#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0l s ALA 2 N 0.00 3.46 0.06 0.00 0.00 -1.26 -5.06 121.76 118.95 2g0l s ALA 2 Ca 0.00 -1.52 -0.26 0.00 0.00 0.00 0.00 51.96 50.18 2g0l s ALA 2 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2g0l s ALA 2 CO 0.00 -1.43 0.79 -1.25 0.00 0.00 0.00 175.76 173.87 2g0l s PRO 3 N 1.96 4.52 -1.12 0.00 0.04 -1.26 -4.90 135.00 134.24 2g0l s PRO 3 Ca 0.10 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2g0l s PRO 3 Cb -0.18 -3.36 0.27 0.00 0.04 0.00 0.00 34.50 31.28 2g0l s PRO 3 CO 0.12 0.29 1.27 2.41 0.04 0.00 0.00 177.00 181.13 2g0l n THR 4 N 2.72 4.74 -2.93 1.26 -1.04 0.78 -4.98 114.28 114.84 2g0l n THR 4 Ca -0.02 -5.44 -0.44 0.00 -2.04 0.00 0.00 64.05 56.11 2g0l n THR 4 Cb 0.50 -2.44 -0.03 0.00 -1.82 0.00 0.00 70.33 66.54 2g0l n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g0l s ALA 5 N -1.38 3.25 -0.29 2.41 0.00 -1.26 -0.66 121.76 123.84 2g0l s ALA 5 Ca 0.32 -2.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 2g0l s ALA 5 Cb -0.05 -3.86 0.02 0.00 0.00 0.00 0.00 23.12 19.23 2g0l s ALA 5 CO -0.02 -2.77 0.04 0.99 0.00 0.00 0.00 175.76 174.00 2g0l s THR 6 N 3.36 3.60 0.21 0.00 2.01 -0.71 -5.00 115.64 119.11 2g0l s THR 6 Ca 0.24 -0.87 0.11 0.00 0.31 0.00 0.00 61.69 61.47 2g0l s THR 6 Cb -0.14 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 2g0l s THR 6 CO 0.03 0.07 -0.22 0.68 -0.69 0.00 0.00 174.62 174.49 2g0l s VAL 7 N 1.43 2.26 -0.55 3.82 -7.23 -1.26 -1.26 120.40 117.61 2g0l s VAL 7 Ca 0.01 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.02 2g0l s VAL 7 Cb -0.17 -2.11 0.14 0.00 0.56 0.00 0.00 36.38 34.80 2g0l s VAL 7 CO 0.00 -0.24 0.38 -0.89 -0.31 0.00 0.00 175.10 174.05 2g0l s THR 8 N -1.98 3.84 0.36 5.32 2.01 0.44 -5.00 115.64 120.63 2g0l s THR 8 Ca 0.22 -2.42 -0.26 0.00 0.31 0.00 0.00 61.69 59.54 2g0l s THR 8 Cb -0.07 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 2g0l s THR 8 CO 0.10 -0.82 1.11 -2.16 -0.69 0.00 0.00 174.62 172.17 2g0l s PRO 9 N 0.60 4.29 -0.34 4.92 0.04 -1.26 -3.49 135.00 139.77 2g0l s PRO 9 Ca 0.12 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2g0l s PRO 9 Cb -0.21 -2.82 0.20 0.00 0.04 0.00 0.00 34.50 31.71 2g0l s PRO 9 CO -0.03 -0.08 2.10 -1.13 0.04 0.00 0.00 177.00 177.90 2g0l n SER 10 N 0.42 6.49 -4.62 6.66 3.41 -1.26 -4.94 113.62 119.78 2g0l n SER 10 Ca 0.03 -3.09 -0.43 0.00 -0.26 0.00 0.00 58.87 55.12 2g0l n SER 10 Cb 0.47 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 2g0l n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2g0l s SER 11 N 0.16 6.01 0.00 4.04 0.01 -1.26 -1.49 113.70 121.16 2g0l s SER 11 Ca 0.35 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2g0l s SER 11 Cb 0.26 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2g0l s SER 11 CO -0.03 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.71 2g0l n GLY 12 N 5.12 0.16 3.98 3.44 0.00 -0.83 -5.01 105.19 112.05 2g0l n GLY 12 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 2g0l n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g0l s LEU 13 N 0.00 3.25 0.00 0.99 1.43 -0.56 -3.87 118.68 119.92 2g0l s LEU 13 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2g0l s LEU 13 Cb 0.00 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2g0l s LEU 13 CO 0.00 -1.23 0.00 -1.20 0.23 0.00 0.00 176.35 174.15 2g0l n SER 14 N -2.37 0.00 -4.85 2.29 7.64 -1.26 -2.80 113.62 112.26 2g0l n SER 14 Ca 0.09 -0.54 -0.31 0.00 1.01 0.00 0.00 58.87 59.12 2g0l n SER 14 Cb 0.60 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.83 2g0l n SER 14 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2g0l s ASP 15 N -1.00 5.76 0.00 6.43 -4.77 -1.26 -3.87 116.67 117.95 2g0l s ASP 15 Ca 0.00 1.42 0.00 0.00 -3.30 0.00 0.00 52.55 50.67 2g0l s ASP 15 Cb 0.00 -2.36 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2g0l s ASP 15 CO 0.00 -1.17 0.00 0.61 0.70 0.00 0.00 175.17 175.31 2g0l n GLY 16 N -2.54 0.53 3.80 2.12 0.00 0.29 -5.02 105.19 104.36 2g0l n GLY 16 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2g0l n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 17 N -2.00 4.47 -0.33 2.61 2.01 -1.25 -4.78 115.64 116.37 2g0l s THR 17 Ca 0.00 1.46 -0.19 0.00 0.31 0.00 0.00 61.69 63.27 2g0l s THR 17 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2g0l s THR 17 CO 0.00 0.25 0.55 -0.69 -0.69 0.00 0.00 174.62 174.04 2g0l s VAL 18 N -1.47 4.99 -0.11 3.82 1.01 -1.26 -2.07 120.40 125.32 2g0l s VAL 18 Ca 0.43 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.76 2g0l s VAL 18 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2g0l s VAL 18 CO 0.22 -0.16 0.60 -0.69 0.00 0.00 0.00 175.10 175.07 2g0l s VAL 19 N 2.46 5.10 -0.21 2.92 1.01 0.12 -4.85 120.40 126.96 2g0l s VAL 19 Ca 0.21 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 2g0l s VAL 19 Cb -0.15 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2g0l s VAL 19 CO 0.13 0.27 0.15 -0.75 0.00 0.00 0.00 175.10 174.89 2g0l s LYS 20 N 0.87 4.16 -0.20 2.72 2.20 -1.23 -1.05 119.74 127.21 2g0l s LYS 20 Ca 0.31 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 2g0l s LYS 20 Cb -0.16 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2g0l s LYS 20 CO 0.14 0.23 -0.16 0.08 -0.36 0.00 0.00 175.35 175.28 2g0l s VAL 21 N 0.56 2.03 -0.49 4.02 1.01 -0.31 -0.42 120.40 126.79 2g0l s VAL 21 Ca 0.08 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2g0l s VAL 21 Cb -0.12 -1.94 0.13 0.00 0.00 0.00 0.00 36.38 34.45 2g0l s VAL 21 CO -0.00 0.34 0.26 0.00 0.00 0.00 0.00 175.10 175.70 2g0l s ALA 22 N 1.26 2.85 -0.46 5.51 0.00 -0.39 -0.71 121.76 129.81 2g0l s ALA 22 Ca 0.01 -3.02 -0.19 0.00 0.00 0.00 0.00 51.96 48.75 2g0l s ALA 22 Cb -0.15 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 20.96 2g0l s ALA 22 CO -0.10 -2.04 0.59 0.20 0.00 0.00 0.00 175.76 174.41 2g0l s GLY 23 N -0.08 1.77 0.07 0.00 0.00 -0.43 -1.74 107.32 106.91 2g0l s GLY 23 Ca 0.18 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.44 2g0l s GLY 23 CO -0.01 1.43 0.03 0.00 0.00 0.00 0.00 173.10 174.56 2g0l s ALA 24 N 2.60 3.41 0.00 3.20 0.00 0.16 -0.33 121.76 130.81 2g0l s ALA 24 Ca 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2g0l s ALA 24 Cb -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2g0l s ALA 24 CO 0.15 0.71 0.00 0.41 0.00 0.00 0.00 175.76 177.03 2g0l n GLY 25 N 0.67 0.54 2.21 0.00 0.00 -0.39 -0.16 105.19 108.06 2g0l n GLY 25 Ca -0.10 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2g0l n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g0l n LEU 26 N -0.14 0.00 -4.66 0.99 4.77 0.60 -4.56 117.00 114.00 2g0l n LEU 26 Ca 0.00 -1.63 -0.43 0.00 -0.03 0.00 0.00 56.01 53.92 2g0l n LEU 26 Cb 0.50 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2g0l n LEU 26 CO 0.00 -0.47 1.08 -1.58 -1.33 0.00 0.00 177.39 175.09 2g0l s GLN 27 N -3.33 4.18 0.50 3.23 2.00 -1.26 -4.53 119.66 120.45 2g0l s GLN 27 Ca 0.20 1.58 -0.20 0.00 -2.00 0.00 0.00 55.36 54.94 2g0l s GLN 27 Cb -0.02 -3.78 -0.08 0.00 0.80 0.00 0.00 33.01 29.94 2g0l s GLN 27 CO 0.13 -0.77 1.05 0.00 -0.50 0.00 0.00 175.29 175.20 2g0l s ALA 28 N 3.63 2.84 -0.41 1.58 0.00 -1.26 -3.63 121.76 124.51 2g0l s ALA 28 Ca 0.54 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2g0l s ALA 28 Cb -0.20 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2g0l s ALA 28 