#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wub s ILE 2 N 0.00 3.34 -0.10 0.53 1.01 -1.26 -5.03 121.20 119.68 2wub s ILE 2 Ca 0.00 1.19 -0.03 0.00 0.00 0.00 0.00 60.65 61.81 2wub s ILE 2 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2wub s ILE 2 CO 0.00 0.17 0.03 -1.10 0.00 0.00 0.00 174.94 174.04 2wub s GLN 3 N -2.02 3.19 -0.21 2.79 -1.52 -1.26 -4.79 119.66 115.84 2wub s GLN 3 Ca 0.52 -0.35 -0.01 0.00 -1.95 0.00 0.00 55.36 53.57 2wub s GLN 3 Cb -0.30 -2.91 0.01 0.00 -0.22 0.00 0.00 33.01 29.59 2wub s GLN 3 CO 0.38 0.66 -0.12 -1.64 -0.25 0.00 0.00 175.29 174.32 2wub s MET 4 N -0.74 3.09 -0.26 2.91 -1.94 -1.26 -0.93 119.30 120.17 2wub s MET 4 Ca 0.12 -0.79 -0.05 0.00 -1.71 0.00 0.00 55.69 53.26 2wub s MET 4 Cb -0.12 -2.81 0.01 0.00 2.01 0.00 0.00 34.83 33.93 2wub s MET 4 CO 0.02 -0.24 0.01 0.99 -0.01 0.00 0.00 175.02 175.79 2wub s THR 5 N 1.36 3.53 0.03 2.05 2.01 -0.20 -3.98 115.64 120.45 2wub s THR 5 Ca 0.04 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2wub s THR 5 Cb -0.14 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2wub s THR 5 CO -0.08 0.20 0.10 -1.10 -0.69 0.00 0.00 174.62 173.05 2wub s GLN 6 N 1.45 3.06 -0.06 4.92 -0.21 -1.26 -0.36 119.66 127.19 2wub s GLN 6 Ca 0.03 -0.55 -0.18 0.00 0.02 0.00 0.00 55.36 54.67 2wub s GLN 6 Cb -0.16 -2.84 0.04 0.00 1.00 0.00 0.00 33.01 31.05 2wub s GLN 6 CO -0.01 0.61 0.42 -1.54 -2.12 0.00 0.00 175.29 172.66 2wub s SER 7 N -2.08 -0.36 0.85 5.90 1.04 -0.80 -4.42 113.70 113.83 2wub s SER 7 Ca 0.27 0.42 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 2wub s SER 7 Cb -0.12 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.61 2wub s SER 7 CO 0.19 -0.41 1.14 -2.16 0.98 0.00 0.00 173.24 172.98 2wub s PRO 8 N -0.91 1.65 0.56 4.02 0.04 -1.26 -1.89 135.00 137.21 2wub s PRO 8 Ca -0.10 0.28 0.31 0.00 0.04 0.00 0.00 61.00 61.53 2wub s PRO 8 Cb -0.04 -1.90 1.68 0.00 0.04 0.00 0.00 34.50 34.29 2wub s PRO 8 CO 0.05 -1.84 2.16 0.66 0.04 0.00 0.00 177.00 178.06 2wub h SER 9 N -1.24 0.00 -5.36 6.66 4.64 -1.83 -3.41 113.55 113.00 2wub h SER 9 Ca -0.48 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.01 2wub h SER 9 Cb 1.32 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 2wub h SER 9 CO 0.63 0.06 0.52 -0.94 -0.87 0.00 0.00 176.83 176.24 2wub s SER 10 N -6.00 -0.11 -0.11 4.97 1.04 -1.26 -2.03 113.70 110.20 2wub s SER 10 Ca -0.04 -0.50 -0.31 0.00 0.48 0.00 0.00 55.95 55.58 2wub s SER 10 Cb 0.13 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.87 2wub s SER 10 CO 0.55 -0.93 1.04 -1.48 0.98 0.00 0.00 173.24 173.40 2wub s LEU 11 N -3.09 -0.27 -0.03 2.42 0.05 -0.15 -4.87 118.68 112.74 2wub s LEU 11 Ca 0.15 0.07 0.05 0.00 0.05 0.00 0.00 54.13 54.45 2wub s LEU 11 Cb -0.02 1.72 -0.02 0.00 -2.05 0.00 0.00 46.19 45.82 2wub s LEU 11 CO 0.03 -0.41 -0.18 -0.44 -0.55 0.00 0.00 176.35 174.80 2wub s SER 12 N -2.09 3.70 0.31 1.48 0.01 -1.26 -0.44 113.70 115.40 2wub s SER 12 Ca 0.06 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 2wub s SER 12 Cb -0.01 -0.66 0.01 0.00 0.21 0.00 0.00 66.02 65.57 2wub s SER 12 CO -0.06 0.33 0.43 0.00 0.41 0.00 0.00 173.24 174.35 2wub n ALA 13 N 2.24 -0.31 -2.83 1.44 0.00 -0.49 -4.83 120.51 115.73 2wub n ALA 13 Ca -0.17 -1.41 -0.14 0.00 0.00 0.00 0.00 53.44 51.73 2wub n ALA 13 Cb 0.52 1.13 -0.12 0.00 0.00 0.00 0.00 19.45 20.98 2wub n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wub s SER 14 N -2.88 0.89 -0.01 0.00 0.01 -1.26 -0.06 113.70 110.38 2wub s SER 14 Ca 0.25 -0.47 -0.39 0.00 1.31 0.00 0.00 55.95 56.64 2wub s SER 14 Cb -0.01 0.01 -0.19 0.00 0.21 0.00 0.00 66.02 66.04 2wub s SER 14 CO 0.18 -0.14 1.21 0.52 0.41 0.00 0.00 173.24 175.42 2wub n VAL 15 N 1.72 0.01 0.00 3.43 0.31 -1.26 0.36 118.33 122.90 2wub n VAL 15 Ca -0.21 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2wub n VAL 15 Cb 0.55 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 2wub n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wub n GLY 16 N 2.06 1.41 3.77 2.92 0.00 0.13 -4.90 105.19 110.57 2wub n GLY 16 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2wub n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wub s ASP 17 N -1.93 4.71 -0.39 1.61 1.11 0.16 -4.24 116.67 117.68 2wub s ASP 17 Ca 0.00 1.88 -0.07 0.00 0.18 0.00 0.00 52.55 54.53 2wub s ASP 17 Cb 0.00 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.53 2wub s ASP 17 CO 0.00 -1.90 0.21 -0.60 1.18 0.00 0.00 175.17 174.06 2wub s ARG 18 N -4.65 2.53 0.20 8.23 3.52 -1.25 0.17 118.95 127.71 2wub s ARG 18 Ca 0.63 -1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 54.79 2wub s ARG 18 Cb -0.18 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 2wub s ARG 18 CO 0.51 -0.89 0.40 0.08 -0.81 0.00 0.00 175.30 174.60 2wub s VAL 19 N 1.38 5.20 -0.28 7.11 1.01 -1.02 -4.94 120.40 128.86 2wub s VAL 19 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2wub s VAL 19 Cb -0.22 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.59 2wub s VAL 19 CO 0.01 -0.18 0.43 -0.89 0.00 0.00 0.00 175.10 174.47 2wub s THR 20 N -1.87 -0.68 0.25 3.92 2.01 -1.26 -1.51 115.64 116.51 2wub s THR 20 Ca 0.39 -0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 2wub s THR 20 Cb -0.11 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 2wub s THR 20 CO 0.29 -0.20 0.61 -0.63 -0.69 0.00 0.00 174.62 174.00 2wub s ILE 21 N 2.59 4.84 0.14 1.82 1.01 -0.58 -4.92 121.20 126.10 2wub s ILE 21 Ca 0.11 0.65 0.10 0.00 0.00 0.00 0.00 60.65 61.52 2wub s ILE 21 Cb -0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2wub s ILE 21 CO -0.25 -0.08 -0.21 0.42 0.00 0.00 0.00 174.94 174.82 2wub s THR 22 N -1.84 2.61 -0.05 2.92 -4.23 -0.79 -1.40 115.64 112.86 2wub s THR 22 Ca 0.49 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2wub s THR 22 Cb -0.11 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.55 2wub s THR 22 CO 0.20 0.03 0.04 0.00 -0.54 0.00 0.00 174.62 174.35 2wub s ARG 24 N 2.09 3.12 -0.06 0.00 6.06 0.52 0.09 118.95 130.76 2wub s ARG 24 Ca 0.05 -0.44 0.05 0.00 -2.50 0.00 0.00 55.73 52.89 2wub s ARG 24 Cb -0.12 -2.90 -0.01 0.00 0.06 0.00 0.00 34.95 31.98 2wub s ARG 24 CO -0.04 0.66 -0.23 0.00 -2.50 0.00 0.00 175.30 173.19 2wub s ALA 25 N -1.18 2.24 -1.66 6.12 0.00 0.94 -1.03 121.76 127.19 2wub s ALA 25 Ca 0.22 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 51.25 2wub s ALA 25 Cb -0.12 -0.75 0.53 0.00 0.00 0.00 0.00 23.12 22.78 2wub s ALA 25 CO 0.13 0.41 1.12 -1.13 0.00 0.00 0.00 175.76 176.29 2wub n SER 26 N 2.97 0.00 -3.47 0.00 3.41 -0.10 -4.72 113.62 111.70 2wub n SER 26 Ca -0.18 -0.04 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 2wub n SER 26 Cb 0.52 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 2wub n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2wub s GLN 27 N -2.34 1.14 -0.02 4.33 0.74 -1.26 -4.89 119.66 117.36 2wub s GLN 27 Ca 0.11 -0.16 -0.33 0.00 0.05 0.00 0.00 55.36 55.04 2wub s GLN 27 Cb 0.07 0.53 -0.11 0.00 1.10 0.00 0.00 33.01 34.59 2wub s GLN 27 CO 0.13 -0.44 1.88 -3.47 -0.55 0.00 0.00 175.29 172.84 2wub n ASP 28 N 0.16 3.67 -0.06 6.67 -0.08 -1.26 -4.72 116.55 120.92 2wub n ASP 28 Ca -0.17 0.96 0.08 0.00 -1.51 0.00 0.00 54.79 54.15 2wub n ASP 28 Cb 0.61 -1.43 0.11 0.00 2.34 0.00 0.00 41.12 42.75 2wub n ASP 28 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2wub n VAL 29 N 5.09 1.68 0.00 5.18 0.24 -0.08 -5.01 