#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ehw s LEU 26 N 0.00 5.97 0.16 1.69 2.96 -1.26 -3.84 118.68 124.36 3ehw s LEU 26 Ca 0.00 -1.66 -0.20 0.00 -0.22 0.00 0.00 54.13 52.06 3ehw s LEU 26 Cb 0.00 -2.18 -0.08 0.00 0.50 0.00 0.00 46.19 44.43 3ehw s LEU 26 CO 0.00 -0.78 0.66 -0.13 -1.32 0.00 0.00 176.35 174.78 3ehw s ARG 27 N 1.59 4.25 0.04 1.98 0.52 -1.10 -4.95 118.95 121.28 3ehw s ARG 27 Ca 0.03 0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 56.05 3ehw s ARG 27 Cb -0.28 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 3ehw s ARG 27 CO 0.04 0.51 -0.01 -0.59 0.02 0.00 0.00 175.30 175.27 3ehw s PHE 28 N -1.33 0.38 0.06 -0.53 -0.12 -1.26 -0.48 117.98 114.71 3ehw s PHE 28 Ca 0.37 -0.80 0.07 0.00 -0.05 0.00 0.00 56.93 56.52 3ehw s PHE 28 Cb -0.18 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 3ehw s PHE 28 CO 0.21 -0.31 -0.20 0.00 -0.05 0.00 0.00 175.22 174.87 3ehw s ALA 29 N -2.87 1.72 0.01 1.99 0.00 -0.09 -4.99 121.76 117.53 3ehw s ALA 29 Ca -0.03 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 3ehw s ALA 29 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3ehw s ALA 29 CO -0.06 0.36 1.03 1.03 0.00 0.00 0.00 175.76 178.12 3ehw s ARG 30 N -1.45 4.53 0.02 0.00 0.52 -1.26 -1.78 118.95 119.53 3ehw s ARG 30 Ca 0.06 1.50 0.23 0.00 -0.52 0.00 0.00 55.73 57.01 3ehw s ARG 30 Cb -0.09 -3.43 0.13 0.00 0.52 0.00 0.00 34.95 32.08 3ehw s ARG 30 CO 0.03 -0.10 1.13 1.28 0.02 0.00 0.00 175.30 177.66 3ehw n LEU 31 N 3.91 0.67 -3.75 2.53 4.77 0.14 -4.95 117.00 120.32 3ehw n LEU 31 Ca 0.07 -0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 3ehw n LEU 31 Cb 0.50 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3ehw n LEU 31 CO 0.53 0.13 0.45 -0.94 -1.33 0.00 0.00 177.39 176.23 3ehw s SER 32 N -3.35 -0.34 0.00 -1.43 1.04 -1.24 -5.01 113.70 103.36 3ehw s SER 32 Ca 0.07 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.11 3ehw s SER 32 Cb 0.16 0.70 0.32 0.00 0.10 0.00 0.00 66.02 67.30 3ehw s SER 32 CO 0.78 -1.25 1.06 -1.84 0.98 0.00 0.00 173.24 172.97 3ehw n GLU 33 N -0.44 0.09 0.00 4.02 0.00 -1.26 -3.07 120.64 119.98 3ehw n GLU 33 Ca -0.07 0.23 0.10 0.00 0.00 0.00 0.00 57.16 57.41 3ehw n GLU 33 Cb 0.61 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.53 3ehw n GLU 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3ehw n HIS 34 N -1.29 0.00 -1.77 -1.84 8.25 -1.26 -4.95 115.22 112.35 3ehw n HIS 34 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 3ehw n HIS 34 Cb 0.05 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.19 3ehw n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ehw s ALA 35 N -2.29 2.93 -0.05 -1.41 0.00 -1.17 -4.33 121.76 115.44 3ehw s ALA 35 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3ehw s ALA 35 Cb 0.16 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.17 3ehw s ALA 35 CO 0.53 -0.89 -0.08 0.99 0.00 0.00 0.00 175.76 176.30 3ehw s THR 36 N -3.10 0.81 0.09 0.00 2.01 -1.26 -5.05 115.64 109.14 3ehw s THR 36 Ca 0.56 -0.31 -0.34 0.00 0.31 0.00 0.00 61.69 61.92 3ehw s THR 36 Cb -0.12 -0.77 -0.13 0.00 0.01 0.00 0.00 72.50 71.49 3ehw s THR 36 CO 0.54 0.28 1.69 0.00 -0.69 0.00 0.00 174.62 176.44 3ehw n ALA 37 N 3.76 1.40 -1.62 7.40 0.00 -1.26 -4.69 120.51 125.51 3ehw n ALA 37 Ca -0.23 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 3ehw n ALA 37 Cb 0.52 -2.43 0.02 0.00 0.00 0.00 0.00 19.45 17.56 3ehw n ALA 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ehw n PRO 38 N 4.54 1.32 -4.14 0.00 -0.02 -1.26 -4.97 135.00 130.47 3ehw n PRO 38 Ca 0.18 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3ehw n PRO 38 Cb 0.30 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.56 3ehw n PRO 38 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ehw s THR 39 N -1.33 0.80 -0.08 3.45 -4.23 -1.17 -4.88 115.64 108.21 3ehw s THR 39 Ca 0.66 -1.11 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 3ehw s THR 39 Cb -0.52 -0.81 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 3ehw s THR 39 CO 0.55 -0.26 0.46 -0.13 -0.54 0.00 0.00 174.62 174.70 3ehw s ARG 40 N -1.52 4.23 0.36 3.99 0.52 -1.26 0.60 118.95 125.88 3ehw s ARG 40 Ca -0.05 0.45 0.25 0.00 -0.52 0.00 0.00 55.73 55.87 3ehw s ARG 40 Cb -0.09 -3.37 0.67 0.00 0.52 0.00 0.00 34.95 32.67 3ehw s ARG 40 CO 0.01 0.32 1.72 0.78 0.02 0.00 0.00 175.30 178.15 3ehw h GLY 41 N 6.07 0.00 -2.77 -3.53 0.00 -1.94 -3.47 103.07 97.45 3ehw h GLY 41 Ca -0.44 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 3ehw h GLY 41 CO 0.71 0.00 -0.08 -1.35 0.00 0.00 0.00 176.54 175.82 3ehw s SER 42 N -5.44 -0.18 0.28 0.19 1.04 -1.26 -5.01 113.70 103.32 3ehw s SER 42 Ca 0.07 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.99 3ehw s SER 42 