CO 0.15 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2g0l n GLY 29 N -0.24 0.56 3.17 0.00 0.00 -0.93 -4.99 105.19 102.76 2g0l n GLY 29 Ca 0.10 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 2g0l n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 30 N -2.17 1.35 -0.03 2.61 2.01 -1.24 -4.96 115.64 113.22 2g0l s THR 30 Ca 0.00 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 2g0l s THR 30 Cb 0.00 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 2g0l s THR 30 CO 0.00 0.27 0.38 0.00 -0.69 0.00 0.00 174.62 174.57 2g0l s ALA 31 N -0.56 3.70 -0.10 7.40 0.00 -1.26 -0.86 121.76 130.08 2g0l s ALA 31 Ca 0.06 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.78 2g0l s ALA 31 Cb -0.07 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 2g0l s ALA 31 CO 0.00 0.46 -0.22 0.71 0.00 0.00 0.00 175.76 176.71 2g0l s TYR 32 N -0.92 2.59 -0.32 0.00 1.51 0.22 -3.05 117.35 117.39 2g0l s TYR 32 Ca 0.22 -0.91 -0.23 0.00 -1.01 0.00 0.00 57.07 55.15 2g0l s TYR 32 Cb -0.16 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 2g0l s TYR 32 CO 0.12 -0.34 0.76 -0.51 -1.11 0.00 0.00 175.55 174.47 2g0l s ASP 33 N 0.24 6.61 -0.18 2.29 1.11 0.13 -2.34 116.67 124.53 2g0l s ASP 33 Ca -0.14 0.56 0.01 0.00 0.18 0.00 0.00 52.55 53.15 2g0l s ASP 33 Cb -0.17 -2.39 0.02 0.00 1.07 0.00 0.00 42.92 41.46 2g0l s ASP 33 CO 0.07 -0.62 -0.18 -0.69 1.18 0.00 0.00 175.17 174.94 2g0l s VAL 34 N 2.93 2.00 0.30 -1.27 1.01 -1.10 -2.41 120.40 121.86 2g0l s VAL 34 Ca 0.31 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2g0l s VAL 34 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2g0l s VAL 34 CO 0.13 0.46 0.51 -0.83 0.00 0.00 0.00 175.10 175.37 2g0l s GLY 35 N 1.30 0.95 -0.72 4.51 0.00 -0.38 -2.18 107.32 110.80 2g0l s GLY 35 Ca 0.03 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 2g0l s GLY 35 CO -0.12 -0.77 3.05 0.61 0.00 0.00 0.00 173.10 175.87 2g0l n GLN 36 N -0.47 2.95 -1.64 2.90 10.64 -1.26 0.06 117.38 130.55 2g0l n GLN 36 Ca -0.01 -2.04 -0.34 0.00 -1.83 0.00 0.00 57.00 52.78 2g0l n GLN 36 Cb 0.62 -2.33 -0.04 0.00 -0.86 0.00 0.00 30.24 27.63 2g0l n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2g0l s ALA 38 N 12.04 4.60 -0.10 0.00 0.00 -0.97 -4.22 121.76 133.11 2g0l s ALA 38 Ca 0.92 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 2g0l s ALA 38 Cb -0.16 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 2g0l s ALA 38 CO 0.22 -0.67 1.73 -1.58 0.00 0.00 0.00 175.76 175.46 2g0l s TRP 39 N -2.65 1.85 -0.04 0.00 0.52 -1.26 -0.97 118.94 116.39 2g0l s TRP 39 Ca 0.54 0.22 0.14 0.00 0.02 0.00 0.00 56.10 57.02 2g0l s TRP 39 Cb -0.05 -3.98 -0.21 0.00 -1.15 0.00 0.00 33.47 28.08 2g0l s TRP 39 CO 0.34 -3.87 0.26 1.55 0.02 0.00 0.00 176.95 175.25 2g0l n VAL 40 N 5.91 0.15 -3.94 4.03 3.14 0.20 -4.90 118.33 122.91 2g0l n VAL 40 Ca 0.19 -0.36 -0.11 0.00 -2.96 0.00 0.00 64.34 61.10 2g0l n VAL 40 Cb 0.43 0.04 -0.02 0.00 -1.06 0.00 0.00 33.84 33.24 2g0l n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2g0l s ASP 41 N -3.78 0.27 -0.66 6.55 -1.08 -0.58 -4.99 116.67 112.41 2g0l s ASP 41 Ca -0.05 -1.17 -0.26 0.00 -0.52 0.00 0.00 52.55 50.55 2g0l s ASP 41 Cb 0.08 0.73 -0.06 0.00 -1.46 0.00 0.00 42.92 42.20 2g0l s ASP 41 CO 0.57 -1.42 2.16 -0.89 0.52 0.00 0.00 175.17 176.12 2g0l s THR 42 N -3.05 3.19 0.00 1.71 2.01 -1.26 -1.62 115.64 116.62 2g0l s THR 42 Ca 0.21 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2g0l s THR 42 Cb -0.03 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.01 2g0l s THR 42 CO 0.14 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 2g0l n GLY 43 N 6.21 0.65 3.15 4.40 0.00 -1.26 -5.04 105.19 