#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uei s PRO 20 N 0.00 2.11 -0.42 5.31 0.02 -1.26 -4.96 135.00 135.80 1uei s PRO 20 Ca 0.00 1.62 -0.18 0.00 0.02 0.00 0.00 61.00 62.46 1uei s PRO 20 Cb 0.00 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.69 1uei s PRO 20 CO 0.00 -1.83 0.50 0.12 -0.33 0.00 0.00 177.00 175.46 1uei s PHE 21 N -2.21 3.14 -0.16 6.54 5.36 0.13 -4.96 117.98 125.83 1uei s PHE 21 Ca 0.71 -0.22 -0.21 0.00 -0.96 0.00 0.00 56.93 56.24 1uei s PHE 21 Cb -0.26 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 1uei s PHE 21 CO 0.47 -0.72 0.64 -0.51 -1.46 0.00 0.00 175.22 173.64 1uei s LEU 22 N 2.34 4.19 -0.17 6.12 2.01 -1.26 -0.85 118.68 131.06 1uei s LEU 22 Ca 0.15 0.92 0.01 0.00 0.01 0.00 0.00 54.13 55.22 1uei s LEU 22 Cb -0.16 -2.93 0.03 0.00 0.01 0.00 0.00 46.19 43.14 1uei s LEU 22 CO 0.15 -0.22 -0.15 -0.63 1.01 0.00 0.00 176.35 176.51 1uei s ILE 23 N 1.58 1.75 -0.06 -0.59 1.01 0.74 0.12 121.20 125.75 1uei s ILE 23 Ca 0.31 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 1uei s ILE 23 Cb -0.16 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1uei s ILE 23 CO 0.12 0.42 0.38 -0.83 0.00 0.00 0.00 174.94 175.03 1uei s GLY 24 N 1.40 2.40 -0.09 6.18 0.00 0.29 -0.45 107.32 117.05 1uei s GLY 24 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1uei s GLY 24 CO -0.11 0.27 -0.12 0.14 0.00 0.00 0.00 173.10 173.29 1uei s VAL 25 N -0.51 1.23 0.11 1.40 1.01 0.30 -0.10 120.40 123.83 1uei s VAL 25 Ca 0.22 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1uei s VAL 25 Cb -0.15 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1uei s VAL 25 CO 0.11 0.39 0.05 -0.24 0.00 0.00 0.00 175.10 175.40 1uei n SER 26 N 4.28 0.75 0.00 3.32 2.88 0.13 -1.71 113.62 123.27 1uei n SER 26 Ca -0.19 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 1uei n SER 26 Cb 0.51 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1uei n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uei n GLY 27 N 1.13 2.37 3.67 0.46 0.00 -1.26 0.33 105.19 111.89 1uei n GLY 27 Ca -0.01 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1uei n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uei s GLY 28 N 0.00 1.64 0.28 -0.02 0.00 -1.26 -4.34 107.32 103.62 1uei s GLY 28 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 1uei s GLY 28 CO 0.00 -0.19 1.58 -1.08 0.00 0.00 0.00 173.10 173.41 1uei s THR 29 N -3.24 2.14 -1.54 0.90 -1.32 -1.26 -2.39 115.64 108.92 1uei s THR 29 Ca 0.72 0.12 -0.01 0.00 -1.21 0.00 0.00 61.69 61.32 1uei s THR 29 Cb -0.07 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1uei s THR 29 CO 0.55 0.02 0.05 0.00 -2.21 0.00 0.00 174.62 173.03 1uei n ALA 30 N 2.33 -0.70 0.74 11.08 0.00 -1.26 -4.75 120.51 127.95 1uei n ALA 30 Ca 0.09 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1uei n ALA 30 Cb 0.38 -2.12 0.48 0.00 0.00 0.00 0.00 19.45 18.18 1uei n ALA 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uei n SER 31 N -2.00 0.53 0.00 0.00 3.41 -1.01 -4.61 113.62 109.94 1uei n SER 31 Ca -0.20 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1uei n SER 31 Cb 0.66 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1uei n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uei n GLY 32 N 1.28 1.70 0.33 5.00 0.00 -1.26 -4.68 105.19 107.56 1uei n GLY 32 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1uei n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uei h LYS 33 N 0.00 1.14 -0.13 1.61 1.57 -1.90 -1.77 116.57 117.09 1uei h LYS 33 Ca 0.00 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1uei h LYS 33 Cb 0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1uei h LYS 33 CO 0.00 0.89 0.02 0.77 -0.57 0.00 0.00 179.45 180.56 1uei h SER 34 N 1.12 0.21 -0.56 0.86 0.02 -1.96 -1.83 113.55 111.40 1uei h SER 34 Ca 0.27 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1uei h SER 34 Cb 0.12 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1uei h SER 34 CO -0.03 0.41 0.30 0.28 -1.14 0.00 0.00 176.83 176.65 1uei h SER 35 N -0.00 0.45 -0.65 3.07 0.02 -1.95 -0.22 113.55 114.27 1uei h SER 35 Ca 0.04 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1uei h SER 35 Cb 0.29 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1uei h SER 35 CO 0.00 0.31 0.36 0.58 -1.14 0.00 0.00 176.83 176.94 1uei h VAL 36 N 0.59 0.96 -0.73 2.27 2.07 -1.21 0.15 116.25 120.34 1uei h VAL 36 Ca 0.24 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1uei h VAL 36 Cb 0.12 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1uei h VAL 36 CO -0.15 0.12 0.30 0.00 0.02 0.00 0.00 177.57 177.86 1uei h ALA 38 N 1.26 0.37 -0.45 0.00 0.00 -0.07 -1.88 119.26 118.48 1uei h ALA 38 Ca 0.25 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1uei h ALA 38 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1uei h ALA 38 CO -0.02 0.19 0.06 1.57 0.00 0.00 0.00 179.25 181.05 1uei h LYS 39 N 0.27 0.71 -0.24 0.00 -0.00 -0.55 0.24 116.57 117.00 1uei h LYS 39 Ca 0.07 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.65 60.54 1uei h LYS 39 Cb 0.56 -0.10 -0.01 0.00 -0.00 0.00 0.00 32.23 32.67 1uei h LYS 39 CO 0.03 0.68 0.05 0.82 -0.00 0.00 0.00 179.45 181.03 1uei h ILE 40 N 0.68 1.21 -0.66 0.07 2.04 -1.06 -0.80 117.51 118.99 1uei h ILE 40 Ca 0.15 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1uei h ILE 40 Cb 0.33 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1uei h ILE 40 CO 0.01 0.22 0.23 0.58 0.00 0.00 0.00 178.15 179.19 1uei h VAL 41 N 0.21 1.25 -0.78 1.67 2.07 -0.91 -0.96 116.25 118.79 1uei h VAL 41 Ca 0.07 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.85 1uei h VAL 41 Cb 0.29 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1uei h VAL 41 CO 0.00 0.32 0.46 -0.61 0.02 0.00 0.00 177.57 177.76 1uei h GLN 42 N 0.95 0.81 0.00 1.57 4.15 -0.29 -2.47 115.11 119.83 1uei h GLN 42 Ca 0.22 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1uei h GLN 42 Cb 0.25 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1uei h GLN 42 CO -0.01 0.53 -0.32 -0.07 -1.93 0.00 0.00 178.83 177.04 1uei h LEU 43 N 0.83 0.00 0.00 -2.39 3.38 -0.80 -3.51 115.31 112.82 1uei h LEU 43 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1uei h LEU 43 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1uei h LEU 43 CO -0.19 0.31 0.01 0.18 0.09 0.00 0.00 178.44 178.85 1uei n LEU 44 N -3.18 0.00 -4.56 1.67 4.77 -0.40 -5.07 117.00 110.24 1uei n LEU 44 Ca 0.03 -0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.58 1uei n LEU 44 Cb 0.66 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1uei n LEU 44 CO 0.38 -0.91 -0.33 -1.58 -1.33 0.00 0.00 177.39 173.62 1uei s GLN 53 N -3.18 3.52 -0.10 3.23 -0.44 -1.26 -5.05 119.66 116.39 1uei s GLN 53 Ca 0.05 -0.47 -0.14 0.00 -2.50 0.00 0.00 55.36 52.29 1uei s GLN 53 Cb -0.00 -2.91 -0.05 0.00 -1.64 0.00 0.00 33.01 28.40 1uei s GLN 53 CO 0.04 0.37 0.35 0.15 0.50 0.00 0.00 175.29 176.70 1uei s LYS 54 N 0.03 4.10 -0.11 1.67 -0.14 -1.26 -5.06 119.74 118.97 1uei s LYS 54 Ca 0.02 0.24 -0.26 0.00 -1.36 0.00 0.00 55.97 54.61 1uei s LYS 54 Cb -0.13 -3.35 -0.02 0.00 -1.68 0.00 0.00 37.83 32.65 1uei s LYS 54 CO 0.02 0.41 0.82 -0.65 -0.76 