#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2u s LEU 3 N 0.00 3.33 0.18 2.41 1.43 -1.08 -4.73 118.68 120.23 3d2u s LEU 3 Ca 0.00 1.98 -0.33 0.00 -1.03 0.00 0.00 54.13 54.75 3d2u s LEU 3 Cb 0.00 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.53 3d2u s LEU 3 CO 0.00 -1.72 1.37 -2.65 0.23 0.00 0.00 176.35 173.58 3d2u n PRO 4 N -2.60 1.71 -2.51 1.29 -0.02 -1.26 -1.26 135.00 130.35 3d2u n PRO 4 Ca 0.10 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3d2u n PRO 4 Cb 0.52 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3d2u n PRO 4 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3d2u s LYS 5 N 0.01 4.62 0.93 -0.52 -2.85 -1.26 -4.55 119.74 116.12 3d2u s LYS 5 Ca 0.74 1.74 -0.14 0.00 -1.00 0.00 0.00 55.97 57.31 3d2u s LYS 5 Cb -0.75 -3.24 0.16 0.00 -2.06 0.00 0.00 37.83 31.93 3d2u s LYS 5 CO 0.47 0.15 1.19 -1.25 0.10 0.00 0.00 175.35 176.01 3d2u s PRO 6 N -0.80 0.96 -0.04 1.78 0.04 -1.26 -4.79 135.00 130.89 3d2u s PRO 6 Ca 0.47 0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.53 3d2u s PRO 6 Cb -0.30 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3d2u s PRO 6 CO 0.37 -2.26 0.01 0.99 0.04 0.00 0.00 177.00 176.14 3d2u s THR 7 N -3.49 4.29 -0.14 1.26 2.01 0.53 -4.26 115.64 115.84 3d2u s THR 7 Ca 0.67 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3d2u s THR 7 Cb -0.10 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.56 3d2u s THR 7 CO 0.52 0.49 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.52 3d2u s LEU 8 N -1.23 2.02 0.20 4.42 2.96 -1.26 -1.40 118.68 124.39 3d2u s LEU 8 Ca 0.17 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3d2u s LEU 8 Cb -0.11 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3d2u s LEU 8 CO 0.07 0.06 0.14 -1.66 -1.32 0.00 0.00 176.35 173.64 3d2u s TRP 9 N 0.90 1.10 0.02 5.38 -2.14 0.14 -4.89 118.94 119.46 3d2u s TRP 9 Ca -0.06 -1.34 0.08 0.00 2.66 0.00 0.00 56.10 57.45 3d2u s TRP 9 Cb -0.15 -0.52 -0.02 0.00 -3.10 0.00 0.00 33.47 29.68 3d2u s TRP 9 CO -0.03 -0.65 -0.24 0.00 -2.66 0.00 0.00 176.95 173.37 3d2u s ALA 10 N -4.15 2.03 -0.05 2.67 0.00 -1.26 0.70 121.76 121.71 3d2u s ALA 10 Ca 0.37 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3d2u s ALA 10 Cb 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3d2u s ALA 10 CO 0.11 0.48 -0.10 -1.21 0.00 0.00 0.00 175.76 175.05 3d2u s GLU 11 N -0.98 1.28 0.14 0.00 0.41 -0.07 -3.33 118.70 116.14 3d2u s GLU 11 Ca 0.10 -0.32 0.23 0.00 -0.41 0.00 0.00 54.97 54.57 3d2u s GLU 11 Cb -0.09 -1.13 0.91 0.00 -1.78 0.00 0.00 34.13 32.04 3d2u s GLU 11 CO 0.01 0.04 1.72 -0.35 -0.49 0.00 0.00 175.26 176.19 3d2u n PRO 12 N 3.66 0.13 -3.91 0.39 -0.04 -1.26 -0.15 135.00 133.82 3d2u n PRO 12 Ca -0.22 0.24 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3d2u n PRO 12 Cb 0.52 -1.70 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 3d2u n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d2u n GLY 13 N 0.66 0.42 0.64 0.55 0.00 -1.21 -5.04 105.19 101.22 3d2u n GLY 13 Ca 0.04 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.07 3d2u n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d2u n SER 14 N -1.19 2.33 -4.06 1.61 3.41 -1.26 -4.72 113.62 109.73 3d2u n SER 14 Ca 0.01 -1.67 -0.33 0.00 -0.26 0.00 0.00 58.87 56.62 3d2u n SER 14 Cb 0.58 0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 64.71 3d2u n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d2u s VAL 15 N -2.29 2.67 -0.05 -3.33 1.01 -1.26 -0.69 120.40 116.47 3d2u s VAL 15 Ca 0.21 -2.21 0.02 0.00 0.00 0.00 0.00 61.98 60.01 3d2u s VAL 15 Cb 0.18 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3d2u s VAL 15 CO 0.48 -0.62 -0.09 -0.63 0.00 0.00 0.00 175.10 174.24 3d2u s ILE 16 N 1.00 3.48 0.14 2.22 -1.09 0.03 -4.98 121.20 122.01 3d2u s ILE 16 Ca 0.09 -0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 57.59 3d2u s ILE 16 Cb -0.20 -2.42 -0.07 0.00 -1.58 0.00 0.00 42.46 38.18 3d2u s ILE 16 CO -0.06 0.56 1.15 0.28 -1.23 0.00 0.00 174.94 175.63 3d2u s THR 17 N -0.82 3.87 0.07 2.92 -1.32 -1.26 -0.66 115.64 118.44 3d2u s THR 17 Ca 0.13 1.52 -0.37 0.00 -1.21 0.00 0.00 61.69 61.75 3d2u s THR 17 Cb -0.11 -3.97 -0.18 0.00 -1.51 0.00 0.00 72.50 66.74 3d2u s THR 17 CO 0.02 0.21 1.24 0.00 -2.21 0.00 0.00 174.62 173.89 3d2u n GLN 18 N 2.86 0.79 -0.17 7.08 10.64 -0.23 -1.28 117.38 137.09 3d2u n GLN 18 Ca 0.05 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 3d2u n GLN 18 Cb 0.46 -1.87 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 3d2u n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3d2u n GLY 19 N 2.18 1.66 3.93 2.61 0.00 0.14 -4.95 105.19 110.76 3d2u n GLY 19 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3d2u n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d2u s SER 20 N -3.22 6.12 0.34 1.61 0.01 -0.40 -4.31 113.70 113.86 3d2u s SER 20 Ca 0.00 0.63 -0.11 0.00 1.31 0.00 0.00 55.95 57.78 3d2u s SER 20 Cb 0.00 -1.98 -0.07 0.00 0.21 0.00 0.00 66.02 64.18 3d2u s SER 20 CO 0.00 -0.56 0.70 -2.16 0.41 0.00 0.00 173.24 171.63 3d2u s PRO 21 N -4.60 3.81 -0.15 12.44 0.05 -1.23 -0.53 135.00 144.80 3d2u s PRO 21 Ca 0.46 0.42 -0.27 0.00 0.05 0.00 0.00 61.00 61.66 3d2u s PRO 21 Cb -0.10 -2.47 0.07 0.00 0.05 0.00 0.00 34.50 32.04 3d2u s PRO 21 CO 0.41 0.10 0.67 0.54 0.05 0.00 0.00 177.00 178.76 3d2u s VAL 22 N -2.16 0.00 -0.08 -0.36 0.11 -0.68 -4.65 120.40 112.58 3d2u s VAL 22 Ca 0.50 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.59 3d2u s VAL 22 Cb -0.10 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3d2u s VAL 22 CO 0.26 -0.01 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.89 3d2u s THR 23 N -0.42 2.06 -0.17 5.04 2.01 0.79 -0.77 115.64 124.18 3d2u s THR 23 Ca -0.06 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 60.74 3d2u s THR 23 Cb -0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3d2u s THR 23 CO 0.05 0.57 0.40 -0.76 -0.69 0.00 0.00 174.62 174.19 3d2u s LEU 24 N 0.05 4.21 -0.07 4.42 1.43 -0.38 -0.90 118.68 127.44 3d2u s LEU 24 Ca -0.10 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3d2u s LEU 24 Cb -0.16 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 3d2u s LEU 24 CO 0.06 -0.02 -0.13 -0.13 0.23 0.00 0.00 176.35 176.36 3d2u s ARG 25 N 0.94 2.70 -0.04 1.70 1.81 0.22 -1.18 118.95 125.09 