#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 4.52 -0.15 2.61 2.96 -1.26 -3.90 118.68 123.45 3ehw s LEU 26 Ca 0.00 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 3ehw s LEU 26 Cb 0.00 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 3ehw s LEU 26 CO 0.00 -0.45 0.15 -0.13 -1.32 0.00 0.00 176.35 174.60 3ehw s ARG 27 N 2.18 3.82 0.04 1.98 3.00 -1.01 -4.98 118.95 123.98 3ehw s ARG 27 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 55.73 55.74 3ehw s ARG 27 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 34.95 31.46 3ehw s ARG 27 CO 0.13 0.54 -0.05 -0.59 0.00 0.00 0.00 175.30 175.33 3ehw s PHE 28 N -0.35 0.53 -0.03 -0.53 -0.12 -1.26 0.44 117.98 116.66 3ehw s PHE 28 Ca 0.12 -0.64 0.04 0.00 -0.05 0.00 0.00 56.93 56.41 3ehw s PHE 28 Cb -0.12 -0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 3ehw s PHE 28 CO 0.02 -0.17 -0.15 0.00 -0.05 0.00 0.00 175.22 174.86 3ehw s ALA 29 N -2.01 1.32 0.09 1.99 0.00 -0.07 -4.98 121.76 118.10 3ehw s ALA 29 Ca -0.07 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 3ehw s ALA 29 Cb -0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 3ehw s ALA 29 CO -0.02 0.28 1.23 1.03 0.00 0.00 0.00 175.76 178.27 3ehw s ARG 30 N -0.12 4.43 0.02 0.00 0.52 -1.26 -1.32 118.95 121.21 3ehw s ARG 30 Ca 0.01 1.83 0.23 0.00 -0.52 0.00 0.00 55.73 57.28 3ehw s ARG 30 Cb -0.09 -3.32 0.18 0.00 0.52 0.00 0.00 34.95 32.25 3ehw s ARG 30 CO 0.01 -0.26 1.16 1.28 0.02 0.00 0.00 175.30 177.51 3ehw n LEU 31 N 3.72 0.66 -3.90 2.53 4.77 0.10 -4.95 117.00 119.93 3ehw n LEU 31 Ca 0.09 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3ehw n LEU 31 Cb 0.45 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3ehw n LEU 31 CO 0.56 0.12 0.38 -0.94 -1.33 0.00 0.00 177.39 176.19 3ehw s SER 32 N -3.33 -0.05 0.00 -1.43 1.04 -1.25 -5.01 113.70 103.67 3ehw s SER 32 Ca 0.08 -0.90 0.19 0.00 0.48 0.00 0.00 55.95 55.79 3ehw s SER 32 Cb 0.16 0.72 0.93 0.00 0.10 0.00 0.00 66.02 67.93 3ehw s SER 32 CO 0.77 -1.38 1.57 -0.62 0.98 0.00 0.00 173.24 174.56 3ehw n GLU 33 N -0.47 0.25 0.08 4.02 -0.58 -1.26 -3.19 120.64 119.50 3ehw n GLU 33 Ca -0.04 0.11 0.12 0.00 -0.42 0.00 0.00 57.16 56.93 3ehw n GLU 33 Cb 0.60 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.02 3ehw n GLU 33 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ehw n HIS 34 N -1.30 0.76 -2.00 -0.32 8.25 -1.26 -4.91 115.22 114.44 3ehw n HIS 34 Ca 0.09 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 57.42 3ehw n HIS 34 Cb 0.15 -0.81 0.03 0.00 1.12 0.00 0.00 29.99 30.48 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 -3.30 2.54 -0.05 -1.41 0.00 -1.19 -4.47 121.76 113.89 3ehw s ALA 35 Ca 0.02 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.89 3ehw s ALA 35 Cb 0.11 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3ehw s ALA 35 CO 0.78 -1.12 -0.20 0.99 0.00 0.00 0.00 175.76 176.21 3ehw s THR 36 N -1.80 1.67 0.10 0.00 2.01 -1.26 -5.04 115.64 111.31 3ehw s THR 36 Ca 0.74 -0.85 -0.34 0.00 0.31 0.00 0.00 61.69 61.55 3ehw s THR 36 Cb -0.27 -1.43 -0.13 0.00 0.01 0.00 0.00 72.50 70.69 3ehw s THR 36 CO 0.33 0.47 1.69 0.00 -0.69 0.00 0.00 174.62 176.43 3ehw n ALA 37 N 3.09 1.40 -1.66 7.40 0.00 -1.26 -4.65 120.51 124.83 3ehw n ALA 37 Ca -0.18 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 3ehw n ALA 37 Cb 0.53 -2.42 0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 4.49 1.06 -4.11 0.00 -0.02 -1.26 -4.96 135.00 130.20 3ehw n PRO 38 Ca 0.18 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.92 3ehw n PRO 38 Cb 0.30 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.44 0.71 -0.18 3.45 -4.23 -1.14 -4.89 115.64 107.91 3ehw s THR 39 Ca 0.77 -1.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 3ehw s THR 39 Cb -0.41 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 3ehw s THR 39 CO 0.46 -0.28 0.43 -0.13 -0.54 0.00 0.00 174.62 174.55 3ehw s ARG 40 N -1.49 4.22 0.52 3.99 0.52 -1.26 0.06 118.95 125.50 3ehw s ARG 40 Ca -0.06 0.28 0.30 0.00 -0.52 0.00 0.00 55.73 55.72 3ehw s ARG 40 Cb -0.09 -3.51 1.29 0.00 0.52 0.00 0.00 34.95 33.16 3ehw s ARG 40 CO 0.01 0.00 1.97 0.78 0.02 0.00 0.00 175.30 178.08 3ehw h GLY 41 N 7.44 0.00 -2.61 -3.53 0.00 -1.94 -3.45 103.07 98.97 3ehw h GLY 41 Ca -0.37 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3ehw h GLY 41 CO 0.73 0.00 -0.14 -1.35 0.00 0.00 0.00 176.54 175.78 3ehw s SER 42 N -5.90 -0.10 0.29 0.19 1.04 -1.26 -5.03 113.70 102.92 3ehw s SER 42 Ca -0.00 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.73 