#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q84 n GLY 2 N 0.00 0.59 0.63 8.31 0.00 -1.26 -4.58 105.19 108.87 1q84 n GLY 2 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 46.02 45.40 1q84 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q84 n ARG 3 N 0.00 2.76 -3.74 1.61 5.12 -1.26 -5.03 116.66 116.12 1q84 n ARG 3 Ca 0.00 -2.38 -0.22 0.00 -1.93 0.00 0.00 57.85 53.32 1q84 n ARG 3 Cb 0.00 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 1q84 n ARG 3 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1q84 s GLU 4 N -1.95 3.43 -0.05 5.56 2.02 -1.26 -5.00 118.70 121.45 1q84 s GLU 4 Ca 0.30 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 1q84 s GLU 4 Cb 0.22 -2.81 -0.08 0.00 0.10 0.00 0.00 34.13 31.56 1q84 s GLU 4 CO 0.10 0.31 2.05 -3.47 0.02 0.00 0.00 175.26 174.27 1q84 n ASP 5 N -1.55 3.85 0.29 -0.19 -0.08 -1.26 -4.82 116.55 112.79 1q84 n ASP 5 Ca -0.07 0.70 0.19 0.00 -1.51 0.00 0.00 54.79 54.10 1q84 n ASP 5 Cb 0.57 -1.52 0.87 0.00 2.34 0.00 0.00 41.12 43.37 1q84 n ASP 5 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1q84 h PRO 6 N 11.84 0.00 0.00 -0.67 0.13 -1.97 -2.16 132.00 139.17 1q84 h PRO 6 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1q84 h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1q84 h PRO 6 CO 0.95 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.66 1q84 n GLN 7 N -3.05 0.12 -0.08 0.86 -0.06 -1.26 -3.39 117.38 110.52 1q84 n GLN 7 Ca -0.01 0.13 0.06 0.00 -2.00 0.00 0.00 57.00 55.19 1q84 n GLN 7 Cb 0.22 -1.50 0.10 0.00 -4.06 0.00 0.00 30.24 25.00 1q84 n GLN 7 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1q84 n LEU 8 N -1.41 2.47 -4.48 1.69 4.77 -0.81 -4.91 117.00 114.32 1q84 n LEU 8 Ca 0.07 -1.40 -0.36 0.00 -0.03 0.00 0.00 56.01 54.29 1q84 n LEU 8 Cb 0.20 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1q84 n LEU 8 CO 0.17 0.54 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.74 1q84 s LEU 9 N -1.04 3.54 -0.01 2.23 1.43 -1.22 -1.41 118.68 122.20 1q84 s LEU 9 Ca 0.20 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1q84 s LEU 9 Cb 0.12 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1q84 s LEU 9 CO 0.17 -0.02 0.06 -0.69 0.23 0.00 0.00 176.35 176.10 1q84 s VAL 10 N 1.51 0.03 -0.16 -1.59 1.01 -0.81 -4.99 120.40 115.39 1q84 s VAL 10 Ca 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1q84 s VAL 10 Cb -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1q84 s VAL 10 CO 0.04 -0.14 -0.02 -0.60 0.00 0.00 0.00 175.10 174.38 1q84 s ARG 11 N -0.43 3.73 0.51 2.72 3.52 -1.26 0.37 118.95 128.10 1q84 s ARG 11 Ca -0.05 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 1q84 s ARG 11 Cb -0.03 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1q84 s ARG 11 CO 0.00 0.24 0.19 0.14 -0.81 0.00 0.00 175.30 175.06 1q84 s VAL 12 N 0.39 1.55 0.56 7.11 -7.23 -0.23 -4.86 120.40 117.69 1q84 s VAL 12 Ca -0.03 -1.75 0.25 0.00 -1.81 0.00 0.00 61.98 58.65 1q84 s VAL 12 Cb -0.14 -2.30 0.35 0.00 0.56 0.00 0.00 36.38 34.86 1q84 s VAL 12 CO 0.02 0.00 2.08 -0.09 -0.31 0.00 0.00 175.10 176.80 1q84 h ARG 13 N 1.13 0.00 -0.01 4.82 9.65 -1.94 -1.18 114.38 126.85 1q84 h ARG 13 Ca -0.41 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1q84 h ARG 13 Cb 1.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1q84 h ARG 13 CO 0.67 0.00 -0.35 0.41 2.80 0.00 0.00 179.97 183.50 1q84 n GLY 14 N -1.50 -0.47 0.00 2.80 0.00 -1.26 -4.86 105.19 99.90 1q84 n GLY 14 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1q84 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 15 N 1.37 0.52 3.81 -0.02 0.00 -0.45 -0.66 105.19 109.76 1q84 n GLY 15 Ca 0.11 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1q84 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q84 s GLN 16 N -2.00 4.34 0.06 1.61 -0.21 -1.26 -1.07 119.66 121.13 1q84 s GLN 16 Ca 0.00 1.02 0.06 0.00 0.02 0.00 0.00 55.36 56.46 1q84 s GLN 16 Cb 0.00 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 1q84 s GLN 16 CO 0.00 0.31 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.79 1q84 s LEU 17 N -2.16 2.22 -0.19 2.90 1.43 0.16 -1.23 118.68 121.81 1q84 s LEU 17 Ca 0.47 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1q84 s LEU 17 Cb -0.16 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1q84 s LEU 17 CO 0.21 0.06 -0.19 -0.60 0.23 0.00 0.00 176.35 176.06 1q84 s ARG 18 N -1.42 2.95 0.00 1.70 3.52 -0.46 -1.93 118.95 123.32 1q84 s ARG 18 Ca 0.04 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1q84 s ARG 18 Cb -0.09 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 1q84 s ARG 18 CO 0.02 -0.23 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 1q84 n GLY 19 N 4.61 1.63 3.08 8.12 0.00 -0.50 -0.21 105.19 121.93 1q84 n GLY 19 Ca -0.21 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.53 1q84 n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q84 s ILE 20 N 0.82 0.94 -0.30 -0.61 2.07 -0.26 -4.82 121.20 119.04 1q84 s ILE 20 Ca 0.00 -0.62 -0.23 0.00 -1.41 0.00 0.00 60.65 58.39 1q84 s ILE 20 Cb 0.00 -0.81 -0.00 0.00 0.13 0.00 0.00 42.46 41.78 1q84 s ILE 20 CO 0.00 0.18 0.77 -0.60 -1.91 0.00 0.00 174.94 173.38 1q84 s ARG 21 N -0.50 3.97 0.18 3.50 3.52 -1.26 -1.30 118.95 127.06 1q84 s ARG 21 Ca 0.03 0.57 0.06 0.00 -0.13 0.00 0.00 55.73 56.26 1q84 s ARG 21 Cb -0.05 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1q84 s ARG 21 CO -0.00 -0.65 0.11 -0.51 -0.81 0.00 0.00 175.30 173.45 1q84 s LEU 22 N 2.89 3.69 -0.17 -0.88 1.43 -0.01 -4.95 118.68 120.69 1q84 s LEU 22 Ca 0.31 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 1q84 s LEU 22 Cb -0.14 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1q84 s LEU 22 CO 0.12 0.06 0.48 -0.75 0.23 0.00 0.00 176.35 176.48 1q84 s LYS 23 N -3.17 4.25 0.32 1.70 2.20 -1.26 -1.50 119.74 122.29 1q84 s LYS 23 Ca 0.30 0.39 0.09 0.00 -0.36 0.00 0.00 55.97 56.39 1q84 s LYS 23 Cb -0.10 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1q84 s LYS 23 CO 0.23 0.01 0.10 0.00 -0.36 0.00 0.00 175.35 175.32 1q84 s ALA 24 N 1.14 3.40 0.21 3.13 0.00 -0.46 -4.93 121.76 124.25 1q84 s ALA 24 Ca 0.24 -1.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.27 1q84 s ALA 24 Cb -0.15 -0.71 0.25 0.00 0.00 0.00 0.00 23.12 22.51 1q84 s ALA 24 CO 0.09 0.09 1.63 -1.35 0.00 0.00 0.00 175.76 176.22 1q84 h PRO 25 N 1.64 0.01 -0.00 0.00 0.11 -1.95 -2.49 132.00 129.32 1q84 h PRO 25 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1q84 h PRO 25 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1q84 h PRO 25 CO 0.63 0.01 -0.09 0.41 -0.21 0.00 0.00 178.00 178.75 1q84 n GLY 26 N -1.42 -0.88 0.00 -0.55 0.00 -1.26 -5.02 105.19 96.05 1q84 n GLY 26 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1q84 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 27 N 1.25 -0.57 3.80 -0.02 0.00 -0.94 -5.11 105.19 103.60 1q84 n GLY 27 Ca 0.15 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1q84 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q84 s PRO 28 N -1.71 3.54 0.13 1.61 0.04 -1.26 -1.35 135.00 136.00 1q84 s PRO 28 Ca 0.00 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1q84 s PRO 28 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1q84 s PRO 28 CO 0.00 -0.64 -0.09 0.14 0.04 0.00 0.00 177.00 176.45 1q84 s VAL 29 N -2.21 1.03 -0.15 -0.36 -7.23 -0.56 -3.83 120.40 107.09 1q84 s VAL 29 Ca 0.66 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.72 1q84 s VAL 29 Cb -0.17 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 1q84 s VAL 29 CO 0.29 -0.77 0.17 -0.44 -0.31 0.00 0.00 175.10 174.04 1q84 s SER 30 N -3.10 6.34 -0.03 4.85 0.01 -0.36 -0.83 113.70 120.59 1q84 s SER 30 Ca 0.15 0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.85 1q84 s SER 30 Cb 0.03 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1q84 s SER 30 CO -0.01 0.26 -0.15 0.00 0.41 0.00 0.00 173.24 173.75 1q84 s ALA 31 N -0.20 1.27 -0.34 1.44 0.00 -0.42 -0.89 121.76 122.61 1q84 s ALA 31 Ca 0.13 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1q84 s ALA 31 Cb -0.12 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.72 1q84 s ALA 31 CO 0.02 0.26 0.06 -0.06 0.00 0.00 0.00 175.76 176.04 1q84 s PHE 32 N -0.10 3.51 -0.06 0.00 0.40 0.54 -1.10 117.98 121.17 1q84 s PHE 32 Ca 0.01 -2.86 0.01 0.00 -0.60 0.00 0.00 56.93 53.49 1q84 s PHE 32 Cb -0.08 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1q84 s PHE 32 CO 0.01 -0.94 -0.07 -0.51 0.70 0.00 0.00 175.22 174.41 1q84 s LEU 33 N 0.98 3.19 -0.24 -0.37 1.43 0.35 -0.92 118.68 123.10 1q84 s LEU 33 Ca 0.11 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1q84 s LEU 33 Cb -0.19 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1q84 s LEU 33 CO -0.10 0.35 0.12 0.61 0.23 0.00 0.00 176.35 177.56 1q84 n GLY 34 N 2.11 0.54 3.68 -3.19 0.00 -1.08 -3.63 105.19 103.63 1q84 n GLY 34 Ca -0.18 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1q84 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q84 s ILE 35 N -2.72 4.79 0.16 -0.61 1.01 -0.45 -4.80 121.20 118.58 1q84 s ILE 35 Ca 0.06 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 1q84 s ILE 35 Cb -0.03 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 1q84 s ILE 35 CO 0.07 -0.02 1.12 -2.16 0.00 0.00 0.00 174.94 173.95 1q84 s PRO 36 N 2.22 4.56 0.00 2.79 0.04 -1.26 -0.52 135.00 142.82 1q84 s PRO 36 Ca 0.45 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1q84 s PRO 36 Cb -0.17 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1q84 s PRO 36 CO 0.15 0.02 0.37 1.97 0.04 0.00 0.00 177.00 179.55 1q84 n PHE 37 N 2.58 0.00 -4.01 0.56 1.16 -1.09 -4.87 117.46 111.79 1q84 n PHE 37 Ca 0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.54 1q84 n PHE 37 Cb 0.46 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.24 1q84 n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1q84 s ALA 38 N -0.80 0.25 0.33 1.98 0.00 -1.25 -2.94 121.76 119.32 1q84 s ALA 38 Ca 0.03 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 1q84 s ALA 38 Cb 0.03 0.34 -0.11 0.00 0.00 0.00 0.00 23.12 23.38 1q84 s ALA 38 CO 0.09 -0.41 1.44 -1.21 0.00 0.00 0.00 175.76 175.67 1q84 s GLU 39 N -3.82 4.21 -0.08 0.00 0.41 -0.25 -4.40 118.70 114.77 1q84 s GLU 39 Ca 0.06 2.43 -0.36 0.00 -0.41 0.00 0.00 54.97 56.68 1q84 s GLU 39 Cb 0.06 -3.03 -0.14 0.00 -1.78 0.00 0.00 34.13 29.25 1q84 s GLU 39 CO -0.10 -0.43 1.70 -2.30 -0.49 0.00 0.00 175.26 173.64 1q84 n PRO 40 N 1.08 1.71 -1.63 0.39 -0.02 -1.26 -4.70 135.00 130.56 1q84 n PRO 40 Ca 0.03 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1q84 n PRO 40 Cb 0.40 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1q84 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q84 n PRO 41 N 5.06 3.97 -4.33 0.52 -0.04 -1.26 -4.92 135.00 134.00 1q84 n PRO 41 Ca 0.22 -2.75 -0.25 0.00 -0.04 0.00 0.00 63.50 60.69 1q84 n PRO 41 Cb 0.23 -2.78 -0.09 0.00 -0.04 0.00 0.00 33.50 30.82 1q84 n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1q84 s VAL 42 N 0.95 3.12 0.00 0.52 -7.23 -1.26 -3.52 120.40 112.98 1q84 s VAL 42 Ca 0.61 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1q84 s VAL 42 Cb 0.17 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1q84 s VAL 42 CO -0.07 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1q84 n GLY 43 N -0.45 2.75 0.00 2.32 0.00 -1.26 -2.27 105.19 106.28 1q84 n GLY 43 Ca -0.08 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1q84 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q84 n SER 44 N 8.72 0.00 -0.49 1.61 3.41 -1.26 -2.82 113.62 122.80 1q84 n SER 44 Ca 0.00 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1q84 n SER 44 Cb 0.00 -0.48 0.40 0.00 -0.26 0.00 0.00 64.21 63.87 1q84 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q84 n ARG 45 N -1.48 1.52 -2.10 4.33 5.12 -0.96 -4.84 116.66 118.24 1q84 n ARG 45 Ca 0.05 -0.98 -0.41 0.00 -1.93 0.00 0.00 57.85 54.58 1q84 n ARG 45 Cb 0.21 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1q84 n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1q84 s ARG 46 N -2.15 4.34 0.00 5.56 3.52 -1.13 -2.17 118.95 126.93 1q84 s ARG 46 Ca 0.32 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1q84 s ARG 46 Cb 0.20 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1q84 s ARG 46 CO 0.39 -0.22 0.00 1.19 -0.81 0.00 0.00 175.30 175.85 1q84 n PHE 47 N 1.06 0.00 -3.56 5.12 3.72 -1.26 -4.94 117.46 117.59 1q84 n PHE 47 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 1q84 n PHE 47 Cb 0.42 -0.61 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1q84 n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1q84 s MET 48 N -0.33 3.55 0.52 -1.08 -1.94 -0.92 -4.25 119.30 114.86 1q84 s MET 48 Ca 0.00 -0.24 -0.21 0.00 -1.71 0.00 0.00 55.69 53.53 1q84 s MET 48 Cb 0.00 -2.76 -0.07 0.00 2.01 0.00 0.00 34.83 34.01 1q84 s MET 48 CO 0.00 0.32 1.06 -2.30 -0.01 0.00 0.00 175.02 174.09 1q84 n PRO 49 N -0.85 1.24 -2.30 2.03 -0.02 -1.26 -4.93 135.00 128.90 1q84 n PRO 49 Ca -0.04 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 1q84 n PRO 49 Cb 0.54 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1q84 n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1q84 s PRO 50 N -2.50 3.82 0.01 0.52 0.04 -1.26 -5.05 135.00 130.58 1q84 s PRO 50 Ca 0.70 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.47 1q84 s PRO 50 Cb -0.46 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1q84 s PRO 50 CO 0.51 -0.49 0.07 -1.21 0.04 0.00 0.00 177.00 175.92 1q84 s GLU 51 N -2.68 3.00 0.49 4.56 2.02 -1.26 -5.03 118.70 119.80 1q84 s GLU 51 Ca 0.63 -0.54 -0.24 0.00 0.02 0.00 0.00 54.97 54.84 1q84 s GLU 51 Cb -0.27 -2.81 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 1q84 s GLU 51 CO 0.33 0.63 1.37 -2.30 0.02 0.00 0.00 175.26 175.31 1q84 n PRO 52 N 1.05 1.94 -1.86 0.39 -0.02 -1.26 -1.09 135.00 134.14 1q84 n PRO 52 Ca -0.12 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 1q84 n PRO 52 Cb 0.52 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1q84 n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1q84 s LYS 53 N -2.61 4.18 0.29 -0.52 2.47 -1.15 -4.09 119.74 118.31 1q84 s LYS 53 Ca 0.66 2.47 -0.29 0.00 -1.56 0.00 0.00 55.97 57.25 1q84 s LYS 53 Cb -0.44 -3.09 -0.09 0.00 -1.46 0.00 0.00 37.83 32.75 1q84 s LYS 53 CO 0.54 -0.60 1.06 1.03 0.16 0.00 0.00 175.35 177.53 1q84 s ARG 54 N 0.32 4.61 0.60 4.03 0.52 -1.26 -4.91 118.95 122.86 1q84 s ARG 54 Ca 0.67 1.70 -0.18 0.00 -0.52 0.00 0.00 55.73 57.39 1q84 s ARG 54 Cb -0.46 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 31.84 1q84 s ARG 54 CO 0.39 0.22 0.81 -2.30 0.02 0.00 0.00 175.30 174.45 1q84 n PRO 55 N 1.06 0.74 -4.40 3.54 -0.02 -1.26 -4.99 135.00 129.67 1q84 n PRO 55 Ca -0.00 0.29 -0.26 0.00 -2.02 0.00 0.00 63.50 61.50 1q84 n PRO 55 Cb 0.46 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 1q84 n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1q84 s TRP 56 N -1.59 2.56 0.10 6.00 -2.14 0.16 -5.04 118.94 119.00 1q84 s TRP 56 Ca 0.74 -0.63 0.08 0.00 2.66 0.00 0.00 56.10 58.94 1q84 s TRP 56 Cb -0.42 -1.86 -0.04 0.00 -3.10 0.00 0.00 33.47 28.05 1q84 s TRP 56 CO 0.49 0.33 -0.13 -1.54 -2.66 0.00 0.00 176.95 173.43 1q84 s SER 57 N -3.80 4.18 0.00 -2.66 1.04 -1.26 -4.65 113.70 106.55 1q84 s SER 57 Ca 0.38 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1q84 s SER 57 Cb 0.07 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1q84 s SER 57 CO 0.20 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1q84 n GLY 58 N 0.81 -2.37 3.53 7.32 0.00 -1.26 -4.76 105.19 108.47 1q84 n GLY 58 Ca -0.14 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1q84 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q84 s VAL 59 N -0.63 5.02 0.06 1.61 1.01 -1.26 -4.00 120.40 122.22 1q84 s VAL 59 Ca 0.00 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1q84 s VAL 59 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1q84 s VAL 59 CO 0.00 -0.31 1.26 -0.22 0.00 0.00 0.00 175.10 175.83 1q84 s LEU 60 N 2.35 4.36 -0.18 3.92 0.20 -0.37 -4.84 118.68 124.12 1q84 s LEU 60 Ca 0.17 2.08 -0.29 0.00 0.69 0.00 0.00 54.13 56.78 1q84 s LEU 60 Cb -0.16 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 42.01 1q84 s LEU 60 CO 0.14 -0.54 1.26 -0.62 -0.29 0.00 0.00 176.35 176.30 1q84 s ASP 61 N 1.17 6.92 -0.43 3.68 -1.08 -1.26 -1.35 116.67 124.32 1q84 s ASP 61 Ca 0.60 1.65 0.09 0.00 -0.52 0.00 0.00 52.55 54.37 1q84 s ASP 61 Cb -0.31 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.02 1q84 s ASP 61 CO 0.29 -0.79 1.02 0.00 0.52 0.00 0.00 175.17 176.21 1q84 n ALA 62 N 6.70 4.37 0.29 3.66 0.00 0.71 -4.76 120.51 131.48 1q84 n ALA 62 Ca 0.14 -4.02 0.03 0.00 0.00 0.00 0.00 53.44 49.59 1q84 n ALA 62 Cb 0.45 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 1q84 n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q84 n THR 63 N -0.28 0.00 -4.11 0.00 -2.24 -1.24 -0.50 114.28 105.91 1q84 n THR 63 Ca 0.29 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1q84 n THR 63 Cb 0.66 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.83 1q84 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1q84 s THR 64 N -1.21 0.64 0.47 4.28 -4.23 -1.26 -4.88 115.64 109.45 1q84 s THR 64 Ca 0.05 -1.41 -0.24 0.00 -1.18 0.00 0.00 61.69 58.91 1q84 s THR 64 Cb 0.05 -1.03 -0.07 0.00 1.34 0.00 0.00 72.50 72.79 1q84 s THR 64 CO 0.19 -0.55 1.35 -0.36 -0.54 0.00 0.00 174.62 174.71 1q84 s PHE 65 N -2.18 2.54 0.67 3.99 0.08 -1.26 -3.64 117.98 118.18 1q84 s PHE 65 Ca -0.02 1.36 0.01 0.00 0.12 0.00 0.00 56.93 58.41 1q84 s PHE 65 Cb -0.05 -3.77 0.13 0.00 -0.57 0.00 0.00 43.02 38.77 1q84 s PHE 65 CO -0.01 -2.56 0.93 1.04 -0.10 0.00 0.00 175.22 174.51 1q84 n GLN 66 N -0.38 0.02 -1.55 0.44 1.13 -1.26 -4.91 117.38 110.86 1q84 n GLN 66 Ca 0.06 -2.64 -0.39 0.00 -1.94 0.00 0.00 57.00 52.09 1q84 n GLN 66 Cb 0.44 -0.58 0.03 0.00 0.11 0.00 0.00 30.24 30.24 1q84 n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1q84 n ASN 67 N -2.83 0.18 -4.81 1.08 3.02 -1.26 -4.84 115.26 105.80 1q84 n ASN 67 Ca 0.16 0.87 -0.37 0.00 -0.03 0.00 0.00 54.58 55.21 1q84 n ASN 67 Cb 0.56 -1.