113.30 2g0l n GLY 43 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2g0l n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g0l s VAL 44 N -2.03 1.71 0.26 1.61 1.01 -0.64 -5.09 120.40 117.23 2g0l s VAL 44 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2g0l s VAL 44 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2g0l s VAL 44 CO 0.00 0.48 0.06 -0.76 0.00 0.00 0.00 175.10 174.88 2g0l s LEU 45 N 0.46 3.40 -0.09 3.92 1.02 -1.26 -0.62 118.68 125.52 2g0l s LEU 45 Ca -0.17 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.42 2g0l s LEU 45 Cb -0.17 -1.94 0.03 0.00 0.02 0.00 0.00 46.19 44.13 2g0l s LEU 45 CO 0.07 -0.01 0.21 0.00 0.02 0.00 0.00 176.35 176.65 2g0l s ALA 46 N -2.23 -0.50 0.39 4.21 0.00 -0.14 -4.78 121.76 118.71 2g0l s ALA 46 Ca 0.32 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 2g0l s ALA 46 Cb -0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2g0l s ALA 46 CO 0.21 -0.14 0.62 0.00 0.00 0.00 0.00 175.76 176.45 2g0l s ASN 48 N -4.06 6.39 0.00 0.00 4.22 -1.25 -0.12 114.94 120.12 2g0l s ASN 48 Ca 0.42 0.38 0.28 0.00 -2.14 0.00 0.00 52.86 51.80 2g0l s ASN 48 Cb -0.10 -2.27 1.11 0.00 1.28 0.00 0.00 41.25 41.26 2g0l s ASN 48 CO 0.38 -0.33 1.79 -0.81 -2.04 0.00 0.00 177.10 176.09 2g0l n PRO 49 N 5.59 0.67 0.00 3.55 -0.04 -1.26 -3.40 135.00 140.12 2g0l n PRO 49 Ca -0.04 -0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.26 2g0l n PRO 49 Cb 0.50 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 2g0l n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g0l n ALA 50 N -0.93 3.38 -2.71 0.55 0.00 -1.26 -4.58 120.51 114.96 2g0l n ALA 50 Ca 0.13 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.98 2g0l n ALA 50 Cb 0.30 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 18.88 2g0l n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2g0l n ASP 51 N -0.41 -2.02 -4.62 0.00 2.03 -1.24 -5.15 116.55 105.15 2g0l n ASP 51 Ca 0.10 -3.11 -0.29 0.00 0.52 0.00 0.00 54.79 52.01 2g0l n ASP 51 Cb 0.40 1.64 -0.09 0.00 -0.72 0.00 0.00 41.12 42.35 2g0l n ASP 51 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2g0l s PHE 52 N 0.21 2.15 -0.08 -0.67 -0.71 -1.22 -4.49 117.98 113.17 2g0l s PHE 52 Ca 0.21 -0.86 -0.00 0.00 -1.04 0.00 0.00 56.93 55.24 2g0l s PHE 52 Cb 0.30 -1.61 0.02 0.00 -1.21 0.00 0.00 43.02 40.52 2g0l s PHE 52 CO -0.08 0.26 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.89 2g0l s SER 53 N -3.74 1.76 -1.06 1.98 0.01 -0.92 -5.05 113.70 106.67 2g0l s SER 53 Ca 0.23 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 2g0l s SER 53 Cb 0.06 -0.63 0.17 0.00 0.21 0.00 0.00 66.02 65.83 2g0l s SER 53 CO 0.12 -0.13 1.22 -0.44 0.41 0.00 0.00 173.24 174.42 2g0l s SER 54 N 1.64 6.91 0.43 2.44 0.01 -1.26 -2.70 113.70 121.17 2g0l s SER 54 Ca 0.02 -2.70 -0.15 0.00 1.31 0.00 0.00 55.95 54.43 2g0l s SER 54 Cb -0.13 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 2g0l s SER 54 CO -0.05 -0.79 0.86 0.54 0.41 0.00 0.00 173.24 174.21 2g0l s VAL 55 N 1.52 4.63 0.02 3.43 0.11 -0.99 -4.85 120.40 124.28 2g0l s VAL 55 Ca 0.35 0.99 0.07 0.00 -2.93 0.00 0.00 61.98 60.46 2g0l s VAL 55 Cb -0.05 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 2g0l s VAL 55 CO -0.05 -0.50 -0.20 0.28 -3.33 0.00 0.00 175.10 171.31 2g0l s THR 56 N -2.37 1.56 0.04 5.04 -1.32 -1.26 0.72 115.64 118.04 2g0l s THR 56 Ca 0.56 -1.05 -0.30 0.00 -1.21 0.00 0.00 61.69 59.68 2g0l s THR 56 Cb -0.10 -1.34 -0.06 0.00 -1.51 0.00 0.00 72.50 69.49 2g0l s THR 56 CO 0.27 0.26 1.28 0.00 -2.21 0.00 0.00 174.62 174.22 2g0l s ALA 57 N -0.69 3.49 1.10 11.08 0.00 -0.04 -4.61 121.76 132.09 2g0l s ALA 57 Ca 0.07 