#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 0.13 1.09 0.00 0.00 -1.26 -4.34 121.76 117.37 2g0k s ALA 2 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 2g0k s ALA 2 Cb 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 23.12 22.60 2g0k s ALA 2 CO 0.00 -0.49 0.54 -0.35 0.00 0.00 0.00 175.76 175.46 2g0k n PRO 3 N 5.26 -1.66 -3.38 0.00 -0.04 -1.26 -3.56 135.00 130.35 2g0k n PRO 3 Ca -0.04 -0.86 -0.43 0.00 -0.04 0.00 0.00 63.50 62.13 2g0k n PRO 3 Cb 0.50 -0.74 -0.09 0.00 -0.04 0.00 0.00 33.50 33.13 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 -2.04 5.16 0.06 0.52 -1.32 0.17 -2.96 115.64 115.22 2g0k s THR 4 Ca 0.34 -0.41 0.06 0.00 -1.21 0.00 0.00 61.69 60.47 2g0k s THR 4 Cb -0.03 -3.97 -0.03 0.00 -1.51 0.00 0.00 72.50 66.97 2g0k s THR 4 CO 0.25 -0.34 -0.17 0.00 -2.21 0.00 0.00 174.62 172.15 2g0k s ALA 5 N 1.96 1.44 -0.31 11.08 0.00 -1.21 0.68 121.76 135.39 2g0k s ALA 5 Ca 0.09 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 2g0k s ALA 5 Cb -0.18 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2g0k s ALA 5 CO 0.12 0.28 0.09 0.95 0.00 0.00 0.00 175.76 177.20 2g0k s THR 6 N -0.96 3.82 0.01 0.00 -4.23 0.56 -4.79 115.64 110.06 2g0k s THR 6 Ca 0.03 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 2g0k s THR 6 Cb -0.09 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2g0k s THR 6 CO 0.02 -0.04 -0.02 0.68 -0.54 0.00 0.00 174.62 174.71 2g0k s VAL 7 N 1.44 3.96 1.01 2.29 -7.23 -1.24 -1.14 120.40 119.49 2g0k s VAL 7 Ca 0.00 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 2g0k s VAL 7 Cb -0.18 -2.77 0.20 0.00 0.56 0.00 0.00 36.38 34.18 2g0k s VAL 7 CO 0.02 0.34 1.08 0.28 -0.31 0.00 0.00 175.10 176.52 2g0k s THR 8 N -1.09 2.15 -0.20 5.32 -1.32 -0.12 -4.84 115.64 115.54 2g0k s THR 8 Ca 0.20 0.05 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 2g0k s THR 8 Cb -0.11 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 2g0k s THR 8 CO 0.11 -0.06 1.44 -2.16 -2.21 0.00 0.00 174.62 171.73 2g0k s PRO 9 N -4.88 4.01 -0.06 7.08 0.04 -1.26 -4.54 135.00 135.39 2g0k s PRO 9 Ca 0.66 1.64 0.09 0.00 0.04 0.00 0.00 61.00 63.42 2g0k s PRO 9 Cb -0.20 -3.91 0.13 0.00 0.04 0.00 0.00 34.50 30.57 2g0k s PRO 9 CO 0.59 -1.02 1.02 0.45 0.04 0.00 0.00 177.00 178.08 2g0k n SER 10 N 7.53 1.46 -4.53 6.66 2.88 -1.26 -4.93 113.62 121.42 2g0k n SER 10 Ca 0.16 -2.41 -0.42 0.00 -1.33 0.00 0.00 58.87 54.87 2g0k n SER 10 Cb 0.45 -0.25 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.78 6.27 0.00 -3.46 1.04 -1.24 -3.95 113.70 110.59 2g0k s SER 11 Ca 0.15 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2g0k s SER 11 Cb 0.13 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2g0k s SER 11 CO 0.01 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2g0k n GLY 12 N 4.95 0.97 3.61 7.32 0.00 -1.12 -4.73 105.19 116.19 2g0k n GLY 12 Ca -0.05 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 3.41 0.48 0.99 1.43 -1.25 -4.50 118.68 119.23 2g0k s LEU 13 Ca 0.00 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 2g0k s LEU 13 Cb 0.00 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 2g0k s LEU 13 CO 0.00 0.32 1.02 -0.55 0.23 0.00 0.00 176.35 177.37 2g0k s SER 14 N -0.53 6.47 0.67 2.29 0.15 -1.26 -4.79 113.70 116.69 2g0k s SER 14 Ca 0.09 1.86 -0.17 0.00 0.70 0.00 0.00 55.95 58.43 2g0k s SER 14 Cb -0.12 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 2g0k s SER 14 CO 0.02 -0.69 0.02 -0.90 1.20 0.00 0.00 173.24 172.89 2g0k n ASP 15 N -0.93 -3.06 0.00 5.45 5.68 -1.26 -2.50 116.55 119.92 2g0k n ASP 15 Ca 0.09 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2g0k n ASP 15 Cb 0.53 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 2g0k n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g0k n GLY 16 N 2.34 3.23 3.75 6.12 0.00 -1.16 -5.04 105.19 114.42 2g0k n GLY 16 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.81 2.44 -0.20 2.61 2.01 -1.04 -4.86 115.64 113.78 2g0k s THR 17 Ca 0.00 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 2g0k s THR 17 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2g0k s THR 17 CO 0.00 -0.06 -0.06 0.54 -0.69 0.00 0.00 174.62 174.34 2g0k s VAL 18 N -1.56 3.29 0.17 3.82 0.11 -1.26 -1.68 120.40 123.29 2g0k s VAL 18 Ca 0.79 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2g0k s VAL 18 Cb -0.32 -2.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 2g0k s VAL 18 CO 0.36 0.45 0.36 0.54 -3.33 0.00 0.00 175.10 173.47 2g0k s VAL 19 N 1.27 5.24 0.09 2.04 0.11 0.47 -4.95 120.40 124.66 2g0k s VAL 19 Ca 0.03 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 2g0k s VAL 19 Cb -0.14 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 2g0k s VAL 19 CO -0.02 -0.10 0.04 -0.75 -3.33 0.00 0.00 175.10 170.94 2g0k s LYS 20 N -3.14 2.70 -0.24 1.54 2.36 -1.26 -0.71 119.74 120.99 2g0k s LYS 20 Ca 0.38 -0.79 -0.02 0.00 -2.55 0.00 0.00 55.97 52.99 2g0k s LYS 20 Cb -0.11 -2.62 0.12 0.00 -1.05 0.00 0.00 37.83 34.17 2g0k s LYS 20 CO 0.28 0.54 0.31 0.54 1.55 0.00 0.00 175.35 178.58 2g0k s VAL 21 N -1.38 -0.48 -0.23 4.02 0.11 0.08 -0.94 120.40 121.58 2g0k s VAL 21 Ca 0.28 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2g0k s VAL 21 Cb -0.12 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2g0k s VAL 21 CO 0.20 -0.22 -0.14 0.00 -3.33 0.00 0.00 175.10 171.62 2g0k s ALA 22 N 2.44 2.50 0.15 1.54 0.00 -0.29 -1.39 121.76 126.70 2g0k s ALA 22 Ca 0.10 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.33 2g0k s ALA 22 Cb -0.15 -1.45 -0.08 0.00 0.00 0.00 0.00 23.12 21.44 2g0k s ALA 22 CO -0.18 -0.79 0.73 0.20 0.00 0.00 0.00 175.76 175.72 2g0k s GLY 23 N 1.22 2.87 -0.19 0.00 0.00 -0.68 0.21 107.32 110.75 2g0k s GLY 23 Ca -0.02 0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.96 2g0k s GLY 23 CO -0.08 0.78 0.05 0.00 0.00 0.00 0.00 173.10 173.85 2g0k s ALA 24 N -1.13 0.86 0.00 3.20 0.00 3.18 -2.33 121.76 125.53 2g0k s ALA 24 Ca 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2g0k s ALA 24 Cb -0.22 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2g0k s ALA 24 CO 0.25 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2g0k n GLY 25 N 5.11 1.26 0.00 0.00 0.00 -1.23 -0.65 105.19 109.68 2g0k n GLY 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2g0k n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0k n LEU 26 N 0.00 0.00 -4.67 0.99 4.77 -0.43 -4.78 117.00 112.88 2g0k n LEU 26 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2g0k n LEU 26 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2g0k n LEU 26 CO 0.00 -0.42 0.89 -1.10 -1.33 0.00 0.00 177.39 175.43 2g0k s GLN 27 N -1.96 4.31 0.21 3.23 1.11 -1.26 -4.52 119.66 120.77 2g0k s GLN 27 Ca 0.00 1.40 -0.30 0.00 0.01 0.00 0.00 55.36 56.47 2g0k s GLN 27 Cb 0.00 -3.62 -0.09 0.00 -1.01 0.00 0.00 33.01 28.30 2g0k s GLN 27 CO 0.00 -0.54 1.22 0.00 0.01 0.00 0.00 175.29 175.98 2g0k s ALA 28 N 2.86 3.46 0.00 6.09 0.00 -1.26 -2.24 121.76 130.67 2g0k s ALA 28 Ca 0.46 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2g0k