3ehw s SER 42 Cb 0.10 0.52 0.59 0.00 0.10 0.00 0.00 66.02 67.33 3ehw s SER 42 CO 0.57 -1.00 1.82 0.00 0.98 0.00 0.00 173.24 175.61 3ehw h ALA 43 N 2.35 1.54 -0.54 5.32 0.00 -2.02 -2.22 119.26 123.69 3ehw h ALA 43 Ca -0.29 0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.27 3ehw h ALA 43 Cb 1.25 -0.18 -0.28 0.00 0.00 0.00 0.00 17.79 18.58 3ehw h ALA 43 CO 0.42 0.16 -0.56 0.54 0.00 0.00 0.00 179.25 179.81 3ehw n ARG 44 N -4.66 2.87 -2.18 0.00 5.12 -1.26 -5.04 116.66 111.52 3ehw n ARG 44 Ca 0.20 -3.80 -0.41 0.00 -1.93 0.00 0.00 57.85 51.90 3ehw n ARG 44 Cb 0.40 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 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 -3.49 3.52 0.27 7.54 0.00 -0.84 -4.91 121.76 123.86 3ehw s ALA 45 Ca 0.48 1.16 0.30 0.00 0.00 0.00 0.00 51.96 53.91 3ehw s ALA 45 Cb 0.41 -3.48 1.39 0.00 0.00 0.00 0.00 23.12 21.44 3ehw s ALA 45 CO 0.00 -0.56 2.01 0.00 0.00 0.00 0.00 175.76 177.21 3ehw h ALA 46 N 4.66 1.09 -3.99 0.00 0.00 -1.95 -3.45 119.26 115.62 3ehw h ALA 46 Ca -0.46 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 53.70 3ehw h ALA 46 Cb 1.22 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.76 3ehw h ALA 46 CO 0.73 0.12 -0.86 0.20 0.00 0.00 0.00 179.25 179.44 3ehw s GLY 47 N -4.21 1.44 -0.29 0.00 0.00 -1.26 -4.27 107.32 98.73 3ehw s GLY 47 Ca -0.01 -1.35 -0.18 0.00 0.00 0.00 0.00 44.72 43.19 3ehw s GLY 47 CO 0.57 -1.30 0.49 -0.19 0.00 0.00 0.00 173.10 172.67 3ehw s TYR 48 N -0.99 3.23 0.24 1.90 1.51 0.83 -4.43 117.35 119.64 3ehw s TYR 48 Ca 0.12 0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 56.33 3ehw s TYR 48 Cb -0.10 -2.77 -0.11 0.00 -0.11 0.00 0.00 41.96 38.87 3ehw s TYR 48 CO 0.04 -0.36 1.63 -0.51 -1.11 0.00 0.00 175.55 175.25 3ehw s ASP 49 N 1.63 6.42 -0.12 2.29 1.01 0.11 0.86 116.67 128.87 3ehw s ASP 49 Ca 0.20 2.85 -0.04 0.00 0.71 0.00 0.00 52.55 56.27 3ehw s ASP 49 Cb -0.16 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 3ehw s ASP 49 CO 0.11 -0.91 0.04 -0.76 0.21 0.00 0.00 175.17 173.86 3ehw s LEU 50 N 0.42 3.79 -0.14 1.23 1.43 -0.22 -2.86 118.68 122.32 3ehw s LEU 50 Ca 0.69 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 3ehw s LEU 50 Cb -0.48 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3ehw s LEU 50 CO 0.39 0.32 0.03 -0.31 0.23 0.00 0.00 176.35 177.01 3ehw s TYR 51 N -0.50 3.21 0.31 0.29 2.02 -1.26 -1.63 117.35 119.78 3ehw s TYR 51 Ca 0.10 0.07 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 3ehw s TYR 51 Cb -0.12 -1.96 -0.11 0.00 -0.40 0.00 0.00 41.96 39.37 3ehw s TYR 51 CO 0.02 0.25 1.46 0.45 -1.57 0.00 0.00 175.55 176.17 3ehw s SER 52 N -0.10 6.53 0.00 2.29 0.15 0.27 -4.54 113.70 118.30 3ehw s SER 52 Ca 0.05 2.84 0.27 0.00 0.70 0.00 0.00 55.95 59.82 3ehw s SER 52 Cb -0.12 -2.64 0.92 0.00 -1.71 0.00 0.00 66.02 62.47 3ehw s SER 52 CO 0.02 -0.77 1.67 0.00 1.20 0.00 0.00 173.24 175.36 3ehw n ALA 53 N 1.51 2.82 -2.71 5.45 0.00 -0.60 0.20 120.51 127.18 3ehw n ALA 53 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 3ehw n ALA 53 Cb 0.40 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.25 0.28 0.28 0.00 2.02 -1.26 -4.81 117.35 111.61 3ehw s TYR 54 Ca 0.31 -0.66 -0.27 0.00 -0.37 0.00 0.00 57.07 56.09 3ehw s TYR 54 Cb 0.20 -0.02 -0.09 0.00 -0.40 0.00 0.00 41.96 41.65 3ehw s TYR 54 CO 0.43 -0.68 0.92 -0.51 -1.57 0.00 0.00 175.55 174.14 3ehw s ASP 55 N -2.93 7.45 -0.04 2.29 -0.00 -1.26 -2.74 116.67 119.44 3ehw s ASP 55 Ca 0.13 1.85 -0.08 0.00 -0.00 0.00 0.00 52.55 54.45 3ehw s ASP 55 Cb 0.03 -2.58 0.01 0.00 -0.00 0.00 0.00 42.92 40.39 3ehw s ASP 55 CO -0.04 0.04 0.18 -0.31 -0.00 0.00 0.00 175.17 175.04 3ehw s TYR 56 N -1.43 -0.12 -0.22 4.23 2.02 0.42 -4.96 117.35 117.30 3ehw s TYR 56 Ca 0.46 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.42 3ehw s TYR 56 Cb -0.22 0.03 0.01 0.00 -0.40 0.00 0.00 41.96 41.39 3ehw s TYR 56 CO 0.27 -0.19 -0.09 0.99 -1.57 0.00 0.00 175.55 174.96 3ehw s THR 57 N -0.51 2.85 -0.34 -0.71 2.01 -1.26 -0.38 115.64 117.31 3ehw s THR 57 Ca -0.06 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 3ehw s THR 57 Cb -0.04 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 70.17 3ehw s THR 57 CO 0.01 0.37 0.13 -0.63 -0.69 0.00 0.00 174.62 173.81 3ehw s ILE 58 N 1.37 4.05 0.98 1.82 1.01 0.18 -4.95 121.20 125.65 3ehw s ILE 58 Ca 0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 3ehw s ILE 58 Cb -0.15 -3.24 0.18 0.00 0.01 0.00 0.00 42.46 39.27 3ehw s ILE 58 CO -0.06 -0.13 1.10 -2.84 