#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ehw s GLN 25 N 0.00 4.02 -0.42 0.03 1.11 -1.26 -4.79 119.66 118.35 3ehw s GLN 25 Ca 0.00 1.10 -0.19 0.00 0.01 0.00 0.00 55.36 56.28 3ehw s GLN 25 Cb 0.00 -2.14 0.02 0.00 -1.01 0.00 0.00 33.01 29.87 3ehw s GLN 25 CO 0.00 -0.21 0.57 -1.17 0.01 0.00 0.00 175.29 174.48 3ehw s LEU 26 N -3.60 4.58 -0.04 2.90 2.96 -1.26 -3.81 118.68 120.40 3ehw s LEU 26 Ca 0.62 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 54.06 3ehw s LEU 26 Cb -0.11 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 3ehw s LEU 26 CO 0.22 -0.68 0.25 -0.13 -1.32 0.00 0.00 176.35 174.69 3ehw s ARG 27 N 2.56 3.61 0.06 1.98 0.52 -1.07 -4.97 118.95 121.64 3ehw s ARG 27 Ca 0.19 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.36 3ehw s ARG 27 Cb -0.15 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 3ehw s ARG 27 CO 0.17 0.71 0.10 -0.59 0.02 0.00 0.00 175.30 175.71 3ehw s PHE 28 N -1.15 0.27 -0.00 -0.53 -0.12 -1.26 -0.24 117.98 114.95 3ehw s PHE 28 Ca 0.22 -0.71 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 3ehw s PHE 28 Cb -0.14 -0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.07 3ehw s PHE 28 CO 0.11 -0.45 -0.07 0.00 -0.05 0.00 0.00 175.22 174.76 3ehw s ALA 29 N -3.58 0.59 0.09 1.99 0.00 -0.47 -4.99 121.76 115.39 3ehw s ALA 29 Ca 0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3ehw s ALA 29 Cb 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 3ehw s ALA 29 CO -0.09 0.14 1.16 1.03 0.00 0.00 0.00 175.76 178.00 3ehw s ARG 30 N -0.23 4.48 0.02 0.00 0.52 -1.26 -1.43 118.95 121.05 3ehw s ARG 30 Ca 0.02 1.74 0.23 0.00 -0.52 0.00 0.00 55.73 57.21 3ehw s ARG 30 Cb -0.03 -3.33 0.20 0.00 0.52 0.00 0.00 34.95 32.30 3ehw s ARG 30 CO -0.00 -0.15 1.17 1.28 0.02 0.00 0.00 175.30 177.62 3ehw n LEU 31 N 3.46 0.65 -3.86 2.53 4.77 0.19 -4.93 117.00 119.80 3ehw n LEU 31 Ca 0.07 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 3ehw n LEU 31 Cb 0.47 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3ehw n LEU 31 CO 0.55 0.11 0.40 -0.94 -1.33 0.00 0.00 177.39 176.18 3ehw s SER 32 N -3.40 -0.24 0.00 -1.43 1.04 -1.24 -5.02 113.70 103.41 3ehw s SER 32 Ca 0.08 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 55.94 3ehw s SER 32 Cb 0.16 0.69 0.29 0.00 0.10 0.00 0.00 66.02 67.26 3ehw s SER 32 CO 0.77 -1.28 1.22 -1.84 0.98 0.00 0.00 173.24 173.09 3ehw n GLU 33 N -0.43 0.00 0.00 4.02 0.28 -1.26 -2.96 120.64 120.28 3ehw n GLU 33 Ca -0.04 0.38 0.12 0.00 -0.16 0.00 0.00 57.16 57.46 3ehw n GLU 33 Cb 0.60 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 32.22 3ehw n GLU 33 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3ehw n HIS 34 N -1.50 0.00 -2.40 -1.84 8.25 -1.26 -4.89 115.22 111.57 3ehw n HIS 34 Ca 0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 3ehw n HIS 34 Cb 0.08 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.91 2.85 -0.05 -1.41 0.00 -1.16 -4.35 121.76 114.74 3ehw s ALA 35 Ca 0.13 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3ehw s ALA 35 Cb 0.18 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3ehw s ALA 35 CO 0.68 -0.43 -0.20 0.99 0.00 0.00 0.00 175.76 176.79 3ehw s THR 36 N -2.15 1.66 0.05 0.00 2.01 -1.26 -5.04 115.64 110.91 3ehw s THR 36 Ca 0.66 -0.85 -0.34 0.00 0.31 0.00 0.00 61.69 61.47 3ehw s THR 36 Cb -0.16 -1.42 -0.13 0.00 0.01 0.00 0.00 72.50 70.80 3ehw s THR 36 CO 0.25 0.47 1.71 0.00 -0.69 0.00 0.00 174.62 176.36 3ehw n ALA 37 N 3.09 1.15 -1.51 7.40 0.00 -1.26 -4.68 120.51 124.70 3ehw n ALA 37 Ca -0.18 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 3ehw n ALA 37 Cb 0.53 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 17.63 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 4.82 0.74 -4.01 0.00 -0.02 -1.26 -4.97 135.00 130.30 3ehw n PRO 38 Ca 0.19 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3ehw n PRO 38 Cb 0.29 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.64 0.26 -0.07 3.45 -4.23 -1.17 -4.89 115.64 107.35 3ehw s THR 39 Ca 0.77 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 3ehw s THR 39 Cb -0.37 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 3ehw s THR 39 CO 0.47 -0.28 0.74 -0.60 -0.54 0.00 0.00 174.62 174.41 3ehw s ARG 40 N -1.02 4.43 0.34 3.99 6.06 -1.26 0.41 118.95 131.90 3ehw s ARG 40 Ca -0.09 0.95 0.12 0.00 -2.50 0.00 0.00 55.73 54.21 3ehw s ARG 40 Cb -0.07 -3.47 0.61 0.00 0.06 0.00 0.00 34.95 32.09 3ehw s ARG 40 CO -0.00 -0.00 1.77 0.78 -2.50 0.00 0.00 175.30 175.34 3ehw h GLY 41 N 6.99 0.02 -2.71 8.12 0.00 -1.94 -3.46 103.07 110.11 3ehw h GLY 41 Ca -0.39 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3ehw h GLY 41 CO 0.76 0.02 -0.39 -1.35 0.00 0.00 0.00 176.54 175.58 3ehw s SER 42 N -6.91 0.09 0.28 0.19 1.04 -1.26 -5.02 113.70 102.10 3ehw s SER 42 Ca -0.03 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.42 3ehw s SER 42 Cb 0.14 0.42 0.59 0.00 0.10 0.00 0.00 66.02 67.26 3ehw s SER 42 CO 0.74 -0.88 1.78 0.00 0.98 0.00 0.00 173.24 175.86 3ehw h ALA 43 N 2.59 1.42 -0.15 5.32 0.00 -2.02 -1.98 119.26 124.44 3ehw h ALA 43 Ca -0.32 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3ehw h ALA 43 Cb 1.