -0.32 1.39 -0.83 0.00 0.00 0.00 175.10 175.35 2g0k s GLY 96 N -3.66 -0.45 0.08 4.51 0.00 -0.03 -3.33 107.32 104.45 2g0k s GLY 96 Ca 0.37 0.80 0.05 0.00 0.00 0.00 0.00 44.72 45.94 2g0k s GLY 96 CO 0.31 0.84 -0.13 0.48 0.00 0.00 0.00 173.10 174.60 2g0k s LEU 97 N -3.09 2.31 0.10 0.66 2.34 0.44 0.86 118.68 122.30 2g0k s LEU 97 Ca 0.17 -0.66 0.07 0.00 0.06 0.00 0.00 54.13 53.76 2g0k s LEU 97 Cb 0.06 -0.46 -0.03 0.00 -0.56 0.00 0.00 46.19 45.20 2g0k s LEU 97 CO -0.06 -0.12 -0.17 -0.94 -1.06 0.00 0.00 176.35 174.00 2g0k s SER 98 N -1.91 2.13 0.00 1.48 1.04 21.77 -3.58 113.70 134.63 2g0k s SER 98 Ca -0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2g0k s SER 98 Cb -0.08 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2g0k s SER 98 CO 0.02 -0.04 0.00 -0.90 0.98 0.00 0.00 173.24 173.30 2g0k n ASP 99 N 0.97 1.28 -0.03 7.02 5.75 -0.97 0.73 116.55 131.30 2g0k n ASP 99 Ca -0.19 -0.35 -0.12 0.00 -0.01 0.00 0.00 54.79 54.13 2g0k n ASP 99 Cb 0.55 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 0.46 0.11 0.00 2.12 0.00 -1.92 -2.70 119.26 117.34 2g0k h ALA 100 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2g0k h ALA 100 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g0k h ALA 100 CO 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 179.25 178.90 2g0k h ALA 101 N 0.72 1.17 -0.73 0.00 0.00 -1.96 -3.46 119.26 115.00 2g0k h ALA 101 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2g0k h ALA 101 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2g0k h ALA 101 CO 0.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2g0k n GLY 102 N -0.39 0.63 3.35 0.00 0.00 -1.02 -5.12 105.19 102.63 2g0k n GLY 102 Ca -0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 2g0k n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g0k s ASN 103 N -1.85 1.64 0.15 1.61 6.03 -1.26 -4.82 114.94 116.43 2g0k s ASN 103 Ca 0.00 -1.32 -0.23 0.00 -1.03 0.00 0.00 52.86 50.28 2g0k s ASN 103 Cb 0.00 0.06 0.08 0.00 -3.03 0.00 0.00 41.25 38.36 2g0k s ASN 103 CO 0.00 -0.63 1.09 -0.83 -2.03 0.00 0.00 177.10 174.69 2g0k s GLY 104 N -3.34 0.07 0.78 0.45 0.00 -1.26 -2.29 107.32 101.73 2g0k s GLY 104 Ca 0.34 -0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.69 2g0k s GLY 104 CO 0.12 3.01 1.08 2.56 0.00 0.00 0.00 173.10 179.87 2g0k s PRO 105 N -2.14 2.22 -0.30 2.90 0.04 -1.26 -4.31 135.00 132.14 2g0k s PRO 105 Ca 0.23 0.93 -0.44 0.00 0.04 0.00 0.00 61.00 61.76 2g0k s PRO 105 Cb -0.02 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.41 2g0k s PRO 105 CO 0.04 -1.60 1.42 0.39 0.04 0.00 0.00 177.00 177.29 2g0k n GLU 106 N -3.46 0.09 -1.00 4.56 -0.58 -0.78 -4.59 120.64 114.87 2g0k n GLU 106 Ca 0.08 0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.53 2g0k n GLU 106 Cb 0.54 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 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 3.11 -2.88 3.05 0.62 0.00 -1.26 -4.88 105.19 102.95 2g0k n GLY 107 Ca 0.27 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.65 2.35 0.20 1.61 1.01 -1.21 -5.08 120.40 117.63 2g0k s VAL 108 Ca 0.45 -2.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.12 2g0k s VAL 108 Cb -0.37 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 2g0k s VAL 108 CO 0.57 -0.37 0.92 0.00 0.00 0.00 0.00 175.10 176.22 2g0k s ALA 109 N 1.01 3.33 0.08 5.51 0.00 -1.26 -2.61 121.76 127.83 2g0k s ALA 109 Ca 0.03 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2g0k s ALA 109 Cb -0.20 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2g0k s ALA 109 CO -0.06 0.17 0.06 0.44 0.00 0.00 0.00 175.76 176.36 2g0k n ILE 110 N 1.81 0.00 -3.61 0.00 -5.35 -0.52 -4.94 119.36 106.75 2g0k n ILE 110 Ca -0.02 -0.59 -0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2g0k n ILE 110 Cb 0.48 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 2g0k n ILE 110 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2g0k s SER 111 N -1.57 -0.02 -0.22 7.28 0.15 -1.25 -4.06 113.70 114.01 2g0k s SER 111 Ca 0.09 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2g0k s SER 111 Cb 0.00 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 2g0k s SER 111 CO 0.06 -0.04 -0.13 -0.36 1.20 0.00 0.00 173.24 173.97 2g0k s PHE 112 N -2.07 2.97 0.00 3.44 0.40 -1.26 -1.88 117.98 119.57 2g0k s PHE 112 Ca 0.13 -1.67 0.00 0.00 -0.60 0.00 0.00 56.93 54.79 2g0k s PHE 112 Cb 0.02 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2g0k s PHE 112 CO -0.04 -0.77 0.00 0.09 0.70 0.00 0.00 175.22 175.20