Cb 0.08 0.52 0.60 0.00 0.10 0.00 0.00 66.02 67.32 3ehw s SER 42 CO 0.61 -0.96 1.77 0.00 0.98 0.00 0.00 173.24 175.63 3ehw h ALA 43 N 2.33 1.41 -0.15 5.32 0.00 -2.02 -2.06 119.26 124.08 3ehw h ALA 43 Ca -0.31 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3ehw h ALA 43 Cb 1.25 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 3ehw h ALA 43 CO 0.42 -0.07 -0.62 0.54 0.00 0.00 0.00 179.25 179.53 3ehw n ARG 44 N -4.84 1.83 -1.88 0.00 5.12 -1.26 -5.04 116.66 110.60 3ehw n ARG 44 Ca 0.19 -3.36 -0.41 0.00 -1.93 0.00 0.00 57.85 52.34 3ehw n ARG 44 Cb 0.48 -1.60 -0.01 0.00 -1.16 0.00 0.00 32.46 30.16 3ehw n ARG 44 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ehw s ALA 45 N -3.04 3.62 0.30 7.54 0.00 -0.78 -4.91 121.76 124.49 3ehw s ALA 45 Ca 0.40 1.49 0.12 0.00 0.00 0.00 0.00 51.96 53.96 3ehw s ALA 45 Cb 0.38 -3.59 0.50 0.00 0.00 0.00 0.00 23.12 20.40 3ehw s ALA 45 CO -0.06 -0.92 1.69 0.00 0.00 0.00 0.00 175.76 176.47 3ehw h ALA 46 N 3.87 1.12 -3.63 0.00 0.00 -1.96 -3.45 119.26 115.21 3ehw h ALA 46 Ca -0.49 -0.48 -0.67 0.00 0.00 0.00 0.00 54.91 53.28 3ehw h ALA 46 Cb 1.23 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 3ehw h ALA 46 CO 0.71 0.65 -0.73 0.20 0.00 0.00 0.00 179.25 180.08 3ehw s GLY 47 N -4.41 1.75 -0.24 0.00 0.00 -1.26 -4.39 107.32 98.77 3ehw s GLY 47 Ca -0.02 -1.14 -0.20 0.00 0.00 0.00 0.00 44.72 43.37 3ehw s GLY 47 CO 0.75 -1.06 0.59 -0.19 0.00 0.00 0.00 173.10 173.19 3ehw s TYR 48 N -1.09 3.30 0.27 1.90 1.51 0.51 -4.46 117.35 119.30 3ehw s TYR 48 Ca 0.19 0.78 -0.30 0.00 -1.01 0.00 0.00 57.07 56.74 3ehw s TYR 48 Cb -0.11 -2.79 -0.10 0.00 -0.11 0.00 0.00 41.96 38.85 3ehw s TYR 48 CO 0.10 -0.27 1.38 -0.51 -1.11 0.00 0.00 175.55 175.14 3ehw s ASP 49 N 1.42 6.72 -0.13 2.29 1.01 0.20 0.01 116.67 128.19 3ehw s ASP 49 Ca 0.25 2.64 -0.05 0.00 0.71 0.00 0.00 52.55 56.10 3ehw s ASP 49 Cb -0.16 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 3ehw s ASP 49 CO 0.09 -0.62 0.05 -0.76 0.21 0.00 0.00 175.17 174.14 3ehw s LEU 50 N -0.82 3.84 -0.11 1.23 1.43 0.69 -3.06 118.68 121.89 3ehw s LEU 50 Ca 0.55 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3ehw s LEU 50 Cb -0.40 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 3ehw s LEU 50 CO 0.46 0.31 0.02 -0.31 0.23 0.00 0.00 176.35 177.06 3ehw s TYR 51 N -0.46 3.19 0.30 0.29 2.02 -1.26 -1.33 117.35 120.10 3ehw s TYR 51 Ca 0.10 0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.64 3ehw s TYR 51 Cb -0.12 -1.87 -0.10 0.00 -0.40 0.00 0.00 41.96 39.47 3ehw s TYR 51 CO 0.02 0.38 1.38 0.45 -1.57 0.00 0.00 175.55 176.20 3ehw s SER 52 N -0.53 6.69 0.00 2.29 0.15 -0.03 -4.51 113.70 117.75 3ehw s SER 52 Ca 0.09 2.70 0.26 0.00 0.70 0.00 0.00 55.95 59.70 3ehw s SER 52 Cb -0.12 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.18 3ehw s SER 52 CO 0.02 -0.64 1.49 0.00 1.20 0.00 0.00 173.24 175.31 3ehw n ALA 53 N 1.49 3.32 -2.30 5.45 0.00 -0.55 -0.07 120.51 127.84 3ehw n ALA 53 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 3ehw n ALA 53 Cb 0.41 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 3ehw n ALA 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ehw s TYR 54 N -2.73 0.76 0.12 0.00 2.02 -1.26 -4.81 117.35 111.44 3ehw s TYR 54 Ca 0.18 -1.12 -0.25 0.00 -0.37 0.00 0.00 57.07 55.51 3ehw s TYR 54 Cb 0.18 -0.37 -0.07 0.00 -0.40 0.00 0.00 41.96 41.30 3ehw s TYR 54 CO 0.61 -0.58 0.77 -0.51 -1.57 0.00 0.00 175.55 174.27 3ehw s ASP 55 N -3.03 7.32 0.01 2.29 -0.00 -1.26 -2.58 116.67 119.41 3ehw s ASP 55 Ca 0.23 1.56 0.02 0.00 -0.00 0.00 0.00 52.55 54.36 3ehw s ASP 55 Cb 0.06 -2.48 -0.01 0.00 -0.00 0.00 0.00 42.92 40.49 3ehw s ASP 55 CO 0.02 0.14 -0.06 -0.31 -0.00 0.00 0.00 175.17 174.95 3ehw s TYR 56 N -0.74 0.56 -0.27 4.23 1.51 0.10 -4.97 117.35 117.78 3ehw s TYR 56 Ca 0.37 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 3ehw s TYR 56 Cb -0.22 -0.35 0.03 0.00 -0.11 0.00 0.00 41.96 41.30 3ehw s TYR 56 CO 0.25 -0.03 -0.02 0.99 -1.11 0.00 0.00 175.55 175.63 3ehw s THR 57 N -0.45 3.11 -0.38 -0.71 2.01 -1.26 -0.24 115.64 117.71 3ehw s THR 57 Ca -0.01 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 3ehw s THR 57 Cb -0.04 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.86 3ehw s THR 57 CO -0.00 0.10 0.23 -0.63 -0.69 0.00 0.00 174.62 173.62 3ehw s ILE 58 N 1.34 4.72 0.99 1.82 1.01 0.52 -4.94 121.20 126.65 3ehw s ILE 58 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3ehw s ILE 58 Cb -0.18 -3.63 0.18 0.00 0.01 0.00 0.00 42.46 38.85 3ehw s ILE 58 CO -0.02 -0.25 1.09 -2.84 0.00 0.00 0.00 174.94 172.91 3ehw s PRO 59 N 1.58 0.49 0.34 2.79 0.02 -1.26 -0.22 135.00 138.73 3ehw s PRO 59 Ca 0.03 1.04 -0.28 0.00 0.02 0.00 0.00 61.00 61.81 3ehw s PRO 59 Cb -0.19 -1.70 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 3ehw s PRO 59 CO 0.07 -2.83 1.18 -2.30 -0.33 0.00 0.00 177.00 172.79 3ehw n PRO 60 N -4.32 1.81 -1.84 5.54 -0.02 -1.26 -1.98 135.00 132.92 3ehw n PRO 60 Ca 0.07 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 3ehw n PRO 60 Cb 0.54 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3ehw n PRO 60 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ehw n MET 61 N 0.54 -1.40 -4.26 -0.52 2.81 0.13 -4.97 117.12 109.46 3ehw n MET 61 Ca 0.07 1.08 -0.26 0.00 -1.81 0.00 0.00 57.70 56.78 3ehw n MET 61 Cb 0.35 -5.48 -0.08 0.00 -0.71 0.00 0.00 33.22 27.30 3ehw n MET 61 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3ehw s GLU 62 N -4.10 2.17 0.22 0.03 0.41 -0.84 -4.93 118.70 111.66 3ehw s GLU 62 Ca 0.00 -1.95 0.05 0.00 -0.41 0.00 0.00 54.97 52.66 3ehw s GLU 62 Cb 0.00 -1.89 -0.05 0.00 -1.78 0.00 0.00 34.13 30.41 3ehw s GLU 62 CO 0.00 -0.15 -0.05 -1.59 -0.49 0.00 0.00 175.26 172.98 3ehw s LYS 63 N -3.89 1.30 0.01 1.61 -2.85 -1.26 -0.63 119.74 114.03 3ehw s LYS 63 Ca 0.37 -1.63 -0.19 0.00 -1.00 0.00 0.00 55.97 53.52 3ehw s LYS 63 Cb 0.05 -0.76 0.04 0.00 -2.06 0.00 0.00 37.83 35.10 3ehw s LYS 63 CO 0.20 -0.00 0.42 0.00 0.10 0.00 0.00 175.35 176.07 3ehw s ALA 64 N -3.29 -1.05 -0.44 0.59 0.00 -0.39 -4.95 121.76 112.24 3ehw s ALA 64 Ca 0.25 0.48 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 3ehw s ALA 64 Cb 0.04 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.39 3ehw s ALA 64 CO 0.07 -0.37 0.35 0.08 0.00 0.00 0.00 175.76 175.89 3ehw s VAL 65 N -1.84 5.24 -0.22 0.00 1.01 -1.26 -0.88 120.40 122.45 3ehw s VAL 65 Ca -0.09 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 3ehw s VAL 65 Cb -0.02 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3ehw s VAL 65 CO 0.02 -0.43 0.78 -0.69 0.00 0.00 0.00 175.10 174.78 3ehw s VAL 66 N 1.68 4.89 0.03 2.92 1.01 0.13 -4.85 120.40 126.21 3ehw s VAL 66 Ca 0.05 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 3ehw s VAL 66 Cb -0.21 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3ehw s VAL 66 CO 0.09 -0.02 0.86 -0.54 0.00 0.00 0.00 175.10 175.49 3ehw s LYS 67 N 2.53 4.55 0.17 2.72 1.02 -1.26 -0.10 119.74 129.36 3ehw s LYS 67 Ca 0.34 1.23 0.22 0.00 0.02 0.00 0.00 55.97 57.78 3ehw s LYS 67 Cb -0.16 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 3ehw s LYS 67 CO 0.09 0.13 0.97 0.25 -0.92 0.00 0.00 175.35 175.87 3ehw n THR 68 N 3.29 0.61 -2.19 2.17 -2.24 -0.83 -1.48 114.28 113.61 3ehw n THR 68 Ca 0.01 -0.56 -0.18 0.00 -2.27 0.00 0.00 64.05 61.05 3ehw n THR 68 Cb 0.50 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 3ehw n THR 68 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ehw n ASP 69 N -2.65 -5.22 -4.43 3.42 9.92 -1.26 -4.30 116.55 112.02 3ehw n ASP 69 Ca -0.01 0.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.11 3ehw n ASP 69 Cb 0.58 -4.44 -0.12 0.00 -0.64 0.00 0.00 41.12 36.49 3ehw n ASP 69 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3ehw s ILE 70 N -2.83 2.46 0.00 0.53 -4.36 -1.26 0.24 121.20 115.98 3ehw s ILE 70 Ca 0.00 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 3ehw s ILE 70 Cb 0.00 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 3ehw s ILE 70 CO 0.00 0.06 -0.02 0.00 0.24 0.00 0.00 174.94 175.22 3ehw s GLN 71 N -2.19 2.72 0.18 0.37 -2.07 -0.73 -0.76 119.66 117.17 3ehw s GLN 71 Ca 0.16 -0.64 0.07 0.00 -1.82 0.00 0.00 55.36 53.14 3ehw s GLN 71 Cb -0.10 -2.63 -0.04 0.00 -1.09 0.00 0.00 33.01 29.15 3ehw s GLN 71 CO 0.08 0.62 -0.15 0.96 -1.32 0.00 0.00 175.29 175.48 3ehw s ILE 72 N -1.07 1.63 -0.28 3.63 -4.36 -1.26 -0.91 121.20 118.59 3ehw s ILE 72 Ca 0.19 -2.04 -0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3ehw s ILE 72 Cb -0.11 -1.89 0.08 0.00 1.25 0.00 0.00 42.46 41.79 3ehw s ILE 72 CO 0.10 -0.51 0.05 0.00 0.24 0.00 0.00 174.94 174.81 3ehw s ALA 73 N -2.65 1.64 0.52 2.27 0.00 0.36 -4.58 121.76 119.32 3ehw s ALA 73 Ca 0.18 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.43 3ehw s ALA 73 Cb -0.02 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 3ehw s ALA 73 CO 0.05 -1.48 1.16 -0.51 0.00 0.00 0.00 175.76 174.99 3ehw s LEU 74 N 1.55 3.85 0.64 0.00 1.43 -1.26 -2.70 118.68 122.19 3ehw s LEU 74 Ca 0.05 2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 55.25 3ehw s LEU 74 Cb -0.18 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.60 3ehw s LEU 74 CO -0.16 -1.16 1.29 -2.84 0.23 0.00 0.00 176.35 173.71 3ehw s PRO 75 N -3.04 2.60 0.26 1.29 0.02 -1.25 -4.94 135.00 129.94 3ehw s PRO 75 Ca 0.70 2.06 -0.31 0.00 0.02 0.00 0.00 61.00 63.47 3ehw s PRO 75 Cb -0.27 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 3ehw s PRO 75 CO 0.32 -1.56 1.41 0.45 -0.33 0.00 0.00 177.00 177.29 3ehw n SER 76 N -1.85 2.90 0.00 2.53 2.88 -1.26 -3.13 113.62 115.69 3ehw n SER 76 Ca 0.16 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 3ehw n SER 76 Cb 0.48 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 3ehw n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ehw n GLY 77 N 1.93 0.87 3.38 0.46 0.00 -1.26 -5.07 105.19 105.50 3ehw n GLY 77 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3ehw n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ehw s TYR 79 N -3.90 2.10 -0.34 0.00 1.13 -0.70 -4.42 117.35 111.21 3ehw s TYR 79 Ca 0.32 -0.91 -0.10 0.00 -1.41 0.00 0.00 57.07 54.97 3ehw s TYR 79 Cb 0.03 -1.47 0.01 0.00 -1.10 0.00 0.00 41.96 39.43 3ehw s TYR 79 CO 0.13 0.14 0.18 0.20 -2.51 0.00 0.00 175.55 173.69 3ehw s GLY 80 N -3.63 1.90 -0.26 5.49 0.00 0.37 -2.04 107.32 109.15 3ehw s GLY 80 Ca 0.30 -1.57 -0.18 0.00 0.00 0.00 0.00 44.72 43.27 3ehw s GLY 80 CO 0.14 0.78 0.53 -1.60 0.00 0.00 0.00 173.10 172.95 3ehw s ARG 81 N 1.58 4.07 -0.29 2.90 3.52 0.73 -0.35 118.95 131.12 3ehw s ARG 81 Ca 0.03 0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.69 3ehw s ARG 81 Cb -0.18 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 3ehw s ARG 81 CO 0.06 -0.36 1.30 0.08 -0.81 0.00 0.00 175.30 175.57 3ehw s VAL 82 N 2.32 4.15 0.18 7.11 1.01 0.15 -0.56 120.40 134.76 3ehw s VAL 82 Ca 0.22 1.31 0.10 0.00 0.00 0.00 0.00 61.98 63.61 3ehw s VAL 82 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3ehw s VAL 82 CO 0.09 -0.46 -0.18 0.00 0.00 0.00 0.00 175.10 174.55 3ehw s ALA 83 N 4.32 2.70 0.48 5.51 0.00 0.15 -4.64 121.76 130.27 3ehw s ALA 83 Ca 0.56 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 3ehw s ALA 83 Cb -0.17 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 3ehw s ALA 83 CO 0.22 0.46 1.01 -1.25 0.00 0.00 0.00 175.76 176.20 3ehw s PRO 84 N -2.67 3.92 0.25 0.00 0.04 -1.26 -1.14 135.00 134.13 3ehw s PRO 84 Ca 0.22 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 3ehw s PRO 84 Cb -0.08 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3ehw s PRO 84 CO 0.12 -0.32 0.78 1.03 0.04 0.00 0.00 177.00 178.65 3ehw s ARG 85 N -3.31 4.33 0.18 4.56 0.52 -1.26 -4.79 118.95 119.19 3ehw s ARG 85 Ca 0.65 0.98 0.01 0.00 -0.52 0.00 0.00 55.73 56.85 3ehw s ARG 85 Cb -0.14 -2.86 0.08 0.00 0.52 0.00 0.00 34.95 32.55 3ehw s ARG 85 CO 0.19 0.37 1.44 0.66 0.02 0.00 0.00 175.30 177.98 3ehw h SER 86 N 3.36 0.37 0.36 0.23 4.64 -1.96 -2.32 113.55 118.22 3ehw h SER 86 Ca -0.48 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 60.59 3ehw h SER 86 Cb 1.19 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3ehw h SER 86 CO 0.65 0.99 -0.32 1.23 -0.87 0.00 0.00 176.83 178.51 3ehw h GLY 87 N 1.48 -0.76 1.13 -0.77 0.00 -1.99 0.15 103.07 102.31 3ehw h GLY 87 Ca -0.03 0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.67 3ehw h GLY 87 CO 0.12 -0.28 0.58 1.41 0.00 0.00 0.00 176.54 178.37 3ehw h LEU 88 N -0.70 1.00 0.36 3.11 3.38 -1.91 -0.89 115.31 119.67 3ehw h LEU 88 Ca -0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ehw h LEU 88 Cb 0.62 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ehw h LEU 88 CO -0.04 0.72 -0.17 0.00 0.09 0.00 0.00 178.44 179.04 3ehw h ALA 89 N 1.46 -0.49 -0.03 1.53 0.00 -1.11 -1.34 119.26 119.29 3ehw h ALA 89 Ca 0.32 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 3ehw h ALA 89 Cb -0.13 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ehw h ALA 89 CO -0.07 -0.72 -0.89 0.00 0.00 0.00 0.00 179.25 177.56 3ehw h ALA 90 N 0.02 0.40 0.20 0.00 0.00 -0.50 -1.26 119.26 118.13 3ehw h ALA 90 Ca -0.05 -0.68 -0.33 0.00 0.00 0.00 0.00 54.91 53.85 3ehw h ALA 90 Cb 0.43 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ehw h ALA 90 CO 0.08 0.79 -1.55 0.87 0.00 0.00 0.00 179.25 179.44 3ehw h LYS 91 N 0.27 0.43 0.00 0.00 1.57 -1.28 -3.41 116.57 114.15 3ehw h LYS 91 Ca -0.07 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 57.97 3ehw h LYS 91 Cb 1.52 0.28 0.00 0.00 0.08 0.00 0.00 32.23 34.10 3ehw h LYS 91 CO 0.16 1.34 0.00 0.72 -0.57 0.00 0.00 179.45 181.10 3ehw n HIS 92 N -3.62 0.00 -3.57 -1.35 8.25 -0.55 -5.01 115.22 109.36 3ehw n HIS 92 Ca -0.18 -0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 56.92 3ehw n HIS 92 Cb 1.08 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 32.26 3ehw n HIS 92 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ehw n PHE 93 N -0.12 -2.79 -3.34 4.41 -0.00 -0.47 -4.02 117.46 111.12 3ehw n PHE 93 Ca 0.00 1.00 -0.38 0.00 -0.00 0.00 0.00 57.45 58.07 3ehw n PHE 93 Cb 0.16 -5.00 -0.06 0.00 -0.00 0.00 0.00 39.48 34.58 3ehw n PHE 93 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3ehw s ILE 94 N -3.32 5.11 0.26 -2.13 -1.09 -0.91 -1.58 121.20 117.53 3ehw s ILE 94 Ca 0.52 0.97 0.04 0.00 -2.23 0.00 0.00 60.65 59.95 3ehw s ILE 94 Cb -0.23 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3ehw s ILE 94 CO 0.72 0.40 -0.01 -0.62 -1.23 0.00 0.00 174.94 174.20 3ehw s ASP 95 N 0.12 2.12 -0.15 3.58 3.68 -0.40 -3.62 116.67 121.99 3ehw s ASP 95 Ca 0.26 -1.24 0.00 0.00 2.13 0.00 0.00 52.55 53.71 3ehw s ASP 95 Cb -0.16 -0.04 -0.00 0.00 -1.45 0.00 0.00 42.92 41.27 3ehw s ASP 95 CO 0.12 -0.49 -0.16 -0.69 0.13 0.00 0.00 175.17 174.08 3ehw s VAL 96 N -3.31 2.62 0.50 1.11 1.01 -1.26 -1.12 120.40 119.95 3ehw s VAL 96 Ca 0.30 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ehw s VAL 96 Cb 0.06 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.44 3ehw s VAL 96 CO 0.11 0.52 0.68 0.61 0.00 0.00 0.00 175.10 177.01 3ehw n GLY 97 N 4.04 0.81 7.00 4.51 0.00 0.11 -4.88 105.19 116.77 3ehw n GLY 97 Ca -0.19 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3ehw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ehw n ALA 98 N -2.90 0.00 0.00 4.61 0.00 -1.26 -4.43 120.51 116.53 3ehw n ALA 98 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ehw n ALA 98 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3ehw n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ehw n GLY 99 N 0.00 0.54 3.36 0.00 0.00 -1.26 -4.94 105.19 102.89 3ehw n GLY 99 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3ehw n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ehw s VAL 100 N -2.00 5.29 -0.35 1.61 1.01 -1.26 -0.68 120.40 124.02 3ehw s VAL 100 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 3ehw s VAL 100 Cb 0.00 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.86 3ehw s VAL 100 CO 0.00 -1.13 0.83 -0.63 0.00 0.00 0.00 175.10 174.16 3ehw s ILE 101 N 1.15 4.71 0.51 2.22 -1.09 0.53 -4.96 121.20 124.26 3ehw s ILE 101 Ca 0.19 1.06 -0.17 0.00 -2.23 0.00 0.00 60.65 59.50 3ehw s ILE 101 Cb -0.12 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.45 3ehw s ILE 101 CO -0.06 -0.41 0.98 -1.81 -1.23 0.00 0.00 174.94 172.41 3ehw s ASP 102 N 1.78 6.64 0.48 3.58 1.11 -1.26 -0.47 116.67 128.52 3ehw s ASP 102 Ca 0.34 1.57 0.18 0.00 0.18 0.00 0.00 52.55 54.81 3ehw s ASP 102 Cb -0.13 -2.51 1.18 0.00 1.07 0.00 0.00 42.92 42.53 3ehw s ASP 102 CO 0.16 -0.57 2.01 -0.08 1.18 0.00 0.00 175.17 177.87 3ehw h GLU 103 N 0.98 0.21 -0.47 8.23 4.81 -1.94 -1.38 114.58 125.02 3ehw h GLU 103 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3ehw h GLU 103 Cb 1.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3ehw h GLU 103 CO 0.61 0.14 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 3ehw n ASP 104 N -4.45 2.81 -4.71 1.04 5.68 -1.26 -4.30 116.55 111.35 3ehw n ASP 104 Ca 0.08 -1.96 -0.41 0.00 -0.50 0.00 0.00 54.79 51.99 3ehw n ASP 104 Cb 0.40 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 3ehw n ASP 104 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3ehw s TYR 105 N -1.37 3.64 0.00 2.11 5.04 -0.52 -4.91 117.35 121.34 3ehw s TYR 105 Ca 0.36 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.56 3ehw s TYR 105 Cb 0.19 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.48 3ehw s TYR 105 CO 0.26 0.03 0.89 0.54 -1.34 0.00 0.00 175.55 175.92 3ehw n ARG 106 N 3.81 2.30 -1.50 4.97 5.12 -1.26 -4.56 116.66 125.53 3ehw n ARG 106 Ca 0.04 -1.28 -0.18 0.00 -1.93 0.00 0.00 57.85 54.50 3ehw n ARG 106 Cb 0.51 -0.91 0.12 0.00 -1.16 0.00 0.00 32.46 31.02 3ehw n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ehw n GLY 107 N -0.39 -0.70 3.70 -0.13 0.00 -1.26 -4.81 105.19 101.60 3ehw n GLY 107 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3ehw n GLY 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ehw s ASN 108 N -4.12 6.60 -0.25 1.61 3.84 -1.26 -4.22 114.94 117.15 3ehw s ASN 108 Ca 0.49 2.51 -0.29 0.00 0.21 0.00 0.00 52.86 55.78 3ehw s ASN 108 Cb -0.02 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 3ehw s ASN 108 CO 0.34 -0.87 1.34 -0.69 -2.79 0.00 0.00 177.10 174.42 3ehw s VAL 109 N 2.33 4.11 -0.11 -5.21 1.01 0.06 -4.95 120.40 117.64 3ehw s VAL 109 Ca 0.73 1.