0.00 0.00 0.00 174.94 173.01 3ehw s PRO 59 N 1.47 0.54 0.45 2.79 0.02 -1.26 -0.07 135.00 138.93 3ehw s PRO 59 Ca 0.00 1.23 -0.25 0.00 0.02 0.00 0.00 61.00 62.00 3ehw s PRO 59 Cb -0.19 -1.70 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 3ehw s PRO 59 CO 0.04 -2.85 1.39 -2.30 -0.33 0.00 0.00 177.00 172.94 3ehw n PRO 60 N -4.36 2.16 -3.16 5.54 -0.02 -1.25 -2.43 135.00 131.48 3ehw n PRO 60 Ca 0.08 0.77 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 3ehw n PRO 60 Cb 0.53 -2.57 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.15 -4.62 -4.48 -0.52 2.81 0.10 -4.98 117.12 105.28 3ehw n MET 61 Ca 0.06 0.78 -0.23 0.00 -1.81 0.00 0.00 57.70 56.49 3ehw n MET 61 Cb 0.41 -5.61 -0.09 0.00 -0.71 0.00 0.00 33.22 27.22 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 -5.84 1.78 0.12 0.03 2.02 -1.02 -4.97 118.70 110.82 3ehw s GLU 62 Ca 0.35 -2.04 0.03 0.00 0.02 0.00 0.00 54.97 53.33 3ehw s GLU 62 Cb -0.17 -0.70 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 3ehw s GLU 62 CO 0.43 -0.34 -0.09 -1.59 0.02 0.00 0.00 175.26 173.69 3ehw s LYS 63 N -3.82 0.92 -0.04 1.61 -2.85 -1.26 -0.99 119.74 113.31 3ehw s LYS 63 Ca 0.30 -1.34 -0.15 0.00 -1.00 0.00 0.00 55.97 53.77 3ehw s LYS 63 Cb 0.05 -0.42 0.03 0.00 -2.06 0.00 0.00 37.83 35.44 3ehw s LYS 63 CO 0.15 0.03 0.34 0.00 0.10 0.00 0.00 175.35 175.97 3ehw s ALA 64 N -3.28 -0.86 -0.36 0.59 0.00 -0.79 -4.95 121.76 112.11 3ehw s ALA 64 Ca 0.12 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3ehw s ALA 64 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3ehw s ALA 64 CO -0.02 -0.25 0.48 0.08 0.00 0.00 0.00 175.76 176.05 3ehw s VAL 65 N -1.05 5.05 -0.29 0.00 1.01 -1.26 -1.04 120.40 122.81 3ehw s VAL 65 Ca -0.11 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 3ehw s VAL 65 Cb -0.04 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3ehw s VAL 65 CO 0.04 -0.23 0.53 -0.69 0.00 0.00 0.00 175.10 174.74 3ehw s VAL 66 N 2.31 5.04 0.17 2.92 1.01 0.12 -4.88 120.40 127.08 3ehw s VAL 66 Ca 0.17 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 3ehw s VAL 66 Cb -0.16 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 3ehw s VAL 66 CO 0.13 -0.01 1.01 -0.54 0.00 0.00 0.00 175.10 175.68 3ehw s LYS 67 N 2.37 4.70 0.09 2.72 1.02 -1.26 -0.50 119.74 128.88 3ehw s LYS 67 Ca 0.21 1.56 0.22 0.00 0.02 0.00 0.00 55.97 57.98 3ehw s LYS 67 Cb -0.15 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.73 3ehw s LYS 67 CO 0.11 0.24 0.85 0.25 -0.92 0.00 0.00 175.35 175.87 3ehw n THR 68 N 2.31 0.32 -2.88 2.17 -2.24 -0.92 -1.55 114.28 111.49 3ehw n THR 68 Ca 0.01 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 3ehw n THR 68 Cb 0.48 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.39 -5.50 -4.31 3.42 9.92 -1.26 -4.33 116.55 112.10 3ehw n ASP 69 Ca -0.01 -0.19 -0.24 0.00 -0.53 0.00 0.00 54.79 53.81 3ehw n ASP 69 Cb 0.53 -4.50 -0.12 0.00 -0.64 0.00 0.00 41.12 36.39 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 -3.06 1.80 0.07 0.53 -4.36 -1.26 0.01 121.20 114.93 3ehw s ILE 70 Ca 0.22 -1.62 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 3ehw s ILE 70 Cb -0.10 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 3ehw s ILE 70 CO 0.27 -0.08 -0.12 0.00 0.24 0.00 0.00 174.94 175.26 3ehw s GLN 71 N -2.05 2.16 0.10 0.37 -2.07 -0.43 -0.58 119.66 117.16 3ehw s GLN 71 Ca 0.09 -0.97 0.07 0.00 -1.82 0.00 0.00 55.36 52.73 3ehw s GLN 71 Cb -0.09 -2.30 -0.03 0.00 -1.09 0.00 0.00 33.01 29.50 3ehw s GLN 71 CO 0.05 0.53 -0.17 0.96 -1.32 0.00 0.00 175.29 175.34 3ehw s ILE 72 N -1.09 1.46 -0.30 3.63 -4.36 -1.26 -0.89 121.20 118.38 3ehw s ILE 72 Ca 0.18 -1.55 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 3ehw s ILE 72 Cb -0.11 -1.44 0.08 0.00 1.25 0.00 0.00 42.46 42.24 3ehw s ILE 72 CO 0.10 -0.22 -0.02 0.00 0.24 0.00 0.00 174.94 175.04 3ehw s ALA 73 N -1.52 2.76 0.41 2.27 0.00 0.17 -4.69 121.76 121.17 3ehw s ALA 73 Ca 0.05 -2.10 -0.25 0.00 0.00 0.00 0.00 51.96 49.67 3ehw s ALA 73 Cb -0.08 -1.