3d2u s ARG 25 Ca 0.21 -0.67 0.03 0.00 -1.72 0.00 0.00 55.73 53.57 3d2u s ARG 25 Cb -0.14 -2.46 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 3d2u s ARG 25 CO 0.08 0.56 -0.11 0.00 -0.68 0.00 0.00 175.30 175.14 3d2u s GLN 27 N 0.37 1.13 0.00 0.00 0.74 -0.49 -4.42 119.66 116.98 3d2u s GLN 27 Ca -0.08 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 54.73 3d2u s GLN 27 Cb -0.12 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.39 3d2u s GLN 27 CO 0.02 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 3d2u n GLY 28 N -0.44 0.97 0.00 2.59 0.00 -1.26 0.20 105.19 107.25 3d2u n GLY 28 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3d2u n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2u n GLY 29 N -2.05 -2.17 0.00 -0.02 0.00 -1.26 -4.32 105.19 95.37 3d2u n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d2u n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2u n GLN 30 N 0.00 0.00 -1.93 1.61 10.64 -1.26 -4.87 117.38 121.57 3d2u n GLN 30 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 3d2u n GLN 30 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 3d2u n GLN 30 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 3d2u s GLU 31 N -1.14 4.22 0.14 2.61 -1.05 -1.26 -4.93 118.70 117.28 3d2u s GLU 31 Ca 0.00 2.37 -0.23 0.00 -0.15 0.00 0.00 54.97 56.96 3d2u s GLU 31 Cb 0.00 -3.14 0.07 0.00 -0.44 0.00 0.00 34.13 30.62 3d2u s GLU 31 CO 0.00 -0.58 0.60 -0.08 0.95 0.00 0.00 175.26 176.14 3d2u s THR 32 N 0.90 0.00 0.00 1.83 -1.32 -1.26 -5.03 115.64 110.77 3d2u s THR 32 Ca 0.68 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 3d2u s THR 32 Cb -0.44 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 3d2u s THR 32 CO 0.34 -0.02 0.42 0.00 -2.21 0.00 0.00 174.62 173.16 3d2u n GLN 33 N -0.24 0.34 -1.93 7.08 6.02 -1.26 -4.88 117.38 122.51 3d2u n GLN 33 Ca -0.17 -0.50 -0.38 0.00 -0.01 0.00 0.00 57.00 55.94 3d2u n GLN 33 Cb 0.64 -0.62 0.04 0.00 1.02 0.00 0.00 30.24 31.32 3d2u n GLN 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3d2u n GLU 34 N -0.07 2.83 -1.99 -1.09 1.02 -1.26 -4.11 120.64 115.97 3d2u n GLU 34 Ca 0.00 -3.61 -0.36 0.00 -0.02 0.00 0.00 57.16 53.16 3d2u n GLU 34 Cb 0.34 -2.27 0.03 0.00 -0.02 0.00 0.00 31.44 29.52 3d2u n GLU 34 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3d2u s TYR 35 N -3.99 2.40 0.00 -0.32 1.51 -1.26 -0.71 117.35 114.98 3d2u s TYR 35 Ca 0.53 1.50 0.01 0.00 -1.01 0.00 0.00 57.07 58.09 3d2u s TYR 35 Cb 0.44 -3.53 -0.01 0.00 -0.11 0.00 0.00 41.96 38.76 3d2u s TYR 35 CO -0.35 -2.29 -0.03 1.03 -1.11 0.00 0.00 175.55 172.79 3d2u s ARG 36 N -3.21 0.27 0.02 -0.62 1.81 0.15 -4.89 118.95 112.48 3d2u s ARG 36 Ca 0.76 -0.20 0.03 0.00 -1.72 0.00 0.00 55.73 54.60 3d2u s ARG 36 Cb -0.32 -0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 33.95 3d2u s ARG 36 CO 0.36 0.06 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.76 3d2u s LEU 37 N -0.31 2.13 0.03 2.53 2.96 -1.26 -1.54 118.68 123.22 3d2u s LEU 37 Ca -0.01 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.36 3d2u s LEU 37 Cb -0.03 -0.44 0.04 0.00 0.50 0.00 0.00 46.19 46.26 3d2u s LEU 37 CO -0.00 0.01 0.43 -0.72 -1.32 0.00 0.00 176.35 174.75 3d2u s TYR 38 N -0.69 -0.29 -0.12 5.38 -0.85 -0.76 -4.97 117.35 115.05 3d2u s TYR 38 Ca -0.00 0.31 -0.08 0.00 -0.52 0.00 0.00 57.07 56.78 3d2u s TYR 38 Cb -0.06 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 3d2u s TYR 38 CO 0.00 -0.56 0.15 0.50 -1.52 0.00 0.00 175.55 174.13 3d2u s ARG 39 N -2.25 3.50 0.42 -3.49 3.52 -1.26 -1.78 118.95 117.61 3d2u s ARG 39 Ca -0.07 -0.11 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 3d2u s ARG 39 Cb -0.01 -3.20 -0.08 0.00 -1.56 0.00 0.00 34.95 30.09 3d2u s ARG 39 CO -0.01 0.75 1.27 -1.21 -0.81 0.00 0.00 175.30 175.29 3d2u s GLU 40 N -0.96 3.88 0.00 5.12 2.02 0.13 -4.13 118.70 124.77 3d2u s GLU 40 Ca 0.15 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3d2u s GLU 40 Cb -0.12 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.45 3d2u s GLU 40 CO 0.04 -0.53 0.00 1.17 0.02 0.00 0.00 175.26 175.96 3d2u n LYS 41 N -0.05 0.00 -4.03 1.61 4.81 -1.26 -4.76 118.16 114.48 3d2u n LYS 41 Ca 0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 3d2u n LYS 41 Cb 0.45 -0.07 -0.16 0.00 0.02 0.00 0.00 35.03 35.27 3d2u n LYS 41 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3d2u s LYS 42 N 0.00 2.39 0.50 1.64 2.20 -1.26 -5.11 119.74 120.10 3d2u s LYS 42 Ca 0.00 -0.60 -0.24 0.00 -0.36 0.00 0.00 55.97 54.78 3d2u s LYS 42 Cb 0.00 -2.17 -0.07 0.00 -1.51 0.00 0.00 37.83 34.08 3d2u s LYS 42 CO 0.00 -0.23 1.41 0.95 -0.36 0.00 0.00 175.35 177.11 3d2u s THR 43 N 1.46 2.03 -0.47 3.43 -4.23 -1.26 -4.56 115.64 112.04 3d2u s THR 43 Ca 0.05 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 3d2u s THR 43 Cb -0.13 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.82 3d2u s THR 43 CO -0.11 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.27 3d2u s ALA 44 N -1.24 3.31 0.35 3.99 0.00 -1.26 -5.00 121.76 121.91 3d2u s ALA 44 Ca 0.66 -2.64 0.11 0.00 0.00 0.00 0.00 51.96 50.09 3d2u s ALA 44 Cb -0.43 -2.62 0.90 0.00 0.00 0.00 0.00 23.12 20.98 3d2u s ALA 44 CO 0.53 -1.89 1.78 -1.35 0.00 0.00 0.00 175.76 174.83 3d2u h PRO 45 N 8.07 0.58 -0.91 0.00 0.11 -1.95 -2.41 132.00 135.49 3d2u h PRO 45 Ca -0.14 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 66.18 3d2u h PRO 45 Cb 1.04 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 3d2u h PRO 45 CO 0.76 0.38 0.63 0.11 -0.21 0.00 0.00 178.00 179.67 3d2u h TRP 46 N 0.59 0.23 -0.42 0.65 5.08 -1.98 -2.20 115.95 117.90 3d2u h TRP 46 Ca 0.58 0.01 0.05 0.00 1.08 0.00 0.00 58.89 60.60 3d2u h TRP 46 Cb 1.14 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 27.19 3d2u h TRP 46 CO -0.00 0.05 0.16 0.82 -1.28 0.00 0.00 178.44 178.19 3d2u h ILE 47 N 0.16 0.89 0.00 0.12 2.04 -1.83 -1.25 117.51 117.65 3d2u h ILE 47 Ca 0.45 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.20 3d2u h ILE 47 Cb 1.51 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3d2u h ILE 47 CO -0.09 0.06 0.00 0.35 0.00 0.00 0.00 178.15 178.48 3d2u n THR 48 N -4.99 0.16 1.07 -0.27 -2.24 -0.83 -2.23 114.28 104.95 3d2u n THR 48 Ca 0.03 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3d2u n THR 48 Cb 0.15 -0.69 0.12 0.00 -2.10 0.00 0.00 70.33 67.80 3d2u n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3d2u n ARG 49 N -1.12 0.67 -2.08 -0.78 1.74 -0.48 -4.92 116.66 109.69 3d2u n ARG 49 Ca 0.14 -0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 56.30 3d2u n ARG 49 Cb 0.12 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3d2u n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d2u s ILE 50 N -2.67 3.44 0.22 0.55 -1.09 -0.94 -4.94 121.20 115.77 3d2u s ILE 50 Ca 0.17 0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 59.09 3d2u s ILE 50 Cb 0.18 -3.52 -0.15 0.00 -1.58 0.00 0.00 42.46 37.39 3d2u s ILE 50 CO 0.64 -0.01 1.19 -2.65 -1.23 0.00 0.00 174.94 172.87 3d2u n PRO 51 N 5.73 1.44 -0.11 2.79 -0.02 -1.26 -4.72 135.00 138.85 3d2u n PRO 51 Ca 0.15 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 3d2u n PRO 51 Cb 0.42 -2.02 0.55 0.00 -0.02 0.00 0.00 33.50 32.44 3d2u n PRO 51 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3d2u h GLN 52 N 3.23 0.30 0.00 -0.52 5.75 -1.97 -1.10 115.11 120.80 3d2u h GLN 52 Ca -0.43 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.00 3d2u h GLN 52 Cb 1.32 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 3d2u h GLN 52 CO 0.69 0.20 -0.24 0.93 -2.65 0.00 0.00 178.83 177.76 3d2u h GLU 53 N 0.31 0.00 0.09 1.69 4.39 -1.99 -0.80 114.58 118.27 3d2u h GLU 53 Ca 0.33 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.88 3d2u h GLU 53 Cb 0.86 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3d2u h GLU 53 CO -0.08 0.24 -0.69 -0.07 -1.16 0.00 0.00 179.01 177.25 3d2u h LEU 54 N 0.00 0.31 -0.84 1.33 3.38 -1.51 -3.29 115.31 114.68 3d2u h LEU 54 Ca -0.00 -0.93 0.15 0.00 0.09 0.00 0.00 57.88 57.18 3d2u h LEU 54 Cb 0.49 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3d2u h LEU 54 CO 0.03 1.32 0.43 0.58 0.09 0.00 0.00 178.44 180.89 3d2u h VAL 55 N -0.56 0.73 -0.30 1.22 2.07 -1.18 0.68 116.25 118.90 3d2u h VAL 55 Ca -0.13 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.26 3d2u h VAL 55 Cb 1.47 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3d2u h VAL 55 CO 0.08 0.11 0.26 0.11 0.02 0.00 0.00 177.57 178.16 3d2u h LYS 56 N 0.62 0.00 -0.02 1.57 1.57 -1.22 0.18 116.57 119.27 3d2u h LYS 56 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3d2u h LYS 56 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3d2u h LYS 56 CO -0.36 0.00 -0.09 1.63 -0.57 0.00 0.00 179.45 180.06 3d2u n LYS 57 N -4.06 1.71 -1.60 3.15 5.02 0.16 -4.39 118.16 118.15 3d2u n LYS 57 Ca 0.04 -1.20 -0.04 0.00 -2.02 0.00 0.00 58.31 55.09 3d2u n LYS 57 Cb 0.42 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3d2u n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d2u n GLY 58 N 1.28 0.44 3.37 0.72 0.00 0.63 -4.83 105.19 106.80 3d2u n GLY 58 Ca 0.15 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3d2u n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d2u s GLN 59 N -3.28 3.51 -0.61 1.61 -0.21 -0.79 -0.86 119.66 119.03 3d2u s GLN 59 Ca 0.00 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 54.87 3d2u s GLN 59 Cb 0.00 -3.14 0.16 0.00 1.00 0.00 0.00 33.01 31.03 3d2u s GLN 59 CO 0.00 -0.18 0.42 -0.06 -2.12 0.00 0.00 175.29 173.35 3d2u s PHE 60 N 1.51 2.88 0.27 0.91 0.40 -0.33 -3.69 117.98 119.92 3d2u s PHE 60 Ca 0.06 -3.04 -0.29 0.00 -0.60 0.00 0.00 56.93 53.06 3d2u s PHE 60 Cb -0.15 -2.26 -0.09 0.00 0.51 0.00 0.00 43.02 41.03 3d2u s PHE 60 CO -0.00 -0.64 1.02 -1.25 0.70 0.00 0.00 175.22 175.04 3d2u s PRO 61 N -0.90 4.72 -0.29 0.24 0.04 -1.26 -1.25 135.00 136.29 3d2u s PRO 61 Ca 0.25 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.95 3d2u s PRO 61 Cb -0.06 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.38 3d2u s PRO 61 CO -0.15 0.34 -0.04 0.42 0.04 0.00 0.00 177.00 177.62 3d2u s ILE 62 N -1.22 2.17 0.44 0.56 1.01 0.05 -4.98 121.20 119.23 3d2u s ILE 62 Ca 0.44 -1.93 0.12 0.00 0.00 0.00 0.00 60.65 59.28 3d2u s ILE 62 Cb -0.28 -2.43 0.21 0.00 0.01 0.00 0.00 42.46 39.97 3d2u s ILE 62 CO 0.35 -0.29 2.01 -0.65 0.00 0.00 0.00 174.94 176.37 3d2u h PRO 63 N 7.71 0.16 -1.62 2.79 0.11 -1.89 -1.82 132.00 137.44 3d2u h PRO 63 Ca -0.12 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 3d2u h PRO 63 Cb 1.03 -0.03 -0.27 0.00 0.11 0.00 0.00 31.00 31.84 3d2u h PRO 63 CO 0.48 0.23 -0.45 0.45 -0.21 0.00 0.00 178.00 178.51 3d2u s SER 64 N -6.93 -0.15 0.32 -2.05 0.15 -1.26 -3.56 113.70 100.22 3d2u s SER 64 Ca -0.05 0.20 -0.28 0.00 0.70 0.00 0.00 55.95 56.52 3d2u s SER 64 Cb 0.16 1.37 -0.09 0.00 -1.71 0.00 0.00 66.02 65.75 3d2u s SER 64 CO 0.71 -0.31 1.06 -0.51 1.20 0.00 0.00 173.24 175.39 3d2u s ILE 65 N 2.62 3.64 0.38 6.45 2.07 0.31 -4.80 121.20 131.87 3d2u s ILE 65 Ca 0.13 1.50 0.04 0.00 -1.41 0.00 0.00 60.65 60.91 3d2u s ILE 65 Cb -0.14 -3.90 -0.05 0.00 0.13 0.00 0.00 42.46 38.50 3d2u s ILE 65 CO -0.21 0.25 0.07 0.42 -1.91 0.00 0.00 174.94 173.56 3d2u s THR 66 N -1.35 1.04 0.39 4.00 -4.23 -1.26 0.24 115.64 114.47 3d2u s THR 66 Ca 0.49 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.10 3d2u s THR 66 Cb -0.28 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.28 3d2u s THR 66 CO 0.35 0.00 1.94 -0.50 -0.54 0.00 0.00 174.62 175.87 3d2u h TRP 67 N 1.91 0.64 0.00 3.99 4.06 -1.97 -1.24 115.95 123.34 3d2u h TRP 67 Ca -0.40 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.57 3d2u h TRP 67 Cb 1.26 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3d2u h TRP 67 CO 0.98 0.30 -0.02 0.93 -3.56 0.00 0.00 178.44 177.07 3d2u h GLU 68 N 0.60 0.00 0.00 0.49 5.08 -2.01 -2.17 114.58 116.57 3d2u h GLU 68 Ca 0.34 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.57 3d2u h GLU 68 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3d2u h GLU 68 CO -0.12 0.02 -0.76 0.45 -1.00 0.00 0.00 179.01 177.60 3d2u h HIS 69 N 0.00 0.00 -2.93 4.33 3.86 -1.63 -3.47 115.15 115.32 3d2u h HIS 69 Ca -0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 3d2u h HIS 69 Cb 0.16 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.74 3d2u h HIS 69 CO 0.00 0.54 0.30 0.00 0.86 0.00 0.00 177.93 179.63 3d2u n ALA 70 N -2.27 0.50 0.00 2.45 0.00 -0.82 -4.92 120.51 115.45 3d2u n ALA 70 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3d2u n ALA 70 Cb 0.77 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3d2u