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3ehw h ALA 43 CO 0.50 -0.02 -0.30 0.54 0.00 0.00 0.00 179.25 179.97 3ehw n ARG 44 N -4.79 1.70 -1.79 0.00 5.12 -1.26 -5.03 116.66 110.60 3ehw n ARG 44 Ca 0.19 -3.22 -0.42 0.00 -1.93 0.00 0.00 57.85 52.47 3ehw n ARG 44 Cb 0.45 -1.70 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 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 -3.22 3.82 0.48 7.54 0.00 -0.75 -4.89 121.76 124.74 3ehw s ALA 45 Ca 0.40 1.54 0.23 0.00 0.00 0.00 0.00 51.96 54.14 3ehw s ALA 45 Cb 0.38 -3.66 1.41 0.00 0.00 0.00 0.00 23.12 21.26 3ehw s ALA 45 CO -0.04 -0.92 2.11 0.00 0.00 0.00 0.00 175.76 176.91 3ehw h ALA 46 N 5.88 1.53 -3.25 0.00 0.00 -1.96 -3.45 119.26 118.01 3ehw h ALA 46 Ca -0.45 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 53.73 3ehw h ALA 46 Cb 1.21 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 3ehw h ALA 46 CO 0.87 0.12 -0.83 0.20 0.00 0.00 0.00 179.25 179.62 3ehw s GLY 47 N -4.16 1.68 -0.21 0.00 0.00 -1.26 -4.37 107.32 98.99 3ehw s GLY 47 Ca -0.04 -1.61 -0.18 0.00 0.00 0.00 0.00 44.72 42.88 3ehw s GLY 47 CO 0.61 -1.64 0.52 -0.19 0.00 0.00 0.00 173.10 172.41 3ehw s TYR 48 N -1.63 3.35 0.29 1.90 1.51 -0.37 -4.41 117.35 117.99 3ehw s TYR 48 Ca 0.20 0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 56.72 3ehw s TYR 48 Cb -0.08 -2.69 -0.10 0.00 -0.11 0.00 0.00 41.96 38.98 3ehw s TYR 48 CO 0.09 -0.15 1.32 -0.51 -1.11 0.00 0.00 175.55 175.19 3ehw s ASP 49 N 1.24 6.81 -0.14 2.29 1.01 0.17 0.04 116.67 128.08 3ehw s ASP 49 Ca 0.24 2.60 -0.05 0.00 0.71 0.00 0.00 52.55 56.05 3ehw s ASP 49 Cb -0.15 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.10 3ehw s ASP 49 CO 0.09 -0.54 0.02 -0.76 0.21 0.00 0.00 175.17 174.20 3ehw s LEU 50 N -1.21 3.63 -0.14 1.23 1.43 0.18 -3.03 118.68 120.76 3ehw s LEU 50 Ca 0.52 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 3ehw s LEU 50 Cb -0.39 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3ehw s LEU 50 CO 0.48 0.25 0.03 -0.31 0.23 0.00 0.00 176.35 177.02 3ehw s TYR 51 N -0.10 3.20 0.26 0.29 2.02 -1.26 -1.32 117.35 120.44 3ehw s TYR 51 Ca 0.05 0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 3ehw s TYR 51 Cb -0.12 -1.96 -0.10 0.00 -0.40 0.00 0.00 41.96 39.37 3ehw s TYR 51 CO 0.02 0.24 1.48 0.45 -1.57 0.00 0.00 175.55 176.17 3ehw s SER 52 N -0.10 6.57 0.00 2.29 0.15 -0.40 -4.53 113.70 117.69 3ehw s SER 52 Ca 0.05 2.75 0.27 0.00 0.70 0.00 0.00 55.95 59.72 3ehw s SER 52 Cb -0.12 -2.63 0.82 0.00 -1.71 0.00 0.00 66.02 62.38 3ehw s SER 52 CO 0.02 -0.76 1.63 0.00 1.20 0.00 0.00 173.24 175.33 3ehw n ALA 53 N 2.23 3.05 -2.13 5.45 0.00 -0.57 -0.14 120.51 128.41 3ehw n ALA 53 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3ehw n ALA 53 Cb 0.39 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.94 0.70 0.19 0.00 2.02 -1.26 -4.76 117.35 111.29 3ehw s TYR 54 Ca 0.14 -1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 55.46 3ehw s TYR 54 Cb 0.18 -0.45 -0.08 0.00 -0.40 0.00 0.00 41.96 41.21 3ehw s TYR 54 CO 0.62 -0.37 0.97 -0.51 -1.57 0.00 0.00 175.55 174.70 3ehw s ASP 55 N -2.99 7.53 -0.01 2.29 1.01 -1.26 -2.91 116.67 120.33 3ehw s ASP 55 Ca 0.13 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.33 3ehw s ASP 55 Cb 0.07 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.40 3ehw s ASP 55 CO -0.05 0.02 -0.05 -0.31 0.21 0.00 0.00 175.17 174.98 3ehw s TYR 56 N -0.64 0.51 -0.32 4.23 2.02 0.24 -4.96 117.35 118.43 3ehw s TYR 56 Ca 0.44 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 57.00 3ehw s TYR 56 Cb -0.26 -0.35 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 3ehw s TYR 56 CO 0.32 -0.03 0.07 0.99 -1.57 0.00 0.00 175.55 175.33 3ehw s THR 57 N -0.01 3.53 -0.37 -0.71 2.01 -1.26 -0.75 115.64 118.07 3ehw s THR 57 Ca 0.01 -1.20 -0.14 0.00 0.31 0.00 0.00 61.69 60.67 3ehw s THR 57 Cb -0.03 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3ehw s THR 57 CO -0.00 -0.14 0.26 -0.63 -0.69 0.00 0.00 174.62 173.42 3ehw s ILE 58 N 