118.33 125.43 2wub n VAL 29 Ca 0.21 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.54 2wub n VAL 29 Cb 0.33 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 2wub n VAL 29 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2wub n SER 30 N -1.22 0.00 -2.19 -1.34 2.88 -1.25 -1.44 113.62 109.06 2wub n SER 30 Ca 0.12 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.62 2wub n SER 30 Cb 0.56 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.07 2wub n SER 30 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wub n THR 31 N 0.00 1.44 -2.73 2.46 -2.24 -1.26 0.41 114.28 112.36 2wub n THR 31 Ca 0.00 -2.93 -0.41 0.00 -2.27 0.00 0.00 64.05 58.44 2wub n THR 31 Cb 0.00 0.51 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 2wub n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wub n ALA 32 N -0.48 5.87 -2.64 6.98 0.00 -0.52 -2.64 120.51 127.08 2wub n ALA 32 Ca 0.17 -4.66 -0.28 0.00 0.00 0.00 0.00 53.44 48.67 2wub n ALA 32 Cb 0.89 -2.22 -0.16 0.00 0.00 0.00 0.00 19.45 17.96 2wub n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wub s VAL 33 N -3.98 1.69 0.04 0.00 1.01 -1.26 -0.40 120.40 117.49 2wub s VAL 33 Ca 0.37 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2wub s VAL 33 Cb 0.16 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2wub s VAL 33 CO -0.07 0.48 -0.17 0.00 0.00 0.00 0.00 175.10 175.33 2wub s ALA 34 N -0.25 1.44 -0.08 5.51 0.00 0.52 0.11 121.76 129.02 2wub s ALA 34 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2wub s ALA 34 Cb -0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2wub s ALA 34 CO 0.01 0.30 -0.06 -1.58 0.00 0.00 0.00 175.76 174.44 2wub s TRP 35 N -0.82 2.97 0.13 0.00 0.52 -0.06 -0.52 118.94 121.16 2wub s TRP 35 Ca 0.04 0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.25 2wub s TRP 35 Cb -0.08 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2wub s TRP 35 CO 0.02 0.31 -0.19 0.71 0.02 0.00 0.00 176.95 177.81 2wub s TYR 36 N -0.69 1.77 -0.08 -1.98 1.51 0.20 -1.21 117.35 116.88 2wub s TYR 36 Ca 0.11 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2wub s TYR 36 Cb -0.11 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.81 2wub s TYR 36 CO 0.02 0.26 -0.23 -1.14 -1.11 0.00 0.00 175.55 173.35 2wub s GLN 37 N -2.36 2.68 -0.01 -0.62 0.74 -0.04 -0.57 119.66 119.49 2wub s GLN 37 Ca 0.11 -0.83 0.01 0.00 0.05 0.00 0.00 55.36 54.70 2wub s GLN 37 Cb -0.08 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 31.91 2wub s GLN 37 CO 0.05 0.23 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.87 2wub s GLN 38 N 0.19 0.21 0.01 1.67 0.74 0.17 -0.49 119.66 122.15 2wub s GLN 38 Ca -0.13 -0.05 0.06 0.00 0.05 0.00 0.00 55.36 55.30 2wub s GLN 38 Cb -0.16 -0.24 -0.03 0.00 1.10 0.00 0.00 33.01 33.68 2wub s GLN 38 CO 0.06 0.01 -0.18 0.15 -0.55 0.00 0.00 175.29 174.79 2wub s LYS 39 N 0.17 2.19 -0.50 1.67 1.02 -1.26 -1.24 119.74 121.80 2wub s LYS 39 Ca -0.01 -0.90 -0.46 0.00 0.02 0.00 0.00 55.97 54.62 2wub s LYS 39 Cb -0.04 -2.23 -0.20 0.00 -0.52 0.00 0.00 37.83 34.85 2wub s LYS 39 CO -0.00 0.56 1.77 -0.35 -0.92 0.00 0.00 175.35 176.41 2wub n PRO 40 N 1.82 0.02 -0.72 -1.68 -0.04 -1.26 -0.70 135.00 132.45 2wub n PRO 40 Ca -0.16 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2wub n PRO 40 Cb 0.52 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2wub n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wub n GLY 41 N 5.06 0.72 3.53 0.55 0.00 -1.26 -5.03 105.19 108.76 2wub n GLY 41 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 2wub n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wub s LYS 42 N -0.28 1.80 0.15 1.61 -0.14 0.12 -5.14 119.74 117.86 2wub s LYS 42 Ca 0.00 -1.99 -0.21 0.00 -1.36 0.00 0.00 55.97 52.41 2wub s LYS 42 Cb 0.00 -1.32 -0.08 0.00 -1.68 0.00 0.00 37.83 34.75 2wub s LYS 42 CO 0.00 -0.07 0.68 0.00 -0.76 0.00 0.00 175.35 175.20 2wub s ALA 43 N -2.94 3.49 0.76 5.17 0.00 -1.26 -4.55 121.76 122.42 2wub s ALA 43 Ca 0.35 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 2wub s ALA 43 Cb 0.08 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.44 2wub s ALA 43 CO 0.16 0.35 0.99 -2.30 0.00 0.00 0.00 175.76 174.96 2wub n PRO 44 N 1.31 0.37 -4.99 0.00 -0.02 -1.26 -4.74 135.00 125.68 2wub n PRO 44 Ca -0.06 0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.33 2wub n PRO 44 Cb 0.50 -2.25 -0.16 0.00 -0.02 0.00 0.00 33.50 31.57 2wub n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wub s LYS 45 N -3.55 1.97 -0.23 -0.52 1.02 0.35 -4.94 119.74 113.84 2wub s LYS 45 Ca 0.72 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 2wub s LYS 45 Cb -0.32 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2wub s LYS 45 CO 0.52 0.32 1.13 -1.17 -0.92 0.00 0.00 175.35 175.23 2wub s LEU 46 N -0.12 4.08 -0.22 3.17 2.96 -1.26 -0.86 118.68 126.43 2wub s LEU 46 Ca -0.01 1.40 -0.16 0.00 -0.22 0.00 0.00 54.13 55.14 2wub s LEU 46 Cb -0.11 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 2wub s LEU 46 CO 0.02 -0.77 -0.32 0.18 -1.32 0.00 0.00 176.35 174.14 2wub n LEU 47 N 6.61 1.94 -4.21 -0.68 4.77 -0.35 -4.68 117.00 120.39 2wub n LEU 47 Ca 0.13 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 2wub n LEU 47 Cb 0.46 -0.79 -0.11 0.00 -2.33 0.00 0.00 43.42 40.65 2wub n LEU 47 CO 0.55 0.07 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.61 2wub s ILE 48 N -2.69 1.18 0.08 -0.08 -1.09 -1.10 -0.98 121.20 116.51 2wub s ILE 48 Ca -0.32 -1.66 -0.05 0.00 -2.23 0.00 0.00 60.65 56.39 2wub s ILE 48 Cb 0.08 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 2wub s ILE 48 CO 0.45 -0.45 0.10 -0.72 -1.23 0.00 0.00 174.94 173.09 2wub s TYR 49 N -2.17 0.38 -1.46 3.97 1.13 -0.35 -0.89 117.35 117.96 2wub s TYR 49 Ca 0.07 -0.84 -0.08 0.00 -1.41 0.00 0.00 57.07 54.80 2wub s TYR 49 Cb -0.05 -0.23 0.04 0.00 -1.10 0.00 0.00 41.96 40.62 2wub s TYR 49 CO 0.02 -0.49 0.74 0.43 -2.51 0.00 0.00 175.55 173.74 2wub n SER 50 N -0.01 -5.41 0.00 -0.18 7.64 -0.84 -1.63 113.62 113.19 2wub n SER 50 Ca -0.13 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2wub n SER 50 Cb 0.62 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 2wub n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wub n ALA 51 N -3.97 0.00 -2.79 -0.43 0.00 0.31 -4.46 120.51 109.16 2wub n ALA 51 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2wub n ALA 51 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 2wub n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wub n SER 52 N 2.58 1.16 -4.01 0.00 3.41 -1.19 -3.31 113.62 112.26 2wub n SER 52 Ca 0.00 -2.16 -0.31 0.00 -0.26 0.00 0.00 58.87 56.14 2wub n SER 52 Cb 0.00 -0.33 -0.16 0.00 -0.26 0.00 0.00 64.21 63.46 2wub n SER 52 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wub s PHE 53 N -3.21 2.60 0.20 7.33 0.08 -0.65 -4.81 117.98 119.53 2wub s PHE 53 Ca 0.25 -1.76 -0.30 0.00 0.12 0.00 0.00 56.93 55.24 2wub s PHE 53 Cb 0.36 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 41.01 2wub s PHE 53 CO -0.04 -0.78 1.35 -0.51 -0.10 0.00 0.00 175.22 175.14 2wub s LEU 54 N 1.33 4.40 0.71 -0.37 1.02 -1.26 -1.21 118.68 123.31 2wub s LEU 54 Ca -0.03 2.45 -0.11 0.00 0.02 0.00 0.00 54.13 56.46 2wub s LEU 54 Cb -0.17 -3.61 0.02 0.00 0.02 0.00 0.00 46.19 42.45 2wub s LEU 54 CO -0.08 -0.58 1.09 -0.47 0.02 0.00 0.00 176.35 176.33 2wub s TYR 55 N 0.19 3.24 -0.24 0.29 5.04 -0.15 -4.93 117.35 120.80 2wub