0.00 0.00 175.35 175.19 1uei s GLN 55 N -0.10 4.39 0.02 1.68 -1.52 -1.26 -4.95 119.66 117.92 1uei s GLN 55 Ca 0.20 1.05 0.05 0.00 -1.95 0.00 0.00 55.36 54.72 1uei s GLN 55 Cb -0.14 -3.51 -0.02 0.00 -0.22 0.00 0.00 33.01 29.11 1uei s GLN 55 CO 0.08 -0.16 -0.16 0.08 -0.25 0.00 0.00 175.29 174.88 1uei s VAL 56 N 1.54 1.30 0.01 1.09 1.01 -1.26 -0.70 120.40 123.38 1uei s VAL 56 Ca 0.41 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1uei s VAL 56 Cb -0.18 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1uei s VAL 56 CO 0.17 0.17 -0.02 0.54 0.00 0.00 0.00 175.10 175.96 1uei s VAL 57 N -0.68 0.11 -0.20 2.92 0.11 -0.91 -5.01 120.40 116.74 1uei s VAL 57 Ca 0.05 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1uei s VAL 57 Cb -0.07 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1uei s VAL 57 CO 0.01 -0.14 -0.04 -0.63 -3.33 0.00 0.00 175.10 170.97 1uei s ILE 58 N -0.47 3.53 0.10 7.04 1.01 -1.26 -1.32 121.20 129.83 1uei s ILE 58 Ca -0.04 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.25 1uei s ILE 58 Cb -0.03 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1uei s ILE 58 CO -0.00 0.44 -0.25 -0.76 0.00 0.00 0.00 174.94 174.38 1uei s LEU 59 N 1.09 2.38 0.10 2.97 1.43 0.91 -4.98 118.68 122.57 1uei s LEU 59 Ca 0.01 -0.66 0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1uei s LEU 59 Cb -0.15 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1uei s LEU 59 CO 0.00 0.20 -0.23 -0.94 0.23 0.00 0.00 176.35 175.62 1uei s SER 60 N -1.85 3.54 0.45 2.29 1.04 -1.26 -1.82 113.70 116.10 1uei s SER 60 Ca 0.14 -0.61 0.18 0.00 0.48 0.00 0.00 55.95 56.14 1uei s SER 60 Cb -0.10 -0.39 1.06 0.00 0.10 0.00 0.00 66.02 66.69 1uei s SER 60 CO 0.06 0.21 1.98 -0.61 0.98 0.00 0.00 173.24 175.85 1uei h GLN 61 N 4.10 0.00 -0.49 4.02 4.15 -0.59 -2.79 115.11 123.51 1uei h GLN 61 Ca -0.49 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.03 1uei h GLN 61 Cb 1.16 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 1uei h GLN 61 CO 0.43 0.21 0.34 -0.44 -1.93 0.00 0.00 178.83 177.44 1uei h ASP 62 N 0.00 0.16 0.14 -0.69 3.32 -1.95 -0.81 116.42 116.59 1uei h ASP 62 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uei h ASP 62 Cb 0.40 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1uei h ASP 62 CO 0.03 0.10 0.00 0.28 -1.72 0.00 0.00 179.24 177.92 1uei h SER 63 N 0.18 0.00 -0.38 6.45 0.02 -1.78 -2.68 113.55 115.35 1uei h SER 63 Ca 0.23 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1uei h SER 63 Cb 0.67 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 1uei h SER 63 CO -0.04 0.00 0.03 0.49 -1.14 0.00 0.00 176.83 176.18 1uei n PHE 64 N -2.51 1.25 -1.70 3.45 3.01 -0.31 -4.31 117.46 116.35 1uei n PHE 64 Ca -0.01 -1.24 -0.36 0.00 1.01 0.00 0.00 57.45 56.85 1uei n PHE 64 Cb 0.08 -0.45 0.07 0.00 -0.01 0.00 0.00 39.48 39.17 1uei n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uei s TYR 65 N -3.03 2.13 0.61 1.38 2.02 -1.01 -0.05 117.35 119.40 1uei s TYR 65 Ca 0.45 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 58.51 1uei s TYR 65 Cb 0.38 -3.58 -0.03 0.00 -0.40 0.00 0.00 41.96 38.34 1uei s TYR 65 CO 0.06 -2.68 1.11 1.03 -1.57 0.00 0.00 175.55 173.50 1uei s ARG 66 N -3.54 3.08 -0.06 -0.62 0.52 -0.19 -4.55 118.95 113.59 1uei s ARG 66 Ca 0.79 1.44 -0.30 0.00 -0.52 0.00 0.00 55.73 57.14 1uei s ARG 66 Cb -0.33 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1uei s ARG 66 CO 0.40 -1.04 1.23 0.08 0.02 0.00 0.00 175.30 175.99 1uei s VAL 67 N -2.15 4.19 0.15 3.52 1.01 -1.26 -4.82 120.40 121.03 1uei s VAL 67 Ca 0.68 1.52 -0.08 0.00 0.00 0.00 0.00 61.98 64.10 1uei s VAL 67 Cb -0.21 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1uei s VAL 67 CO 0.35 -0.01 0.44 -0.76 0.00 0.00 0.00 175.10 175.13 1uei s LEU 68 N 2.33 4.27 1.10 3.92 1.43 -1.26 -5.10 118.68 125.37 1uei s LEU 68 Ca 0.57 0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 1uei s LEU 68 Cb -0.25 -3.32 0.25 0.00 0.03 0.00 0.00 46.19 42.90 1uei s LEU 68 CO 0.22 0.05 1.22 0.42 0.23 0.00 0.00 176.35 178.49 1uei s THR 69 N -1.61 1.78 0.24 5.49 -4.23 -1.26 -4.79 115.64 111.25 1uei s THR 69 Ca 0.40 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 1uei s THR 69 Cb -0.13 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1uei s THR 69 CO 0.21 0.00 1.55 0.28 -0.54 0.00 0.00 174.62 176.13 1uei h SER 70 N -2.16 0.20 -0.40 3.99 0.02 -1.98 -1.74 113.55 111.47 1uei h SER 70 Ca -0.44 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.27 1uei h SER 70 Cb 1.26 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1uei h SER 70 CO 0.34 0.78 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.26 1uei h GLU 71 N 0.12 0.87 -0.28 3.45 3.07 -1.99 -1.05 114.58 118.77 1uei h GLU 71 Ca -0.01 -0.39 -0.16 0.00 -0.50 0.00 0.00 59.36 58.30 1uei h GLU 71 Cb 1.15 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1uei h GLU 71 CO 0.09 1.04 -0.45 1.96 -1.40 0.00 0.00 179.01 180.25 1uei h GLN 72 N 0.68 0.80 -0.51 2.33 4.20 -1.91 -2.66 115.11 118.03 1uei h GLN 72 Ca 0.09 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1uei h GLN 72 Cb 0.79 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1uei h GLN 72 CO 0.06 1.11 0.25 -0.22 -0.67 0.00 0.00 178.83 179.37 1uei h LYS 73 N 0.56 0.71 -0.64 1.46 3.64 -1.24 -0.67 116.57 120.39 1uei h LYS 73 Ca 0.02 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1uei h LYS 73 Cb 1.05 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1uei h LYS 73 CO 0.10 0.55 0.31 0.00 -2.27 0.00 0.00 179.45 178.14 1uei h ALA 74 N 1.56 0.82 -0.18 5.00 0.00 -1.02 -1.53 119.26 123.92 1uei h ALA 74 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uei h ALA 74 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1uei h ALA 74 CO -0.03 0.38 0.12 0.87 0.00 0.00 0.00 179.25 180.59 1uei h LYS 75 N 0.88 0.23 -0.80 0.00 1.79 -0.84 -2.72 116.57 115.12 1uei h LYS 75 Ca 0.22 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.78 1uei h LYS 75 Cb 0.11 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.66 1uei h LYS 75 CO -0.03 0.16 0.52 0.00 -1.08 0.00 0.00 179.45 179.02 1uei h ALA 76 N 1.06 1.79 0.00 3.86 0.00 -0.75 0.17 119.26 125.39 1uei h ALA 76 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uei h ALA 76 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1uei h ALA 76 CO -0.01 0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1uei h LEU 77 N 0.70 0.00 -2.88 0.00 3.38 -0.96 -1.38 115.31 114.17 1uei h LEU 77 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1uei h LEU 77 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1uei h LEU 77 CO -0.14 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.68 1uei n LYS 78 N -3.03 2.88 -3.24 1.13 5.02 -0.36 -4.94 118.16 115.61 1uei n LYS 78 Ca -0.01 -2.28 -0.23 0.00 -2.02 0.00 0.00 58.31 53.77 1uei n LYS 78 Cb 0.22 -1.40 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1uei n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uei n GLY 79 N 0.79 -0.53 0.49 0.72 0.00 -0.52 -4.87 105.19 101.26 1uei n GLY 79 Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.43 1uei n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uei n