#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s ARG 2 N 0.00 2.70 0.42 1.61 0.52 -0.70 -5.07 118.95 118.43 1q82 s ARG 2 Ca 0.00 -1.34 -0.26 0.00 -0.52 0.00 0.00 55.73 53.61 1q82 s ARG 2 Cb 0.00 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 1q82 s ARG 2 CO 0.00 -0.03 1.30 1.03 0.02 0.00 0.00 175.30 177.63 1q82 s ARG 3 N -4.08 3.90 0.88 3.54 1.81 -1.26 -4.81 118.95 118.94 1q82 s ARG 3 Ca 0.45 2.15 -0.14 0.00 -1.72 0.00 0.00 55.73 56.47 1q82 s ARG 3 Cb -0.06 -2.71 0.14 0.00 -0.45 0.00 0.00 34.95 31.87 1q82 s ARG 3 CO 0.28 -0.54 1.23 0.96 -0.68 0.00 0.00 175.30 176.55 1q82 s ILE 4 N -1.28 1.99 0.28 1.52 -4.36 -1.26 -4.89 121.20 113.20 1q82 s ILE 4 Ca 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.95 1q82 s ILE 4 Cb -0.38 -2.97 0.18 0.00 1.25 0.00 0.00 42.46 40.54 1q82 s ILE 4 CO 0.48 0.00 1.86 -0.61 0.24 0.00 0.00 174.94 176.91 1q82 h GLN 5 N -1.35 0.91 0.00 0.37 4.15 -1.95 -2.25 115.11 114.99 1q82 h GLN 5 Ca -0.46 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1q82 h GLN 5 Cb 1.29 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1q82 h GLN 5 CO 0.54 0.76 0.00 0.78 -1.93 0.00 0.00 178.83 178.97 1q82 h GLY 6 N 1.00 0.00 0.94 2.39 0.00 -1.99 0.18 103.07 105.59 1q82 h GLY 6 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.23 1q82 h GLY 6 CO -0.02 0.00 -1.74 1.46 0.00 0.00 0.00 176.54 176.24 1q82 h GLN 7 N 0.00 0.09 -0.50 4.80 4.20 -1.78 -3.32 115.11 118.60 1q82 h GLN 7 Ca 0.00 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1q82 h GLN 7 Cb 0.06 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1q82 h GLN 7 CO 0.00 0.76 0.31 0.00 -0.67 0.00 0.00 178.83 179.23 1q82 h ARG 8 N 0.03 0.68 -0.34 1.46 -0.00 -0.83 -3.08 114.38 112.28 1q82 h ARG 8 Ca -0.31 -0.05 0.04 0.00 -0.50 0.00 0.00 59.98 59.16 1q82 h ARG 8 Cb 2.01 -0.15 -0.07 0.00 0.00 0.00 0.00 29.97 31.76 1q82 h ARG 8 CO 0.09 0.48 -0.52 0.00 0.00 0.00 0.00 179.97 180.02 1q82 h ARG 9 N 0.68 -0.38 -1.49 0.04 3.08 -1.40 -2.30 114.38 112.61 1q82 h ARG 9 Ca 0.18 0.03 0.48 0.00 0.07 0.00 0.00 59.98 60.74 1q82 h ARG 9 Cb -0.03 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 29.99 1q82 h ARG 9 CO -0.04 -0.25 1.01 0.41 -1.07 0.00 0.00 179.97 180.03 1q82 n GLY 10 N -1.36 -0.84 0.09 0.04 0.00 -1.16 0.00 105.19 101.97 1q82 n GLY 10 Ca -0.04 0.69 0.09 0.00 0.00 0.00 0.00 46.02 46.76 1q82 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 n ARG 11 N -4.30 0.11 -3.51 1.61 1.74 -0.86 -4.89 116.66 106.55 1q82 n ARG 11 Ca 0.39 0.45 -0.24 0.00 -0.77 0.00 0.00 57.85 57.68 1q82 n ARG 11 Cb 1.62 -1.76 0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1q82 n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 12 N -0.56 -0.54 3.86 -0.13 0.00 0.10 -5.01 105.19 102.91 1q82 n GLY 12 Ca 0.01 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1q82 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q82 s THR 13 N -3.29 1.94 0.14 2.61 -4.23 -1.26 -4.76 115.64 106.79 1q82 s THR 13 Ca 0.54 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.79 1q82 s THR 13 Cb -0.24 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 1q82 s THR 13 CO 0.67 0.00 1.59 -1.28 -0.54 0.00 0.00 174.62 175.06 1q82 h SER 14 N -1.66 -1.23 -1.03 3.99 0.87 -1.96 -1.83 113.55 110.70 1q82 h SER 14 Ca -0.45 0.18 0.30 0.00 -1.23 0.00 0.00 61.79 60.59 1q82 h SER 14 Cb 1.27 0.53 -0.04 0.00 -0.44 0.00 0.00 62.40 63.71 1q82 h SER 14 CO 0.45 -0.38 0.84 0.74 -0.53 0.00 0.00 176.83 177.95 1q82 h THR 15 N -0.39 0.32 0.00 2.23 2.02 -2.01 -1.80 112.91 113.28 1q82 h THR 15 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1q82 h THR 15 Cb 0.58 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1q82 h THR 15 CO -0.46 0.00 -1.03 0.49 0.37 0.00 0.00 175.52 174.89 1q82 n PHE 16 N -3.92 0.00 -1.41 3.16 3.01 -0.73 -4.35 117.46 113.22 1q82 n PHE 16 Ca 0.22 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.39 1q82 n PHE 16 Cb 1.19 -0.10 0.14 0.00 -0.01 0.00 0.00 39.48 40.69 1q82 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1q82 s ARG 17 N -2.69 1.14 -0.09 -1.08 0.52 -0.68 -3.99 118.95 112.07 1q82 s ARG 17 Ca 0.03 0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 55.60 1q82 s ARG 17 Cb 0.12 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.72 1q82 s ARG 17 CO 0.67 -2.24 0.25 0.00 0.02 0.00 0.00 175.30 174.01 1q82 s ALA 18 N -3.14 3.77 -0.64 2.13 0.00 -1.26 -4.21 121.76 118.41 1q82 s ALA 18 Ca 0.64 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1q82 s ALA 18 Cb -0.16 -2.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 1q82 s ALA 18 CO 0.55 0.48 1.80 -0.35 0.00 0.00 0.00 175.76 178.24 1q82 n PRO 19 N 2.22 1.42 -0.31 0.00 -0.04 -1.26 -4.65 135.00 132.39 1q82 n PRO 19 Ca -0.17 -1.27 0.15 0.00 -0.04 0.00 0.00 63.50 62.17 1q82 n PRO 19 Cb 0.54 -2.42 0.33 0.00 -0.04 0.00 0.00 33.50 31.90 1q82 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1q82 h SER 20 N 7.12 0.06 0.00 3.54 0.02 -1.97 -0.29 113.55 122.03 1q82 h SER 20 Ca 0.36 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1q82 h SER 20 Cb 0.23 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1q82 h SER 20 CO 1.45 -0.17 0.07 1.12 -1.14 0.00 0.00 176.83 178.16 1q82 h HIS 21 N 0.21 0.00 -0.01 3.45 2.07 -2.05 0.24 115.15 119.06 1q82 h HIS 21 Ca 0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.11 1q82 h HIS 21 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1q82 h HIS 21 CO -0.23 0.00 -0.40 0.54 -3.07 0.00 0.00 177.93 174.77 1q82 n ARG 22 N -3.02 0.95 -2.55 5.12 1.74 -0.12 -4.94 116.66 113.84 1q82 n ARG 22 Ca -0.03 -0.69 -0.32 0.00 -0.77 0.00 0.00 57.85 56.04 1q82 n ARG 22 Cb 0.14 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 1q82 n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1q82 s TYR 23 N -2.53 3.40 -0.05 -1.55 4.12 0.83 -4.91 117.35 116.66 1q82 s TYR 23 Ca 0.21 1.51 -0.02 0.00 0.02 0.00 0.00 57.07 58.79 1q82 s TYR 23 Cb 0.19 -2.81 -0.01 0.00 -1.52 0.00 0.00 41.96 37.81 1q82 s TYR 23 CO 0.56 -0.28 -0.03 0.87 0.02 0.00 0.00 175.55 176.70 1q82 h LYS 24 N 1.27 0.00 -3.57 -0.62 1.57 -1.92 -3.50 116.57 109.79 1q82 h LYS 24 Ca -0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 1q82 h LYS 24 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1q82 h LYS 24 CO 0.61 0.00 -0.31 0.00 -0.57 0.00 0.00 179.45 179.19 1q82 s ALA 25 N -2.84 -0.46 -0.65 3.86 0.00 -1.26 -5.09 121.76 115.32 1q82 s ALA 25 Ca -0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1q82 s ALA 25 Cb 0.00 0.42 0.11 0.00 0.00 0.00 0.00 23.12 23.66 1q82 s ALA 25 CO 0.04 -0.47 0.80 0.34 0.00 0.00 0.00 175.76 176.47 1q82 s ASP 26 N -2.48 6.26 -0.08 0.00 -1.08 -1.26 -5.00 116.67 113.03 1q82 s ASP 26 Ca -0.00 -1.50 -0.30 0.00 -0.52 0.00 0.00 52.55 50.23 1q82 s ASP 26 Cb 0.02 -2.33 -0.05 0.00 -1.46 0.00 0.00 42.92 39.10 1q82 s ASP 26 CO -0.08 -1.14 1.68 -0.76 0.52 0.00 0.00 175.17 175.40 1q82 s LEU 27 N 2.78 4.24 -0.03 -1.34 1.43 -1.26 -4.97 118.68 119.53 1q82 s LEU 27 Ca 0.16 2.16 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 1q82 s LEU 27 Cb -0.20 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1q82 s LEU 27 CO 0.04 -1.01 0.30 -1.61 0.23 0.00 0.00 176.35 174.30 1q82 s GLU 28 N 4.22 0.61 0.56 1.70 2.02 -1.26 -4.94 118.70 121.60 1q82 s GLU 28 Ca 0.75 -0.10 -0.20 0.00 0.02 0.00 0.00 54.97 55.44 1q82 s GLU 28 Cb -0.32 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.13 1q82 s GLU 28 CO 0.30 -0.16 1.20 -1.01 0.02 0.00 0.00 175.26 175.61 1q82 s HIS 29 N -1.09 2.51 0.57 1.61 3.76 -0.87 -4.95 115.29 116.83 1q82 s HIS 29 Ca -0.11 1.51 -0.17 0.00 -0.15 0.00 0.00 55.06 56.14 1q82 s HIS 29 Cb -0.05 -3.46 -0.05 0.00 1.11 0.00 0.00 32.58 30.14 1q82 s HIS 29 CO 0.03 -2.04 1.07 1.03 -0.85 0.00 0.00 174.74 173.99 1q82 s ARG 30 N -3.19 3.36 -0.08 1.40 0.52 -1.26 -4.80 118.95 114.90 1q82 s ARG 30 Ca 0.74 1.32 -0.18 0.00 -0.52 0.00 0.00 55.73 57.10 1q82 s ARG 30 Cb -0.30 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 1q82 s ARG 