s TYR 55 Ca 0.58 1.13 -0.37 0.00 -2.44 0.00 0.00 57.07 55.96 2wub s TYR 55 Cb -0.38 -3.02 -0.14 0.00 0.35 0.00 0.00 41.96 38.77 2wub s TYR 55 CO 0.38 -1.25 1.88 0.45 -1.34 0.00 0.00 175.55 175.67 2wub n SER 56 N -3.07 2.67 0.00 4.32 2.88 -1.26 -2.17 113.62 116.98 2wub n SER 56 Ca 0.07 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2wub n SER 56 Cb 0.56 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2wub n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wub n GLY 57 N 4.75 0.77 3.73 0.46 0.00 -1.26 -5.06 105.19 108.57 2wub n GLY 57 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2wub n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wub s VAL 58 N -2.26 5.07 0.37 1.61 1.01 -0.92 -5.02 120.40 120.25 2wub s VAL 58 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 2wub s VAL 58 Cb 0.00 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2wub s VAL 58 CO 0.00 0.31 1.36 -2.16 0.00 0.00 0.00 175.10 174.62 2wub s PRO 59 N 0.53 4.13 0.00 2.72 0.04 -1.26 -4.86 135.00 136.30 2wub s PRO 59 Ca 0.32 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2wub s PRO 59 Cb -0.17 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2wub s PRO 59 CO 0.15 -0.42 0.66 -1.13 0.04 0.00 0.00 177.00 176.31 2wub n SER 60 N 0.44 0.00 0.01 6.66 3.41 -1.26 -1.39 113.62 121.49 2wub n SER 60 Ca 0.02 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 2wub n SER 60 Cb 0.42 -0.18 0.47 0.00 -0.26 0.00 0.00 64.21 64.66 2wub n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wub n ARG 61 N -1.16 0.01 -3.62 4.33 1.85 -1.26 -4.57 116.66 112.24 2wub n ARG 61 Ca 0.00 0.13 -0.37 0.00 -1.00 0.00 0.00 57.85 56.61 2wub n ARG 61 Cb 0.01 -1.52 -0.10 0.00 -1.05 0.00 0.00 32.46 29.80 2wub n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2wub s PHE 62 N -3.01 3.30 0.01 2.89 0.08 -0.49 -1.54 117.98 119.22 2wub s PHE 62 Ca 0.11 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 2wub s PHE 62 Cb 0.14 -2.32 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2wub s PHE 62 CO 0.41 0.01 0.07 -1.54 -0.10 0.00 0.00 175.22 174.07 2wub s SER 63 N 1.20 0.10 0.16 1.36 1.04 -0.63 -4.92 113.70 112.00 2wub s SER 63 Ca 0.09 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.23 2wub s SER 63 Cb -0.14 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2wub s SER 63 CO 0.06 -0.32 0.01 -0.83 0.98 0.00 0.00 173.24 173.14 2wub s GLY 64 N -1.31 1.14 0.21 7.32 0.00 -1.26 0.34 107.32 113.76 2wub s GLY 64 Ca -0.14 -1.55 -0.08 0.00 0.00 0.00 0.00 44.72 42.95 2wub s GLY 64 CO 0.00 -1.49 0.42 -1.14 0.00 0.00 0.00 173.10 170.89 2wub n SER 65 N -0.20 -1.22 0.00 1.64 3.41 0.30 -4.43 113.62 113.12 2wub n SER 65 Ca -0.07 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2wub n SER 65 Cb 0.63 2.03 0.00 0.00 -0.26 0.00 0.00 64.21 66.61 2wub n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wub n GLY 66 N -0.29 2.83 3.65 5.00 0.00 -1.26 -1.11 105.19 114.01 2wub n GLY 66 Ca -0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 2wub n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wub s SER 67 N 0.00 -0.15 0.00 1.61 0.15 -1.16 -4.89 113.70 109.25 2wub s SER 67 Ca 0.00 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2wub s SER 67 Cb 0.00 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2wub s SER 67 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2wub n GLY 68 N 2.58 0.55 0.00 9.45 0.00 0.16 -4.16 105.19 113.77 2wub n GLY 68 Ca -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2wub n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wub n THR 69 N 0.00 0.00 -3.79 2.61 -2.24 -1.26 -0.90 114.28 108.70 2wub n THR 69 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 2wub n THR 69 Cb 0.00 1.46 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 2wub n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wub s ASP 70 N 0.00 2.61 0.26 3.42 1.01 -1.26 -0.04 116.67 122.67 2wub s ASP 70 Ca 0.00 -0.62 0.08 0.00 0.71 0.00 0.00 52.55 52.72 2wub s ASP 70 Cb 0.00 -0.66 -0.05 0.00 1.01 0.00 0.00 42.92 43.22 2wub s ASP 70 CO 0.00 -0.25 -0.11 -0.36 0.21 0.00 0.00 175.17 174.66 2wub s PHE 71 N 1.81 1.93 -0.06 4.23 0.40 0.11 -3.01 117.98 123.40 2wub s PHE 71 Ca 0.01 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.66 2wub s PHE 71 Cb -0.16 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.40 2wub s PHE 71 CO -0.07 0.39 0.23 0.95 0.70 0.00 0.00 175.22 177.42 2wub s THR 72 N -2.91 0.03 -0.10 0.64 -4.23 -0.26 -0.68 115.64 108.13 2wub s THR 72 Ca 0.27 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2wub s THR 72 Cb 0.01 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 2wub s THR 72 CO 0.11 -0.12 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.75 2wub s LEU 73 N -0.41 2.96 0.07 4.79 2.96 -0.49 -0.54 118.68 128.01 2wub s LEU 73 Ca -0.05 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 2wub s LEU 73 Cb -0.03 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2wub s LEU 73 CO 0.01 0.27 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.24 2wub s THR 74 N -0.24 1.40 -0.28 3.68 2.01 0.15 -1.53 115.64 120.83 2wub s THR 74 Ca 0.02 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.76 2wub s THR 74 Cb -0.13 -1.27 0.08 0.00 0.01 0.00 0.00 72.50 71.19 2wub s THR 74 CO 0.03 -0.03 0.04 -0.63 -0.69 0.00 0.00 174.62 173.34 2wub s ILE 75 N -1.03 1.22 0.04 1.82 1.01 -0.57 -1.61 121.20 122.09 2wub s ILE 75 Ca 0.03 -1.37 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 2wub s ILE 75 Cb -0.09 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 2wub s ILE 75 CO 0.02 -0.44 1.21 0.77 0.00 0.00 0.00 174.94 176.51 2wub h SER 76 N 8.00 -0.63 -3.65 3.58 4.64 -1.57 -2.71 113.55 121.21 2wub h SER 76 Ca -0.14 0.07 -0.68 0.00 -0.47 0.00 0.00 61.79 60.57 2wub h SER 76 Cb 1.05 0.24 -0.36 0.00 -0.31 0.00 0.00 62.40 63.01 2wub h SER 76 CO 0.44 -0.21 -0.66 -0.55 -0.87 0.00 0.00 176.83 174.98 2wub s SER 77 N -3.34 4.95 0.20 4.97 0.15 -1.26 -3.76 113.70 115.62 2wub s SER 77 Ca -0.06 -1.85 -0.32 0.00 0.70 0.00 0.00 55.95 54.41 2wub s SER 77 Cb 0.02 -1.71 -0.13 0.00 -1.71 0.00 0.00 66.02 62.49 2wub s SER 77 CO 0.24 -0.40 1.62 -0.11 1.20 0.00 0.00 173.24 175.79 2wub n LEU 78 N 4.47 3.62 -4.87 3.45 7.94 0.13 -4.68 117.00 127.06 2wub n LEU 78 Ca -0.04 1.09 -0.21 0.00 -1.11 0.00 0.00 56.01 55.74 2wub n LEU 78 Cb 0.42 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.83 2wub n LEU 78 CO 0.27 -0.06 -0.01 -1.10 -1.11 0.00 0.00 177.39 175.38 2wub s GLN 79 N 0.71 2.49 0.28 1.96 -1.52 -1.26 0.17 119.66 122.49 2wub s GLN 79 Ca 0.74 -1.58 0.05 0.00 -1.95 0.00 0.00 55.36 52.62 2wub s GLN 79 Cb -0.58 -2.34 0.41 0.00 -0.22 0.00 0.00 33.01 30.28 2wub s GLN 79 CO 0.38 -0.22 1.68 -1.00 -0.25 0.00 0.00 175.29 175.89 2wub h PRO 80 N 1.03 0.30 -0.00 2.91 0.13 -1.99 -2.85 132.00 131.52 2wub h PRO 80 Ca -0.41 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2wub h PRO 80 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2wub h PRO 80 CO 0.58 0.66 -0.03 -0.85 -0.23 0.00 0.00 178.00 178.13 2wub n GLU 81 N -4.03 0.75 0.00 0.86 0.00 -1.26 -3.63 120.64 113.34 2wub n GLU 81 Ca -0.01 -0.11 0.13 0.00 0.00 0.00 0.00 57.16 57.17 2wub n GLU 81 Cb 0.48 -1.50 0.43 0.00 0.00 0.00 0.00 31.44 30.86 2wub n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wub n ASP 82 N -1.03 0.79 -4.60 -1.84 8.00 -1.08 -4.80 116.55 112.00 