n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d2u n GLY 71 N 1.02 -2.07 3.43 0.00 0.00 -0.66 -5.01 105.19 101.89 3d2u n GLY 71 Ca 0.07 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 3d2u n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d2u s ARG 72 N -1.94 3.37 0.27 1.61 3.52 -1.26 -0.27 118.95 124.24 3d2u s ARG 72 Ca 0.00 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 55.00 3d2u s ARG 72 Cb 0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3d2u s ARG 72 CO 0.00 -0.38 0.01 0.71 -0.81 0.00 0.00 175.30 174.83 3d2u s TYR 73 N 1.61 2.70 0.03 5.12 1.51 0.10 0.19 117.35 128.60 3d2u s TYR 73 Ca 0.05 -0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 3d2u s TYR 73 Cb -0.17 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3d2u s TYR 73 CO 0.06 0.59 0.24 1.03 -1.11 0.00 0.00 175.55 176.36 3d2u s ARG 74 N -3.69 0.70 0.18 -0.62 0.52 -0.73 -0.45 118.95 114.85 3d2u s ARG 74 Ca 0.32 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3d2u s ARG 74 Cb -0.06 0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.66 3d2u s ARG 74 CO 0.20 -0.20 -0.04 0.00 0.02 0.00 0.00 175.30 175.28 3d2u n TYR 76 N -0.27 -1.47 -3.89 0.00 0.18 -0.59 -0.37 117.16 110.75 3d2u n TYR 76 Ca -0.08 -0.67 -0.10 0.00 1.88 0.00 0.00 57.90 58.94 3d2u n TYR 76 Cb 0.62 0.33 -0.09 0.00 -0.38 0.00 0.00 39.34 39.83 3d2u n TYR 76 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 3d2u s TYR 77 N -6.50 0.14 -1.68 -3.48 -0.85 -1.26 0.31 117.35 104.04 3d2u s TYR 77 Ca 0.06 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 3d2u s TYR 77 Cb -0.02 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.23 3d2u s TYR 77 CO 0.04 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 3d2u n GLY 78 N 0.55 0.70 3.85 5.49 0.00 0.11 -1.05 105.19 114.84 3d2u n GLY 78 Ca -0.18 -2.19 -0.06 0.00 0.00 0.00 0.00 46.02 43.59 3d2u n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d2u s SER 79 N -2.07 0.02 0.10 1.61 1.04 -0.61 -4.89 113.70 108.90 3d2u s SER 79 Ca 0.00 -0.94 -0.20 0.00 0.48 0.00 0.00 55.95 55.29 3d2u s SER 79 Cb 0.00 0.68 -0.09 0.00 0.10 0.00 0.00 66.02 66.71 3d2u s SER 79 CO 0.00 -1.35 1.70 0.44 0.98 0.00 0.00 173.24 175.01 3d2u h ASP 80 N 2.00 0.20 -0.17 7.02 3.32 -2.01 0.42 116.42 127.20 3d2u h ASP 80 Ca -0.30 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.67 3d2u h ASP 80 Cb 1.23 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3d2u h ASP 80 CO 0.39 0.23 0.10 0.74 -1.72 0.00 0.00 179.24 178.98 3d2u h THR 81 N 0.16 1.02 0.00 0.35 2.02 -2.06 -3.20 112.91 111.21 3d2u h THR 81 Ca 0.06 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3d2u h THR 81 Cb 0.07 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3d2u h THR 81 CO -0.01 0.04 -0.69 0.00 0.37 0.00 0.00 175.52 175.23 3d2u h ALA 82 N 1.07 0.62 0.00 6.16 0.00 -1.92 -3.50 119.26 121.69 3d2u h ALA 82 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d2u h ALA 82 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3d2u h ALA 82 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3d2u n GLY 83 N 1.23 0.58 3.33 0.00 0.00 0.15 -4.79 105.19 105.69 3d2u n GLY 83 Ca 0.02 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 3d2u n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d2u s ARG 84 N -2.92 1.26 0.70 1.61 0.52 -1.25 -1.58 118.95 117.30 3d2u s ARG 84 Ca 0.00 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 53.90 3d2u s ARG 84 Cb 0.00 -1.56 0.10 0.00 0.52 0.00 0.00 34.95 34.01 3d2u s ARG 84 CO 0.00 0.36 0.98 -1.54 0.02 0.00 0.00 175.30 175.11 3d2u s SER 85 N -2.14 4.52 0.57 0.23 1.04 -0.21 -2.62 113.70 115.08 3d2u s SER 85 Ca 0.11 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.32 3d2u s SER 85 Cb -0.09 -0.39 -0.05 0.00 0.10 0.00 0.00 66.02 65.59 3d2u s SER 85 CO 0.06 -1.74 0.98 -1.83 0.98 0.00 0.00 173.24 171.69 3d2u s GLU 86 N -5.14 3.68 0.36 4.02 -1.05 -0.39 -4.70 118.70 115.49 3d2u s GLU 86 Ca 0.64 0.71 -0.26 0.00 -0.15 0.00 0.00 54.97 55.91 3d2u s GLU 86 Cb -0.07 -2.14 -0.09 0.00 -0.44 0.00 0.00 34.13 31.38 3d2u s GLU 86 CO 0.44 -0.43 1.09 -1.12 0.95 0.00 0.00 175.26 176.19 3d2u s SER 87 N -3.87 6.86 1.13 0.83 0.01 -1.26 -4.31 113.70 113.09 3d2u s SER 87 Ca 0.55 2.18 -0.14 0.00 1.31 0.00 0.00 55.95 59.85 3d2u s SER 87 Cb -0.11 -2.60 0.26 0.00 0.21 0.00 0.00 66.02 63.78 3d2u s SER 87 CO 0.47 -0.42 1.05 -0.94 0.41 0.00 0.00 173.24 173.80 3d2u s SER 88 N -1.26 1.39 0.68 2.44 1.04 0.51 -4.87 113.70 113.63 3d2u s SER 88 Ca 0.53 1.24 -0.16 0.00 0.48 0.00 0.00 55.95 58.05 3d2u s SER 88 Cb -0.27 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 63.94 3d2u s SER 88 CO 0.34 -3.91 1.18 -1.81 0.98 0.00 0.00 173.24 170.02 3d2u s ASP 89 N -3.04 4.67 0.39 7.02 -0.00 -1.26 -4.65 116.67 119.80 3d2u s ASP 89 Ca 0.67 2.25 -0.25 0.00 -0.00 0.00 0.00 52.55 55.22 3d2u s ASP 89 Cb -0.21 -2.58 -0.09 0.00 -0.00 0.00 0.00 42.92 40.05 3d2u s ASP 89 CO 0.61 -1.93 1.11 -2.16 -0.00 0.00 0.00 175.17 172.79 3d2u s PRO 90 N -3.85 4.16 -0.10 8.23 0.04 -1.26 -4.71 135.00 137.51 3d2u s PRO 90 Ca 0.73 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.49 3d2u s PRO 90 Cb -0.27 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3d2u s PRO 90 CO 0.41 -0.19 -0.22 -1.17 0.04 0.00 0.00 177.00 175.88 3d2u s LEU 91 N -2.45 2.02 -0.41 -3.56 0.20 0.41 -4.94 118.68 109.95 3d2u s LEU 91 Ca 0.56 -0.53 -0.16 0.00 0.69 0.00 0.00 54.13 54.69 3d2u s LEU 91 Cb -0.27 -1.33 0.02 0.00 -0.43 0.00 0.00 46.19 44.18 3d2u s LEU 91 CO 0.34 0.13 0.35 -1.61 -0.29 0.00 0.00 176.35 175.27 3d2u s GLU 92 N 0.47 3.07 -0.43 1.98 2.02 -1.26 0.02 118.70 124.57 3d2u s GLU 92 Ca -0.16 -0.88 -0.18 0.00 0.02 0.00 0.00 54.97 53.77 3d2u s GLU 92 Cb -0.17 -3.96 0.03 0.00 0.10 0.00 0.00 34.13 30.12 3d2u s GLU 92 CO 0.06 -0.76 0.49 -1.17 0.02 0.00 0.00 175.26 173.91 3d2u s LEU 93 N 1.87 4.81 -0.07 1.80 2.96 0.62 -4.77 118.68 125.89 3d2u s LEU 93 Ca 0.08 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3d2u s LEU 93 Cb -0.18 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 3d2u s LEU 93 CO 0.11 -0.65 0.15 -0.69 -1.32 0.00 0.00 176.35 173.96 3d2u s VAL 94 N 2.30 5.41 -0.13 1.68 1.01 0.13 -1.66 120.40 129.15 3d2u s VAL 94 Ca 0.14 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3d2u s VAL 94 Cb -0.17 