30 CO 0.33 -0.79 0.47 0.15 0.02 0.00 0.00 175.30 175.48 1q82 s LYS 31 N -3.77 4.25 -0.08 3.54 1.02 -1.26 -5.07 119.74 118.37 1q82 s LYS 31 Ca 0.66 0.46 0.02 0.00 0.02 0.00 0.00 55.97 57.14 1q82 s LYS 31 Cb -0.18 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1q82 s LYS 31 CO 0.32 0.30 -0.14 0.08 -0.92 0.00 0.00 175.35 174.99 1q82 s VAL 32 N 0.15 1.35 0.19 3.17 1.01 -1.26 -5.01 120.40 120.00 1q82 s VAL 32 Ca 0.26 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1q82 s VAL 32 Cb -0.16 -1.23 0.15 0.00 0.00 0.00 0.00 36.38 35.15 1q82 s VAL 32 CO 0.12 0.41 1.63 -0.33 0.00 0.00 0.00 175.10 176.92 1q82 h GLU 33 N 7.13 -0.07 0.00 2.72 3.07 -2.00 -3.47 114.58 121.96 1q82 h GLU 33 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1q82 h GLU 33 Cb 1.19 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1q82 h GLU 33 CO 0.47 -0.04 0.00 -3.47 -1.40 0.00 0.00 179.01 174.57 1q82 n ASP 34 N -5.39 0.00 0.00 1.42 -0.08 -1.26 -5.05 116.55 106.19 1q82 n ASP 34 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1q82 n ASP 34 Cb 0.30 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1q82 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q82 n GLY 35 N -1.03 2.55 2.30 0.27 0.00 -1.26 -4.50 105.19 103.52 1q82 n GLY 35 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1q82 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q82 n ASP 36 N 1.36 0.00 -0.24 1.61 2.03 -1.26 -4.49 116.55 115.56 1q82 n ASP 36 Ca 0.00 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.53 1q82 n ASP 36 Cb 0.00 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 40.80 1q82 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1q82 n VAL 37 N -2.00 -0.23 -1.71 5.18 0.24 -1.26 -4.34 118.33 114.20 1q82 n VAL 37 Ca 0.00 1.25 -0.60 0.00 -2.04 0.00 0.00 64.34 62.95 1q82 n VAL 37 Cb 0.00 -2.04 -0.08 0.00 -1.47 0.00 0.00 33.84 30.25 1q82 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1q82 n ILE 38 N -4.29 0.22 -4.01 1.34 2.08 -1.26 -4.90 119.36 108.54 1q82 n ILE 38 Ca 0.25 -0.04 -0.09 0.00 0.56 0.00 0.00 62.75 63.42 1q82 n ILE 38 Cb 0.88 -1.04 -0.08 0.00 -0.75 0.00 0.00 39.64 38.66 1q82 n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q82 s ALA 39 N 3.53 0.25 0.35 -1.39 0.00 -1.26 -1.30 121.76 121.93 1q82 s ALA 39 Ca 1.01 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1q82 s ALA 39 Cb -1.19 0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1q82 s ALA 39 CO 0.70 -0.56 0.79 0.20 0.00 0.00 0.00 175.76 176.89 1q82 s GLY 40 N -2.97 0.25 0.03 0.00 0.00 -0.81 -1.71 107.32 102.10 1q82 s GLY 40 Ca 0.16 -0.63 0.08 0.00 0.00 0.00 0.00 44.72 44.34 1q82 s GLY 40 CO -0.02 -0.15 -0.23 -1.59 0.00 0.00 0.00 173.10 171.11 1q82 s THR 41 N -2.66 1.86 -0.68 0.90 2.01 0.15 -1.84 115.64 115.38 1q82 s THR 41 Ca 0.15 -1.19 -0.27 0.00 0.31 0.00 0.00 61.69 60.69 1q82 s THR 41 Cb -0.05 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 1q82 s THR 41 CO 0.10 0.35 1.66 -0.69 -0.69 0.00 0.00 174.62 175.35 1q82 s VAL 42 N -0.72 3.50 -0.18 3.82 1.01 -0.15 -0.78 120.40 126.89 1q82 s VAL 42 Ca 0.09 0.23 0.16 0.00 0.00 0.00 0.00 61.98 62.46 1q82 s VAL 42 Cb -0.09 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.03 1q82 s VAL 42 CO 0.01 -1.26 1.33 0.58 0.00 0.00 0.00 175.10 175.76 1q82 h VAL 43 N 6.61 0.68 -1.44 2.92 2.07 -1.60 0.20 116.25 125.69 1q82 h VAL 43 Ca -0.24 -2.01 0.27 0.00 0.82 0.00 0.00 66.70 65.54 1q82 h VAL 43 Cb 1.11 2.27 -0.18 0.00 -1.52 0.00 0.00 31.29 32.98 1q82 h VAL 43 CO 1.24 0.39 0.83 -0.62 0.02 0.00 0.00 177.57 179.43 1q82 s ASP 44 N -6.27 -0.11 -0.21 0.57 2.15 -1.18 -4.89 116.67 106.74 1q82 s ASP 44 Ca 0.03 -0.02 0.01 0.00 0.43 0.00 0.00 52.55 52.99 1q82 s ASP 44 Cb 0.08 0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.86 1q82 s ASP 44 CO 0.75 -0.23 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.74 1q82 s ILE 45 N -2.39 2.30 0.42 4.11 -1.09 -1.26 0.33 121.20 123.62 1q82 s ILE 45 Ca 0.10 -1.02 0.07 0.00 -2.23 0.00 0.00 60.65 57.57 1q82 s ILE 45 Cb 0.00 -2.07 -0.07 0.00 -1.58 0.00 0.00 42.46 38.75 1q82 s ILE 45 CO -0.04 0.39 0.07 -1.61 -1.23 0.00 0.00 174.94 172.52 1q82 s GLU 46 N 1.28 2.05 -0.08 2.79 2.02 0.92 -4.92 118.70 122.77 1q82 s GLU 46 Ca 0.02 -2.04 -0.15 0.00 0.02 0.00 0.00 54.97 52.82 1q82 s GLU 46 Cb -0.15 -1.75 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 1q82 s GLU 46 CO -0.10 -0.09 0.38 -1.58 0.02 0.00 0.00 175.26 173.89 1q82 s HIS 47 N -2.68 3.60 -0.39 1.61 5.65 -1.26 0.84 115.29 122.65 1q82 s HIS 47 Ca 0.36 0.83 -0.13 0.00 0.25 0.00 0.00 55.06 56.36 1q82 s HIS 47 Cb 0.08 -2.34 0.02 0.00 -1.18 0.00 0.00 32.58 29.15 1q82 s HIS 47 CO 0.19 0.43 0.26 0.34 -0.65 0.00 0.00 174.74 175.31 1q82 s ASP 48 N -0.26 5.97 0.60 9.88 -1.08 -0.50 -4.85 116.67 126.42 1q82 s ASP 48 Ca 0.22 -0.89 0.39 0.00 -0.52 0.00 0.00 52.55 51.75 1q82 s ASP 48 Cb -0.15 -2.11 1.97 0.00 -1.46 0.00 0.00 42.92 41.18 1q82 s ASP 48 CO 0.09 -0.41 2.19 -0.65 0.52 0.00 0.00 175.17 176.92 1q82 h PRO 49 N 8.55 0.00 0.00 4.34 0.11 -1.91 0.12 132.00 143.21 1q82 h PRO 49 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1q82 h PRO 49 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1q82 h PRO 49 CO 0.70 0.00 -0.99 0.00 -0.21 0.00 0.00 178.00 177.50 1q82 n ALA 50 N -2.06 2.60 -0.47 -0.75 0.00 -1.26 -4.46 120.51 114.11 1q82 n ALA 50 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1q82 n ALA 50 Cb 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1q82 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q82 n ARG 51 N -2.59 0.76 -1.58 0.00 1.74 -0.82 -4.99 116.66 109.18 1q82 n ARG 51 Ca 0.00 -0.73 -0.10 0.00 -0.77 0.00 0.00 57.85 56.25 1q82 n ARG 51 Cb 0.54 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 31.17 1q82 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q82 n SER 52 N -0.16 -2.92 -4.35 0.55 7.64 0.35 -4.75 113.62 109.98 1q82 n SER 52 Ca 0.00 0.25 -0.18 0.00 1.01 0.00 0.00 58.87 59.95 1q82 n SER 52 Cb 0.27 -2.75 -0.10 0.00 -1.01 0.00 0.00 64.21 60.62 1q82 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q82 s ALA 53 N -2.04 2.00 0.61 -0.43 0.00 -1.24 -4.94 121.76 115.72 1q82 s ALA 53 Ca 0.00 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.11 1q82 s ALA 53 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1q82 s ALA 53 CO 0.00 0.02 1.09 -1.25 0.00 0.00 0.00 175.76 175.61 1q82 s PRO 54 N -3.68 3.14 0.01 0.00 0.04 -1.26 -1.41 135.00 131.84 1q82 s PRO 54 Ca 0.23 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1q82 s PRO 54 Cb 0.01 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1q82 s PRO 54 CO 0.07 -0.97 -0.02 0.54 0.04 0.00 0.00 177.00 176.65 1q82 s VAL 55 N -2.28 0.13 -0.15 -0.36 0.11 0.25 -4.19 120.40 113.90 1q82 s VAL 55 Ca 0.66 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1q82 s VAL 55 Cb -0.19 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1q82 s VAL 55 CO 0.36 -0.19 0.06 0.00 -3.33 0.00 0.00 175.10 172.01 1q82 s ALA 56 N -0.62 3.48 -0.07 1.54 0.00 -0.25 -0.05 121.76 125.79 1q82 s ALA 56 Ca -0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 1q82 s ALA 56 Cb -0.04 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1q82 s ALA 56 CO -0.00 0.37 0.66 0.00 0.00 0.00 0.00 175.76 176.79 1q82 s ALA 57 N -0.22 3.36 0.05 0.00 0.00 0.15 0.95 121.76 126.05 1q82 s ALA 57 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1q82 s ALA 57 Cb -0.12 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1q82 s ALA 57 CO 0.01 -0.07 -0.14 0.08 0.00 0.00 0.00 175.76 175.64 1q82 s VAL 58 N 0.71 1.10 -0.30 0.00 1.01 -0.72 -1.47 120.40 120.73 1q82 s VAL 58 Ca 0.35 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1q82 s VAL 58 Cb -0.17 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1q82 s VAL 58 CO 0.17 -0.06 -0.00 -1.61 0.00 0.00 0.00 175.10 173.60 1q82 s GLU 59 N -1.29 2.40 0.56 2.72 2.02 0.04 -1.79 118.70 123.36 1q82 s GLU 59 Ca 0.01 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 53.62 1q82 s GLU 59 Cb -0.08 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1q82 s GLU 59 CO 0.01 -0.63 0.93 -0.06 0.02 0.00 0.00 175.26 175.53 1q82 s PHE 60 N 1.24 3.60 0.15 1.61 0.40 0.17 -0.67 117.98 124.48 1q82 s PHE 60 Ca -0.05 1.10 -0.23 0.00 -0.60 0.00 0.00 56.93 57.15 1q82 s PHE 60 Cb -0.20 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.81 1q82 s PHE 60 CO -0.01 -0.51 1.63 0.93 0.70 0.00 0.00 175.22 177.96 1q82 h GLU 61 N -0.04 -0.24 -1.38 0.44 5.08 -1.63 -1.82 114.58 114.98 1q82 h GLU 61 Ca -0.45 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1q82 h GLU 61 Cb 1.