2wub n ASP 82 Ca 0.18 -0.70 -0.43 0.00 0.71 0.00 0.00 54.79 54.55 2wub n ASP 82 Cb 0.21 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 2wub n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wub s PHE 83 N -2.56 2.57 0.00 1.24 0.08 -1.24 -4.86 117.98 113.21 2wub s PHE 83 Ca 0.24 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.95 2wub s PHE 83 Cb 0.19 -4.39 0.00 0.00 -0.57 0.00 0.00 43.02 38.26 2wub s PHE 83 CO 0.53 -1.67 0.00 0.00 -0.10 0.00 0.00 175.22 173.97 2wub n ALA 84 N 8.47 0.00 -2.71 5.36 0.00 -1.17 -4.98 120.51 125.48 2wub n ALA 84 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 2wub n ALA 84 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 2wub n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wub s THR 85 N -2.37 4.33 -0.15 0.00 2.01 -0.37 -0.97 115.64 118.12 2wub s THR 85 Ca 0.00 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.79 2wub s THR 85 Cb 0.00 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.69 2wub s THR 85 CO 0.00 0.59 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.00 2wub s TYR 86 N -0.74 2.70 0.03 4.92 1.51 -0.37 0.41 117.35 125.81 2wub s TYR 86 Ca 0.12 -1.42 0.04 0.00 -1.01 0.00 0.00 57.07 54.79 2wub s TYR 86 Cb -0.12 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 2wub s TYR 86 CO 0.02 -0.66 -0.04 0.71 -1.11 0.00 0.00 175.55 174.47 2wub s TYR 87 N 0.93 2.94 0.14 2.71 2.02 0.26 -1.65 117.35 124.70 2wub s TYR 87 Ca -0.04 -0.02 0.09 0.00 -0.37 0.00 0.00 57.07 56.73 2wub s TYR 87 Cb -0.15 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2wub s TYR 87 CO -0.05 0.42 -0.18 0.00 -1.57 0.00 0.00 175.55 174.17 2wub s GLN 89 N -2.31 0.36 -0.05 0.00 -0.44 0.32 0.17 119.66 117.72 2wub s GLN 89 Ca 0.19 0.08 -0.02 0.00 -2.50 0.00 0.00 55.36 53.11 2wub s GLN 89 Cb -0.10 0.17 -0.04 0.00 -1.64 0.00 0.00 33.01 31.40 2wub s GLN 89 CO 0.11 -0.07 0.06 1.14 0.50 0.00 0.00 175.29 177.03 2wub s GLN 90 N -0.41 3.08 -0.28 1.67 1.03 -0.88 -0.35 119.66 123.51 2wub s GLN 90 Ca -0.05 -0.42 0.14 0.00 0.04 0.00 0.00 55.36 55.07 2wub s GLN 90 Cb -0.03 -2.88 0.48 0.00 0.03 0.00 0.00 33.01 30.61 2wub s GLN 90 CO 0.01 0.68 1.15 0.43 -2.54 0.00 0.00 175.29 175.02 2wub n SER 91 N 1.59 3.48 -0.07 12.60 7.64 0.46 -3.49 113.62 135.84 2wub n SER 91 Ca -0.16 -3.02 -0.04 0.00 1.01 0.00 0.00 58.87 56.66 2wub n SER 91 Cb 0.53 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 63.20 2wub n SER 91 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2wub n ASN 92 N -0.64 0.90 -3.55 6.43 5.15 -1.26 -4.89 115.26 117.39 2wub n ASN 92 Ca 0.28 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.17 2wub n ASN 92 Cb 0.89 1.11 -0.09 0.00 -0.53 0.00 0.00 39.78 41.16 2wub n ASN 92 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2wub s ARG 93 N -2.59 0.32 0.32 1.20 3.52 -1.26 -5.11 118.95 115.35 2wub s ARG 93 Ca -0.08 0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 56.10 2wub s ARG 93 Cb 0.06 0.07 -0.13 0.00 -1.56 0.00 0.00 34.95 33.39 2wub s ARG 93 CO 0.70 -0.38 1.32 0.00 -0.81 0.00 0.00 175.30 176.12 2wub n ALA 94 N 5.38 1.25 -1.90 6.12 0.00 -1.26 -4.35 120.51 125.75 2wub n ALA 94 Ca -0.07 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 2wub n ALA 94 Cb 0.50 -2.26 0.03 0.00 0.00 0.00 0.00 19.45 17.71 2wub n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wub s PRO 95 N -1.50 3.23 0.12 0.00 0.04 -1.26 -4.90 135.00 130.73 2wub s PRO 95 Ca 0.59 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 2wub s PRO 95 Cb -0.59 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 2wub s PRO 95 CO 0.59 -0.77 1.09 0.00 0.04 0.00 0.00 177.00 177.95 2wub s ALA 96 N -3.23 3.33 0.11 8.56 0.00 -1.26 -4.76 121.76 124.51 2wub s ALA 96 Ca 0.56 0.76 0.09 0.00 0.00 0.00 0.00 51.96 53.36 2wub s ALA 96 Cb -0.11 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2wub s ALA 96 CO 0.52 -0.24 -0.22 0.95 0.00 0.00 0.00 175.76 176.78 2wub s THR 97 N 0.23 1.80 0.23 0.00 -4.23 -1.23 -5.01 115.64 107.44 2wub s THR 97 Ca 0.51 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 2wub s THR 97 Cb -0.28 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2wub s THR 97 CO 0.32 -0.04 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.97 2wub s PHE 98 N -1.16 2.70 0.52 3.99 0.40 -1.26 -2.08 117.98 121.08 2wub s PHE 98 Ca 0.08 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2wub s PHE 98 Cb -0.10 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.19 2wub s PHE 98 CO 0.05 0.58 0.78 0.20 0.70 0.00 0.00 175.22 177.52 2wub s GLY 99 N -3.34 1.59 0.00 4.36 0.00 0.13 -4.47 107.32 105.59 2wub s GLY 99 Ca 0.29 -0.91 0.16 0.00 0.00 0.00 0.00 44.72 44.26 2wub s GLY 99 CO 0.18 -0.68 1.36 -1.06 0.00 0.00 0.00 173.10 172.90 2wub n GLN 100 N -2.31 0.58 -0.17 2.90 1.13 -1.26 -4.58 117.38 113.67 2wub n GLN 100 Ca 0.03 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.11 2wub n GLN 100 Cb 0.58 -1.43 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 2wub n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wub n GLY 101 N 0.14 -1.88 2.81 1.08 0.00 -1.26 -5.00 105.19 101.08 2wub n GLY 101 Ca 0.12 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 2wub n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wub s THR 102 N -1.94 0.10 -0.27 2.61 2.01 -0.66 -4.66 115.64 112.83 2wub s THR 102 Ca 0.00 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 2wub s THR 102 Cb 0.00 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2wub s THR 102 CO 0.00 0.12 0.30 -0.75 -0.69 0.00 0.00 174.62 173.59 2wub s LYS 103 N 0.93 4.00 -0.51 4.92 2.20 -0.86 -1.23 119.74 129.18 2wub s LYS 103 Ca -0.09 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.26 2wub s LYS 103 Cb -0.12 -3.65 0.10 0.00 -1.51 0.00 0.00 37.83 32.65 2wub s LYS 103 CO -0.02 -0.22 0.48 0.08 -0.36 0.00 0.00 175.35 175.31 2wub s VAL 104 N 1.89 5.17 0.10 4.02 1.01 -0.15 -0.98 120.40 131.46 2wub s VAL 104 Ca 0.12 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2wub s VAL 104 Cb -0.16 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2wub s VAL 104 CO 0.10 -0.76 0.16 -1.61 0.00 0.00 0.00 175.10 172.98 2wub s GLU 105 N 1.77 3.12 0.27 2.72 2.02 0.41 -3.03 118.70 125.98 2wub s GLU 105 Ca 0.05 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 2wub s GLU 105 Cb -0.26 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 2wub s GLU 105 CO 0.05 0.56 1.24 0.42 0.02 0.00 0.00 175.26 177.55 2wub s ILE 106 N -1.54 3.14 -0.20 -1.63 1.01 -1.26 -1.39 121.20 119.32 2wub s ILE 106 Ca 0.32 1.06 -0.10 0.00 0.00 0.00 0.00 60.65 61.93 2wub s ILE 106 Cb -0.12 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2wub s ILE 106 CO 0.25 0.22 0.13 -0.75 0.00 0.00 0.00 174.94 174.78 2wub s LYS 107 N -1.08 4.17 0.20 2.79 2.20 0.91 -4.74 119.74 124.20 2wub s LYS 107 Ca 0.50 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 2wub s LYS 107 Cb -0.36 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2wub s LYS 107 CO 0.44 0.29 0.14 -0.98 -0.36 0.00 0.00 175.35 174.87 2wub s ARG 108 N 0.39 1.20 0.46 4.03 1.70 -1.26 -4.80 118.95 120.68 2wub s ARG 108 Ca 0.08 -1.62 -0.22 0.00 -0.47 0.00 0.00 55.73 53.49 2wub s ARG 108 Cb -0.11 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.46 2wub s ARG 108 CO -0.02 -0.39 1.11 0.95 -1.08 0.00 0.00 175.30 175.87 2wub s THR 109 N -4.16 3.40 0.27 4.99 -4.23 -1.26 -4.95 115.64 109.70 2wub s