s ALA 28 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2g0k s ALA 28 CO 0.10 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2g0k n GLY 29 N 1.99 0.34 3.85 0.00 0.00 0.17 -4.93 105.19 106.61 2g0k n GLY 29 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.86 5.29 0.33 2.61 2.01 -0.95 -4.84 115.64 118.23 2g0k s THR 30 Ca 0.00 0.50 -0.14 0.00 0.31 0.00 0.00 61.69 62.36 2g0k s THR 30 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 2g0k s THR 30 CO 0.00 0.58 0.72 0.00 -0.69 0.00 0.00 174.62 175.23 2g0k s ALA 31 N -0.88 3.35 0.07 7.40 0.00 -1.26 -1.48 121.76 128.95 2g0k s ALA 31 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2g0k s ALA 31 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2g0k s ALA 31 CO 0.08 0.30 -0.07 0.71 0.00 0.00 0.00 175.76 176.78 2g0k s TYR 32 N -2.03 0.75 -0.22 0.00 2.02 0.34 -4.62 117.35 113.59 2g0k s TYR 32 Ca 0.53 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 2g0k s TYR 32 Cb -0.10 -0.45 0.04 0.00 -0.40 0.00 0.00 41.96 41.05 2g0k s TYR 32 CO 0.20 -0.15 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.39 2g0k s ASP 33 N -2.41 3.70 0.06 2.29 1.11 -0.95 -2.40 116.67 118.07 2g0k s ASP 33 Ca 0.02 -1.01 -0.09 0.00 0.18 0.00 0.00 52.55 51.64 2g0k s ASP 33 Cb -0.01 -1.40 -0.05 0.00 1.07 0.00 0.00 42.92 42.53 2g0k s ASP 33 CO -0.03 -0.13 0.36 -0.69 1.18 0.00 0.00 175.17 175.86 2g0k s VAL 34 N 1.27 5.15 0.24 -1.27 1.01 -0.71 1.02 120.40 127.11 2g0k s VAL 34 Ca -0.03 0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 2g0k s VAL 34 Cb -0.17 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2g0k s VAL 34 CO -0.08 0.32 0.66 -0.83 0.00 0.00 0.00 175.10 175.17 2g0k s GLY 35 N -1.71 -0.19 -0.28 4.51 0.00 1.45 0.76 107.32 111.87 2g0k s GLY 35 Ca 0.31 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.92 2g0k s GLY 35 CO 0.17 -0.08 -0.05 1.62 0.00 0.00 0.00 173.10 174.77 2g0k s GLN 36 N -3.88 1.85 0.46 2.90 0.74 -1.26 0.43 119.66 120.91 2g0k s GLN 36 Ca 0.09 -1.40 0.08 0.00 0.05 0.00 0.00 55.36 54.17 2g0k s GLN 36 Cb -0.04 -2.88 0.01 0.00 1.10 0.00 0.00 33.01 31.21 2g0k s GLN 36 CO 0.01 -0.69 0.48 0.00 -0.55 0.00 0.00 175.29 174.54 2g0k s ALA 38 N -2.53 -0.53 -0.08 0.00 0.00 0.79 -1.72 121.76 117.68 2g0k s ALA 38 Ca 0.49 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 2g0k s ALA 38 Cb -0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 2g0k s ALA 38 CO 0.29 -0.31 1.80 -0.46 0.00 0.00 0.00 175.76 177.08 2g0k s TRP 39 N 1.56 1.70 -0.24 0.00 -0.00 -1.25 -0.61 118.94 120.10 2g0k s TRP 39 Ca -0.06 0.11 -0.04 0.00 -0.00 0.00 0.00 56.10 56.10 2g0k s TRP 39 Cb -0.11 -4.03 -0.17 0.00 -0.00 0.00 0.00 33.47 29.16 2g0k s TRP 39 CO -0.08 -4.20 -0.16 1.33 -0.00 0.00 0.00 176.95 173.84 2g0k n VAL 40 N 5.95 1.54 -4.37 5.86 0.24 0.11 -4.83 118.33 122.82 2g0k n VAL 40 Ca 0.20 -0.51 -0.21 0.00 -2.04 0.00 0.00 64.34 61.78 2g0k n VAL 40 Cb 0.43 -1.60 -0.08 0.00 -1.47 0.00 0.00 33.84 31.11 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 -6.84 1.95 -0.18 -1.34 1.01 0.19 -5.00 116.67 106.46 2g0k s ASP 41 Ca -0.34 -1.67 -0.28 0.00 0.71 0.00 0.00 52.55 50.97 2g0k s ASP 41 Cb 0.10 0.49 -0.06 0.00 1.01 0.00 0.00 42.92 44.47 2g0k s ASP 41 CO 0.60 -0.97 2.17 0.28 0.21 0.00 0.00 175.17 177.45 2g0k s THR 42 N -3.44 3.02 0.00 -1.27 -1.32 -1.26 -0.41 115.64 110.96 2g0k s THR 42 Ca 0.34 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2g0k s THR 42 Cb 0.03 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.99 