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1q82 h GLU 61 CO 0.62 -0.16 0.00 -0.40 -1.00 0.00 0.00 179.01 178.07 1q82 n ASP 62 N -5.37 1.38 0.00 1.42 5.75 -1.26 -4.75 116.55 113.71 1q82 n ASP 62 Ca -0.01 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1q82 n ASP 62 Cb 0.29 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1q82 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q82 n GLY 63 N 0.69 2.84 3.70 6.12 0.00 -0.68 -4.99 105.19 112.86 1q82 n GLY 63 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1q82 n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 64 N 0.36 3.74 -4.18 1.61 8.00 -1.25 -4.69 116.55 120.13 1q82 n ASP 64 Ca 0.00 1.05 -0.34 0.00 0.71 0.00 0.00 54.79 56.21 1q82 n ASP 64 Cb 0.00 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.43 1q82 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q82 s ARG 65 N 1.45 2.84 -0.01 -1.24 6.06 -1.26 0.46 118.95 127.25 1q82 s ARG 65 Ca 0.78 -0.97 -0.06 0.00 -2.50 0.00 0.00 55.73 52.98 1q82 s ARG 65 Cb -0.55 -2.92 0.00 0.00 0.06 0.00 0.00 34.95 31.53 1q82 s ARG 65 CO 0.35 -0.38 0.12 1.03 -2.50 0.00 0.00 175.30 173.92 1q82 s ARG 66 N 1.31 0.39 0.54 5.12 0.52 -0.74 -5.00 118.95 121.09 1q82 s ARG 66 Ca 0.00 -0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 54.77 1q82 s ARG 66 Cb -0.16 0.16 -0.06 0.00 0.52 0.00 0.00 34.95 35.40 1q82 s ARG 66 CO -0.06 -0.08 1.01 -0.51 0.02 0.00 0.00 175.30 175.68 1q82 s LEU 67 N -1.04 3.58 -0.01 2.53 1.43 -1.26 -1.75 118.68 122.16 1q82 s LEU 67 Ca -0.11 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1q82 s LEU 67 Cb -0.06 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.65 1q82 s LEU 67 CO 0.01 -0.81 0.01 -0.63 0.23 0.00 0.00 176.35 175.16 1q82 s ILE 68 N -2.54 -0.01 -0.47 -0.59 1.01 0.27 -4.74 121.20 114.11 1q82 s ILE 68 Ca 0.61 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 61.04 1q82 s ILE 68 Cb -0.12 -0.03 -0.09 0.00 0.01 0.00 0.00 42.46 42.22 1q82 s ILE 68 CO 0.33 0.03 2.38 -0.11 0.00 0.00 0.00 174.94 177.57 1q82 n LEU 69 N 3.40 2.25 -4.65 2.97 7.94 -1.26 -1.09 117.00 126.56 1q82 n LEU 69 Ca -0.17 -0.16 -0.43 0.00 -1.11 0.00 0.00 56.01 54.14 1q82 n LEU 69 Cb 0.57 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 1q82 n LEU 69 CO 0.25 -1.18 0.91 0.00 -1.11 0.00 0.00 177.39 176.25 1q82 s ALA 70 N 10.40 3.59 0.76 1.96 0.00 -1.26 -4.89 121.76 132.33 1q82 s ALA 70 Ca 1.05 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 1q82 s ALA 70 Cb -0.43 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.16 1q82 s ALA 70 CO 0.34 -1.25 1.13 -2.14 0.00 0.00 0.00 175.76 173.84 1q82 s PRO 71 N 3.38 2.33 0.45 0.00 0.02 -1.26 -2.26 135.00 137.66 1q82 s PRO 71 Ca 0.44 0.21 -0.24 0.00 0.02 0.00 0.00 61.00 61.42 1q82 s PRO 71 Cb -0.14 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1q82 s PRO 71 CO 0.11 -1.34 1.29 -2.00 -0.33 0.00 0.00 177.00 174.72 1q82 s GLU 72 N -5.46 3.73 0.00 5.54 2.12 0.24 -3.48 118.70 121.38 1q82 s GLU 72 Ca 0.60 2.09 0.00 0.00 0.36 0.00 0.00 54.97 58.02 1q82 s GLU 72 Cb -0.11 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.72 1q82 s GLU 72 CO 0.50 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1q82 n GLY 73 N 0.62 0.72 3.72 -1.50 0.00 -1.26 -4.81 105.19 102.68 1q82 n GLY 73 Ca 0.06 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1q82 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 74 N -2.00 5.37 0.51 1.61 1.01 -1.23 -5.06 120.40 120.62 1q82 s VAL 74 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1q82 s VAL 74 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1q82 s VAL 74 CO 0.00 0.41 0.03 0.61 0.00 0.00 0.00 175.10 176.14 1q82 n GLY 75 N 3.58 3.48 3.74 4.51 0.00 -1.26 -5.04 105.19 114.20 1q82 n GLY 75 Ca -0.14 -2.33 -0.41 0.00 0.00 0.00 0.00 46.02 43.13 1q82 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 76 N -2.95 3.65 0.00 1.61 1.01 -1.26 -3.29 120.40 119.16 1q82 s VAL 76 Ca 0.04 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1q82 s VAL 76 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1q82 s VAL 76 CO 0.03 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1q82 n GLY 77 N 2.27 2.47 3.44 4.51 0.00 0.69 -5.00 105.19 113.56 1q82 n GLY 77 Ca 0.05 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1q82 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 78 N 0.28 -1.48 -4.29 1.61 9.92 -1.21 -4.51 116.55 116.87 1q82 n ASP 78 Ca 0.00 0.60 -0.33 0.00 -0.53 0.00 0.00 54.79 54.53 1q82 n ASP 78 Cb 0.00 -1.17 -0.15 0.00 -0.64 0.00 0.00 41.12 39.16 1q82 n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1q82 s GLU 79 N -2.52 3.24 0.28 -1.24 2.12 -1.26 -0.98 118.70 118.34 1q82 s GLU 79 Ca 0.65 -0.74 0.08 0.00 0.36 0.00 0.00 54.97 55.32 1q82 s GLU 79 Cb -0.37 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1q82 s GLU 79 CO 0.59 0.07 0.11 -0.51 -0.54 0.00 0.00 175.26 174.98 1q82 s LEU 80 N 0.69 3.45 -0.00 2.70 1.43 -0.77 -4.96 118.68 121.22 1q82 s LEU 80 Ca -0.07 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1q82 s LEU 80 Cb -0.16 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1q82 s LEU 80 CO 0.02 -0.09 0.02 -1.10 0.23 0.00 0.00 176.35 175.43 1q82 s GLN 81 N -3.78 0.12 -0.12 1.70 -0.21 -1.26 -1.93 119.66 114.17 1q82 s GLN 81 Ca 0.34 -0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.59 1q82 s GLN 81 Cb -0.06 0.05 0.02 0.00 1.00 0.00 0.00 33.01 34.01 1q82 s GLN 81 CO 0.23 -0.02 -0.12 0.08 -2.12 0.00 0.00 175.29 173.33 1q82 s VAL 82 N -0.40 1.35 0.00 1.09 1.01 -0.42 -2.14 120.40 120.88 1q82 s VAL 82 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1q82 s VAL 82 Cb -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1q82 s VAL 82 CO -0.00 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1q82 n GLY 83 N 4.60 2.71 0.36 4.51 0.00 -0.79 -4.12 105.19 112.46 1q82 n GLY 83 Ca -0.17 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 44.82 1q82 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q82 h VAL 84 N 1.00 0.94 -0.61 1.61 2.07 -1.86 -0.49 116.25 118.91 1q82 h VAL 84 Ca 0.00 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1q82 h VAL 84 Cb 0.00 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 1q82 h VAL 84 CO 0.00 0.12 0.15 0.47 0.02 0.00 0.00 177.57 178.33 1q82 n ASP 85 N -4.50 4.79 -4.77 0.57 8.00 -1.26 -4.90 116.55 114.49 1q82 n ASP 85 Ca 0.12 -2.98 -0.39 0.00 0.71 0.00 0.00 54.79 52.26 1q82 n ASP 85 Cb 0.33 -0.70 -0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1q82 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q82 s ALA 86 N -2.65 3.10 1.24 2.24 0.00 -0.19 -4.98 121.76 120.52 1q82 s ALA 86 Ca 0.49 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 1q82 s ALA 86 Cb 0.38 -3.46 0.32 0.00 0.00 0.00 0.00 23.12 20.36 1q82 s ALA 86 CO 0.13 -0.84 1.00 -2.00 0.00 0.00 0.00 175.76 174.05 1q82 s GLU 87 N -2.47 -1.54 -0.88 0.00 2.12 -1.26 -4.93 118.70 109.74 1q82 s GLU 87 Ca 0.61 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.64 1q82 s GLU 87 Cb -0.35 -1.49 0.30 0.00 0.26 0.00 0.00 34.13 32.84 1q82 s GLU 87 CO 0.44 -4.10 1.25 -0.89 -0.54 0.00 0.00 175.26 171.41 1q82 n ILE 88 N -5.17 4.28 -4.40 -3.70 5.41 -1.26 -4.91 119.36 109.62 1q82 n ILE 88 Ca 0.04 -5.69 -0.24 0.00 1.00 0.00 0.00 62.75 57.86 1q82 n ILE 88 Cb 0.55 -1.93 -0.11 0.00 -0.71 0.00 0.00 39.64 37.44 1q82 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q82 