#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s ARG 2 N 0.00 2.21 0.45 1.61 0.52 -0.24 -5.06 118.95 118.44 1q81 s ARG 2 Ca 0.00 -1.60 -0.24 0.00 -0.52 0.00 0.00 55.73 53.36 1q81 s ARG 2 Cb 0.00 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 1q81 s ARG 2 CO 0.00 0.20 1.31 1.03 0.02 0.00 0.00 175.30 177.86 1q81 s ARG 3 N -3.74 3.71 0.71 3.54 1.81 -1.26 -4.79 118.95 118.94 1q81 s ARG 3 Ca 0.35 2.15 -0.08 0.00 -1.72 0.00 0.00 55.73 56.43 1q81 s ARG 3 Cb -0.03 -2.58 0.06 0.00 -0.45 0.00 0.00 34.95 31.95 1q81 s ARG 3 CO 0.20 -0.70 1.03 0.96 -0.68 0.00 0.00 175.30 176.12 1q81 s ILE 4 N -1.31 2.45 0.32 1.52 -4.36 -1.26 -4.88 121.20 113.68 1q81 s ILE 4 Ca 0.62 -0.16 0.07 0.00 -0.26 0.00 0.00 60.65 60.92 1q81 s ILE 4 Cb -0.38 -3.08 0.31 0.00 1.25 0.00 0.00 42.46 40.57 1q81 s ILE 4 CO 0.48 -0.09 1.82 -0.61 0.24 0.00 0.00 174.94 176.78 1q81 h GLN 5 N -0.63 0.74 0.00 0.37 4.15 -1.95 -0.30 115.11 117.49 1q81 h GLN 5 Ca -0.45 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 1q81 h GLN 5 Cb 1.31 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 1q81 h GLN 5 CO 0.61 0.49 -0.03 0.78 -1.93 0.00 0.00 178.83 178.76 1q81 h GLY 6 N 0.77 0.00 1.53 2.39 0.00 -1.98 -2.11 103.07 103.66 1q81 h GLY 6 Ca 0.52 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.59 1q81 h GLY 6 CO -0.29 0.00 -1.33 1.46 0.00 0.00 0.00 176.54 176.39 1q81 h GLN 7 N 0.00 0.10 -0.35 4.80 4.20 -1.41 -3.34 115.11 119.10 1q81 h GLN 7 Ca -0.00 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 1q81 h GLN 7 Cb 0.10 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1q81 h GLN 7 CO 0.00 0.94 -0.01 0.00 -0.67 0.00 0.00 178.83 179.09 1q81 h ARG 8 N 0.03 0.63 -0.12 1.46 -0.00 -1.23 -3.31 114.38 111.84 1q81 h ARG 8 Ca -0.15 -0.21 0.01 0.00 -0.50 0.00 0.00 59.98 59.14 1q81 h ARG 8 Cb 1.91 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 31.81 1q81 h ARG 8 CO 0.13 0.75 -0.09 0.00 0.00 0.00 0.00 179.97 180.77 1q81 h ARG 9 N 0.44 -0.02 0.00 0.04 3.08 -1.59 -2.24 114.38 114.09 1q81 h ARG 9 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1q81 h ARG 9 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1q81 h ARG 9 CO 0.02 -0.01 0.90 0.41 -1.07 0.00 0.00 179.97 180.21 1q81 n GLY 10 N -1.05 -0.42 0.17 0.04 0.00 -1.24 0.58 105.19 103.26 1q81 n GLY 10 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1q81 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1q81 h ARG 11 N 0.00 0.00 -1.00 1.61 3.08 -1.57 -3.47 114.38 113.03 1q81 h ARG 11 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1q81 h ARG 11 Cb 1.79 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.85 1q81 h ARG 11 CO 0.00 0.46 -0.12 0.41 -1.07 0.00 0.00 179.97 179.66 1q81 n GLY 12 N 0.11 0.33 3.77 0.04 0.00 0.20 -5.05 105.19 104.59 1q81 n GLY 12 Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1q81 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q81 s THR 13 N -2.46 2.32 0.19 2.61 -4.23 -1.26 -4.71 115.64 108.10 1q81 s THR 13 Ca 0.03 0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.41 1q81 s THR 13 Cb -0.02 -2.81 0.08 0.00 1.34 0.00 0.00 72.50 71.09 1q81 s THR 13 CO 0.04 -0.14 1.51 -0.24 -0.54 0.00 0.00 174.62 175.25 1q81 n SER 14 N -3.73 -0.84 -0.38 3.99 2.88 -1.26 -1.81 113.62 112.47 1q81 n SER 14 Ca 0.06 1.72 0.30 0.00 -1.33 0.00 0.00 58.87 59.62 1q81 n SER 14 Cb 0.58 -0.30 0.59 0.00 -0.75 0.00 0.00 64.21 64.32 1q81 n SER 14 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1q81 h THR 15 N 0.00 0.34 -0.00 2.46 2.02 -1.98 -0.11 112.91 115.63 1q81 h THR 15 Ca 0.24 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1q81 h THR 15 Cb 0.49 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1q81 h THR 15 CO -0.94 0.04 -0.83 0.49 0.37 0.00 