GLN 80 N -4.35 2.43 -5.05 1.61 6.02 0.45 -4.15 117.38 114.34 1uei n GLN 80 Ca -0.07 -2.46 -0.32 0.00 -0.01 0.00 0.00 57.00 54.14 1uei n GLN 80 Cb 0.60 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 30.18 1uei n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1uei s PHE 81 N -2.31 2.56 -0.82 1.08 5.36 -1.24 -4.75 117.98 117.86 1uei s PHE 81 Ca 0.31 -0.26 -0.20 0.00 -0.96 0.00 0.00 56.93 55.81 1uei s PHE 81 Cb 0.24 -1.58 0.11 0.00 -0.34 0.00 0.00 43.02 41.45 1uei s PHE 81 CO 0.07 0.10 1.06 1.21 -1.46 0.00 0.00 175.22 176.20 1uei s ASN 82 N -0.70 6.45 0.00 6.13 3.84 -1.26 -4.82 114.94 124.57 1uei s ASN 82 Ca 0.11 -1.63 0.17 0.00 0.21 0.00 0.00 52.86 51.71 1uei s ASN 82 Cb -0.10 -2.41 0.62 0.00 -0.55 0.00 0.00 41.25 38.82 1uei s ASN 82 CO -0.00 -1.21 1.45 0.49 -2.79 0.00 0.00 177.10 175.04 1uei n PHE 83 N 7.01 0.25 -0.10 0.43 3.72 -1.26 -3.64 117.46 123.86 1uei n PHE 83 Ca 0.13 -0.12 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1uei n PHE 83 Cb 0.48 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.16 1uei n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1uei n ASP 84 N 0.21 2.81 -4.86 4.37 8.00 -1.26 -4.86 116.55 120.95 1uei n ASP 84 Ca 0.14 -1.94 -0.37 0.00 0.71 0.00 0.00 54.79 53.33 1uei n ASP 84 Cb 0.27 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 1uei n ASP 84 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1uei s HIS 85 N -0.99 3.64 0.38 1.24 2.46 -1.24 -4.77 115.29 116.02 1uei s HIS 85 Ca 0.22 0.71 0.22 0.00 0.47 0.00 0.00 55.06 56.68 1uei s HIS 85 Cb 0.12 -2.08 1.30 0.00 -0.13 0.00 0.00 32.58 31.79 1uei s HIS 85 CO 0.16 0.68 1.61 -1.35 -2.47 0.00 0.00 174.74 173.37 1uei h PRO 86 N 4.69 0.10 0.00 2.88 0.11 -1.93 0.25 132.00 138.10 1uei h PRO 86 Ca -0.53 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uei h PRO 86 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1uei h PRO 86 CO 0.61 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 1uei n ASP 87 N -5.06 0.00 0.24 -2.05 8.00 -1.26 -3.02 116.55 113.40 1uei n ASP 87 Ca 0.36 -0.33 0.13 0.00 0.71 0.00 0.00 54.79 55.66 1uei n ASP 87 Cb 1.25 -0.18 0.47 0.00 -0.02 0.00 0.00 41.12 42.64 1uei n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uei h ALA 88 N 3.30 0.99 -2.54 2.24 0.00 -0.76 -3.45 119.26 119.04 1uei h ALA 88 Ca 0.00 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 1uei h ALA 88 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1uei h ALA 88 CO 0.00 0.11 -0.28 -0.06 0.00 0.00 0.00 179.25 179.02 1uei s PHE 89 N -3.51 3.48 -1.42 0.00 0.40 -1.17 -1.02 117.98 114.74 1uei s PHE 89 Ca 0.03 0.48 -0.09 0.00 -0.60 0.00 0.00 56.93 56.74 1uei s PHE 89 Cb 0.08 -1.96 0.06 0.00 0.51 0.00 0.00 43.02 41.72 1uei s PHE 89 CO 0.61 0.34 2.36 -3.47 0.70 0.00 0.00 175.22 175.75 1uei n ASP 90 N -0.55 6.52 -0.36 1.36 -0.08 0.93 -4.66 116.55 119.71 1uei n ASP 90 Ca -0.03 -2.93 0.34 0.00 -1.51 0.00 0.00 54.79 50.65 1uei n ASP 90 Cb 0.53 -1.51 0.69 0.00 2.34 0.00 0.00 41.12 43.18 1uei n ASP 90 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1uei h ASN 91 N 5.31 0.12 -0.27 1.67 2.35 -1.88 -0.75 115.58 122.14 1uei h ASN 91 Ca 0.63 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 56.34 1uei h ASN 91 Cb 0.46 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1uei h ASN 91 CO 1.68 0.00 -0.11 -0.33 -1.65 0.00 0.00 177.43 177.03 1uei h GLU 92 N 0.10 0.55 -0.70 0.81 3.07 -1.98 -1.27 114.58 115.16 1uei h GLU 92 Ca 0.62 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.36 59.17 1uei h GLU 92 Cb 2.22 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 30.08 1uei h GLU 92 CO -0.11 0.78 0.15 1.25 -1.40 0.00 0.00 179.01 179.68 1uei h LEU 93 N 0.29 1.08 0.13 1.33 5.85 -1.57 -2.07 115.31 120.35 1uei h LEU 93 Ca 0.06 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1uei h LEU 93 Cb 0.61 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1uei h LEU 93 CO 0.04 1.05 -0.06 0.40 -0.34 0.00 0.00 178.44 179.52 1uei h ILE 94 N 1.07 0.92 -0.73 4.05 2.04 -1.32 0.28 117.51 123.82 1uei h ILE 94 Ca 0.22 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1uei h ILE 94 Cb 0.41 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1uei h ILE 94 CO 0.01 0.04 0.43 0.25 0.00 0.00 0.00 178.15 178.88 1uei h LEU 95 N -0.25 0.66 -0.21 1.44 6.46 -1.11 -0.21 115.31 122.09 1uei h LEU 95 Ca -0.02 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1uei h LEU 95 Cb 0.20 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1uei h LEU 95 CO 0.03 0.43 -0.20 0.50 -0.62 0.00 0.00 178.44 178.58 1uei h LYS 96 N 0.79 0.50 -0.66 1.25 3.64 -1.19 -1.90 116.57 119.01 1uei h LYS 96 Ca 0.32 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1uei h LYS 96 Cb 0.16 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1uei h LYS 96 CO -0.17 0.84 0.28 1.15 -2.27 0.00 0.00 179.45 179.28 1uei h THR 97 N 0.18 1.24 -0.01 1.00 2.02 -0.09 -2.29 112.91 114.95 1uei h THR 97 Ca 0.03 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 1uei h THR 97 Cb 0.75 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1uei h THR 97 CO 0.05 0.29 -0.53 0.25 0.37 0.00 0.00 175.52 175.95 1uei h LEU 98 N 0.93 0.03 -0.37 2.58 5.85 -1.06 -2.58 115.31 120.68 1uei h LEU 98 Ca 0.22 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1uei h LEU 98 Cb 0.19 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1uei h LEU 98 CO -0.02 0.55 -0.13 0.50 -0.34 0.00 0.00 178.44 179.00 1uei h LYS 99 N 0.02 0.74 -0.49 1.25 3.11 -1.04 -1.79 116.57 118.37 1uei h LYS 99 Ca -0.00 -0.30 -0.06 0.00 -2.81 0.00 0.00 60.65 57.47 1uei h LYS 99 Cb 0.95 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.12 1uei h LYS 99 CO 0.07 0.91 0.06 0.93 -2.81 0.00 0.00 179.45 178.61 1uei h GLU 100 N 0.53 0.78 -0.48 1.90 5.08 -1.31 -1.84 114.58 119.24 1uei h GLU 100 Ca 0.09 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1uei h GLU 100 Cb 0.66 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1uei h GLU 100 CO 0.05 0.75 0.03 0.82 -1.00 0.00 0.00 179.01 179.66 1uei h ILE 101 N 0.74 1.26 -0.32 3.13 2.04 -1.32 -1.72 117.51 121.32 1uei h ILE 101 Ca 0.16 -1.01 0.08 0.00 1.00 0.00 0.00 64.86 65.09 1uei h ILE 101 Cb 0.37 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1uei h ILE 101 CO 0.01 0.35 0.23 0.74 0.00 0.00 0.00 178.15 179.48 1uei h THR 102 N 0.69 0.87 -0.01 -0.27 2.02 -0.81 -0.19 112.91 115.21 1uei h THR 102 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1uei h THR 102 Cb 0.46 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1uei h THR 102 CO 0.02 0.01 -0.04 -0.62 0.37 0.00 0.00 175.52 175.26 1uei n GLU 103 N -4.45 1.18 -0.75 6.66 1.02 -0.74 -4.38 120.64 119.19 1uei n GLU 103 Ca 0.04 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 1uei n GLU 103 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1uei n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uei n GLY 104 N 1.16 0.66 3.82 0.62 0.00 -0.08 -5.05 105.19 106.32 1uei n GLY 104 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1uei n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uei s LYS 105 N -0.25 4.21 0.31 1.61 1.02 -0.71 -4.74 119.74 121.19 1uei s LYS 105 Ca 0.00 