THR 109 Ca 0.39 0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 61.59 2wub s THR 109 Cb 0.07 -3.47 -0.13 0.00 1.34 0.00 0.00 72.50 70.30 2wub s THR 109 CO 0.12 -0.07 1.30 0.52 -0.54 0.00 0.00 174.62 175.94 2wub n VAL 110 N -0.60 1.38 -4.46 2.29 0.31 -1.26 -4.81 118.33 111.16 2wub n VAL 110 Ca 0.08 -0.34 -0.21 0.00 -0.01 0.00 0.00 64.34 63.85 2wub n VAL 110 Cb 0.50 -1.37 -0.14 0.00 -0.91 0.00 0.00 33.84 31.92 2wub n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wub s ALA 111 N -0.49 1.19 0.08 3.52 0.00 -0.59 -4.93 121.76 120.54 2wub s ALA 111 Ca 0.64 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 2wub s ALA 111 Cb -0.65 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 2wub s ALA 111 CO 0.55 0.25 0.52 0.00 0.00 0.00 0.00 175.76 177.08 2wub s ALA 112 N -0.67 3.62 0.24 0.00 0.00 -1.26 -2.65 121.76 121.03 2wub s ALA 112 Ca 0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 2wub s ALA 112 Cb -0.07 -2.53 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 2wub s ALA 112 CO 0.01 0.44 1.01 -1.25 0.00 0.00 0.00 175.76 175.97 2wub s PRO 113 N -1.38 4.75 -0.78 0.00 0.04 -1.26 -4.66 135.00 131.71 2wub s PRO 113 Ca 0.30 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2wub s PRO 113 Cb -0.17 -3.26 0.15 0.00 0.04 0.00 0.00 34.50 31.26 2wub s PRO 113 CO 0.18 0.36 0.87 -1.12 0.04 0.00 0.00 177.00 177.33 2wub s SER 114 N -0.90 6.51 0.41 6.66 0.01 -1.12 -4.87 113.70 120.40 2wub s SER 114 Ca 0.43 -2.02 -0.25 0.00 1.31 0.00 0.00 55.95 55.42 2wub s SER 114 Cb -0.28 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 2wub s SER 114 CO 0.35 -0.94 1.22 -0.69 0.41 0.00 0.00 173.24 173.59 2wub s VAL 115 N 1.94 2.94 -0.03 3.43 1.01 -1.26 -3.08 120.40 125.35 2wub s VAL 115 Ca 0.21 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 2wub s VAL 115 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2wub s VAL 115 CO -0.04 0.08 0.14 -0.36 0.00 0.00 0.00 175.10 174.92 2wub s PHE 116 N -1.37 -0.07 0.06 5.22 0.08 -0.63 -4.98 117.98 116.28 2wub s PHE 116 Ca 0.58 0.16 0.05 0.00 0.12 0.00 0.00 56.93 57.84 2wub s PHE 116 Cb -0.33 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 2wub s PHE 116 CO 0.42 -0.17 -0.14 -1.50 -0.10 0.00 0.00 175.22 173.73 2wub s ILE 117 N -0.57 1.12 -0.06 0.64 2.07 -1.26 0.67 121.20 123.82 2wub s ILE 117 Ca -0.07 -1.15 0.00 0.00 -1.41 0.00 0.00 60.65 58.02 2wub s ILE 117 Cb -0.04 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.52 2wub s ILE 117 CO 0.01 -0.10 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.54 2wub s PHE 118 N -1.05 0.81 0.88 3.50 0.08 -0.18 -4.99 117.98 117.03 2wub s PHE 118 Ca 0.00 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2wub s PHE 118 Cb -0.09 -0.76 0.12 0.00 -0.57 0.00 0.00 43.02 41.73 2wub s PHE 118 CO 0.02 -0.25 1.18 -1.25 -0.10 0.00 0.00 175.22 174.82 2wub s PRO 119 N 1.24 1.38 0.34 0.24 0.04 -1.26 -2.56 135.00 134.41 2wub s PRO 119 Ca -0.06 0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.79 2wub s PRO 119 Cb -0.14 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2wub s PRO 119 CO -0.02 -2.00 1.31 -2.14 0.04 0.00 0.00 177.00 174.19 2wub s PRO 120 N -5.51 4.32 0.65 0.56 0.02 -1.25 -4.85 135.00 128.94 2wub s PRO 120 Ca 0.65 2.21 -0.12 0.00 0.02 0.00 0.00 61.00 63.76 2wub s PRO 120 Cb -0.11 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 2wub s PRO 120 CO 0.51 -0.22 1.04 -1.54 -0.33 0.00 0.00 177.00 176.47 2wub s SER 121 N -0.51 5.79 0.19 2.53 1.04 -1.26 -4.93 113.70 116.56 2wub s SER 121 Ca 0.50 1.57 -0.05 0.00 0.48 0.00 0.00 55.95 58.45 2wub s SER 121 Cb -0.40 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.35 2wub s SER 121 CO 0.53 -1.16 1.54 0.44 0.98 0.00 0.00 173.24 175.57 2wub h ASP 122 N -0.34 0.75 0.48 7.02 3.32 -1.99 -2.08 116.42 123.58 2wub h ASP 122 Ca -0.44 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.25 2wub h ASP 122 Cb 1.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 2wub h ASP 122 CO 0.59 1.06 -0.10 1.05 -1.72 0.00 0.00 179.24 180.12 2wub h GLU 123 N 0.57 0.00 0.18 3.56 9.09 -2.00 -1.50 114.58 124.49 2wub h GLU 123 Ca 0.05 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.12 2wub h GLU 123 Cb 0.94 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.06 2wub h GLU 123 CO 0.09 0.10 -1.62 0.37 0.05 0.00 0.00 179.01 178.00 2wub h GLN 124 N 0.00 0.39 -0.02 1.06 4.15 -1.84 -3.23 115.11 115.61 2wub h GLN 124 Ca -0.00 -0.66 -0.05 0.00 0.77 0.00 0.00 58.65 58.71 2wub h GLN 124 Cb 0.37 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2wub h GLN 124 CO 0.01 1.29 -0.22 1.25 -1.93 0.00 0.00 178.83 179.24 2wub h LEU 125 N 0.11 0.03 -1.04 -2.39 7.12 -0.96 -0.68 115.31 117.49 2wub h LEU 125 Ca -0.29 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.65 2wub h LEU 125 Cb 2.09 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 42.20 2wub h LEU 125 CO 0.20 0.25 -0.04 0.11 -0.13 0.00 0.00 178.44 178.83 2wub h LYS 126 N 0.03 0.64 0.00 1.25 1.79 -1.35 -1.69 116.57 117.24 2wub h LYS 126 Ca 0.00 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2wub h LYS 126 Cb 0.40 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2wub h LYS 126 CO 0.03 0.69 -0.18 0.77 -1.08 0.00 0.00 179.45 179.67 2wub h SER 127 N 0.60 0.00 0.00 0.86 0.02 -1.15 -3.46 113.55 110.42 2wub h SER 127 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2wub h SER 127 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2wub h SER 127 CO 0.02 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 2wub n GLY 128 N -1.00 1.79 3.22 -3.77 0.00 -0.63 -5.11 105.19 99.68 2wub n GLY 128 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2wub n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wub s THR 129 N -2.00 0.13 -0.07 2.61 -4.23 -1.20 -3.63 115.64 107.25 2wub s THR 129 Ca 0.00 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2wub s THR 129 Cb 0.00 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.56 2wub s THR 129 CO 0.00 -0.61 0.04 0.00 -0.54 0.00 0.00 174.62 173.51 2wub s ALA 130 N -3.84 0.44 -0.17 3.99 0.00 0.46 -3.67 121.76 118.96 2wub s ALA 130 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 2wub s ALA 130 Cb 0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 2wub s ALA 130 CO -0.11 -0.57 -0.12 -1.12 0.00 0.00 0.00 175.76 173.83 2wub s SER 131 N 2.09 3.85 -0.27 0.00 0.01 -1.26 -0.66 113.70 117.46 2wub s SER 131 Ca 0.04 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 2wub s SER 131 Cb -0.13 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2wub s SER 131 CO -0.05 0.06 0.10 -0.69 0.41 0.00 0.00 173.24 173.07 2wub s VAL 132 N 0.99 4.38 0.02 3.43 1.01 -0.43 -3.81 120.40 125.99 2wub s VAL 132 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2wub s VAL 132 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2wub s VAL 132 CO -0.02 0.24 0.09 -0.69 0.00 0.00 0.00 175.10 174.72 2wub s VAL 133 N 1.61 4.76 -0.13 2.92 1.01 -1.06 -0.05 120.40 129.46 2wub s VAL 133 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2wub s VAL 133 Cb -0.16 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2wub s VAL 133 CO 0.04 0.29 0.05 0.00 0.00 0.00 0.00 175.10 175.48 2wub s LEU 135 N 2.05 4.14 -0.32 0.00 0.20 0.21 -1.89 118.68 123.08 2wub s LEU 135 Ca 0.03 0.58 -0.02 0.00 0.69 0.00 0.00 54.13 55.41 2wub s LEU 135 Cb -0.15 -3.37 0.11 0.00 -0.43 0.00 0.00 46.19 42.35 2wub