0.00 175.52 174.65 1q81 n PHE 16 N -4.62 0.00 -2.29 3.16 3.01 -0.75 -4.33 117.46 111.65 1q81 n PHE 16 Ca 0.30 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.44 1q81 n PHE 16 Cb 1.14 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.59 1q81 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1q81 s ARG 17 N -2.82 3.81 0.35 -1.08 0.52 -0.06 -4.14 118.95 115.54 1q81 s ARG 17 Ca 0.11 0.98 -0.18 0.00 -0.52 0.00 0.00 55.73 56.12 1q81 s ARG 17 Cb 0.16 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 1q81 s ARG 17 CO 0.77 -0.39 0.82 0.00 0.02 0.00 0.00 175.30 176.52 1q81 s ALA 18 N -2.65 3.23 0.00 2.13 0.00 -1.26 -4.29 121.76 118.93 1q81 s ALA 18 Ca 0.59 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1q81 s ALA 18 Cb -0.11 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 1q81 s ALA 18 CO 0.34 0.26 2.55 -0.35 0.00 0.00 0.00 175.76 178.55 1q81 n PRO 19 N -0.31 1.34 -0.16 0.00 -0.04 -1.26 -4.71 135.00 129.85 1q81 n PRO 19 Ca 0.04 -0.53 -0.03 0.00 -0.04 0.00 0.00 63.50 62.94 1q81 n PRO 19 Cb 0.53 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1q81 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1q81 n SER 20 N 2.26 -0.38 -0.03 3.54 7.64 -1.26 0.93 113.62 126.32 1q81 n SER 20 Ca 0.23 0.71 0.22 0.00 1.01 0.00 0.00 58.87 61.05 1q81 n SER 20 Cb 0.63 -0.11 0.52 0.00 -1.01 0.00 0.00 64.21 64.24 1q81 n SER 20 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1q81 h HIS 21 N 0.00 0.00 0.00 1.43 2.07 -2.04 0.79 115.15 117.41 1q81 h HIS 21 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 1q81 h HIS 21 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 1q81 h HIS 21 CO -0.40 0.00 -0.67 -2.13 -3.07 0.00 0.00 177.93 171.67 1q81 n ARG 22 N -3.30 0.19 -1.45 5.12 0.63 0.26 -4.94 116.66 113.18 1q81 n ARG 22 Ca 0.14 0.04 -0.31 0.00 -0.92 0.00 0.00 57.85 56.80 1q81 n ARG 22 Cb 1.12 -1.60 0.07 0.00 0.45 0.00 0.00 32.46 32.49 1q81 n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1q81 s TYR 23 N -3.12 2.90 -0.12 -0.14 4.12 0.28 -4.92 117.35 116.34 1q81 s TYR 23 Ca 0.07 1.47 -0.10 0.00 0.02 0.00 0.00 57.07 58.53 1q81 s TYR 23 Cb 0.15 -2.95 -0.03 0.00 -1.52 0.00 0.00 41.96 37.60 1q81 s TYR 23 CO 0.73 -1.47 -0.20 1.63 0.02 0.00 0.00 175.55 176.26 1q81 n LYS 24 N -3.29 0.36 -3.82 -0.62 5.02 -1.26 -5.07 118.16 109.48 1q81 n LYS 24 Ca 0.08 0.29 -0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1q81 n LYS 24 Cb 0.53 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1q81 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q81 s ALA 25 N -2.88 -0.51 -0.75 7.82 0.00 -1.26 -5.07 121.76 119.11 1q81 s ALA 25 Ca -0.16 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 1q81 s ALA 25 Cb 0.02 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.40 1q81 s ALA 25 CO 0.24 -0.27 0.95 0.34 0.00 0.00 0.00 175.76 177.02 1q81 s ASP 26 N -1.56 6.37 -0.02 0.00 -1.08 -1.26 -4.99 116.67 114.14 1q81 s ASP 26 Ca -0.12 -1.58 -0.30 0.00 -0.52 0.00 0.00 52.55 50.03 1q81 s ASP 26 Cb -0.05 -2.37 -0.07 0.00 -1.46 0.00 0.00 42.92 38.97 1q81 s ASP 26 CO 0.01 -1.18 1.77 -0.76 0.52 0.00 0.00 175.17 175.54 1q81 s LEU 27 N 3.00 4.37 0.00 -1.34 1.43 -1.26 -4.97 118.68 119.90 1q81 s LEU 27 Ca 0.23 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 1q81 s LEU 27 Cb -0.14 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1q81 s LEU 27 CO 0.01 -0.97 0.22 -1.61 0.23 0.00 0.00 176.35 174.23 1q81 s GLU 28 N 4.15 0.60 0.61 1.70 2.02 -1.26 -4.93 118.70 121.59 1q81 s GLU 28 Ca 0.79 -0.34 -0.17 0.00 0.02 0.00 0.00 54.97 55.28 1q81 s GLU 28 Cb -0.37 0.26 -0.02 0.00 0.10 0.00 0.00 34.13 34.09 1q81 s GLU 28 CO 0.34 -0.16 1.12 -1.01 0.02 0.00 0.00 175.26 175.58 1q81 s HIS 29 N -1.51 2.61 0.61 1.61 3.76 -0.70 -4.95 