2g0k s THR 42 CO 0.20 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 2g0k n GLY 43 N 5.55 0.33 3.07 6.08 0.00 -1.26 -4.97 105.19 113.99 2g0k n GLY 43 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.75 2.05 -0.01 1.61 1.01 0.45 -5.09 120.40 118.67 2g0k s VAL 44 Ca 0.00 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.67 2g0k s VAL 44 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2g0k s VAL 44 CO 0.00 0.15 -0.15 -1.48 0.00 0.00 0.00 175.10 173.62 2g0k s LEU 45 N 1.20 2.04 -0.10 3.92 2.34 -1.26 0.55 118.68 127.38 2g0k s LEU 45 Ca -0.04 -0.29 -0.10 0.00 0.06 0.00 0.00 54.13 53.76 2g0k s LEU 45 Cb -0.18 -0.76 -0.05 0.00 -0.56 0.00 0.00 46.19 44.65 2g0k s LEU 45 CO -0.08 0.17 0.22 0.00 -1.06 0.00 0.00 176.35 175.61 2g0k s ALA 46 N -0.40 3.80 -0.08 1.48 0.00 0.22 -4.06 121.76 122.72 2g0k s ALA 46 Ca 0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 2g0k s ALA 46 Cb -0.06 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2g0k s ALA 46 CO -0.00 0.52 0.02 0.00 0.00 0.00 0.00 175.76 176.29 2g0k s ASN 48 N -0.99 6.07 0.00 0.00 2.47 -1.11 0.94 114.94 122.32 2g0k s ASN 48 Ca 0.14 -0.78 0.19 0.00 0.42 0.00 0.00 52.86 52.84 2g0k s ASN 48 Cb -0.11 -2.14 1.15 0.00 -1.45 0.00 0.00 41.25 38.69 2g0k s ASN 48 CO 0.04 -0.39 1.55 -0.81 -3.72 0.00 0.00 177.10 173.76 2g0k n PRO 49 N 5.13 0.62 0.07 0.43 -0.04 -1.26 -2.16 135.00 137.79 2g0k n PRO 49 Ca -0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2g0k n PRO 49 Cb 0.48 -1.49 0.22 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.99 2.78 -1.73 0.55 0.00 -1.26 -3.74 120.51 116.13 2g0k n ALA 50 Ca 0.14 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.44 2g0k n ALA 50 Cb 0.07 -1.24 0.18 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.15 1.61 -4.56 0.00 5.68 -0.92 -5.00 116.55 111.20 2g0k n ASP 51 Ca 0.04 -3.58 -0.42 0.00 -0.50 0.00 0.00 54.79 50.32 2g0k n ASP 51 Cb 0.44 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 39.90 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 -2.71 2.68 0.58 2.11 0.08 -1.24 -4.04 117.98 115.44 2g0k s PHE 52 Ca 0.37 0.24 0.10 0.00 0.12 0.00 0.00 56.93 57.75 2g0k s PHE 52 Cb 0.37 -4.33 0.09 0.00 -0.57 0.00 0.00 43.02 38.58 2g0k s PHE 52 CO -0.08 -1.49 0.79 -1.12 -0.10 0.00 0.00 175.22 173.22 2g0k s SER 53 N 2.90 5.06 0.07 1.36 0.01 0.23 -4.95 113.70 118.38 2g0k s SER 53 Ca 0.38 -0.88 -0.08 0.00 1.31 0.00 0.00 55.95 56.68 2g0k s SER 53 Cb -0.10 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 2g0k s SER 53 CO 0.23 -1.37 0.15 -0.94 0.41 0.00 0.00 173.24 171.73 2g0k s SER 54 N -4.67 0.16 -0.09 2.44 1.04 -1.26 -1.74 113.70 109.57 2g0k s SER 54 Ca 0.61 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.11 2g0k s SER 54 Cb -0.05 0.30 0.12 0.00 0.10 0.00 0.00 66.02 66.48 2g0k s SER 54 CO 0.39 -0.66 0.98 0.54 0.98 0.00 0.00 173.24 175.47 2g0k s VAL 55 N -3.50 0.00 -0.03 5.02 0.11 -1.01 -4.88 120.40 116.11 2g0k s VAL 55 Ca 0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2g0k s VAL 55 Cb 0.04 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2g0k s VAL 55 CO -0.09 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.64 2g0k s THR 56 N -2.26 1.23 0.22 5.04 2.01 -1.26 -0.50 115.64 120.12 2g0k s THR 56 Ca 0.03 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2g0k s THR 56 Cb -0.01 -1.04 -0.09 0.00 0.01 0.00 0.00 72.50 71.37 2g0k s THR 56 CO -0.04 0.35 0.91 0.00 -0.69 0.00 0.00 174.62 175.15 2g0k s ALA 57 N -0.13 3.35 0.86 