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.96 3ehw s VAL 109 Cb -0.40 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3ehw s VAL 109 CO 0.32 -0.35 0.04 -0.83 0.00 0.00 0.00 175.10 174.28 3ehw s GLY 110 N 2.75 1.92 -0.28 4.51 0.00 -1.26 -1.97 107.32 112.99 3ehw s GLY 110 Ca 0.58 -0.76 -0.10 0.00 0.00 0.00 0.00 44.72 44.44 3ehw s GLY 110 CO 0.22 -0.39 0.14 0.14 0.00 0.00 0.00 173.10 173.21 3ehw s VAL 111 N -0.62 4.77 -0.63 1.40 1.01 0.85 -4.90 120.40 122.29 3ehw s VAL 111 Ca 0.11 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 3ehw s VAL 111 Cb -0.12 -3.32 0.07 0.00 0.00 0.00 0.00 36.38 33.01 3ehw s VAL 111 CO 0.02 0.21 0.92 -0.69 0.00 0.00 0.00 175.10 175.55 3ehw s VAL 112 N 1.67 4.41 -0.09 2.92 1.01 -1.26 0.23 120.40 129.28 3ehw s VAL 112 Ca 0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 3ehw s VAL 112 Cb -0.16 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 3ehw s VAL 112 CO 0.07 -1.35 0.35 -0.76 0.00 0.00 0.00 175.10 173.41 3ehw s LEU 113 N 3.82 4.34 -0.13 3.92 1.43 -0.06 0.06 118.68 132.07 3ehw s LEU 113 Ca 0.21 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3ehw s LEU 113 Cb -0.17 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3ehw s LEU 113 CO 0.11 0.19 -0.15 -0.36 0.23 0.00 0.00 176.35 176.36 3ehw s PHE 114 N -0.17 2.77 -0.45 0.29 2.99 -0.27 -1.26 117.98 121.87 3ehw s PHE 114 Ca 0.21 -0.82 -0.08 0.00 0.00 0.00 0.00 56.93 56.23 3ehw s PHE 114 Cb -0.15 -1.84 0.11 0.00 0.00 0.00 0.00 43.02 41.14 3ehw s PHE 114 CO 0.08 -0.33 0.31 1.21 -0.00 0.00 0.00 175.22 176.49 3ehw s ASN 115 N 0.51 5.63 0.00 1.36 3.04 0.20 -1.28 114.94 124.40 3ehw s ASN 115 Ca -0.10 -1.81 0.22 0.00 0.04 0.00 0.00 52.86 51.21 3ehw s ASN 115 Cb -0.16 -1.98 0.53 0.00 -1.54 0.00 0.00 41.25 38.09 3ehw s ASN 115 CO 0.04 -0.63 1.45 0.49 -3.04 0.00 0.00 177.10 175.40 3ehw n PHE 116 N 4.88 0.41 -2.07 0.43 3.72 -0.61 0.21 117.46 124.43 3ehw n PHE 116 Ca -0.08 -0.21 -0.28 0.00 -0.05 0.00 0.00 57.45 56.83 3ehw n PHE 116 Cb 0.41 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.09 3ehw n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ehw s GLY 117 N -1.49 1.72 0.37 1.37 0.00 -1.25 -4.71 107.32 103.33 3ehw s GLY 117 Ca 0.36 -1.12 0.23 0.00 0.00 0.00 0.00 44.72 44.20 3ehw s GLY 117 CO 0.29 -0.50 1.53 0.50 0.00 0.00 0.00 173.10 174.93 3ehw h LYS 118 N -1.17 0.00 -6.14 2.90 1.57 -1.93 -3.35 116.57 108.45 3ehw h LYS 118 Ca -0.44 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.70 3ehw h LYS 118 Cb 1.27 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 3ehw h LYS 118 CO 0.48 0.00 -0.59 -1.21 -0.57 0.00 0.00 179.45 177.56 3ehw s GLU 119 N -3.22 2.95 0.67 3.15 0.41 -1.26 -4.72 118.70 116.67 3ehw s GLU 119 Ca 0.06 -0.64 -0.17 0.00 -0.41 0.00 0.00 54.97 53.81 3ehw s GLU 119 Cb 0.07 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 3ehw s GLU 119 CO 0.68 0.58 1.27 -1.59 -0.49 0.00 0.00 175.26 175.71 3ehw s LYS 120 N -2.29 2.43 -0.17 1.61 -2.85 -1.26 -4.22 119.74 112.99 3ehw s LYS 120 Ca 0.29 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 57.24 3ehw s LYS 120 Cb -0.12 -1.84 0.01 0.00 -2.06 0.00 0.00 37.83 33.81 3ehw s LYS 120 CO 0.21 -1.67 -0.16 0.12 0.10 0.00 0.00 175.35 173.95 3ehw s PHE 121 N -1.56 2.79 -0.26 1.78 2.19 0.70 -4.95 117.98 118.67 3ehw s PHE 121 Ca 0.80 -1.25 -0.16 0.00 0.33 0.00 0.00 56.93 56.65 3ehw s PHE 121 Cb -0.35 -1.92 -0.03 0.00 -1.31 0.00 0.00 43.02 39.41 3ehw s PHE 121 CO 0.41 -0.60 0.42 -1.21 1.83 0.00 0.00 175.22 176.06 3ehw s GLU 122 N 1.04 4.05 -0.21 10.12 0.41 -1.26 -0.35 118.70 132.49 3ehw s GLU 122 Ca -0.01 0.14 -0.10 0.00 -0.41 0.00 0.00 54.97 54.59 3ehw s GLU 122 Cb -0.15 -3.64 -0.05 0.00 -1.78 0.00 0.00 34.13 28.51 3ehw s GLU 122 CO -0.05 -0.28 0.14 0.08 -0.49 0.00 0.00 175.26 174.66 3ehw s VAL 123 N 2.07 5.34 0.05 2.63 1.01 0.66 -4.99 120.40 127.17 3ehw s VAL 123 Ca 0.17 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3ehw s VAL 123 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3ehw s VAL 123 CO 0.09 0.41 0.05 -0.54 0.00 0.00 0.00 175.10 175.11 3ehw s LYS 124 N 0.61 2.84 0.16 2.72 -0.14 -1.26 -0.73 119.74 123.94 3ehw s LYS 124 Ca 0.07 -0.65 -0.34 0.00 -1.36 0.00 0.00 55.97 53.69 3ehw s LYS 124 Cb -0.12 -2.71 -0.16 0.00 -1.68 0.00 0.00 37.83 33.17 3ehw s LYS 124 CO 0.00 0.59 1.26 1.17 -0.76 0.00 0.00 175.35 177.62 3ehw n LYS 125 N 0.84 1.33 -0.29 1.68 4.81 -1.06 -1.55 118.16 123.92 3ehw n LYS 125 Ca -0.11 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3ehw n LYS 125 Cb 0.52 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.52 3ehw n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ehw n GLY 126 N 2.25 0.89 3.75 3.14 0.00 0.89 -4.96 105.19 111.15 3ehw n GLY 126 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3ehw n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ehw s ASP 127 N -2.95 7.49 -0.54 1.61 1.01 -0.59 -4.75 116.67 117.94 3ehw s ASP 127 Ca 0.00 2.04 -0.24 0.00 0.71 0.00 0.00 52.55 55.06 3ehw s ASP 127 Cb 0.00 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.36 3ehw s ASP 127 CO 0.00 0.02 0.94 -0.13 0.21 0.00 0.00 175.17 176.21 3ehw s ARG 128 N -1.07 3.36 0.00 8.23 0.52 -1.26 -0.85 118.95 127.87 3ehw s ARG 128 Ca 0.43 -0.21 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 3ehw s ARG 128 Cb -0.28 -4.04 0.09 0.00 0.52 0.00 0.00 34.95 31.24 3ehw