s ALA 89 N -3.01 2.39 0.47 -1.39 0.00 -1.26 -5.10 121.76 113.85 1q82 s ALA 89 Ca 0.37 -1.65 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 1q82 s ALA 89 Cb 0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1q82 s ALA 89 CO 0.01 0.31 1.04 -2.30 0.00 0.00 0.00 175.76 174.82 1q82 n PRO 90 N 0.04 1.34 0.00 0.00 -0.02 -1.26 -2.26 135.00 132.84 1q82 n PRO 90 Ca -0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1q82 n PRO 90 Cb 0.57 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1q82 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q82 n GLY 91 N 1.15 2.99 3.88 -1.23 0.00 -0.64 -4.98 105.19 106.36 1q82 n GLY 91 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1q82 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q82 s ASN 92 N -1.24 6.61 -0.07 1.61 -0.87 -0.96 -4.66 114.94 115.36 1q82 s ASN 92 Ca 0.00 0.84 0.05 0.00 -1.57 0.00 0.00 52.86 52.17 1q82 s ASN 92 Cb 0.00 -2.19 -0.01 0.00 -0.02 0.00 0.00 41.25 39.02 1q82 s ASN 92 CO 0.00 -0.01 -0.21 -0.89 -2.57 0.00 0.00 177.10 173.42 1q82 s THR 93 N -1.71 2.40 -0.07 1.60 2.01 -0.91 -1.83 115.64 117.13 1q82 s THR 93 Ca 0.44 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1q82 s THR 93 Cb -0.12 -1.91 0.10 0.00 0.01 0.00 0.00 72.50 70.58 1q82 s THR 93 CO 0.22 0.57 0.83 -1.48 -0.69 0.00 0.00 174.62 174.06 1q82 s LEU 94 N -0.20 -0.50 0.42 4.42 2.34 -0.82 -1.89 118.68 122.46 1q82 s LEU 94 Ca -0.02 0.42 -0.24 0.00 0.06 0.00 0.00 54.13 54.36 1q82 s LEU 94 Cb -0.13 2.21 -0.11 0.00 -0.56 0.00 0.00 46.19 47.60 1q82 s LEU 94 CO 0.03 -0.54 0.94 -0.81 -1.06 0.00 0.00 176.35 174.91 1q82 n PRO 95 N 0.55 1.20 -0.30 1.48 -0.04 -1.26 -2.40 135.00 134.24 1q82 n PRO 95 Ca -0.14 0.43 0.34 0.00 -0.04 0.00 0.00 63.50 64.10 1q82 n PRO 95 Cb 0.59 -1.96 0.74 0.00 -0.04 0.00 0.00 33.50 32.83 1q82 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1q82 h LEU 96 N 1.38 0.00 -0.27 1.53 3.38 -0.78 -0.64 115.31 119.91 1q82 h LEU 96 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1q82 h LEU 96 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1q82 h LEU 96 CO 0.56 0.00 0.12 0.00 0.09 0.00 0.00 178.44 179.21 1q82 h ALA 97 N 1.35 0.34 0.00 1.53 0.00 -1.52 -2.50 119.26 118.46 1q82 h ALA 97 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1q82 h ALA 97 Cb 2.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1q82 h ALA 97 CO -0.01 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1q82 n GLU 98 N -4.79 0.13 -3.19 0.00 -0.58 -0.26 -4.76 120.64 107.19 1q82 n GLU 98 Ca -0.02 0.13 -0.39 0.00 -0.42 0.00 0.00 57.16 56.46 1q82 n GLU 98 Cb 0.11 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 1q82 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1q82 s ILE 99 N -2.80 5.00 0.16 -3.67 -1.09 -0.94 -5.04 121.20 112.82 1q82 s ILE 99 Ca 0.14 1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 59.49 1q82 s ILE 99 Cb 0.13 -3.93 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 1q82 s ILE 99 CO 0.33 0.36 1.21 -2.16 -1.23 0.00 0.00 174.94 173.45 1q82 s PRO 100 N 0.21 4.47 0.72 2.79 0.04 -1.26 -4.99 135.00 136.98 1q82 s PRO 100 Ca 0.32 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1q82 s PRO 100 Cb -0.17 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1q82 s PRO 100 CO 0.16 -0.14 0.96 0.39 0.04 0.00 0.00 177.00 178.40 1q82 n GLU 101 N 2.88 0.51 -0.37 4.56 1.02 -1.26 -2.90 120.64 125.07 1q82 n GLU 101 Ca 0.06 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1q82 n GLU 101 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1q82 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q82 n GLY 102 N 1.11 1.06 3.87 0.62 0.00 0.02 -5.03 105.19 106.83 1q82 n GLY 102 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1q82 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 103 N -2.92 5.37 0.03 1.61 1.01 -1.14 -4.93 120.40 119.43 1q82 s VAL 103 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1q82 s VAL 103 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1q82 s VAL 103 CO 0.00 0.61 1.21 -2.84 0.00 0.00 0.00 175.10 174.08 1q82 s PRO 104 N -1.04 4.41 0.11 2.72 0.02 -1.26 -3.05 135.00 136.90 1q82 s PRO 104 Ca 0.17 1.76 0.03 0.00 0.02 0.00 0.00 61.00 62.99 1q82 s PRO 104 Cb -0.13 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 1q82 s PRO 104 CO 0.07 -0.31 -0.09 0.08 -0.33 0.00 0.00 177.00 176.41 1q82 s VAL 105 N 1.37 0.93 0.13 3.83 1.01 -0.96 0.08 120.40 126.80 1q82 s VAL 105 Ca 0.58 -1.79 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1q82 s VAL 105 Cb -0.29 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1q82 s VAL 105 CO 0.28 -0.66 0.09 0.00 0.00 0.00 0.00 175.10 174.80 1q82 n ASN 107 N -0.10 -4.06 -4.81 0.00 5.15 0.43 -0.99 115.26 110.87 1q82 n ASN 107 Ca -0.06 -0.93 -0.36 0.00 -0.60 0.00 0.00 54.58 52.63 1q82 n ASN 107 Cb 0.63 -3.75 -0.06 0.00 -0.53 0.00 0.00 39.78 36.07 1q82 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1q82 s VAL 108 N -3.55 4.46 0.34 3.44 1.01 0.04 -4.09 120.40 122.05 1q82 s VAL 108 Ca 0.32 1.44 -0.20 0.00 0.00 0.00 0.00 61.98 63.54 1q82 s VAL 108 Cb -0.10 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1q82 s VAL 108 CO 0.84 0.16 0.84 -1.61 0.00 0.00 0.00 175.10 175.33 1q82 s GLU 109 N -2.06 4.21 0.03 2.72 2.02 -0.81 0.19 118.70 125.01 1q82 s GLU 109 Ca 0.46 0.96 0.00 0.00 0.02 0.00 0.00 54.97 56.41 1q82 s GLU 109 Cb -0.17 -2.48 -0.26 0.00 0.10 0.00 0.00 34.13 31.32 1q82 s GLU 109 CO 0.21 0.15 0.94 1.03 0.02 0.00 0.00 175.26 177.62 1q82 h SER 110 N 2.48 0.29 -3.53 -0.19 0.87 -1.92 -3.45 113.55 108.10 1q82 h SER 110 Ca -0.48 -0.39 -0.24 0.00 -1.23 0.00 0.00 61.79 59.46 1q82 h SER 110 Cb 1.18 -0.09 -0.31 0.00 -0.44 0.00 0.00 62.40 62.74 1q82 h SER 110 CO 0.64 1.32 -0.61 -0.94 -0.53 0.00 0.00 176.83 176.71 1q82 s SER 111 N -6.87 -0.10 -0.27 6.23 1.04 -1.26 -4.80 113.70 107.68 1q82 s SER 111 Ca -0.06 0.26 -0.38 0.00 0.48 0.00 0.00 55.95 56.25 1q82 s SER 111 Cb 0.07 0.18 -0.17 0.00 0.10 0.00 0.00 66.02 66.20 1q82 s SER 111 CO 0.85 -0.12 1.19 -0.81 0.98 0.00 0.00 173.24 175.33 1q82 n PRO 112 N 3.87 0.00 0.00 4.02 -0.04 -1.26 -1.75 135.00 139.84 1q82 n PRO 112 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1q82 n PRO 112 Cb 0.54 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1q82 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q82 n GLY 113 N 2.61 1.14 0.06 0.55 0.00 -1.26 -4.91 105.19 103.37 1q82 n GLY 113 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1q82 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q82 n ASP 114 N 0.00 0.28 0.00 1.61 5.68 -0.72 -4.88 116.55 118.52 1q82 n ASP 114 Ca 0.00 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 1q82 n ASP 114 Cb 0.00 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 1q82 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q82 n GLY 115 N -0.25 0.78 0.07 6.12 0.00 -1.26 -4.90 105.19 105.74 1q82 n GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1q82 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 116 N -2.39 0.16 0.71 -0.02 0.00 -1.26 -2.05 105.19 100.34 1q82 n GLY 116 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1q82 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q82 n LYS 117 N 2.12 0.00 -3.22 1.61 4.76 0.51 -4.86 118.16 119.08 1q82 n LYS 117 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1q82 n LYS 117 Cb 0.00 -0.57 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 1q82 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1q82 s PHE 118 N -1.85 3.52 -0.38 2.13 2.99 -0.31 -4.69 117.98 119.39 1q82 s PHE 118 Ca 0.00 1.18 -0.20 0.00 0.00 0.00 0.00 56.93 57.91 1q82 s PHE 118 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 43.02 40.57 1q82 s PHE 118 CO 0.00 0.27 0.49 0.00 -0.00 0.00 0.00 175.22 175.98 1q82 n ALA 119 N 0.26 -2.76 -0.72 5.36 0.00 -1.26 -0.78 120.51 120.62 1q82 n ALA 119 Ca -0.01 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1q82 n ALA 119 Cb 0.52 