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.39 1q84 n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q84 s VAL 68 N -1.49 4.55 0.40 2.41 1.01 0.01 -4.69 120.40 122.60 1q84 s VAL 68 Ca 0.68 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 1q84 s VAL 68 Cb -0.49 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1q84 s VAL 68 CO 0.54 0.33 1.31 0.00 0.00 0.00 0.00 175.10 177.28 1q84 n TYR 70 N 0.21 2.24 -3.48 0.00 9.36 -1.08 -4.72 117.16 119.70 1q84 n TYR 70 Ca 0.03 0.32 -0.10 0.00 3.32 0.00 0.00 57.90 61.47 1q84 n TYR 70 Cb 0.43 -2.52 -0.02 0.00 -0.63 0.00 0.00 39.34 36.60 1q84 n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1q84 s GLN 71 N 0.58 0.96 0.15 2.98 -2.07 -1.26 -4.67 119.66 116.33 1q84 s GLN 71 Ca 0.76 -0.33 -0.31 0.00 -1.82 0.00 0.00 55.36 53.66 1q84 s GLN 71 Cb -0.68 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 31.59 1q84 s GLN 71 CO 0.41 -0.42 1.52 -0.47 -1.32 0.00 0.00 175.29 175.01 1q84 s TYR 72 N -3.22 3.11 -0.22 9.60 6.14 -1.26 -5.00 117.35 126.50 1q84 s TYR 72 Ca 0.03 0.71 -0.08 0.00 0.64 0.00 0.00 57.07 58.37 1q84 s TYR 72 Cb -0.01 -3.86 -0.04 0.00 0.42 0.00 0.00 41.96 38.47 1q84 s TYR 72 CO -0.10 -3.14 0.09 0.08 0.64 0.00 0.00 175.55 173.13 1q84 s VAL 73 N 1.15 4.81 0.04 3.14 1.01 -1.26 -4.90 120.40 124.39 1q84 s VAL 73 Ca 0.69 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 1q84 s VAL 73 Cb -0.42 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1q84 s VAL 73 CO 0.31 0.38 1.44 -0.62 0.00 0.00 0.00 175.10 176.61 1q84 s ASP 74 N 0.98 6.80 -0.06 3.32 2.15 -1.26 -4.93 116.67 123.68 1q84 s ASP 74 Ca 0.05 2.23 0.09 0.00 0.43 0.00 0.00 52.55 55.35 1q84 s ASP 74 Cb -0.14 -2.57 0.13 0.00 -0.30 0.00 0.00 42.92 40.04 1q84 s ASP 74 CO 0.03 -0.73 1.01 0.35 -0.17 0.00 0.00 175.17 175.67 1q84 n THR 75 N 4.47 1.09 -0.10 1.71 -2.24 -1.26 -4.85 114.28 113.10 1q84 n THR 75 Ca 0.13 -1.26 -0.08 0.00 -2.27 0.00 0.00 64.05 60.57 1q84 n THR 75 Cb 0.43 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1q84 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1q84 h LEU 76 N 0.00 -1.10 -6.51 3.22 5.85 -2.01 -3.29 115.31 111.46 1q84 h LEU 76 Ca 0.00 0.19 -0.60 0.00 0.84 0.00 0.00 57.88 58.31 1q84 h LEU 76 Cb 0.96 0.51 -0.41 0.00 0.37 0.00 0.00 40.66 42.08 1q84 h LEU 76 CO 0.00 -0.33 -0.70 -1.22 -0.34 0.00 0.00 178.44 175.85 1q84 n TYR 77 N -5.42 2.45 -2.03 1.25 4.01 -1.26 -5.11 117.16 111.06 1q84 n TYR 77 Ca 0.00 -4.04 -0.41 0.00 -0.16 0.00 0.00 57.90 53.29 1q84 n TYR 77 Cb 0.34 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.89 1q84 n TYR 77 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1q84 s PRO 78 N -1.65 4.28 0.00 -0.72 0.04 -1.24 -2.24 135.00 133.48 1q84 s PRO 78 Ca 0.33 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1q84 s PRO 78 Cb 0.07 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1q84 s PRO 78 CO -0.10 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1q84 n GLY 79 N 1.71 1.61 3.66 0.56 0.00 -1.26 -5.04 105.19 106.44 1q84 n GLY 79 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1q84 n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q84 s PHE 80 N -2.77 3.36 0.41 1.61 5.36 -0.95 -4.97 117.98 120.03 1q84 s PHE 80 Ca 0.00 0.60 0.13 0.00 -0.96 0.00 0.00 56.93 56.70 1q84 s PHE 80 Cb 0.00 -2.54 0.97 0.00 -0.34 0.00 0.00 43.02 41.11 1q84 s PHE 80 CO 0.00 -0.05 1.93 1.49 -1.46 0.00 0.00 175.22 177.13 1q84 h GLU 81 N 7.48 0.48 -0.17 10.12 4.22 -1.96 -1.55 114.58 133.21 1q84 h GLU 81 Ca -0.35 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.06 1q84 h GLU 81 Cb 1.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1q84 h GLU 81 CO 0.71 0.32 0.10 0.78 -2.18 0.00 0.00 179.01 178.74 1q84 h GLY 82 N 0.50 0.24 0.17 1.92 0.00 -1.93 -1.84 103.07 102.14 1q84 h GLY 82 Ca 0.36 -0.09 -0.38 0.00 0.00 0.00 0.00 47.33 47.22 1q84 h GLY 82 CO -0.12 0.09 -2.34 -1.30 0.00 0.00 0.00 176.54 172.87 1q84 n THR 83 N -4.50 1.56 0.23 4.70 -2.24 -0.86 -4.60 114.28 108.57 1q84 n THR 83 Ca -0.00 -0.61 0.10 0.00 -2.27 0.00 0.00 64.05 61.26 1q84 n THR 83 Cb 0.08 -1.44 0.50 0.00 -2.10 0.00 0.00 70.33 67.37 1q84 n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1q84 h GLU 84 N 0.02 0.00 0.00 -0.78 4.39 -1.15 -1.79 114.58 115.27 1q84 h GLU 84 Ca -0.53 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 1q84 h GLU 84 Cb 1.95 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1q84 h GLU 84 CO -0.03 0.22 -0.00 0.00 -1.16 0.00 0.00 179.01 178.04 1q84 h MET 85 N 0.00 0.00 0.00 2.33 -0.00 -1.59 -1.35 114.93 114.32 1q84 h MET 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1q84 h MET 85 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 1q84 h MET 85 CO 0.03 0.00 -1.15 0.91 -0.00 0.00 0.00 176.91 176.70 1q84 n TRP 86 N -3.09 0.19 -1.79 -0.10 7.02 -0.68 -4.73 117.44 114.27 1q84 n TRP 86 Ca -0.02 0.06 -0.31 0.00 -1.02 0.00 0.00 57.50 56.20 1q84 n TRP 86 Cb 0.10 -0.38 0.03 0.00 -2.42 0.00 0.00 31.31 28.64 1q84 n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1q84 s ASN 87 N -3.88 5.71 0.30 -0.99 0.01 -0.51 -4.71 114.94 110.87 1q84 s ASN 87 Ca 0.03 1.62 -0.30 0.00 -0.71 0.00 0.00 52.86 53.50 1q84 s ASN 87 Cb 0.15 -2.50 -0.12 0.00 0.41 0.00 0.00 41.25 39.18 1q84 s ASN 87 CO 0.83 -1.22 1.41 -2.65 -1.51 0.00 0.00 177.10 173.96 1q84 n PRO 88 N -2.70 2.26 -0.05 -0.60 -0.02 -1.26 -4.91 135.00 127.71 1q84 n PRO 88 Ca 0.07 0.80 0.02 0.00 -2.02 0.00 0.00 63.50 62.37 1q84 n PRO 88 Cb 0.53 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 1q84 n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1q84 n ASN 89 N 1.53 2.13 -4.09 2.55 6.94 -1.26 -4.98 115.26 118.08 1q84 n ASN 89 Ca 0.08 -1.82 -0.19 0.00 -0.02 0.00 0.00 54.58 52.63 1q84 n ASN 89 Cb 0.35 -0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 37.61 1q84 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1q84 s ARG 90 N -0.86 1.60 0.35 -3.83 1.81 -1.26 -5.09 118.95 111.67 1q84 s ARG 90 Ca 0.08 -1.91 -0.28 0.00 -1.72 0.00 0.00 55.73 51.90 1q84 s ARG 90 Cb 0.04 -0.22 -0.12 0.00 -0.45 0.00 0.00 34.95 34.20 1q84 s ARG 90 CO 0.06 -0.41 1.36 -1.91 -0.68 0.00 0.00 175.30 173.72 1q84 n GLU 91 N -0.60 2.31 -2.63 3.54 2.13 -1.26 -4.42 120.64 119.71 1q84 n GLU 91 Ca -0.00 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.21 1q84 n GLU 91 Cb 0.65 -2.45 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 1q84 n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1q84 s LEU 92 N -1.33 4.37 0.07 4.31 1.43 -1.26 -0.81 118.68 125.46 1q84 s LEU 92 Ca 0.55 1.76 -0.20 0.00 -1.03 0.00 0.00 54.13 55.21 1q84 s LEU 92 Cb -0.54 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.15 1q84 s LEU 92 CO 0.62 -0.31 0.47 -0.55 0.23 0.00 0.00 176.35 176.81 1q84 s SER 93 N 1.01 -0.36 0.48 2.29 0.15 -0.41 -4.91 113.70 111.95 1q84 s SER 93 Ca 0.54 0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.48 1q84 s SER 93 Cb -0.23 0.48 0.87 0.00 -1.71 0.00 0.00 66.02 65.43 1q84 s SER 93 CO 0.28 -0.75 1.80 -0.33 1.20 0.00 0.00 173.24 175.45 1q84 h GLU 94 N 2.71 0.00 -5.28 5.44 5.08 -1.95 -2.85 114.58 117.73 1q84 h GLU 94 Ca -0.32 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.36 1q84 h GLU 94 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1q84 h GLU 94 CO 0.43 0.00 1.17 0.34 -1.00 0.00 0.00 179.01 179.95 1q84 s ASP 95 N -5.84 6.69 0.00 1.42 -1.08 -1.26 -4.28 116.67 112.32 1q84 s ASP 95 Ca 0.04 -2.11 0.00 0.00 -0.52 0.00 0.00 52.55 49.96 1q84 s ASP 95 Cb 0.07 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1q84 s ASP 95 CO 0.60 -1.11 0.21 0.00 0.52 0.00 0.00 175.17 175.38 1q84 s LEU 97 N -0.01 4.61 0.11 0.00 1.43 -1.26 -4.62 118.68 118.94 1q84 s LEU 97 Ca 0.00 -2.68 0.05 0.00 -1.03 0.00 0.00 54.13 50.47 1q84 s LEU 97 Cb 0.00 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1q84 s LEU 97 CO 0.00 -0.94 -0.12 -0.31 0.23 0.00 0.00 176.35 175.21 1q84 s TYR 98 N 2.63 1.24 0.24 0.29 2.02 -1.26 -2.68 117.35 119.82 1q84 s TYR 98 Ca 0.45 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1q84 s TYR 98 Cb -0.01 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.84 1q84 s TYR 98 CO 0.01 0.08 0.01 -0.48 -1.57 0.00 0.00 175.55 173.60 1q84 s LEU 99 N -2.38 2.12 0.05 -1.29 0.05 0.32 -1.55 118.68 116.00 1q84 s LEU 99 Ca 0.06 -1.25 0.06 0.00 0.05 0.00 0.00 54.13 53.06 1q84 s LEU 99 Cb -0.05 -0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 43.84 1q84 s LEU 99 CO 0.02 -0.55 -0.17 0.20 -0.55 0.00 0.00 176.35 175.29 1q84 s ASN 100 N -3.31 2.08 -0.05 1.48 0.01 0.12 -1.34 114.94 113.93 1q84 s ASN 100 Ca 0.30 -0.52 -0.00 0.00 -0.71 0.00 0.00 52.86 51.93 1q84 s ASN 100 Cb 0.06 -0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.60 1q84 s ASN 100 CO 0.10 0.08 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.06 1q84 s VAL 101 N -0.90 0.34 -0.04 1.60 1.01 -0.09 -1.41 120.40 120.89 1q84 s VAL 101 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1q84 s VAL 101 Cb -0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1q84 s VAL 101 CO 0.02 0.21 -0.07 0.26 0.00 0.00 0.00 175.10 175.52 1q84 s TRP 102 N 1.38 2.91 0.07 5.22 0.51 -0.20 -0.34 118.94 128.49 1q84 s TRP 102 Ca -0.04 -0.01 -0.05 0.00 -2.12 0.00 0.00 56.10 53.88 1q84 s TRP 102 Cb -0.13 -1.67 -0.02 0.00 -0.81 0.00 0.00 33.47 30.84 1q84 s TRP 102 CO -0.02 0.34 0.09 0.95 -0.51 0.00 0.00 176.95 177.79 1q84 s THR 103 N -0.87 0.17 0.74 2.01 -4.23 -0.07 -1.57 115.64 111.83 1q84 s THR 103 Ca 0.14 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 59.05 1q84 s THR 103 Cb -0.11 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1q84 s THR 103 CO 0.03 -0.80 0.89 -2.65 -0.54 0.00 0.00 174.62 171.56 1q84 n PRO 104 N 0.10 0.41 -4.08 3.99 -0.02 -1.26 -1.23 135.00 132.91 1q84 n PRO 104 Ca -0.15 0.19 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 1q84 n PRO 104 Cb 0.61 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 1q84 n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1q84 s TYR 105 N -1.88 2.53 0.76 6.00 5.04 -1.25 -2.71 117.35 125.84 1q84 s TYR 105 Ca 0.71 -1.48 -0.11 0.00 -2.44 0.00 0.00 57.07 53.75 1q84 s TYR 105 Cb -0.34 -1.79 0.05 0.00 0.35 0.00 0.00 41.96 40.24 1q84 s TYR 105 CO 0.52 -0.75 1.09 -1.25 -1.34 0.00 0.00 175.55 173.82 1q84 s PRO 106 N 1.37 2.35 0.41 4.97 0.04 -1.26 -4.77 135.00 138.11 1q84 s PRO 106 Ca 0.05 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 1q84 s PRO 106 Cb -0.13 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1q84 s PRO 106 CO -0.12 -1.57 1.34 0.54 0.04 0.00 0.00 177.00 177.23 1q84 n ARG 107 N -3.45 2.15 -1.70 4.56 1.74 -1.10 -4.87 116.66 113.98 1q84 n ARG 107 Ca 0.09 0.76 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 1q84 n ARG 107 Cb 0.53 -2.47 0.03 0.00 -1.02 0.00 0.00 32.46 29.53 1q84 n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1q84 n PRO 108 N 0.15 1.74 0.10 5.56 -0.04 -1.26 -4.95 135.00 136.30 1q84 n PRO 108 Ca 0.05 0.63 -0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1q84 n PRO 108 Cb 0.39 -2.41 -0.08 0.00 -0.04 0.00 0.00 33.50 31.36 1q84 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q84 h ALA 109 N 1.72 -0.24 -2.90 0.55 0.00 -1.94 -3.45 119.26 112.99 1q84 h ALA 109 Ca -0.49 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 53.67 1q84 h ALA 109 Cb 1.31 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1q84 h ALA 109 CO 0.58 -0.52 -0.54 -1.54 0.00 0.00 0.00 179.25 177.24 1q84 s SER 110 N -5.19 5.97 0.19 0.00 1.04 -1.26 -5.07 113.70 109.38 1q84 s SER 110 Ca -0.15 0.10 -0.33 0.00 0.48 0.00 0.00 55.95 56.06 1q84 s SER 110 Cb 0.03 -1.72 -0.14 0.00 0.10 0.00 0.00 66.02 64.29 1q84 s SER 110 CO 0.62 0.13 1.42 -2.65 0.98 0.00 0.00 173.24 173.74 1q84 n PRO 111 N 0.10 1.84 -4.81 4.02 -0.02 -1.26 -4.94 135.00 129.93 1q84 n PRO 111 Ca -0.07 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1q84 n PRO 111 Cb 0.52 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 1q84 n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q84 s THR 112 N 0.28 3.25 0.09 3.45 2.01 -0.49 -4.72 115.64 119.50 1q84 s THR 112 Ca 0.74 -0.65 -0.36 0.00 0.31 0.00 0.00 61.69 61.73 1q84 s THR 112 Cb -0.72 -2.29 -0.18 0.00 0.01 0.00 0.00 72.50 69.32 1q84 s THR 112 CO 0.46 0.59 1.14 -2.65 -0.69 0.00 0.00 174.62 173.47 1q84 n PRO 113 N 2.32 0.67 -4.28 4.92 -0.02 -1.26 -0.08 135.00 137.26 1q84 n PRO 113 Ca -0.17 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 1q84 n PRO 113 Cb 0.52 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 1q84 n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q84 s VAL 114 N 0.03 4.38 -0.13 -1.45 1.01 -0.30 -2.85 120.40 121.09 1q84 s VAL 114 Ca 0.82 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1q84 s VAL 114 Cb -1.03 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1q84 s VAL 114 CO 0.52 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 175.23 1q84 s LEU 115 N -0.42 2.32 -0.24 3.92 1.43 -0.01 -1.38 118.68 124.30 1q84 s LEU 115 Ca 0.08 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1q84 s LEU 115 Cb -0.12 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1q84 s LEU 115 CO 0.02 0.12 -0.03 -0.63 0.23 0.00 0.00 176.35 176.06 1q84 s ILE 116 N 0.62 3.35 -0.01 -0.59 1.01 0.07 -0.50 121.20 125.15 1q84 s ILE 116 Ca -0.10 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 1q84 s ILE 116 Cb -0.16 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1q84 s ILE 116 CO 0.03 0.32 0.61 0.86 0.00 0.00 0.00 174.94 176.76 1q84 s TRP 117 N 1.45 3.67 -0.26 3.97 -0.11 0.24 -0.53 118.94 127.37 1q84 s TRP 117 Ca 0.04 1.22 0.03 0.00 1.22 0.00 0.00 56.10 58.61 1q84 s TRP 117 Cb -0.15 -2.64 0.06 0.00 -1.50 0.00 0.00 33.47 29.24 1q84 s TRP 117 CO -0.03 0.32 -0.10 0.42 -4.62 0.00 0.00 176.95 172.95 1q84 s ILE 118 N -0.08 2.12 0.74 5.86 1.01 -0.15 -3.86 121.20 126.83 1q84 s ILE 118 Ca 0.32 -1.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 1q84 s ILE 118 Cb -0.18 -2.26 0.04 0.00 0.01 0.00 0.00 42.46 40.07 1q84 s ILE 118 CO 0.17 -0.07 1.13 -0.72 0.00 0.00 0.00 174.94 175.46 1q84 s TYR 119 N 1.11 2.34 0.00 3.97 -0.85 -1.26 -3.46 117.35 119.20 1q84 s TYR 119 Ca -0.07 1.60 0.00 0.00 -0.52 0.00 0.00 57.07 58.07 1q84 s TYR 119 Cb -0.20 -3.23 0.00 0.00 0.38 0.00 0.00 41.96 38.91 1q84 s TYR 119 CO -0.05 -2.08 0.00 0.41 -1.52 0.00 0.00 175.55 172.30 1q84 n GLY 120 N -0.38 1.79 0.00 5.49 0.00 -1.12 -3.16 105.19 107.80 1q84 n GLY 120 Ca 0.11 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1q84 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 121 N 5.00 1.51 2.49 -0.02 0.00 -1.26 -4.15 105.19 108.76 1q84 n GLY 121 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1q84 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q84 n GLY 122 N 0.00 1.60 2.76 -0.02 0.00 -1.26 -1.77 105.19 106.51 1q84 n GLY 122 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 1q84 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q84 n PHE 123 N -2.57 0.00 -0.00 1.61 3.72 -1.26 -4.78 117.46 114.17 1q84 n PHE 123 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1q84 n PHE 123 Cb 0.57 -1.56 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 1q84 n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1q84 n TYR 124 N -2.24 0.00 -3.87 1.38 0.18 -0.75 -0.37 117.16 111.49 1q84 n TYR 124 Ca -0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1q84 n TYR 124 Cb 0.39 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.35 1q84 n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1q84 s SER 125 N -0.82 0.15 0.00 9.48 1.04 -0.73 -4.18 113.70 118.64 1q84 s SER 125 Ca 0.00 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1q84 s SER 125 Cb 0.00 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1q84 s SER 125 CO 0.00 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.25 1q84 n GLY 126 N -0.53 2.54 3.56 7.32 0.00 -1.26 -4.14 105.19 112.69 1q84 n GLY 126 Ca -0.06 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 1q84 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 s ALA 127 N -2.37 -1.87 -1.20 4.61 0.00 -1.26 -4.65 121.76 115.01 1q84 s ALA 127 Ca 0.00 1.52 0.30 0.00 0.00 0.00 0.00 51.96 53.78 1q84 s ALA 127 Cb 0.00 -0.52 1.37 0.00 0.00 0.00 0.00 23.12 23.98 1q84 s ALA 127 CO 0.00 -0.33 1.99 0.00 0.00 0.00 0.00 175.76 177.42 1q84 n ALA 128 N 0.97 2.40 1.34 0.00 0.00 -1.26 -3.70 120.51 120.26 1q84 n ALA 128 Ca -0.14 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1q84 n ALA 128 Cb 0.57 -1.48 0.44 0.00 0.00 0.00 0.00 19.45 18.99 1q84 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q84 n SER 129 N -1.40 1.13 -4.74 0.00 3.41 -1.26 -4.82 113.62 105.93 1q84 n SER 129 Ca 0.10 -1.06 -0.35 0.00 -0.26 0.00 0.00 58.87 57.30 1q84 n SER 129 Cb 0.29 0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1q84 n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q84 s LEU 130 N -2.34 3.55 0.39 1.04 1.43 -1.24 -4.91 118.68 116.60 1q84 s LEU 130 Ca 0.29 2.39 0.05 0.00 -1.03 0.00 0.00 54.13 55.83 1q84 s LEU 130 Cb 0.20 -4.60 0.78 0.00 0.03 0.00 0.00 46.19 42.60 1q84 s LEU 130 CO 0.46 -1.81 2.04 0.44 0.23 0.00 0.00 176.35 177.70 1q84 h ASP 131 N 0.51 0.57 0.78 2.29 3.32 -1.92 -2.02 116.42 119.95 1q84 h ASP 131 Ca -0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1q84 h ASP 131 Cb 1.30 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1q84 h ASP 131 CO 0.53 0.41 0.00 1.33 -1.72 0.00 0.00 179.24 179.80 1q84 n VAL 132 N -4.46 0.81 -0.74 -1.35 0.24 -1.26 -2.31 118.33 109.26 1q84 n VAL 132 Ca 0.05 0.17 0.09 0.00 -2.04 0.00 0.00 64.34 62.61 1q84 n VAL 132 Cb 0.06 -1.07 0.38 0.00 -1.47 0.00 0.00 33.84 31.74 1q84 n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1q84 n TYR 133 N -2.14 1.70 -1.82 6.34 4.01 -0.76 -4.49 117.16 120.01 1q84 n TYR 133 Ca 0.03 -0.66 -0.43 0.00 -0.16 0.00 0.00 57.90 56.68 1q84 n TYR 133 Cb 0.25 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 1q84 n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1q84 s ASP 134 N -0.89 6.01 0.00 7.72 -1.08 -0.98 -4.87 116.67 122.57 1q84 s ASP 134 Ca 0.52 1.92 0.28 0.00 -0.52 0.00 0.00 52.55 54.76 1q84 s ASP 134 Cb 0.36 -2.52 1.68 0.00 -1.46 0.00 0.00 42.92 40.98 1q84 s ASP 134 CO 0.21 -1.51 2.03 0.61 0.52 0.00 0.00 175.17 177.03 1q84 n GLY 135 N 5.11 -0.90 0.21 2.66 0.00 -1.26 -4.22 105.19 106.80 1q84 n GLY 135 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1q84 n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q84 h ARG 136 N 0.00 0.18 -0.03 1.61 0.11 -1.89 -2.41 114.38 111.95 1q84 h ARG 136 Ca 0.00 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 1q84 h ARG 136 Cb 0.00 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.07 1q84 h ARG 136 CO 0.00 0.45 -0.30 0.74 0.10 0.00 0.00 179.97 180.96 1q84 h PHE 137 N 0.16 0.36 -0.85 4.08 0.04 -1.76 -0.99 116.94 117.97 1q84 h PHE 137 Ca 0.02 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 1q84 h PHE 137 Cb 0.59 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 1q84 h PHE 137 CO 0.01 0.94 0.49 -0.07 -0.60 0.00 0.00 178.31 179.08 1q84 h LEU 138 N -0.33 1.04 -0.30 1.54 3.38 -1.68 0.12 115.31 119.09 1q84 h LEU 138 Ca -0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1q84 h LEU 138 Cb 1.