s LEU 135 CO -0.07 -0.11 0.14 -0.76 -0.29 0.00 0.00 176.35 175.26 2wub s LEU 136 N -3.37 1.24 0.29 -0.68 1.02 -0.84 -1.61 118.68 114.73 2wub s LEU 136 Ca 0.42 -1.64 -0.16 0.00 0.02 0.00 0.00 54.13 52.77 2wub s LEU 136 Cb -0.11 -0.55 -0.09 0.00 0.02 0.00 0.00 46.19 45.46 2wub s LEU 136 CO 0.29 -0.40 0.73 0.20 0.02 0.00 0.00 176.35 177.19 2wub s ASN 137 N 1.67 6.86 0.00 2.29 0.02 -1.18 -1.17 114.94 123.42 2wub s ASN 137 Ca 0.11 1.32 0.00 0.00 -1.02 0.00 0.00 52.86 53.27 2wub s ASN 137 Cb -0.18 -2.39 0.00 0.00 0.02 0.00 0.00 41.25 38.70 2wub s ASN 137 CO -0.24 -0.13 0.00 0.59 0.02 0.00 0.00 177.10 177.33 2wub n ASN 138 N -0.04 -2.79 -3.86 -1.22 3.02 -0.40 -2.81 115.26 107.16 2wub n ASN 138 Ca 0.02 0.20 -0.11 0.00 -0.03 0.00 0.00 54.58 54.66 2wub n ASN 138 Cb 0.53 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 38.95 2wub n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2wub s PHE 139 N -0.36 0.05 -0.10 3.10 -0.71 -0.53 -4.34 117.98 115.08 2wub s PHE 139 Ca 0.00 -0.20 -0.10 0.00 -1.04 0.00 0.00 56.93 55.59 2wub s PHE 139 Cb 0.00 -0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2wub s PHE 139 CO 0.00 -0.36 0.28 -0.47 -1.34 0.00 0.00 175.22 173.33 2wub s TYR 140 N -1.97 -0.31 0.10 3.49 5.04 -1.09 -0.67 117.35 121.95 2wub s TYR 140 Ca -0.10 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.26 2wub s TYR 140 Cb -0.04 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.40 2wub s TYR 140 CO -0.01 -0.15 0.11 -0.35 -1.34 0.00 0.00 175.55 173.81 2wub n PRO 141 N 2.91 -0.88 0.04 4.97 -0.04 -1.26 -1.53 135.00 139.21 2wub n PRO 141 Ca -0.13 -0.17 -0.07 0.00 -0.04 0.00 0.00 63.50 63.10 2wub n PRO 141 Cb 0.58 -0.14 0.10 0.00 -0.04 0.00 0.00 33.50 34.00 2wub n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2wub h ARG 142 N 0.00 0.41 -6.26 0.54 2.43 -2.01 -3.45 114.38 106.04 2wub h ARG 142 Ca -0.04 -0.25 -0.62 0.00 -0.81 0.00 0.00 59.98 58.26 2wub h ARG 142 Cb 0.11 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2wub h ARG 142 CO 0.03 0.84 1.09 0.39 -1.51 0.00 0.00 179.97 180.81 2wub n GLU 143 N -3.94 2.11 -3.59 0.20 4.71 -1.26 -4.94 120.64 113.93 2wub n GLU 143 Ca -0.03 0.77 -0.15 0.00 -0.01 0.00 0.00 57.16 57.75 2wub n GLU 143 Cb 0.58 -2.61 -0.07 0.00 -1.01 0.00 0.00 31.44 28.34 2wub n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wub s ALA 144 N 4.07 -1.78 -0.02 0.62 0.00 -1.26 -4.63 121.76 118.76 2wub s ALA 144 Ca 0.93 1.78 0.08 0.00 0.00 0.00 0.00 51.96 54.75 2wub s ALA 144 Cb -0.72 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 2wub s ALA 144 CO 0.53 -0.35 -0.25 0.21 0.00 0.00 0.00 175.76 175.90 2wub s LYS 145 N -0.18 1.97 -0.13 0.00 2.20 -0.96 -5.00 119.74 117.65 2wub s LYS 145 Ca -0.04 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 2wub s LYS 145 Cb -0.03 -1.92 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2wub s LYS 145 CO 0.04 0.53 -0.14 0.08 -0.36 0.00 0.00 175.35 175.50 2wub s VAL 146 N -0.59 1.48 -0.21 4.02 1.01 -1.26 -1.10 120.40 123.75 2wub s VAL 146 Ca 0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2wub s VAL 146 Cb -0.09 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2wub s VAL 146 CO -0.01 0.44 -0.05 -1.58 0.00 0.00 0.00 175.10 173.91 2wub s GLN 147 N 1.33 3.41 0.01 2.72 2.00 0.85 -4.96 119.66 125.01 2wub s GLN 147 Ca 0.01 -0.62 -0.22 0.00 -2.00 0.00 0.00 55.36 52.53 2wub s GLN 147 Cb -0.14 -2.98 -0.05 0.00 0.80 0.00 0.00 33.01 30.65 2wub s GLN 147 CO -0.07 -0.12 0.65 -1.58 -0.50 0.00 0.00 175.29 173.67 2wub s TRP 148 N 1.28 3.69 -0.07 1.67 0.52 -1.26 -0.60 118.94 124.16 2wub s TRP 148 Ca 0.03 1.28 0.02 0.00 0.02 0.00 0.00 56.10 57.45 2wub s TRP 148 Cb -0.14 -2.68 0.02 0.00 -1.15 0.00 0.00 33.47 29.51 2wub s TRP 148 CO -0.02 0.31 -0.10 0.15 0.02 0.00 0.00 176.95 177.31 2wub s LYS 149 N -0.09 1.58 -0.28 4.98 1.02 0.09 -1.94 119.74 125.10 2wub s LYS 149 Ca 0.34 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.01 2wub s LYS 149 Cb -0.19 -1.40 0.07 0.00 -0.52 0.00 0.00 37.83 35.80 2wub s LYS 149 CO 0.19 -0.05 -0.05 0.08 -0.92 0.00 0.00 175.35 174.60 2wub s VAL 150 N 0.93 2.09 -1.43 3.17 1.01 -0.89 0.73 120.40 126.01 2wub s VAL 150 Ca -0.10 -1.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.04 2wub s VAL 150 Cb -0.15 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2wub s VAL 150 CO 0.01 -0.24 0.60 0.47 0.00 0.00 0.00 175.10 175.93 2wub n ASP 151 N 4.42 -5.82 -1.71 3.32 8.00 0.17 -1.95 116.55 122.96 2wub n ASP 151 Ca -0.08 -0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.03 2wub n ASP 151 Cb 0.42 -4.63 0.02 0.00 -0.02 0.00 0.00 41.12 36.91 2wub n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2wub n ASN 152 N -2.21 -3.95 -4.12 -2.24 4.05 -1.26 -5.03 115.26 100.50 2wub n ASN 152 Ca -0.10 -0.16 -0.32 0.00 0.45 0.00 0.00 54.58 54.45 2wub n ASN 152 Cb 0.61 -2.82 -0.16 0.00 1.23 0.00 0.00 39.78 38.63 2wub n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wub s ALA 153 N -2.89 2.14 -0.06 5.20 0.00 -0.82 -5.09 121.76 120.24 2wub s ALA 153 Ca 0.17 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 2wub s ALA 153 Cb -0.07 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 2wub s ALA 153 CO 0.21 -0.19 1.81 -0.51 0.00 0.00 0.00 175.76 177.08 2wub s LEU 154 N 1.09 4.23 0.09 0.00 2.01 -1.26 -2.09 118.68 122.75 2wub s LEU 154 Ca -0.01 2.28 -0.00 0.00 0.01 0.00 0.00 54.13 56.41 2wub s LEU 154 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 46.19 42.49 2wub s LEU 154 CO -0.07 -1.11 0.25 -1.10 1.01 0.00 0.00 176.35 175.33 2wub s GLN 155 N 4.48 3.46 -0.14 1.70 -1.52 -0.82 -5.00 119.66 121.82 2wub s GLN 155 Ca 0.81 -0.42 -0.29 0.00 -1.95 0.00 0.00 55.36 53.51 2wub s GLN 155 Cb -0.36 -3.00 0.10 0.00 -0.22 0.00 0.00 33.01 29.54 2wub s GLN 155 CO 0.34 0.57 0.85 -1.54 -0.25 0.00 0.00 175.29 175.27 2wub s SER 156 N -2.63 -0.53 -0.84 5.90 1.04 -1.26 -4.58 113.70 110.79 2wub s SER 156 Ca 0.36 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 2wub s SER 156 Cb -0.13 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.57 2wub s SER 156 CO 0.28 -0.41 0.69 0.61 0.98 0.00 0.00 173.24 175.38 2wub n GLY 157 N 1.16 0.03 0.00 7.32 0.00 -1.26 -4.86 105.19 107.58 2wub n GLY 157 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2wub n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wub n ASN 158 N -1.21 0.00 -4.63 1.61 6.94 -1.26 -5.13 115.26 111.58 2wub n ASN 158 Ca -0.00 -0.42 -0.24 0.00 -0.02 0.00 0.00 54.58 53.90 2wub n ASN 158 Cb 0.54 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.88 2wub n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2wub s SER 159 N 0.00 4.26 0.02 0.53 1.04 -1.26 -1.85 113.70 116.44 2wub s SER 159 Ca 0.00 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.56 2wub s SER 159 Cb 0.00 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.49 2wub s SER 159 CO 0.00 -0.14 -0.04 -1.10 0.98 0.00 0.00 173.24 172.94 2wub s GLN 160 N -3.69 0.29 0.31 4.02 -0.21 -0.72 -4.94 119.66 114.72 2wub s GLN 160 Ca 0.34 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.38 2wub s GLN 160 Cb -0.03 -0.07 -0.05 0.00 1.00 0.00 0.00 33.01 33.86 2wub s GLN 160 CO 0.19 0.01 0.03 -1.21 -2.12 0.00 0.00 175.29 172.19 2wub s GLU 161 N -0.92 2.20 -0.23 2.91 2.02 -1.26 -1.03 118.70 122.39 2wub s GLU 161 Ca -0.08 -1.60 -0.12 0.00 0.02 0.00 0.00 54.97 53.19 2wub s GLU 161 Cb -0.06 -2.06 0.07 