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 3ehw s ALA 73 CO 0.04 -1.43 1.16 -0.51 0.00 0.00 0.00 175.76 175.02 3ehw s LEU 74 N 1.05 4.16 0.64 0.00 1.43 -1.26 -2.42 118.68 122.29 3ehw s LEU 74 Ca -0.00 2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 55.23 3ehw s LEU 74 Cb -0.20 -4.07 -0.01 0.00 0.03 0.00 0.00 46.19 41.94 3ehw s LEU 74 CO -0.05 -0.69 1.21 -2.84 0.23 0.00 0.00 176.35 174.20 3ehw s PRO 75 N -2.38 2.68 0.28 1.29 0.02 -1.25 -4.92 135.00 130.72 3ehw s PRO 75 Ca 0.58 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 3ehw s PRO 75 Cb -0.29 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.21 3ehw s PRO 75 CO 0.37 -1.43 1.51 0.45 -0.33 0.00 0.00 177.00 177.57 3ehw n SER 76 N -2.00 3.43 0.00 2.53 2.88 -1.26 -2.99 113.62 116.21 3ehw n SER 76 Ca 0.14 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 3ehw n SER 76 Cb 0.50 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 2.05 0.79 3.23 0.46 0.00 -1.26 -5.08 105.19 105.38 3ehw n GLY 77 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.97 2.56 -0.36 0.00 1.13 -0.51 -4.58 117.35 111.61 3ehw s TYR 79 Ca 0.17 -0.64 -0.14 0.00 -1.41 0.00 0.00 57.07 55.05 3ehw s TYR 79 Cb 0.05 -1.86 -0.00 0.00 -1.10 0.00 0.00 41.96 39.05 3ehw s TYR 79 CO -0.02 0.34 0.28 0.20 -2.51 0.00 0.00 175.55 173.84 3ehw s GLY 80 N -3.79 1.97 -0.25 5.49 0.00 -0.41 -1.26 107.32 109.06 3ehw s GLY 80 Ca 0.38 -1.46 -0.20 0.00 0.00 0.00 0.00 44.72 43.44 3ehw s GLY 80 CO 0.20 0.86 0.61 -1.60 0.00 0.00 0.00 173.10 173.17 3ehw s ARG 81 N 1.77 4.11 -0.26 2.90 3.52 0.73 -0.19 118.95 131.52 3ehw s ARG 81 Ca 0.07 0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.89 3ehw s ARG 81 Cb -0.18 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 3ehw s ARG 81 CO 0.11 -0.39 1.11 0.08 -0.81 0.00 0.00 175.30 175.40 3ehw s VAL 82 N 2.43 4.51 0.15 7.11 1.01 0.12 -0.70 120.40 135.04 3ehw s VAL 82 Ca 0.25 1.78 0.09 0.00 0.00 0.00 0.00 61.98 64.10 3ehw s VAL 82 Cb -0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 3ehw s VAL 82 CO 0.09 -0.32 -0.20 0.00 0.00 0.00 0.00 175.10 174.67 3ehw s ALA 83 N 3.52 2.01 0.38 5.51 0.00 0.11 -4.60 121.76 128.69 3ehw s ALA 83 Ca 0.47 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 3ehw s ALA 83 Cb -0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 3ehw s ALA 83 CO 0.12 0.30 1.03 -1.25 0.00 0.00 0.00 175.76 175.96 3ehw s PRO 84 N -2.51 4.25 0.42 0.00 0.04 -1.26 -0.71 135.00 135.23 3ehw s PRO 84 Ca 0.13 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 3ehw s PRO 84 Cb -0.07 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 3ehw s PRO 84 CO 0.06 -0.05 0.98 1.03 0.04 0.00 0.00 177.00 179.05 3ehw s ARG 85 N -2.44 4.21 0.11 4.56 0.52 -1.26 -4.80 118.95 119.85 3ehw s ARG 85 Ca 0.56 1.25 -0.13 0.00 -0.52 0.00 0.00 55.73 56.89 3ehw s ARG 85 Cb -0.21 -2.32 -0.13 0.00 0.52 0.00 0.00 34.95 32.82 3ehw s ARG 85 CO 0.26 -0.06 1.35 0.66 0.02 0.00 0.00 175.30 177.53 3ehw h SER 86 N 2.15 0.94 0.27 0.23 4.64 -1.97 -2.70 113.55 117.11 3ehw h SER 86 Ca -0.49 -0.58 -0.00 0.00 -0.47 0.00 0.00 61.79 60.25 3ehw h SER 86 Cb 1.19 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3ehw h SER 86 CO 0.62 1.36 -0.20 1.23 -0.87 0.00 0.00 176.83 178.96 3ehw h GLY 87 N 0.58 -0.49 1.34 -0.77 0.00 -1.98 0.12 103.07 101.86 3ehw h GLY 87 Ca -0.02 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3ehw h GLY 87 CO 0.14 -0.20 0.44 1.41 0.00 0.00 0.00 176.54 178.33 3ehw h LEU 88 N -0.48 0.76 0.21 3.11 3.38 -1.93 0.14 115.31 120.51 3ehw h LEU 88 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3ehw h LEU 88 Cb 0.42 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ehw h LEU 88 CO -0.01 0.55 -0.10 0.00 0.09 0.00 0.00 178.44 178.97 3ehw h ALA 89 N 1.58 -0.28 -0.02 1.53 0.00 -1.11 -0.36 119.26 120.61 3ehw h ALA 89 Ca 0.25 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3ehw h ALA 89 Cb -0.09 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ehw h ALA 89 CO -0.05 -0.53 -0.86 0.00 0.00 0.00 0.00 179.25 177.80 3ehw h ALA 90 N 0.19 0.48 0.18 0.00 0.00 -0.43 -1.07 119.26 118.61 3ehw h ALA 90 Ca -0.03 -0.69 -0.35 0.00 0.00 0.00 0.00 54.91 53.85 3ehw h ALA 90 Cb 0.40 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ehw h ALA 90 CO 0.05 0.83 -1.76 0.87 0.00 0.00 0.00 179.25 179.24 3ehw h LYS 91 N 0.20 0.38 0.00 0.00 1.57 -0.80 -3.41 116.57 114.52 3ehw h LYS 91 Ca -0.06 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3ehw h LYS 91 Cb 1.48 0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.03 3ehw h LYS 91 CO 0.14 1.30 0.00 0.72 -0.57 0.00 0.00 179.45 181.05 3ehw n HIS 92 N -3.58 0.00 -2.91 -1.35 8.25 -0.18 -5.01 115.22 110.44 3ehw n HIS 92 Ca -0.25 -0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 56.72 3ehw n HIS 92 Cb 1.07 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 32.19 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 -0.28 -1.76 -3.28 4.41 -0.00 -0.41 -4.19 117.46 111.95 3ehw n PHE 93 Ca 0.00 0.44 -0.38 0.00 -0.00 0.00 