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1q84 h LEU 138 CO 0.06 0.81 0.08 0.00 0.09 0.00 0.00 178.44 179.48 1q84 h ALA 139 N 1.27 0.39 -0.03 1.53 0.00 -1.44 -1.66 119.26 119.31 1q84 h ALA 139 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1q84 h ALA 139 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1q84 h ALA 139 CO -0.05 0.04 -0.16 0.37 0.00 0.00 0.00 179.25 179.45 1q84 h GLN 140 N 0.32 0.17 0.22 0.00 -0.00 -0.95 -2.26 115.11 112.60 1q84 h GLN 140 Ca 0.09 -0.14 -0.33 0.00 -0.00 0.00 0.00 58.65 58.27 1q84 h GLN 140 Cb 0.28 0.03 0.02 0.00 0.00 0.00 0.00 27.48 27.81 1q84 h GLN 140 CO 0.00 0.80 -1.54 0.28 0.00 0.00 0.00 178.83 178.37 1q84 h VAL 141 N -0.42 1.20 -0.02 2.39 2.07 -1.06 -3.36 116.25 117.05 1q84 h VAL 141 Ca -0.01 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1q84 h VAL 141 Cb 0.83 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1q84 h VAL 141 CO 0.03 0.83 -0.12 -0.62 0.02 0.00 0.00 177.57 177.72 1q84 n GLU 142 N -3.64 1.66 -1.31 1.57 -0.58 -0.64 -4.98 120.64 112.72 1q84 n GLU 142 Ca -0.18 -1.43 -0.11 0.00 -0.42 0.00 0.00 57.16 55.02 1q84 n GLU 142 Cb 1.09 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 30.54 1q84 n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q84 n GLY 143 N 1.15 1.20 3.82 0.62 0.00 -0.85 -4.99 105.19 106.14 1q84 n GLY 143 Ca 0.10 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1q84 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 s ALA 144 N -2.39 3.04 -0.24 4.61 0.00 -1.16 -4.79 121.76 120.83 1q84 s ALA 144 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1q84 s ALA 144 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1q84 s ALA 144 CO 0.00 0.11 0.46 0.08 0.00 0.00 0.00 175.76 176.42 1q84 s VAL 145 N -2.19 5.12 -0.08 0.00 1.01 -1.13 -4.07 120.40 119.05 1q84 s VAL 145 Ca 0.62 0.80 0.04 0.00 0.00 0.00 0.00 61.98 63.43 1q84 s VAL 145 Cb -0.09 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1q84 s VAL 145 CO 0.14 0.15 -0.20 -0.22 0.00 0.00 0.00 175.10 174.96 1q84 s LEU 146 N 1.97 2.35 -0.04 3.92 0.20 -0.61 -0.83 118.68 125.64 1q84 s LEU 146 Ca 0.20 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.64 1q84 s LEU 146 Cb -0.15 -1.47 -0.00 0.00 -0.43 0.00 0.00 46.19 44.13 1q84 s LEU 146 CO 0.09 0.23 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.52 1q84 s VAL 147 N -0.03 1.38 0.04 1.68 1.01 0.34 -1.03 120.40 123.79 1q84 s VAL 147 Ca -0.06 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1q84 s VAL 147 Cb -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1q84 s VAL 147 CO 0.05 0.40 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 1q84 s SER 148 N 0.01 0.85 0.05 3.32 1.04 -0.50 -0.59 113.70 117.88 1q84 s SER 148 Ca -0.03 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1q84 s SER 148 Cb -0.11 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1q84 s SER 148 CO 0.02 -0.19 -0.13 0.00 0.98 0.00 0.00 173.24 173.92 1q84 s MET 149 N -1.50 0.79 0.17 4.02 0.23 -1.25 0.11 119.30 121.86 1q84 s MET 149 Ca -0.09 -0.82 -0.27 0.00 -1.03 0.00 0.00 55.69 53.47 1q84 s MET 149 Cb -0.10 -0.75 -0.08 0.00 -1.53 0.00 0.00 34.83 32.37 1q84 s MET 149 CO 0.00 0.17 0.84 -0.80 -2.03 0.00 0.00 175.02 173.21 1q84 s ASN 150 N -1.44 7.46 0.06 -1.18 -0.87 -0.60 -4.55 114.94 113.82 1q84 s ASN 150 Ca -0.02 1.73 0.04 0.00 -1.57 0.00 0.00 52.86 53.04 1q84 s ASN 150 Cb -0.09 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.58 1q84 s ASN 150 CO 0.01 0.14 -0.12 -0.72 -2.57 0.00 0.00 177.10 173.84 1q84 s TYR 151 N -0.89 1.07 0.36 2.20 1.13 -1.26 -4.51 117.35 115.45 1q84 s TYR 151 Ca 0.39 -0.46 -0.28 0.00 -1.41 0.00 0.00 57.07 55.31 1q84 s TYR 151 Cb -0.24 -0.61 -0.11 0.00 -1.10 0.00 0.00 41.96 39.91 1q84 s TYR 151 CO 0.28 0.02 1.43 1.03 -2.51 0.00 0.00 175.55 175.80 1q84 s ARG 152 N -1.64 4.19 0.41 -3.49 0.52 -1.26 -4.86 118.95 112.81 1q84 s ARG 152 Ca -0.04 2.46 0.04 0.00 -0.52 0.00 0.00 55.73 57.67 1q84 s ARG 152 Cb -0.10 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.33 1q84 s ARG 152 CO 0.02 -0.43 0.05 0.14 0.02 0.00 0.00 175.30 175.10 1q84 s VAL 153 N -1.11 1.23 0.00 3.52 -7.23 -1.26 -4.18 120.40 111.37 1q84 s VAL 153 Ca 0.52 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1q84 s VAL 153 Cb -0.44 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1q84 s VAL 153 CO 0.60 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 1q84 n GLY 154 N -0.93 0.88 0.37 2.32 0.00 0.50 -2.14 105.19 106.18 1q84 n GLY 154 Ca -0.08 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.35 1q84 n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1q84 h THR 155 N 0.00 0.98 -0.22 2.61 1.35 -1.90 -0.38 112.91 115.34 1q84 h THR 155 Ca 0.00 -0.34 -0.05 0.00 -0.55 0.00 0.00 66.41 65.48 1q84 h THR 155 Cb 0.00 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.32 1q84 h THR 155 CO 0.00 0.18 -0.08 -0.26 -0.25 0.00 0.00 175.52 175.11 1q84 h PHE 156 N 0.98 0.36 0.00 4.73 0.04 -1.86 -1.55 116.94 119.64 1q84 h PHE 156 Ca 0.44 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 61.01 1q84 h PHE 156 Cb 0.39 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 1q84 h PHE 156 CO -0.00 0.43 -1.75 0.41 -0.60 0.00 0.00 178.31 176.80 1q84 n GLY 157 N -0.88 -1.13 0.00 -1.45 0.00 -0.91 -4.21 105.19 96.62 1q84 n GLY 157 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1q84 n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q84 n PHE 158 N -2.69 0.00 -1.96 1.61 3.72 -0.20 -0.90 117.46 117.05 1q84 n PHE 158 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1q84 n PHE 158 Cb 0.82 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.33 1q84 n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1q84 s LEU 159 N -0.11 4.37 -0.02 4.37 0.20 -0.60 -4.50 118.68 122.39 1q84 s LEU 159 Ca 0.00 2.51 0.01 0.00 0.69 0.00 0.00 54.13 57.34 1q84 s LEU 159 Cb 0.00 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.19 1q84 s LEU 159 CO 0.00 -0.84 -0.05 0.00 -0.29 0.00 0.00 176.35 175.17 1q84 s ALA 160 N 1.99 0.54 -0.75 5.97 0.00 -1.26 -4.33 121.76 123.92 1q84 s ALA 160 Ca 0.72 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 1q84 s ALA 160 Cb -0.41 -0.26 0.19 0.00 0.00 0.00 0.00 23.12 22.64 1q84 s ALA 160 CO 0.32 0.05 0.60 -0.51 0.00 0.00 0.00 175.76 176.22 1q84 s LEU 161 N 0.41 5.48 0.20 0.00 1.43 -0.07 -3.91 118.68 122.22 1q84 s LEU 161 Ca -0.05 -3.20 -0.33 0.00 -1.03 0.00 0.00 54.13 49.52 1q84 s LEU 161 Cb -0.09 -1.90 -0.13 0.00 0.03 0.00 0.00 46.19 44.10 1q84 s LEU 161 CO -0.00 -0.31 1.55 -2.65 0.23 0.00 0.00 176.35 175.17 1q84 n PRO 162 N 3.04 2.24 0.00 1.29 -0.02 -1.26 -1.59 135.00 138.70 1q84 n PRO 162 Ca 0.14 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1q84 n PRO 162 Cb 0.38 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1q84 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q84 n GLY 163 N 3.06 2.51 3.83 -1.23 0.00 -1.26 -5.07 105.19 107.03 1q84 n GLY 163 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1q84 n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q84 s SER 164 N -1.33 5.51 0.06 1.61 1.04 -0.62 -4.99 113.70 114.98 1q84 s SER 164 Ca 0.00 1.55 0.14 0.00 0.48 0.00 0.00 55.95 58.12 1q84 s SER 164 Cb 0.00 -2.46 -0.15 0.00 0.10 0.00 0.00 66.02 63.51 1q84 s SER 164 CO 0.00 -1.35 0.92 -0.09 0.98 0.00 0.00 173.24 173.70 1q84 h ARG 165 N -0.65 0.00 0.00 4.02 2.43 -1.98 -3.37 114.38 114.83 1q84 h ARG 165 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1q84 h ARG 165 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1q84 h ARG 165 CO 0.58 0.49 -1.16 0.39 -1.51 0.00 0.00 179.97 178.76 1q84 n GLU 166 N -3.05 0.14 -2.95 0.20 4.71 -1.26 -4.55 120.64 113.88 1q84 n GLU 166 Ca -0.09 -0.04 -0.15 0.00 -0.01 0.00 0.00 57.16 56.87 1q84 n GLU 166 Cb 0.91 -1.51 -0.00 0.00 -1.01 0.00 0.00 31.44 29.83 1q84 n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1q84 n ALA 167 N -1.66 0.32 0.33 0.62 0.00 -1.26 -4.36 120.51 114.50 1q84 n ALA 167 Ca 0.02 -2.30 0.15 0.00 0.00 0.00 0.00 53.44 51.31 1q84 n ALA 167 Cb 0.38 -1.10 0.52 0.00 0.00 0.00 0.00 19.45 19.25 1q84 n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1q84 h PRO 168 N 3.94 0.00 0.00 0.00 0.13 -1.74 -0.14 132.00 134.19 1q84 h PRO 168 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1q84 h PRO 168 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1q84 h PRO 168 CO 0.38 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 1q84 n GLY 169 N 0.35 0.75 2.59 1.56 0.00 -1.26 -4.68 105.19 104.50 1q84 n GLY 169 Ca 0.02 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 1q84 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1q84 n ASN 170 N -0.60 -5.23 0.23 1.61 3.02 -1.26 -4.87 115.26 108.15 1q84 n ASN 170 Ca 0.00 0.34 0.08 0.00 -0.03 0.00 0.00 54.58 54.97 1q84 n ASN 170 Cb 0.00 -3.94 0.53 0.00 -0.61 0.00 0.00 39.78 35.77 1q84 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1q84 h VAL 171 N 0.00 0.84 -0.35 2.41 -1.51 -1.82 -1.08 116.25 114.73 1q84 h VAL 171 Ca -0.28 -0.92 -0.07 0.00 -1.23 0.00 0.00 66.70 64.20 1q84 h VAL 171 Cb 1.09 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.78 1q84 h VAL 171 CO 0.41 0.23 -0.06 1.23 -1.23 0.00 0.00 177.57 178.15 1q84 h GLY 172 N 1.16 0.62 1.50 5.19 0.00 -1.24 -0.02 103.07 110.29 1q84 h GLY 172 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1q84 h GLY 172 CO 0.03 0.38 -0.15 1.41 0.00 0.00 0.00 176.54 178.21 1q84 h LEU 173 N 0.54 0.59 -0.88 3.11 3.38 -1.48 -2.74 115.31 117.83 1q84 h LEU 173 Ca 0.11 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1q84 h LEU 173 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1q84 h LEU 173 CO 0.02 0.76 -0.51 -0.07 0.09 0.00 0.00 178.44 178.73 1q84 h LEU 174 N 0.54 0.14 -0.47 1.67 3.38 -0.71 -0.43 115.31 119.43 1q84 h LEU 174 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1q84 h LEU 174 Cb 0.57 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1q84 h LEU 174 CO 0.04 0.63 0.23 0.44 0.09 0.00 0.00 178.44 179.87 1q84 h ASP 175 N 0.10 0.60 -0.37 -0.43 3.32 -0.83 0.17 116.42 118.98 1q84 h ASP 175 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1q84 h ASP 175 Cb 0.94 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1q84 h ASP 175 CO 0.07 0.55 0.21 1.56 -1.72 0.00 0.00 179.24 179.91 1q84 h GLN 176 N 0.61 0.51 -0.74 3.56 4.20 -1.18 -0.88 115.11 121.18 1q84 h GLN 176 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1q84 h GLN 176 Cb 0.10 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1q84 h GLN 176 CO -0.02 0.40 0.43 -0.09 -0.67 0.00 0.00 178.83 178.88 1q84 h ARG 177 N 0.47 1.02 -0.88 1.46 2.43 -0.72 -0.95 114.38 117.21 1q84 h ARG 177 Ca 0.13 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1q84 h ARG 177 Cb 0.04 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1q84 h ARG 177 CO -0.02 0.74 0.48 1.25 -1.51 0.00 0.00 179.97 180.90 1q84 h LEU 178 N 1.02 1.11 -1.07 3.80 5.85 -0.51 -0.43 115.31 125.08 1q84 h LEU 178 Ca 0.26 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1q84 h LEU 178 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1q84 h LEU 178 CO -0.05 0.89 0.05 0.00 -0.34 0.00 0.00 178.44 179.00 1q84 h ALA 179 N 1.28 1.24 -0.42 1.25 0.00 -0.44 -0.14 119.26 122.03 1q84 h ALA 179 Ca 0.31 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1q84 h ALA 179 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1q84 h ALA 179 CO -0.05 0.51 -0.04 -0.07 0.00 0.00 0.00 179.25 179.61 1q84 h LEU 180 N 0.68 0.67 -0.53 0.00 3.38 -0.13 -1.84 115.31 117.55 1q84 h LEU 180 Ca 0.14 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1q84 h LEU 180 Cb 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1q84 h LEU 180 CO 0.01 0.77 -0.23 1.56 0.09 0.00 0.00 178.44 180.63 1q84 h GLN 181 N 0.65 0.95 -0.94 1.13 4.20 -0.55 -2.12 115.11 118.44 1q84 h GLN 181 Ca 0.13 -0.41 0.05 0.00 0.06 0.00 0.00 58.65 58.47 1q84 h GLN 181 Cb 0.46 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 1q84 h GLN 181 CO 0.02 1.07 0.61 2.35 -0.67 0.00 0.00 178.83 182.22 1q84 h TRP 182 N 0.82 1.13 -0.39 2.96 7.01 -0.77 -1.80 115.95 124.90 1q84 h TRP 182 Ca 0.10 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 1q84 h TRP 182 Cb 0.80 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1q84 h TRP 182 CO 0.05 0.63 -0.22 0.28 -2.79 0.00 0.00 178.44 176.39 1q84 h VAL 183 N 1.15 1.28 -0.62 2.65 2.07 -0.96 -0.75 116.25 121.06 1q84 h VAL 183 Ca 0.38 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.61 1q84 h VAL 183 Cb 0.07 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1q84 h VAL 183 CO -0.13 0.46 0.29 1.56 0.02 0.00 0.00 177.57 179.76 1q84 h GLN 184 N 0.64 0.50 0.05 1.57 1.08 -0.78 -0.44 115.11 117.72 1q84 h GLN 184 Ca 0.08 -0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 57.01 1q84 h GLN 184 Cb 0.79 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1q84 h GLN 184 CO 0.06 0.33 -1.12 1.49 -0.95 0.00 0.00 178.83 178.64 1q84 h GLU 185 N 0.51 0.10 0.00 1.46 4.81 -1.23 -3.41 114.58 116.82 1q84 h GLU 185 Ca 0.30 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1q84 h GLU 185 Cb 0.30 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1q84 h GLU 185 CO -0.25 1.06 -0.70 0.09 -0.73 0.00 0.00 179.01 178.48 1q84 n ASN 186 N -3.40 2.63 0.23 1.04 3.02 -0.30 -4.74 115.26 113.74 1q84 n ASN 186 Ca -0.04 -0.23 0.10 0.00 -0.03 0.00 0.00 54.58 54.38 1q84 n ASN 186 Cb 0.98 1.07 0.54 0.00 -0.61 0.00 0.00 39.78 41.75 1q84 n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1q84 h ILE 187 N 0.00 0.69 0.00 2.41 6.09 -1.23 -2.28 117.51 123.18 1q84 h ILE 187 Ca 0.00 -0.95 -0.00 0.00 -1.37 0.00 0.00 64.86 62.53 1q84 h ILE 187 Cb 0.09 1.61 -0.00 0.00 0.47 0.00 0.00 36.82 38.99 1q84 h ILE 187 CO 0.00 0.22 -0.02 0.00 -3.07 0.00 0.00 178.15 175.28 1q84 h ALA 188 N 1.78 1.79 0.00 0.18 0.00 -1.79 -1.01 119.26 120.20 1q84 h ALA 188 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q84 h ALA 188 Cb 0.59 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1q84 h ALA 188 CO 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.30 1q84 h ALA 189 N 1.98 1.03 -0.26 0.00 0.00 -1.72 -1.71 119.26 118.58 1q84 h ALA 189 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q84 h ALA 189 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1q84 h ALA 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1q84 n PHE 190 N -3.13 0.33 -0.80 0.00 3.01 -0.50 -4.90 117.46 111.48 1q84 n PHE 190 Ca -0.03 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.19 1q84 n PHE 190 Cb 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1q84 n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q84 n GLY 191 N 0.94 0.79 3.84 1.37 0.00 -0.64 -4.66 105.19 106.83 1q84 n GLY 191 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1q84 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q84 s GLY 192 N -1.87 1.97 -0.40 -0.02 0.00 -0.52 -1.40 107.32 105.09 1q84 s GLY 192 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.74 1q84 s GLY 192 CO 0.00 0.42 0.26 -0.35 0.00 0.00 0.00 173.10 173.43 1q84 s ASP 193 N -3.29 5.91 0.17 1.64 -1.08 0.89 -3.32 116.67 117.57 1q84 s ASP 193 Ca 0.59 -1.00 0.19 0.00 -0.52 0.00 0.00 52.55 51.80 1q84 s ASP 193 Cb -0.11 -2.09 0.82 0.00 -1.46 0.00 0.00 42.92 40.08 1q84 s ASP 193 CO 0.37 -0.43 1.57 -0.81 0.52 0.00 0.00 175.17 176.39 1q84 n PRO 194 N 5.07 0.11 -0.04 4.34 -0.04 -1.26 -2.09 135.00 141.09 1q84 n PRO 194 Ca -0.11 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1q84 n PRO 194 Cb 0.46 -1.74 0.46 0.00 -0.04 0.00 0.00 33.50 32.64 1q84 n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1q84 n MET 195 N -1.96 1.66 -3.32 0.54 2.81 -1.26 -4.45 117.12 111.14 1q84 n MET 195 Ca 0.02 -0.97 -0.23 0.00 -1.81 0.00 0.00 57.70 54.71 1q84 n MET 195 Cb 0.17 -1.43 -0.09 0.00 -0.71 0.00 0.00 33.22 31.17 1q84 n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1q84 s SER 196 N -1.75 1.28 -0.17 7.83 0.15 -0.89 -4.91 113.70 115.24 1q84 s SER 196 Ca 0.35 -2.47 0.01 0.00 0.70 0.00 0.00 55.95 54.54 1q84 s SER 196 Cb 0.19 0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1q84 s SER 196 CO 0.29 -0.20 -0.18 -0.69 1.20 0.00 0.00 173.24 173.66 1q84 s VAL 197 N 0.60 1.91 -0.19 4.45 1.01 -1.26 -1.15 120.40 125.76 1q84 s VAL 197 Ca 0.27 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1q84 s VAL 197 Cb -0.05 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1q84 s VAL 197 CO -0.11 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.53 1q84 s THR 198 N 1.32 3.15 0.08 3.92 2.01 -0.48 -0.59 115.64 125.05 1q84 s THR 198 Ca 0.04 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.23 1q84 s THR 198 Cb -0.13 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 1q84 s THR 198 CO -0.12 0.46 0.72 -0.76 -0.69 0.00 0.00 174.62 174.23 1q84 s LEU 199 N 1.19 4.50 0.03 4.42 1.43 -0.67 -0.75 118.68 128.83 1q84 s LEU 199 Ca 0.02 1.