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1q82 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q82 n ARG 120 N 0.02 0.05 -2.42 0.00 1.74 -1.26 0.16 116.66 114.95 1q82 n ARG 120 Ca 0.03 -0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.79 1q82 n ARG 120 Cb 0.48 -0.48 0.03 0.00 -1.02 0.00 0.00 32.46 31.46 1q82 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q82 s ALA 121 N -0.02 3.31 -0.47 7.54 0.00 -1.26 -4.95 121.76 125.91 1q82 s ALA 121 Ca 0.00 -0.67 -0.46 0.00 0.00 0.00 0.00 51.96 50.83 1q82 s ALA 121 Cb 0.00 -2.60 -0.19 0.00 0.00 0.00 0.00 23.12 20.32 1q82 s ALA 121 CO 0.00 -0.75 1.67 0.43 0.00 0.00 0.00 175.76 177.11 1q82 n SER 122 N -2.55 1.32 -0.03 0.00 7.64 -1.26 -1.82 113.62 116.93 1q82 n SER 122 Ca 0.04 1.13 -0.00 0.00 1.01 0.00 0.00 58.87 61.04 1q82 n SER 122 Cb 0.57 -0.92 -0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1q82 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q82 n GLY 123 N 4.35 0.10 3.98 0.23 0.00 -0.69 -4.60 105.19 108.56 1q82 n GLY 123 Ca 0.33 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 1q82 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q82 s VAL 124 N -1.16 2.06 -0.23 1.61 -7.23 -0.76 -4.71 120.40 109.98 1q82 s VAL 124 Ca 0.00 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 1q82 s VAL 124 Cb 0.00 -2.60 0.16 0.00 0.56 0.00 0.00 36.38 34.50 1q82 s VAL 124 CO 0.00 0.00 1.21 0.54 -0.31 0.00 0.00 175.10 176.54 1q82 s ASN 125 N -4.81 -0.18 0.62 4.85 2.20 -1.26 -1.72 114.94 114.64 1q82 s ASN 125 Ca 0.69 0.19 0.02 0.00 -0.94 0.00 0.00 52.86 52.82 1q82 s ASN 125 Cb -0.04 0.14 0.08 0.00 -2.00 0.00 0.00 41.25 39.43 1q82 s ASN 125 CO 0.47 -0.16 0.86 0.00 -2.94 0.00 0.00 177.10 175.32 1q82 s ALA 126 N -1.08 3.97 -0.20 3.54 0.00 0.64 -3.92 121.76 124.72 1q82 s ALA 126 Ca 0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 50.34 1q82 s ALA 126 Cb -0.01 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.24 1q82 s ALA 126 CO -0.04 -1.04 0.03 -1.14 0.00 0.00 0.00 175.76 173.57 1q82 s GLN 127 N -4.88 0.73 -0.23 0.00 2.00 -0.09 -2.26 119.66 114.93 1q82 s GLN 127 Ca 0.62 -0.46 -0.29 0.00 -2.00 0.00 0.00 55.36 53.22 1q82 s GLN 127 Cb -0.08 -2.14 -0.01 0.00 0.80 0.00 0.00 33.01 31.59 1q82 s GLN 127 CO 0.41 -0.63 1.35 -1.17 -0.50 0.00 0.00 175.29 174.74 1q82 s LEU 128 N 1.82 4.01 -0.09 3.68 2.96 -1.17 -1.00 118.68 128.88 1q82 s LEU 128 Ca -0.01 1.48 -0.10 0.00 -0.22 0.00 0.00 54.13 55.28 1q82 s LEU 128 Cb -0.17 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1q82 s LEU 128 CO -0.08 -0.99 -0.19 0.18 -1.32 0.00 0.00 176.35 173.95 1q82 n LEU 129 N 7.36 1.15 -4.61 -0.68 4.77 -0.35 -0.80 117.00 123.84 1q82 n LEU 129 Ca 0.15 0.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.01 1q82 n LEU 129 Cb 0.46 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1q82 n LEU 129 CO 0.61 -0.39 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.00 1q82 s THR 130 N -2.13 3.66 0.29 -5.08 2.01 -1.13 -4.52 115.64 108.74 1q82 s THR 130 Ca -0.16 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1q82 s THR 130 Cb 0.02 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.92 1q82 s THR 130 CO 0.24 0.30 0.23 1.41 -0.69 0.00 0.00 174.62 176.11 1q82 n HIS 131 N 1.25 -1.13 0.00 4.92 8.25 -1.26 -0.89 115.22 126.35 1q82 n HIS 131 Ca -0.14 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.08 1q82 n HIS 131 Cb 0.52 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1q82 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1q82 n ASP 132 N -1.97 0.00 0.08 0.41 -0.08 -1.17 -4.79 116.55 109.03 1q82 n ASP 132 Ca -0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1q82 n ASP 132 Cb 0.33 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.76 1q82 n ASP 132 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1q82 h ARG 133 N 0.00 0.00 0.00 -0.67 3.08 -2.02 -3.40 114.38 111.37 1q82 h ARG 133 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1q82 h ARG 133 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1q82 h ARG 133 CO 0.00 0.23 -1.99 0.09 -1.07 0.00 0.00 179.97 177.23 1q82 n ASN 134 N -2.90 2.02 -4.15 7.04 3.02 -1.26 -4.87 115.26 114.15 1q82 n ASN 134 Ca -0.05 0.06 -0.25 0.00 -0.03 0.00 0.00 54.58 54.32 1q82 n ASN 134 Cb 0.73 -0.40 -0.15 0.00 -0.61 0.00 0.00 39.78 39.35 1q82 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q82 s VAL 135 N -2.34 1.34 -0.25 2.41 0.11 -1.26 -4.31 120.40 116.10 1q82 s VAL 135 Ca -0.24 -0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 58.06 1q82 s VAL 135 Cb 0.08 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1q82 s VAL 135 CO 0.36 0.38 -0.03 0.00 -3.33 0.00 0.00 175.10 172.48 1q82 s ALA 136 N -0.34 2.78 -0.27 1.54 0.00 0.97 -3.05 121.76 123.40 1q82 s ALA 136 Ca 0.05 -1.41 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1q82 s ALA 136 Cb -0.07 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1q82 s ALA 136 CO -0.00 -0.77 0.52 0.08 0.00 0.00 0.00 175.76 175.59 1q82 s VAL 137 N 1.38 5.06 -0.04 0.00 1.01 -0.07 -0.25 120.40 127.49 1q82 s VAL 137 Ca 0.02 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1q82 s VAL 137 Cb -0.16 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1q82 s VAL 137 CO -0.03 0.06 -0.24 -0.69 0.00 0.00 0.00 175.10 174.19 1q82 s VAL 138 N 2.34 1.94 -0.47 2.92 1.01 0.71 -1.21 120.40 127.63 1q82 s VAL 138 Ca 0.21 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1q82 s VAL 138 Cb -0.16 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1q82 s VAL 138 CO 0.09 0.55 0.52 -0.75 0.00 0.00 0.00 175.10 175.51 1q82 s LYS 139 N -0.34 3.09 0.49 2.72 2.20 -0.17 0.11 119.74 127.82 1q82 s LYS 139 Ca 0.03 -0.95 -0.19 0.00 -0.36 0.00 0.00 55.97 54.50 1q82 s LYS 139 Cb -0.11 -4.07 -0.08 0.00 -1.51 0.00 0.00 37.83 32.05 1q82 s LYS 139 CO 0.01 -1.07 1.00 -0.51 -0.36 0.00 0.00 175.35 174.42 1q82 s LEU 140 N 2.28 3.77 0.58 5.43 1.43 -0.56 -0.91 118.68 130.69 1q82 s LEU 140 Ca 0.12 1.74 0.37 0.00 -1.03 0.00 0.00 54.13 55.34 1q82 s LEU 140 Cb -0.20 -4.54 1.38 0.00 0.03 0.00 0.00 46.19 42.87 1q82 s LEU 140 CO 0.11 -0.65 1.55 1.55 0.23 0.00 0.00 176.35 179.14 1q82 h PRO 141 N 1.36 0.00 0.00 1.29 0.13 -1.90 2.10 132.00 134.98 1q82 h PRO 141 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q82 h PRO 141 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1q82 h PRO 141 CO 0.60 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 179.02 1q82 h SER 142 N 0.00 0.00 0.00 1.44 4.64 -1.93 -3.46 113.55 114.24 1q82 h SER 142 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1q82 h SER 142 Cb 2.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.03 1q82 h SER 142 CO -0.01 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1q82 n GLY 143 N 0.19 0.64 3.78 -0.77 0.00 0.71 -5.08 105.19 104.67 1q82 n GLY 143 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1q82 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q82 s GLU 144 N -0.78 4.49 -0.48 1.61 2.12 -1.20 -4.80 118.70 119.66 1q82 s GLU 144 Ca 0.00 1.39 -0.22 0.00 0.36 0.00 0.00 54.97 56.50 1q82 s GLU 144 Cb 0.00 -2.76 0.04 0.00 0.26 0.00 0.00 34.13 31.67 1q82 s GLU 144 CO 0.00 0.18 0.76 -1.64 -0.54 0.00 0.00 175.26 174.02 1q82 s MET 145 N -2.13 3.30 -0.22 4.30 -1.94 -1.26 -1.50 119.30 119.85 1q82 s MET 145 Ca 0.52 -0.36 -0.10 0.00 -1.71 0.00 0.00 55.69 54.04 1q82 s MET 145 Cb -0.20 -4.00 -0.05 0.00 2.01 0.00 0.00 34.83 32.59 1q82 s MET 145 CO 0.25 -1.20 0.13 0.21 -0.01 0.00 0.00 175.02 174.40 1q82 s LYS 146 N 3.21 4.04 -0.23 2.03 2.47 0.29 -4.92 119.74 126.64 1q82 s LYS 146 Ca 0.25 -0.29 -0.21 0.00 -1.56 0.00 0.00 55.97 54.16 1q82 s LYS 146 Cb -0.14 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.77 1q82 s LYS 146 CO 0.19 0.12 0.65 1.03 0.16 0.00 0.00 175.35 177.50 1q82 s ARG 147 N 0.85 4.17 0.03 4.03 0.52 -1.26 -0.21 118.95 127.08 1q82 s ARG 147 Ca 0.07 0.63 0.05 0.00 -0.52 0.00 0.00 55.73 55.95 1q82 s ARG 147 Cb -0.13 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 