115.29 116.72 1q81 s HIS 29 Ca -0.13 1.55 -0.15 0.00 -0.15 0.00 0.00 55.06 56.18 1q81 s HIS 29 Cb -0.06 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 1q81 s HIS 29 CO 0.02 -1.69 1.06 1.03 -0.85 0.00 0.00 174.74 174.31 1q81 s ARG 30 N -3.74 3.20 -0.23 1.40 0.52 -1.26 -4.78 118.95 114.06 1q81 s ARG 30 Ca 0.70 1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 56.97 1q81 s ARG 30 Cb -0.22 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 1q81 s ARG 30 CO 0.35 -0.90 0.32 0.15 0.02 0.00 0.00 175.30 175.25 1q81 s LYS 31 N -4.17 4.10 -0.09 3.54 1.02 -1.26 -5.06 119.74 117.81 1q81 s LYS 31 Ca 0.63 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1q81 s LYS 31 Cb -0.16 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1q81 s LYS 31 CO 0.39 -0.08 -0.12 0.08 -0.92 0.00 0.00 175.35 174.70 1q81 s VAL 32 N 1.45 3.18 0.16 3.17 1.01 -1.26 -5.00 120.40 123.11 1q81 s VAL 32 Ca 0.15 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 1q81 s VAL 32 Cb -0.15 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1q81 s VAL 32 CO 0.08 0.56 1.74 -0.33 0.00 0.00 0.00 175.10 177.14 1q81 h GLU 33 N 6.04 0.24 0.00 2.72 3.07 -1.99 -3.48 114.58 121.18 1q81 h GLU 33 Ca -0.36 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1q81 h GLU 33 Cb 1.18 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1q81 h GLU 33 CO 0.54 0.16 0.00 -3.47 -1.40 0.00 0.00 179.01 174.84 1q81 n ASP 34 N -5.05 0.00 0.00 1.42 -0.08 -1.26 -5.05 116.55 106.52 1q81 n ASP 34 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1q81 n ASP 34 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1q81 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q81 n GLY 35 N -0.47 1.71 1.76 0.27 0.00 -1.26 -4.45 105.19 102.75 1q81 n GLY 35 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1q81 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q81 n ASP 36 N 1.76 0.00 -0.10 1.61 2.03 -1.26 -4.53 116.55 116.05 1q81 n ASP 36 Ca 0.00 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.49 1q81 n ASP 36 Cb 0.00 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 40.68 1q81 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1q81 n VAL 37 N -1.88 0.00 -1.76 5.18 0.24 -1.26 -4.30 118.33 114.55 1q81 n VAL 37 Ca 0.00 0.94 -0.42 0.00 -2.04 0.00 0.00 64.34 62.82 1q81 n VAL 37 Cb 0.00 -1.71 -0.03 0.00 -1.47 0.00 0.00 33.84 30.63 1q81 n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1q81 s ILE 38 N -3.80 3.18 0.22 1.34 -1.09 -1.26 -4.96 121.20 114.83 1q81 s ILE 38 Ca -0.02 0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1q81 s ILE 38 Cb 0.09 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1q81 s ILE 38 CO 0.30 -0.05 0.12 0.00 -1.23 0.00 0.00 174.94 174.08 1q81 s ALA 39 N 5.50 1.36 0.21 9.38 0.00 -1.26 -0.95 121.76 136.00 1q81 s ALA 39 Ca 0.87 -1.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1q81 s ALA 39 Cb -0.37 1.28 0.05 0.00 0.00 0.00 0.00 23.12 24.08 1q81 s ALA 39 CO 0.37 -0.55 0.62 0.41 0.00 0.00 0.00 175.76 176.61 1q81 n GLY 40 N -0.34 1.07 3.22 0.00 0.00 -0.91 -1.44 105.19 106.81 1q81 n GLY 40 Ca 0.01 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1q81 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s THR 41 N -2.30 1.55 -0.50 2.61 2.01 -0.18 -2.42 115.64 116.41 1q81 s THR 41 Ca 0.13 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 1q81 s THR 41 Cb -0.03 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.16 1q81 s THR 41 CO 0.06 0.21 1.18 -0.69 -0.69 0.00 0.00 174.62 174.69 1q81 s VAL 42 N -0.75 4.12 -0.01 3.82 1.01 -0.45 -0.91 120.40 127.23 1q81 s VAL 42 Ca 0.07 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.19 1q81 s VAL 42 Cb -0.08 -4.60 -0.25 0.00 0.00 0.00 0.00 36.38 31.45 1q81 s VAL 