0.00 57.45 57.51 3ehw n PHE 93 Cb 0.30 -4.25 -0.06 0.00 -0.00 0.00 0.00 39.48 35.48 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 -3.13 4.94 0.21 -2.13 -1.09 -1.01 -1.63 121.20 117.36 3ehw s ILE 94 Ca 0.26 1.14 0.02 0.00 -2.23 0.00 0.00 60.65 59.83 3ehw s ILE 94 Cb -0.11 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3ehw s ILE 94 CO 0.32 0.45 0.03 -0.62 -1.23 0.00 0.00 174.94 173.89 3ehw s ASP 95 N -0.35 1.37 -0.16 3.58 3.68 0.20 -3.81 116.67 121.19 3ehw s ASP 95 Ca 0.29 -1.25 0.00 0.00 2.13 0.00 0.00 52.55 53.72 3ehw s ASP 95 Cb -0.18 0.10 -0.00 0.00 -1.45 0.00 0.00 42.92 41.39 3ehw s ASP 95 CO 0.16 -0.60 -0.15 -0.69 0.13 0.00 0.00 175.17 174.01 3ehw s VAL 96 N -3.62 2.63 0.63 1.11 1.01 -1.26 -0.20 120.40 120.70 3ehw s VAL 96 Ca 0.29 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3ehw s VAL 96 Cb 0.06 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.43 3ehw s VAL 96 CO 0.08 0.52 0.87 -0.83 0.00 0.00 0.00 175.10 175.74 3ehw s GLY 97 N 0.84 1.76 0.00 4.51 0.00 0.49 -4.86 107.32 110.07 3ehw s GLY 97 Ca -0.05 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.78 3ehw s GLY 97 CO -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 173.10 171.69 3ehw n ALA 98 N -2.50 0.00 0.00 3.20 0.00 -1.26 -4.36 120.51 115.59 3ehw n ALA 98 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ehw n ALA 98 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.47 3.39 0.00 0.00 -1.26 -4.92 105.19 102.86 3ehw n GLY 99 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 4.97 -0.24 1.61 1.01 -1.26 0.16 120.40 124.65 3ehw s VAL 100 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.22 3ehw s VAL 100 Cb 0.00 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 3ehw s VAL 100 CO 0.00 -1.25 0.65 -0.63 0.00 0.00 0.00 175.10 173.87 3ehw s ILE 101 N 2.09 4.97 0.39 2.22 -1.09 0.73 -4.98 121.20 125.54 3ehw s ILE 101 Ca 0.21 1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 59.63 3ehw s ILE 101 Cb -0.14 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.69 3ehw s ILE 101 CO -0.03 0.03 0.87 -1.81 -1.23 0.00 0.00 174.94 172.77 3ehw s ASP 102 N 1.42 6.86 0.48 3.58 1.11 -1.26 -1.28 116.67 127.57 3ehw s ASP 102 Ca 0.27 1.53 0.24 0.00 0.18 0.00 0.00 52.55 54.78 3ehw s ASP 102 Cb -0.16 -2.47 1.28 0.00 1.07 0.00 0.00 42.92 42.64 3ehw s ASP 102 CO 0.09 -0.31 1.87 -0.08 1.18 0.00 0.00 175.17 177.92 3ehw h GLU 103 N 2.00 0.20 -0.67 8.23 4.81 -1.94 -1.17 114.58 126.04 3ehw h GLU 103 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3ehw h GLU 103 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ehw h GLU 103 CO 0.63 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.64 3ehw n ASP 104 N -4.40 3.71 -4.71 1.04 5.68 -1.26 -4.47 116.55 112.14 3ehw n ASP 104 Ca 0.19 -2.07 -0.41 0.00 -0.50 0.00 0.00 54.79 52.00 3ehw n ASP 104 Cb 0.83 -0.46 -0.04 0.00 -1.14 0.00 0.00 41.12 40.31 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 -1.23 3.58 0.00 2.11 5.04 -0.45 -4.92 117.35 121.49 3ehw s TYR 105 Ca 0.45 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.52 3ehw s TYR 105 Cb 0.24 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.58 3ehw s TYR 105 CO 0.29 -0.01 0.89 0.54 -1.34 0.00 0.00 175.55 175.92 3ehw n ARG 106 N 4.08 2.27 -1.87 4.97 5.12 -1.26 -4.54 116.66 125.44 3ehw n ARG 106 Ca 0.03 -1.29 -0.20 0.00 -1.93 0.00 0.00 57.85 54.46 3ehw n ARG 106 Cb 0.51 -0.96 0.12 0.00 -1.16 0.00 0.00 32.46 30.96 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 -0.40 -0.14 3.70 -0.13 0.00 -1.26 -4.84 105.19 102.13 3ehw n GLY 107 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.37 6.46 -0.30 1.61 3.84 -1.26 -4.27 114.94 116.66 3ehw s ASN 108 Ca 0.54 2.72 -0.29 0.00 0.21 0.00 0.00 52.86 56.04 3ehw s ASN 108 Cb -0.02 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 3ehw s ASN 108 CO 0.36 -0.95 1.23 -0.69 -2.79 0.00 0.00 177.10 174.26 3ehw s VAL 109 N 2.12 4.25 -0.14 -5.21 1.01 0.25 -4.96 120.40 117.73 3ehw s VAL 109 Ca 0.77 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 64.14 3ehw s VAL 109 Cb -0.46 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3ehw s VAL 109 CO 0.34 -0.46 0.00 -0.83 0.00 0.00 0.00 175.10 174.16 3ehw s GLY 110 N 2.40 1.82 -0.29 4.51 0.00 -1.26 -2.16 107.32 112.34 3ehw s GLY 110 Ca 0.53 -0.79 -0.14 0.00 0.00 0.00 0.00 44.72 44.32 3ehw s GLY 110 CO 0.20 -0.20 0.31 0.14 0.00 0.00 0.00 173.10 173.55 3ehw s VAL 111 N -0.06 5.22 -0.58 1.40 1.01 0.34 -4.88 120.40 122.85 3ehw s VAL 111 Ca 0.04 