s ARG 128 CO 0.35 -1.46 0.89 0.44 0.02 0.00 0.00 175.30 175.53 3ehw n ILE 129 N 6.23 0.50 -3.93 1.52 -6.64 -0.44 -4.95 119.36 111.64 3ehw n ILE 129 Ca 0.02 -0.75 -0.00 0.00 -1.77 0.00 0.00 62.75 60.25 3ehw n ILE 129 Cb 0.48 0.80 0.02 0.00 -1.44 0.00 0.00 39.64 39.49 3ehw n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ehw s ALA 130 N -0.71 -2.01 0.03 -1.28 0.00 -1.24 -4.67 121.76 111.88 3ehw s ALA 130 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 3ehw s ALA 130 Cb 0.05 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 3ehw s ALA 130 CO 0.07 -1.11 -0.03 1.14 0.00 0.00 0.00 175.76 175.83 3ehw s GLN 131 N -2.08 0.41 -0.19 0.00 -2.07 -0.29 -0.22 119.66 115.23 3ehw s GLN 131 Ca 0.26 -0.81 -0.03 0.00 -1.82 0.00 0.00 55.36 52.96 3ehw s GLN 131 Cb -0.02 0.12 -0.01 0.00 -1.09 0.00 0.00 33.01 32.01 3ehw s GLN 131 CO 0.02 -0.06 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.70 3ehw s LEU 132 N -1.92 2.91 -0.14 2.60 2.96 0.10 0.34 118.68 125.53 3ehw s LEU 132 Ca -0.09 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3ehw s LEU 132 Cb -0.04 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3ehw s LEU 132 CO -0.04 0.05 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.35 3ehw s ILE 133 N 1.03 3.61 -1.15 6.68 1.01 0.27 -0.36 121.20 132.30 3ehw s ILE 133 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 3ehw s ILE 133 Cb -0.15 -2.56 0.12 0.00 0.01 0.00 0.00 42.46 39.88 3ehw s ILE 133 CO -0.00 0.51 1.46 0.00 0.00 0.00 0.00 174.94 176.90 3ehw s GLU 135 N 3.07 4.32 0.12 0.00 0.41 -0.87 -4.89 118.70 120.86 3ehw s GLU 135 Ca 0.44 1.59 -0.30 0.00 -0.41 0.00 0.00 54.97 56.29 3ehw s GLU 135 Cb -0.01 -3.62 -0.06 0.00 -1.78 0.00 0.00 34.13 28.66 3ehw s GLU 135 CO -0.01 -0.51 1.07 1.03 -0.49 0.00 0.00 175.26 176.35 3ehw s ARG 136 N 2.62 4.58 0.07 1.61 0.52 -1.26 -1.73 118.95 125.36 3ehw s ARG 136 Ca 0.53 1.63 0.01 0.00 -0.52 0.00 0.00 55.73 57.38 3ehw s ARG 136 Cb -0.22 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 3ehw s ARG 136 CO 0.18 0.02 -0.06 0.96 0.02 0.00 0.00 175.30 176.42 3ehw s ILE 137 N 0.24 0.50 0.32 1.52 -4.36 -0.79 -4.96 121.20 113.67 3ehw s ILE 137 Ca 0.51 -1.65 -0.15 0.00 -0.26 0.00 0.00 60.65 59.10 3ehw s ILE 137 Cb -0.27 -1.31 -0.09 0.00 1.25 0.00 0.00 42.46 42.04 3ehw s ILE 137 CO 0.32 -0.78 0.73 -0.36 0.24 0.00 0.00 174.94 175.09 3ehw s PHE 138 N -3.07 3.37 -0.82 1.37 2.99 -1.26 -4.60 117.98 115.96 3ehw s PHE 138 Ca 0.04 1.20 0.01 0.00 0.00 0.00 0.00 56.93 58.18 3ehw s PHE 138 Cb 0.02 -2.52 0.21 0.00 0.00 0.00 0.00 43.02 40.72 3ehw s PHE 138 CO -0.05 0.10 0.71 0.66 -0.00 0.00 0.00 175.22 176.64 3ehw n TYR 139 N -0.36 3.77 -2.29 0.36 4.01 -1.26 -5.09 117.16 116.30 3ehw n TYR 139 Ca 0.03 -4.15 -0.32 0.00 -0.16 0.00 0.00 57.90 53.31 3ehw n TYR 139 Cb 0.53 -0.91 -0.03 0.00 -0.31 0.00 0.00 39.34 38.63 3ehw n TYR 139 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3ehw s PRO 140 N -1.57 3.87 0.22 -0.72 0.04 -1.26 -5.03 135.00 130.55 3ehw s PRO 140 Ca 0.28 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 3ehw s PRO 140 Cb -0.04 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3ehw s PRO 140 CO -0.12 -0.34 1.06 -1.21 0.04 0.00 0.00 177.00 176.43 3ehw s GLU 141 N -4.28 4.67 0.09 4.56 8.01 -1.26 -5.05 118.70 125.44 3ehw s GLU 141 Ca 0.58 1.69 -0.23 0.00 0.01 0.00 0.00 54.97 57.02 3ehw s GLU 141 Cb -0.10 -3.25 -0.07 0.00 -4.31 0.00 0.00 34.13 26.40 3ehw s GLU 141 CO 0.36 0.22 0.70 -1.50 0.01 0.00 0.00 175.26 175.05 3ehw s ILE 142 N -0.74 4.62 -0.05 -1.63 2.07 -1.26 -5.07 121.20 119.14 3ehw s ILE 142 Ca 0.46 1.50 -0.01 0.00 -1.41 0.00 0.00 60.65 61.19 3ehw s ILE 142 Cb -0.29 -4.04 0.03 0.00 0.13 0.00 0.00 42.46 38.28 3ehw s ILE 142 CO 0.36 0.48 0.02 -0.70 -1.91 0.00 0.00 174.94 173.19 3ehw s GLU 143 N -0.75 0.28 0.06 3.50 -6.30 -1.26 -5.13 118.70 109.11 3ehw s GLU 143 Ca 0.34 0.20 -0.26 0.00 -2.50 0.00 0.00 54.97 52.75 3ehw s GLU 143 Cb -0.21 -0.69 -0.06 0.00 0.00 0.00 0.00 34.13 33.18 3ehw s GLU 143 CO 0.22 -0.27 0.80 -2.00 0.02 0.00 0.00 175.26 174.03 3ehw s GLU 144 N 1.82 4.53 0.33 4.30 2.12 -1.26 -5.07 118.70 125.47 3ehw s GLU 144 Ca 0.02 1.14 0.05 0.00 0.36 0.00 0.00 54.97 56.53 3ehw s GLU 144 Cb -0.12 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.84 3ehw s GLU 144 CO -0.04 0.29 0.01 0.14 -0.54 0.00 0.00 175.26 175.12 3ehw s VAL 145 N -0.10 1.48 -0.02 3.70 -7.23 -1.26 -5.08 120.40 111.89 3ehw s VAL 145 Ca 0.40 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 3ehw s VAL 145 Cb -0.21 -2.72 -0.20 0.00 0.56 0.00 0.00 36.38 33.80 3ehw s VAL 145 CO 0.24 -0.10 1.26 0.06 -0.31 0.00 0.00 175.10 176.26 3ehw h GLN 146 N 2.10 0.00 -3.35 4.82 -0.00 -2.09 -3.47 115.11 113.12 3ehw h GLN 146 