42 CO 0.01 -1.08 0.81 0.58 0.00 0.00 0.00 175.10 175.42 1q81 h VAL 43 N 6.24 1.08 -1.67 2.92 2.07 -1.22 -0.40 116.25 125.27 1q81 h VAL 43 Ca -0.24 -2.82 0.04 0.00 0.82 0.00 0.00 66.70 64.50 1q81 h VAL 43 Cb 1.06 2.63 -0.22 0.00 -1.52 0.00 0.00 31.29 33.24 1q81 h VAL 43 CO 1.14 0.73 0.45 -0.62 0.02 0.00 0.00 177.57 179.29 1q81 s ASP 44 N -6.62 -0.45 -0.35 0.57 2.15 -1.14 -4.89 116.67 105.95 1q81 s ASP 44 Ca -0.07 0.53 -0.08 0.00 0.43 0.00 0.00 52.55 53.35 1q81 s ASP 44 Cb 0.08 0.42 0.03 0.00 -0.30 0.00 0.00 42.92 43.15 1q81 s ASP 44 CO 0.83 -0.39 0.15 -0.63 -0.17 0.00 0.00 175.17 174.95 1q81 s ILE 45 N -1.01 4.11 0.36 4.11 -1.09 -1.26 0.29 121.20 126.71 1q81 s ILE 45 Ca -0.04 -1.01 0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1q81 s ILE 45 Cb -0.01 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1q81 s ILE 45 CO 0.03 -0.20 0.14 -1.61 -1.23 0.00 0.00 174.94 172.07 1q81 s GLU 46 N 1.47 2.28 -0.14 2.79 2.02 0.37 -4.88 118.70 122.61 1q81 s GLU 46 Ca -0.00 -1.67 -0.21 0.00 0.02 0.00 0.00 54.97 53.12 1q81 s GLU 46 Cb -0.19 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 1q81 s GLU 46 CO 0.04 0.04 0.61 -1.58 0.02 0.00 0.00 175.26 174.39 1q81 s HIS 47 N -2.49 3.46 -0.44 1.61 5.65 -1.26 0.21 115.29 122.02 1q81 s HIS 47 Ca 0.38 1.00 -0.19 0.00 0.25 0.00 0.00 55.06 56.50 1q81 s HIS 47 Cb -0.00 -2.73 0.03 0.00 -1.18 0.00 0.00 32.58 28.69 1q81 s HIS 47 CO 0.22 -0.02 0.56 0.34 -0.65 0.00 0.00 174.74 175.20 1q81 s ASP 48 N 0.95 6.26 0.27 9.88 -1.08 -0.17 -4.88 116.67 127.90 1q81 s ASP 48 Ca 0.30 -0.54 -0.00 0.00 -0.52 0.00 0.00 52.55 51.79 1q81 s ASP 48 Cb -0.16 -2.28 0.54 0.00 -1.46 0.00 0.00 42.92 39.56 1q81 s ASP 48 CO 0.12 -0.72 1.80 -0.65 0.52 0.00 0.00 175.17 176.24 1q81 h PRO 49 N 8.84 0.78 0.00 4.34 0.11 -1.91 0.67 132.00 144.82 1q81 h PRO 49 Ca -0.26 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 1q81 h PRO 49 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1q81 h PRO 49 CO 0.86 0.52 -0.30 0.00 -0.21 0.00 0.00 178.00 178.87 1q81 h ALA 50 N 1.54 1.01 0.00 -0.75 0.00 -1.93 -3.36 119.26 115.77 1q81 h ALA 50 Ca 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1q81 h ALA 50 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1q81 h ALA 50 CO -0.31 0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1q81 n ARG 51 N -3.46 4.84 -2.66 0.00 1.74 -0.66 -5.02 116.66 111.45 1q81 n ARG 51 Ca -0.00 -0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.78 1q81 n ARG 51 Cb 0.47 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1q81 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q81 n SER 52 N -0.72 -5.23 -4.22 0.55 7.64 0.23 -4.76 113.62 107.11 1q81 n SER 52 Ca 0.00 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.69 1q81 n SER 52 Cb 0.00 -4.33 -0.10 0.00 -1.01 0.00 0.00 64.21 58.77 1q81 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q81 s ALA 53 N -2.95 1.22 0.61 -0.43 0.00 -1.24 -4.97 121.76 113.99 1q81 s ALA 53 Ca 0.11 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.35 1q81 s ALA 53 Cb -0.05 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1q81 s ALA 53 CO 0.14 -0.39 1.06 -1.25 0.00 0.00 0.00 175.76 175.33 1q81 s PRO 54 N -3.97 3.23 -0.02 0.00 0.04 -1.26 -1.00 135.00 132.02 1q81 s PRO 54 Ca 0.25 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1q81 s PRO 54 Cb 0.07 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1q81 s PRO 54 CO 0.04 -0.88 0.04 0.54 0.04 0.00 0.00 177.00 176.78 1q81 s VAL 55 N -2.49 -0.03 -0.06 -0.36 0.11 0.55 -4.26 120.40 113.86 1q81 s VAL 55 Ca 0.63 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.65 1q81 s VAL 55 Cb -0.16 -0.08 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1q81 s VAL 55 CO 0.39 0.05 0.38 0.00 -3.33 0.00 0.00 175.10 172.58 1q81 s ALA 56 N 0.60 3.65 -0.05 1.54 0.00 -0.82 0.14 121.76 126.81 1q81 s ALA 56 Ca -0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1q81 s ALA 56 Cb -0.07 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1q81 s ALA 56 CO -0.02 0.32 0.51 0.00 0.00 0.00 0.00 175.76 176.57 1q81 s ALA 57 N -0.43 3.52 0.01 0.00 0.00 0.84 0.98 121.76 126.67 1q81 s ALA 57 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1q81 s ALA 57 Cb -0.15 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1q81 s ALA 57 CO 0.10 0.16 -0.07 0.08 0.00 0.00 0.00 175.76 176.03 1q81 s VAL 58 N -0.01 0.55 -0.31 0.00 1.01 -0.84 -0.63 120.40 120.17 1q81 s VAL 58 Ca 0.27 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1q81 s VAL 58 Cb -0.17 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.77 1q81 s VAL 58 CO 0.13 0.04 0.01 -1.61 0.00 0.00 0.00 175.10 173.68 1q81 s GLU 59 N -0.47 2.45 0.58 2.72 2.02 -0.08 -2.08 118.70 123.84 1q81 s GLU 59 Ca 0.00 -1.26 -0.09 0.00 0.02 0.00 0.00 54.97 53.64 1q81 s GLU 59 Cb -0.04 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 1q81 s GLU 59 CO -0.00 -0.63 0.96 -0.06 0.02 0.00 0.00 175.26 175.55 1q81 s PHE 60 N 1.27 3.57 0.23 1.61 0.40 0.18 -1.01 117.98 124.23 1q81 s PHE 60 Ca -0.05 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.32 1q81 s PHE 60 Cb -0.20 -2.62 0.39 0.00 0.51 0.00 0.00 43.02 41.09 1q81 s PHE 60 CO -0.01 -0.61 1.73 0.93 0.70 0.00 0.00 175.22 177.96 1q81 h GLU 61 N -0.18 0.41 -1.00 0.44 5.08 -1.55 -2.14 114.58 115.64 1q81 h GLU 61 Ca -0.45 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1q81 h GLU 61 Cb 1.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1q81 h GLU 61 CO 0.62 0.27 0.04 -0.40 -1.00 0.00 0.00 179.01 178.54 1q81 n ASP 62 N -5.01 2.89 0.00 1.42 5.75 -1.26 -4.82 116.55 115.52 1q81 n ASP 62 Ca 0.12 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1q81 n ASP 62 Cb 0.36 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1q81 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q81 n GLY 63 N 0.36 2.90 3.72 6.12 0.00 -0.81 -5.01 105.19 112.48 1q81 n GLY 63 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1q81 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q81 s ASP 64 N -2.03 6.63 -0.15 1.61 1.01 -1.25 -4.75 116.67 117.73 1q81 s ASP 64 Ca 0.00 2.56 0.01 0.00 0.71 0.00 0.00 52.55 55.83 1q81 s ASP 64 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 1q81 s ASP 64 CO 0.00 -0.79 -0.19 -0.60 0.21 0.00 0.00 175.17 173.80 1q81 s ARG 65 N 1.13 3.08 -0.03 8.23 6.06 -1.26 0.51 118.95 136.66 1q81 s ARG 65 Ca 0.69 -0.81 -0.23 0.00 -2.50 0.00 0.00 55.73 52.88 1q81 s ARG 65 Cb -0.42 -2.53 0.05 0.00 0.06 0.00 0.00 34.95 32.10 1q81 s ARG 65 CO 0.31 -0.05 0.49 1.03 -2.50 0.00 0.00 175.30 174.58 1q81 s ARG 66 N 0.92 0.86 0.29 5.12 0.52 -0.89 -5.01 118.95 120.76 1q81 s ARG 66 Ca -0.04 0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 54.94 1q81 s ARG 66 Cb -0.15 0.39 -0.09 0.00 0.52 0.00 0.00 34.95 35.62 1q81 s ARG 66 CO -0.03 -0.25 0.90 -0.51 0.02 0.00 0.00 175.30 175.42 1q81 s LEU 67 N -1.25 4.40 0.02 2.53 1.43 -1.26 -1.99 118.68 122.55 1q81 s LEU 67 Ca -0.12 1.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1q81 s LEU 67 Cb -0.03 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1q81 s LEU 67 CO 0.07 -0.01 -0.18 -0.63 0.23 0.00 0.00 176.35 175.83 1q81 s ILE 68 N -1.52 1.46 -0.41 -0.59 1.01 0.27 -4.74 121.20 116.69 1q81 s ILE 68 Ca 0.47 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 1q81 s ILE 68 Cb -0.20 -1.