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3d2u s VAL 94 CO 0.15 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.86 3d2u s VAL 95 N -1.14 2.40 0.26 2.92 1.01 -0.47 -0.79 120.40 124.59 3d2u s VAL 95 Ca 0.20 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.39 3d2u s VAL 95 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3d2u s VAL 95 CO 0.10 0.54 0.04 0.42 0.00 0.00 0.00 175.10 176.20 3d2u s THR 96 N 0.58 3.68 0.00 3.92 -4.23 0.17 -0.49 115.64 119.28 3d2u s THR 96 Ca -0.11 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3d2u s THR 96 Cb -0.16 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3d2u s THR 96 CO 0.03 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3d2u n GLY 97 N -0.94 0.81 0.15 3.99 0.00 -0.34 -1.06 105.19 107.80 3d2u n GLY 97 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 3d2u n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2u h ALA 98 N 0.00 0.89 -2.03 4.61 0.00 -1.65 -3.41 119.26 117.68 3d2u h ALA 98 Ca 0.00 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.87 3d2u h ALA 98 Cb 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.56 3d2u h ALA 98 CO 0.00 0.71 -0.67 0.71 0.00 0.00 0.00 179.25 180.00 3d2u s TYR 99 N -3.46 2.06 0.53 0.00 1.51 -1.26 -4.93 117.35 111.79 3d2u s TYR 99 Ca -0.00 -0.69 -0.22 0.00 -1.01 0.00 0.00 57.07 55.15 3d2u s TYR 99 Cb 0.11 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 3d2u s TYR 99 CO 0.74 0.31 1.31 0.96 -1.11 0.00 0.00 175.55 177.76 3d2u s ILE 100 N -2.96 2.32 0.36 2.71 -4.36 -1.26 -1.18 121.20 116.82 3d2u s ILE 100 Ca 0.31 0.24 -0.28 0.00 -0.26 0.00 0.00 60.65 60.65 3d2u s ILE 100 Cb 0.04 -3.12 -0.10 0.00 1.25 0.00 0.00 42.46 40.53 3d2u s ILE 100 CO 0.13 -0.00 1.34 -1.59 0.24 0.00 0.00 174.94 175.06 3d2u s LYS 101 N -2.88 4.22 0.94 0.37 -2.85 -1.26 -4.46 119.74 113.82 3d2u s LYS 101 Ca 0.70 2.28 -0.14 0.00 -1.00 0.00 0.00 55.97 57.81 3d2u s LYS 101 Cb -0.38 -2.98 0.20 0.00 -2.06 0.00 0.00 37.83 32.61 3d2u s LYS 101 CO 0.44 -0.33 1.29 -1.25 0.10 0.00 0.00 175.35 175.61 3d2u s PRO 102 N -1.95 0.71 -0.07 1.78 0.04 -1.26 -4.88 135.00 129.36 3d2u s PRO 102 Ca 0.51 -0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.06 3d2u s PRO 102 Cb -0.41 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3d2u s PRO 102 CO 0.54 -2.33 -0.18 0.95 0.04 0.00 0.00 177.00 176.02 3d2u s THR 103 N -3.81 1.54 -0.16 1.26 -4.23 0.14 -4.16 115.64 106.23 3d2u s THR 103 Ca 0.74 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 3d2u s THR 103 Cb -0.04 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 3d2u s THR 103 CO 0.52 0.44 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.81 3d2u s LEU 104 N 0.41 3.38 0.06 4.79 2.96 -1.26 -0.31 118.68 128.71 3d2u s LEU 104 Ca -0.14 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3d2u s LEU 104 Cb -0.16 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3d2u s LEU 104 CO 0.05 0.18 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.28 3d2u s SER 105 N 0.30 0.73 -0.34 3.68 1.04 -0.43 -4.89 113.70 113.80 3d2u s SER 105 Ca -0.02 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 55.32 3d2u s SER 105 Cb -0.14 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 3d2u s SER 105 CO 0.02 -0.48 0.55 0.00 0.98 0.00 0.00 173.24 174.32 3d2u s ALA 106 N -3.28 3.49 0.12 5.32 0.00 -1.26 0.20 121.76 126.35 3d2u s ALA 106 Ca 0.04 -0.90 -0.32 0.00 0.00 0.00 0.00 51.96 50.78 3d2u s ALA 106 Cb 0.03 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3d2u s ALA 106 CO -0.06 -1.19 1.56 0.37 0.00 0.00 0.00 175.76 176.44 3d2u h GLN 107 N 8.39 -0.55 0.21 0.00 4.15 0.33 -3.06 115.11 124.58 3d2u h GLN 107 Ca -0.27 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 3d2u h GLN 107 Cb 1.12 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3d2u h GLN 107 CO 0.78 -0.37 -0.10 -1.35 -1.93 0.00 0.00 178.83 175.87 3d2u h PRO 108 N -0.57 -0.27 -3.02 -2.39 0.11 -1.95 -3.49 132.00 120.41 3d2u h PRO 108 Ca 0.05 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3d2u h PRO 108 Cb 0.67 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.71 3d2u h PRO 108 CO -0.42 -0.01 0.10 0.45 -0.21 0.00 0.00 178.00 177.91 3d2u s SER 109 N -5.32 -0.45 0.00 -2.05 0.15 -1.16 -5.02 113.70 99.85 3d2u s SER 109 Ca -0.08 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 56.82 3d2u s SER 109 Cb 0.00 0.54 1.35 0.00 -1.71 0.00 0.00 66.02 66.21 3d2u s SER 109 CO 0.28 -0.87 1.94 -0.81 1.20 0.00 0.00 173.24 174.98 3d2u n PRO 110 N -0.13 0.30 -3.22 5.44 -0.04 -1.26 -4.60 135.00 131.49 3d2u n PRO 110 Ca -0.17 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.90 3d2u n PRO 110 Cb 0.63 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.52 3d2u n PRO 110 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3d2u s VAL 111 N -2.67 5.01 0.02 0.52 1.01 -1.26 -1.06 120.40 121.97 3d2u s VAL 111 Ca 0.23 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.81 3d2u s VAL 111 Cb 0.19 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3d2u s VAL 111 CO 0.44 -0.14 -0.21 -0.69 0.00 0.00 0.00 175.10 174.51 3d2u s VAL 112 N 2.41 1.64 0.39 2.92 1.01 0.59 -4.97 120.40 124.39 3d2u s VAL 112 Ca 0.20 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 3d2u s VAL 112 Cb -0.15 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 3d2u s VAL 112 CO 0.12 0.30 1.24 0.20 0.00 0.00 0.00 175.10 176.97 3d2u s ASN 113 N -0.90 6.47 0.32 3.32 0.01 -1.26 0.25 114.94 123.15 3d2u s ASN 113 Ca 0.08 2.52 -0.29 0.00 -0.71 0.00 0.00 52.86 54.45 3d2u s ASN 113 Cb -0.08 -2.63 -0.11 0.00 0.41 0.00 0.00 41.25 38.83 3d2u s ASN 113 CO 0.01 -0.73 1.57 -0.55 -1.51 0.00 0.00 177.10 175.89 3d2u s SER 114 N -0.88 6.34 0.00 -1.22 0.15 0.11 -0.59 113.70 117.60 3d2u s SER 114 Ca 0.56 3.01 0.00 0.00 0.70 0.00 0.00 55.95 60.22 3d2u s SER 114 Cb -0.35 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 3d2u s SER 114 CO 0.45 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.58 3d2u n GLY 115 N 1.58 0.98 3.91 9.45 0.00 0.22 -4.96 105.19 116.38 3d2u n GLY 115 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3d2u n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2u s GLY 116 N -1.91 1.63 -0.09 -0.02 0.00 0.24 -4.49 107.32 102.68 3d2u s GLY 116 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.05 