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 3ehw s VAL 111 Cb -0.13 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.64 3ehw s VAL 111 CO 0.02 0.12 0.82 -0.69 0.00 0.00 0.00 175.10 175.37 3ehw s VAL 112 N 1.95 4.57 -0.13 2.92 1.01 -1.26 0.16 120.40 129.62 3ehw s VAL 112 Ca 0.11 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3ehw s VAL 112 Cb -0.16 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 3ehw s VAL 112 CO 0.11 -1.13 0.41 -0.76 0.00 0.00 0.00 175.10 173.72 3ehw s LEU 113 N 3.42 4.28 -0.18 3.92 1.43 -0.21 -0.38 118.68 130.96 3ehw s LEU 113 Ca 0.21 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3ehw s LEU 113 Cb -0.18 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3ehw s LEU 113 CO 0.12 0.06 0.02 -0.36 0.23 0.00 0.00 176.35 176.43 3ehw s PHE 114 N 0.45 3.13 -0.58 0.29 2.99 0.72 -1.88 117.98 123.11 3ehw s PHE 114 Ca 0.22 -0.17 -0.11 0.00 0.00 0.00 0.00 56.93 56.88 3ehw s PHE 114 Cb -0.14 -2.06 0.15 0.00 0.00 0.00 0.00 43.02 40.96 3ehw s PHE 114 CO 0.08 -0.02 0.48 1.21 -0.00 0.00 0.00 175.22 176.98 3ehw s ASN 115 N 0.60 5.99 0.00 1.36 3.04 -0.16 -0.62 114.94 125.15 3ehw s ASN 115 Ca 0.01 -2.16 0.24 0.00 0.04 0.00 0.00 52.86 50.99 3ehw s ASN 115 Cb -0.14 -2.08 0.92 0.00 -1.54 0.00 0.00 41.25 38.41 3ehw s ASN 115 CO 0.02 -0.67 1.65 0.49 -3.04 0.00 0.00 177.10 175.55 3ehw n PHE 116 N 4.62 0.12 -1.77 0.43 3.72 -0.65 0.03 117.46 123.96 3ehw n PHE 116 Ca -0.03 -0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 3ehw n PHE 116 Cb 0.41 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.74 1.61 0.27 1.37 0.00 -1.24 -4.65 107.32 102.93 3ehw s GLY 117 Ca 0.35 -0.70 0.26 0.00 0.00 0.00 0.00 44.72 44.62 3ehw s GLY 117 CO 0.29 -0.14 1.75 0.50 0.00 0.00 0.00 173.10 175.50 3ehw h LYS 118 N -1.32 0.00 -6.24 2.90 1.57 -1.92 -3.23 116.57 108.32 3ehw h LYS 118 Ca -0.47 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.75 3ehw h LYS 118 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 3ehw h LYS 118 CO 0.60 0.00 -0.60 -1.21 -0.57 0.00 0.00 179.45 177.67 3ehw s GLU 119 N -3.19 2.64 0.59 3.15 0.41 -1.26 -4.72 118.70 116.32 3ehw s GLU 119 Ca 0.08 -1.09 -0.18 0.00 -0.41 0.00 0.00 54.97 53.38 3ehw s GLU 119 Cb 0.10 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 3ehw s GLU 119 CO 0.56 0.43 1.12 -1.59 -0.49 0.00 0.00 175.26 175.29 3ehw s LYS 120 N -3.34 3.15 -0.16 1.61 -2.85 -1.26 -3.80 119.74 113.10 3ehw s LYS 120 Ca 0.30 1.51 0.02 0.00 -1.00 0.00 0.00 55.97 56.80 3ehw s LYS 120 Cb -0.09 -1.99 0.01 0.00 -2.06 0.00 0.00 37.83 33.71 3ehw s LYS 120 CO 0.22 -0.99 -0.20 0.12 0.10 0.00 0.00 175.35 174.59 3ehw s PHE 121 N -2.00 2.74 -0.18 1.78 2.19 0.90 -4.94 117.98 118.46 3ehw s PHE 121 Ca 0.70 -1.49 -0.17 0.00 0.33 0.00 0.00 56.93 56.30 3ehw s PHE 121 Cb -0.22 -1.88 -0.04 0.00 -1.31 0.00 0.00 43.02 39.57 3ehw s PHE 121 CO 0.32 -0.71 0.47 -1.21 1.83 0.00 0.00 175.22 175.92 3ehw s GLU 122 N 1.08 4.22 -0.20 10.12 0.41 -1.26 -0.65 118.70 132.42 3ehw s GLU 122 Ca -0.00 0.35 -0.06 0.00 -0.41 0.00 0.00 54.97 54.85 3ehw s GLU 122 Cb -0.14 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 3ehw s GLU 122 CO -0.08 -0.04 0.02 0.08 -0.49 0.00 0.00 175.26 174.76 3ehw s VAL 123 N 1.27 4.26 0.05 2.63 1.01 0.49 -4.99 120.40 125.12 3ehw s VAL 123 Ca 0.23 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3ehw s VAL 123 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3ehw s VAL 123 CO 0.09 0.43 0.01 -0.54 0.00 0.00 0.00 175.10 175.09 3ehw s LYS 124 N 0.80 2.68 0.09 2.72 -0.14 -1.26 -0.43 119.74 124.20 3ehw s LYS 124 Ca 0.02 -0.73 -0.36 0.00 -1.36 0.00 0.00 55.97 53.54 3ehw s LYS 124 Cb -0.14 -2.61 -0.17 0.00 -1.68 0.00 0.00 37.83 33.23 3ehw s LYS 124 CO 0.02 0.58 1.25 1.17 -0.76 0.00 0.00 175.35 177.61 3ehw n LYS 125 N 0.93 0.94 -0.43 1.68 4.81 -1.11 -1.22 118.16 123.75 3ehw n LYS 125 Ca -0.12 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3ehw n LYS 125 Cb 0.52 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 2.26 1.10 3.74 3.14 0.00 0.13 -4.95 105.19 110.61 3ehw n GLY 126 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.06 7.19 -0.50 1.61 1.01 -0.36 -4.75 116.67 117.80 3ehw s ASP 127 Ca 0.00 2.17 -0.24 0.00 0.71 0.00 0.00 52.55 55.19 3ehw s ASP 127 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3ehw s ASP 127 CO 0.00 -0.28 0.90 -0.13 0.21 0.00 0.00 175.17 175.87 3ehw s ARG 128 N -0.43 3.40 0.00 8.23 0.52 -1.26 -0.57 118.95 128.85 3ehw s ARG 128 Ca 0.50 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 