1.36 5.23 0.86 1.82 1.01 0.11 -4.93 121.20 126.65 3ehw s ILE 58 Ca -0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 3ehw s ILE 58 Cb -0.19 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.60 3ehw s ILE 58 CO 0.02 -0.14 1.14 -2.84 0.00 0.00 0.00 174.94 173.12 3ehw s PRO 59 N 1.69 1.44 0.31 2.79 0.02 -1.26 0.34 135.00 140.33 3ehw s PRO 59 Ca 0.05 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 3ehw s PRO 59 Cb -0.18 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 3ehw s PRO 59 CO 0.10 -2.31 1.28 -0.35 -0.33 0.00 0.00 177.00 175.39 3ehw n PRO 60 N -3.86 2.00 -3.77 5.54 -0.04 -1.26 -2.55 135.00 131.06 3ehw n PRO 60 Ca 0.12 0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 64.02 3ehw n PRO 60 Cb 0.52 -2.28 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 3ehw n PRO 60 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ehw n MET 61 N 0.94 -5.88 -4.25 0.54 2.81 0.84 -4.99 117.12 107.12 3ehw n MET 61 Ca 0.07 0.66 -0.15 0.00 -1.81 0.00 0.00 57.70 56.47 3ehw n MET 61 Cb 0.34 -5.50 -0.10 0.00 -0.71 0.00 0.00 33.22 27.26 3ehw n MET 61 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3ehw s GLU 62 N -6.32 1.39 0.21 0.03 -6.30 -1.06 -4.98 118.70 101.67 3ehw s GLU 62 Ca 0.43 -1.76 0.05 0.00 -2.50 0.00 0.00 54.97 51.19 3ehw s GLU 62 Cb -0.21 0.15 -0.05 0.00 0.00 0.00 0.00 34.13 34.02 3ehw s GLU 62 CO 0.80 -0.43 -0.06 -1.59 0.02 0.00 0.00 175.26 174.00 3ehw s LYS 63 N -3.97 1.28 -0.12 4.30 -2.85 -1.26 -0.67 119.74 116.45 3ehw s LYS 63 Ca 0.39 -1.61 -0.20 0.00 -1.00 0.00 0.00 55.97 53.55 3ehw s LYS 63 Cb 0.06 -0.74 0.05 0.00 -2.06 0.00 0.00 37.83 35.14 3ehw s LYS 63 CO 0.16 0.00 0.49 0.00 0.10 0.00 0.00 175.35 176.10 3ehw s ALA 64 N -3.29 -1.23 -0.48 0.59 0.00 -0.66 -4.96 121.76 111.72 3ehw s ALA 64 Ca 0.24 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 3ehw s ALA 64 Cb 0.04 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.79 3ehw s ALA 64 CO 0.06 -0.27 0.55 0.08 0.00 0.00 0.00 175.76 176.18 3ehw s VAL 65 N -0.44 4.98 -0.20 0.00 1.01 -1.26 -1.33 120.40 123.16 3ehw s VAL 65 Ca -0.06 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 3ehw s VAL 65 Cb -0.03 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3ehw s VAL 65 CO 0.03 -0.69 0.89 -0.69 0.00 0.00 0.00 175.10 174.65 3ehw s VAL 66 N 2.36 4.81 -0.01 2.92 1.01 0.12 -4.85 120.40 126.75 3ehw s VAL 66 Ca 0.13 1.73 -0.25 0.00 0.00 0.00 0.00 61.98 63.59 3ehw s VAL 66 Cb -0.20 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3ehw s VAL 66 CO 0.11 -0.06 0.78 -0.54 0.00 0.00 0.00 175.10 175.39 3ehw s LYS 67 N 2.63 4.49 0.20 2.72 1.02 -1.26 -0.24 119.74 129.29 3ehw s LYS 67 Ca 0.39 1.06 0.20 0.00 0.02 0.00 0.00 55.97 57.64 3ehw s LYS 67 Cb -0.16 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 3ehw s LYS 67 CO 0.10 0.13 1.08 1.79 -0.92 0.00 0.00 175.35 177.53 3ehw h THR 68 N 4.52 0.21 -4.36 2.17 1.35 -1.59 -1.51 112.91 113.71 3ehw h THR 68 Ca -0.42 -1.38 -0.35 0.00 -0.55 0.00 0.00 66.41 63.71 3ehw h THR 68 Cb 1.20 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 3ehw h THR 68 CO 0.74 0.12 -0.49 0.47 -0.25 0.00 0.00 175.52 176.11 3ehw n ASP 69 N -2.83 -4.66 -4.34 5.36 9.92 -1.26 -4.35 116.55 114.38 3ehw n ASP 69 Ca -0.02 -0.12 -0.27 0.00 -0.53 0.00 0.00 54.79 53.85 3ehw n ASP 69 Cb 0.65 -3.86 -0.13 0.00 -0.64 0.00 0.00 41.12 37.13 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 -2.90 2.02 0.04 0.53 -4.36 -1.26 0.53 121.20 115.80 3ehw s ILE 70 Ca 0.19 -1.61 0.03 0.00 -0.26 0.00 0.00 60.65 59.00 3ehw s ILE 70 Cb -0.09 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 3ehw s ILE 70 CO 0.24 0.08 0.02 0.00 0.24 0.00 0.00 174.94 175.52 3ehw s GLN 71 N -1.85 2.76 0.11 0.37 -2.07 -0.52 -0.84 119.66 117.62 3ehw s GLN 71 Ca 0.11 -0.68 0.07 0.00 -1.82 0.00 0.00 55.36 53.04 3ehw s GLN 71 Cb -0.10 -2.66 -0.03 0.00 -1.09 0.00 0.00 33.01 29.13 3ehw s GLN 71 CO 0.05 0.59 -0.19 0.96 -1.32 0.00 0.00 175.29 175.38 3ehw s ILE 72 N -1.23 1.57 -0.29 3.63 -4.36 -1.26 -1.36 121.20 117.90 3ehw s ILE 72 Ca 0.24 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 59.09 3ehw s ILE 72 Cb -0.12 -1.50 0.08 0.00 1.25 0.00 0.00 42.46 42.17 3ehw s ILE 72 CO 0.15 -0.16 -0.03 0.00 0.24 0.00 0.00 174.94 175.14 3ehw s ALA 73 N -1.39 2.61 0.29 2.27 0.00 0.67 -4.64 121.76 121.56 3ehw s ALA 73 Ca 0.06 -2.06 -0.29 0.00 0.00 0.00 0.00 51.96 49.68 3ehw s ALA 73 Cb -0.09 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 3ehw s ALA 73 CO 0.04 -1.43 1.03 -0.51 0.00 0.00 0.00 175.76 174.90 3ehw s LEU 74 N 1.06 4.51 0.59 0.00 1.43 -1.26 -2.61 118.68 122.40 3ehw s LEU 74 Ca 0.01 2.11 -0.20 0.00 -1.03 0.00 0.00 54.13 55.02 3ehw s LEU 74 Cb -0.19 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 3ehw s LEU 74 CO -0.07 -0.10 1.34 -2.16 0.23 0.00 0.00 176.35 175.59 3ehw s PRO 75 N -1.56 2.89 0.45 1.29 0.04 -1.25 -4.92 135.00 131.94 3ehw s PRO 75 Ca 0.46 2.18 -0.24 0.00 0.04 0.00 0.00 61.00 63.44 3ehw s PRO 75 Cb -0.28 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 3ehw s PRO 75 CO 0.35 -1.37 1.20 0.43 0.04 0.00 0.00 177.00 177.65 3ehw n SER 76 N -1.39 2.14 0.00 6.66 7.64 -1.26 -3.22 113.62 124.19 3ehw n SER 76 Ca 0.13 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3ehw n SER 76 Cb 0.46 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3ehw n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ehw n GLY 77 N 0.93 0.41 3.30 0.23 0.00 -1.26 -5.03 105.19 103.76 3ehw n GLY 77 Ca 0.08 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.92 2.02 -0.35 0.00 1.13 -0.64 -4.29 117.35 111.31 3ehw s TYR 79 Ca 0.12 -0.84 -0.14 0.00 -1.41 0.00 0.00 57.07 54.81 3ehw s TYR 79 Cb 0.03 -1.28 -0.01 0.00 -1.10 0.00 0.00 41.96 39.60 3ehw s TYR 79 CO -0.04 0.15 0.28 0.20 -2.51 0.00 0.00 175.55 173.62 3ehw s GLY 80 N -3.50 1.95 -0.26 5.49 0.00 0.47 -1.47 107.32 110.00 3ehw s GLY 80 Ca 0.34 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.54 3ehw s GLY 80 CO 0.14 0.84 0.37 -1.60 0.00 0.00 0.00 173.10 172.86 3ehw s ARG 81 N 1.79 4.03 -0.32 2.90 3.52 0.88 0.18 118.95 131.94 3ehw s ARG 81 Ca 0.07 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.44 3ehw s ARG 81 Cb -0.17 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.59 3ehw s ARG 81 CO 0.11 -0.25 1.18 0.08 -0.81 0.00 0.00 175.30 175.61 3ehw s VAL 82 N 1.98 4.32 0.14 7.11 1.01 0.08 0.16 120.40 135.20 3ehw s VAL 82 Ca 0.15 1.50 0.10 0.00 0.00 0.00 0.00 61.98 63.74 3ehw s VAL 82 Cb -0.16 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 3ehw s VAL 82 CO 0.10 -0.52 -0.24 0.00 0.00 0.00 0.00 175.10 174.44 3ehw s ALA 83 N 4.02 2.50 0.48 5.51 0.00 0.12 -4.64 121.76 129.75 3ehw s ALA 83 Ca 0.50 -1.47 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 3ehw s ALA 83 Cb -0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 3ehw s ALA 83 CO 0.20 0.53 1.03 -1.25 0.00 0.00 0.00 175.76 176.28 3ehw s PRO 84 N -2.20 3.86 0.36 0.00 0.04 -1.26 -0.81 135.00 134.99 3ehw s PRO 84 Ca 0.16 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 3ehw s PRO 84 Cb -0.10 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3ehw s PRO 84 CO 0.08 -0.38 0.87 1.03 0.04 0.00 0.00 177.00 178.64 3ehw s ARG 85 N -3.18 4.24 0.12 4.56 0.52 -1.26 -4.79 118.95 119.15 3ehw s ARG 85 Ca 0.66 1.01 0.01 0.00 -0.52 0.00 0.00 55.73 56.90 3ehw s ARG 85 Cb -0.16 -2.43 -0.17 0.00 0.52 0.00 0.00 34.95 32.71 3ehw s ARG 85 CO 0.20 0.12 1.26 0.66 0.02 0.00 0.00 175.30 177.55 3ehw h SER 86 N 2.38 0.25 0.27 0.23 4.64 -1.96 -2.23 113.55 117.12 3ehw h SER 86 Ca -0.48 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 60.58 3ehw h SER 86 Cb 1.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ehw h SER 86 CO 0.63 1.14 -0.13 1.23 -0.87 0.00 0.00 176.83 178.84 3ehw h GLY 87 N 2.07 -0.37 1.06 -0.77 0.00 -1.98 0.27 103.07 103.36 3ehw h GLY 87 Ca -0.07 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.44 3ehw h GLY 87 CO 0.16 -0.14 0.54 1.41 0.00 0.00 0.00 176.54 178.52 3ehw h LEU 88 N -0.53 0.88 0.49 3.11 3.38 -1.92 0.22 115.31 120.94 3ehw h LEU 88 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ehw h LEU 88 Cb 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ehw h LEU 88 CO 0.06 0.60 -0.23 0.00 0.09 0.00 0.00 178.44 178.96 3ehw h ALA 89 N 1.52 -0.65 -0.38 1.53 0.00 -1.18 -0.65 119.26 119.45 3ehw h ALA 89 Ca 0.33 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3ehw h ALA 89 Cb 0.04 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ehw h ALA 89 CO -0.10 -0.72 -0.19 0.00 0.00 0.00 0.00 179.25 178.24 3ehw h ALA 90 N -0.62 0.96 0.08 0.00 0.00 -0.28 -1.30 119.26 118.11 3ehw h ALA 90 Ca -0.07 -0.35 -0.34 0.00 0.00 0.00 0.00 54.91 54.16 3ehw h ALA 90 Cb 0.60 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ehw h ALA 90 CO 0.11 0.61 -1.90 1.63 0.00 0.00 0.00 179.25 179.70 3ehw n LYS 91 N -4.13 0.72 -0.00 0.00 5.02 0.77 -4.57 118.16 115.96 3ehw n LYS 91 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3ehw n LYS 91 Cb 0.40 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3ehw n LYS 91 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ehw n HIS 92 N -3.34 0.00 -3.04 2.13 8.25 -0.30 -4.99 115.22 