7.40 0.00 -0.55 -4.54 121.76 128.15 2g0k s ALA 57 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2g0k s ALA 57 Cb -0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2g0k s ALA 57 CO 0.01 0.21 0.00 -0.40 0.00 0.00 0.00 175.76 175.58 2g0k n ASP 58 N 1.57 0.00 0.26 0.00 5.68 -0.88 0.44 116.55 123.62 2g0k n ASP 58 Ca -0.02 -0.59 0.09 0.00 -0.50 0.00 0.00 54.79 53.77 2g0k n ASP 58 Cb 0.47 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.14 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 -1.73 1.80 -0.08 2.12 0.00 -1.92 0.24 119.26 119.69 2g0k h ALA 59 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2g0k h ALA 59 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2g0k h ALA 59 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 2g0k n ASN 60 N -4.30 0.56 -1.69 0.00 3.02 -1.26 -4.79 115.26 106.81 2g0k n ASN 60 Ca -0.03 -1.69 -0.20 0.00 -0.03 0.00 0.00 54.58 52.63 2g0k n ASN 60 Cb 0.12 -0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 2g0k n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g0k n GLY 61 N 0.82 1.44 3.51 7.41 0.00 0.83 -4.49 105.19 114.70 2g0k n GLY 61 Ca 0.11 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.65 4.78 0.36 1.61 0.15 -1.26 -1.32 113.70 115.38 2g0k s SER 62 Ca 0.00 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.61 2g0k s SER 62 Cb 0.00 -1.73 -0.07 0.00 -1.71 0.00 0.00 66.02 62.51 2g0k s SER 62 CO 0.00 0.19 -0.04 0.00 1.20 0.00 0.00 173.24 174.59 2g0k s ALA 63 N 0.24 2.91 -0.13 5.45 0.00 -0.98 -2.07 121.76 127.17 2g0k s ALA 63 Ca -0.03 -2.15 -0.08 0.00 0.00 0.00 0.00 51.96 49.70 2g0k s ALA 63 Cb -0.14 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.16 2g0k s ALA 63 CO 0.03 -0.05 0.32 -1.12 0.00 0.00 0.00 175.76 174.94 2g0k s SER 64 N -3.62 -0.37 0.11 0.00 0.01 -1.26 -1.69 113.70 106.88 2g0k s SER 64 Ca 0.33 0.69 -0.23 0.00 1.31 0.00 0.00 55.95 58.05 2g0k s SER 64 Cb 0.06 0.59 0.06 0.00 0.21 0.00 0.00 66.02 66.94 2g0k s SER 64 CO 0.16 -0.17 0.58 -0.89 0.41 0.00 0.00 173.24 173.34 2g0k s THR 65 N 1.14 0.01 -0.15 1.44 2.01 -0.49 -4.86 115.64 114.75 2g0k s THR 65 Ca -0.08 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2g0k s THR 65 Cb -0.08 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 2g0k s THR 65 CO -0.09 -0.05 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.19 2g0k s SER 66 N -2.40 3.64 0.21 3.53 0.01 -1.26 -0.74 113.70 116.69 2g0k s SER 66 Ca -0.02 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2g0k s SER 66 Cb -0.00 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 2g0k s SER 66 CO -0.08 0.09 0.39 -0.22 0.41 0.00 0.00 173.24 173.83 2g0k s LEU 67 N 0.79 4.24 -0.24 2.44 0.20 0.11 -4.90 118.68 121.31 2g0k s LEU 67 Ca -0.06 0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.95 2g0k s LEU 67 Cb -0.15 -3.10 -0.04 0.00 -0.43 0.00 0.00 46.19 42.46 2g0k s LEU 67 CO 0.00 -0.06 0.28 0.28 -0.29 0.00 0.00 176.35 176.57 2g0k s THR 68 N -1.91 5.26 0.01 3.68 -1.32 -1.26 -0.40 115.64 119.70 2g0k s THR 68 Ca 0.37 0.42 -0.30 0.00 -1.21 0.00 0.00 61.69 60.97 2g0k s THR 68 Cb -0.11 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 2g0k s THR 68 CO 0.30 0.26 1.08 -0.69 -2.21 0.00 0.00 174.62 173.35 2g0k s VAL 69 N 1.48 4.51 0.08 5.08 1.01 -0.67 -4.91 120.40 126.97 2g0k s VAL 69 Ca 0.12 1.80 0.08 0.00 0.00 0.00 0.00 61.98 63.99 2g0k s VAL 69 Cb -0.15 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2g0k s VAL 69 CO 0.08 0.12 -0.22 -0.13 0.00 0.00 0.00 175.10 174.94 