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1q84 s LEU 199 Cb -0.14 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1q84 s LEU 199 CO -0.03 0.12 -0.05 0.72 0.23 0.00 0.00 176.35 177.35 1q84 s PHE 200 N -0.53 0.44 0.03 0.29 -0.71 0.32 -0.95 117.98 116.87 1q84 s PHE 200 Ca 0.35 -0.59 -0.28 0.00 -1.04 0.00 0.00 56.93 55.37 1q84 s PHE 200 Cb -0.21 -0.29 0.09 0.00 -1.21 0.00 0.00 43.02 41.41 1q84 s PHE 200 CO 0.23 -0.17 0.91 0.20 -1.34 0.00 0.00 175.22 175.04 1q84 s GLY 201 N -1.72 -0.42 0.04 1.99 0.00 -1.08 -0.98 107.32 105.16 1q84 s GLY 201 Ca -0.11 0.83 0.05 0.00 0.00 0.00 0.00 44.72 45.50 1q84 s GLY 201 CO -0.02 0.27 -0.15 1.85 0.00 0.00 0.00 173.10 175.04 1q84 s GLU 202 N -3.14 1.04 7.31 2.90 -6.30 -1.22 -1.31 118.70 117.98 1q84 s GLU 202 Ca 0.07 -0.78 0.00 0.00 -2.50 0.00 0.00 54.97 51.75 1q84 s GLU 202 Cb -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 34.13 33.05 1q84 s GLU 202 CO -0.07 0.27 0.00 0.45 0.02 0.00 0.00 175.26 175.93 1q84 n SER 203 N 1.93 0.00 0.29 -1.70 2.88 -0.38 -0.71 113.62 115.93 1q84 n SER 203 Ca -0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1q84 n SER 203 Cb 0.54 0.00 0.90 0.00 -0.75 0.00 0.00 64.21 64.90 1q84 n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q84 h ALA 204 N -0.91 1.43 -0.56 -1.46 0.00 -1.86 -0.19 119.26 115.71 1q84 h ALA 204 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1q84 h ALA 204 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1q84 h ALA 204 CO 0.00 0.03 -0.01 0.78 0.00 0.00 0.00 179.25 180.05 1q84 h GLY 205 N 0.19 1.08 1.02 0.00 0.00 -0.87 -0.30 103.07 104.19 1q84 h GLY 205 Ca -0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 47.33 46.43 1q84 h GLY 205 CO 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 176.54 177.17 1q84 h ALA 206 N 0.96 0.61 -0.77 3.60 0.00 -1.05 -0.77 119.26 121.84 1q84 h ALA 206 Ca 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1q84 h ALA 206 Cb 0.56 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1q84 h ALA 206 CO 0.03 0.50 0.39 0.00 0.00 0.00 0.00 179.25 180.17 1q84 h ALA 207 N 0.86 1.23 -0.36 0.00 0.00 -1.04 -0.79 119.26 119.16 1q84 h ALA 207 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1q84 h ALA 207 Cb 0.65 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1q84 h ALA 207 CO 0.04 0.60 0.22 0.77 0.00 0.00 0.00 179.25 180.88 1q84 h SER 208 N 1.09 0.36 -0.65 0.00 0.02 -0.81 0.77 113.55 114.33 1q84 h SER 208 Ca 0.27 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1q84 h SER 208 Cb 0.08 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1q84 h SER 208 CO -0.04 0.26 0.39 0.58 -1.14 0.00 0.00 176.83 176.88 1q84 h VAL 209 N 0.44 1.05 -0.92 2.27 2.07 -0.38 -1.25 116.25 119.54 1q84 h VAL 209 Ca 0.14 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1q84 h VAL 209 Cb -0.01 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1q84 h VAL 209 CO -0.06 0.14 0.58 1.23 0.02 0.00 0.00 177.57 179.47 1q84 h GLY 210 N 0.76 1.32 1.77 2.17 0.00 -0.43 -1.72 103.07 106.93 1q84 h GLY 210 Ca 0.27 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1q84 h GLY 210 CO -0.12 0.51 -0.36 -0.33 0.00 0.00 0.00 176.54 176.24 1q84 h MET 211 N 1.26 0.27 -0.12 4.80 2.86 0.21 -1.75 114.93 122.46 1q84 h MET 211 Ca 0.33 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1q84 h MET 211 Cb -0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1q84 h MET 211 CO -0.07 0.59 -0.32 0.45 1.06 0.00 0.00 176.91 178.63 1q84 h HIS 212 N 0.23 0.26 -0.58 -0.22 3.86 -0.59 -1.36 115.15 116.75 1q84 h HIS 212 Ca 0.03 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1q84 h HIS 212 Cb 0.74 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1q84 h HIS 212 CO 0.01 0.53 0.08 0.82 0.86 0.00 0.00 177.93 180.24 1q84 h ILE 213 N 0.20 1.25 -0.01 2.45 2.04 -0.66 -3.15 117.51 119.63 1q84 h ILE 213 Ca 0.03 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1q84 h ILE 213 Cb 0.67 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1q84 h ILE 213 CO 0.05 0.36 -0.12 0.18 0.00 0.00 0.00 178.15 178.62 1q84 n LEU 214 N -4.23 0.81 -4.14 1.44 4.77 -0.72 -4.77 117.00 110.16 1q84 n LEU 214 Ca 0.04 -0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 1q84 n LEU 214 Cb 0.28 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.11 1q84 n LEU 214 CO 0.42 0.15 -0.47 -0.55 -1.33 0.00 0.00 177.39 175.61 1q84 s SER 215 N -2.34 3.87 0.15 -1.43 0.15 -0.56 -4.81 113.70 108.73 1q84 s SER 215 Ca 0.31 -0.88 -0.18 0.00 0.70 0.00 0.00 55.95 55.90 1q84 s SER 215 Cb 0.20 -1.57 0.03 0.00 -1.71 0.00 0.00 66.02 62.98 1q84 s SER 215 CO 0.45 -0.09 1.71 0.25 1.20 0.00 0.00 173.24 176.77 1q84 h LEU 216 N 7.93 -0.10 -2.17 3.45 6.46 -1.85 -1.35 115.31 127.68 1q84 h LEU 216 Ca -0.35 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.54 1q84 h LEU 216 Cb 1.11 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 1q84 h LEU 216 CO 0.58 -0.02 0.24 -0.65 -0.62 0.00 0.00 178.44 177.97 1q84 h PRO 217 N 0.09 0.00 0.00 5.25 0.11 -1.95 -1.17 132.00 134.33 1q84 h PRO 217 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1q84 h PRO 217 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1q84 h PRO 217 CO -0.23 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 178.33 1q84 h SER 218 N 0.00 0.00 0.47 -2.05 0.02 -1.49 -3.38 113.55 107.12 1q84 h SER 218 Ca 0.11 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1q84 h SER 218 Cb 0.59 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1q84 h SER 218 CO -0.00 0.00 -0.37 0.03 -1.14 0.00 0.00 176.83 175.35 1q84 h ARG 219 N 0.00 0.00 0.00 3.45 2.47 -1.20 -1.86 114.38 117.24 1q84 h ARG 219 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1q84 h ARG 219 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1q84 h ARG 219 CO 0.00 0.37 0.00 -1.13 0.56 0.00 0.00 179.97 179.77 1q84 n SER 220 N -3.93 0.00 -0.67 7.04 3.41 -1.26 -3.69 113.62 114.52 1q84 n SER 220 Ca -0.02 -0.42 0.10 0.00 -0.26 0.00 0.00 58.87 58.27 1q84 n SER 220 Cb 0.42 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1q84 n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1q84 n LEU 221 N -1.17 2.37 -3.77 1.04 4.77 -0.70 -4.98 117.00 114.57 1q84 n LEU 221 Ca 0.16 -0.89 -0.09 0.00 -0.03 0.00 0.00 56.01 55.16 1q84 n LEU 221 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1q84 n LEU 221 CO 0.18 0.42 0.26 0.72 -1.33 0.00 0.00 177.39 177.64 1q84 s PHE 222 N -2.02 -0.06 -0.00 -1.77 -0.71 -1.24 -4.90 117.98 107.27 1q84 s PHE 222 Ca 0.21 -0.29 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1q84 s PHE 222 Cb 0.17 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1q84 s PHE 222 CO 0.38 -0.92 0.01 0.72 -1.34 0.00 0.00 175.22 174.07 1q84 n HIS 223 N -0.34 0.00 -4.05 3.49 8.25 0.24 -4.93 115.22 117.88 1q84 n HIS 223 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1q84 n HIS 223 Cb 0.62 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.64 1q84 n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1q84 s ARG 224 N -2.02 1.19 -0.13 -0.41 0.52 -1.11 -4.46 118.95 112.53 1q84 s ARG 224 Ca -0.00 -1.33 -0.18 0.00 -0.52 0.00 0.00 55.73 53.70 1q84 s ARG 224 Cb 0.00 0.35 0.04 0.00 0.52 0.00 0.00 34.95 35.86 1q84 s ARG 224 CO 0.02 -0.42 0.47 0.00 0.02 0.00 0.00 175.30 175.38 1q84 s ALA 225 N -4.03 -1.17 -0.09 2.13 0.00 -1.02 -1.66 121.76 115.93 1q84 s ALA 225 Ca 0.24 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1q84 s ALA 225 Cb 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1q84 s ALA 225 CO 0.04 -0.25 -0.11 0.08 0.00 0.00 0.00 175.76 175.52 1q84 s VAL 226 N -0.26 1.15 -0.27 0.00 1.01 -0.12 -1.27 120.40 120.63 1q84 s VAL 226 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1q84 s VAL 226 Cb -0.03 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.33 1q84 s VAL 226 CO 0.03 0.37 -0.07 -0.76 0.00 0.00 0.00 175.10 174.66 1q84 s LEU 227 N 1.04 3.60 -0.31 3.92 1.02 -0.12 -2.62 118.68 125.21 1q84 s LEU 227 Ca -0.07 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.45 1q84 s LEU 227 Cb -0.15 -1.52 -0.01 0.00 0.02 0.00 0.00 46.19 44.53 1q84 s LEU 227 CO -0.01 -0.23 0.16 -1.10 0.02 0.00 0.00 176.35 175.19 1q84 s GLN 228 N 1.10 3.39 -1.37 1.70 -0.21 -0.43 -2.47 119.66 121.37 1q84 s GLN 228 Ca -0.05 -0.69 -0.07 0.00 0.02 0.00 0.00 55.36 54.58 1q84 s GLN 228 Cb -0.20 -3.58 0.03 0.00 1.00 0.00 0.00 33.01 30.26 1q84 s GLN 228 CO -0.06 -0.40 0.99 0.43 -2.12 0.00 0.00 175.29 174.13 1q84 n SER 229 N 4.99 -3.96 -3.64 5.90 7.64 -0.01 -1.25 113.62 123.29 1q84 n SER 229 Ca -0.14 -0.69 -0.02 0.00 1.01 0.00 0.00 58.87 59.03 1q84 n SER 229 Cb 0.49 -4.50 -0.03 0.00 -1.01 0.00 0.00 64.21 59.17 1q84 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1q84 s GLY 230 N -3.74 -0.13 0.08 0.23 0.00 -1.26 -2.94 107.32 99.55 1q84 s GLY 230 Ca 0.37 2.13 -0.16 0.00 0.00 0.00 0.00 44.72 47.05 1q84 s GLY 230 CO 0.78 0.75 0.38 -0.51 0.00 0.00 0.00 173.10 174.50 1q84 s THR 231 N -1.81 0.07 0.10 0.90 -4.23 -1.26 -4.35 115.64 105.06 1q84 s THR 231 Ca 0.11 -0.57 0.12 0.00 -1.18 0.00 0.00 61.69 60.17 1q84 s THR 231 Cb -0.01 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1q84 s THR 231 CO -0.04 -0.31 1.48 1.55 -0.54 0.00 0.00 174.62 176.75 1q84 h PRO 232 N 2.79 0.00 -7.58 3.99 0.13 -1.83 -3.40 132.00 126.10 1q84 h PRO 232 Ca -0.32 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.33 1q84 h PRO 232 Cb 1.22 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.45 1q84 h PRO 232 CO 0.46 0.68 0.40 0.54 -0.23 0.00 0.00 178.00 179.85 1q84 s ASN 233 N -6.63 4.55 0.00 1.44 4.22 -1.26 -4.56 114.94 112.70 1q84 s ASN 233 Ca 0.01 0.86 0.00 0.00 -2.14 0.00 0.00 52.86 51.59 1q84 s ASN 233 Cb 0.10 -1.41 0.00 0.00 1.28 0.00 0.00 41.25 41.22 1q84 s ASN 233 CO 0.76 -1.89 0.00 0.61 -2.04 0.00 0.00 177.10 174.55 1q84 n GLY 234 N -3.15 0.57 0.03 0.45 0.00 -1.26 -4.77 105.19 97.07 1q84 n GLY 234 Ca 0.08 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.08 1q84 n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q84 n PRO 235 N -0.03 0.11 0.00 1.61 -0.04 -1.26 -4.21 135.00 131.18 1q84 n PRO 235 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1q84 n PRO 235 Cb 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1q84 n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1q84 n TRP 236 N -1.78 0.00 0.32 0.54 4.27 -1.26 -4.81 117.44 114.72 1q84 n TRP 236 Ca 0.06 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.79 1q84 n TRP 236 Cb 0.38 0.00 0.17 0.00 -1.36 0.00 0.00 31.31 30.49 1q84 n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1q84 h ALA 237 N 0.00 0.80 -2.39 -1.67 0.00 -1.85 -3.44 119.26 110.71 1q84 h ALA 237 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1q84 h ALA 237 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1q84 h ALA 237 CO 0.00 0.00 -0.64 0.95 0.00 0.00 0.00 179.25 179.56 1q84 s THR 238 N -3.22 0.38 0.08 0.00 -4.23 -1.26 -3.75 115.64 103.64 1q84 s THR 238 Ca 0.06 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1q84 s THR 238 Cb 0.09 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1q84 s THR 238 CO 0.70 -0.26 -0.08 0.68 -0.54 0.00 0.00 174.62 175.11 1q84 s VAL 239 N -3.87 0.74 0.93 2.29 -7.23 -0.70 -4.98 120.40 107.57 1q84 s VAL 239 Ca 0.30 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1q84 s VAL 239 Cb 0.07 -1.31 0.15 0.00 0.56 0.00 0.00 36.38 35.85 1q84 s VAL 239 CO 0.07 -0.65 1.09 -0.94 -0.31 0.00 0.00 175.10 174.37 1q84 s SER 240 N -2.48 3.09 0.20 4.85 1.04 -1.26 -1.54 113.70 117.60 1q84 s SER 240 Ca 0.04 1.67 -0.09 0.00 0.48 0.00 0.00 55.95 58.05 1q84 s SER 240 Cb -0.01 -2.31 0.14 0.00 0.10 0.00 0.00 66.02 63.94 1q84 s SER 240 CO -0.02 -2.91 1.79 0.00 0.98 0.00 0.00 173.24 173.08 1q84 h ALA 241 N -1.73 0.97 -0.73 5.32 0.00 -1.96 -1.74 119.26 119.40 1q84 h ALA 241 Ca -0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1q84 h ALA 241 Cb 1.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1q84 h ALA 241 CO 0.51 0.55 0.35 0.78 0.00 0.00 0.00 179.25 181.44 1q84 h GLY 242 N 1.07 1.12 1.53 0.00 0.00 -1.93 -1.22 103.07 103.65 1q84 h GLY 242 Ca 0.26 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1q84 h GLY 242 CO -0.03 0.53 -0.63 -2.09 0.00 0.00 0.00 176.54 174.32 1q84 h GLU 243 N 1.02 0.48 -0.52 4.80 4.57 -1.87 -1.57 114.58 121.48 1q84 h GLU 243 Ca 0.25 -0.34 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 1q84 h GLU 243 Cb 0.12 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1q84 h GLU 243 CO -0.03 0.96 -0.15 0.00 -1.18 0.00 0.00 179.01 178.61 1q84 h ALA 244 N 0.96 0.74 -0.14 2.92 0.00 -1.17 -1.33 119.26 121.24 1q84 h ALA 244 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1q84 h ALA 244 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1q84 h ALA 244 CO 0.11 0.67 0.06 -0.09 0.00 0.00 0.00 179.25 180.00 1q84 h ARG 245 N 0.90 0.13 -0.90 0.00 2.43 -1.10 -0.70 114.38 115.14 1q84 h ARG 245 Ca 0.13 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1q84 h ARG 245 Cb 0.72 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 1q84 h ARG 245 CO 0.06 0.08 0.59 -0.09 -1.51 0.00 0.00 179.97 179.10 1q84 h ARG 246 N 0.13 1.14 -0.33 0.20 2.43 -1.07 -0.84 114.38 116.05 1q84 h ARG 246 Ca 0.06 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1q84 h ARG 246 Cb 0.03 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1q84 h ARG 246 CO -0.05 0.76 -0.45 0.00 -1.51 0.00 0.00 179.97 178.71 1q84 h ARG 247 N 1.18 0.88 -0.49 0.20 3.08 -1.03 -1.56 114.38 116.64 1q84 h ARG 247 Ca 0.34 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1q84 h ARG 247 Cb -0.08 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1q84 h ARG 247 CO -0.09 1.14 0.22 0.00 -1.07 0.00 0.00 179.97 180.17 1q84 h ALA 248 N 0.77 0.63 0.00 0.04 0.00 -0.75 -1.17 119.26 118.79 1q84 h ALA 248 Ca 0.04 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1q84 h ALA 248 Cb 1.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1q84 h ALA 248 CO 0.10 0.22 -0.74 0.00 0.00 0.00 0.00 179.25 178.83 1q84 h THR 249 N 0.65 1.35 -0.25 0.00 1.03 -1.15 -1.73 112.91 112.82 1q84 h THR 249 Ca 0.17 -2.70 -0.03 0.00 -0.01 0.00 0.00 66.41 63.83 1q84 h THR 249 Cb 0.16 2.53 -0.01 0.00 -1.07 0.00 0.00 68.15 69.76 1q84 h THR 249 CO -0.02 0.73 0.03 0.25 -0.01 0.00 0.00 175.52 176.50 1q84 h LEU 250 N 0.00 0.39 -0.56 0.00 5.85 -1.17 -1.84 115.31 117.98 1q84 h LEU 250 Ca -0.01 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1q84 h LEU 250 Cb 1.47 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1q84 h LEU 250 CO 0.10 0.56 0.32 0.25 -0.34 0.00 0.00 178.44 179.33 1q84 h LEU 251 N 0.21 0.49 -0.22 2.25 5.85 -1.15 -0.81 115.31 121.93 1q84 h LEU 251 Ca 0.07 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1q84 h LEU 251 Cb 0.34 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1q84 h LEU 251 CO 0.01 0.34 -0.13 0.00 -0.34 0.00 0.00 178.44 178.32 1q84 h ALA 252 N 1.27 0.04 -0.79 1.25 0.00 -1.21 -2.09 119.26 117.73 1q84 h ALA 252 Ca 0.24 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.36 1q84 h ALA 252 Cb 0.08 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1q84 h ALA 252 CO -0.13 -0.55 0.38 0.00 0.00 0.00 0.00 179.25 178.96 1q84 h ARG 253 N -0.11 0.56 0.00 0.00 3.08 -0.58 -0.28 114.38 117.05 1q84 h ARG 253 Ca 0.12 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1q84 h ARG 253 Cb 0.29 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1q84 h ARG 253 CO -0.29 0.37 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.81 1q84 h LEU 254 N 0.58 0.00 -2.99 3.04 3.38 -0.48 -2.31 115.31 116.53 1q84 h LEU 254 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1q84 h LEU 254 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1q84 h LEU 254 CO -0.34 0.11 0.00 1.33 0.09 0.00 0.00 178.44 179.63 1q84 n VAL 255 N -3.45 1.42 -0.98 1.22 0.24 -0.90 -4.96 118.33 110.91 1q84 n VAL 255 Ca -0.01 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 1q84 n VAL 255 Cb 0.27 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1q84 n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q84 n GLY 256 N 0.63 1.19 2.86 7.63 0.00 -0.87 -5.04 105.19 111.60 1q84 n GLY 256 Ca 0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1q84 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 n PRO 258 N 2.64 0.00 0.00 0.00 -0.01 -1.26 -3.49 135.00 132.87 1q84 n PRO 258 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.63 1q84 n PRO 258 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.84 1q84 n PRO 258 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1q84 n GLY 264 N 0.00 2.11 3.84 -1.23 0.00 -1.26 -4.86 105.19 103.79 1q84 n GLY 264 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1q84 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q84 s ASN 265 N 0.00 5.03 0.16 1.61 4.22 -1.26 -5.06 114.94 119.64 1q84 s ASN 265 Ca 0.00 -0.69 -0.11 0.00 -2.14 0.00 0.00 52.86 49.92 1q84 s ASN 265 Cb 0.00 -0.72 0.03 0.00 1.28 0.00 0.00 41.25 41.84 1q84 s ASN 265 CO 0.00 -0.50 1.61 0.44 -2.04 0.00 0.00 177.10 176.61 1q84 h ASP 266 N 1.20 0.94 -0.49 3.54 3.32 -2.00 -2.94 116.42 119.98 1q84 h ASP 266 Ca -0.43 -0.32 0.08 0.00 0.02 0.00 0.00 57.03 56.38 1q84 h ASP 266 Cb 1.26 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.49 1q84 h ASP 266 CO 0.59 1.03 0.11 0.74 -1.72 0.00 0.00 179.24 180.00 1q84 h THR 267 N 0.82 0.74 -0.46 0.35 2.02 -1.99 -1.33 112.91 113.07 1q84 h THR 267 Ca 0.15 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 1q84 h THR 267 Cb 0.57 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1q84 h THR 267 CO 0.03 0.05 -0.22 -0.08 0.37 0.00 0.00 175.52 175.67 1q84 h GLU 268 N 0.25 0.94 -0.42 6.66 4.81 -1.97 -1.22 114.58 123.64 1q84 h GLU 268 Ca 0.24 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1q84 h GLU 268 Cb 0.