113.94 3ehw n HIS 92 Ca -0.27 -0.44 -0.22 0.00 -0.26 0.00 0.00 57.72 56.53 3ehw n HIS 92 Cb 1.05 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 32.15 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 -0.44 -1.95 -3.34 4.41 -0.00 -0.49 -4.26 117.46 111.40 3ehw n PHE 93 Ca 0.00 0.51 -0.38 0.00 -0.00 0.00 0.00 57.45 57.58 3ehw n PHE 93 Cb 0.28 -4.38 -0.06 0.00 -0.00 0.00 0.00 39.48 35.33 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 -3.16 5.06 0.25 -2.13 -1.09 -0.93 -1.63 121.20 117.57 3ehw s ILE 94 Ca 0.31 1.00 0.02 0.00 -2.23 0.00 0.00 60.65 59.75 3ehw s ILE 94 Cb -0.14 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 3ehw s ILE 94 CO 0.38 0.42 0.06 -0.62 -1.23 0.00 0.00 174.94 173.95 3ehw s ASP 95 N -0.08 1.48 -0.18 3.58 3.68 -0.30 -3.70 116.67 121.15 3ehw s ASP 95 Ca 0.26 -1.33 -0.01 0.00 2.13 0.00 0.00 52.55 53.61 3ehw s ASP 95 Cb -0.16 0.09 -0.00 0.00 -1.45 0.00 0.00 42.92 41.40 3ehw s ASP 95 CO 0.13 -0.65 -0.12 -0.69 0.13 0.00 0.00 175.17 173.96 3ehw s VAL 96 N -3.62 2.81 0.64 1.11 1.01 -1.26 -0.14 120.40 120.96 3ehw s VAL 96 Ca 0.34 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3ehw s VAL 96 Cb 0.07 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.36 3ehw s VAL 96 CO 0.12 0.49 0.87 0.61 0.00 0.00 0.00 175.10 177.19 3ehw n GLY 97 N 4.36 0.38 7.00 4.51 0.00 0.27 -4.89 105.19 116.81 3ehw n GLY 97 Ca -0.19 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.03 0.00 0.00 4.61 0.00 -1.26 -4.39 120.51 116.43 3ehw n ALA 98 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ehw n ALA 98 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 3.40 0.00 0.00 -1.26 -4.94 105.19 102.86 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 5.04 -0.36 1.61 1.01 -1.26 -0.74 120.40 123.69 3ehw s VAL 100 Ca 0.00 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 59.95 3ehw s VAL 100 Cb 0.00 -4.64 0.01 0.00 0.00 0.00 0.00 36.38 31.75 3ehw s VAL 100 CO 0.00 -1.30 0.79 -0.63 0.00 0.00 0.00 175.10 173.97 3ehw s ILE 101 N 1.83 4.73 0.53 2.22 -1.09 0.13 -4.96 121.20 124.59 3ehw s ILE 101 Ca 0.25 0.93 -0.18 0.00 -2.23 0.00 0.00 60.65 59.42 3ehw s ILE 101 Cb -0.09 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 3ehw s ILE 101 CO -0.07 -0.43 1.03 -1.81 -1.23 0.00 0.00 174.94 172.43 3ehw s ASP 102 N 1.82 6.23 0.45 3.58 1.11 -1.26 -0.39 116.67 128.21 3ehw s ASP 102 Ca 0.32 1.79 0.19 0.00 0.18 0.00 0.00 52.55 55.03 3ehw s ASP 102 Cb -0.13 -2.54 1.15 0.00 1.07 0.00 0.00 42.92 42.47 3ehw s ASP 102 CO 0.17 -0.86 1.91 -0.08 1.18 0.00 0.00 175.17 177.48 3ehw h GLU 103 N 1.00 0.31 -0.64 8.23 4.81 -1.93 -1.86 114.58 124.49 3ehw h GLU 103 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3ehw h GLU 103 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3ehw h GLU 103 CO 0.59 0.20 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 3ehw n ASP 104 N -4.45 3.54 -4.70 1.04 5.75 -1.26 -4.33 116.55 112.13 3ehw n ASP 104 Ca 0.16 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 3ehw n ASP 104 Cb 0.64 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 3ehw n ASP 104 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ehw s TYR 105 N -1.15 3.55 -0.01 2.11 5.04 -0.70 -4.91 117.35 121.27 3ehw s TYR 105 Ca 0.44 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.66 3ehw s TYR 105 Cb 0.23 -3.21 0.03 0.00 0.35 0.00 0.00 41.96 39.36 3ehw s TYR 105 CO 0.31 -0.36 0.94 0.54 -1.34 0.00 0.00 175.55 175.64 3ehw n ARG 106 N 4.27 2.33 -1.08 4.97 5.12 -1.26 -4.53 116.66 126.48 3ehw n ARG 106 Ca 0.07 -1.44 -0.14 0.00 -1.93 0.00 0.00 57.85 54.41 3ehw n ARG 106 Cb 0.49 -0.96 0.10 0.00 -1.16 0.00 0.00 32.46 30.93 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 -0.51 -0.95 3.68 -0.13 0.00 -1.26 -4.82 105.19 101.20 3ehw n GLY 107 Ca 0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.39 6.74 -0.25 1.61 3.84 -1.26 -4.25 114.94 117.98 3ehw s ASN 108 Ca 0.37 2.24 -0.29 0.00 0.21 0.00 0.00 52.86 55.39 3ehw s ASN 108 Cb -0.01 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.12 3ehw s ASN 108 CO 0.26 -0.82 1.47 -0.69 -2.79 0.00 0.00 177.10 174.54 3ehw s VAL 109 N 2.87 3.90 -0.14 -5.21 1.01 -0.02 -4.94 120.40 117.86 3ehw s VAL 109 Ca 0.69 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 3ehw s VAL 109 Cb -0.34 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3ehw s VAL 109 CO 0.28 -0.36 0.11 -0.83 0.00 0.00 0.00 175.10 174.30 3ehw s GLY 110 N 3.54 2.06 -0.29 4.51 0.00 -1.26 -1.79 107.32 114.09 3ehw s GLY 110 Ca 0.65 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 44.59 3ehw s