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 1q81 s ILE 68 CO 0.25 0.27 2.27 -0.22 0.00 0.00 0.00 174.94 177.51 1q81 s LEU 69 N -0.80 3.41 -0.12 2.97 2.96 -1.26 -1.95 118.68 123.88 1q81 s LEU 69 Ca 0.06 1.27 -0.22 0.00 -0.22 0.00 0.00 54.13 55.02 1q81 s LEU 69 Cb -0.08 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1q81 s LEU 69 CO 0.00 -2.50 0.66 0.00 -1.32 0.00 0.00 176.35 173.19 1q81 s ALA 70 N 10.50 3.44 0.43 5.97 0.00 -1.26 -4.94 121.76 135.90 1q81 s ALA 70 Ca 0.95 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 1q81 s ALA 70 Cb -0.22 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1q81 s ALA 70 CO 0.29 -0.28 1.05 -2.14 0.00 0.00 0.00 175.76 174.68 1q81 s PRO 71 N 1.24 4.04 0.51 0.00 0.02 -1.26 -0.99 135.00 138.56 1q81 s PRO 71 Ca 0.33 1.47 -0.22 0.00 0.02 0.00 0.00 61.00 62.60 1q81 s PRO 71 Cb -0.17 -2.39 -0.08 0.00 0.02 0.00 0.00 34.50 31.89 1q81 s PRO 71 CO 0.14 -0.24 1.03 -1.91 -0.33 0.00 0.00 177.00 175.68 1q81 n GLU 72 N -0.37 1.23 -0.86 5.54 2.13 0.22 -3.03 120.64 125.50 1q81 n GLU 72 Ca 0.06 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1q81 n GLU 72 Cb 0.50 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1q81 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q81 n GLY 73 N 1.17 0.51 3.89 8.31 0.00 -1.26 -4.81 105.19 113.01 1q81 n GLY 73 Ca 0.11 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1q81 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 74 N -2.00 5.35 0.26 1.61 1.01 -1.17 -5.04 120.40 120.43 1q81 s VAL 74 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1q81 s VAL 74 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1q81 s VAL 74 CO 0.00 0.35 0.16 -0.83 0.00 0.00 0.00 175.10 174.78 1q81 s GLY 75 N -1.78 1.81 0.41 4.51 0.00 -1.26 -5.07 107.32 105.93 1q81 s GLY 75 Ca 0.27 -1.80 -0.26 0.00 0.00 0.00 0.00 44.72 42.93 1q81 s GLY 75 CO 0.17 -1.50 1.38 0.14 0.00 0.00 0.00 173.10 173.29 1q81 s VAL 76 N -3.83 2.33 0.00 1.40 1.01 -1.26 -2.51 120.40 117.54 1q81 s VAL 76 Ca 0.38 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1q81 s VAL 76 Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1q81 s VAL 76 CO 0.16 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1q81 n GLY 77 N 0.61 2.62 3.23 4.51 0.00 -0.16 -4.97 105.19 111.02 1q81 n GLY 77 Ca 0.03 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1q81 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 78 N 0.91 -3.66 -4.20 1.61 9.92 -1.04 -4.49 116.55 115.60 1q81 n ASP 78 Ca 0.00 0.22 -0.30 0.00 -0.53 0.00 0.00 54.79 54.18 1q81 n ASP 78 Cb 0.00 -0.98 -0.17 0.00 -0.64 0.00 0.00 41.12 39.33 1q81 n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1q81 s GLU 79 N -2.92 2.46 0.32 -1.24 2.12 -1.26 -1.35 118.70 116.83 1q81 s GLU 79 Ca 0.49 -0.79 0.10 0.00 0.36 0.00 0.00 54.97 55.13 1q81 s GLU 79 Cb -0.18 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 1q81 s GLU 79 CO 0.73 0.26 -0.08 -0.51 -0.54 0.00 0.00 175.26 175.12 1q81 s LEU 80 N 0.10 2.82 -0.05 2.70 1.43 -1.02 -4.96 118.68 119.70 1q81 s LEU 80 Ca -0.09 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 51.94 1q81 s LEU 80 Cb -0.15 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.87 1q81 s LEU 80 CO 0.05 -0.12 0.14 -1.10 0.23 0.00 0.00 176.35 175.55 1q81 s GLN 81 N -3.62 0.16 -0.24 1.70 -0.21 -1.26 -2.13 119.66 114.06 1q81 s GLN 81 Ca 0.32 0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.93 1q81 s GLN 81 Cb -0.01 0.06 0.06 0.00 1.00 0.00 0.00 33.01 34.12 1q81 s GLN 81 CO 0.17 -0.03 -0.07 0.08 -2.12 0.00 0.00 175.29 173.32 1q81 s VAL 82 N 0.16 1.72 0.00 1.09 1.01 -0.12 -2.01 120.40 122.24 1q81 s VAL 82 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1q81 s VAL 82 Cb -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1q81 s VAL 82 CO -0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1q81 n GLY 83 N 4.61 -0.49 0.23 4.51 0.00 -0.58 -4.23 105.19 109.24 1q81 n GLY 83 