Ca -0.41 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.19 3ehw h GLN 146 Cb 1.24 0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 28.60 3ehw h GLN 146 CO 0.71 0.49 -0.03 0.00 -0.00 0.00 0.00 178.83 180.00 3ehw s ALA 147 N -4.24 -0.97 0.31 0.06 0.00 -1.26 -5.18 121.76 110.47 3ehw s ALA 147 Ca -0.16 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.82 3ehw s ALA 147 Cb 0.02 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 3ehw s ALA 147 CO 0.68 -0.69 0.22 -0.51 0.00 0.00 0.00 175.76 175.46 3ehw s LEU 148 N -2.82 3.59 0.75 0.00 1.43 -1.26 -5.11 118.68 115.26 3ehw s LEU 148 Ca 0.04 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 3ehw s LEU 148 Cb 0.01 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 44.12 3ehw s LEU 148 CO -0.10 -0.23 1.12 1.51 0.23 0.00 0.00 176.35 178.89 3ehw s ASP 149 N -3.91 4.43 0.34 2.29 3.84 -1.26 -5.02 116.67 117.38 3ehw s ASP 149 Ca 0.37 2.02 -0.20 0.00 -0.00 0.00 0.00 52.55 54.74 3ehw s ASP 149 Cb -0.06 -2.55 -0.10 0.00 -1.38 0.00 0.00 42.92 38.84 3ehw s ASP 149 CO 0.25 -2.09 0.84 1.51 -0.00 0.00 0.00 175.17 175.68 3ehw s ASP 150 N -2.81 6.98 0.29 2.11 -4.77 -1.26 -5.08 116.67 112.13 3ehw s ASP 150 Ca 0.66 1.53 0.03 0.00 -3.30 0.00 0.00 52.55 51.48 3ehw s ASP 150 Cb -0.21 -2.47 -0.06 0.00 -1.09 0.00 0.00 42.92 39.09 3ehw s ASP 150 CO 0.50 -0.19 0.04 0.42 0.70 0.00 0.00 175.17 176.64 3ehw s THR 151 N -1.90 1.06 0.08 2.11 -4.23 -1.26 -5.02 115.64 106.49 3ehw s THR 151 Ca 0.54 -2.02 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 3ehw s THR 151 Cb -0.12 -2.64 -0.13 0.00 1.34 0.00 0.00 72.50 70.95 3ehw s THR 151 CO 0.18 -0.10 1.65 -0.08 -0.54 0.00 0.00 174.62 175.73 3ehw h GLU 152 N 2.26 0.12 -0.56 3.99 4.57 -2.05 -2.74 114.58 120.16 3ehw h GLU 152 Ca -0.40 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 57.85 3ehw h GLU 152 Cb 1.24 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 3ehw h GLU 152 CO 0.67 0.19 0.22 -0.09 -1.18 0.00 0.00 179.01 178.81 3ehw h ARG 153 N 0.01 0.40 0.00 1.92 2.43 -1.97 -3.47 114.38 113.70 3ehw h ARG 153 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ehw h ARG 153 Cb 0.11 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3ehw h ARG 153 CO -0.00 0.26 0.00 0.41 -1.51 0.00 0.00 179.97 179.13 3ehw n GLY 154 N -1.28 3.96 1.41 2.80 0.00 -1.04 -1.57 105.19 109.47 3ehw n GLY 154 Ca 0.07 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3ehw n GLY 154 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ehw n SER 155 N 7.14 4.10 -4.70 1.61 3.41 -1.26 -4.94 113.62 118.99 3ehw n SER 155 Ca 0.00 -2.06 -0.42 0.00 -0.26 0.00 0.00 58.87 56.13 3ehw n SER 155 Cb 0.00 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 3ehw n SER 155 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ehw n GLY 156 N 1.61 1.65 1.90 5.00 0.00 -0.61 -4.96 105.19 109.78 3ehw n GLY 156 Ca 0.25 0.68 -0.03 0.00 0.00 0.00 0.00 46.02 46.92 3ehw n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ehw n GLY 157 N 4.16 1.28 4.00 -0.02 0.00 -1.26 -4.93 105.19 108.41 3ehw n GLY 157 Ca 0.17 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 3ehw n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ehw n PHE 158 N -0.30 -1.69 -0.35 1.61 3.01 -1.26 -1.59 117.46 116.89 3ehw n PHE 158 Ca -0.03 0.76 0.00 0.00 1.01 0.00 0.00 57.45 59.19 3ehw n PHE 158 Cb 0.29 -3.63 0.00 0.00 -0.01 0.00 0.00 39.48 36.14 3ehw n PHE 158 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ehw n GLY 159 N -1.88 0.82 0.35 1.37 0.00 -1.26 -4.96 105.19 99.63 3ehw n GLY 159 Ca -0.24 -0.05 0.18 0.00 0.00 0.00 0.00 46.02 45.91 3ehw n GLY 159 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ehw h SER 160 N 0.00 0.00 0.36 1.61 4.64 -1.66 -0.91 113.55 117.60 3ehw h SER 160 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ehw h SER 160 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ehw h SER 160 CO 0.00 0.00 -0.22 0.35 -0.87 0.00 0.00 176.83 176.09 3ehw n THR 161 N -3.78 0.00 0.00 2.95 -2.24 -1.26 -5.00 114.28 104.95 3ehw n THR 161 Ca 0.03 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ehw n THR 161 Cb 0.39 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3ehw n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ehw n GLY 162 N 1.35 -3.74 0.08 3.38 0.00 -0.35 -4.83 105.19 101.09 3ehw n GLY 162 Ca 0.12 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 3ehw n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ehw n LYS 163 N -0.07 0.65 0.00 1.61 5.02 -1.26 -4.96 118.16 119.15 3ehw n LYS 163 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3ehw n LYS 163 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3ehw n LYS 163 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15