1q82 s ARG 147 CO 0.03 -0.34 -0.14 -0.51 0.02 0.00 0.00 175.30 174.35 1q82 s LEU 148 N 2.25 2.16 0.04 2.53 1.43 0.65 -4.94 118.68 122.81 1q82 s LEU 148 Ca 0.28 -0.44 -0.33 0.00 -1.03 0.00 0.00 54.13 52.62 1q82 s LEU 148 Cb -0.16 -0.61 -0.12 0.00 0.03 0.00 0.00 46.19 45.33 1q82 s LEU 148 CO 0.09 0.05 1.80 -0.67 0.23 0.00 0.00 176.35 177.85 1q82 n ASP 149 N 1.98 3.56 0.05 2.29 -0.08 -1.26 -0.02 116.55 123.08 1q82 n ASP 149 Ca -0.18 1.00 0.03 0.00 -1.51 0.00 0.00 54.79 54.13 1q82 n ASP 149 Cb 0.55 -1.44 0.15 0.00 2.34 0.00 0.00 41.12 42.71 1q82 n ASP 149 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1q82 n PRO 150 N 5.64 0.04 0.09 -0.67 -0.04 -1.26 -0.46 135.00 138.33 1q82 n PRO 150 Ca 0.20 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.23 1q82 n PRO 150 Cb 0.32 -1.76 0.34 0.00 -0.04 0.00 0.00 33.50 32.37 1q82 n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1q82 n GLN 151 N -1.62 0.26 -1.90 0.54 -0.06 -1.26 -1.42 117.38 111.92 1q82 n GLN 151 Ca -0.00 0.17 -0.42 0.00 -2.00 0.00 0.00 57.00 54.75 1q82 n GLN 151 Cb 0.15 -1.76 -0.03 0.00 -4.06 0.00 0.00 30.24 24.54 1q82 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1q82 s ARG 153 N 1.89 3.60 0.17 0.00 0.52 -1.26 -1.01 118.95 122.86 1q82 s ARG 153 Ca 0.73 0.79 -0.23 0.00 -0.52 0.00 0.00 55.73 56.49 1q82 s ARG 153 Cb -0.43 -2.08 0.06 0.00 0.52 0.00 0.00 34.95 33.03 1q82 s ARG 153 CO 0.32 -0.57 0.64 0.00 0.02 0.00 0.00 175.30 175.71 1q82 s ALA 154 N -3.11 -1.56 -0.14 2.13 0.00 -1.01 -1.92 121.76 116.16 1q82 s ALA 154 Ca 0.56 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 1q82 s ALA 154 Cb -0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1q82 s ALA 154 CO 0.51 -0.81 0.04 0.99 0.00 0.00 0.00 175.76 176.50 1q82 s THR 155 N -3.73 4.65 0.09 0.00 2.01 -0.16 -1.94 115.64 116.55 1q82 s THR 155 Ca 0.03 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 1q82 s THR 155 Cb -0.02 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 1q82 s THR 155 CO -0.10 0.53 1.17 -0.63 -0.69 0.00 0.00 174.62 174.90 1q82 s ILE 156 N -0.20 4.02 0.00 1.82 1.01 -0.76 0.08 121.20 127.18 1q82 s ILE 156 Ca 0.07 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1q82 s ILE 156 Cb -0.12 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1q82 s ILE 156 CO 0.02 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1q82 n GLY 157 N 2.91 0.81 3.78 6.18 0.00 0.11 -1.62 105.19 117.37 1q82 n GLY 157 Ca 0.07 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1q82 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q82 s VAL 158 N -1.12 4.83 0.33 1.61 -7.23 -1.26 -2.99 120.40 114.56 1q82 s VAL 158 Ca 0.00 -0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 59.72 1q82 s VAL 158 Cb 0.00 -3.12 -0.13 0.00 0.56 0.00 0.00 36.38 33.69 1q82 s VAL 158 CO 0.00 0.51 1.18 0.52 -0.31 0.00 0.00 175.10 177.01 1q82 n VAL 159 N 1.72 2.01 -1.06 1.32 0.31 -0.70 0.79 118.33 122.72 1q82 n VAL 159 Ca -0.17 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.36 1q82 n VAL 159 Cb 0.54 -1.36 0.25 0.00 -0.91 0.00 0.00 33.84 32.36 1q82 n VAL 159 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q82 s GLY 160 N -0.41 1.59 0.00 2.92 0.00 -0.96 -2.12 107.32 108.34 1q82 s GLY 160 Ca 0.57 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1q82 s GLY 160 CO 0.61 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1q82 n GLY 161 N -0.92 0.49 3.27 0.20 0.00 -1.26 -1.70 105.19 105.27 1q82 n GLY 161 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1q82 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 162 N -2.01 -2.92 2.59 -0.02 0.00 -1.26 -3.22 105.19 98.35 1q82 n GLY 162 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1q82 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 163 N 2.41 0.80 0.35 -0.02 0.00 -1.26 -4.88 105.19 102.59 1q82 n GLY 163 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1q82 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q82 h ARG 164 N 2.22 0.98 0.00 1.61 2.43 -1.90 -1.53 114.38 118.20 1q82 h ARG 164 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1q82 h ARG 164 Cb 0.00 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1q82 h ARG 164 CO 0.00 0.65 0.00 2.41 -1.51 0.00 0.00 179.97 181.52 1q82 n THR 165 N -4.60 0.99 0.09 0.20 -1.04 -1.26 -3.47 114.28 105.18 1q82 n THR 165 Ca 0.16 0.36 -0.01 0.00 -2.04 0.00 0.00 64.05 62.52 1q82 n THR 165 Cb 0.25 -1.28 0.28 0.00 -1.82 0.00 0.00 70.33 67.75 1q82 n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1q82 h ASP 166 N 0.00 0.26 -3.21 8.00 3.32 -1.69 -3.43 116.42 119.68 1q82 h ASP 166 Ca 0.00 -0.09 -0.60 0.00 0.02 0.00 0.00 57.03 56.36 1q82 h ASP 166 Cb 0.24 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 1q82 h ASP 166 CO 0.00 0.56 -0.41 -0.75 -1.72 0.00 0.00 179.24 176.92 1q82 s LYS 167 N -4.38 4.13 0.47 3.56 2.20 -1.23 -5.09 119.74 119.41 1q82 s LYS 167 Ca -0.05 -0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.28 1q82 s LYS 167 Cb 0.14 -3.39 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 1q82 s LYS 167 CO 0.76 0.33 1.16 -1.25 -0.36 0.00 0.00 175.35 176.00 1q82 s PRO 168 N 0.22 3.73 0.40 4.03 0.04 -1.26 -4.94 135.00 137.21 1q82 s PRO 168 Ca 0.13 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.02 1q82 s PRO 168 Cb -0.12 -2.38 0.83 0.00 0.04 0.00 0.00 34.50 32.87 1q82 s PRO 168 CO 0.02 -0.58 1.97 0.74 0.04 0.00 0.00 177.00 179.19 1q82 h PHE 169 N 1.99 0.34 0.00 0.56 -1.00 -1.98 -3.46 116.94 113.39 1q82 h PHE 169 Ca -0.49 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.27 1q82 h PHE 169 Cb 1.25 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1q82 h PHE 169 CO 0.53 0.34 0.00 0.28 -1.61 0.00 0.00 178.31 177.85 1q82 n VAL 170 N -4.36 0.00 -3.90 -0.55 0.31 -1.26 -4.73 118.33 103.84 1q82 n VAL 170 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1q82 n VAL 170 Cb 0.19 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.01 1q82 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1q82 s LYS 171 N 0.00 0.30 0.27 5.55 -2.85 -1.26 -5.03 119.74 116.72 1q82 s LYS 171 Ca 0.00 -0.32 -0.08 0.00 -1.00 0.00 0.00 55.97 54.57 1q82 s LYS 171 Cb 0.00 0.12 0.46 0.00 -2.06 0.00 0.00 37.83 36.35 1q82 s LYS 171 CO 0.00 -0.06 1.57 0.00 0.10 0.00 0.00 175.35 176.96 1q82 h ALA 172 N 4.96 0.68 -0.93 0.59 0.00 -2.01 0.71 119.26 123.26 1q82 h ALA 172 Ca -0.29 0.37 0.26 0.00 0.00 0.00 0.00 54.91 55.24 1q82 h ALA 172 Cb 1.20 0.71 -0.17 0.00 0.00 0.00 0.00 17.79 19.54 1q82 h ALA 172 CO 0.42 -0.40 0.10 0.78 0.00 0.00 0.00 179.25 180.15 1q82 h GLY 173 N 0.00 1.27 1.62 0.00 0.00 -1.95 0.13 103.07 104.15 1q82 h GLY 173 Ca 0.47 0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.74 1q82 h GLY 173 CO -0.98 -0.47 -0.57 3.43 0.00 0.00 0.00 176.54 177.95 1q82 h ASN 174 N 0.06 0.44 -0.20 0.19 2.35 -1.14 -2.88 115.58 114.41 1q82 h ASN 174 Ca 0.58 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 1q82 h ASN 174 Cb 1.20 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1q82 h ASN 174 CO -0.82 0.92 0.00 0.50 -1.65 0.00 0.00 177.43 176.38 1q82 h LYS 175 N 0.30 0.34 -0.64 0.81 3.11 -0.80 -2.76 116.57 116.93 1q82 h LYS 175 Ca 0.00 -0.11 0.06 0.00 -2.81 0.00 0.00 60.65 57.79 1q82 h LYS 175 Cb 1.09 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.21 1q82 h LYS 175 CO 0.10 0.54 -0.38 1.58 -2.81 0.00 0.00 179.45 178.48 1q82 n HIS 176 N -4.70 -0.28 -0.22 1.91 -0.00 0.15 -0.23 115.22 111.85 1q82 n HIS 176 Ca -0.04 0.80 0.05 0.00 0.46 0.00 0.00 57.72 58.99 1q82 n HIS 176 Cb 0.22 -0.55 0.31 0.00 -0.12 0.00 0.00 29.99 29.86 1q82 n HIS 176 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1q82 h HIS 177 N 0.00 0.87 0.12 1.57 3.86 -1.50 -1.48 115.15 118.59 1q82 h HIS 177 Ca 0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1q82 h HIS 177 Cb 0.26 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1q82 h HIS 177 CO -0.97 0.46 -0.06 -0.22 0.86 0.00 0.00 177.93 178.00 1q82 h LYS 178 N 0.86 -0.15 -0.93 2.45 3.64 -0.73 -3.22 116.57 118.48 1q82 h LYS 178 Ca 0.34 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.92 1q82 h LYS 178 Cb 0.22 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 1q82 h LYS 178 CO -0.11 0.18 0.60 1.98 -2.27 0.00 0.00 179.45 179.83 1q82 h MET 179 N -0.51 0.51 0.00 1.90 4.05 0.05 -0.53 114.93 120.40 1q82 h MET 179 Ca -0.02 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1q82 h MET 179 Cb 0.41 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1q82 h MET 179 CO 0.03 0.34 0.00 1.17 0.23 0.00 0.00 176.91 178.67 1q82 n LYS 180 N -4.57 0.05 -0.49 0.39 4.81 -0.62 -1.00 118.16 116.73 1q82 n LYS 180 Ca 0.20 0.43 0.08 0.00 -0.87 0.00 0.00 58.31 58.15 1q82 n LYS 180 Cb 0.65 -1.63 0.28 0.00 0.02 0.00 0.00 35.03 34.35 1q82 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q82 n ALA 181 N -1.59 2.96 -2.32 3.14 0.00 -0.21 -4.77 120.51 117.72 1q82 n ALA 181 Ca 0.01 -1.84 -0.17 0.00 0.00 0.00 0.00 53.44 51.45 1q82 n ALA 181 Cb 0.10 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 1q82 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1q82 s ARG 182 N -2.19 1.31 -1.33 0.00 1.81 -0.17 -4.76 118.95 113.62 1q82 s ARG 182 Ca 0.42 -1.64 -0.13 0.00 -1.72 0.00 0.00 55.73 52.66 1q82 s ARG 182 Cb 0.30 -0.68 0.11 0.00 -0.45 0.00 0.00 34.95 34.23 1q82 s ARG 182 CO 0.15 -0.04 1.90 0.41 -0.68 0.00 0.00 175.30 177.03 1q82 n GLY 183 N -0.39 4.06 3.34 -3.53 0.00 -1.26 -4.57 105.19 102.84 1q82 n GLY 183 Ca -0.06 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1q82 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s THR 184 N 2.13 -0.01 -0.17 2.61 2.01 -1.26 -4.83 115.64 116.13 1q82 s THR 184 Ca 0.45 0.04 -0.27 0.00 0.31 0.00 0.00 61.69 62.22 1q82 s THR 184 Cb 0.08 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1q82 s THR 184 CO -0.01 0.02 0.92 -0.75 -0.69 0.00 0.00 174.62 174.11 1q82 s LYS 185 N 0.87 4.32 -0.07 4.92 2.47 -1.26 -4.87 119.74 126.12 1q82 s LYS 185 Ca -0.05 1.18 -0.10 0.00 -1.56 0.00 0.00 55.97 55.44 1q82 s LYS 185 Cb -0.06 -3.58 0.02 0.00 -1.46 0.00 0.00 37.83 32.75 1q82 s LYS 185 CO -0.07 -0.40 0.25 -0.46 0.16 0.00 0.00 175.35 174.83 1q82 s TRP 186 N 2.38 -0.21 0.28 4.03 -0.00 -1.26 -4.74 118.94 119.42 1q82 s TRP 186 Ca 0.42 0.48 -0.05 0.00 -0.00 0.00 0.00 56.10 56.95 1q82 s TRP 186 Cb -0.17 0.07 0.07 0.00 -0.00 0.00 0.00 33.47 33.44 1q82 s TRP 186 CO 0.12 -0.21 0.35 -0.35 -0.00 0.00 0.00 176.95 176.86 1q82 n PRO 187 N 2.38 -0.63 -4.34 5.86 -0.04 -1.26 -5.09 135.00 131.88 1q82 n PRO 187 Ca -0.16 -0.55 -0.32 0.00 -0.04 0.00 0.00 63.50 62.44 1q82 n PRO 187 Cb 0.57 -0.39 -0.16 0.00 -0.04 0.00 0.00 33.50 33.48 1q82 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1q82 s ASN 188 N -2.33 2.97 -0.04 3.54 0.01 -1.26 -5.10 114.94 112.74 1q82 s ASN 188 Ca 0.20 -0.58 -0.15 0.00 -0.71 0.00 0.00 52.86 51.62 1q82 s ASN 188 Cb -0.01 -1.38 -0.05 0.00 0.41 0.00 0.00 41.25 40.22 1q82 s ASN 188 CO 0.15 0.02 0.40 -0.69 -1.51 0.00 0.00 177.10 175.47 1q82 s VAL 189 N 1.12 5.09 0.10 1.60 1.01 -1.26 -5.03 120.40 123.03 1q82 s VAL 189 Ca -0.01 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1q82 s VAL 189 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1q82 s VAL 189 CO -0.07 0.52 1.19 -0.13 0.00 0.00 0.00 175.10 176.61 1q82 s ARG 190 N -0.63 4.46 0.23 2.72 0.52 -1.26 -4.93 118.95 120.05 1q82 s ARG 190 Ca 0.23 1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 57.12 1q82 s ARG 190 Cb -0.16 -3.31 0.31 0.00 0.52 0.00 0.00 34.95 32.30 1q82 s ARG 190 CO 0.12 -0.19 1.60 0.78 0.02 0.00 0.00 175.30 177.63 1q82 h GLY 191 N 6.30 0.51 1.14 -3.53 0.00 -1.96 0.66 103.07 106.20 1q82 h GLY 191 Ca -0.42 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1q82 h GLY 191 CO 0.79 -0.29 0.00 -0.62 0.00 0.00 0.00 176.54 176.42 1q82 n VAL 192 N -5.50 0.24 0.51 4.60 0.31 -1.26 -0.69 118.33 116.55 1q82 n VAL 192 Ca 0.10 0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.60 1q82 n VAL 192 Cb 0.39 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.23 1q82 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q82 n ALA 193 N -1.07 3.65 -1.97 3.52 0.00 0.23 -4.62 120.51 120.25 1q82 n ALA 193 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1q82 n ALA 193 Cb 0.02 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.67 1q82 n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1q82 n MET 194 N -1.92 0.20 -3.75 0.00 2.81 0.13 -4.92 117.12 109.67 1q82 n MET 194 Ca 0.01 -0.61 -0.33 0.00 -1.81 0.00 0.00 57.70 54.96 1q82 n MET 194 Cb 0.45 -0.22 -0.05 0.00 -0.71 0.00 0.00 33.22 32.69 1q82 n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1q82 s ASN 195 N -2.05 6.47 0.25 7.83 0.01 -1.26 -1.17 114.94 125.03 1q82 s ASN 195 Ca 0.17 0.52 -0.05 0.00 -0.71 0.00 0.00 52.86 52.80 1q82 s ASN 195 Cb -0.01 -2.07 0.48 0.00 0.41 0.00 0.00 41.25 40.06 1q82 s ASN 195 CO 0.11 0.16 1.36 0.00 -1.51 0.00 0.00 177.10 177.23 1q82 n ALA 196 N 0.58 0.28 0.17 0.60 0.00 -1.25 0.12 120.51 121.01 1q82 n ALA 196 Ca -0.07 0.95 0.17 0.00 0.00 0.00 0.00 53.44 54.50 1q82 n ALA 196 Cb 0.52 -0.61 0.79 0.00 0.00 0.00 0.00 19.45 20.15 1q82 n ALA 196 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1q82 h VAL 197 N 0.00 0.52 0.00 0.00 3.04 -1.93 -2.89 116.25 114.98 1q82 h VAL 197 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 1q82 h VAL 197 Cb 0.76 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1q82 h VAL 197 CO -0.88 0.00 -1.37 0.47 -1.01 0.00 0.00 177.57 174.79 1q82 n ASP 198 N -3.91 0.48 -3.64 3.17 8.00 0.33 -1.72 116.55 119.26 1q82 n ASP 198 Ca 0.03 -0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 1q82 n ASP 198 Cb 0.38 1.16 -0.07 0.00 -0.02 0.00 0.00 41.12 42.57 1q82 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1q82 s HIS 199 N -3.34 -0.55 0.57 1.24 2.46 -1.09 -4.47 115.29 110.11 1q82 s HIS 199 Ca -0.01 1.35 0.33 0.00 0.47 0.00 0.00 55.06 57.20 1q82 s HIS 199 Cb 0.13 0.34 1.44 0.00 -0.13 0.00 0.00 32.58 34.37 1q82 s HIS 199 CO 0.84 -0.27 1.77 -1.00 -2.47 0.00 0.00 174.74 173.61 1q82 h PRO 200 N 4.39 0.00 -0.00 2.88 0.13 -1.84 0.22 132.00 137.78 1q82 h PRO 200 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1q82 h PRO 200 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1q82 h PRO 200 CO 0.09 0.00 -0.42 1.19 -0.23 0.00 0.00 178.00 178.63 1q82 n PHE 201 N -3.90 0.00 -1.27 1.56 0.99 -1.26 -4.52 117.46 109.06 1q82 n PHE 201 Ca 0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.36 1q82 n PHE 201 Cb 1.10 -0.17 0.17 0.00 -1.00 0.00 0.00 39.48 39.57 1q82 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1q82 s GLY 202 N -2.76 1.57 0.00 1.37 0.00 0.78 -4.22 107.32 104.06 1q82 s GLY 202 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1q82 s GLY 202 CO 0.62 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1q82 n GLY 203 N -1.39 -2.81 0.00 0.20 0.00 -0.32 -3.81 105.19 97.06 1q82 n GLY 203 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1q82 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 204 N -0.45 0.71 0.01 -0.02 0.00 -1.26 -4.73 105.19 99.46 1q82 n GLY 204 Ca 0.00 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.45 1q82 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 205 N 0.82 -1.49 3.23 -0.02 0.00 -1.26 -4.81 105.19 101.66 1q82 n GLY 205 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1q82 n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1q82 s ARG 206 N -3.01 1.38 -0.45 1.61 1.70 -1.26 -5.12 118.95 113.79 1q82 s ARG 206 Ca 0.13 -1.76 -0.15 0.00 -0.47 0.00 0.00 55.73 53.48 1q82 s ARG 206 Cb 0.18 0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.88 1q82 s ARG 206 CO 0.56 -0.47 0.37 -0.65 -1.08 0.00 0.00 175.30 174.03 1q82 s GLN 207 N -3.93 2.98 0.09 3.89 -0.21 -1.26 -4.95 119.66 116.27 1q82 s GLN 207 Ca 0.39 -1.24 -0.24 0.00 0.02 0.00 0.00 55.36 54.29 1q82 s GLN 207 Cb 0.06 -4.09 0.07 0.00 1.00 0.00 0.00 33.01 30.05 1q82 s GLN 207 CO 0.17 -0.95 0.60 -3.38 -2.12 0.00 