Ca -0.13 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.80 1q81 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q81 h VAL 84 N 2.00 1.17 -0.57 1.61 2.07 -1.87 -2.75 116.25 117.91 1q81 h VAL 84 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1q81 h VAL 84 Cb 0.00 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1q81 h VAL 84 CO 0.00 0.23 0.00 0.47 0.02 0.00 0.00 177.57 178.29 1q81 n ASP 85 N -4.28 3.93 -4.63 0.57 8.00 -1.26 -4.86 116.55 114.02 1q81 n ASP 85 Ca -0.01 -2.21 -0.38 0.00 0.71 0.00 0.00 54.79 52.89 1q81 n ASP 85 Cb 0.27 -0.45 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1q81 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q81 n ALA 86 N 1.03 0.38 -0.80 2.24 0.00 -1.04 -4.94 120.51 117.38 1q81 n ALA 86 Ca 0.21 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 1q81 n ALA 86 Cb 0.67 -2.15 0.21 0.00 0.00 0.00 0.00 19.45 18.19 1q81 n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1q81 s GLU 87 N -2.73 -0.11 -0.94 0.00 2.12 -1.26 -4.94 118.70 110.83 1q81 s GLU 87 Ca 0.74 0.83 -0.02 0.00 0.36 0.00 0.00 54.97 56.88 1q81 s GLU 87 Cb -0.43 -1.65 0.25 0.00 0.26 0.00 0.00 34.13 32.57 1q81 s GLU 87 CO 0.48 -3.18 0.98 -0.89 -0.54 0.00 0.00 175.26 172.11 1q81 n ILE 88 N -4.54 3.68 -4.27 -3.70 5.41 -1.26 -4.87 119.36 109.82 1q81 n ILE 88 Ca 0.05 -5.35 -0.15 0.00 1.00 0.00 0.00 62.75 58.31 1q81 n ILE 88 Cb 0.55 -2.32 -0.10 0.00 -0.71 0.00 0.00 39.64 37.06 1q81 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q81 s ALA 89 N -1.81 1.50 0.25 -1.39 0.00 -1.26 -5.11 121.76 113.95 1q81 s ALA 89 Ca 0.31 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 1q81 s ALA 89 Cb -0.02 0.94 -0.11 0.00 0.00 0.00 0.00 23.12 23.93 1q81 s ALA 89 CO -0.06 -0.44 1.55 -2.14 0.00 0.00 0.00 175.76 174.68 1q81 s PRO 90 N -4.02 4.18 0.00 0.00 0.02 -1.26 -2.63 135.00 131.30 1q81 s PRO 90 Ca 0.33 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1q81 s PRO 90 Cb 0.07 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1q81 s PRO 90 CO 0.10 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 1q81 n GLY 91 N 2.54 0.44 3.92 0.52 0.00 -1.12 -4.99 105.19 106.50 1q81 n GLY 91 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1q81 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q81 s ASN 92 N -2.41 6.41 -0.05 1.61 -0.87 -1.08 -4.60 114.94 113.95 1q81 s ASN 92 Ca 0.00 0.39 0.05 0.00 -1.57 0.00 0.00 52.86 51.73 1q81 s ASN 92 Cb 0.00 -2.01 -0.01 0.00 -0.02 0.00 0.00 41.25 39.22 1q81 s ASN 92 CO 0.00 0.09 -0.21 -0.89 -2.57 0.00 0.00 177.10 173.52 1q81 s THR 93 N -1.63 1.75 -0.07 1.60 2.01 -0.85 -1.40 115.64 117.05 1q81 s THR 93 Ca 0.38 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 1q81 s THR 93 Cb -0.12 -1.49 0.11 0.00 0.01 0.00 0.00 72.50 71.00 1q81 s THR 93 CO 0.27 0.49 0.90 -1.48 -0.69 0.00 0.00 174.62 174.12 1q81 s LEU 94 N -0.04 -0.40 0.56 4.42 2.34 -0.98 -1.53 118.68 123.04 1q81 s LEU 94 Ca -0.04 0.24 -0.19 0.00 0.06 0.00 0.00 54.13 54.20 1q81 s LEU 94 Cb -0.13 2.03 -0.09 0.00 -0.56 0.00 0.00 46.19 47.44 1q81 s LEU 94 CO 0.03 -0.51 0.59 -0.81 -1.06 0.00 0.00 176.35 174.59 1q81 n PRO 95 N 0.27 0.59 0.21 1.48 -0.04 -1.26 -2.57 135.00 133.67 1q81 n PRO 95 Ca -0.11 0.23 0.17 0.00 -0.04 0.00 0.00 63.50 63.75 1q81 n PRO 95 Cb 0.60 -1.75 0.84 0.00 -0.04 0.00 0.00 33.50 33.14 1q81 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1q81 h LEU 96 N 0.36 0.00 -0.19 1.53 3.38 -0.95 -1.84 115.31 117.60 1q81 h LEU 96 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1q81 h LEU 96 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1q81 h LEU 96 CO 0.48 0.00 0.08 0.00 0.09 0.00 0.00 178.44 179.09 1q81 h ALA 97 N 1.77 0.24 0.00 1.53 0.00 -1.73 -2.58 119.26 118.50 1q81 h ALA 97 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q81 h ALA 97 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1q81 h ALA 97 CO -0.00 -0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.01 1q81 h GLU 98 N 0.15 0.00 -6.74 0.00 4.39 -1.63 -3.44 114.58 107.31 1q81 h GLU 98 Ca 0.06 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.26 1q81 h GLU 98 Cb 0.