0.78 -0.28 0.00 0.02 0.00 0.00 55.97 56.49 1uei s LYS 105 Cb 0.00 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 1uei s LYS 105 CO 0.00 0.48 1.04 -0.08 -0.92 0.00 0.00 175.35 175.87 1uei s THR 106 N -1.40 3.72 0.30 2.17 -1.32 -1.26 -4.27 115.64 113.58 1uei s THR 106 Ca 0.39 1.57 0.04 0.00 -1.21 0.00 0.00 61.69 62.47 1uei s THR 106 Cb -0.17 -3.93 -0.06 0.00 -1.51 0.00 0.00 72.50 66.82 1uei s THR 106 CO 0.21 0.25 0.04 0.68 -2.21 0.00 0.00 174.62 173.58 1uei s VAL 107 N -1.36 1.21 -0.08 5.08 -7.23 -0.72 -4.98 120.40 112.32 1uei s VAL 107 Ca 0.49 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1uei s VAL 107 Cb -0.27 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 1uei s VAL 107 CO 0.34 -0.08 0.03 -1.58 -0.31 0.00 0.00 175.10 173.49 1uei s GLN 108 N -3.87 3.03 -0.04 4.82 2.00 -1.26 -0.61 119.66 123.72 1uei s GLN 108 Ca 0.35 -0.40 0.03 0.00 -2.00 0.00 0.00 55.36 53.34 1uei s GLN 108 Cb 0.08 -2.84 0.01 0.00 0.80 0.00 0.00 33.01 31.06 1uei s GLN 108 CO 0.14 0.70 -0.11 0.42 -0.50 0.00 0.00 175.29 175.94 1uei s ILE 109 N -0.95 1.00 0.71 -2.34 1.01 0.14 -4.94 121.20 115.82 1uei s ILE 109 Ca 0.15 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1uei s ILE 109 Cb -0.11 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1uei s ILE 109 CO 0.04 0.31 1.14 -2.16 0.00 0.00 0.00 174.94 174.28 1uei s PRO 110 N 0.40 2.43 -0.18 2.79 0.04 -1.26 -1.12 135.00 138.10 1uei s PRO 110 Ca -0.08 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.48 1uei s PRO 110 Cb -0.12 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1uei s PRO 110 CO 0.02 -1.56 -0.19 0.08 0.04 0.00 0.00 177.00 175.39 1uei s VAL 111 N -2.27 2.14 -0.04 -0.36 1.01 -1.26 -4.74 120.40 114.89 1uei s VAL 111 Ca 0.69 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1uei s VAL 111 Cb -0.23 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1uei s VAL 111 CO 0.45 0.53 0.17 -0.47 0.00 0.00 0.00 175.10 175.78 1uei s TYR 112 N 1.30 3.56 -0.30 5.22 5.04 -1.26 -0.40 117.35 130.52 1uei s TYR 112 Ca 0.05 0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 55.05 1uei s TYR 112 Cb -0.13 -1.86 0.04 0.00 0.35 0.00 0.00 41.96 40.36 1uei s TYR 112 CO -0.12 0.67 0.02 0.34 -1.34 0.00 0.00 175.55 175.12 1uei s ASP 113 N -1.68 4.88 0.53 4.32 -1.08 -0.43 -4.90 116.67 118.32 1uei s ASP 113 Ca 0.24 -1.09 0.33 0.00 -0.52 0.00 0.00 52.55 51.50 1uei s ASP 113 Cb -0.12 -1.75 1.28 0.00 -1.46 0.00 0.00 42.92 40.86 1uei s ASP 113 CO 0.15 -0.24 1.95 -0.26 0.52 0.00 0.00 175.17 177.29 1uei h PHE 114 N 8.07 0.00 0.00 -5.34 0.04 -1.93 0.11 116.94 117.89 1uei h PHE 114 Ca -0.25 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.45 1uei h PHE 114 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 1uei h PHE 114 CO 0.60 0.00 -0.40 0.28 -0.60 0.00 0.00 178.31 178.19 1uei h VAL 115 N 0.00 0.52 -0.00 -0.55 2.07 -1.88 -3.33 116.25 113.08 1uei h VAL 115 Ca 0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1uei h VAL 115 Cb 0.54 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1uei h VAL 115 CO 0.00 0.29 -0.05 -1.20 0.02 0.00 0.00 177.57 176.63 1uei n SER 116 N -3.14 0.86 -3.68 0.57 7.64 -1.14 -4.99 113.62 109.74 1uei n SER 116 Ca 0.02 -0.93 -0.24 0.00 1.01 0.00 0.00 58.87 58.73 1uei n SER 116 Cb 0.66 0.38 0.06 0.00 -1.01 0.00 0.00 64.21 64.30 1uei n SER 116 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1uei n HIS 117 N -0.28 -2.46 -3.83 1.43 -0.00 0.33 -4.98 115.22 105.43 1uei n HIS 117 Ca 0.01 0.95 -0.12 0.00 -0.00 0.00 0.00 57.72 58.56 1uei n HIS 117 Cb 0.07 -4.65 -0.11 0.00 -0.00 0.00 0.00 29.99 25.30 1uei n HIS 117 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1uei s SER 118 N -3.65 -0.11 -0.08 0.41 1.04 -0.97 -4.58 113.70 105.75 1uei s SER 118 Ca 0.42 0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 1uei s SER 118 Cb -0.20 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1uei s SER 118 CO 0.77 -0.17 1.37 -0.60 0.98 0.00 0.00 173.24 175.59 1uei s ARG 119 N -0.43 4.25 0.75 4.02 3.52 -1.26 -1.31 118.95 128.48 1uei s ARG 119 Ca -0.05 1.85 -0.11 0.00 -0.13 0.00 0.00 55.73 57.29 1uei s ARG 119 Cb -0.03 -3.73 0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1uei s ARG 119 CO 0.01 -0.66 1.08 0.15 -0.81 0.00 0.00 175.30 175.06 1uei s LYS 120 N 3.14 2.48 0.21 5.12 1.02 0.46 -4.96 119.74 127.21 1uei s LYS 120 Ca 0.61 1.10 0.05 0.00 0.02 0.00 0.00 55.97 57.75 1uei s LYS 120 Cb -0.27 -1.93 0.14 0.00 -0.52 0.00 0.00 37.83 35.25 1uei s LYS 120 CO 0.22 -1.47 1.48 1.05 -0.92 0.00 0.00 175.35 175.71 1uei h GLU 121 N -0.99 0.16 -7.07 1.68 -0.00 -1.95 -3.42 114.58 102.98 1uei h GLU 121 Ca -0.44 -0.14 -0.52 0.00 -0.00 0.00 0.00 59.36 58.27 1uei h GLU 121 Cb 1.22 0.03 0.09 0.00 -0.00 0.00 0.00 28.75 30.10 1uei h GLU 121 CO 0.53 0.83 0.47 -1.83 -0.00 0.00 0.00 179.01 179.01 1uei s GLU 122 N -3.44 3.28 0.27 1.06 -1.05 -1.26 -5.04 118.70 112.53 1uei s GLU 122 Ca -0.03 1.79 0.07 0.00 -0.15 0.00 0.00 54.97 56.65 1uei s GLU 122 Cb 0.11 -2.09 -0.06 0.00 -0.44 0.00 0.00 34.13 31.66 1uei s GLU 122 CO 0.80 -0.95 -0.07 0.99 0.95 0.00 0.00 175.26 176.99 1uei s THR 123 N -1.61 1.64 -0.10 1.83 2.01 -1.26 -4.00 115.64 114.15 1uei s THR 123 Ca 0.72 -2.14 0.02 0.00 0.31 0.00 0.00 61.69 60.61 1uei s THR 123 Cb -0.29 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 69.84 1uei s THR 123 CO 0.33 -0.34 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.07 1uei s VAL 124 N -3.02 1.55 0.13 3.82 1.01 -0.27 -4.93 120.40 118.69 1uei s VAL 124 Ca 0.29 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1uei s VAL 124 Cb 0.03 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1uei s VAL 124 CO 0.11 0.45 0.93 -0.89 0.00 0.00 0.00 175.10 175.70 1uei s THR 125 N 0.85 4.45 -0.30 3.92 2.01 -1.26 -0.69 115.64 124.63 1uei s THR 125 Ca -0.09 2.02 0.01 0.00 0.31 0.00 0.00 61.69 63.93 1uei s THR 125 Cb -0.15 -4.30 0.09 0.00 0.01 0.00 0.00 72.50 68.15 1uei s THR 125 CO 0.00 0.36 0.06 -0.69 -0.69 0.00 0.00 174.62 173.66 1uei s VAL 126 N -0.23 1.32 0.75 3.82 1.01 0.22 -4.98 120.40 122.31 1uei s VAL 126 Ca 0.45 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 1uei s VAL 126 Cb -0.23 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1uei s VAL 126 CO 0.29 -0.54 1.09 -0.31 0.00 0.00 0.00 175.10 175.63 1uei s TYR 127 N 1.41 3.01 0.99 5.22 2.02 -1.26 -1.75 117.35 127.00 1uei s TYR 127 Ca 0.07 1.19 -0.17 0.00 -0.37 0.00 0.00 57.07 57.79 1uei s TYR 127 Cb -0.18 -3.04 -0.09 0.00 -0.40 0.00 0.00 41.96 38.25 1uei s TYR 127 CO -0.17 -1.51 -0.52 -2.30 -1.57 0.00 0.00 175.55 169.49 1uei n PRO 128 N -3.26 -0.17 -3.62 -1.71 -0.02 -1.26 -4.92 135.00 120.03 1uei n PRO 128 Ca 0.07 -0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 1uei n PRO 128 Cb 0.56 -1.27 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 1uei n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uei s ALA 129 N -2.12 -1.47 -0.02 3.55 0.00 -1.26 -4.97 121.76 115.47 1uei s ALA 129 Ca 0.45 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1uei s ALA 129 Cb -0.15 0.82 -0.24 0.00 0.00 0.00 0.00 23.12 23.55 1uei s ALA 129 CO 0.76 -0.89 0.75 -0.44 0.00 0.00 0.00 175.76 175.94 