0.00 175.29 169.61 1q82 s HIS 208 N 1.68 -0.54 0.55 0.91 -3.43 -1.26 -5.08 115.29 108.12 1q82 s HIS 208 Ca 0.05 0.51 -0.18 0.00 -0.80 0.00 0.00 55.06 54.64 1q82 s HIS 208 Cb -0.23 0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 1q82 s HIS 208 CO 0.08 -0.76 1.06 -1.25 -2.00 0.00 0.00 174.74 171.87 1q82 s PRO 209 N -2.99 3.47 -0.02 -0.38 0.04 -1.26 -4.87 135.00 128.99 1q82 s PRO 209 Ca -0.02 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1q82 s PRO 209 Cb -0.01 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1q82 s PRO 209 CO -0.06 -0.70 0.90 0.78 0.04 0.00 0.00 177.00 177.96 1q82 h GLY 210 N 0.91 -0.51 -0.04 0.56 0.00 -1.79 -3.47 103.07 98.73 1q82 h GLY 210 Ca -0.48 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1q82 h GLY 210 CO 0.58 -0.19 -0.01 0.28 0.00 0.00 0.00 176.54 177.20 1q82 n LYS 211 N -5.12 1.29 -2.40 4.80 5.02 -1.26 -5.08 118.16 115.40 1q82 n LYS 211 Ca -0.08 -0.11 -0.34 0.00 -2.02 0.00 0.00 58.31 55.75 1q82 n LYS 211 Cb 0.26 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.26 1q82 n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1q82 s PRO 212 N -2.08 3.60 0.46 1.97 0.04 -1.26 -4.96 135.00 132.77 1q82 s PRO 212 Ca 0.01 1.45 0.26 0.00 0.04 0.00 0.00 61.00 62.76 1q82 s PRO 212 Cb -0.00 -2.06 0.78 0.00 0.04 0.00 0.00 34.50 33.27 1q82 s PRO 212 CO 0.01 -0.62 1.77 0.87 0.04 0.00 0.00 177.00 179.07 1q82 h LYS 213 N 1.35 0.00 -6.34 4.56 1.57 -1.95 -3.44 116.57 112.33 1q82 h LYS 213 Ca -0.50 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.72 1q82 h LYS 213 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1q82 h LYS 213 CO 0.58 0.11 1.00 -1.12 -0.57 0.00 0.00 179.45 179.45 1q82 s SER 214 N -6.06 6.62 0.07 0.86 0.01 -1.26 -0.87 113.70 113.07 1q82 s SER 214 Ca 0.03 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.60 1q82 s SER 214 Cb 0.08 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1q82 s SER 214 CO 0.63 -1.11 0.13 -0.51 0.41 0.00 0.00 173.24 172.79 1q82 s ILE 215 N 4.53 4.88 0.40 1.44 1.10 -0.28 -4.95 121.20 128.31 1q82 s ILE 215 Ca 0.59 -0.60 -0.25 0.00 -0.51 0.00 0.00 60.65 59.88 1q82 s ILE 215 Cb -0.18 -3.36 -0.08 0.00 0.15 0.00 0.00 42.46 38.99 1q82 s ILE 215 CO 0.24 0.14 1.19 -0.55 -2.11 0.00 0.00 174.94 173.85 1q82 s SER 216 N -2.40 6.49 0.42 4.50 0.15 -1.26 -1.60 113.70 120.00 1q82 s SER 216 Ca 0.31 2.39 0.16 0.00 0.70 0.00 0.00 55.95 59.51 1q82 s SER 216 Cb -0.12 -2.62 1.05 0.00 -1.71 0.00 0.00 66.02 62.62 1q82 s SER 216 CO 0.24 -0.70 1.89 0.03 1.20 0.00 0.00 173.24 175.90 1q82 h ARG 217 N 2.64 0.42 0.00 5.44 2.47 -1.96 0.11 114.38 123.50 1q82 h ARG 217 Ca -0.49 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1q82 h ARG 217 Cb 1.24 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1q82 h ARG 217 CO 0.62 0.28 0.00 0.09 0.56 0.00 0.00 179.97 181.52 1q82 n ASN 218 N -4.49 0.00 -4.78 7.04 3.02 -1.26 -4.87 115.26 109.91 1q82 n ASN 218 Ca 0.17 -0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1q82 n ASN 218 Cb 0.60 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1q82 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q82 s ALA 219 N -2.48 3.58 0.57 5.41 0.00 0.02 -4.98 121.76 123.88 1q82 s ALA 219 Ca 0.23 1.56 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 1q82 s ALA 219 Cb 0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1q82 s ALA 219 CO 0.32 -1.04 1.02 -1.25 0.00 0.00 0.00 175.76 174.81 1q82 s PRO 220 N -2.03 3.61 0.58 0.00 0.04 -1.26 -4.68 135.00 131.26 1q82 s PRO 220 Ca 0.53 1.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1q82 s PRO 220 Cb -0.46 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1q82 s PRO 220 CO 0.62 -0.56 1.32 -0.35 0.04 0.00 0.00 177.00 178.07 1q82 n PRO 221 N -1.96 1.47 0.00 0.56 -0.04 -1.26 -1.57 135.00 132.20 1q82 n PRO 221 Ca 0.07 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1q82 n PRO 221 Cb 0.54 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1q82 n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q82 n GLY 222 N 0.84 2.24 0.02 0.55 0.00 -1.26 -4.73 105.19 102.84 1q82 n GLY 222 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1q82 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q82 n ARG 223 N -0.19 3.06 -2.11 1.61 0.63 -0.61 -4.70 116.66 114.34 1q82 n ARG 223 Ca 0.00 -0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1q82 n ARG 223 Cb 0.00 -1.11 -0.05 0.00 0.45 0.00 0.00 32.46 31.75 1q82 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1q82 s LYS 224 N -2.12 2.68 0.29 -0.14 2.20 -0.99 -4.86 119.74 116.79 1q82 s LYS 224 Ca -0.02 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1q82 s LYS 224 Cb 0.01 -5.14 -0.03 0.00 -1.51 0.00 0.00 37.83 31.16 1q82 s LYS 224 CO 0.18 -3.36 0.23 0.14 -0.36 0.00 0.00 175.35 172.19 1q82 s VAL 225 N 9.64 0.00 0.00 4.02 -7.23 -1.26 -5.01 120.40 120.56 1q82 s VAL 225 Ca 0.67 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1q82 s VAL 225 Cb -0.05 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1q82 s VAL 225 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1q82 n GLY 226 N -0.51 0.17 3.47 2.32 0.00 -1.26 -4.52 105.19 104.87 1q82 n GLY 226 Ca 0.06 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1q82 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q82 s ASP 227 N -4.00 6.19 -0.06 1.61 1.01 -0.05 -4.94 116.67 116.44 1q82 s ASP 227 Ca 0.00 -0.85 -0.30 0.00 0.71 0.00 0.00 52.55 52.11 1q82 s ASP 227 Cb 0.00 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1q82 s ASP 227 CO 0.00 -1.48 1.46 -0.63 0.21 0.00 0.00 175.17 174.73 1q82 s ILE 228 N 4.30 3.79 -1.52 0.77 1.01 -1.26 -1.13 121.20 127.16 1q82 s ILE 228 Ca 0.25 1.06 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 1q82 s ILE 228 Cb -0.15 -3.68 0.19 0.00 0.01 0.00 0.00 42.46 38.83 1q82 s ILE 228 CO 0.12 -0.05 0.48 0.00 0.00 0.00 0.00 174.94 175.49 1q82 n ALA 229 N 6.26 -0.98 -1.69 9.38 0.00 -0.63 -4.77 120.51 128.08 1q82 n ALA 229 Ca 0.15 -0.17 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 1q82 n ALA 229 Cb 0.44 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 1q82 n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q82 n SER 230 N -1.84 3.11 -0.00 0.00 3.41 -1.24 -4.84 113.62 112.21 1q82 n SER 230 Ca 0.10 1.14 0.13 0.00 -0.26 0.00 0.00 58.87 59.97 1q82 n SER 230 Cb 0.37 -1.48 0.40 0.00 -0.26 0.00 0.00 64.21 63.24 1q82 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1q82 n LYS 231 N 2.18 0.02 0.00 4.33 5.02 -1.26 -4.93 118.16 123.52 1q82 n LYS 231 Ca 0.11 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1q82 n LYS 231 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1q82 n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1q82 n ARG 232 N -1.48 0.00 -4.29 1.97 1.85 -1.26 -5.18 116.66 108.26 1q82 n ARG 232 Ca 0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.74 1q82 n ARG 232 Cb 0.34 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.66 1q82 n ARG 232 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1q82 s THR 233 N -2.00 0.16 0.00 8.89 -4.23 -1.26 -5.10 115.64 112.10 1q82 s THR 233 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1q82 s THR 233 Cb 0.00 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1q82 s THR 233 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1q82 n GLY 234 N -0.53 -1.42 0.01 3.99 0.00 -1.26 -4.73 105.19 101.26 1q82 n GLY 234 Ca 0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1q82 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 n ARG 235 N -0.42 3.07 -1.62 1.61 1.74 -1.26 -5.07 116.66 114.72 1q82 n ARG 235 Ca 0.00 -0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 1q82 n ARG 235 Cb 0.00 -1.07 0.04 0.00 -1.02 0.00 0.00 32.46 30.41 1q82 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 236 N 2.76 -0.21 3.12 -0.13 0.00 -1.26 -5.29 105.19 104.17 1q82 n GLY 236 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1q82 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93