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1q84 h GLU 268 CO -0.31 1.06 -0.07 1.25 -0.73 0.00 0.00 179.01 180.22 1q84 h LEU 269 N 0.81 0.78 -0.24 1.64 6.46 -1.29 -2.49 115.31 120.98 1q84 h LEU 269 Ca 0.11 -0.35 -0.21 0.00 -0.12 0.00 0.00 57.88 57.31 1q84 h LEU 269 Cb 0.79 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1q84 h LEU 269 CO 0.07 0.94 -0.85 0.40 -0.62 0.00 0.00 178.44 178.38 1q84 h ILE 270 N 0.61 1.36 -0.88 4.05 2.04 -1.21 -1.63 117.51 121.86 1q84 h ILE 270 Ca 0.11 -2.24 -0.00 0.00 1.00 0.00 0.00 64.86 63.73 1q84 h ILE 270 Cb 0.58 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 1q84 h ILE 270 CO 0.03 0.68 0.55 0.00 0.00 0.00 0.00 178.15 179.41 1q84 h ALA 271 N 0.76 1.30 -0.29 1.87 0.00 -1.19 -0.51 119.26 121.20 1q84 h ALA 271 Ca -0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1q84 h ALA 271 Cb 1.46 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1q84 h ALA 271 CO 0.15 0.61 -0.53 0.00 0.00 0.00 0.00 179.25 179.49 1q84 h LEU 273 N 0.67 0.48 -1.35 0.00 3.38 -0.83 -1.99 115.31 115.66 1q84 h LEU 273 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1q84 h LEU 273 Cb 1.14 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1q84 h LEU 273 CO 0.12 0.35 -0.08 0.03 0.09 0.00 0.00 178.44 178.95 1q84 h ARG 274 N 0.57 0.00 0.00 1.13 3.08 -0.92 -2.05 114.38 116.19 1q84 h ARG 274 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1q84 h ARG 274 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1q84 h ARG 274 CO -0.04 0.08 0.00 0.25 -1.07 0.00 0.00 179.97 179.19 1q84 n THR 275 N -3.21 0.13 -2.86 2.04 -2.24 -0.75 -4.88 114.28 102.51 1q84 n THR 275 Ca 0.00 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 1q84 n THR 275 Cb 0.35 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1q84 n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1q84 s ARG 276 N -3.02 4.69 0.44 -0.78 1.81 -0.77 -5.02 118.95 116.30 1q84 s ARG 276 Ca 0.13 1.31 -0.26 0.00 -1.72 0.00 0.00 55.73 55.20 1q84 s ARG 276 Cb 0.18 -3.19 -0.09 0.00 -0.45 0.00 0.00 34.95 31.40 1q84 s ARG 276 CO 0.53 0.50 1.41 -2.30 -0.68 0.00 0.00 175.30 174.76 1q84 n PRO 277 N 1.36 2.22 -0.34 3.54 -0.02 -1.26 -4.89 135.00 135.62 1q84 n PRO 277 Ca -0.03 0.79 0.17 0.00 -2.02 0.00 0.00 63.50 62.41 1q84 n PRO 277 Cb 0.48 -2.59 0.39 0.00 -0.02 0.00 0.00 33.50 31.76 1q84 n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q84 h ALA 278 N 2.30 1.84 0.00 3.55 0.00 -1.96 -1.27 119.26 123.72 1q84 h ALA 278 Ca -0.50 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1q84 h ALA 278 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1q84 h ALA 278 CO 0.61 -0.26 -0.41 0.37 0.00 0.00 0.00 179.25 179.56 1q84 h GLN 279 N 0.61 0.00 -0.54 0.00 5.75 -2.00 -2.06 115.11 116.88 1q84 h GLN 279 Ca 0.60 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 59.13 1q84 h GLN 279 Cb 1.14 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.65 1q84 h GLN 279 CO -0.39 0.41 0.32 -0.44 -2.65 0.00 0.00 178.83 176.08 1q84 h ASP 280 N 0.00 0.51 -0.51 -0.69 3.32 -1.59 -1.15 116.42 116.31 1q84 h ASP 280 Ca -0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1q84 h ASP 280 Cb 0.81 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1q84 h ASP 280 CO 0.05 0.36 0.17 -0.07 -1.72 0.00 0.00 179.24 178.03 1q84 h LEU 281 N 0.63 0.74 -0.92 1.55 3.38 -1.38 -2.86 115.31 116.45 1q84 h LEU 281 Ca 0.22 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1q84 h LEU 281 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1q84 h LEU 281 CO -0.10 0.74 0.31 0.58 0.09 0.00 0.00 178.44 180.06 1q84 h VAL 282 N 0.69 1.25 0.00 1.22 2.07 -1.34 -2.31 116.25 117.84 1q84 h VAL 282 Ca 0.17 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1q84 h VAL 282 Cb 0.26 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1q84 h VAL 282 CO -0.01 0.31 0.00 0.44 0.02 0.00 0.00 177.57 178.33 1q84 h ASP 283 N 1.07 0.00 -0.00 0.57 3.32 -0.97 -3.11 116.42 117.30 1q84 h ASP 283 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1q84 h ASP 283 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1q84 h ASP 283 CO -0.02 0.00 -0.03 1.41 -1.72 0.00 0.00 179.24 178.88 1q84 n HIS 284 N -2.55 0.00 -0.23 4.55 8.25 -1.08 -4.77 115.22 119.39 1q84 n HIS 284 Ca -0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1q84 n HIS 284 Cb 0.16 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.42 1q84 n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1q84 h GLU 285 N 0.27 0.26 0.00 -0.41 4.81 -1.34 -1.32 114.58 116.86 1q84 h GLU 285 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1q84 h GLU 285 Cb 0.07 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1q84 h GLU 285 CO 0.00 0.17 0.00 0.91 -0.73 0.00 0.00 179.01 179.36 1q84 n TRP 286 N -5.14 0.73 1.77 0.92 7.02 -1.26 -3.42 117.44 118.06 1q84 n TRP 286 Ca 0.12 0.25 0.10 0.00 -1.02 0.00 0.00 57.50 56.95 1q84 n TRP 286 Cb 0.39 -0.91 0.52 0.00 -2.42 0.00 0.00 31.31 28.89 1q84 n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1q84 n HIS 287 N -2.14 0.06 0.59 -5.99 8.25 -0.50 -3.90 115.22 111.59 1q84 n HIS 287 Ca 0.04 -0.03 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1q84 n HIS 287 Cb 0.30 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.52 1q84 n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1q84 n VAL 288 N -0.46 0.18 -2.43 1.59 0.24 -1.22 -4.99 118.33 111.23 1q84 n VAL 288 Ca 0.15 -0.59 -0.39 0.00 -2.04 0.00 0.00 64.34 61.47 1q84 n VAL 288 Cb 0.15 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 1q84 n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1q84 s LEU 289 N -1.46 4.44 0.46 1.34 1.43 -1.25 -4.86 118.68 118.77 1q84 s LEU 289 Ca 0.25 2.28 0.25 0.00 -1.03 0.00 0.00 54.13 55.88 1q84 s LEU 289 Cb 0.16 -3.76 0.93 0.00 0.03 0.00 0.00 46.19 43.55 1q84 s LEU 289 CO 0.24 -0.29 1.82 1.55 0.23 0.00 0.00 176.35 179.90 1q84 h PRO 290 N 3.43 0.00 -4.75 1.29 0.13 -1.96 -3.45 132.00 126.69 1q84 h PRO 290 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 1q84 h PRO 290 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1q84 h PRO 290 CO 0.65 0.18 -0.62 -0.65 -0.23 0.00 0.00 178.00 177.34 1q84 s GLN 291 N -3.59 1.31 0.06 0.86 1.11 -1.26 -5.12 119.66 113.03 1q84 s GLN 291 Ca 0.01 -1.70 -0.31 0.00 0.01 0.00 0.00 55.36 53.38 1q84 s GLN 291 Cb 0.09 -0.02 -0.07 0.00 -1.01 0.00 0.00 33.01 32.01 1q84 s GLN 291 CO 0.63 -0.34 1.48 -2.00 0.01 0.00 0.00 175.29 175.07 1q84 s GLU 292 N -4.09 4.26 0.16 2.91 2.12 -1.26 -4.99 118.70 117.80 1q84 s GLU 292 Ca 0.38 2.13 -0.24 0.00 0.36 0.00 0.00 54.97 57.60 1q84 s GLU 292 Cb 0.07 -3.47 0.06 0.00 0.26 0.00 0.00 34.13 31.05 1q84 s GLU 292 CO 0.13 -0.59 0.70 -1.54 -0.54 0.00 0.00 175.26 173.42 1q84 s SER 293 N 1.80 -0.44 0.28 -1.70 1.04 -1.26 -4.62 113.70 108.80 1q84 s SER 293 Ca 0.67 -0.16 0.08 0.00 0.48 0.00 0.00 55.95 57.03 1q84 s SER 293 Cb -0.36 0.58 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 1q84 s SER 293 CO 0.29 -0.98 -0.10 0.27 0.98 0.00 0.00 173.24 173.70 1q84 s ILE 294 N -3.64 1.89 -1.45 -1.02 -4.36 -1.06 -4.76 121.20 106.80 1q84 s ILE 294 Ca 0.05 -2.19 -0.11 0.00 -0.26 0.00 0.00 60.65 58.14 1q84 s ILE 294 Cb -0.02 -2.40 0.07 0.00 1.25 0.00 0.00 42.46 41.36 1q84 s ILE 294 CO -0.07 -0.34 0.74 0.33 0.24 0.00 0.00 174.94 175.84 1q84 n PHE 295 N -0.60 -2.06 -4.49 1.37 -0.00 -1.26 -4.84 117.46 105.58 1q84 n PHE 295 Ca -0.06 0.68 -0.20 0.00 -0.00 0.00 0.00 57.45 57.87 1q84 n PHE 295 Cb 0.62 -3.70 -0.15 0.00 -0.00 0.00 0.00 39.48 36.26 1q84 n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1q84 s ARG 296 N -6.25 0.93 0.01 -4.13 1.81 -1.26 -4.70 118.95 105.36 1q84 s ARG 296 Ca 0.51 -0.46 0.04 0.00 -1.72 0.00 0.00 55.73 54.10 1q84 s ARG 296 Cb -0.26 -0.91 -0.01 0.00 -0.45 0.00 0.00 34.95 33.32 1q84 s ARG 296 CO 0.63 0.25 -0.12 -0.06 -0.68 0.00 0.00 175.30 175.31 1q84 s PHE 297 N -0.35 1.08 0.06 -0.53 0.08 -1.26 -5.07 117.98 111.98 1q84 s PHE 297 Ca 0.04 -0.26 -0.19 0.00 0.12 0.00 0.00 56.93 56.64 1q84 s PHE 297 Cb -0.05 -0.67 -0.12 0.00 -0.57 0.00 0.00 43.02 41.60 1q84 s PHE 297 CO -0.00 -0.00 1.39 0.77 -0.10 0.00 0.00 175.22 177.28 1q84 h SER 298 N 5.49 0.43 -3.66 1.36 0.02 -1.89 -3.41 113.55 111.89 1q84 h SER 298 Ca -0.34 -0.44 -0.65 0.00 -0.84 0.00 0.00 61.79 59.52 1q84 h SER 298 Cb 1.17 -0.12 -0.39 0.00 0.14 0.00 0.00 62.40 63.20 1q84 h SER 298 CO 0.47 0.78 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.83 1q84 s PHE 299 N -4.46 3.20 0.33 3.45 0.08 -1.26 -5.02 117.98 114.30 1q84 s PHE 299 Ca -0.14 -2.52 0.03 0.00 0.12 0.00 0.00 56.93 54.43 1q84 s PHE 299 Cb 0.06 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.11 1q84 s PHE 299 CO 0.76 -0.90 0.10 0.14 -0.10 0.00 0.00 175.22 175.22 1q84 s VAL 300 N 1.11 0.78 0.20 -0.44 -7.23 -1.26 -4.48 120.40 109.08 1q84 s VAL 300 Ca 0.04 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 1q84 s VAL 300 Cb -0.19 -2.61 -0.16 0.00 0.56 0.00 0.00 36.38 33.98 1q84 s VAL 300 CO -0.09 0.00 0.95 -2.65 -0.31 0.00 0.00 175.10 173.00 1q84 n PRO 301 N -0.68 0.84 -4.26 4.82 -0.02 -1.25 -4.73 135.00 129.74 1q84 n PRO 301 Ca -0.02 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1q84 n PRO 301 Cb 0.66 -1.63 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 1q84 n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1q84 s VAL 302 N -0.65 4.19 -1.02 -1.45 0.11 -1.26 -1.73 120.40 118.60 1q84 s VAL 302 Ca 0.68 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.89 1q84 s VAL 302 Cb -0.86 -2.88 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 1q84 s VAL 302 CO 0.56 0.36 1.43 -0.69 -3.33 0.00 0.00 175.10 173.43 1q84 s VAL 303 N -1.11 3.99 -0.89 2.04 1.01 -0.59 -4.62 120.40 120.23 1q84 s VAL 303 Ca 0.20 -0.86 0.24 0.00 0.00 0.00 0.00 61.98 61.56 1q84 s VAL 303 Cb -0.12 -5.04 -0.07 0.00 0.00 0.00 0.00 36.38 31.16 1q84 s VAL 303 CO 0.11 -1.91 1.22 -0.90 0.00 0.00 0.00 175.10 173.62 1q84 n ASP 304 N 8.68 0.64 -0.10 3.32 5.75 -1.24 -3.88 116.55 129.72 1q84 n ASP 304 Ca 0.33 -0.37 -0.01 0.00 -0.01 0.00 0.00 54.79 54.72 1q84 n ASP 304 Cb 0.51 0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 41.11 1q84 n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q84 n GLY 305 N 1.46 0.49 0.00 6.12 0.00 -0.44 -4.90 105.19 107.92 1q84 n GLY 305 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1q84 n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q84 n ASP 306 N 0.24 0.00 -0.03 1.61 2.03 -1.26 -4.57 116.55 114.57 1q84 n ASP 306 Ca -0.01 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.21 1q84 n ASP 306 Cb 0.12 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 1q84 n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q84 h PHE 307 N 0.00 -0.16 -3.48 -0.67 3.04 -1.92 -3.33 116.94 110.42 1q84 h PHE 307 Ca 0.00 0.02 -0.71 0.00 3.98 0.00 0.00 57.97 61.26 1q84 h PHE 307 Cb 0.00 0.10 -0.29 0.00 2.56 0.00 0.00 35.95 38.32 1q84 h PHE 307 CO 0.00 -0.11 -0.49 -0.51 -2.02 0.00 0.00 178.31 175.17 1q84 s LEU 308 N -10.40 5.08 0.36 0.59 1.43 -1.26 -4.55 118.68 109.93 1q84 s LEU 308 Ca -0.14 -1.57 0.27 0.00 -1.03 0.00 0.00 54.13 51.66 1q84 s LEU 308 Cb 0.10 -1.95 1.20 0.00 0.03 0.00 0.00 46.19 45.58 1q84 s LEU 308 CO 0.68 -0.52 1.80 0.77 0.23 0.00 0.00 176.35 179.31 1q84 h SER 309 N 8.33 0.00 -5.16 2.29 4.64 -1.81 -1.15 113.55 120.69 1q84 h SER 309 Ca -0.21 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.16 1q84 h SER 309 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1q84 h SER 309 CO 0.73 0.00 0.39 -0.62 -0.87 0.00 0.00 176.83 176.46 1q84 s ASP 310 N -4.56 -0.00 0.60 4.97 -1.08 -1.26 -4.56 116.67 110.77 1q84 s ASP 310 Ca 0.02 -0.96 -0.20 0.00 -0.52 0.00 0.00 52.55 50.89 1q84 s ASP 310 Cb 0.09 0.72 -0.03 0.00 -1.46 0.00 0.00 42.92 42.24 1q84 s ASP 310 CO 0.39 -1.42 1.30 0.42 0.52 0.00 0.00 175.17 176.37 1q84 s THR 311 N -2.30 2.19 0.40 1.71 -4.23 -1.26 -4.81 115.64 107.33 1q84 s THR 311 Ca 0.18 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 60.95 1q84 s THR 311 Cb -0.04 -3.06 0.35 0.00 1.34 0.00 0.00 72.50 71.10 1q84 s THR 311 CO 0.09 -0.02 1.87 -0.65 -0.54 0.00 0.00 174.62 175.37 1q84 h PRO 312 N 0.97 0.50 -0.35 3.99 0.11 -1.98 -1.63 132.00 133.61 1q84 h PRO 312 Ca -0.51 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.58 1q84 h PRO 312 Cb 1.31 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1q84 h PRO 312 CO 0.55 0.33 0.21 1.49 -0.21 0.00 0.00 178.00 180.37 1q84 h GLU 313 N 0.51 0.42 -0.65 1.05 4.81 -1.89 -1.14 114.58 117.69 1q84 h GLU 313 Ca 0.45 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1q84 h GLU 313 Cb 0.96 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1q84 h GLU 313 CO -0.18 0.28 0.23 0.00 -0.73 0.00 0.00 179.01 178.61 1q84 h ALA 314 N 1.15 1.20 0.05 2.92 0.00 -1.67 -2.57 119.26 120.33 1q84 h ALA 314 Ca 0.14 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1q84 h ALA 314 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1q84 h ALA 314 CO -0.06 0.58 -1.03 -0.07 0.00 0.00 0.00 179.25 178.66 1q84 h LEU 315 N 0.94 0.41 -0.55 0.00 3.38 -0.94 -2.47 115.31 116.09 1q84 h LEU 315 Ca 0.22 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1q84 h LEU 315 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1q84 h LEU 315 CO -0.01 1.21 -0.55 0.16 0.09 0.00 0.00 178.44 179.34 1q84 h ILE 316 N 0.14 1.13 -0.01 1.22 3.07 -1.23 -0.17 117.51 121.65 1q84 h ILE 316 Ca -0.09 -2.10 -0.16 0.00 1.55 0.00 0.00 64.86 64.06 1q84 h ILE 316 Cb 1.70 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 40.47 1q84 h ILE 316 CO 0.17 0.54 -0.73 0.78 -1.05 0.00 0.00 178.15 177.86 1q84 h ASN 317 N 0.00 0.11 -0.07 2.16 2.35 -1.36 -3.35 115.58 115.43 1q84 h ASN 317 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1q84 h ASN 317 Cb 1.19 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1q84 h ASN 317 CO 0.07 0.81 0.00 0.35 -1.65 0.00 0.00 177.43 177.01 1q84 n THR 318 N -3.72 0.36 -2.18 2.81 -2.24 -0.94 -5.04 114.28 103.33 1q84 n THR 318 Ca -0.02 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1q84 n THR 318 Cb 0.71 0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1q84 n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1q84 s GLY 319 N -0.69 2.27 -0.32 3.38 0.00 -0.08 -5.03 107.32 106.86 1q84 s GLY 319 Ca 0.09 0.49 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 1q84 s GLY 319 CO 0.08 0.82 0.17 -0.35 0.00 0.00 0.00 173.10 173.81 1q84 s ASP 320 N -2.48 5.61 -0.28 1.64 2.15 -1.26 -4.90 116.67 117.15 1q84 s ASP 320 Ca 0.65 -0.61 0.08 0.00 0.43 0.00 0.00 52.55 53.11 1q84 s ASP 320 Cb -0.17 -2.01 0.45 0.00 -0.30 0.00 0.00 42.92 40.89 1q84 s ASP 320 CO 0.32 -0.23 1.27 0.49 -0.17 0.00 0.00 175.17 176.85 1q84 n PHE 321 N 4.99 1.58 -0.34 -5.34 3.72 -0.80 -4.84 117.46 116.43 1q84 n PHE 321 Ca -0.13 -1.93 -0.03 0.00 -0.05 0.00 0.00 57.45 55.31 1q84 n PHE 321 Cb 0.49 -0.38 0.09 0.00 -0.94 0.00 0.00 39.48 38.74 1q84 n PHE 321 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1q84 h GLN 322 N 1.61 1.24 -0.79 -1.08 5.75 -1.73 -2.66 115.11 117.46 1q84 h GLN 322 Ca 0.23 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1q84 h GLN 322 Cb 1.33 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 29.56 1q84 h GLN 322 CO 0.48 0.85 0.11 -0.40 -2.65 0.00 0.00 178.83 177.23 1q84 n ASP 323 N -4.40 4.08 -4.21 -0.69 5.68 -1.26 -4.60 116.55 111.15 1q84 n ASP 323 Ca 0.10 -2.75 -0.32 0.00 -0.50 0.00 0.00 54.79 51.32 1q84 n ASP 323 Cb 0.04 -0.65 -0.17 0.00 -1.14 0.00 0.00 41.12 39.20 1q84 n ASP 323 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1q84 s LEU 324 N -1.98 2.10 -0.17 -2.12 2.96 -1.13 -5.02 118.68 113.32 1q84 s LEU 324 Ca 0.38 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1q84 s LEU 324 Cb 0.30 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 1q84 s LEU 324 CO 0.10 0.14 -0.09 -1.10 -1.32 0.00 0.00 176.35 174.08 1q84 s GLN 325 N 0.46 3.42 0.03 1.98 1.11 -1.26 -1.55 119.66 123.86 1q84 s GLN 325 Ca -0.16 -0.64 0.04 0.00 0.01 0.00 0.00 55.36 54.61 1q84 s GLN 325 Cb -0.17 -2.80 -0.02 0.00 -1.01 0.00 0.00 33.01 29.01 1q84 s GLN 325 CO 0.06 0.07 -0.12 0.14 0.01 0.00 0.00 175.29 175.45 1q84 s VAL 326 N 0.75 0.94 -0.11 1.09 -7.23 -0.29 -2.42 120.40 113.13 1q84 s VAL 326 Ca -0.04 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1q84 s VAL 326 Cb -0.15 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1q84 s VAL 326 CO 0.02 -0.01 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.40 1q84 s LEU 327 N -1.01 2.47 0.04 1.32 2.96 -0.39 -1.11 118.68 122.96 1q84 s LEU 327 Ca 0.00 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1q84 s LEU 327 Cb -0.07 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1q84 s LEU 327 CO 0.01 0.18 -0.05 0.68 -1.32 0.00 0.00 176.35 175.85 1q84 s VAL 328 N 0.27 0.32 -0.00 1.68 -7.23 0.12 -0.95 120.40 114.61 1q84 s VAL 328 Ca -0.13 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1q84 s VAL 328 Cb -0.16 -0.78 0.01 0.00 0.56 0.00 0.00 36.38 36.01 1q84 s VAL 328 CO 0.07 -0.62 0.20 0.61 -0.31 0.00 0.00 175.10 175.05 1q84 n GLY 329 N 1.06 0.59 3.20 2.32 0.00 -1.03 -1.14 105.19 110.20 1q84 n GLY 329 Ca -0.20 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1q84 n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q84 s VAL 330 N -2.15 0.13 0.39 1.61 -7.23 -0.98 -0.83 120.40 111.34 1q84 s VAL 330 Ca 0.05 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1q84 s VAL 330 Cb -0.00 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1q84 s VAL 330 CO -0.00 -0.59 0.56 0.68 -0.31 0.00 0.00 175.10 175.43 1q84 s VAL 331 N -3.94 3.97 0.40 1.32 -7.23 -1.26 -0.14 120.40 113.52 1q84 s VAL 331 Ca 0.12 -0.81 0.13 0.00 -1.81 0.00 0.00 61.98 59.61 1q84 s VAL 331 Cb 0.06 -3.41 0.14 0.00 0.56 0.00 0.00 36.38 33.73 1q84 s VAL 331 CO -0.05 -0.21 1.91 0.50 -0.31 0.00 0.00 175.10 176.93 1q84 h LYS 332 N 0.68 0.05 -2.10 4.82 3.64 -1.43 -3.32 116.57 118.92 1q84 h LYS 332 Ca -0.46 -0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 58.36 1q84 h LYS 332 Cb 1.26 -0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.67 1q84 h LYS 332 CO 0.54 0.30 -0.94 -0.25 -2.27 0.00 0.00 179.45 176.84 1q84 n ASP 333 N -4.22 1.95 -0.30 4.20 9.92 -0.87 -4.92 116.55 122.30 1q84 n ASP 333 Ca -0.02 -3.14 0.06 0.00 -0.53 0.00 0.00 54.79 51.17 1q84 n ASP 333 Cb 0.32 -0.62 0.27 0.00 -0.64 0.00 0.00 41.12 40.44 1q84 n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1q84 h GLU 334 N 3.54 0.92 0.00 -1.24 4.39 -1.76 -2.96 114.58 117.47 1q84 h GLU 334 Ca 0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1q84 h GLU 334 Cb 0.79 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1q84 h GLU 334 CO 0.62 0.61 -0.52 0.78 -1.16 0.00 0.00 179.01 179.33 1q84 h GLY 335 N 0.95 0.00 0.55 -3.84 0.00 -1.85 -3.37 103.07 95.50 1q84 h GLY 335 Ca 0.41 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.80 1q84 h GLY 335 CO -0.17 0.00 0.08 1.48 0.00 0.00 0.00 176.54 177.92 1q84 h SER 336 N 0.00 0.02 0.58 0.19 4.64 -1.72 -2.88 113.55 114.37 1q84 h SER 336 Ca 0.00 0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1q84 h SER 336 Cb 0.85 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1q84 h SER 336 CO 0.00 0.05 -0.71 0.10 -0.87 0.00 0.00 176.83 175.39 1q84 h TYR 337 N 0.20 0.15 -0.28 4.77 -0.00 -1.82 -2.85 116.97 117.15 1q84 h TYR 337 Ca 0.18 -0.07 0.08 0.00 0.00 0.00 0.00 58.73 58.92 1q84 h TYR 337 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 36.90 1q84 h TYR 337 CO -0.19 0.78 0.21 0.74 -0.00 0.00 0.00 178.16 179.70 1q84 h PHE 338 N 0.07 0.00 -0.20 0.10 -1.00 -1.81 -2.60 116.94 111.50 1q84 h PHE 338 Ca -0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1q84 h PHE 338 Cb 1.