1uei h ASP 130 N 2.00 0.12 -3.70 0.00 3.32 -1.28 -3.40 116.42 113.48 1uei h ASP 130 Ca -0.27 -0.21 -0.43 0.00 0.02 0.00 0.00 57.03 56.14 1uei h ASP 130 Cb 1.28 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.47 1uei h ASP 130 CO 0.31 1.18 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.53 1uei s VAL 131 N -2.61 0.77 -0.10 -1.35 1.01 -0.86 0.21 120.40 117.47 1uei s VAL 131 Ca -0.07 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1uei s VAL 131 Cb 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1uei s VAL 131 CO 0.82 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 175.37 1uei s VAL 132 N 0.37 1.18 -0.19 2.92 1.01 -0.03 -2.15 120.40 123.51 1uei s VAL 132 Ca -0.06 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1uei s VAL 132 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1uei s VAL 132 CO 0.01 0.38 0.07 -0.76 0.00 0.00 0.00 175.10 174.80 1uei s LEU 133 N 1.22 3.80 -0.20 3.92 1.43 -0.44 -0.18 118.68 128.22 1uei s LEU 133 Ca -0.04 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1uei s LEU 133 Cb -0.14 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.15 1uei s LEU 133 CO -0.03 0.14 -0.11 0.12 0.23 0.00 0.00 176.35 176.70 1uei s PHE 134 N 0.55 2.52 -0.06 0.29 5.36 0.40 -0.06 117.98 126.99 1uei s PHE 134 Ca 0.04 -1.66 0.06 0.00 -0.96 0.00 0.00 56.93 54.40 1uei s PHE 134 Cb -0.13 -1.69 -0.01 0.00 -0.34 0.00 0.00 43.02 40.85 1uei s PHE 134 CO 0.01 -0.76 -0.24 -1.83 -1.46 0.00 0.00 175.22 170.94 1uei s GLU 135 N 1.36 2.44 -0.17 10.12 4.04 -0.75 0.11 118.70 135.84 1uei s GLU 135 Ca -0.01 -0.86 -0.32 0.00 0.04 0.00 0.00 54.97 53.81 1uei s GLU 135 Cb -0.16 -2.07 0.14 0.00 0.02 0.00 0.00 34.13 32.05 1uei s GLU 135 CO -0.08 0.36 1.13 0.20 -1.84 0.00 0.00 175.26 175.03 1uei s GLY 136 N -0.14 -0.25 0.65 -3.83 0.00 -0.69 0.22 107.32 103.28 1uei s GLY 136 Ca -0.04 1.83 0.41 0.00 0.00 0.00 0.00 44.72 46.93 1uei s GLY 136 CO 0.03 0.72 2.34 0.16 0.00 0.00 0.00 173.10 176.36 1uei h ILE 137 N 2.15 0.11 -0.45 0.90 3.07 -1.87 -3.03 117.51 118.38 1uei h ILE 137 Ca -0.13 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 65.98 1uei h ILE 137 Cb 1.18 0.99 -0.39 0.00 -0.27 0.00 0.00 36.82 38.33 1uei h ILE 137 CO 0.26 0.00 -1.02 0.18 -1.05 0.00 0.00 178.15 176.52 1uei n LEU 138 N -3.24 2.37 0.28 0.16 4.77 -1.26 -4.59 117.00 115.49 1uei n LEU 138 Ca -0.03 -3.37 0.17 0.00 -0.03 0.00 0.00 56.01 52.75 1uei n LEU 138 Cb 0.08 0.21 0.76 0.00 -2.33 0.00 0.00 43.42 42.13 1uei n LEU 138 CO 0.21 1.26 1.01 0.00 -1.33 0.00 0.00 177.39 178.54 1uei h ALA 139 N 2.31 1.02 -0.02 -1.18 0.00 -1.83 -2.92 119.26 116.63 1uei h ALA 139 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uei h ALA 139 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1uei h ALA 139 CO 0.31 0.04 -0.20 1.19 0.00 0.00 0.00 179.25 180.58 1uei n PHE 140 N -3.16 0.00 0.10 0.00 3.72 -1.26 -4.31 117.46 112.55 1uei n PHE 140 Ca -0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1uei n PHE 140 Cb 0.27 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1uei n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1uei h TYR 141 N 3.17 -0.28 -2.71 1.38 3.20 -1.87 -3.42 116.97 116.45 1uei h TYR 141 Ca 0.00 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1uei h TYR 141 Cb 0.78 0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.16 1uei h TYR 141 CO 0.00 -0.16 0.99 0.45 -1.64 0.00 0.00 178.16 177.80 1uei s SER 142 N -2.51 6.65 0.40 -2.11 0.15 -1.26 -4.90 113.70 110.11 1uei s SER 142 Ca -0.04 2.40 0.10 0.00 0.70 0.00 0.00 55.95 59.11 1uei s SER 142 Cb 0.01 -2.56 0.82 0.00 -1.71 0.00 0.00 66.02 62.58 1uei s SER 142 CO 0.13 -0.87 1.94 -0.61 1.20 0.00 0.00 173.24 175.03 1uei h GLN 143 N 8.45 0.22 0.47 5.44 4.15 -1.96 0.18 115.11 132.06 1uei h GLN 143 Ca -0.42 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 1uei h GLN 143 Cb 1.20 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1uei h GLN 143 CO 0.93 0.34 -0.25 0.93 -1.93 0.00 0.00 178.83 178.85 1uei h GLU 144 N 0.21 -0.64 -0.47 1.69 5.08 -1.96 -1.09 114.58 117.40 1uei h GLU 144 Ca 0.04 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1uei h GLU 144 Cb 0.33 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1uei h GLU 144 CO 0.02 -0.43 0.30 0.28 -1.00 0.00 0.00 179.01 178.18 1uei h VAL 145 N -0.67 1.13 -0.79 3.13 2.07 -1.86 -2.94 116.25 116.32 1uei h VAL 145 Ca -0.06 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1uei h VAL 145 Cb 0.53 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1uei h VAL 145 CO 0.09 0.12 0.42 -0.09 0.02 0.00 0.00 177.57 178.13 1uei h ARG 146 N 0.63 0.65 0.00 1.57 2.43 -0.75 -0.34 114.38 118.56 1uei h ARG 146 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1uei h ARG 146 Cb -0.06 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1uei h ARG 146 CO -0.04 0.43 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 1uei n ASP 147 N -4.83 0.00 0.02 -3.80 8.00 -0.43 -2.48 116.55 113.03 1uei n ASP 147 Ca 0.14 0.26 0.13 0.00 0.71 0.00 0.00 54.79 56.03 1uei n ASP 147 Cb 0.33 -0.39 0.48 0.00 -0.02 0.00 0.00 41.12 41.51 1uei n ASP 147 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uei n LEU 148 N -1.39 0.26 -4.75 0.64 4.32 -0.14 -4.80 117.00 111.13 1uei n LEU 148 Ca 0.07 0.37 -0.37 0.00 -0.02 0.00 0.00 56.01 56.06 1uei n LEU 148 Cb 0.18 -0.40 -0.07 0.00 -1.62 0.00 0.00 43.42 41.52 1uei n LEU 148 CO 0.16 0.00 0.04 -0.36 -1.22 0.00 0.00 177.39 176.01 1uei s PHE 149 N -3.02 3.53 -1.25 -1.77 0.08 -1.04 -4.66 117.98 109.85 1uei s PHE 149 Ca 0.12 0.73 0.26 0.00 0.12 0.00 0.00 56.93 58.17 1uei s PHE 149 Cb 0.17 -2.36 0.73 0.00 -0.57 0.00 0.00 43.02 41.00 1uei s PHE 149 CO 0.59 0.32 1.56 1.04 -0.10 0.00 0.00 175.22 178.64 1uei n GLN 150 N 3.19 0.28 -3.67 0.44 6.02 0.12 -4.82 117.38 118.93 1uei n GLN 150 Ca -0.12 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.60 1uei n GLN 150 Cb 0.52 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 1uei n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1uei s MET 151 N -2.82 0.68 -0.08 -1.09 0.00 -1.12 -5.04 119.30 109.83 1uei s MET 151 Ca 0.17 0.86 0.01 0.00 0.00 0.00 0.00 55.69 56.73 1uei s MET 151 Cb 0.18 0.30 0.02 0.00 0.00 0.00 0.00 34.83 35.33 1uei s MET 151 CO 0.61 -0.09 -0.10 0.15 0.00 0.00 0.00 175.02 175.59 1uei s LYS 152 N 0.50 1.56 -0.03 4.11 1.02 -1.26 -0.54 119.74 125.10 1uei s LYS 152 Ca -0.02 -0.33 0.06 0.00 0.02 0.00 0.00 55.97 55.70 1uei s LYS 152 Cb -0.04 -1.41 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 1uei s LYS 152 CO -0.02 -0.08 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.62 1uei s LEU 153 N 1.01 2.37 -0.12 3.17 1.43 0.85 -0.67 118.68 126.72 1uei s LEU 153 Ca -0.08 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1uei s LEU 153 Cb -0.15 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1uei s LEU 153 CO -0.00 0.33 -0.18 0.12 0.23 0.00 0.00 176.35 176.85 1uei s PHE 154 N -0.68 2.23 -0.24 0.29 2.19 -0.90 0.20 117.98 121.07 1uei s PHE 154 Ca 0.11 -1.07 -0.17 0.00 0.33 0.00 0.00 56.93 56.13 1uei s PHE 154 Cb -0.10 -1.56 -0.03 0.00 -1.31 0.00 0.00 43.02 40.01 1uei s PHE 154 CO -0.00 -0.52 0.46 0.08 1.83 0.00 0.00 175.22 177.07 1uei s VAL 155 N 0.89 5.13 -0.36 3.12 1.01 0.15 -0.05 120.40 130.29 1uei s VAL 155 Ca -0.07 0.79 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1uei s VAL 155 Cb -0.15 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1uei s VAL 155 CO -0.01 0.16 0.14 -0.62 0.00 0.00 0.00 175.10 174.77 1uei s ASP 156 N 1.38 5.39 0.12 3.32 -1.08 0.03 -4.10 116.67 121.73 1uei s ASP 156 Ca 0.20 -1.