GLY 110 CO 0.26 -0.25 0.14 0.14 0.00 0.00 0.00 173.10 173.40 3ehw s VAL 111 N -0.55 4.71 -0.58 1.40 1.01 0.67 -4.89 120.40 122.16 3ehw s VAL 111 Ca 0.12 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 3ehw s VAL 111 Cb -0.12 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.01 3ehw s VAL 111 CO 0.02 0.18 0.89 -0.69 0.00 0.00 0.00 175.10 175.50 3ehw s VAL 112 N 1.65 4.46 -0.15 2.92 1.01 -1.26 0.11 120.40 129.14 3ehw s VAL 112 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 3ehw s VAL 112 Cb -0.16 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 3ehw s VAL 112 CO 0.07 -1.18 0.19 -0.76 0.00 0.00 0.00 175.10 173.42 3ehw s LEU 113 N 3.72 4.29 -0.19 3.92 1.43 -0.44 0.94 118.68 132.36 3ehw s LEU 113 Ca 0.24 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.73 3ehw s LEU 113 Cb -0.16 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3ehw s LEU 113 CO 0.14 0.23 -0.05 -0.36 0.23 0.00 0.00 176.35 176.54 3ehw s PHE 114 N -0.11 2.95 -0.59 0.29 2.99 0.80 -1.66 117.98 122.65 3ehw s PHE 114 Ca 0.13 -0.72 -0.18 0.00 0.00 0.00 0.00 56.93 56.16 3ehw s PHE 114 Cb -0.12 -2.03 0.12 0.00 0.00 0.00 0.00 43.02 40.99 3ehw s PHE 114 CO 0.02 -0.36 0.64 1.21 -0.00 0.00 0.00 175.22 176.73 3ehw s ASN 115 N 1.02 6.22 0.00 1.36 3.04 0.15 -1.15 114.94 125.59 3ehw s ASN 115 Ca 0.00 -1.63 0.28 0.00 0.04 0.00 0.00 52.86 51.55 3ehw s ASN 115 Cb -0.15 -2.27 1.04 0.00 -1.54 0.00 0.00 41.25 38.33 3ehw s ASN 115 CO 0.00 -1.00 1.74 0.49 -3.04 0.00 0.00 177.10 175.29 3ehw n PHE 116 N 5.84 0.00 -1.70 0.43 3.72 -0.65 -0.11 117.46 125.00 3ehw n PHE 116 Ca -0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 3ehw n PHE 116 Cb 0.42 -0.07 0.12 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.24 1.59 0.06 1.37 0.00 -1.25 -4.60 107.32 102.25 3ehw s GLY 117 Ca 0.33 -0.62 0.25 0.00 0.00 0.00 0.00 44.72 44.67 3ehw s GLY 117 CO 0.42 -0.07 1.45 0.28 0.00 0.00 0.00 173.10 175.17 3ehw n LYS 118 N -3.61 0.13 -4.05 2.90 4.76 -1.26 -3.05 118.16 113.99 3ehw n LYS 118 Ca 0.08 0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 3ehw n LYS 118 Cb 0.60 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 3ehw n LYS 118 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ehw s GLU 119 N -3.07 2.95 0.56 1.97 0.41 -1.26 -4.69 118.70 115.57 3ehw s GLU 119 Ca 0.09 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 53.69 3ehw s GLU 119 Cb 0.16 -2.72 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 3ehw s GLU 119 CO 0.69 0.53 1.23 0.36 -0.49 0.00 0.00 175.26 177.58 3ehw n LYS 120 N 0.04 1.42 -4.79 1.61 2.85 -1.26 -4.06 118.16 113.96 3ehw n LYS 120 Ca -0.08 0.53 -0.33 0.00 -1.05 0.00 0.00 58.31 57.38 3ehw n LYS 120 Cb 0.53 -2.43 -0.14 0.00 -0.65 0.00 0.00 35.03 32.34 3ehw n LYS 120 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 3ehw s PHE 121 N -1.35 2.80 -0.25 5.58 2.19 0.15 -4.94 117.98 122.17 3ehw s PHE 121 Ca 0.73 -0.59 -0.12 0.00 0.33 0.00 0.00 56.93 57.29 3ehw s PHE 121 Cb -0.43 -1.82 -0.05 0.00 -1.31 0.00 0.00 43.02 39.41 3ehw s PHE 121 CO 0.48 -0.16 0.21 -1.21 1.83 0.00 0.00 175.22 176.37 3ehw s GLU 122 N 0.23 4.05 -0.17 10.12 0.41 -1.26 0.05 118.70 132.13 3ehw s GLU 122 Ca -0.09 -0.20 -0.06 0.00 -0.41 0.00 0.00 54.97 54.22 3ehw s GLU 122 Cb -0.15 -3.57 -0.03 0.00 -1.78 0.00 0.00 34.13 28.59 3ehw s GLU 122 CO 0.05 -0.03 0.02 0.08 -0.49 0.00 0.00 175.26 174.89 3ehw s VAL 123 N 1.31 4.37 0.12 2.63 1.01 0.07 -5.00 120.40 124.92 3ehw s VAL 123 Ca 0.09 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3ehw s VAL 123 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3ehw s VAL 123 CO 0.07 0.47 -0.04 -0.54 0.00 0.00 0.00 175.10 175.06 3ehw s LYS 124 N 0.39 2.35 0.24 2.72 -0.14 -1.26 -0.59 119.74 123.44 3ehw s LYS 124 Ca -0.00 -0.99 -0.31 0.00 -1.36 0.00 0.00 55.97 53.30 3ehw s LYS 124 Cb -0.13 -2.40 -0.14 0.00 -1.68 0.00 0.00 37.83 33.49 3ehw s LYS 124 CO 0.01 0.50 1.36 1.17 -0.76 0.00 0.00 175.35 177.63 3ehw n LYS 125 N 0.39 1.90 -0.09 1.68 4.81 -1.15 -1.28 118.16 124.42 3ehw n LYS 125 Ca -0.11 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3ehw n LYS 125 Cb 0.53 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 2.05 0.92 3.74 3.14 0.00 0.80 -4.95 105.19 110.88 3ehw n GLY 126 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.77 7.28 -0.54 1.61 1.01 -0.40 -4.78 116.67 118.08 3ehw s ASP 127 Ca 0.00 2.06 -0.27 0.00 0.71 0.00 0.00 52.55 55.05 3ehw s ASP 127 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3ehw s ASP 127 CO 0.00 -0.21 1.10 -0.13 0.21 0.00 0.00 175.17 176.14 3ehw s ARG 128 N -0.32 