2g0k s ARG 70 N 1.18 1.35 0.14 2.72 1.81 -1.26 -3.01 118.95 121.88 2g0k s ARG 70 Ca 0.55 -1.09 0.22 0.00 -1.72 0.00 0.00 55.73 53.68 2g0k s ARG 70 Cb -0.24 -1.58 -0.10 0.00 -0.45 0.00 0.00 34.95 32.59 2g0k s ARG 70 CO 0.27 0.39 0.88 0.54 -0.68 0.00 0.00 175.30 176.71 2g0k n ARG 71 N 1.45 0.62 -3.59 3.54 1.74 -1.26 -4.69 116.66 114.46 2g0k n ARG 71 Ca -0.18 0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 56.88 2g0k n ARG 71 Cb 0.53 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 2g0k n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2g0k s SER 72 N -5.15 -0.22 -0.05 0.55 1.04 -1.26 0.81 113.70 109.42 2g0k s SER 72 Ca -0.03 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.28 2g0k s SER 72 Cb 0.11 0.20 0.10 0.00 0.10 0.00 0.00 66.02 66.52 2g0k s SER 72 CO 0.82 -0.25 1.33 0.72 0.98 0.00 0.00 173.24 176.84 2g0k s PHE 73 N -1.56 0.01 -0.13 5.02 -0.12 -0.70 -4.97 117.98 115.54 2g0k s PHE 73 Ca 0.04 -0.08 -0.29 0.00 -0.05 0.00 0.00 56.93 56.55 2g0k s PHE 73 Cb -0.01 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 2g0k s PHE 73 CO -0.03 -0.16 1.62 -1.83 -0.05 0.00 0.00 175.22 174.77 2g0k s GLU 74 N -2.03 4.01 -1.04 1.99 1.03 -1.26 0.81 118.70 122.22 2g0k s GLU 74 Ca 0.30 1.94 -0.23 0.00 0.03 0.00 0.00 54.97 57.01 2g0k s GLU 74 Cb 0.00 -3.99 0.05 0.00 -0.80 0.00 0.00 34.13 29.38 2g0k s GLU 74 CO -0.02 -1.04 1.49 0.20 -1.33 0.00 0.00 175.26 174.57 2g0k s GLY 75 N 3.68 1.25 -0.63 -3.83 0.00 0.12 -4.03 107.32 103.89 2g0k s GLY 75 Ca 0.72 -2.29 -0.26 0.00 0.00 0.00 0.00 44.72 42.89 2g0k s GLY 75 CO 0.28 2.72 1.09 -0.12 0.00 0.00 0.00 173.10 177.08 2g0k s PHE 76 N 5.12 2.59 0.21 1.90 5.36 0.27 -0.31 117.98 133.11 2g0k s PHE 76 Ca 0.48 -0.02 -0.32 0.00 -0.96 0.00 0.00 56.93 56.11 2g0k s PHE 76 Cb 0.00 -4.37 -0.13 0.00 -0.34 0.00 0.00 43.02 38.19 2g0k s PHE 76 CO -0.08 -1.65 1.65 -0.11 -1.46 0.00 0.00 175.22 173.57 2g0k n LEU 77 N 8.24 3.76 -0.34 6.12 7.94 0.18 0.24 117.00 143.14 2g0k n LEU 77 Ca 0.03 1.08 0.27 0.00 -1.11 0.00 0.00 56.01 56.28 2g0k n LEU 77 Cb 0.48 -1.53 0.57 0.00 0.53 0.00 0.00 43.42 43.46 2g0k n LEU 77 CO 0.68 0.02 1.24 2.19 -1.11 0.00 0.00 177.39 180.40 2g0k h PHE 78 N 6.12 0.54 0.00 1.96 -5.15 -1.86 1.49 116.94 120.04 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 1.22 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2g0k h PHE 78 CO 0.62 0.01 0.12 0.22 -2.00 0.00 0.00 178.31 177.28 2g0k h ASP 79 N 0.29 0.00 0.00 -0.68 3.58 -1.91 -3.44 116.42 114.26 2g0k h ASP 79 Ca 0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.07 2g0k h ASP 79 Cb 1.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.82 2g0k h ASP 79 CO -0.27 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.70 2g0k n GLY 80 N -1.22 1.71 3.42 -0.78 0.00 0.51 -5.10 105.19 103.73 2g0k n GLY 80 Ca -0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 2.54 -0.80 2.61 2.01 -1.04 -4.94 115.64 114.03 2g0k s THR 81 Ca 0.00 -1.34 -0.25 0.00 0.31 0.00 0.00 61.69 60.41 2g0k s THR 81 Cb 0.00 -2.06 0.05 0.00 0.01 0.00 0.00 72.50 70.50 2g0k s THR 81 CO 0.00 0.30 1.24 0.00 -0.69 0.00 0.00 174.62 175.47 2g0k s ARG 82 N -1.51 3.29 0.03 4.92 3.03 -1.26 0.49 118.95 127.94 2g0k s ARG 82 Ca 0.14 -0.65 -0.29 0.00 2.03 0.00 0.00 55.73 56.96 2g0k s ARG 82 Cb -0.10 -4.49 -0.17 0.00 -1.03 0.00 0.00 34.95 29.16 2g0k s ARG 82 CO 0.05 -2.07 1.31 2.35 -1.13 0.00 0.00 175.30 175.81 2g0k h TRP 83 N 9.81 -0.76 0.00 5.89 7.01 -1.03 -3.48 115.95 133.38 2g0k h TRP 83 Ca -0.15 