3d2u s GLY 116 CO 0.00 -0.35 -0.14 -1.31 0.00 0.00 0.00 173.10 171.30 3d2u s ASN 117 N -4.38 4.03 0.21 1.64 0.02 -1.26 -0.35 114.94 114.85 3d2u s ASN 117 Ca 0.56 -0.25 0.10 0.00 -1.02 0.00 0.00 52.86 52.25 3d2u s ASN 117 Cb -0.11 -1.20 -0.05 0.00 0.02 0.00 0.00 41.25 39.91 3d2u s ASN 117 CO 0.46 0.26 -0.21 0.54 0.02 0.00 0.00 177.10 178.18 3d2u s VAL 118 N -0.23 2.19 -0.21 1.60 0.11 -0.22 -4.93 120.40 118.71 3d2u s VAL 118 Ca 0.01 -2.10 -0.09 0.00 -2.93 0.00 0.00 61.98 56.87 3d2u s VAL 118 Cb -0.13 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 3d2u s VAL 118 CO 0.03 -0.28 0.10 -0.89 -3.33 0.00 0.00 175.10 170.74 3d2u s THR 119 N -2.07 5.02 -0.13 5.04 2.01 -1.26 -0.94 115.64 123.30 3d2u s THR 119 Ca 0.22 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 3d2u s THR 119 Cb -0.06 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3d2u s THR 119 CO 0.10 0.41 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 3d2u s LEU 120 N 0.69 3.36 -0.15 4.42 1.43 0.94 0.10 118.68 129.48 3d2u s LEU 120 Ca 0.05 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3d2u s LEU 120 Cb -0.13 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3d2u s LEU 120 CO 0.01 0.24 -0.20 -1.58 0.23 0.00 0.00 176.35 175.05 3d2u s GLN 121 N -0.05 3.08 -0.32 1.70 0.74 0.13 -0.54 119.66 124.40 3d2u s GLN 121 Ca 0.02 -0.82 -0.10 0.00 0.05 0.00 0.00 55.36 54.51 3d2u s GLN 121 Cb -0.13 -2.50 -0.01 0.00 1.10 0.00 0.00 33.01 31.47 3d2u s GLN 121 CO 0.02 -0.01 0.17 0.00 -0.55 0.00 0.00 175.29 174.92 3d2u s ASP 123 N 1.64 5.04 -0.06 0.00 -0.00 0.58 -1.85 116.67 122.02 3d2u s ASP 123 Ca 0.05 0.03 0.03 0.00 -0.00 0.00 0.00 52.55 52.66 3d2u s ASP 123 Cb -0.17 -1.57 0.01 0.00 -0.00 0.00 0.00 42.92 41.18 3d2u s ASP 123 CO 0.07 0.29 -0.14 -0.55 -0.00 0.00 0.00 175.17 174.84 3d2u s SER 124 N -0.36 1.94 0.00 0.27 0.15 -1.26 0.26 113.70 114.70 3d2u s SER 124 Ca 0.07 -0.32 0.29 0.00 0.70 0.00 0.00 55.95 56.68 3d2u s SER 124 Cb -0.12 -0.74 1.23 0.00 -1.71 0.00 0.00 66.02 64.68 3d2u s SER 124 CO 0.02 0.09 1.85 0.00 1.20 0.00 0.00 173.24 176.40 3d2u n GLN 125 N 3.51 1.35 -4.40 5.44 1.13 -1.26 -4.69 117.38 118.46 3d2u n GLN 125 Ca -0.20 -0.64 -0.34 0.00 -1.94 0.00 0.00 57.00 53.88 3d2u n GLN 125 Cb 0.52 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 3d2u n GLN 125 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3d2u s VAL 126 N -2.09 4.00 -0.04 5.09 1.01 -1.26 -5.06 120.40 122.05 3d2u s VAL 126 Ca 0.38 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3d2u s VAL 126 Cb 0.21 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3d2u s VAL 126 CO 0.37 0.52 1.69 0.00 0.00 0.00 0.00 175.10 177.69 3d2u s ALA 127 N 0.03 3.61 -0.01 5.51 0.00 -1.26 -4.97 121.76 124.68 3d2u s ALA 127 Ca 0.01 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 3d2u s ALA 127 Cb -0.13 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.24 3d2u s ALA 127 CO 0.02 -1.41 0.16 -0.06 0.00 0.00 0.00 175.76 174.47 3d2u s PHE 128 N 4.04 -0.00 -0.64 0.00 2.99 -1.26 -4.99 117.98 118.12 3d2u s PHE 128 Ca 0.75 -0.03 0.15 0.00 0.00 0.00 0.00 56.93 57.79 3d2u s PHE 128 Cb -0.35 -0.02 -0.16 0.00 0.00 0.00 0.00 43.02 42.49 3d2u s PHE 128 CO 0.31 -0.27 0.60 -0.40 -0.00 0.00 0.00 175.22 175.46 3d2u n ASP 129 N 1.61 0.75 -4.41 1.36 5.75 -1.20 -4.72 116.55 115.70 3d2u n ASP 129 Ca -0.21 -0.78 -0.32 0.00 -0.01 0.00 0.00 54.79 53.46 3d2u n ASP 129 Cb 0.56 1.05 -0.14 0.00 -1.03 0.00 0.00 41.12 41.56 3d2u n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3d2u s GLY 130 N -2.48 1.44 0.01 6.12 0.00 -0.27 -4.88 107.32 107.27 3d2u s GLY 130 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3d2u s GLY 130 CO 0.60 -0.75 -0.05 -1.36 0.00 0.00 0.00 173.10 171.55 3d2u s PHE 131 N -0.55 0.40 -0.05 1.90 0.40 -1.10 -0.93 117.98 118.05 3d2u s PHE 131 Ca 0.08 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 3d2u s PHE 131 Cb -0.11 -0.26 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 3d2u s PHE 131 CO 0.01 -0.05 -0.18 0.42 0.70 0.00 0.00 175.22 176.12 3d2u s ILE 132 N -0.59 1.53 -0.14 0.64 -1.09 0.56 -1.87 121.20 120.24 3d2u s ILE 132 Ca -0.04 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.63 3d2u s ILE 132 Cb -0.05 -1.32 -0.01 0.00 -1.58 0.00 0.00 42.46 39.50 3d2u s ILE 132 CO -0.00 0.44 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.79 3d2u s LEU 133 N 0.15 2.59 -0.08 2.97 2.96 0.11 -1.26 118.68 126.12 3d2u s LEU 133 Ca -0.07 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3d2u s LEU 133 Cb -0.13 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3d2u s LEU 133 CO 0.03 0.12 -0.17 0.00 -1.32 0.00 0.00 176.35 175.02 3d2u s LYS 135 N 0.57 4.53 0.32 0.00 2.20 -0.78 -2.29 119.74 124.29 3d2u s LYS 135 Ca -0.16 1.13 0.05 0.00 -0.36 0.00 0.00 55.97 56.64 3d2u s LYS 135 Cb -0.17 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 3d2u s LYS 135 CO 0.05 0.30 0.00 -2.00 -0.36 0.00 0.00 175.35 173.34 3d2u s GLU 136 N -0.13 1.65 0.00 4.03 2.12 0.75 -4.22 118.70 122.89 3d2u s GLU 136 Ca 0.40 -1.89 0.00 0.00 0.36 0.00 0.00 54.97 53.84 3d2u s GLU 136 Cb -0.21 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.09 3d2u s GLU 136 CO 0.24 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 3d2u n GLY 137 N -0.68 0.51 1.36 -1.50 0.00 -1.26 -4.06 105.19 99.55 3d2u n GLY 137 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3d2u n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d2u n GLU 138 N -1.64 0.00 0.00 1.61 1.02 -1.26 -5.07 120.64 115.30 3d2u n GLU 138 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3d2u n GLU 138 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3d2u n GLU 138 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3d2u n GLN 143 N -2.02 0.00 -4.45 3.49 6.02 -1.26 -5.22 117.38 113.94 3d2u n GLN 143 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 3d2u n GLN 143 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 3d2u n GLN 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d2u s LEU 145 N -1.50 2.60 0.49 0.00 1.43 0.27 -4.92 118.68 117.06 3d2u s LEU 145 Ca 0.06 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3d2u s LEU 145 Cb -0.09 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3d2u s LEU 145 CO 0.03 0.33 0.78 0.21 0.23 0.00 0.00 176.35 