3.53 0.00 8.23 0.52 -1.26 -1.28 118.95 128.37 3ehw s ARG 128 Ca 0.49 0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.97 3ehw s ARG 128 Cb -0.29 -3.99 0.10 0.00 0.52 0.00 0.00 34.95 31.30 3ehw s ARG 128 CO 0.34 -1.53 0.96 0.44 0.02 0.00 0.00 175.30 175.53 3ehw n ILE 129 N 6.60 0.65 -3.86 1.52 -6.64 -0.43 -4.96 119.36 112.24 3ehw n ILE 129 Ca 0.08 -0.83 0.00 0.00 -1.77 0.00 0.00 62.75 60.23 3ehw n ILE 129 Cb 0.49 0.71 0.01 0.00 -1.44 0.00 0.00 39.64 39.40 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 -0.80 -2.10 0.05 -1.28 0.00 -1.24 -4.68 121.76 111.72 3ehw s ALA 130 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3ehw s ALA 130 Cb 0.05 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3ehw s ALA 130 CO 0.07 -1.10 -0.04 1.14 0.00 0.00 0.00 175.76 175.83 3ehw s GLN 131 N -2.24 0.57 -0.22 0.00 -2.07 0.01 -0.65 119.66 115.06 3ehw s GLN 131 Ca 0.23 -1.04 -0.03 0.00 -1.82 0.00 0.00 55.36 52.69 3ehw s GLN 131 Cb -0.00 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 3ehw s GLN 131 CO 0.01 -0.06 -0.07 -1.17 -1.32 0.00 0.00 175.29 172.68 3ehw s LEU 132 N -2.44 2.82 -0.13 2.60 2.96 0.11 0.15 118.68 124.75 3ehw s LEU 132 Ca 0.00 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3ehw s LEU 132 Cb 0.01 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3ehw s LEU 132 CO -0.06 -0.03 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.29 3ehw s ILE 133 N 1.43 4.12 -1.20 6.68 1.01 0.12 -1.23 121.20 132.13 3ehw s ILE 133 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 3ehw s ILE 133 Cb -0.14 -2.78 0.10 0.00 0.01 0.00 0.00 42.46 39.65 3ehw s ILE 133 CO -0.05 0.53 1.55 0.00 0.00 0.00 0.00 174.94 176.97 3ehw s GLU 135 N 3.44 4.27 0.10 0.00 0.41 -0.55 -4.89 118.70 121.49 3ehw s GLU 135 Ca 0.48 1.48 -0.30 0.00 -0.41 0.00 0.00 54.97 56.21 3ehw s GLU 135 Cb 0.01 -3.67 -0.06 0.00 -1.78 0.00 0.00 34.13 28.63 3ehw s GLU 135 CO 0.01 -0.61 1.16 1.03 -0.49 0.00 0.00 175.26 176.36 3ehw s ARG 136 N 3.12 4.49 0.19 1.61 0.52 -1.26 -1.61 118.95 126.00 3ehw s ARG 136 Ca 0.49 1.75 0.03 0.00 -0.52 0.00 0.00 55.73 57.47 3ehw s ARG 136 Cb -0.18 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 3ehw s ARG 136 CO 0.11 -0.14 -0.00 0.96 0.02 0.00 0.00 175.30 176.24 3ehw s ILE 137 N 0.60 0.82 0.27 1.52 -4.36 -0.75 -4.96 121.20 114.34 3ehw s ILE 137 Ca 0.55 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.92 3ehw s ILE 137 Cb -0.29 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 3ehw s ILE 137 CO 0.31 -0.43 0.48 -0.36 0.24 0.00 0.00 174.94 175.19 3ehw s PHE 138 N -3.56 3.48 -0.69 1.37 2.99 -1.26 -4.60 117.98 115.72 3ehw s PHE 138 Ca 0.25 0.43 0.05 0.00 0.00 0.00 0.00 56.93 57.66 3ehw s PHE 138 Cb 0.06 -1.94 0.25 0.00 0.00 0.00 0.00 43.02 41.39 3ehw s PHE 138 CO 0.06 0.25 0.78 0.66 -0.00 0.00 0.00 175.22 176.96 3ehw n TYR 139 N -1.06 3.53 -2.25 0.36 4.01 -1.26 -5.09 117.16 115.41 3ehw n TYR 139 Ca -0.04 -4.06 -0.33 0.00 -0.16 0.00 0.00 57.90 53.31 3ehw n TYR 139 Cb 0.55 -0.63 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.38 3.53 0.30 -0.72 0.04 -1.26 -5.01 135.00 129.50 3ehw s PRO 140 Ca 0.37 1.25 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 3ehw s PRO 140 Cb 0.12 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3ehw s PRO 140 CO -0.02 -0.64 1.04 -1.83 0.04 0.00 0.00 177.00 175.59 3ehw s GLU 141 N -3.76 4.56 -0.08 4.56 1.03 -1.26 -5.04 118.70 118.70 3ehw s GLU 141 Ca 0.65 1.64 -0.15 0.00 0.03 0.00 0.00 54.97 57.14 3ehw s GLU 141 Cb -0.16 -3.02 -0.05 0.00 -0.80 0.00 0.00 34.13 30.11 3ehw s GLU 141 CO 0.30 0.19 0.37 -1.50 -1.33 0.00 0.00 175.26 173.29 3ehw s ILE 142 N -1.32 5.18 -0.08 1.83 2.07 -1.26 -5.08 121.20 122.55 3ehw s ILE 142 Ca 0.47 0.73 0.00 0.00 -1.41 0.00 0.00 60.65 60.45 3ehw s ILE 142 Cb -0.27 -3.69 0.02 0.00 0.13 0.00 0.00 42.46 38.65 3ehw s ILE 142 CO 0.35 0.47 -0.05 -0.70 -1.91 0.00 0.00 174.94 173.09 3ehw s GLU 143 N -0.23 1.13 0.09 3.50 2.12 -1.26 -5.13 118.70 118.92 3ehw s GLU 143 Ca 0.21 -0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.13 3ehw s GLU 143 Cb -0.15 -1.20 -0.06 0.00 0.26 0.00 0.00 34.13 32.98 3ehw s GLU 143 CO 0.09 -0.18 0.86 -2.00 -0.54 0.00 0.00 175.26 173.49 3ehw s GLU 144 N 1.40 4.60 0.20 4.30 2.12 -1.26 -5.07 118.70 125.00 3ehw s GLU 144 Ca -0.02 1.26 0.08 0.00 0.36 0.00 0.00 54.97 56.64 3ehw s GLU 144 Cb -0.13 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 3ehw s GLU 144 CO -0.03 0.27 -0.15 0.14 -0.54 0.00 0.00 175.26 174.95 3ehw s VAL 145 N -0.12 1.77 0.09 3.70 -7.23 -1.26 -5.05 120.40 112.30 3ehw s VAL 145 Ca 