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.83 2g0k h TRP 83 Cb 1.04 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 2g0k h TRP 83 CO 1.13 -0.43 0.00 0.41 -2.79 0.00 0.00 178.44 176.77 2g0k n GLY 84 N -0.84 4.01 3.52 2.65 0.00 -1.18 -4.95 105.19 108.40 2g0k n GLY 84 Ca -0.12 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.70 0.10 -2.61 2.61 -1.04 -1.26 -0.70 114.28 109.68 2g0k n THR 85 Ca 0.00 -0.46 -0.32 0.00 -2.04 0.00 0.00 64.05 61.23 2g0k n THR 85 Cb 0.00 -2.10 -0.04 0.00 -1.82 0.00 0.00 70.33 66.37 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 9.51 4.62 -0.40 12.58 1.01 0.24 -4.83 120.40 143.13 2g0k s VAL 86 Ca 1.07 1.02 0.04 0.00 0.00 0.00 0.00 61.98 64.11 2g0k s VAL 86 Cb -0.56 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.22 2g0k s VAL 86 CO 0.38 -0.58 0.12 -1.81 0.00 0.00 0.00 175.10 173.20 2g0k s ASP 87 N -3.00 4.61 0.59 3.32 1.01 -1.26 -1.72 116.67 120.22 2g0k s ASP 87 Ca 0.56 -2.43 0.29 0.00 0.71 0.00 0.00 52.55 51.68 2g0k s ASP 87 Cb -0.10 -1.63 1.50 0.00 1.01 0.00 0.00 42.92 43.70 2g0k s ASP 87 CO 0.29 -0.33 1.91 0.00 0.21 0.00 0.00 175.17 177.26 2g0k n THR 89 N -3.68 0.00 -0.01 0.00 -2.24 -1.15 -3.18 114.28 104.01 2g0k n THR 89 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 2g0k n THR 89 Cb 0.62 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.93 0.15 -4.31 4.28 -1.04 0.51 -4.96 114.28 108.00 2g0k n THR 90 Ca 0.20 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.93 2g0k n THR 90 Cb 0.09 -0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 67.94 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 -1.99 0.47 -2.72 2.41 0.00 -0.64 -5.07 120.51 112.97 2g0k n ALA 91 Ca -0.04 -1.49 -0.36 0.00 0.00 0.00 0.00 53.44 51.55 2g0k n ALA 91 Cb 0.48 1.08 -0.09 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.89 3.58 0.32 0.00 0.00 -1.26 -4.51 121.76 117.00 2g0k s ALA 92 Ca 0.21 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.41 2g0k s ALA 92 Cb 0.01 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2g0k s ALA 92 CO 0.15 -0.07 0.32 0.00 0.00 0.00 0.00 175.76 176.16 2g0k s GLN 94 N -4.01 0.85 0.35 0.00 -2.07 -0.70 0.16 119.66 114.24 2g0k s GLN 94 Ca 0.40 0.06 0.07 0.00 -1.82 0.00 0.00 55.36 54.08 2g0k s GLN 94 Cb -0.07 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.22 2g0k s GLN 94 CO 0.27 -0.25 0.37 0.08 -1.32 0.00 0.00 175.29 174.44 2g0k s VAL 95 N -1.19 3.59 0.04 3.63 1.01 -0.58 -0.56 120.40 126.33 2g0k s VAL 95 Ca -0.12 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 2g0k s VAL 95 Cb -0.03 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.23 2g0k s VAL 95 CO 0.07 -0.14 1.19 -0.83 0.00 0.00 0.00 175.10 175.39 2g0k s GLY 96 N -4.08 -0.34 0.30 4.51 0.00 0.17 -2.67 107.32 105.20 2g0k s GLY 96 Ca 0.44 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.70 2g0k s GLY 96 CO 0.28 0.37 0.43 1.08 0.00 0.00 0.00 173.10 175.26 2g0k s LEU 97 N -3.02 4.12 -0.25 0.66 1.02 0.16 0.43 118.68 121.80 2g0k s LEU 97 Ca 0.14 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.21 2g0k s LEU 97 Cb 0.03 -2.82 0.14 0.00 0.02 0.00 0.00 46.19 43.56 2g0k s LEU 97 CO -0.02 -0.28 0.41 -0.44 0.02 0.00 0.00 176.35 176.04 2g0k s SER 98 N -4.09 0.01 0.00 2.29 0.01 7.03 -3.99 113.70 114.96 2g0k s SER 98 Ca 0.40 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2g0k s SER 98 Cb -0.09 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.40 2g0k s SER 98 CO 0.30 -0.29 0.00 -0.90 0.41 0.00 0.00 173.24 172.76 