177.93 3d2u s ASN 146 N -0.82 6.06 0.00 2.29 2.47 -1.26 0.07 114.94 123.75 3d2u s ASN 146 Ca 0.12 0.77 0.00 0.00 0.42 0.00 0.00 52.86 54.17 3d2u s ASN 146 Cb -0.10 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 3d2u s ASN 146 CO 0.01 -0.69 0.00 -0.24 -3.72 0.00 0.00 177.10 172.46 3d2u n SER 147 N -2.29 0.00 -2.23 -4.21 2.88 -0.78 -4.90 113.62 102.09 3d2u n SER 147 Ca 0.01 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.35 3d2u n SER 147 Cb 0.56 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.03 3d2u n SER 147 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3d2u n ARG 156 N 0.00 0.00 -4.22 -1.46 3.00 -1.26 -2.70 116.66 110.02 3d2u n ARG 156 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 3d2u n ARG 156 Cb 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 32.46 31.82 3d2u n ARG 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d2u s ALA 157 N -1.07 1.32 -0.07 5.13 0.00 -0.77 -4.97 121.76 121.33 3d2u s ALA 157 Ca 0.27 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3d2u s ALA 157 Cb -0.20 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3d2u s ALA 157 CO 0.39 -0.03 -0.19 0.42 0.00 0.00 0.00 175.76 176.35 3d2u s ILE 158 N -2.69 1.65 0.03 0.00 -1.09 -1.26 -1.41 121.20 116.42 3d2u s ILE 158 Ca 0.10 -0.81 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 3d2u s ILE 158 Cb -0.01 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.42 3d2u s ILE 158 CO 0.01 0.47 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.63 3d2u s PHE 159 N 0.22 1.74 -0.13 3.97 0.40 0.30 -4.97 117.98 119.50 3d2u s PHE 159 Ca -0.10 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 55.82 3d2u s PHE 159 Cb -0.15 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 3d2u s PHE 159 CO 0.05 0.06 0.02 0.45 0.70 0.00 0.00 175.22 176.50 3d2u s SER 160 N -1.04 5.37 0.05 1.36 0.15 -1.26 -0.04 113.70 118.28 3d2u s SER 160 Ca 0.07 0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.86 3d2u s SER 160 Cb -0.08 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 3d2u s SER 160 CO 0.01 0.27 -0.14 -0.69 1.20 0.00 0.00 173.24 173.90 3d2u s VAL 161 N -0.22 1.06 -1.91 4.45 1.01 -0.12 -4.98 120.40 119.70 3d2u s VAL 161 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3d2u s VAL 161 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3d2u s VAL 161 CO 0.02 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.60 3d2u n GLY 162 N 1.60 0.64 3.74 4.51 0.00 -1.26 -1.05 105.19 113.37 3d2u n GLY 162 Ca -0.20 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 3d2u n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d2u s PRO 163 N -0.83 4.28 0.56 1.61 0.04 -1.26 -5.01 135.00 134.39 3d2u s PRO 163 Ca 0.00 2.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.22 3d2u s PRO 163 Cb 0.00 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 3d2u s PRO 163 CO 0.00 -0.42 0.93 0.14 0.04 0.00 0.00 177.00 177.69 3d2u s VAL 164 N 0.19 4.72 0.00 -0.36 -7.23 0.53 -4.81 120.40 113.44 3d2u s VAL 164 Ca 0.60 0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 61.29 3d2u s VAL 164 Cb -0.41 -3.84 -0.01 0.00 0.56 0.00 0.00 36.38 32.68 3d2u s VAL 164 CO 0.41 -0.99 0.07 -0.94 -0.31 0.00 0.00 175.10 173.34 3d2u s SER 165 N -4.16 0.09 0.00 4.85 1.04 -1.26 0.71 113.70 114.97 3d2u s SER 165 Ca 0.52 -0.27 0.31 0.00 0.48 0.00 0.00 55.95 56.99 3d2u s SER 165 Cb -0.11 0.16 1.70 0.00 0.10 0.00 0.00 66.02 67.87 3d2u s SER 165 CO 0.50 -0.30 2.13 -0.81 0.98 0.00 0.00 173.24 175.74 3d2u n PRO 166 N 1.72 0.71 0.21 4.02 -0.04 -1.26 -3.38 135.00 136.98 3d2u n PRO 166 Ca -0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.37 3d2u n PRO 166 Cb 0.56 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.71 3d2u n PRO 166 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3d2u h SER 167 N 0.00 0.00 -3.17 3.54 4.64 -1.95 -3.47 113.55 113.14 3d2u h SER 167 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3d2u h SER 167 Cb 0.14 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.10 3d2u h SER 167 CO 0.00 0.00 -0.56 -0.13 -0.87 0.00 0.00 176.83 175.27 3d2u s ARG 168 N -3.21 1.78 0.16 4.77 3.00 -1.22 -5.14 118.95 119.09 3d2u s ARG 168 Ca 0.07 -2.04 -0.16 0.00 0.00 0.00 0.00 55.73 53.60 3d2u s ARG 168 Cb 0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 34.95 34.20 3d2u s ARG 168 CO 0.66 -0.33 0.59 -0.98 0.00 0.00 0.00 175.30 175.24 3d2u s ARG 169 N -3.82 4.04 -0.51 3.54 1.70 -1.26 -4.86 118.95 117.79 3d2u s ARG 169 Ca 0.30 0.58 0.03 0.00 -0.47 0.00 0.00 55.73 56.17 3d2u s ARG 169 Cb 0.06 -2.93 0.14 0.00 -0.57 0.00 0.00 34.95 31.65 3d2u s ARG 169 CO 0.14 0.47 0.31 -1.58 -1.08 0.00 0.00 175.30 173.56 3d2u s TRP 170 N -1.47 2.44 -0.10 5.89 0.52 -1.26 -5.05 118.94 119.91 3d2u s TRP 170 Ca 0.39 -2.74 0.00 0.00 0.02 0.00 0.00 56.10 53.76 3d2u s TRP 170 Cb -0.15 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 3d2u s TRP 170 CO 0.19 -0.73 -0.11 -1.58 0.02 0.00 0.00 176.95 174.75 3d2u s TRP 171 N -0.17 2.85 0.05 -1.98 0.51 -1.26 -1.09 118.94 117.85 3d2u s TRP 171 Ca 0.21 -0.35 -0.02 0.00 -2.12 0.00 0.00 56.10 53.82 3d2u s TRP 171 Cb -0.17 -1.79 -0.04 0.00 -0.81 0.00 0.00 33.47 30.66 3d2u s TRP 171 CO -0.05 0.01 -0.01 0.71 -0.51 0.00 0.00 176.95 177.10 3d2u s TYR 172 N -0.11 0.48 0.01 -1.98 1.51 0.24 -0.18 117.35 117.32 3d2u s TYR 172 Ca -0.00 -1.01 -0.09 0.00 -1.01 0.00 0.00 57.07 54.96 3d2u s TYR 172 Cb -0.13 -0.35 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 3d2u s TYR 172 CO 0.03 -0.39 0.18 1.03 -1.11 0.00 0.00 175.55 175.30 3d2u s ARG 173 N -3.82 0.59 0.20 -0.62 0.52 -0.97 -0.26 118.95 114.58 3d2u s ARG 173 Ca 0.06 -0.45 0.06 0.00 -0.52 0.00 0.00 55.73 54.88 3d2u s ARG 173 Cb 0.07 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.74 3d2u s ARG 173 CO -0.10 -0.15 -0.10 0.00 0.02 0.00 0.00 175.30 174.97 3d2u s TYR 175 N -3.18 0.96 0.21 0.00 1.51 -0.39 -1.10 117.35 115.36 3d2u s TYR 175 Ca 0.22 -0.62 0.10 0.00 -1.01 0.00 0.00 57.07 55.77 3d2u s TYR 175 Cb 0.02 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 3d2u s TYR 175 CO 0.05 -0.03 -0.13 0.00 -1.11 0.00 0.00 175.55 174.34 3d2u s ALA 176 N -2.13 2.87 0.18 3.71 0.00 -1.26 -0.32 121.76 124.81 3d2u s ALA 176 Ca 0.01 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.15 