0.00 0.10 0.00 0.00 34.13 32.18 2wub s GLU 161 CO -0.00 0.21 0.55 0.45 0.02 0.00 0.00 175.26 176.48 2wub s SER 162 N -3.73 -0.73 0.16 -0.19 0.15 -0.08 -4.96 113.70 104.33 2wub s SER 162 Ca 0.34 1.21 0.11 0.00 0.70 0.00 0.00 55.95 58.31 2wub s SER 162 Cb -0.03 1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 65.38 2wub s SER 162 CO 0.20 -0.22 -0.23 -0.69 1.20 0.00 0.00 173.24 173.50 2wub s VAL 163 N 1.63 2.45 0.63 4.45 1.01 -1.26 -0.47 120.40 128.84 2wub s VAL 163 Ca -0.09 -1.84 0.04 0.00 0.00 0.00 0.00 61.98 60.08 2wub s VAL 163 Cb -0.07 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.26 2wub s VAL 163 CO -0.16 -0.02 0.87 0.42 0.00 0.00 0.00 175.10 176.21 2wub s THR 164 N -1.40 2.24 0.23 3.92 -4.23 -0.71 -5.02 115.64 110.66 2wub s THR 164 Ca 0.18 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2wub s THR 164 Cb -0.09 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 2wub s THR 164 CO 0.09 0.00 0.48 -1.61 -0.54 0.00 0.00 174.62 173.04 2wub s GLU 165 N -4.88 3.65 -0.46 3.99 0.41 -1.26 -4.72 118.70 115.43 2wub s GLU 165 Ca 0.63 -0.01 -0.42 0.00 -0.41 0.00 0.00 54.97 54.76 2wub s GLU 165 Cb -0.06 -2.73 -0.18 0.00 -1.78 0.00 0.00 34.13 29.38 2wub s GLU 165 CO 0.41 0.33 1.75 0.94 -0.49 0.00 0.00 175.26 178.20 2wub n GLN 166 N -0.45 0.00 -1.43 1.61 7.27 -1.26 -4.79 117.38 118.33 2wub n GLN 166 Ca -0.02 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.66 2wub n GLN 166 Cb 0.53 -1.39 0.03 0.00 2.41 0.00 0.00 30.24 31.82 2wub n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2wub n ASP 167 N 5.47 -1.46 0.19 1.69 2.03 -0.07 -4.81 116.55 119.58 2wub n ASP 167 Ca 0.41 0.76 0.14 0.00 0.52 0.00 0.00 54.79 56.62 2wub n ASP 167 Cb -0.05 -1.10 0.56 0.00 -0.72 0.00 0.00 41.12 39.81 2wub n ASP 167 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2wub h SER 168 N 0.32 0.00 0.00 1.67 4.64 -1.91 -2.88 113.55 115.40 2wub h SER 168 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wub h SER 168 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2wub h SER 168 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 2wub n LYS 169 N -2.58 0.00 0.02 4.77 4.01 -1.26 -4.76 118.16 118.36 2wub n LYS 169 Ca 0.02 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.85 2wub n LYS 169 Cb 0.27 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 34.96 2wub n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2wub n ASP 170 N 0.00 0.08 -1.44 4.39 5.68 -1.26 -4.82 116.55 119.18 2wub n ASP 170 Ca 0.00 0.53 -0.15 0.00 -0.50 0.00 0.00 54.79 54.67 2wub n ASP 170 Cb 0.00 -0.54 -0.04 0.00 -1.14 0.00 0.00 41.12 39.40 2wub n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2wub n SER 171 N -1.60 -4.73 -5.01 -1.12 7.64 -1.09 -4.94 113.62 102.78 2wub n SER 171 Ca 0.01 0.19 -0.19 0.00 1.01 0.00 0.00 58.87 59.90 2wub n SER 171 Cb 0.07 -3.71 0.03 0.00 -1.01 0.00 0.00 64.21 59.60 2wub n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2wub s THR 172 N -2.66 2.53 0.08 0.44 -4.23 -1.26 -4.39 115.64 106.15 2wub s THR 172 Ca 0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2wub s THR 172 Cb 0.00 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.29 2wub s THR 172 CO 0.00 0.00 0.08 -1.22 -0.54 0.00 0.00 174.62 172.94 2wub n TYR 173 N -2.03 -1.94 -3.64 3.99 4.01 0.16 -0.89 117.16 116.81 2wub n TYR 173 Ca 0.11 -0.31 -0.07 0.00 -0.16 0.00 0.00 57.90 57.47 2wub n TYR 173 Cb 0.60 -0.07 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 2wub n TYR 173 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2wub s SER 174 N -1.46 -0.59 0.29 7.72 0.01 -1.26 -1.27 113.70 117.13 2wub s SER 174 Ca 0.06 1.04 0.11 0.00 1.31 0.00 0.00 55.95 58.46 2wub s SER 174 Cb -0.00 1.15 -0.05 0.00 0.21 0.00 0.00 66.02 67.33 2wub s SER 174 CO 0.04 -0.17 -0.09 -0.22 0.41 0.00 0.00 173.24 173.21 2wub s LEU 175 N 0.85 2.89 -0.06 2.44 0.20 -0.32 -1.74 118.68 122.95 2wub s LEU 175 Ca -0.03 -0.88 -0.02 0.00 0.69 0.00 0.00 54.13 53.89 2wub s LEU 175 Cb -0.05 -1.38 0.04 0.00 -0.43 0.00 0.00 46.19 44.37 2wub s LEU 175 CO -0.10 -0.02 0.11 -0.55 -0.29 0.00 0.00 176.35 175.49 2wub s SER 176 N -3.61 0.48 -0.03 3.68 0.15 0.38 -1.99 113.70 112.76 2wub s SER 176 Ca 0.31 0.21 0.07 0.00 0.70 0.00 0.00 55.95 57.24 2wub s SER 176 Cb -0.05 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.34 2wub s SER 176 CO 0.18 -0.20 -0.23 -0.55 1.20 0.00 0.00 173.24 173.64 2wub s SER 177 N 1.74 3.31 -0.12 5.45 0.15 -0.79 -0.90 113.70 122.53 2wub s SER 177 Ca -0.02 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 2wub s SER 177 Cb -0.12 -0.48 0.03 0.00 -1.71 0.00 0.00 66.02 63.75 2wub s SER 177 CO -0.05 0.33 -0.04 -0.89 1.20 0.00 0.00 173.24 173.79 2wub s THR 178 N -0.64 0.81 -0.49 6.45 2.01 -0.20 -1.00 115.64 122.57 2wub s THR 178 Ca 0.10 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.60 2wub s THR 178 Cb -0.10 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.49 2wub s THR 178 CO -0.01 0.21 0.72 -0.22 -0.69 0.00 0.00 174.62 174.64 2wub s LEU 179 N 1.78 4.56 -0.23 4.42 2.96 0.93 -1.76 118.68 131.34 2wub s LEU 179 Ca 0.03 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.22 2wub s LEU 179 Cb -0.14 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2wub s LEU 179 CO -0.07 -0.94 0.55 -0.89 -1.32 0.00 0.00 176.35 173.67 2wub s THR 180 N 3.06 5.07 0.03 3.68 2.01 -0.77 -1.31 115.64 127.40 2wub s THR 180 Ca 0.22 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2wub s THR 180 Cb -0.15 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2wub s THR 180 CO 0.17 0.11 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.41 2wub s LEU 181 N 2.04 2.27 0.76 4.42 1.43 0.17 -4.86 118.68 124.92 2wub s LEU 181 Ca 0.24 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 2wub s LEU 181 Cb -0.16 0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.17 2wub s LEU 181 CO 0.09 -0.31 1.09 -0.94 0.23 0.00 0.00 176.35 176.51 2wub s SER 182 N -1.65 4.86 0.33 2.29 1.04 -1.26 -0.41 113.70 118.91 2wub s SER 182 Ca -0.12 1.33 0.01 0.00 0.48 0.00 0.00 55.95 57.65 2wub s SER 182 Cb -0.08 -2.11 0.56 0.00 0.10 0.00 0.00 66.02 64.49 2wub s SER 182 CO -0.02 -1.74 2.00 0.50 0.98 0.00 0.00 173.24 174.96 2wub h LYS 183 N -0.93 0.93 0.09 4.02 3.64 -1.85 -0.53 116.57 121.94 2wub h LYS 183 Ca -0.46 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2wub h LYS 183 Cb 1.25 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2wub h LYS 183 CO 0.60 0.61 -0.04 0.00 -2.27 0.00 0.00 179.45 178.35 2wub h ALA 184 N 1.56 -0.11 0.00 5.00 0.00 -1.92 -2.07 119.26 121.71 2wub h ALA 184 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wub h ALA 184 Cb -0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wub h ALA 184 CO -0.06 -0.32 0.00 -0.44 0.00 0.00 0.00 179.25 178.43 2wub h ASP 185 N -0.60 0.00 0.08 0.00 3.32 -1.88 -2.91 116.42 114.43 2wub h ASP 185 Ca -0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 2wub h ASP 185 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2wub h ASP 185 CO 0.02 0.00 -1.09 0.22 -1.72 0.00 0.00 179.24 176.67 2wub h TYR 186 N 0.00 0.31 0.00 4.55 3.20 -1.00 -3.36 116.97 120.67 2wub h TYR 186 Ca 0.00 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2wub h TYR 186 Cb 0.20 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2wub h TYR 186 CO 0.00 1.42 0.00 0.39 -1.64 0.00 0.00 178.16 178.33 2wub n GLU 187 N -4.14 0.06 -0.24 1.82 1.02 -0.79 -2.73 120.64 115.64 2wub n GLU 187 Ca -0.22 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.17 2wub n GLU 187 Cb 0.79 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.91 2wub n GLU 187 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2wub n LYS 188 N -1.45 2.08 -4.35 3.49 2.85 -1.11 -4.91 118.16 114.76 2wub n LYS 188 Ca 0.05 -1.67 -0.18 0.00 -1.05 0.00 0.00 58.31 55.46 2wub n LYS 188 Cb 0.19 -1.36 -0.10 0.00 -0.65 0.00 0.00 35.03 33.11 2wub n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wub s HIS 189 N -1.38 1.62 0.00 5.58 3.76 -1.11 -5.11 115.29 118.66 2wub s HIS 189 Ca 0.31 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 2wub s HIS 189 Cb 0.16 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2wub s HIS 189 CO 0.21 -0.33 0.00 1.17 -0.85 0.00 0.00 174.74 174.95 2wub n LYS 190 N -0.55 0.00 -2.57 1.40 3.00 -1.26 -4.85 118.16 113.34 2wub n LYS 190 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 2wub n LYS 190 Cb 0.66 -0.01 -0.03 0.00 0.00 0.00 0.00 35.03 35.65 2wub n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wub s VAL 191 N -0.08 4.48 -0.25 3.15 1.01 -1.26 -2.97 120.40 124.49 2wub s VAL 191 Ca 0.00 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.78 2wub s VAL 191 Cb 0.00 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.30 2wub s VAL 191 CO 0.00 0.10 -0.06 -0.31 0.00 0.00 0.00 175.10 174.83 2wub s TYR 192 N 1.32 2.73 0.19 5.22 1.51 -0.86 0.41 117.35 127.86 2wub s TYR 192 Ca 0.54 -2.00 0.10 0.00 -1.01 0.00 0.00 57.07 54.70 2wub s TYR 192 Cb -0.24 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2wub s TYR 192 CO 0.26 -0.82 -0.14 0.00 -1.11 0.00 0.00 175.55 173.75 2wub s ALA 193 N 1.28 2.83 -0.16 3.71 0.00 0.22 -2.28 121.76 127.36 2wub s ALA 193 Ca -0.06 -1.53 -0.00 0.00 0.00 0.00 0.00 51.96 50.37 2wub s ALA 193 Cb -0.19 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.35 2wub s ALA 193 CO -0.06 0.45 -0.08 0.00 0.00 0.00 0.00 175.76 176.07 2wub s GLU 195 N 1.58 3.96 -0.05 0.00 2.12 0.23 -1.51 118.70 125.02 2wub s GLU 195 Ca 0.02 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2wub s GLU 195 Cb -0.15 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 2wub s GLU 195 CO -0.08 0.24 -0.17 0.08 -0.54 0.00 0.00 175.26 174.79 2wub s VAL 196 N 0.47 2.82 -0.23 3.70 1.01 0.41 -0.11 120.40 128.47 2wub s VAL 196 Ca 0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 2wub s VAL 196 Cb -0.13 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.23 2wub s VAL 196 CO 0.01 0.58 -0.02 -0.89 0.00 0.00 0.00 175.10 174.78 2wub s THR 197 N -0.55 1.21 0.28 3.92 2.01 -0.26 -2.32 115.64 119.94 2wub s THR 197 Ca 0.08 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.05 2wub s THR 197 Cb -0.11 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 2wub s THR 197 CO 0.01 -0.16 0.08 -2.28 -0.69 0.00 0.00 174.62 171.58 2wub s HIS 198 N 1.54 1.69 0.08 4.92 2.46 -1.26 -2.26 115.29 122.45 2wub s HIS 198 Ca -0.04 -1.10 -0.18 0.00 0.47 0.00 0.00 55.06 54.21 2wub s HIS 198 Cb -0.18 -1.04 -0.10 0.00 -0.13 0.00 0.00 32.58 31.13 2wub s HIS 198 CO -0.07 -0.22 1.43 0.37 -2.47 0.00 0.00 174.74 173.78 2wub h GLN 199 N 2.29 0.52 0.00 2.88 4.15 -1.91 -2.89 115.11 120.14 2wub h GLN 199 Ca -0.39 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 58.79 2wub h GLN 199 Cb 1.25 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2wub h GLN 199 CO 0.64 0.79 0.00 0.41 -1.93 0.00 0.00 178.83 178.74 2wub n GLY 200 N 0.01 -0.57 3.63 2.39 0.00 -1.26 -4.62 105.19 104.77 2wub n GLY 200 Ca -0.04 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2wub n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wub s LEU 201 N -2.39 4.02 0.24 0.99 1.02 -1.09 -4.68 118.68 116.80 2wub s LEU 201 Ca 0.13 0.06 0.24 0.00 0.02 0.00 0.00 54.13 54.59 2wub s LEU 201 Cb 0.08 -2.08 0.93 0.00 0.02 0.00 0.00 46.19 45.14 2wub s LEU 201 CO 0.16 0.05 1.73 -1.54 0.02 0.00 0.00 176.35 176.77 2wub n SER 202 N 4.41 0.69 -3.59 2.29 3.41 -1.26 -4.77 113.62 114.81 2wub n SER 202 Ca -0.15 0.64 -0.14 0.00 -0.26 0.00 0.00 58.87 58.96 2wub n SER 202 Cb 0.52 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 2wub n SER 202 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wub s SER 203 N -4.29 -0.58 -0.32 4.04 0.15 -1.26 -5.12 113.70 106.31 2wub s SER 203 Ca 0.06 0.90 -0.38 0.00 0.70 0.00 0.00 55.95 57.23 2wub s SER 203 Cb 0.10 0.83 -0.14 0.00 -1.71 0.00 0.00 66.02 65.11 2wub s SER 203 CO 0.45 -0.36 2.00 -2.65 1.20 0.00 0.00 173.24 173.88 2wub n PRO 204 N 1.65 1.10 -3.22 5.44 -0.02 -1.26 -4.94 135.00 133.74 2wub n PRO 204 Ca -0.14 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.31 2wub n PRO 204 Cb 0.56 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2wub n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wub s VAL 205 N 5.60 4.69 0.02 -1.45 1.01 -0.98 -4.89 120.40 124.39 2wub s VAL 205 Ca 1.05 1.20 0.03 0.00 0.00 0.00 0.00 61.98 64.27 2wub s VAL 205 Cb -0.98 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 31.50 2wub s VAL 205 CO 0.57 0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 175.09 2wub s THR 206 N -1.28 0.83 -0.05 3.92 2.01 -1.26 -0.44 115.64 119.38 2wub s THR 206 Ca 0.34 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2wub s THR 206 Cb -0.18 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.60 2wub s THR 206 CO 0.20 0.04 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.58 2wub s LYS 207 N -0.75 0.98 0.31 4.92 -0.14 -0.57 -4.96 119.74 119.53 2wub s LYS 207 Ca 0.01 -0.17 0.04 0.00 -1.36 0.00 0.00 55.97 54.48 2wub s LYS 207 Cb -0.06 -0.93 -0.01 0.00 -1.68 0.00 0.00 37.83 35.15 2wub s LYS 207 CO 0.00 -0.05 0.33 -1.13 -0.76 0.00 0.00 175.35 173.75 2wub n SER 208 N 3.94 -0.88 -3.65 2.83 3.41 -1.26 0.59 113.62 118.60 2wub n SER 208 Ca -0.25 -2.87 -0.06 0.00 -0.26 0.00 0.00 58.87 55.43 2wub n SER 208 Cb 0.51 1.84 -0.01 0.00 -0.26 0.00 0.00 64.21 66.29 2wub n SER 208 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2wub s PHE 209 N -3.17 -0.11 -0.19 7.33 -0.12 -0.97 -4.99 117.98 115.76 2wub s PHE 209 Ca 0.32 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.86 2wub s PHE 209 Cb 0.01 0.72 0.04 0.00 -0.63 0.00 0.00 43.02 43.15 2wub s PHE 209 CO 0.23 -1.19 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.28 2wub s ASN 210 N -2.98 3.33 -0.37 1.98 0.01 -1.26 -2.03 114.94 113.62 2wub s ASN 210 Ca 0.13 -0.83 -0.42 0.00 -0.71 0.00 0.00 52.86 51.03 2wub s ASN 210 Cb -0.05 -1.28 -0.17 0.00 0.41 0.00 0.00 41.25 40.17 2wub s ASN 210 CO 0.07 -0.12 1.79 -1.14 -1.51 0.00 0.00 177.10 176.19 2wub n ARG 211 N 4.67 0.72 0.00 -0.60 0.63 -1.16 -0.88 116.66 120.05 2wub n ARG 211 Ca -0.16 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2wub n ARG 211 Cb 0.47 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.47 2wub n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wub n GLY 212 N 4.72 1.67 0.00 5.14 0.00 -1.26 -5.07 105.19 110.39 2wub n GLY 212 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2wub n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wub n GLU 213 N -0.15 1.35 0.00 1.61 -0.58 -0.06 -5.30 120.64 117.51 2wub n GLU 213 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wub n GLU 213 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wub n GLU 213 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65