3ehw s ARG 128 Cb -0.31 -3.99 0.01 0.00 0.52 0.00 0.00 34.95 31.18 3ehw s ARG 128 CO 0.36 -1.32 0.84 0.44 0.02 0.00 0.00 175.30 175.64 3ehw n ILE 129 N 6.24 0.66 -3.84 1.52 -6.64 -0.65 -4.95 119.36 111.70 3ehw n ILE 129 Ca 0.03 -0.83 -0.02 0.00 -1.77 0.00 0.00 62.75 60.16 3ehw n ILE 129 Cb 0.48 0.67 0.01 0.00 -1.44 0.00 0.00 39.64 39.36 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 -0.68 -1.77 0.04 -1.28 0.00 -1.25 -4.67 121.76 112.16 3ehw s ALA 130 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3ehw s ALA 130 Cb 0.01 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3ehw s ALA 130 CO 0.01 -1.07 -0.05 1.14 0.00 0.00 0.00 175.76 175.78 3ehw s GLN 131 N -2.39 0.47 -0.23 0.00 -2.07 0.12 -1.06 119.66 114.50 3ehw s GLN 131 Ca 0.20 -0.79 -0.06 0.00 -1.82 0.00 0.00 55.36 52.89 3ehw s GLN 131 Cb -0.01 -0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 31.82 3ehw s GLN 131 CO 0.03 -0.01 0.02 -1.17 -1.32 0.00 0.00 175.29 172.84 3ehw s LEU 132 N -1.79 3.22 -0.13 2.60 2.96 0.25 0.06 118.68 125.85 3ehw s LEU 132 Ca -0.09 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3ehw s LEU 132 Cb -0.07 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3ehw s LEU 132 CO -0.02 -0.00 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.30 3ehw s ILE 133 N 1.41 3.53 -1.18 6.68 1.01 0.13 -0.12 121.20 132.66 3ehw s ILE 133 Ca 0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 3ehw s ILE 133 Cb -0.15 -2.50 0.13 0.00 0.01 0.00 0.00 42.46 39.95 3ehw s ILE 133 CO 0.01 0.53 1.47 0.00 0.00 0.00 0.00 174.94 176.95 3ehw s GLU 135 N 2.68 4.28 0.13 0.00 0.41 -0.39 -4.86 118.70 120.94 3ehw s GLU 135 Ca 0.44 1.55 -0.30 0.00 -0.41 0.00 0.00 54.97 56.25 3ehw s GLU 135 Cb -0.01 -3.67 -0.07 0.00 -1.78 0.00 0.00 34.13 28.60 3ehw s GLU 135 CO -0.00 -0.60 1.14 1.03 -0.49 0.00 0.00 175.26 176.34 3ehw s ARG 136 N 3.04 4.52 0.10 1.61 0.52 -1.26 -1.43 118.95 126.04 3ehw s ARG 136 Ca 0.51 1.75 -0.03 0.00 -0.52 0.00 0.00 55.73 57.44 3ehw s ARG 136 Cb -0.20 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 3ehw s ARG 136 CO 0.14 -0.07 0.06 0.96 0.02 0.00 0.00 175.30 176.41 3ehw s ILE 137 N 0.27 0.15 0.15 1.52 -4.36 -0.79 -4.95 121.20 113.20 3ehw s ILE 137 Ca 0.53 -1.71 -0.05 0.00 -0.26 0.00 0.00 60.65 59.16 3ehw s ILE 137 Cb -0.30 -1.71 -0.06 0.00 1.25 0.00 0.00 42.46 41.64 3ehw s ILE 137 CO 0.33 -0.69 0.40 -0.36 0.24 0.00 0.00 174.94 174.86 3ehw s PHE 138 N -3.96 3.47 -0.89 1.37 2.99 -1.26 -4.65 117.98 115.05 3ehw s PHE 138 Ca 0.14 0.59 -0.00 0.00 0.00 0.00 0.00 56.93 57.65 3ehw s PHE 138 Cb 0.07 -2.03 0.25 0.00 0.00 0.00 0.00 43.02 41.31 3ehw s PHE 138 CO -0.05 0.41 0.97 0.66 -0.00 0.00 0.00 175.22 177.21 3ehw n TYR 139 N 0.04 3.60 -2.79 0.36 4.01 -1.26 -5.08 117.16 116.04 3ehw n TYR 139 Ca -0.02 -3.73 -0.34 0.00 -0.16 0.00 0.00 57.90 53.65 3ehw n TYR 139 Cb 0.52 -1.04 -0.07 0.00 -0.31 0.00 0.00 39.34 38.45 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 -2.04 4.24 0.37 -0.72 0.04 -1.26 -5.02 135.00 130.62 3ehw s PRO 140 Ca 0.32 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 3ehw s PRO 140 Cb 0.02 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3ehw s PRO 140 CO -0.04 -0.02 1.15 -1.21 0.04 0.00 0.00 177.00 176.93 3ehw s GLU 141 N -3.02 4.22 -0.02 4.56 0.41 -1.26 -5.02 118.70 118.57 3ehw s GLU 141 Ca 0.61 1.83 -0.12 0.00 -0.41 0.00 0.00 54.97 56.88 3ehw s GLU 141 Cb -0.11 -2.80 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 3ehw s GLU 141 CO 0.15 -0.17 0.34 -1.50 -0.49 0.00 0.00 175.26 173.58 3ehw s ILE 142 N -1.36 5.16 -0.04 -1.63 2.07 -1.26 -5.08 121.20 119.06 3ehw s ILE 142 Ca 0.54 0.60 -0.00 0.00 -1.41 0.00 0.00 60.65 60.37 3ehw s ILE 142 Cb -0.31 -3.62 0.03 0.00 0.13 0.00 0.00 42.46 38.69 3ehw s ILE 142 CO 0.39 0.54 0.01 -0.70 -1.91 0.00 0.00 174.94 173.27 3ehw s GLU 143 N -1.22 0.32 0.03 3.50 2.12 -1.26 -5.13 118.70 117.07 3ehw s GLU 143 Ca 0.23 0.13 -0.24 0.00 0.36 0.00 0.00 54.97 55.46 3ehw s GLU 143 Cb -0.15 -0.61 -0.06 0.00 0.26 0.00 0.00 34.13 33.57 3ehw s GLU 143 CO 0.12 -0.21 0.71 -2.00 -0.54 0.00 0.00 175.26 173.34 3ehw s GLU 144 N 1.46 4.44 0.27 4.30 2.12 -1.26 -5.06 118.70 124.97 3ehw s GLU 144 Ca -0.04 0.97 0.03 0.00 0.36 0.00 0.00 54.97 56.29 3ehw s GLU 144 Cb -0.13 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 3ehw s GLU 144 CO -0.03 0.32 0.04 0.14 -0.54 0.00 0.00 175.26 175.19 3ehw s VAL 145 N -0.14 1.03 0.02 3.70 -7.23 -1.26 -5.07 120.40 111.46 3ehw s VAL 145 Ca 0.36 