3d2u s ALA 176 Cb -0.05 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.53 3d2u s ALA 176 CO -0.00 0.40 0.79 1.52 0.00 0.00 0.00 175.76 178.47 3d2u s TYR 177 N -1.90 -0.26 -0.23 0.00 -0.85 -0.11 -1.34 117.35 112.68 3d2u s TYR 177 Ca 0.26 -0.07 -0.12 0.00 -0.52 0.00 0.00 57.07 56.62 3d2u s TYR 177 Cb -0.08 0.64 -0.05 0.00 0.38 0.00 0.00 41.96 42.85 3d2u s TYR 177 CO 0.15 -0.95 0.21 0.34 -1.52 0.00 0.00 175.55 173.77 3d2u s ASP 178 N -2.84 6.20 0.29 -0.18 -1.08 -1.26 -1.11 116.67 116.68 3d2u s ASP 178 Ca 0.09 0.21 0.19 0.00 -0.52 0.00 0.00 52.55 52.52 3d2u s ASP 178 Cb -0.03 -2.13 1.02 0.00 -1.46 0.00 0.00 42.92 40.32 3d2u s ASP 178 CO -0.00 0.05 1.56 -1.54 0.52 0.00 0.00 175.17 175.76 3d2u n SER 179 N 4.24 0.49 0.17 -0.34 3.41 -1.26 -0.18 113.62 120.16 3d2u n SER 179 Ca -0.14 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3d2u n SER 179 Cb 0.52 -0.77 0.28 0.00 -0.26 0.00 0.00 64.21 63.97 3d2u n SER 179 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3d2u h ASN 180 N 0.00 0.00 -2.02 4.04 -0.26 -2.02 -3.31 115.58 112.01 3d2u h ASN 180 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 3d2u h ASN 180 Cb 0.06 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.92 3d2u h ASN 180 CO 0.00 0.00 -1.11 -1.20 -1.06 0.00 0.00 177.43 174.06 3d2u n SER 181 N -2.76 0.82 0.10 5.81 7.64 0.75 -5.00 113.62 120.99 3d2u n SER 181 Ca 0.05 -2.92 0.06 0.00 1.01 0.00 0.00 58.87 57.07 3d2u n SER 181 Cb 0.48 -0.63 0.32 0.00 -1.01 0.00 0.00 64.21 63.38 3d2u n SER 181 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3d2u n PRO 182 N 0.76 0.08 -0.41 1.43 -0.04 -1.01 -2.27 135.00 133.53 3d2u n PRO 182 Ca 0.24 0.55 0.08 0.00 -0.04 0.00 0.00 63.50 64.33 3d2u n PRO 182 Cb 0.58 -1.82 0.26 0.00 -0.04 0.00 0.00 33.50 32.48 3d2u n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3d2u n TYR 183 N -1.91 0.96 -3.99 0.54 4.01 -1.26 -4.81 117.16 110.70 3d2u n TYR 183 Ca -0.01 -0.65 -0.31 0.00 -0.16 0.00 0.00 57.90 56.78 3d2u n TYR 183 Cb 0.09 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 38.78 3d2u n TYR 183 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3d2u s GLU 184 N -1.81 1.59 0.28 -0.72 2.12 -0.96 -1.36 118.70 117.83 3d2u s GLU 184 Ca 0.39 -1.53 0.07 0.00 0.36 0.00 0.00 54.97 54.26 3d2u s GLU 184 Cb 0.26 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 3d2u s GLU 184 CO 0.17 -0.81 0.30 -1.58 -0.54 0.00 0.00 175.26 172.80 3d2u s TRP 185 N 1.11 3.14 1.03 5.30 0.51 0.36 -4.52 118.94 125.87 3d2u s TRP 185 Ca 0.04 -0.15 -0.17 0.00 -2.12 0.00 0.00 56.10 53.69 3d2u s TRP 185 Cb -0.19 -1.63 0.26 0.00 -0.81 0.00 0.00 33.47 31.10 3d2u s TRP 185 CO -0.09 0.34 0.91 -1.13 -0.51 0.00 0.00 176.95 176.46 3d2u n SER 186 N -1.35 -1.97 -4.79 2.95 3.41 -0.45 -1.20 113.62 110.22 3d2u n SER 186 Ca -0.05 -1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 57.20 3d2u n SER 186 Cb 0.58 -0.84 0.07 0.00 -0.26 0.00 0.00 64.21 63.76 3d2u n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d2u s LEU 187 N 0.00 3.13 0.38 1.04 1.43 -0.33 -2.15 118.68 122.18 3d2u s LEU 187 Ca 0.59 1.75 -0.23 0.00 -1.03 0.00 0.00 54.13 55.21 3d2u s LEU 187 Cb -0.06 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.54 3d2u s LEU 187 CO 0.45 -1.70 0.96 -2.16 0.23 0.00 0.00 176.35 174.13 3d2u s PRO 188 N -4.85 4.36 1.11 1.29 0.04 -1.26 -4.25 135.00 131.44 3d2u s PRO 188 Ca 0.60 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 3d2u s PRO 188 Cb -0.16 -2.47 0.25 0.00 0.04 0.00 0.00 34.50 32.16 3d2u s PRO 188 CO 0.53 0.08 1.05 -1.54 0.04 0.00 0.00 177.00 177.16 3d2u s SER 189 N -1.88 1.55 0.88 6.66 1.04 -0.26 -4.73 113.70 116.96 3d2u s SER 189 Ca 0.57 1.40 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 3d2u s SER 189 Cb -0.14 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 63.96 3d2u s SER 189 CO 0.19 -3.83 1.12 -1.81 0.98 0.00 0.00 173.24 169.89 3d2u s ASP 190 N -2.86 3.40 0.06 7.02 1.01 -1.26 -4.61 116.67 119.42 3d2u s ASP 190 Ca 0.67 2.01 -0.30 0.00 0.71 0.00 0.00 52.55 55.63 3d2u s ASP 190 Cb -0.23 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 3d2u s ASP 190 CO 0.62 -2.77 1.16 -0.22 0.21 0.00 0.00 175.17 174.17 3d2u s LEU 191 N -6.38 4.38 -0.22 1.23 2.96 -1.26 -4.64 118.68 114.75 3d2u s LEU 191 Ca 0.65 1.97 -0.06 0.00 -0.22 0.00 0.00 54.13 56.46 3d2u s LEU 191 Cb -0.21 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 3d2u s LEU 191 CO 0.58 -0.42 0.04 -0.22 -1.32 0.00 0.00 176.35 175.01 3d2u s LEU 192 N 0.92 3.37 -0.20 -0.68 2.96 0.64 -4.95 118.68 120.73 3d2u s LEU 192 Ca 0.57 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 3d2u s LEU 192 Cb -0.28 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3d2u s LEU 192 CO 0.30 0.02 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.67 3d2u s GLU 193 N 1.28 3.36 0.34 1.98 2.02 -1.26 -0.59 118.70 125.83 3d2u s GLU 193 Ca 0.04 -0.64 -0.25 0.00 0.02 0.00 0.00 54.97 54.13 3d2u s GLU 193 Cb -0.15 -2.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 3d2u s GLU 193 CO 0.02 -0.13 0.97 -0.51 0.02 0.00 0.00 175.26 175.63 3d2u s LEU 194 N 1.28 4.28 -0.34 1.80 1.43 -0.25 -4.97 118.68 121.91 3d2u s LEU 194 Ca 0.03 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 54.94 3d2u s LEU 194 Cb -0.14 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.04 3d2u s LEU 194 CO -0.03 -0.18 0.14 -0.22 0.23 0.00 0.00 176.35 176.29 3d2u s LEU 195 N -2.22 4.35 -0.32 1.79 2.96 -0.23 -4.67 118.68 120.34 3d2u s LEU 195 Ca 0.52 -0.98 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 3d2u s LEU 195 Cb -0.19 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3d2u s LEU 195 CO 0.25 -0.31 0.41 -0.69 -1.32 0.00 0.00 176.35 174.69 3d2u s VAL 196 N 1.48 5.12 0.20 1.68 1.01 -1.26 -0.30 120.40 128.33 3d2u s VAL 196 Ca 0.01 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3d2u s VAL 196 Cb -0.19 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3d2u s VAL 196 CO 0.04 -0.06 1.02 -0.76 0.00 0.00 0.00 175.10 175.33 3d2u s LEU 197 N 2.15 4.56 0.00 3.92 1.02 0.14 -4.65 118.68 125.82 3d2u s LEU 197 Ca 0.15 2.01 0.00 0.00 0.02 0.00 0.00 54.13 56.31 3d2u s LEU 197 Cb -0.16 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.44 3d2u s LEU 197 CO 0.12 -0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.05