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.06 1uei s ASP 156 Cb -0.15 -1.90 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 1uei s ASP 156 CO 0.09 -0.38 -0.21 -0.89 0.52 0.00 0.00 175.17 174.30 1uei s THR 157 N 1.40 1.78 0.35 1.71 2.01 -1.26 -1.70 115.64 119.94 1uei s THR 157 Ca -0.00 -1.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.07 1uei s THR 157 Cb -0.20 -1.66 -0.12 0.00 0.01 0.00 0.00 72.50 70.53 1uei s THR 157 CO 0.02 -0.11 1.36 0.47 -0.69 0.00 0.00 174.62 175.68 1uei n ASP 158 N 0.89 3.13 -0.24 3.53 8.00 -1.26 -4.82 116.55 125.78 1uei n ASP 158 Ca -0.18 1.22 -0.03 0.00 0.71 0.00 0.00 54.79 56.50 1uei n ASP 158 Cb 0.54 -1.53 0.08 0.00 -0.02 0.00 0.00 41.12 40.19 1uei n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uei h ALA 159 N 2.69 0.89 0.00 2.24 0.00 -1.99 -0.39 119.26 122.71 1uei h ALA 159 Ca -0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1uei h ALA 159 Cb 1.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1uei h ALA 159 CO 0.63 0.16 -0.40 0.38 0.00 0.00 0.00 179.25 180.03 1uei h ASP 160 N 0.80 0.00 -0.28 0.00 2.03 -1.99 -0.72 116.42 116.25 1uei h ASP 160 Ca 0.28 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.39 1uei h ASP 160 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1uei h ASP 160 CO -0.12 0.40 -0.54 0.74 -1.03 0.00 0.00 179.24 178.68 1uei h THR 161 N 0.00 1.28 -0.25 1.15 2.02 -1.78 -1.89 112.91 113.43 1uei h THR 161 Ca -0.00 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 1uei h THR 161 Cb 0.78 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1uei h THR 161 CO 0.05 0.56 0.05 0.03 0.37 0.00 0.00 175.52 176.58 1uei h ARG 162 N 0.65 0.41 -0.30 6.66 3.08 -0.75 -2.70 114.38 121.43 1uei h ARG 162 Ca 0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1uei h ARG 162 Cb 1.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1uei h ARG 162 CO 0.12 0.53 0.13 1.25 -1.07 0.00 0.00 179.97 180.93 1uei h LEU 163 N 0.23 0.40 -0.52 3.04 6.46 -1.12 -0.88 115.31 122.92 1uei h LEU 163 Ca 0.08 -0.14 0.10 0.00 -0.12 0.00 0.00 57.88 57.80 1uei h LEU 163 Cb 0.31 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.05 1uei h LEU 163 CO 0.00 0.43 -0.06 -1.28 -0.62 0.00 0.00 178.44 176.92 1uei h SER 164 N 0.34 -0.34 -0.04 1.25 0.87 -1.28 0.23 113.55 114.58 1uei h SER 164 Ca 0.10 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1uei h SER 164 Cb 0.15 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1uei h SER 164 CO -0.01 -0.12 0.02 0.03 -0.53 0.00 0.00 176.83 176.22 1uei h ARG 165 N 0.06 0.06 -0.62 2.24 3.08 -1.25 -2.58 114.38 115.37 1uei h ARG 165 Ca 0.26 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.43 1uei h ARG 165 Cb 0.40 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.33 1uei h ARG 165 CO -0.48 0.18 -0.05 -0.09 -1.07 0.00 0.00 179.97 178.46 1uei h ARG 166 N -0.07 0.07 -0.37 0.04 9.65 -0.15 0.16 114.38 123.71 1uei h ARG 166 Ca 0.01 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1uei h ARG 166 Cb 0.14 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1uei h ARG 166 CO -0.00 0.05 0.20 0.28 2.80 0.00 0.00 179.97 183.30 1uei h VAL 167 N 0.07 1.15 -0.26 0.20 2.07 -0.86 0.14 116.25 118.76 1uei h VAL 167 Ca 0.32 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 1uei h VAL 167 Cb 0.51 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1uei h VAL 167 CO -0.57 0.15 -0.54 -0.07 0.02 0.00 0.00 177.57 176.56 1uei h LEU 168 N 0.48 0.85 -0.33 2.57 3.38 -0.99 -2.38 115.31 118.89 1uei h LEU 168 Ca 0.13 -0.45 -0.17 0.00 0.09 0.00 0.00 57.88 57.48 1uei h LEU 168 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1uei h LEU 168 CO -0.02 1.22 -0.46 -0.09 0.09 0.00 0.00 178.44 179.18 1uei h ARG 169 N 0.59 0.89 -0.35 1.13 2.43 -0.61 -0.37 114.38 118.09 1uei h ARG 169 Ca 0.01 -0.52 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 1uei h ARG 169 Cb 1.12 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1uei h ARG 169 CO 0.11 1.16 0.01 -0.44 -1.51 0.00 0.00 179.97 179.31 1uei h ASP 170 N 0.68 0.59 -0.24 -3.80 5.19 -0.73 0.38 116.42 118.49 1uei h ASP 170 Ca 0.04 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.10 1uei h ASP 170 Cb 1.06 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1uei h ASP 170 CO 0.11 0.74 -0.02 0.40 -3.12 0.00 0.00 179.24 177.34 1uei h ILE 171 N 0.42 1.27 0.07 0.35 2.04 -1.43 -1.77 117.51 118.45 1uei h ILE 171 Ca 0.10 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1uei h ILE 171 Cb 0.43 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1uei h ILE 171 CO 0.01 0.30 -0.03 -1.28 0.00 0.00 0.00 178.15 177.15 1uei h SER 172 N 0.20 -0.08 0.01 1.72 0.87 -1.01 -3.32 113.55 111.94 1uei h SER 172 Ca 0.07 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1uei h SER 172 Cb 0.45 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1uei h SER 172 CO 0.02 0.54 -1.64 -0.62 -0.53 0.00 0.00 176.83 174.60 1uei n GLU 173 N -4.84 0.43 -0.08 2.24 1.02 0.13 -4.52 120.64 115.03 1uei n GLU 173 Ca -0.08 -0.13 0.06 0.00 -0.02 0.00 0.00 57.16 56.99 1uei n GLU 173 Cb 0.30 -1.52 0.10 0.00 -0.02 0.00 0.00 31.44 30.30 1uei n GLU 173 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uei n ARG 174 N -1.99 2.07 -3.80 3.49 1.74 -0.71 -4.82 116.66 112.63 1uei n ARG 174 Ca -0.01 -2.20 -0.29 0.00 -0.77 0.00 0.00 57.85 54.58 1uei n ARG 174 Cb 0.48 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.60 1uei n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uei n GLY 175 N -0.96 -1.15 3.34 -0.13 0.00 -0.91 -4.31 105.19 101.07 1uei n GLY 175 Ca 0.11 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.46 1uei n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uei s ARG 176 N -5.58 1.34 -0.12 1.61 0.52 -1.04 -5.00 118.95 110.69 1uei s ARG 176 Ca 0.19 -1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 53.67 1uei s ARG 176 Cb -0.09 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 1uei s ARG 176 CO 0.90 -0.06 0.10 -0.51 0.02 0.00 0.00 175.30 175.75 1uei s ASP 177 N -3.31 6.04 0.14 0.23 1.01 -1.26 -4.28 116.67 115.24 1uei s ASP 177 Ca 0.27 0.36 -0.29 0.00 0.71 0.00 0.00 52.55 53.61 1uei s ASP 177 Cb 0.05 -1.90 -0.08 0.00 1.01 0.00 0.00 42.92 42.00 1uei s ASP 177 CO 0.08 0.39 1.49 0.25 0.21 0.00 0.00 175.17 177.59 1uei h LEU 178 N 5.14 -1.88 -1.34 1.23 5.85 -1.99 0.11 115.31 122.44 1uei h LEU 178 Ca -0.53 0.27 0.18 0.00 0.84 0.00 0.00 57.88 58.64 1uei h LEU 178 Cb 1.21 0.81 -0.07 0.00 0.37 0.00 0.00 40.66 42.98 1uei h LEU 178 CO 0.58 -0.26 0.59 -0.33 -0.34 0.00 0.00 178.44 178.68 1uei h GLU 179 N -0.12 0.56 -0.03 1.25 5.08 -1.99 0.16 114.58 119.49 1uei h GLU 179 Ca 0.12 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1uei h GLU 179 Cb 0.42 