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2g0l s ALA 57 Cb -0.08 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.70 2g0l s ALA 57 CO 0.01 -0.63 0.75 -0.40 0.00 0.00 0.00 175.76 175.48 2g0l n ASP 58 N 4.48 -1.04 0.00 0.00 5.75 0.19 -2.20 116.55 123.73 2g0l n ASP 58 Ca 0.11 -1.07 0.06 0.00 -0.01 0.00 0.00 54.79 53.88 2g0l n ASP 58 Cb 0.45 -0.64 0.35 0.00 -1.03 0.00 0.00 41.12 40.25 2g0l n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0l n ALA 59 N -3.94 1.92 0.70 2.12 0.00 -1.26 -0.85 120.51 119.20 2g0l n ALA 59 Ca -0.13 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.31 2g0l n ALA 59 Cb 0.37 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.64 2g0l n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2g0l n ASN 60 N -1.04 1.78 -0.16 0.00 3.02 -1.26 -4.96 115.26 112.64 2g0l n ASN 60 Ca 0.09 -1.39 -0.01 0.00 -0.03 0.00 0.00 54.58 53.23 2g0l n ASN 60 Cb 0.05 0.36 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2g0l n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g0l n GLY 61 N 1.09 0.34 3.32 7.41 0.00 -0.03 -4.50 105.19 112.84 2g0l n GLY 61 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2g0l n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g0l s SER 62 N -2.94 3.08 -0.25 1.61 1.04 -1.26 -0.30 113.70 114.69 2g0l s SER 62 Ca 0.00 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 2g0l s SER 62 Cb 0.00 -0.30 0.08 0.00 0.10 0.00 0.00 66.02 65.90 2g0l s SER 62 CO 0.00 0.28 0.08 0.00 0.98 0.00 0.00 173.24 174.58 2g0l s ALA 63 N -0.72 0.97 -0.18 5.32 0.00 0.55 -0.64 121.76 127.06 2g0l s ALA 63 Ca 0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2g0l s ALA 63 Cb -0.10 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2g0l s ALA 63 CO 0.01 -1.42 -0.02 -1.54 0.00 0.00 0.00 175.76 172.79 2g0l s SER 64 N 1.89 4.86 0.24 0.00 1.04 -1.25 -1.32 113.70 119.16 2g0l s SER 64 Ca 0.05 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 2g0l s SER 64 Cb -0.17 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 2g0l s SER 64 CO -0.20 0.13 0.33 0.28 0.98 0.00 0.00 173.24 174.76 2g0l s THR 65 N 0.62 0.00 0.08 2.02 -1.32 0.11 -4.97 115.64 112.17 2g0l s THR 65 Ca -0.01 -1.68 0.08 0.00 -1.21 0.00 0.00 61.69 58.87 2g0l s THR 65 Cb -0.14 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2g0l s THR 65 CO 0.02 0.00 -0.22 -0.44 -2.21 0.00 0.00 174.62 171.77 2g0l s SER 66 N -3.10 2.64 -0.03 8.08 0.01 -1.26 -1.16 113.70 118.88 2g0l s SER 66 Ca 0.30 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.95 2g0l s SER 66 Cb 0.03 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2g0l s SER 66 CO 0.12 0.13 -0.04 -0.22 0.41 0.00 0.00 173.24 173.63 2g0l s LEU 67 N -1.59 1.56 -0.35 2.44 1.98 -0.22 -4.62 118.68 117.89 2g0l s LEU 67 Ca 0.08 -0.10 -0.15 0.00 -2.89 0.00 0.00 54.13 51.07 2g0l s LEU 67 Cb -0.10 -0.34 -0.01 0.00 0.66 0.00 0.00 46.19 46.41 2g0l s LEU 67 CO 0.03 -0.01 0.35 -0.89 -1.89 0.00 0.00 176.35 173.94 2g0l s THR 68 N 0.52 5.18 -0.34 3.68 2.01 -1.26 0.14 115.64 125.57 2g0l s THR 68 Ca -0.06 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2g0l s THR 68 Cb -0.10 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2g0l s THR 68 CO -0.00 -0.13 1.07 0.54 -0.69 0.00 0.00 174.62 175.41 2g0l s VAL 69 N 1.97 4.49 0.35 3.82 0.11 -0.88 -4.90 120.40 125.37 2g0l s VAL 69 Ca 0.11 1.66 0.04 0.00 -2.93 0.00 0.00 61.98 60.86 2g0l s VAL 69 Cb -0.17 -4.43 -0.01 0.00 -1.53 0.00 0.00 36.38 30.24 2g0l s VAL 69 CO 0.12 -0.53 0.51 -0.13 -3.33 0.00 0.00 175.10 171.74 2g0l s ARG 70 N 3.70 3.17 -0.02 1.54 1.81 -1.26 -0.55 118.95 127.34 2g0l s ARG 70 Ca 0.45 -0.81 -0.23 0.00 -1.72 0.00 0.00 55.73 53.43 2g0l s ARG 