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.81 1q84 h PHE 338 CO 0.01 0.00 0.03 -0.07 -1.61 0.00 0.00 178.31 176.68 1q84 h LEU 339 N 0.00 0.26 0.00 1.54 3.38 -1.57 -1.88 115.31 117.04 1q84 h LEU 339 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1q84 h LEU 339 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1q84 h LEU 339 CO -0.00 0.28 -0.06 1.33 0.09 0.00 0.00 178.44 180.08 1q84 n VAL 340 N -4.40 0.18 0.00 1.22 0.24 -0.98 -1.70 118.33 112.89 1q84 n VAL 340 Ca 0.00 -0.09 -0.02 0.00 -2.04 0.00 0.00 64.34 62.19 1q84 n VAL 340 Cb 0.16 -0.45 0.16 0.00 -1.47 0.00 0.00 33.84 32.23 1q84 n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1q84 n TYR 341 N -1.73 1.22 0.00 6.34 4.02 -0.71 -4.74 117.16 121.56 1q84 n TYR 341 Ca 0.06 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.28 1q84 n TYR 341 Cb 0.37 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 1q84 n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q84 n GLY 342 N 0.07 -0.36 3.59 2.72 0.00 -1.21 -4.97 105.19 105.03 1q84 n GLY 342 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1q84 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q84 s VAL 343 N 0.00 5.18 0.29 1.61 1.01 -0.69 -4.97 120.40 122.84 1q84 s VAL 343 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1q84 s VAL 343 Cb 0.00 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 1q84 s VAL 343 CO 0.00 0.10 1.54 -2.65 0.00 0.00 0.00 175.10 174.09 1q84 n PRO 344 N 5.33 2.56 0.00 2.72 -0.02 -1.26 -2.61 135.00 141.71 1q84 n PRO 344 Ca -0.09 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1q84 n PRO 344 Cb 0.51 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1q84 n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q84 n GLY 345 N 1.93 1.16 3.62 -1.23 0.00 -1.26 -4.93 105.19 104.47 1q84 n GLY 345 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1q84 n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q84 s PHE 346 N -2.17 3.14 0.03 1.61 0.40 -1.07 -4.59 117.98 115.33 1q84 s PHE 346 Ca 0.00 0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.22 1q84 s PHE 346 Cb 0.00 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1q84 s PHE 346 CO 0.00 0.25 0.30 0.45 0.70 0.00 0.00 175.22 176.93 1q84 s SER 347 N -0.25 -0.13 0.46 1.36 0.15 -1.26 -4.64 113.70 109.39 1q84 s SER 347 Ca 0.06 -0.14 0.27 0.00 0.70 0.00 0.00 55.95 56.84 1q84 s SER 347 Cb -0.12 0.35 0.75 0.00 -1.71 0.00 0.00 66.02 65.28 1q84 s SER 347 CO 0.02 -0.58 1.75 0.07 1.20 0.00 0.00 173.24 175.70 1q84 h LYS 348 N 3.35 0.00 -0.05 5.44 2.10 -1.99 -3.34 116.57 122.08 1q84 h LYS 348 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1q84 h LYS 348 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1q84 h LYS 348 CO 0.45 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.65 1q84 n ASP 349 N -3.02 2.30 -2.88 7.07 8.00 -1.26 -4.44 116.55 122.31 1q84 n ASP 349 Ca 0.03 -1.77 -0.16 0.00 0.71 0.00 0.00 54.79 53.60 1q84 n ASP 349 Cb 0.44 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 1q84 n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1q84 n ASN 350 N 0.79 -0.74 0.00 -2.24 0.23 -1.25 -5.06 115.26 106.98 1q84 n ASN 350 Ca 0.17 -2.83 0.13 0.00 -0.53 0.00 0.00 54.58 51.51 1q84 n ASN 350 Cb 0.48 1.62 0.62 0.00 -2.08 0.00 0.00 39.78 40.41 1q84 n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1q84 n GLU 351 N -0.54 0.17 -3.45 -3.83 -0.58 -1.26 -4.75 120.64 106.40 1q84 n GLU 351 Ca 0.05 0.04 -0.25 0.00 -0.42 0.00 0.00 57.16 56.58 1q84 n GLU 351 Cb 0.52 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.92 1q84 n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1q84 n SER 352 N -1.41 -5.32 -4.68 1.62 7.64 -1.26 -4.92 113.62 105.29 1q84 n SER 352 Ca 0.09 -0.49 -0.42 0.00 1.01 0.00 0.00 58.87 59.06 1q84 n SER 352 Cb 0.27 -4.28 -0.03 0.00 -1.01 0.00 0.00 64.21 59.17 1q84 n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q84 s LEU 353 N -6.93 4.28 0.28 -3.43 1.43 -1.26 -4.70 118.68 108.35 1q84 s LEU 353 Ca 0.48 2.01 0.11 0.00 -1.03 0.00 0.00 54.13 55.70 1q84 s LEU 353 Cb -0.23 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1q84 s LEU 353 CO 0.59 -0.76 -0.14 0.27 0.23 0.00 0.00 176.35 176.54 1q84 s ILE 354 N 2.99 2.68 0.60 -0.59 -4.36 -1.22 -5.02 121.20 116.29 1q84 s ILE 354 Ca 0.63 -2.27 -0.07 0.00 -0.26 0.00 0.00 60.65 58.68 1q84 s ILE 354 Cb -0.29 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 40.96 1q84 s ILE 354 CO 0.24 -0.37 0.93 -0.94 0.24 0.00 0.00 174.94 175.03 1q84 s SER 355 N -3.56 5.62 0.23 4.36 1.04 -1.26 -4.18 113.70 115.95 1q84 s SER 355 Ca 0.31 0.81 -0.06 0.00 0.48 0.00 0.00 55.95 57.48 1q84 s SER 355 Cb -0.05 -1.79 0.33 0.00 0.10 0.00 0.00 66.02 64.62 1q84 s SER 355 CO 0.16 -1.07 1.81 -0.09 0.98 0.00 0.00 173.24 175.03 1q84 h ARG 356 N -0.23 0.74 -0.86 4.02 2.43 -1.90 -0.60 114.38 117.98 1q84 h ARG 356 Ca -0.45 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1q84 h ARG 356 Cb 1.25 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1q84 h ARG 356 CO 0.61 0.49 0.45 0.00 -1.51 0.00 0.00 179.97 180.02 1q84 h ALA 357 N 1.41 1.11 -0.09 2.80 0.00 -1.99 -1.08 119.26 121.41 1q84 h ALA 357 Ca 0.36 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1q84 h ALA 357 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1q84 h ALA 357 CO -0.22 0.63 -0.36 1.96 0.00 0.00 0.00 179.25 181.27 1q84 h GLN 358 N 1.21 0.19 -0.23 0.00 4.20 -1.76 -2.06 115.11 116.65 1q84 h GLN 358 Ca 0.30 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1q84 h GLN 358 Cb 0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1q84 h GLN 358 CO -0.04 0.53 -0.03 0.35 -0.67 0.00 0.00 178.83 178.97 1q84 h PHE 359 N 0.16 0.48 -0.71 2.96 3.04 -0.43 0.32 116.94 122.76 1q84 h PHE 359 Ca 0.02 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1q84 h PHE 359 Cb 0.72 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 1q84 h PHE 359 CO 0.01 0.63 0.39 -0.07 -2.02 0.00 0.00 178.31 177.25 1q84 h LEU 360 N 0.19 0.88 -0.46 0.59 3.38 -1.01 -1.83 115.31 117.05 1q84 h LEU 360 Ca 0.06 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1q84 h LEU 360 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1q84 h LEU 360 CO 0.02 0.71 -0.68 0.00 0.09 0.00 0.00 178.44 178.58 1q84 h ALA 361 N 1.43 0.65 -0.46 1.53 0.00 -1.32 -3.01 119.26 118.08 1q84 h ALA 361 Ca 0.25 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1q84 h ALA 361 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1q84 h ALA 361 CO -0.04 0.75 0.11 0.78 0.00 0.00 0.00 179.25 180.85 1q84 h GLY 362 N 1.28 0.74 1.46 0.00 0.00 -0.55 -2.97 103.07 103.02 1q84 h GLY 362 Ca -0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1q84 h GLY 362 CO 0.12 0.38 -0.44 -2.08 0.00 0.00 0.00 176.54 174.52 1q84 h VAL 363 N 0.67 1.30 -0.34 4.60 2.07 -1.22 0.99 116.25 124.33 1q84 h VAL 363 Ca 0.15 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1q84 h VAL 363 Cb 0.25 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1q84 h VAL 363 CO -0.00 0.51 0.04 0.03 0.02 0.00 0.00 177.57 178.17 1q84 h ARG 364 N 0.48 0.51 0.23 1.57 2.47 -1.42 0.40 114.38 118.62 1q84 h ARG 364 Ca 0.03 -0.09 -0.33 0.00 -1.26 0.00 0.00 59.98 58.33 1q84 h ARG 364 Cb 0.95 -0.08 0.03 0.00 -1.65 0.00 0.00 29.97 29.23 1q84 h ARG 364 CO 0.09 0.51 -1.47 0.82 0.56 0.00 0.00 179.97 180.47 1q84 h ILE 365 N 0.50 1.29 0.00 2.04 2.04 -1.34 -3.09 117.51 118.95 1q84 h ILE 365 Ca 0.11 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1q84 h ILE 365 Cb 0.26 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1q84 h ILE 365 CO 0.00 0.83 0.00 1.23 0.00 0.00 0.00 178.15 180.21 1q84 h GLY 366 N 0.41 0.00 -5.80 5.37 0.00 -0.72 -2.80 103.07 99.53 1q84 h GLY 366 Ca -0.25 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.55 1q84 h GLY 366 CO 0.26 0.00 -0.98 -0.62 0.00 0.00 0.00 176.54 175.20 1q84 n VAL 367 N -2.74 0.93 0.28 4.60 0.31 0.12 -4.86 118.33 116.97 1q84 n VAL 367 Ca 0.04 -4.87 0.15 0.00 -0.01 0.00 0.00 64.34 59.65 1q84 n VAL 367 Cb 0.46 -0.92 0.81 0.00 -0.91 0.00 0.00 33.84 33.28 1q84 n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1q84 h PRO 368 N 3.18 0.00 -0.00 5.55 0.13 -1.64 -1.78 132.00 137.44 1q84 h PRO 368 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1q84 h PRO 368 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1q84 h PRO 368 CO 0.62 0.08 -0.12 1.04 -0.23 0.00 0.00 178.00 179.38 1q84 n GLN 369 N -3.45 0.69 -3.02 0.86 3.00 -1.26 -4.91 117.38 109.28 1q84 n GLN 369 Ca -0.02 -0.25 -0.39 0.00 -0.01 0.00 0.00 57.00 56.33 1q84 n GLN 369 Cb 0.22 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1q84 n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q84 s ALA 370 N -2.48 3.43 1.31 -1.58 0.00 -0.67 -5.07 121.76 116.70 1q84 s ALA 370 Ca 0.28 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1q84 s ALA 370 Cb 0.20 -2.93 0.31 0.00 0.00 0.00 0.00 23.12 20.70 1q84 s ALA 370 CO 0.48 0.19 0.92 -1.13 0.00 0.00 0.00 175.76 176.22 1q84 n SER 371 N 2.24 -2.76 -0.06 0.00 3.41 -1.26 -4.74 113.62 110.45 1q84 n SER 371 Ca -0.05 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.45 1q84 n SER 371 Cb 0.50 -0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 1q84 n SER 371 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1q84 h ASP 372 N -2.93 0.32 -0.35 4.04 5.19 -1.99 -2.24 116.42 118.46 1q84 h ASP 372 Ca -0.37 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 1q84 h ASP 372 Cb 1.17 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1q84 h ASP 372 CO 0.23 0.52 0.22 0.25 -3.12 0.00 0.00 179.24 177.35 1q84 h LEU 373 N 0.11 0.41 -1.06 1.55 5.85 -1.98 -1.62 115.31 118.58 1q84 h LEU 373 Ca 0.06 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1q84 h LEU 373 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1q84 h LEU 373 CO 0.01 0.32 0.01 0.00 -0.34 0.00 0.00 178.44 178.44 1q84 h ALA 374 N 1.11 1.22 0.00 1.25 0.00 -1.87 -1.11 119.26 119.86 1q84 h ALA 374 Ca 0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1q84 h ALA 374 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1q84 h ALA 374 CO -0.03 0.52 -0.61 0.00 0.00 0.00 0.00 179.25 179.13 1q84 h ALA 375 N 1.37 0.89 -0.02 0.00 0.00 -1.18 -1.78 119.26 118.55 1q84 h ALA 375 Ca 0.13 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1q84 h ALA 375 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1q84 h ALA 375 CO 0.01 0.76 -0.86 1.49 0.00 0.00 0.00 179.25 180.66 1q84 h GLU 376 N 0.00 0.33 -0.61 0.00 4.57 -0.88 -1.59 114.58 116.40 1q84 h GLU 376 Ca -0.01 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1q84 h GLU 376 Cb 1.15 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 1q84 h GLU 376 CO 0.08 1.01 0.40 0.00 -1.18 0.00 0.00 179.01 179.32 1q84 h ALA 377 N 0.88 0.78 -0.15 2.92 0.00 -0.94 -0.01 119.26 122.74 1q84 h ALA 377 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1q84 h ALA 377 Cb 1.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1q84 h ALA 377 CO 0.14 0.22 0.07 0.28 0.00 0.00 0.00 179.25 179.97 1q84 h VAL 378 N 0.83 1.11 -0.40 0.00 2.07 -1.21 -0.74 116.25 117.90 1q84 h VAL 378 Ca 0.22 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1q84 h VAL 378 Cb -0.08 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1q84 h VAL 378 CO -0.05 0.10 0.24 0.58 0.02 0.00 0.00 177.57 178.46 1q84 h VAL 379 N 0.12 1.13 -0.23 2.57 2.07 -1.05 -1.54 116.25 119.32 1q84 h VAL 379 Ca 0.05 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1q84 h VAL 379 Cb 0.10 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1q84 h VAL 379 CO -0.01 0.13 -0.19 -0.07 0.02 0.00 0.00 177.57 177.46 1q84 h LEU 380 N 0.52 0.39 -0.50 2.57 3.38 -0.83 -0.87 115.31 119.98 1q84 h LEU 380 Ca 0.14 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1q84 h LEU 380 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1q84 h LEU 380 CO -0.03 0.60 -0.57 -0.74 0.09 0.00 0.00 178.44 177.79 1q84 h HIS 381 N 0.37 0.68 0.00 1.13 2.76 -0.63 -3.32 115.15 116.14 1q84 h HIS 381 Ca 0.06 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1q84 h HIS 381 Cb 0.54 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1q84 h HIS 381 CO 0.01 0.98 -1.16 0.66 -1.30 0.00 0.00 177.93 177.13 1q84 n TYR 382 N -3.94 0.07 -2.08 5.26 4.02 -0.63 -4.88 117.16 114.99 1q84 n TYR 382 Ca -0.03 0.02 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 1q84 n TYR 382 Cb 0.62 -0.24 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1q84 n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1q84 s THR 383 N -3.15 2.80 -0.41 -0.72 2.01 -0.35 -4.91 115.64 110.92 1q84 s THR 383 Ca 0.04 0.69 -0.22 0.00 0.31 0.00 0.00 61.69 62.51 1q84 s THR 383 Cb 0.15 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.24 1q84 s THR 383 CO 0.85 0.12 0.74 -0.62 -0.69 0.00 0.00 174.62 175.01 1q84 s ASP 384 N 0.22 6.43 0.00 3.53 -1.08 -1.26 -4.95 116.67 119.56 1q84 s ASP 384 Ca 0.57 -0.00 0.29 0.00 -0.52 0.00 0.00 52.55 52.89 1q84 s ASP 384 Cb -0.40 -2.37 1.32 0.00 -1.46 0.00 0.00 42.92 40.01 1q84 s ASP 384 CO 0.44 -0.80 1.96 0.79 0.52 0.00 0.00 175.17 178.08 1q84 n TRP 385 N 6.46 0.00 0.09 -5.34 7.02 -1.26 -1.22 117.44 123.19 1q84 n TRP 385 Ca 0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.42 1q84 n TRP 385 Cb 0.48 -0.44 0.02 0.00 -2.42 0.00 0.00 31.31 28.95 1q84 n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1q84 h LEU 386 N 0.00 0.24 -5.74 -0.99 3.38 -2.04 -3.39 115.31 106.77 1q84 h LEU 386 Ca 0.00 -0.19 -0.50 0.00 0.09 0.00 0.00 57.88 57.28 1q84 h LEU 386 Cb 0.44 -0.07 -0.41 0.00 0.09 0.00 0.00 40.66 40.71 1q84 h LEU 386 CO 0.00 0.96 -1.06 1.41 0.09 0.00 0.00 178.44 179.84 1q84 n HIS 387 N -3.69 1.21 0.15 1.13 8.25 -0.78 -4.98 115.22 116.50 1q84 n HIS 387 Ca -0.03 -3.79 0.07 0.00 -0.26 0.00 0.00 57.72 53.72 1q84 n HIS 387 Cb 0.77 -0.43 0.38 0.00 1.12 0.00 0.00 29.99 31.83 1q84 n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1q84 n PRO 388 N 0.12 0.09 0.00 -0.41 -0.04 -0.36 -2.24 135.00 132.17 1q84 n PRO 388 Ca 0.26 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1q84 n PRO 388 Cb 0.61 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1q84 n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1q84 n GLU 389 N -1.98 0.41 -1.95 0.54 1.02 -1.26 -4.88 120.64 112.54 1q84 n GLU 389 Ca -0.00 -0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 55.95 1q84 n GLU 389 Cb 0.05 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 1q84 n GLU 389 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q84 s ASP 390 N -0.31 6.63 0.37 1.62 2.15 -0.95 -4.79 116.67 121.39 1q84 s ASP 390 Ca 0.00 2.31 0.17 0.00 0.43 0.00 0.00 52.55 55.46 1q84 s ASP 390 Cb 0.00 -2.53 0.73 0.00 -0.30 0.00 0.00 42.92 40.82 1q84 s ASP 390 CO 0.00 -0.94 1.78 1.55 -0.17 0.00 0.00 175.17 177.39 1q84 h PRO 391 N 9.63 0.00 -0.33 4.34 0.13 -1.92 -1.69 132.00 142.16 1q84 h PRO 391 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1q84 h PRO 391 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1q84 h PRO 391 CO 0.95 0.38 0.07 1.15 -0.23 0.00 0.00 178.00 180.32 1q84 h THR 392 N 0.00 1.23 -0.46 1.56 2.02 -1.90 -2.13 112.91 113.23 1q84 h THR 392 Ca -0.00 -0.78 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1q84 h THR 392 Cb 0.79 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1q84 h THR 392 CO 0.05 0.26 -0.19 -0.74 0.37 0.00 0.00 175.52 175.27 1q84 h HIS 393 N 0.38 1.02 -0.70 3.16 -0.00 -1.87 -2.43 115.15 114.71 1q84 h HIS 393 Ca 0.10 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 60.19 1q84 h HIS 393 Cb 0.32 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1q84 h HIS 393 CO 0.02 1.01 0.24 -0.07 -0.00 0.00 0.00 177.93 179.13 1q84 h LEU 394 N 0.79 0.98 0.63 0.26 3.38 -1.28 -0.20 115.31 119.87 1q84 h LEU 394 Ca 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1q84 h LEU 394 Cb 0.73 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1q84 h LEU 394 CO 0.06 0.90 -0.30 -0.09 0.09 0.00 0.00 178.44 179.09 1q84 h ARG 395 N 1.03 -0.81 0.00 1.13 1.12 -1.26 -1.37 114.38 114.22 1q84 h ARG 395 Ca 0.23 0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 59.14 1q84 h ARG 395 Cb 0.25 0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 30.39 1q84 h ARG 395 CO -0.01 -0.53 -0.10 -0.44 -3.11 0.00 0.00 179.97 175.77 1q84 h ASP 396 N -0.86 0.00 0.06 -3.80 3.32 -1.35 -1.74 116.42 112.06 1q84 h ASP 396 Ca -0.09 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.74 1q84 h ASP 396 Cb 0.65 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.21 1q84 h ASP 396 CO 0.14 0.10 -0.87 0.00 -1.72 0.00 0.00 179.24 176.89 1q84 h ALA 397 N 1.90 0.33 -0.78 3.45 0.00 -0.86 -1.62 119.26 121.69 1q84 h ALA 397 Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1q84 h ALA 397 Cb 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1q84 h ALA 397 CO 0.01 0.73 0.31 1.98 0.00 0.00 0.00 179.25 182.28 1q84 h MET 398 N 0.39 1.17 -0.41 0.00 1.85 -0.56 0.04 114.93 117.41 1q84 h MET 398 Ca -0.07 -0.21 -0.02 0.00 -0.61 0.00 0.00 59.70 58.79 1q84 h MET 398 Cb 1.49 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 33.32 1q84 h MET 398 CO 0.17 0.95 0.18 1.03 -0.40 0.00 0.00 176.91 178.84 1q84 h SER 399 N 1.13 0.54 -0.58 1.39 0.87 -1.30 -2.90 113.55 112.71 1q84 h SER 399 Ca 0.26 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1q84 h SER 399 Cb 0.22 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1q84 h SER 399 CO -0.02 0.53 0.07 0.00 -0.53 0.00 0.00 176.83 176.89 1q84 h ALA 400 N 1.03 0.97 -0.41 6.23 0.00 -0.87 -1.03 119.26 125.18 1q84 h ALA 400 Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1q84 h ALA 400 Cb 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1q84 h ALA 400 CO -0.02 0.64 0.13 0.28 0.00 0.00 0.00 179.25 180.29 1q84 h VAL 401 N 0.95 0.85 -0.17 0.00 2.07 -0.92 0.31 116.25 119.33 1q84 h VAL 401 Ca 0.19 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.43 1q84 h VAL 401 Cb 0.45 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1q84 h VAL 401 CO 0.02 0.05 -0.60 0.58 0.02 0.00 0.00 177.57 177.64 1q84 h VAL 402 N 0.29 1.31 -0.24 2.57 2.07 -1.34 -1.52 116.25 119.39 1q84 h VAL 402 Ca 0.19 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1q84 h VAL 402 Cb 0.19 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1q84 h VAL 402 CO -0.21 0.57 0.11 1.23 0.02 0.00 0.00 177.57 179.29 1q84 h GLY 403 N 0.41 0.38 0.93 2.17 0.00 -1.00 -2.58 103.07 103.38 1q84 h GLY 403 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1q84 h GLY 403 CO 0.13 0.19 -0.24 -0.55 0.00 0.00 0.00 176.54 176.06 1q84 h ASP 404 N 0.25 0.69 -0.44 0.19 3.32 -0.36 -1.18 116.42 118.89 1q84 h ASP 404 Ca 0.08 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 1q84 h ASP 404 Cb 0.