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1uei h GLU 179 CO -0.75 0.37 -0.70 1.96 -1.00 0.00 0.00 179.01 178.89 1uei h GLN 180 N 0.58 0.18 0.68 2.33 4.20 -1.44 -2.20 115.11 119.43 1uei h GLN 180 Ca 0.48 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 1uei h GLN 180 Cb 0.95 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.76 1uei h GLN 180 CO -0.22 0.80 -0.32 0.82 -0.67 0.00 0.00 178.83 179.24 1uei h ILE 181 N 0.12 0.00 -0.99 2.54 2.04 1.00 -1.68 117.51 120.54 1uei h ILE 181 Ca -0.02 -0.33 0.13 0.00 1.00 0.00 0.00 64.86 65.64 1uei h ILE 181 Cb 1.24 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 1uei h ILE 181 CO 0.10 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.80 1uei h LEU 182 N -1.24 0.89 -0.31 1.44 3.38 -1.06 0.14 115.31 118.55 1uei h LEU 182 Ca -0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1uei h LEU 182 Cb 0.70 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1uei h LEU 182 CO 0.15 0.45 0.11 -1.28 0.09 0.00 0.00 178.44 177.97 1uei h SER 183 N 0.95 0.43 -0.29 -0.43 0.87 -1.41 -0.76 113.55 112.91 1uei h SER 183 Ca 0.50 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 1uei h SER 183 Cb 0.54 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1uei h SER 183 CO -0.28 0.50 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.76 1uei h GLN 184 N 0.34 0.73 0.41 2.24 4.15 -0.29 -0.55 115.11 122.14 1uei h GLN 184 Ca 0.10 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1uei h GLN 184 Cb 0.21 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1uei h GLN 184 CO -0.01 0.85 -0.19 -0.92 -1.93 0.00 0.00 178.83 176.63 1uei h TYR 185 N 0.66 -0.50 -0.44 3.99 3.20 -0.56 0.30 116.97 123.61 1uei h TYR 185 Ca 0.11 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1uei h TYR 185 Cb 0.63 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1uei h TYR 185 CO 0.03 -0.23 0.02 0.82 -1.64 0.00 0.00 178.16 177.17 1uei h ILE 186 N -0.71 1.23 0.16 1.81 1.08 -1.12 -0.85 117.51 119.10 1uei h ILE 186 Ca -0.06 -0.90 -0.31 0.00 -0.39 0.00 0.00 64.86 63.21 1uei h ILE 186 Cb 0.50 0.87 0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1uei h ILE 186 CO 0.09 0.32 -1.43 0.74 -0.69 0.00 0.00 178.15 177.18 1uei h THR 187 N 0.67 1.30 0.00 -0.27 2.02 -1.06 -3.42 112.91 112.15 1uei h THR 187 Ca 0.14 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.47 1uei h THR 187 Cb 0.38 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1uei h THR 187 CO 0.01 0.85 -0.32 0.49 0.37 0.00 0.00 175.52 176.92 1uei n PHE 188 N -3.56 -0.10 0.09 3.16 3.72 0.10 -4.74 117.46 116.13 1uei n PHE 188 Ca -0.14 0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.11 1uei n PHE 188 Cb 1.06 0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 39.53 1uei n PHE 188 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uei h VAL 189 N 0.00 0.01 0.06 -4.37 2.07 -1.03 0.44 116.25 113.43 1uei h VAL 189 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1uei h VAL 189 Cb 0.32 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1uei h VAL 189 CO 0.00 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 177.99 1uei h LYS 190 N -0.71 -0.19 -0.87 1.57 3.64 -1.46 0.21 116.57 118.76 1uei h LYS 190 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1uei h LYS 190 Cb 0.74 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 1uei h LYS 190 CO -0.32 -0.13 0.55 -1.35 -2.27 0.00 0.00 179.45 175.93 1uei h PRO 191 N -0.20 1.01 -0.35 1.90 0.11 -1.77 -1.47 132.00 131.23 1uei h PRO 191 Ca 0.02 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 1uei h PRO 191 Cb 0.22 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1uei h PRO 191 CO -0.06 0.67 -0.22 0.00 -0.21 0.00 0.00 178.00 178.18 1uei h ALA 192 N 1.38 0.97 -0.06 -0.75 0.00 -0.54 -1.74 119.26 118.53 1uei h ALA 192 Ca 0.36 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uei h ALA 192 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1uei h ALA 192 CO -0.14 0.60 0.03 0.35 0.00 0.00 0.00 179.25 180.09 1uei h PHE 193 N 0.59 0.09 -0.23 0.00 3.57 0.15 0.80 116.94 121.91 1uei h PHE 193 Ca 0.09 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1uei h PHE 193 Cb 0.69 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1uei h PHE 193 CO 0.03 0.15 -0.18 0.93 -2.23 0.00 0.00 178.31 177.01 1uei h GLU 194 N 0.00 0.40 0.08 1.11 5.08 -1.22 0.18 114.58 120.21 1uei h GLU 194 Ca 0.02 -0.12 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 1uei h GLU 194 Cb 0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1uei h GLU 194 CO -0.00 0.57 -1.91 -1.91 -1.00 0.00 0.00 179.01 174.76 1uei n GLU 195 N -4.19 0.71 -0.06 2.33 2.13 -0.66 -4.47 120.64 116.43 1uei n GLU 195 Ca -0.00 0.27 -0.10 0.00 0.66 0.00 0.00 57.16 57.99 1uei n GLU 195 Cb 0.34 -1.73 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 1uei n GLU 195 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1uei n PHE 196 N -3.31 0.00 0.00 4.31 3.72 0.28 -4.71 117.46 117.74 1uei n PHE 196 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1uei n PHE 196 Cb 1.05 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1uei n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uei n LEU 198 N -1.57 0.19 0.09 0.00 0.00 0.60 0.26 117.00 116.56 1uei n LEU 198 Ca 0.00 1.50 0.07 0.00 0.00 0.00 0.00 56.01 57.58 1uei n LEU 198 Cb 0.00 -0.67 0.53 0.00 0.00 0.00 0.00 43.42 43.27 1uei n LEU 198 CO 0.00 -1.63 1.13 -0.65 0.00 0.00 0.00 177.39 176.24 1uei h PRO 199 N 0.00 0.30 0.00 1.96 0.11 -1.78 -2.16 132.00 130.42 1uei h PRO 199 Ca 0.70 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.79 1uei h PRO 199 Cb 1.74 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.79 1uei h PRO 199 CO -0.74 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 177.50 1uei n THR 200 N -4.49 0.98 0.24 -1.15 -2.24 0.14 -2.71 114.28 105.05 1uei n THR 200 Ca 0.02 0.36 0.17 0.00 -2.27 0.00 0.00 64.05 62.32 1uei n THR 200 Cb 0.13 -1.28 0.86 0.00 -2.10 0.00 0.00 70.33 67.95 1uei n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1uei h LYS 201 N 0.00 0.00 0.00 -0.78 3.64 -1.50 0.12 116.57 118.05 1uei h LYS 201 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1uei h LYS 201 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1uei h LYS 201 CO 0.00 0.00 0.00 1.57 -2.27 0.00 0.00 179.45 178.75 1uei h LYS 202 N 0.00 0.00 -0.00 1.90 2.10 -1.73 -2.29 116.57 116.55 1uei h LYS 202 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1uei h LYS 202 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1uei h LYS 202 CO -0.00 0.00 -0.46 0.66 -2.00 0.00 0.00 179.45 177.65 1uei n TYR 203 N -2.87 0.00 -2.24 0.07 4.01 0.03 -4.94 117.16 111.22 1uei n TYR 203 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1uei n TYR 203 Cb 0.16 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 1uei n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uei s ALA 204 N -2.97 3.05 -0.10 -0.72 0.00 -0.86 -4.81 121.76 115.34 1uei s ALA 204 Ca 0.12 0.98 0.15 0.00 0.00 0.00 0.00 51.96 53.21 1uei s ALA 204 Cb 0.18 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 1uei s ALA 204 CO 0.68 -0.65 0.89 -0.44 0.00 0.00 0.00 175.76 176.24 