70 Cb -0.12 -2.76 -0.22 0.00 -0.45 0.00 0.00 34.95 31.41 2g0l s ARG 70 CO 0.17 0.03 1.10 -0.09 -0.68 0.00 0.00 175.30 175.84 2g0l h ARG 71 N 0.80 0.25 -5.09 3.54 9.65 -1.96 -3.45 114.38 118.13 2g0l h ARG 71 Ca -0.47 -0.24 -0.51 0.00 -1.10 0.00 0.00 59.98 57.66 2g0l h ARG 71 Cb 1.25 0.06 -0.31 0.00 -1.39 0.00 0.00 29.97 29.58 2g0l h ARG 71 CO 0.55 0.92 -0.82 -1.12 2.80 0.00 0.00 179.97 182.31 2g0l s SER 72 N -6.36 1.80 0.17 -3.80 0.01 -1.26 0.26 113.70 104.51 2g0l s SER 72 Ca -0.15 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 2g0l s SER 72 Cb 0.02 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.81 2g0l s SER 72 CO 0.76 0.13 0.37 0.72 0.41 0.00 0.00 173.24 175.63 2g0l s PHE 73 N 0.03 0.16 0.03 2.43 -0.71 0.05 -5.02 117.98 114.94 2g0l s PHE 73 Ca -0.02 -0.52 -0.25 0.00 -1.04 0.00 0.00 56.93 55.10 2g0l s PHE 73 Cb -0.10 0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2g0l s PHE 73 CO 0.01 -0.78 0.76 -1.21 -1.34 0.00 0.00 175.22 172.66 2g0l s GLU 74 N -3.92 4.48 -0.22 1.99 8.01 -1.26 0.08 118.70 127.85 2g0l s GLU 74 Ca 0.13 1.03 -0.19 0.00 0.01 0.00 0.00 54.97 55.95 2g0l s GLU 74 Cb 0.02 -3.38 -0.03 0.00 -4.31 0.00 0.00 34.13 26.43 2g0l s GLU 74 CO -0.02 0.25 0.55 0.20 0.01 0.00 0.00 175.26 176.24 2g0l s GLY 75 N 0.09 1.97 0.05 -1.39 0.00 0.17 -3.75 107.32 104.47 2g0l s GLY 75 Ca 0.38 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.76 2g0l s GLY 75 CO 0.22 1.21 -0.23 -1.36 0.00 0.00 0.00 173.10 172.94 2g0l s PHE 76 N 1.98 2.04 0.73 1.90 0.40 0.82 -1.19 117.98 124.66 2g0l s PHE 76 Ca 0.24 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 2g0l s PHE 76 Cb -0.16 -1.21 0.11 0.00 0.51 0.00 0.00 43.02 42.28 2g0l s PHE 76 CO 0.09 0.12 1.02 -0.51 0.70 0.00 0.00 175.22 176.64 2g0l s LEU 77 N -1.27 2.95 0.00 -0.37 1.43 0.11 -1.42 118.68 120.10 2g0l s LEU 77 Ca 0.09 -0.05 0.26 0.00 -1.03 0.00 0.00 54.13 53.40 2g0l s LEU 77 Cb -0.09 -2.38 1.15 0.00 0.03 0.00 0.00 46.19 44.89 2g0l s LEU 77 CO 0.02 -1.84 1.85 0.49 0.23 0.00 0.00 176.35 177.10 2g0l n PHE 78 N -2.92 0.00 1.00 0.29 3.01 -1.26 -2.69 117.46 114.89 2g0l n PHE 78 Ca 0.13 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.70 2g0l n PHE 78 Cb 0.60 -0.47 0.14 0.00 -0.01 0.00 0.00 39.48 39.74 2g0l n PHE 78 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2g0l n ASP 79 N -1.47 0.65 0.00 4.37 5.68 -1.26 -4.95 116.55 119.57 2g0l n ASP 79 Ca 0.07 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 2g0l n ASP 79 Cb 0.29 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 2g0l n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g0l n GLY 80 N 1.50 0.77 3.87 6.12 0.00 -1.09 -5.09 105.19 111.26 2g0l n GLY 80 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2g0l n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 81 N -2.00 5.16 -0.07 2.61 2.01 -1.26 -4.85 115.64 117.24 2g0l s THR 81 Ca 0.00 0.36 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 2g0l s THR 81 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2g0l s THR 81 CO 0.00 0.30 0.34 0.00 -0.69 0.00 0.00 174.62 174.57 2g0l s ARG 82 N -1.88 3.94 -0.12 4.92 1.70 -1.26 0.08 118.95 126.32 2g0l s ARG 82 Ca 0.32 0.24 0.19 0.00 -0.47 0.00 0.00 55.73 56.00 2g0l s ARG 82 Cb -0.14 -3.28 -0.27 0.00 -0.57 0.00 0.00 34.95 30.69 2g0l s ARG 82 CO 0.18 0.56 0.24 1.87 -1.08 0.00 0.00 175.30 177.07 2g0l n TRP 83 N 2.39 0.00 -1.19 5.89 -0.00 -0.33 -4.96 117.44 119.24 2g0l n TRP 83 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 2g0l n TRP 83 Cb 0.53 -0.73 0.00 0.00 -0.00 0.00 0.00 31.31 31.10 2g0l n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2g0l n GLY 84 N 1.60 -1.37 3.67 5.87 