2g0k n ASP 99 N 5.37 0.38 -0.26 2.44 5.75 -1.25 -2.24 116.55 126.74 2g0k n ASP 99 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.79 2g0k n ASP 99 Cb 0.50 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.78 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 -0.53 1.08 0.00 2.12 0.00 -1.97 -0.34 119.26 119.63 2g0k h ALA 100 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2g0k h ALA 100 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2g0k h ALA 100 CO 0.00 -0.15 -1.05 0.00 0.00 0.00 0.00 179.25 178.05 2g0k h ALA 101 N 1.52 0.64 -1.03 0.00 0.00 -1.98 -3.48 119.26 114.92 2g0k h ALA 101 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2g0k h ALA 101 Cb 0.58 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2g0k h ALA 101 CO -0.37 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2g0k n GLY 102 N 1.33 0.60 1.70 0.00 0.00 -0.14 -5.12 105.19 103.56 2g0k n GLY 102 Ca -0.05 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.52 1.72 0.00 1.61 2.04 -1.26 -4.70 115.26 114.15 2g0k n ASN 103 Ca 0.00 -1.83 0.00 0.00 -0.44 0.00 0.00 54.58 52.31 2g0k n ASN 103 Cb 0.23 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 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 2.04 -0.88 3.79 4.83 0.00 -1.26 -2.21 105.19 111.50 2g0k n GLY 104 Ca -0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 2.54 -0.05 1.61 0.04 -1.26 -4.27 135.00 131.60 2g0k s PRO 105 Ca 0.00 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 61.82 2g0k s PRO 105 Cb 0.00 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 2g0k s PRO 105 CO 0.00 -1.41 0.74 -1.91 0.04 0.00 0.00 177.00 174.47 2g0k n GLU 106 N -3.35 0.00 -0.97 4.56 0.00 -1.16 -4.53 120.64 115.19 2g0k n GLU 106 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.87 2g0k n GLU 106 Cb 0.53 -0.97 -0.05 0.00 0.00 0.00 0.00 31.44 30.95 2g0k n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2g0k n GLY 107 N 1.21 -0.27 3.34 8.31 0.00 -1.26 -4.84 105.19 111.68 2g0k n GLY 107 Ca 0.14 0.47 -0.45 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.06 5.17 0.25 1.61 1.01 -1.09 -5.04 120.40 122.24 2g0k s VAL 108 Ca 0.58 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2g0k s VAL 108 Cb -0.80 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.19 2g0k s VAL 108 CO 0.37 -0.82 0.94 0.00 0.00 0.00 0.00 175.10 175.59 2g0k s ALA 109 N 1.75 3.33 0.08 5.51 0.00 -1.26 -1.52 121.76 129.65 2g0k s ALA 109 Ca 0.05 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 2g0k s ALA 109 Cb -0.28 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2g0k s ALA 109 CO 0.05 0.21 0.10 0.44 0.00 0.00 0.00 175.76 176.56 2g0k n ILE 110 N 1.39 0.00 -3.85 0.00 -5.35 0.43 -4.89 119.36 107.09 2g0k n ILE 110 Ca -0.02 -0.44 0.01 0.00 -0.27 0.00 0.00 62.75 62.03 2g0k n ILE 110 Cb 0.47 0.26 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 -0.44 -1.76 0.00 0.00 176.55 174.35 2g0k s SER 111 N -1.51 -0.02 -0.26 7.28 0.01 -1.22 -2.77 113.70 115.21 2g0k s SER 111 Ca 0.07 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 2g0k s SER 111 Cb -0.00 0.25 0.14 0.00 0.21 0.00 0.00 66.02 66.62 2g0k s SER 111 CO 0.05 -0.49 0.37 -0.36 0.41 0.00 0.00 173.24 173.22 2g0k s PHE 112 N -2.24 -0.80 0.00 2.43 0.40 -1.25 -2.79 117.98 113.72 2g0k s PHE 112 Ca 0.22 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2g0k s PHE 112 Cb 0.00 -0.12 0.00 0.00 0.51 0.00 0.00 43.02 43.42 2g0k s PHE 112 CO -0.00 -0.82 0.00 0.27 0.70 0.00 0.00 175.22 175.37