1uei h ASP 205 N 2.26 0.00 -3.53 0.00 3.32 -1.24 -3.46 116.42 113.78 1uei h ASP 205 Ca -0.49 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.31 1uei h ASP 205 Cb 1.24 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.48 1uei h ASP 205 CO 0.61 0.66 -0.62 -0.69 -1.72 0.00 0.00 179.24 177.48 1uei s VAL 206 N -2.86 -0.04 -0.15 -1.35 1.01 -1.14 -5.04 120.40 110.83 1uei s VAL 206 Ca -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1uei s VAL 206 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 1uei s VAL 206 CO 0.81 0.06 0.01 -0.63 0.00 0.00 0.00 175.10 175.34 1uei s ILE 207 N 0.89 4.33 -0.41 2.22 1.01 -1.26 -2.13 121.20 125.84 1uei s ILE 207 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1uei s ILE 207 Cb -0.09 -2.91 0.11 0.00 0.01 0.00 0.00 42.46 39.58 1uei s ILE 207 CO -0.04 0.50 0.18 -0.63 0.00 0.00 0.00 174.94 174.95 1uei s ILE 208 N 0.16 3.03 0.55 2.92 1.01 0.93 -4.96 121.20 124.85 1uei s ILE 208 Ca 0.01 -2.23 -0.17 0.00 0.00 0.00 0.00 60.65 58.27 1uei s ILE 208 Cb -0.13 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 1uei s ILE 208 CO 0.02 -0.68 1.04 -2.16 0.00 0.00 0.00 174.94 173.15 1uei s PRO 209 N 0.96 3.56 0.00 2.79 0.04 -1.26 -0.79 135.00 140.30 1uei s PRO 209 Ca 0.10 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1uei s PRO 209 Cb -0.22 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1uei s PRO 209 CO -0.05 -0.61 0.00 0.54 0.04 0.00 0.00 177.00 176.92 1uei n ARG 210 N -1.72 -0.21 0.00 4.56 1.74 -0.69 -4.49 116.66 115.85 1uei n ARG 210 Ca 0.08 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1uei n ARG 210 Cb 0.53 -3.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.19 1uei n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uei n GLY 211 N -1.75 2.08 0.58 -0.13 0.00 -1.19 -2.57 105.19 102.21 1uei n GLY 211 Ca 0.00 -0.37 0.37 0.00 0.00 0.00 0.00 46.02 46.03 1uei n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uei h ALA 212 N -0.58 3.21 0.00 4.61 0.00 -1.86 0.17 119.26 124.81 1uei h ALA 212 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uei h ALA 212 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1uei h ALA 212 CO 0.00 -1.79 0.00 -0.25 0.00 0.00 0.00 179.25 177.21 1uei n ASP 213 N -3.74 0.28 -3.87 0.00 8.00 -1.06 -4.17 116.55 111.99 1uei n ASP 213 Ca 0.29 0.55 -0.42 0.00 0.71 0.00 0.00 54.79 55.92 1uei n ASP 213 Cb 1.53 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 1uei n ASP 213 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1uei n ASN 214 N -1.79 4.83 0.01 -2.24 2.85 0.60 -4.77 115.26 114.75 1uei n ASN 214 Ca 0.04 -3.04 0.09 0.00 -0.11 0.00 0.00 54.58 51.56 1uei n ASN 214 Cb 0.26 -1.53 0.51 0.00 1.24 0.00 0.00 39.78 40.26 1uei n ASN 214 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1uei h LEU 215 N 8.48 0.33 0.02 1.20 3.38 -1.84 -1.65 115.31 125.24 1uei h LEU 215 Ca 0.43 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 1uei h LEU 215 Cb 0.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1uei h LEU 215 CO 1.66 0.22 -0.01 0.58 0.09 0.00 0.00 178.44 180.98 1uei h VAL 216 N 0.38 1.04 -0.50 1.22 2.07 -1.96 0.61 116.25 119.10 1uei h VAL 216 Ca 0.18 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1uei h VAL 216 Cb 0.26 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1uei h VAL 216 CO -0.04 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.77 1uei h ALA 217 N 0.87 0.65 -0.65 1.67 0.00 -1.83 -2.29 119.26 117.69 1uei h ALA 217 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1uei h ALA 217 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1uei h ALA 217 CO 0.00 0.28 0.27 0.82 0.00 0.00 0.00 179.25 180.63 1uei h ILE 218 N 0.67 1.22 -0.70 0.00 2.04 -1.18 -2.07 117.51 117.49 1uei h ILE 218 Ca 0.16 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 1uei h ILE 218 Cb 0.23 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1uei h ILE 218 CO -0.01 0.28 0.23 0.78 0.00 0.00 0.00 178.15 179.43 1uei h ASN 219 N 0.93 0.99 -0.06 1.72 2.35 -0.55 -0.28 115.58 120.68 1uei h ASN 219 Ca 0.22 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1uei h ASN 219 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1uei h ASN 219 CO -0.02 0.91 -0.37 -0.07 -1.65 0.00 0.00 177.43 176.23 1uei h LEU 220 N 1.03 0.59 0.16 1.61 3.38 -1.09 -1.12 115.31 119.88 1uei h LEU 220 Ca 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1uei h LEU 220 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1uei h LEU 220 CO -0.01 0.91 -0.07 0.40 0.09 0.00 0.00 178.44 179.75 1uei h ILE 221 N 0.48 0.97 0.00 1.22 2.04 -0.87 0.12 117.51 121.47 1uei h ILE 221 Ca 0.05 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1uei h ILE 221 Cb 0.86 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1uei h ILE 221 CO 0.07 0.14 -0.14 -0.37 0.00 0.00 0.00 178.15 177.86 1uei h VAL 222 N -0.51 1.02 -0.19 1.67 -1.51 -1.03 0.21 116.25 115.92 1uei h VAL 222 Ca -0.02 -0.49 -0.14 0.00 -1.23 0.00 0.00 66.70 64.82 1uei h VAL 222 Cb 0.39 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1uei h VAL 222 CO 0.04 0.14 -0.49 1.56 -1.23 0.00 0.00 177.57 177.58 1uei h GLN 223 N 0.00 0.50 -0.11 5.19 7.50 -0.95 -0.19 115.11 127.05 1uei h GLN 223 Ca -0.00 -0.29 -0.20 0.00 0.50 0.00 0.00 58.65 58.66 1uei h GLN 223 Cb 0.26 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1uei h GLN 223 CO 0.02 0.88 -0.75 1.25 -1.50 0.00 0.00 178.83 178.73 1uei h HIS 224 N 0.40 0.76 -0.38 2.96 6.17 0.12 -2.11 115.15 123.07 1uei h HIS 224 Ca 0.02 -0.33 -0.09 0.00 0.71 0.00 0.00 60.37 60.67 1uei h HIS 224 Cb 1.00 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.80 1uei h HIS 224 CO 0.04 1.12 -0.12 0.82 0.71 0.00 0.00 177.93 180.49 1uei h ILE 225 N 0.38 1.28 -0.51 6.26 2.04 -0.54 -2.52 117.51 123.90 1uei h ILE 225 Ca -0.04 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1uei h ILE 225 Cb 1.34 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1uei h ILE 225 CO 0.14 0.41 0.32 1.56 0.00 0.00 0.00 178.15 180.58 1uei h GLN 226 N 0.56 0.69 -0.64 2.37 4.20 -0.98 -2.47 115.11 118.83 1uei h GLN 226 Ca 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1uei h GLN 226 Cb 0.65 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1uei h GLN 226 CO 0.04 0.48 0.36 -0.44 -0.67 0.00 0.00 178.83 178.60 1uei h ASP 227 N 0.69 0.80 -0.55 1.46 3.32 -1.27 -2.85 116.42 118.02 1uei h ASP 227 Ca 0.19 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1uei h ASP 227 Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1uei h ASP 227 CO -0.04 0.65 0.07 0.40 -1.72 0.00 0.00 179.24 178.60 1uei h ILE 228 N 0.87 1.25 0.00 0.35 2.04 -1.30 -1.89 117.51 118.84 1uei h ILE 228 Ca 0.23 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1uei h ILE 228 Cb 0.03 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1uei h ILE 228 CO -0.04 0.37 0.00 0.18 0.00 0.00 0.00 178.15 178.67 1uei n LEU 229 N -4.21 0.00 0.00 1.44 4.32 -0.94 -5.13 117.00 112.47 1uei n LEU 229 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1uei n LEU 229 Cb 0.29 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1uei n LEU 229 CO 0.42 0.00 0.13 0.59 -1.22 0.00 0.00 177.39 177.32