0.00 -1.24 -5.02 105.19 108.71 2g0l n GLY 84 Ca -0.19 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 2g0l n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g0l s THR 85 N -2.13 5.16 -0.11 2.61 2.01 -1.26 0.46 115.64 122.37 2g0l s THR 85 Ca 0.00 0.85 -0.05 0.00 0.31 0.00 0.00 61.69 62.80 2g0l s THR 85 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2g0l s THR 85 CO 0.00 0.23 0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 2g0l s VAL 86 N 1.34 5.03 0.04 3.82 1.01 0.11 -4.90 120.40 126.86 2g0l s VAL 86 Ca 0.22 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.31 2g0l s VAL 86 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2g0l s VAL 86 CO 0.09 0.61 -0.21 -0.62 0.00 0.00 0.00 175.10 174.97 2g0l s ASP 87 N -0.91 2.50 -0.26 3.32 2.15 -1.26 -0.77 116.67 121.43 2g0l s ASP 87 Ca 0.14 -0.52 0.09 0.00 0.43 0.00 0.00 52.55 52.69 2g0l s ASP 87 Cb -0.12 -0.21 0.45 0.00 -0.30 0.00 0.00 42.92 42.74 2g0l s ASP 87 CO 0.03 0.17 1.19 0.00 -0.17 0.00 0.00 175.17 176.39 2g0l n THR 89 N -0.79 1.76 0.01 0.00 -1.04 -1.26 -4.48 114.28 108.48 2g0l n THR 89 Ca 0.36 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2g0l n THR 89 Cb 0.90 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 2g0l n THR 89 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2g0l n THR 90 N -3.41 0.03 -4.43 12.58 5.66 -1.26 -5.05 114.28 118.40 2g0l n THR 90 Ca -0.29 -0.52 -0.21 0.00 -3.05 0.00 0.00 64.05 59.99 2g0l n THR 90 Cb 1.05 0.99 -0.11 0.00 -1.55 0.00 0.00 70.33 70.71 2g0l n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2g0l s ALA 91 N -0.05 2.27 0.55 1.79 0.00 -1.26 -5.16 121.76 119.90 2g0l s ALA 91 Ca 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 51.96 49.95 2g0l s ALA 91 Cb 0.00 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2g0l s ALA 91 CO 0.00 -0.28 0.79 0.00 0.00 0.00 0.00 175.76 176.27 2g0l s ALA 92 N -3.30 3.69 0.10 0.00 0.00 -1.26 -4.67 121.76 116.33 2g0l s ALA 92 Ca 0.35 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2g0l s ALA 92 Cb 0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2g0l s ALA 92 CO 0.14 -0.73 0.05 0.00 0.00 0.00 0.00 175.76 175.22 2g0l s GLN 94 N -3.98 1.42 -0.28 0.00 0.00 -1.26 -0.75 119.66 114.81 2g0l s GLN 94 Ca 0.16 -1.75 -0.12 0.00 -0.00 0.00 0.00 55.36 53.65 2g0l s GLN 94 Cb 0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 33.01 32.51 2g0l s GLN 94 CO -0.04 -0.19 0.24 0.08 0.00 0.00 0.00 175.29 175.39 2g0l s VAL 95 N -3.53 5.27 -0.25 3.63 1.01 -0.15 -3.28 120.40 123.11 2g0l s VAL 95 Ca 0.33 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 2g0l s VAL 95 Cb 0.07 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2g0l s VAL 95 CO 0.12 0.22 0.50 -0.83 0.00 0.00 0.00 175.10 175.11 2g0l s GLY 96 N 1.73 1.90 -0.20 4.51 0.00 0.11 -3.62 107.32 111.74 2g0l s GLY 96 Ca 0.09 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 2g0l s GLY 96 CO 0.11 1.17 0.09 0.48 0.00 0.00 0.00 173.10 174.95 2g0l s LEU 97 N 2.11 0.60 0.17 0.66 0.05 -1.26 -1.25 118.68 119.77 2g0l s LEU 97 Ca 0.21 -0.82 -0.15 0.00 0.05 0.00 0.00 54.13 53.42 2g0l s LEU 97 Cb -0.16 -0.35 0.02 0.00 -2.05 0.00 0.00 46.19 43.66 2g0l s LEU 97 CO 0.09 -0.36 0.43 -0.44 -0.55 0.00 0.00 176.35 175.52 2g0l s SER 98 N 2.06 -0.18 1.01 1.48 0.01 -1.01 -4.25 113.70 112.82 2g0l s SER 98 Ca 0.03 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 2g0l s SER 98 Cb -0.16 0.52 0.22 0.00 0.21 0.00 0.00 66.02 66.80 2g0l s SER 98 CO -0.15 -0.96 1.24 -0.90 0.41 0.00 0.00 173.24 172.88 2g0l n ASP 99 N -0.28 -0.04 0.02 2.44 5.75 -0.13 0.21 116.55 124.52 2g0l n ASP 99 Ca -0.11 -1.43 0.09 0.00 -0.01 0.00 0.00 54.79 53.33 