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1q84 h ASP 404 CO -0.01 1.01 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.74 1q84 h HIS 405 N 0.38 0.89 0.00 4.55 2.76 -1.33 -0.98 115.15 121.42 1q84 h HIS 405 Ca 0.05 -0.17 -0.20 0.00 -2.20 0.00 0.00 60.37 57.86 1q84 h HIS 405 Cb 0.80 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 1q84 h HIS 405 CO 0.07 0.87 -1.55 0.09 -1.30 0.00 0.00 177.93 176.11 1q84 n ASN 406 N -4.35 0.77 0.06 3.26 3.02 -0.97 -4.55 115.26 112.49 1q84 n ASN 406 Ca -0.00 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1q84 n ASN 406 Cb 0.33 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1q84 n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1q84 n VAL 407 N -2.88 0.29 -0.27 2.41 0.31 -0.53 -4.76 118.33 112.90 1q84 n VAL 407 Ca -0.12 0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 1q84 n VAL 407 Cb 0.89 -0.72 0.07 0.00 -0.91 0.00 0.00 33.84 33.16 1q84 n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1q84 h VAL 408 N 0.00 1.18 0.18 2.52 2.07 -1.43 -0.18 116.25 120.59 1q84 h VAL 408 Ca 0.00 -0.35 -0.31 0.00 0.82 0.00 0.00 66.70 66.87 1q84 h VAL 408 Cb 0.00 0.08 0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1q84 h VAL 408 CO 0.00 0.18 -1.31 0.00 0.02 0.00 0.00 177.57 176.47 1q84 h PRO 410 N 0.18 0.87 -0.43 0.00 0.11 -1.72 -1.03 132.00 129.97 1q84 h PRO 410 Ca -0.21 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1q84 h PRO 410 Cb 2.00 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.90 1q84 h PRO 410 CO 0.25 0.57 -0.02 0.28 -0.21 0.00 0.00 178.00 178.88 1q84 h VAL 411 N 0.89 1.26 -0.90 3.15 2.07 -0.95 -0.30 116.25 121.48 1q84 h VAL 411 Ca 0.40 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1q84 h VAL 411 Cb 0.36 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1q84 h VAL 411 CO -0.16 0.36 0.49 0.00 0.02 0.00 0.00 177.57 178.28 1q84 h ALA 412 N 0.89 1.15 -0.17 1.67 0.00 -1.14 0.03 119.26 121.69 1q84 h ALA 412 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1q84 h ALA 412 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q84 h ALA 412 CO 0.03 0.66 0.03 0.37 0.00 0.00 0.00 179.25 180.34 1q84 h GLN 413 N 1.26 0.27 0.02 0.00 5.75 -1.06 -1.86 115.11 119.49 1q84 h GLN 413 Ca 0.32 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1q84 h GLN 413 Cb 0.03 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1q84 h GLN 413 CO -0.05 0.44 -0.12 1.25 -2.65 0.00 0.00 178.83 177.70 1q84 h LEU 414 N 0.07 -0.33 -0.69 -2.39 5.85 -0.79 -1.50 115.31 115.53 1q84 h LEU 414 Ca 0.05 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1q84 h LEU 414 Cb 0.29 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1q84 h LEU 414 CO 0.00 -0.17 0.41 0.00 -0.34 0.00 0.00 178.44 178.34 1q84 h ALA 415 N 0.74 0.91 -0.62 1.25 0.00 -0.98 -0.38 119.26 120.18 1q84 h ALA 415 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1q84 h ALA 415 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1q84 h ALA 415 CO -0.10 0.13 0.36 0.78 0.00 0.00 0.00 179.25 180.41 1q84 h GLY 416 N 0.77 0.91 0.58 0.00 0.00 -1.16 -1.10 103.07 103.06 1q84 h GLY 416 Ca 0.29 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1q84 h GLY 416 CO -0.15 0.38 -0.15 3.21 0.00 0.00 0.00 176.54 179.83 1q84 h ARG 417 N 0.84 0.21 -0.50 4.80 2.47 -0.86 -2.37 114.38 118.96 1q84 h ARG 417 Ca 0.22 -0.14 0.08 0.00 -1.26 0.00 0.00 59.98 58.88 1q84 h ARG 417 Cb 0.01 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.28 1q84 h ARG 417 CO -0.04 0.75 0.13 -0.07 0.56 0.00 0.00 179.97 181.30 1q84 h LEU 418 N -0.31 0.07 -0.46 3.04 3.38 -1.08 -1.72 115.31 118.23 1q84 h LEU 418 Ca -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1q84 h LEU 418 Cb 0.76 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1q84 h LEU 418 CO 0.03 0.07 0.17 0.00 0.09 0.00 0.00 178.44 178.80 1q84 h ALA 419 N 1.37 0.60 0.00 1.53 0.00 -1.21 -1.72 119.26 119.83 1q84 h ALA 419 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q84 h ALA 419 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1q84 h ALA 419 CO -0.30 0.23 -0.00 0.00 0.00 0.00 0.00 179.25 179.18 1q84 h ALA 420 N 1.02 1.01 -0.20 0.00 0.00 -1.06 -3.04 119.26 116.99 1q84 h ALA 420 Ca 0.15 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1q84 h ALA 420 Cb 0.22 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1q84 h ALA 420 CO -0.01 0.01 -0.32 1.04 0.00 0.00 0.00 179.25 179.97 1q84 n GLN 421 N -3.10 1.81 0.00 0.00 6.02 -0.68 -4.97 117.38 116.46 1q84 n GLN 421 Ca -0.00 -3.30 0.00 0.00 -0.01 0.00 0.00 57.00 53.68 1q84 n GLN 421 Cb 0.24 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.75 1q84 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q84 n GLY 422 N -1.10 0.43 3.80 1.08 0.00 -1.11 -1.90 105.19 106.39 1q84 n GLY 422 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1q84 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q84 s ALA 423 N -2.00 3.14 -0.26 4.61 0.00 -0.69 -4.19 121.76 122.37 1q84 s ALA 423 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 1q84 s ALA 423 Cb 0.00 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1q84 s ALA 423 CO 0.00 0.14 0.85 0.50 0.00 0.00 0.00 175.76 177.25 1q84 s ARG 424 N -2.49 4.13 -0.05 0.00 3.52 -0.59 -4.43 118.95 119.04 1q84 s ARG 424 Ca 0.55 0.90 0.06 0.00 -0.13 0.00 0.00 55.73 57.11 1q84 s ARG 424 Cb -0.15 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1q84 s ARG 424 CO 0.20 -0.59 -0.24 0.08 -0.81 0.00 0.00 175.30 173.94 1q84 s VAL 425 N 2.96 1.93 -0.03 7.11 1.01 -1.26 -1.13 120.40 130.98 1q84 s VAL 425 Ca 0.36 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1q84 s VAL 425 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1q84 s VAL 425 CO 0.09 0.54 -0.24 -0.31 0.00 0.00 0.00 175.10 175.18 1q84 s TYR 426 N -0.17 2.16 0.06 5.22 1.51 -0.27 -0.76 117.35 125.09 1q84 s TYR 426 Ca -0.02 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 1q84 s TYR 426 Cb -0.13 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1q84 s TYR 426 CO 0.03 -0.08 -0.14 0.00 -1.11 0.00 0.00 175.55 174.25 1q84 s ALA 427 N -0.45 1.15 0.07 3.71 0.00 -1.25 -0.71 121.76 124.28 1q84 s ALA 427 Ca 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1q84 s ALA 427 Cb -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1q84 s ALA 427 CO 0.00 0.17 0.01 1.52 0.00 0.00 0.00 175.76 177.47 1q84 s TYR 428 N -1.17 0.51 -0.09 0.00 -0.85 -0.29 -1.97 117.35 113.48 1q84 s TYR 428 Ca -0.01 -1.02 0.02 0.00 -0.52 0.00 0.00 57.07 55.54 1q84 s TYR 428 Cb -0.09 -0.35 0.01 0.00 0.38 0.00 0.00 41.96 41.91 1q84 s TYR 428 CO 0.02 -0.42 -0.16 -1.50 -1.52 0.00 0.00 175.55 171.96 1q84 s ILE 429 N -3.93 1.50 -0.28 -3.49 2.07 -0.01 -2.33 121.20 114.74 1q84 s ILE 429 Ca 0.09 -0.67 -0.14 0.00 -1.41 0.00 0.00 60.65 58.52 1q84 s ILE 429 Cb 0.07 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1q84 s ILE 429 CO -0.09 0.44 0.35 0.12 -1.91 0.00 0.00 174.94 173.85 1q84 s PHE 430 N 0.77 3.24 -0.00 3.50 2.19 0.80 -0.36 117.98 128.10 1q84 s PHE 430 Ca -0.11 0.33 0.01 0.00 0.33 0.00 0.00 56.93 57.48 1q84 s PHE 430 Cb -0.16 -2.56 0.01 0.00 -1.31 0.00 0.00 43.02 39.00 1q84 s PHE 430 CO 0.02 -0.24 0.94 0.39 1.83 0.00 0.00 175.22 178.16 1q84 n GLU 431 N 5.31 2.54 -3.33 10.12 1.02 -0.00 -1.54 120.64 134.75 1q84 n GLU 431 Ca -0.09 -1.40 -0.39 0.00 -0.02 0.00 0.00 57.16 55.26 1q84 n GLU 431 Cb 0.51 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.90 1q84 n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1q84 s HIS 432 N -0.92 3.32 -0.17 -0.32 2.46 -1.24 -4.95 115.29 113.47 1q84 s HIS 432 Ca 0.01 0.60 -0.25 0.00 0.47 0.00 0.00 55.06 55.89 1q84 s HIS 432 Cb 0.01 -2.60 -0.01 0.00 -0.13 0.00 0.00 32.58 29.85 1q84 s HIS 432 CO 0.00 -0.13 0.82 0.50 -2.47 0.00 0.00 174.74 173.46 1q84 s ARG 433 N 1.74 4.29 0.36 2.88 3.52 -1.26 -4.91 118.95 125.56 1q84 s ARG 433 Ca 0.19 1.00 -0.28 0.00 -0.13 0.00 0.00 55.73 56.51 1q84 s ARG 433 Cb -0.15 -3.58 -0.11 0.00 -1.56 0.00 0.00 34.95 29.55 1q84 s ARG 433 CO 0.09 -0.33 1.50 0.00 -0.81 0.00 0.00 175.30 175.75 1q84 s ALA 434 N 2.15 3.60 0.56 6.12 0.00 -1.26 -4.86 121.76 128.07 1q84 s ALA 434 Ca 0.38 1.56 0.26 0.00 0.00 0.00 0.00 51.96 54.15 1q84 s ALA 434 Cb -0.16 -3.61 1.64 0.00 0.00 0.00 0.00 23.12 20.99 1q84 s ALA 434 CO 0.12 -1.02 2.21 0.66 0.00 0.00 0.00 175.76 177.73 1q84 h SER 435 N 3.40 0.00 -0.19 0.00 4.64 -1.96 -2.68 113.55 116.77 1q84 h SER 435 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1q84 h SER 435 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1q84 h SER 435 CO 0.67 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 177.00 1q84 n THR 436 N -4.01 0.23 -1.87 2.95 -2.24 -1.26 -4.96 114.28 103.12 1q84 n THR 436 Ca -0.03 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 1q84 n THR 436 Cb 0.10 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1q84 n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1q84 s LEU 437 N -1.60 4.34 0.00 3.22 2.96 -1.01 -4.93 118.68 121.66 1q84 s LEU 437 Ca 0.34 2.97 0.13 0.00 -0.22 0.00 0.00 54.13 57.34 1q84 s LEU 437 Cb 0.19 -3.66 -0.11 0.00 0.50 0.00 0.00 46.19 43.10 1q84 s LEU 437 CO 0.28 -0.80 0.57 0.35 -1.32 0.00 0.00 176.35 175.43 1q84 n THR 438 N 0.61 0.00 -1.99 3.68 -2.24 -1.26 -4.95 114.28 108.13 1q84 n THR 438 Ca 0.01 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1q84 n THR 438 Cb 0.40 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.68 1q84 n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1q84 s TRP 439 N -2.09 2.84 0.71 4.78 0.52 -1.26 -4.95 118.94 119.48 1q84 s TRP 439 Ca 0.06 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 57.59 1q84 s TRP 439 Cb 0.10 -3.09 0.02 0.00 -1.15 0.00 0.00 33.47 29.35 1q84 s TRP 439 CO 0.48 -1.33 1.08 -1.25 0.02 0.00 0.00 176.95 175.95 1q84 s PRO 440 N -3.97 2.70 0.46 4.98 0.04 -1.26 -4.93 135.00 133.02 1q84 s PRO 440 Ca 0.66 1.14 0.20 0.00 0.04 0.00 0.00 61.00 63.04 1q84 s PRO 440 Cb -0.18 -1.95 1.17 0.00 0.04 0.00 0.00 34.50 33.58 1q84 s PRO 440 CO 0.37 -1.30 1.92 -0.07 0.04 0.00 0.00 177.00 177.96 1q84 h LEU 441 N -0.60 0.27 -1.91 -3.56 3.38 -1.94 -2.16 115.31 108.79 1q84 h LEU 441 Ca -0.45 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1q84 h LEU 441 Cb 1.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1q84 h LEU 441 CO 0.54 0.13 -0.09 4.11 0.09 0.00 0.00 178.44 183.22 1q84 h TRP 442 N 0.29 0.00 0.00 1.13 5.08 -1.94 -1.60 115.95 118.91 1q84 h TRP 442 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 1q84 h TRP 442 Cb 1.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 1q84 h TRP 442 CO -0.00 0.09 0.00 -1.33 -1.28 0.00 0.00 178.44 175.92 1q84 n MET 443 N -3.44 0.05 0.00 0.12 2.81 -0.81 -4.97 117.12 110.87 1q84 n MET 443 Ca -0.01 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1q84 n MET 443 Cb 0.25 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1q84 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q84 n GLY 444 N 1.01 3.65 3.17 3.03 0.00 -0.61 -3.66 105.19 111.78 1q84 n GLY 444 Ca 0.06 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1q84 n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q84 s VAL 445 N 0.00 4.20 0.75 1.61 1.01 -1.26 -4.85 120.40 121.86 1q84 s VAL 445 Ca 0.00 -2.49 -0.11 0.00 0.00 0.00 0.00 61.98 59.38 1q84 s VAL 445 Cb 0.00 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1q84 s VAL 445 CO 0.00 -0.87 1.08 -2.84 0.00 0.00 0.00 175.10 172.47 1q84 s PRO 446 N 0.45 2.43 -0.25 2.72 0.02 -1.24 -2.06 135.00 137.07 1q84 s PRO 446 Ca 0.14 0.95 -0.39 0.00 0.02 0.00 0.00 61.00 61.71 1q84 s PRO 446 Cb -0.20 -1.93 -0.15 0.00 0.02 0.00 0.00 34.50 32.24 1q84 s PRO 446 CO -0.04 -1.46 1.80 1.58 -0.33 0.00 0.00 177.00 178.56 1q84 n HIS 447 N -3.37 2.09 0.00 6.54 -0.00 -1.24 -1.91 115.22 117.34 1q84 n HIS 447 Ca 0.08 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 1q84 n HIS 447 Cb 0.54 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 1q84 n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1q84 n GLY 448 N 4.40 2.01 0.87 1.57 0.00 -1.26 -4.98 105.19 107.81 1q84 n GLY 448 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.35 1q84 n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1q84 n TYR 449 N -1.43 0.69 0.08 1.61 4.02 -0.80 -2.58 117.16 118.75 1q84 n TYR 449 Ca 0.00 -0.30 0.08 0.00 -0.01 0.00 0.00 57.90 57.67 1q84 n TYR 449 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 1q84 n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1q84 n GLU 450 N 0.61 0.61 -0.14 -0.72 0.00 -1.26 -4.58 120.64 115.16 1q84 n GLU 450 Ca 0.14 0.15 -0.08 0.00 0.00 0.00 0.00 57.16 57.36 1q84 n GLU 450 Cb 0.44 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 30.07 1q84 n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1q84 h ILE 451 N 0.00 1.16 -0.17 3.84 2.04 -1.89 -1.37 117.51 121.12 1q84 h ILE 451 Ca -0.05 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1q84 h ILE 451 Cb 1.16 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1q84 h ILE 451 CO 0.01 0.16 0.16 1.05 0.00 0.00 0.00 178.15 179.54 1q84 h GLU 452 N 0.54 0.00 0.07 2.37 4.11 -1.79 -1.88 114.58 118.01 1q84 h GLU 452 Ca 0.15 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.40 1q84 h GLU 452 Cb 0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.33 1q84 h GLU 452 CO -0.02 0.00 -0.74 0.74 0.07 0.00 0.00 179.01 179.06 1q84 h PHE 453 N 0.00 0.60 -0.55 2.06 0.04 -1.54 -1.71 116.94 115.85 1q84 h PHE 453 Ca 0.08 -0.38 0.05 0.00 2.80 0.00 0.00 57.97 60.52 1q84 h PHE 453 Cb 0.41 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.46 1q84 h PHE 453 CO 0.00 1.24 0.29 0.82 -0.60 0.00 0.00 178.31 180.06 1q84 h ILE 454 N -0.21 0.97 0.00 -0.55 1.08 -1.16 -2.14 117.51 115.50 1q84 h ILE 454 Ca -0.11 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1q84 h ILE 454 Cb 1.50 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1q84 h ILE 454 CO 0.14 0.10 0.00 0.49 -0.69 0.00 0.00 178.15 178.19 1q84 n PHE 455 N -4.85 0.23 -0.73 1.37 3.01 -0.74 -4.44 117.46 111.31 1q84 n PHE 455 Ca 0.05 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1q84 n PHE 455 Cb 0.14 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 38.98 1q84 n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q84 n GLY 456 N 0.73 0.55 0.34 1.37 0.00 -0.81 -4.06 105.19 103.31 1q84 n GLY 456 Ca 0.05 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.36 1q84 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q84 h LEU 457 N 0.00 0.74 -1.74 0.99 4.07 -1.57 -1.98 115.31 115.83 1q84 h LEU 457 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1q84 h LEU 457 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1q84 h LEU 457 CO 0.00 0.34 0.41 -0.65 -1.08 0.00 0.00 178.44 177.46 1q84 h PRO 458 N 0.80 0.00 0.00 1.13 0.11 -1.90 0.14 132.00 132.27 1q84 h PRO 458 Ca 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.60 1q84 h PRO 458 Cb 0.64 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1q84 h PRO 458 CO -0.33 0.00 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.32 1q84 h LEU 459 N 0.00 0.00 -8.75 2.35 4.07 -1.67 -3.42 115.31 107.89 1q84 h LEU 459 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1q84 h LEU 459 Cb 0.82 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.49 1q84 h LEU 459 CO 0.00 0.07 0.99 -0.62 -1.08 0.00 0.00 178.44 177.80 1q84 s ASP 460 N -5.81 6.50 0.47 -0.43 -1.08 0.03 -4.82 116.67 111.53 1q84 s ASP 460 Ca -0.01 0.61 0.25 0.00 -0.52 0.00 0.00 52.55 52.88 1q84 s ASP 460 Cb 0.10 -2.55 1.14 0.00 -1.46 0.00 0.00 42.92 40.16 1q84 s ASP 460 CO 0.55 -1.34 1.93 -0.65 0.52 0.00 0.00 175.17 176.19 1q84 h PRO 461 N 9.88 0.00 0.00 4.34 0.11 -1.87 -1.65 132.00 142.81 1q84 h PRO 461 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1q84 h PRO 461 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1q84 h PRO 461 CO 1.11 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.76 1q84 h SER 462 N 0.00 0.00 0.60 -2.05 4.64 -1.95 -3.00 113.55 111.79 1q84 h SER 462 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q84 h SER 462 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1q84 h SER 462 CO 0.03 0.00 -0.39 0.18 -0.87 0.00 0.00 176.83 175.78 1q84 n LEU 463 N -2.39 0.41 -0.75 5.97 4.77 -0.62 -4.98 117.00 119.41 1q84 n LEU 463 Ca -0.01 0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 1q84 n LEU 463 Cb 0.09 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1q84 n LEU 463 CO 0.14 0.10 -0.09 0.59 -1.33 0.00 0.00 177.39 176.80 1q84 n ASN 464 N -1.48 -3.20 -4.80 -1.43 3.02 -1.13 -5.01 115.26 101.22 1q84 n ASN 464 Ca 0.06 0.07 -0.31 0.00 -0.03 0.00 0.00 54.58 54.36 1q84 n ASN 464 Cb 0.34 -2.08 0.05 0.00 -0.61 0.00 0.00 39.78 37.47 1q84 n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1q84 s TYR 465 N -2.34 2.94 0.88 3.10 2.02 -1.26 -4.87 117.35 117.82 1q84 s TYR 465 Ca 0.00 1.48 -0.12 0.00 -0.37 0.00 0.00 57.07 58.06 1q84 s TYR 465 Cb 0.00 -2.96 0.12 0.00 -0.40 0.00 0.00 41.96 38.72 1q84 s TYR 465 CO 0.00 -1.36 1.10 0.95 -1.57 0.00 0.00 175.55 174.67 1q84 s THR 466 N -2.86 2.56 0.22 -0.71 -4.23 -1.26 -4.90 115.64 104.46 1q84 s THR 466 Ca 0.60 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 1q84 s THR 466 Cb -0.15 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.04 1q84 s THR 466 CO 0.51 -0.24 1.81 0.74 -0.54 0.00 0.00 174.62 176.91 1q84 h THR 467 N -1.42 1.26 -0.83 3.99 2.02 -1.96 -2.20 112.91 113.76 1q84 h THR 467 Ca -0.50 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 1q84 h THR 467 Cb 1.30 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1q84 h THR 467 CO 0.59 0.32 0.41 -0.33 0.37 0.00 0.00 175.52 176.87 1q84 h GLU 468 N 1.21 1.20 -0.47 6.66 3.07 -1.99 -1.63 114.58 122.62 1q84 h GLU 468 Ca 0.29 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1q84 h GLU 468 Cb 0.13 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1q84 h GLU 468 CO -0.03 0.91 0.09 0.93 -1.40 0.00 0.00 179.01 179.51 1q84 h GLU 469 N 1.18 0.73 -0.44 2.33 5.08 -1.87 0.13 114.58 121.71 1q84 h GLU 469 Ca 0.29 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1q84 h GLU 469 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1q84 h GLU 469 CO -0.04 0.68 0.06 -0.09 -1.00 0.00 0.00 179.01 178.62 1q84 h ARG 470 N 0.70 0.73 -0.49 2.33 2.43 -0.91 -0.68 114.38 118.48 1q84 h ARG 470 Ca 0.15 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1q84 h ARG 470 Cb 0.30 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1q84 h ARG 470 CO 0.00 0.77 -0.16 0.82 -1.51 0.00 0.00 179.97 179.88 1q84 h ILE 471 N 0.59 1.27 -0.45 1.20 2.04 -0.97 -2.01 117.51 119.18 1q84 h ILE 471 Ca 0.13 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1q84 h ILE 471 Cb 0.40 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1q84 h ILE 471 CO 0.01 0.46 0.30 0.15 0.00 0.00 0.00 178.15 179.07 1q84 h PHE 472 N 0.84 0.57 -0.68 1.37 3.57 -0.94 -1.48 116.94 120.19 1q84 h PHE 472 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1q84 h PHE 472 Cb 0.74 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1q84 h PHE 472 CO 0.05 0.36 0.41 0.00 -2.23 0.00 0.00 178.31 176.90 1q84 h ALA 473 N 1.16 0.87 -0.87 2.41 0.00 -0.96 -1.47 119.26 120.40 1q84 h ALA 473 Ca 0.17 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1q84 h ALA 473 Cb -0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1q84 h ALA 473 CO -0.04 0.34 0.55 1.96 0.00 0.00 0.00 179.25 182.06 1q84 h GLN 474 N 0.93 1.00 -0.13 0.00 4.20 -1.06 -0.74 115.11 119.30 1q84 h GLN 474 Ca 0.24 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1q84 h GLN 474 Cb -0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1q84 h GLN 474 CO -0.05 0.66 0.09 0.00 -0.67 0.00 0.00 178.83 178.86 1q84 h ARG 475 N 1.03 0.17 -0.62 1.46 3.08 -0.61 -2.19 114.38 116.70 1q84 h ARG 475 Ca 0.37 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.33 1q84 h ARG 475 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1q84 h ARG 475 CO -0.15 0.12 0.09 -0.07 -1.07 0.00 0.00 179.97 178.88 1q84 h LEU 476 N 0.18 0.99 -1.30 3.04 3.38 -0.84 -0.86 115.31 119.90 1q84 h LEU 476 Ca 0.05 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1q84 h LEU 476 Cb -0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1q84 h LEU 476 CO -0.01 1.01 0.48 0.24 0.09 0.00 0.00 178.44 180.25 1q84 h MET 477 N 0.94 0.94 -0.26 1.13 2.86 -1.04 -1.04 114.93 118.45 1q84 h MET 477 Ca 0.19 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.65 1q84 h MET 477 Cb 0.45 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1q84 h MET 477 CO 0.01 0.62 -0.30 -0.22 1.06 0.00 0.00 176.91 178.09 1q84 h LYS 478 N 0.97 0.67 -0.24 1.72 1.63 -0.96 -1.81 116.57 118.54 1q84 h LYS 478 Ca 0.27 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1q84 h LYS 478 Cb -0.09 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1q84 h LYS 478 CO -0.06 0.98 0.14 1.88 -3.45 0.00 0.00 179.45 178.94 1q84 h TYR 479 N 0.39 0.32 -0.37 1.91 0.05 -0.48 0.41 116.97 119.20 1q84 h TYR 479 Ca 0.04 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1q84 h TYR 479 Cb 0.87 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 1q84 h TYR 479 CO 0.08 0.26 0.08 -1.49 -1.05 0.00 0.00 178.16 176.03 1q84 h TRP 480 N 0.29 0.63 0.00 4.88 -0.00 -1.20 -1.15 115.95 119.41 1q84 h TRP 480 Ca 0.09 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 1q84 h TRP 480 Cb 0.03 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 28.99 1q84 h TRP 480 CO -0.04 0.63 -0.68 1.79 -0.00 0.00 0.00 178.44 180.14 1q84 h THR 481 N 0.45 1.24 -0.57 1.49 1.35 -1.31 -0.63 112.91 114.92 1q84 h THR 481 Ca 0.12 -2.56 -0.05 0.00 -0.55 0.00 0.00 66.41 63.37 1q84 h THR 481 Cb 0.32 2.