0.42 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 3ehw s VAL 145 Cb -0.22 -2.01 -0.14 0.00 0.56 0.00 0.00 36.38 34.58 3ehw s VAL 145 CO 0.26 -0.54 1.73 0.06 -0.31 0.00 0.00 175.10 176.30 3ehw h GLN 146 N 2.68 0.05 -3.61 4.82 -0.00 -2.09 -3.46 115.11 113.51 3ehw h GLN 146 Ca -0.39 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.19 3ehw h GLN 146 Cb 1.22 -0.01 -0.13 0.00 -0.00 0.00 0.00 27.48 28.56 3ehw h GLN 146 CO 0.60 0.05 -0.22 0.00 -0.00 0.00 0.00 178.83 179.26 3ehw s ALA 147 N -6.10 -0.55 0.44 0.06 0.00 -1.26 -5.18 121.76 109.16 3ehw s ALA 147 Ca -0.13 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3ehw s ALA 147 Cb 0.06 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3ehw s ALA 147 CO 0.67 -0.59 0.62 -0.51 0.00 0.00 0.00 175.76 175.94 3ehw s LEU 148 N -2.84 3.65 0.57 0.00 1.43 -1.26 -5.09 118.68 115.13 3ehw s LEU 148 Ca 0.05 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 3ehw s LEU 148 Cb 0.03 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 3ehw s LEU 148 CO -0.10 -0.74 1.11 1.51 0.23 0.00 0.00 176.35 178.36 3ehw s ASP 149 N -4.28 5.65 0.48 2.29 -4.77 -1.26 -5.03 116.67 109.75 3ehw s ASP 149 Ca 0.51 2.09 -0.11 0.00 -3.30 0.00 0.00 52.55 51.74 3ehw s ASP 149 Cb -0.10 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 39.10 3ehw s ASP 149 CO 0.35 -1.27 0.87 -1.81 0.70 0.00 0.00 175.17 174.02 3ehw s ASP 150 N -2.04 6.45 0.33 2.11 1.01 -1.26 -5.09 116.67 118.18 3ehw s ASP 150 Ca 0.70 1.25 0.04 0.00 0.71 0.00 0.00 52.55 55.25 3ehw s ASP 150 Cb -0.22 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3ehw s ASP 150 CO 0.30 -0.56 0.15 0.42 0.21 0.00 0.00 175.17 175.69 3ehw s THR 151 N -2.64 0.43 0.08 -1.27 -4.23 -1.26 -5.03 115.64 101.72 3ehw s THR 151 Ca 0.53 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 3ehw s THR 151 Cb -0.10 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.12 3ehw s THR 151 CO 0.38 0.00 1.35 -0.33 -0.54 0.00 0.00 174.62 175.48 3ehw h GLU 152 N 2.11 0.67 -0.72 3.99 5.08 -2.05 -3.03 114.58 120.63 3ehw h GLU 152 Ca -0.34 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 57.61 3ehw h GLU 152 Cb 1.25 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 3ehw h GLU 152 CO 0.53 1.05 0.47 -0.09 -1.00 0.00 0.00 179.01 179.97 3ehw h ARG 153 N 0.37 0.90 0.00 2.33 2.43 -1.97 -3.47 114.38 114.97 3ehw h ARG 153 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3ehw h ARG 153 Cb 1.02 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3ehw h ARG 153 CO 0.09 0.60 0.00 0.41 -1.51 0.00 0.00 179.97 179.56 3ehw n GLY 154 N -1.30 3.61 1.21 2.80 0.00 -1.15 -1.21 105.19 109.15 3ehw n GLY 154 Ca 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3ehw n GLY 154 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ehw n SER 155 N 5.16 3.53 -4.70 1.61 7.64 -1.26 -4.92 113.62 120.68 3ehw n SER 155 Ca 0.00 -2.29 -0.42 0.00 1.01 0.00 0.00 58.87 57.17 3ehw n SER 155 Cb 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 3ehw n SER 155 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ehw s GLY 156 N -0.81 1.49 0.04 0.23 0.00 -0.35 -4.96 107.32 102.96 3ehw s GLY 156 Ca 0.37 1.32 -0.06 0.00 0.00 0.00 0.00 44.72 46.34 3ehw s GLY 156 CO 0.19 2.89 0.30 0.61 0.00 0.00 0.00 173.10 177.09 3ehw n GLY 157 N 4.00 0.98 4.01 0.20 0.00 -1.26 -4.93 105.19 108.19 3ehw n GLY 157 Ca 0.16 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.21 -1.57 -0.51 1.61 3.72 -1.26 -1.71 117.46 117.52 3ehw n PHE 158 Ca -0.00 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 3ehw n PHE 158 Cb 0.16 -3.47 0.00 0.00 -0.94 0.00 0.00 39.48 35.23 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 -2.09 0.74 0.36 1.37 0.00 -1.26 -4.96 105.19 99.35 3ehw n GLY 159 Ca -0.29 -0.06 0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 0.03 1.61 4.64 -1.69 -1.04 113.55 117.10 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 -0.07 0.35 -0.87 0.00 0.00 176.83 176.24 3ehw n THR 161 N -3.63 0.00 -0.01 2.95 -2.24 -1.26 -4.98 114.28 105.10 3ehw n THR 161 Ca 0.04 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3ehw n THR 161 Cb 0.49 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.24 -3.77 0.07 3.38 0.00 -0.40 -4.83 105.19 100.89 3ehw n GLY 162 Ca 0.17 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.01 0.67 0.00 1.61 4.76 -1.26 -4.97 118.16 118.97 3ehw n LYS 163 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3ehw n LYS 163 Cb 0.00 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 3ehw n LYS 163 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30