2g0l n ASP 99 Cb 0.63 -0.96 0.52 0.00 -1.03 0.00 0.00 41.12 40.28 2g0l n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0l h ALA 100 N -1.86 1.96 -0.00 2.12 0.00 -1.88 -1.82 119.26 117.78 2g0l h ALA 100 Ca -0.40 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 2g0l h ALA 100 Cb 1.12 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2g0l h ALA 100 CO 0.28 -0.03 -1.00 0.00 0.00 0.00 0.00 179.25 178.50 2g0l h ALA 101 N 1.78 0.23 0.00 0.00 0.00 -1.92 -3.48 119.26 115.86 2g0l h ALA 101 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2g0l h ALA 101 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2g0l h ALA 101 CO -0.04 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2g0l n GLY 102 N 1.02 1.98 3.68 0.00 0.00 -0.68 -5.14 105.19 106.04 2g0l n GLY 102 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2g0l n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g0l s ASN 103 N -2.00 3.84 0.00 1.61 0.01 -1.26 -4.83 114.94 112.31 2g0l s ASN 103 Ca 0.00 -1.56 0.00 0.00 -0.71 0.00 0.00 52.86 50.59 2g0l s ASN 103 Cb 0.00 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.88 2g0l s ASN 103 CO 0.00 -0.73 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 2g0l n GLY 104 N -1.12 0.38 3.84 0.66 0.00 -1.26 -0.96 105.19 106.74 2g0l n GLY 104 Ca -0.13 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 2g0l n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2g0l s PRO 105 N -1.31 2.13 0.22 1.61 0.02 -1.26 -5.04 135.00 131.38 2g0l s PRO 105 Ca 0.00 0.43 -0.23 0.00 0.02 0.00 0.00 61.00 61.21 2g0l s PRO 105 Cb 0.00 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 2g0l s PRO 105 CO 0.00 -1.54 0.79 -2.00 -0.33 0.00 0.00 177.00 173.92 2g0l s GLU 106 N -5.32 4.45 -0.00 5.54 2.12 -1.26 -4.85 118.70 119.37 2g0l s GLU 106 Ca 0.61 1.08 -0.30 0.00 0.36 0.00 0.00 54.97 56.72 2g0l s GLU 106 Cb -0.13 -3.01 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 2g0l s GLU 106 CO 0.52 0.44 1.52 0.20 -0.54 0.00 0.00 175.26 177.40 2g0l s GLY 107 N -1.45 1.68 -0.12 -1.50 0.00 -1.26 -4.95 107.32 99.72 2g0l s GLY 107 Ca 0.42 0.96 -0.19 0.00 0.00 0.00 0.00 44.72 45.91 2g0l s GLY 107 CO 0.24 2.74 0.53 0.14 0.00 0.00 0.00 173.10 176.75 2g0l s VAL 108 N 2.91 5.15 0.10 1.40 1.01 -1.24 -4.89 120.40 124.85 2g0l s VAL 108 Ca 0.68 1.05 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 2g0l s VAL 108 Cb -0.34 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2g0l s VAL 108 CO 0.28 0.28 0.52 0.00 0.00 0.00 0.00 175.10 176.18 2g0l s ALA 109 N 0.83 3.61 0.26 5.51 0.00 -1.26 -0.97 121.76 129.74 2g0l s ALA 109 Ca 0.28 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2g0l s ALA 109 Cb -0.16 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2g0l s ALA 109 CO 0.12 0.46 0.07 0.96 0.00 0.00 0.00 175.76 177.37 2g0l s ILE 110 N -1.33 0.73 -0.04 0.00 -4.36 0.07 -4.97 121.20 111.30 2g0l s ILE 110 Ca 0.34 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.58 2g0l s ILE 110 Cb -0.16 -2.60 0.03 0.00 1.25 0.00 0.00 42.46 40.97 2g0l s ILE 110 CO 0.18 -0.07 0.32 -0.44 0.24 0.00 0.00 174.94 175.17 2g0l s SER 111 N -3.34 -0.23 0.82 4.36 0.01 -1.26 -3.16 113.70 110.91 2g0l s SER 111 Ca 0.36 0.22 -0.12 0.00 1.31 0.00 0.00 55.95 57.72 2g0l s SER 111 Cb 0.08 0.40 0.09 0.00 0.21 0.00 0.00 66.02 66.80 2g0l s SER 111 CO 0.13 -0.37 1.18 -0.36 0.41 0.00 0.00 173.24 174.23 2g0l s PHE 112 N -0.98 2.87 -2.00 2.43 0.08 -1.26 -1.97 117.98 117.14 2g0l s PHE 112 Ca -0.10 0.74 0.29 0.00 0.12 0.00 0.00 56.93 57.97 2g0l s PHE 112 Cb -0.05 -3.52 1.74 0.00 -0.57 0.00 0.00 43.02 40.62 2g0l s PHE 112 CO 0.03 -1.85 2.07 0.27 -0.10 0.00 0.00 175.22 175.65