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.20 1q84 h THR 481 CO 0.00 0.67 0.17 0.78 -0.25 0.00 0.00 175.52 176.89 1q84 h ASN 482 N 0.00 0.84 -0.65 5.36 2.35 -0.78 -1.06 115.58 121.63 1q84 h ASN 482 Ca -0.01 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1q84 h ASN 482 Cb 1.43 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1q84 h ASN 482 CO 0.09 0.83 0.34 0.15 -1.65 0.00 0.00 177.43 177.20 1q84 h PHE 483 N 0.80 0.91 -0.72 1.19 3.57 -0.96 -0.86 116.94 120.87 1q84 h PHE 483 Ca 0.18 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1q84 h PHE 483 Cb 0.30 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1q84 h PHE 483 CO 0.02 0.66 0.39 0.00 -2.23 0.00 0.00 178.31 177.16 1q84 h ALA 484 N 1.16 0.92 -0.33 2.41 0.00 -0.92 0.99 119.26 123.49 1q84 h ALA 484 Ca 0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1q84 h ALA 484 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1q84 h ALA 484 CO -0.03 0.44 -0.18 0.00 0.00 0.00 0.00 179.25 179.48 1q84 h ARG 485 N 0.99 0.71 0.00 0.00 3.08 -0.91 -3.41 114.38 114.85 1q84 h ARG 485 Ca 0.25 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1q84 h ARG 485 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1q84 h ARG 485 CO -0.04 0.92 -0.01 0.25 -1.07 0.00 0.00 179.97 180.02 1q84 n THR 486 N -4.33 0.00 -0.88 2.04 -2.24 -0.35 -5.01 114.28 103.51 1q84 n THR 486 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1q84 n THR 486 Cb 0.40 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1q84 n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q84 n GLY 487 N 0.50 0.55 2.86 3.38 0.00 0.34 -5.02 105.19 107.79 1q84 n GLY 487 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1q84 n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q84 s ASP 488 N -2.08 0.76 0.31 1.61 -1.08 -1.26 -4.92 116.67 110.02 1q84 s ASP 488 Ca 0.00 0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.61 1q84 s ASP 488 Cb 0.00 0.37 1.01 0.00 -1.46 0.00 0.00 42.92 42.84 1q84 s ASP 488 CO 0.00 -0.25 1.77 1.55 0.52 0.00 0.00 175.17 178.76 1q84 h PRO 489 N 8.34 0.00 -7.03 4.34 0.13 -1.82 -3.14 132.00 132.83 1q84 h PRO 489 Ca -0.14 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.51 1q84 h PRO 489 Cb 1.12 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.29 1q84 h PRO 489 CO 0.16 0.00 0.42 -0.80 -0.23 0.00 0.00 178.00 177.54 1q84 s ASN 490 N -4.62 6.34 -0.18 1.44 0.01 -1.26 -4.39 114.94 112.27 1q84 s ASN 490 Ca 0.05 2.06 -0.26 0.00 -0.71 0.00 0.00 52.86 53.99 1q84 s ASN 490 Cb 0.09 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 1q84 s ASN 490 CO 0.46 -0.79 0.89 -0.62 -1.51 0.00 0.00 177.10 175.53 1q84 s ASP 491 N -1.72 7.00 0.16 -1.22 2.15 -1.26 -4.95 116.67 116.83 1q84 s ASP 491 Ca 0.65 1.24 -0.15 0.00 0.43 0.00 0.00 52.55 54.72 1q84 s ASP 491 Cb -0.21 -2.48 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1q84 s ASP 491 CO 0.26 -0.46 1.78 1.55 -0.17 0.00 0.00 175.17 178.12 1q84 h PRO 492 N 7.36 0.64 -0.54 4.34 0.13 -1.96 -3.22 132.00 138.76 1q84 h PRO 492 Ca -0.27 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1q84 h PRO 492 Cb 1.12 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1q84 h PRO 492 CO 0.87 0.49 0.08 0.00 -0.23 0.00 0.00 178.00 179.21 1q84 h ARG 493 N 0.62 0.90 -5.84 0.86 -0.00 -2.05 -3.38 114.38 105.49 1q84 h ARG 493 Ca 0.17 -0.25 -0.66 0.00 -0.50 0.00 0.00 59.98 58.74 1q84 h ARG 493 Cb 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 29.97 29.79 1q84 h ARG 493 CO -0.03 0.88 1.95 0.34 0.00 0.00 0.00 179.97 183.10 1q84 s ASP 494 N -6.30 6.76 0.09 7.04 2.15 -1.22 -4.86 116.67 120.34 1q84 s ASP 494 Ca -0.12 -2.22 -0.17 0.00 0.43 0.00 0.00 52.55 50.47 1q84 s ASP 494 Cb 0.12 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1q84 s ASP 494 CO 0.82 -1.23 1.49 -1.28 -0.17 0.00 0.00 175.17 174.79 1q84 h SER 495 N 8.14 0.56 1.17 -0.34 0.87 -1.80 -3.33 113.55 118.82 1q84 h SER 495 Ca 0.37 -0.37 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1q84 h SER 495 Cb 0.91 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1q84 h SER 495 CO 1.43 0.80 -0.64 0.50 -0.53 0.00 0.00 176.83 178.38 1q84 h LYS 496 N 0.31 0.00 -6.53 2.24 3.11 -1.96 -3.45 116.57 110.29 1q84 h LYS 496 Ca 0.07 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.31 1q84 h LYS 496 Cb 0.55 0.00 0.11 0.00 -1.00 0.00 0.00 32.23 31.90 1q84 h LYS 496 CO 0.03 0.64 0.19 0.45 -2.81 0.00 0.00 179.45 177.95 1q84 n SER 497 N -3.36 1.53 -4.77 4.20 2.88 -1.25 -4.88 113.62 107.98 1q84 n SER 497 Ca 0.01 1.17 -0.40 0.00 -1.33 0.00 0.00 58.87 58.32 1q84 n SER 497 Cb 0.75 -1.33 -0.02 0.00 -0.75 0.00 0.00 64.21 62.86 1q84 n SER 497 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1q84 s PRO 498 N -1.64 4.36 0.49 -1.46 0.02 -1.26 -4.96 135.00 130.54 1q84 s PRO 498 Ca 0.58 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 1q84 s PRO 498 Cb -0.67 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 30.74 1q84 s PRO 498 CO 0.60 -0.16 0.90 -0.65 -0.33 0.00 0.00 177.00 177.36 1q84 s GLN 499 N -1.80 3.77 -0.41 5.54 -1.52 -1.26 -4.86 119.66 119.12 1q84 s GLN 499 Ca 0.49 0.65 -0.07 0.00 -1.95 0.00 0.00 55.36 54.49 1q84 s GLN 499 Cb -0.38 -2.24 0.09 0.00 -0.22 0.00 0.00 33.01 30.26 1q84 s GLN 499 CO 0.50 -0.24 0.23 -0.46 -0.25 0.00 0.00 175.29 175.07 1q84 s TRP 500 N -2.66 3.41 0.36 0.91 -0.11 -1.26 -4.91 118.94 114.67 1q84 s TRP 500 Ca 0.54 -1.85 -0.20 0.00 1.22 0.00 0.00 56.10 55.81 1q84 s TRP 500 Cb -0.10 -3.02 -0.10 0.00 -1.50 0.00 0.00 33.47 28.75 1q84 s TRP 500 CO 0.37 -0.90 0.86 -1.25 -4.62 0.00 0.00 176.95 171.42 1q84 s PRO 501 N 1.32 4.23 0.61 5.86 0.04 -1.26 -4.87 135.00 140.92 1q84 s PRO 501 Ca 0.04 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.88 1q84 s PRO 501 Cb -0.23 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1q84 s PRO 501 CO -0.00 0.13 1.23 -2.30 0.04 0.00 0.00 177.00 176.10 1q84 n PRO 502 N -0.19 1.22 -2.33 0.56 -0.02 -1.26 -4.71 135.00 128.27 1q84 n PRO 502 Ca 0.04 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1q84 n PRO 502 Cb 0.53 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1q84 n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1q84 s TYR 503 N -1.38 3.09 0.19 6.00 6.14 0.06 -4.49 117.35 126.95 1q84 s TYR 503 Ca 0.78 1.04 0.07 0.00 0.64 0.00 0.00 57.07 59.60 1q84 s TYR 503 Cb -0.40 -3.54 -0.05 0.00 0.42 0.00 0.00 41.96 38.39 1q84 s TYR 503 CO 0.44 -1.87 -0.15 0.95 0.64 0.00 0.00 175.55 175.56 1q84 s THR 504 N 2.02 1.68 0.27 4.34 -4.23 -1.26 -4.49 115.64 113.97 1q84 s THR 504 Ca 0.60 -2.12 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1q84 s THR 504 Cb -0.29 -1.96 0.12 0.00 1.34 0.00 0.00 72.50 71.71 1q84 s THR 504 CO 0.26 -0.56 1.77 0.71 -0.54 0.00 0.00 174.62 176.27 1q84 h THR 505 N 2.75 1.24 0.09 3.99 1.35 -1.90 0.34 112.91 120.76 1q84 h THR 505 Ca -0.39 -0.97 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1q84 h THR 505 Cb 1.21 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1q84 h THR 505 CO 0.60 0.34 -0.04 0.00 -0.25 0.00 0.00 175.52 176.17 1q84 h ALA 506 N 1.29 -0.12 0.00 6.62 0.00 -2.00 -3.36 119.26 121.68 1q84 h ALA 506 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1q84 h ALA 506 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q84 h ALA 506 CO 0.02 -0.51 -1.58 0.00 0.00 0.00 0.00 179.25 177.17 1q84 n ALA 507 N -2.21 2.57 -4.02 0.00 0.00 -1.21 -5.02 120.51 110.62 1q84 n ALA 507 Ca -0.08 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 1q84 n ALA 507 Cb 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1q84 n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q84 n GLN 508 N -1.95 -4.45 -2.84 0.00 6.02 0.12 -4.41 117.38 109.86 1q84 n GLN 508 Ca -0.02 0.50 -0.37 0.00 -0.01 0.00 0.00 57.00 57.10 1q84 n GLN 508 Cb 0.35 -5.25 -0.06 0.00 1.02 0.00 0.00 30.24 26.30 1q84 n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1q84 s GLN 509 N -6.69 4.53 0.27 -1.09 -0.21 -1.26 -1.03 119.66 114.17 1q84 s GLN 509 Ca 0.60 1.25 -0.11 0.00 0.02 0.00 0.00 55.36 57.12 1q84 s GLN 509 Cb -0.31 -2.84 -0.00 0.00 1.00 0.00 0.00 33.01 30.86 1q84 s GLN 509 CO 0.87 0.31 0.48 1.52 -2.12 0.00 0.00 175.29 176.35 1q84 s TYR 510 N -1.58 0.51 0.12 0.91 1.13 -0.61 -3.61 117.35 114.22 1q84 s TYR 510 Ca 0.48 -0.86 0.08 0.00 -1.41 0.00 0.00 57.07 55.36 1q84 s TYR 510 Cb -0.19 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1q84 s TYR 510 CO 0.23 -1.03 -0.19 0.14 -2.51 0.00 0.00 175.55 172.19 1q84 s VAL 511 N -3.77 1.65 -0.13 -3.49 -7.23 -0.83 -0.79 120.40 105.81 1q84 s VAL 511 Ca 0.24 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 1q84 s VAL 511 Cb -0.00 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1q84 s VAL 511 CO 0.11 -0.17 0.67 -0.94 -0.31 0.00 0.00 175.10 174.46 1q84 s SER 512 N -2.14 6.85 -0.47 4.85 1.04 -0.53 -0.83 113.70 122.48 1q84 s SER 512 Ca 0.08 1.03 -0.14 0.00 0.48 0.00 0.00 55.95 57.41 1q84 s SER 512 Cb -0.08 -2.38 0.08 0.00 0.10 0.00 0.00 66.02 63.73 1q84 s SER 512 CO 0.05 -0.19 0.38 -0.76 0.98 0.00 0.00 173.24 173.70 1q84 s LEU 513 N 1.29 5.59 0.00 2.42 1.43 0.51 -4.04 118.68 125.87 1q84 s LEU 513 Ca 0.33 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1q84 s LEU 513 Cb -0.17 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1q84 s LEU 513 CO 0.14 -0.65 0.00 -0.46 0.23 0.00 0.00 176.35 175.61 1q84 n ASN 514 N 5.14 0.00 0.25 2.29 0.23 -1.26 -0.82 115.26 121.08 1q84 n ASN 514 Ca -0.12 -0.80 0.13 0.00 -0.53 0.00 0.00 54.58 53.25 1q84 n ASN 514 Cb 0.43 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.72 1q84 n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1q84 h LEU 515 N 0.00 0.00-10.35 -4.53 3.38 -1.95 -3.44 115.31 98.42 1q84 h LEU 515 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1q84 h LEU 515 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 1q84 h LEU 515 CO 0.00 0.15 0.41 -0.54 0.09 0.00 0.00 178.44 178.54 1q84 s LYS 516 N -3.78 3.44 0.80 1.13 1.02 -1.26 -5.01 119.74 116.08 1q84 s LYS 516 Ca -0.00 0.81 -0.14 0.00 0.02 0.00 0.00 55.97 56.66 1q84 s LYS 516 Cb 0.11 -2.06 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1q84 s LYS 516 CO 0.60 -0.70 0.94 -2.30 -0.92 0.00 0.00 175.35 172.97 1q84 n PRO 517 N -2.81 0.19 -1.59 -1.68 -0.02 -1.26 -4.87 135.00 122.97 1q84 n PRO 517 Ca 0.06 0.13 -0.49 0.00 -2.02 0.00 0.00 63.50 61.18 1q84 n PRO 517 Cb 0.54 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1q84 n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1q84 n LEU 518 N -2.24 1.63 -4.25 2.45 4.77 -1.26 -4.94 117.00 113.16 1q84 n LEU 518 Ca 0.12 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 1q84 n LEU 518 Cb 0.51 -1.22 -0.16 0.00 -2.33 0.00 0.00 43.42 40.21 1q84 n LEU 518 CO 0.49 -1.21 -0.55 -0.70 -1.33 0.00 0.00 177.39 174.09 1q84 s GLU 519 N -0.21 2.06 -0.17 3.23 2.12 -1.26 -4.88 118.70 119.61 1q84 s GLU 519 Ca 0.75 -0.82 -0.15 0.00 0.36 0.00 0.00 54.97 55.11 1q84 s GLU 519 Cb -0.86 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1q84 s GLU 519 CO 0.51 0.43 0.35 0.08 -0.54 0.00 0.00 175.26 176.09 1q84 s VAL 520 N -0.35 5.26 0.31 3.70 1.01 -1.26 -1.46 120.40 127.61 1q84 s VAL 520 Ca 0.03 0.66 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1q84 s VAL 520 Cb -0.11 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1q84 s VAL 520 CO 0.01 0.34 -0.15 -0.13 0.00 0.00 0.00 175.10 175.17 1q84 s ARG 521 N 0.74 1.74 -0.04 2.72 0.52 0.03 -4.98 118.95 119.68 1q84 s ARG 521 Ca 0.19 -1.85 0.06 0.00 -0.52 0.00 0.00 55.73 53.61 1q84 s ARG 521 Cb -0.14 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 1q84 s ARG 521 CO 0.06 0.23 -0.24 1.03 0.02 0.00 0.00 175.30 176.40 1q84 s ARG 522 N -3.56 2.30 0.00 3.54 0.52 -1.26 -1.57 118.95 118.91 1q84 s ARG 522 Ca 0.31 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1q84 s ARG 522 Cb -0.01 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1q84 s ARG 522 CO 0.16 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1q84 n GLY 523 N 2.84 -2.79 3.49 -3.53 0.00 -0.20 -4.89 105.19 100.10 1q84 n GLY 523 Ca -0.17 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 1q84 n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q84 s LEU 524 N 0.00 4.23 -1.55 0.99 2.96 -1.26 -4.19 118.68 119.86 1q84 s LEU 524 Ca 0.00 -1.35 -0.06 0.00 -0.22 0.00 0.00 54.13 52.50 1q84 s LEU 524 Cb 0.00 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.28 1q84 s LEU 524 CO 0.00 -1.39 0.39 0.54 -1.32 0.00 0.00 176.35 174.57 1q84 n ARG 525 N 7.84 -2.42 -0.10 1.98 5.12 -1.26 -4.78 116.66 123.03 1q84 n ARG 525 Ca 0.14 0.29 -0.09 0.00 -1.93 0.00 0.00 57.85 56.26 1q84 n ARG 525 Cb 0.48 -4.40 -0.01 0.00 -1.16 0.00 0.00 32.46 27.37 1q84 n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1q84 h ALA 526 N 0.84 0.42 -0.10 7.54 0.00 -1.93 0.19 119.26 126.23 1q84 h ALA 526 Ca -0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1q84 h ALA 526 Cb 1.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1q84 h ALA 526 CO 0.70 -0.09 0.04 0.37 0.00 0.00 0.00 179.25 180.26 1q84 h GLN 527 N 0.44 0.16 -0.23 0.00 5.75 -1.95 -1.48 115.11 117.80 1q84 h GLN 527 Ca 0.12 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.50 1q84 h GLN 527 Cb -0.02 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1q84 h GLN 527 CO -0.02 0.29 -0.26 1.15 -2.65 0.00 0.00 178.83 177.34 1q84 h THR 528 N -0.01 1.26 0.00 2.39 2.02 -1.90 -2.58 112.91 114.10 1q84 h THR 528 Ca 0.03 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 1q84 h THR 528 Cb 0.20 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1q84 h THR 528 CO -0.00 0.39 -0.06 0.00 0.37 0.00 0.00 175.52 176.22 1q84 h ALA 530 N 1.94 1.14 0.30 0.00 0.00 -0.89 -0.33 119.26 121.41 1q84 h ALA 530 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1q84 h ALA 530 Cb 0.95 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1q84 h ALA 530 CO 0.01 0.54 -0.16 0.35 0.00 0.00 0.00 179.25 179.99 1q84 h PHE 531 N 0.50 -0.41 -0.07 0.00 3.57 -1.04 -1.75 116.94 117.72 1q84 h PHE 531 Ca 0.08 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 1q84 h PHE 531 Cb 0.58 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1q84 h PHE 531 CO 0.02 -0.25 -0.79 -1.49 -2.23 0.00 0.00 178.31 173.56 1q84 h TRP 532 N -0.42 0.67 0.00 0.41 4.06 -1.36 -1.18 115.95 118.13 1q84 h TRP 532 Ca -0.04 -0.31 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1q84 h TRP 532 Cb 0.34 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1q84 h TRP 532 CO -0.07 1.10 -1.51 0.09 -3.56 0.00 0.00 178.44 174.49 1q84 n ASN 533 N -3.83 0.42 0.00 -3.49 3.02 -0.14 -4.23 115.26 106.99 1q84 n ASN 533 Ca -0.06 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1q84 n ASN 533 Cb 0.75 1.24 0.00 0.00 -0.61 0.00 0.00 39.78 41.16 1q84 n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q84 n ARG 534 N -2.44 0.00 -0.06 3.52 1.74 -0.71 -4.80 116.66 113.91 1q84 n ARG 534 Ca -0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1q84 n ARG 534 Cb 0.56 -0.83 -0.05 0.00 -1.02 0.00 0.00 32.46 31.12 1q84 n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1q84 h PHE 535 N 0.00 0.00 -0.58 -1.55 3.57 -1.17 -3.36 116.94 113.85 1q84 h PHE 535 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1q84 h PHE 535 Cb 0.97 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 1q84 h PHE 535 CO 0.00 0.41 0.16 -0.07 -2.23 0.00 0.00 178.31 176.58 1q84 h LEU 536 N -1.00 0.09 -0.69 0.59 3.38 -1.39 -1.44 115.31 114.85 1q84 h LEU 536 Ca -0.02 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1q84 h LEU 536 Cb 0.44 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 1q84 h LEU 536 CO -0.01 0.06 0.17 -0.65 0.09 0.00 0.00 178.44 178.10 1q84 h PRO 537 N 0.31 0.28 0.00 1.13 0.11 -1.77 0.80 132.00 132.85 1q84 h PRO 537 Ca 0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1q84 h PRO 537 Cb 0.40 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1q84 h PRO 537 CO -0.34 0.18 0.00 1.63 -0.21 0.00 0.00 178.00 179.26 1q84 n LYS 538 N -5.13 0.15 -1.15 1.05 5.02 -0.56 -1.18 118.16 116.36 1q84 n LYS 538 Ca 0.12 0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 56.78 1q84 n LYS 538 Cb 0.41 -1.92 0.18 0.00 -0.02 0.00 0.00 35.03 33.67 1q84 n LYS 538 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1q84 n LEU 539 N -2.23 6.49 0.00 -0.35 7.94 0.27 -3.77 117.00 125.35 1q84 n LEU 539 Ca -0.00 -3.46 0.00 0.00 -1.11 0.00 0.00 56.01 51.44 1q84 n LEU 539 Cb 0.08 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1q84 n LEU 539 CO 0.12 1.00 -0.13 0.00 -1.11 0.00 0.00 177.39 177.27 1q84 n LEU 540 N -0.98 0.00 -0.01 -1.96 -0.00 -0.33 -4.82 117.00 108.90 1q84 n LEU 540 Ca 0.55 -0.29 0.16 0.00 -0.00 0.00 0.00 56.01 56.43 1q84 n LEU 540 Cb 1.59 0.00 0.94 0.00 -0.00 0.00 0.00 43.42 45.95 1q84 n LEU 540 CO 0.56 0.00 1.10 -1.20 -0.00 0.00 0.00 177.39 177.86