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 3ehw s VAL 145 Cb -0.20 -2.58 -0.33 0.00 0.56 0.00 0.00 36.38 33.83 3ehw s VAL 145 CO 0.21 -0.13 0.95 0.06 -0.31 0.00 0.00 175.10 175.88 3ehw h GLN 146 N 2.31 0.45 -3.27 4.82 -0.00 -2.09 -3.47 115.11 113.87 3ehw h GLN 146 Ca -0.39 -0.77 -0.18 0.00 -0.00 0.00 0.00 58.65 57.31 3ehw h GLN 146 Cb 1.24 0.29 -0.27 0.00 -0.00 0.00 0.00 27.48 28.74 3ehw h GLN 146 CO 0.66 1.36 -0.50 0.00 -0.00 0.00 0.00 178.83 180.34 3ehw s ALA 147 N -2.61 -0.46 0.27 0.06 0.00 -1.26 -5.16 121.76 112.60 3ehw s ALA 147 Ca -0.09 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 3ehw s ALA 147 Cb 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3ehw s ALA 147 CO 0.91 -0.10 0.47 -0.51 0.00 0.00 0.00 175.76 176.54 3ehw s LEU 148 N 0.21 4.13 0.83 0.00 1.43 -1.26 -5.08 118.68 118.94 3ehw s LEU 148 Ca -0.01 0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 3ehw s LEU 148 Cb -0.02 -3.27 0.10 0.00 0.03 0.00 0.00 46.19 43.03 3ehw s LEU 148 CO -0.01 -0.16 1.16 1.51 0.23 0.00 0.00 176.35 179.08 3ehw s ASP 149 N -3.51 3.59 0.41 2.29 -4.77 -1.26 -5.01 116.67 108.41 3ehw s ASP 149 Ca 0.40 2.18 -0.05 0.00 -3.30 0.00 0.00 52.55 51.77 3ehw s ASP 149 Cb -0.10 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.12 3ehw s ASP 149 CO 0.31 -2.66 0.70 -1.81 0.70 0.00 0.00 175.17 172.42 3ehw s ASP 150 N -2.59 6.36 0.21 2.11 1.01 -1.26 -5.10 116.67 117.41 3ehw s ASP 150 Ca 0.68 0.86 0.02 0.00 0.71 0.00 0.00 52.55 54.82 3ehw s ASP 150 Cb -0.24 -2.21 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3ehw s ASP 150 CO 0.54 -0.42 0.02 0.42 0.21 0.00 0.00 175.17 175.93 3ehw s THR 151 N -2.47 0.82 0.11 -1.27 -4.23 -1.26 -5.03 115.64 102.31 3ehw s THR 151 Ca 0.46 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.77 3ehw s THR 151 Cb -0.10 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.35 3ehw s THR 151 CO 0.38 -0.33 1.71 -0.08 -0.54 0.00 0.00 174.62 175.76 3ehw h GLU 152 N 2.54 0.26 -0.91 3.99 4.22 -2.06 -2.23 114.58 120.40 3ehw h GLU 152 Ca -0.38 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.10 3ehw h GLU 152 Cb 1.22 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 3ehw h GLU 152 CO 0.63 0.24 0.57 -0.09 -2.18 0.00 0.00 179.01 178.19 3ehw h ARG 153 N 0.21 1.01 0.00 1.92 2.43 -1.97 -3.47 114.38 114.51 3ehw h ARG 153 Ca 0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ehw h ARG 153 Cb 0.05 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3ehw h ARG 153 CO -0.01 0.67 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 3ehw n GLY 154 N -1.34 3.65 0.55 2.80 0.00 -0.84 -1.66 105.19 108.34 3ehw n GLY 154 Ca 0.13 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 5.42 1.60 -4.68 1.61 3.41 -1.26 -4.92 113.62 114.80 3ehw n SER 155 Ca 0.00 -1.86 -0.44 0.00 -0.26 0.00 0.00 58.87 56.32 3ehw n SER 155 Cb 0.00 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.04 1.61 3.82 5.00 0.00 -0.67 -4.95 105.19 111.05 3ehw n GLY 156 Ca 0.13 0.74 -0.08 0.00 0.00 0.00 0.00 46.02 46.81 3ehw n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ehw s GLY 157 N 2.90 0.32 -1.35 -0.02 0.00 -1.26 -4.94 107.32 102.96 3ehw s GLY 157 Ca 0.84 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.86 3ehw s GLY 157 CO 0.40 0.21 0.73 0.69 0.00 0.00 0.00 173.10 175.13 3ehw n PHE 158 N -0.56 -1.96 -0.41 1.90 3.72 -1.26 -2.14 117.46 116.75 3ehw n PHE 158 Ca -0.07 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 3ehw n PHE 158 Cb 0.60 -4.28 0.00 0.00 -0.94 0.00 0.00 39.48 34.86 3ehw n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ehw n GLY 159 N -1.63 0.78 0.32 1.37 0.00 -1.26 -4.97 105.19 99.81 3ehw n GLY 159 Ca -0.24 -0.11 0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.14 1.61 4.64 -1.79 -1.02 113.55 117.13 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 -0.18 0.35 -0.87 0.00 0.00 176.83 176.13 3ehw n THR 161 N -3.57 0.00 -0.27 2.95 -2.24 -1.26 -5.00 114.28 104.88 3ehw n THR 161 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3ehw n THR 161 Cb 0.18 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.29 -2.60 0.04 3.38 0.00 -0.39 -4.81 105.19 102.10 3ehw n GLY 162 Ca 0.14 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.04 0.72 0.00 1.61 4.76 -1.26 -4.95 118.16 119.01 3ehw n LYS 163 Ca 0.00 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3ehw n LYS 163 Cb 0.00 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 3ehw n LYS 163 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30