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1q81 h GLU 98 CO -0.01 0.00 0.41 0.42 -1.16 0.00 0.00 179.01 178.67 1q81 s ILE 99 N -3.45 3.89 -0.12 3.13 -1.09 -0.97 -5.01 121.20 117.58 1q81 s ILE 99 Ca 0.04 1.83 -0.30 0.00 -2.23 0.00 0.00 60.65 59.99 1q81 s ILE 99 Cb 0.09 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1q81 s ILE 99 CO 0.51 0.41 1.17 -2.16 -1.23 0.00 0.00 174.94 173.64 1q81 s PRO 100 N -1.05 4.31 0.57 2.79 0.04 -1.26 -4.97 135.00 135.43 1q81 s PRO 100 Ca 0.44 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1q81 s PRO 100 Cb -0.28 -3.63 -0.11 0.00 0.04 0.00 0.00 34.50 30.52 1q81 s PRO 100 CO 0.35 -0.53 0.24 0.39 0.04 0.00 0.00 177.00 177.49 1q81 n GLU 101 N 5.75 0.28 -0.65 4.56 1.02 -1.26 -2.60 120.64 127.74 1q81 n GLU 101 Ca 0.12 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1q81 n GLU 101 Cb 0.46 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1q81 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q81 n GLY 102 N 2.09 0.89 3.89 0.62 0.00 0.22 -5.04 105.19 107.87 1q81 n GLY 102 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1q81 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 103 N -3.33 5.47 0.01 1.61 1.01 -1.07 -4.91 120.40 119.18 1q81 s VAL 103 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1q81 s VAL 103 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1q81 s VAL 103 CO 0.00 0.45 1.25 -2.84 0.00 0.00 0.00 175.10 173.97 1q81 s PRO 104 N -1.54 4.36 0.39 2.72 0.02 -1.26 -3.10 135.00 136.59 1q81 s PRO 104 Ca 0.22 1.79 0.04 0.00 0.02 0.00 0.00 61.00 63.07 1q81 s PRO 104 Cb -0.12 -3.47 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 1q81 s PRO 104 CO 0.12 -0.41 0.08 0.08 -0.33 0.00 0.00 177.00 176.54 1q81 s VAL 105 N 1.79 0.99 0.17 3.83 1.01 -0.78 0.04 120.40 127.45 1q81 s VAL 105 Ca 0.59 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.35 1q81 s VAL 105 Cb -0.28 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.63 1q81 s VAL 105 CO 0.26 0.00 0.61 0.00 0.00 0.00 0.00 175.10 175.97 1q81 n ASN 107 N -0.38 -5.49 -4.72 0.00 5.15 0.67 -0.19 115.26 110.29 1q81 n ASN 107 Ca -0.15 -0.88 -0.40 0.00 -0.60 0.00 0.00 54.58 52.54 1q81 n ASN 107 Cb 0.64 -4.14 -0.05 0.00 -0.53 0.00 0.00 39.78 35.71 1q81 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1q81 s VAL 108 N -3.45 4.99 0.37 3.44 1.01 -0.25 -3.97 120.40 122.54 1q81 s VAL 108 Ca 0.43 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.63 1q81 s VAL 108 Cb -0.11 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 1q81 s VAL 108 CO 0.81 0.27 1.19 -1.61 0.00 0.00 0.00 175.10 175.76 1q81 s GLU 109 N 0.62 4.18 0.13 2.72 2.02 -0.82 0.17 118.70 127.72 1q81 s GLU 109 Ca 0.38 1.91 0.01 0.00 0.02 0.00 0.00 54.97 57.28 1q81 s GLU 109 Cb -0.18 -2.81 -0.11 0.00 0.10 0.00 0.00 34.13 31.12 1q81 s GLU 109 CO 0.19 -0.23 1.30 1.03 0.02 0.00 0.00 175.26 177.57 1q81 h SER 110 N 2.92 0.30 -3.86 -0.19 0.87 -1.92 -3.45 113.55 108.22 1q81 h SER 110 Ca -0.48 -0.27 -0.21 0.00 -1.23 0.00 0.00 61.79 59.59 1q81 h SER 110 Cb 1.23 -0.09 -0.27 0.00 -0.44 0.00 0.00 62.40 62.83 1q81 h SER 110 CO 0.64 1.12 -0.67 -0.94 -0.53 0.00 0.00 176.83 176.44 1q81 s SER 111 N -6.97 -0.02 0.09 6.23 1.04 -1.26 -4.78 113.70 108.03 1q81 s SER 111 Ca -0.03 0.03 -0.36 0.00 0.48 0.00 0.00 55.95 56.06 1q81 s SER 111 Cb 0.09 0.08 -0.17 0.00 0.10 0.00 0.00 66.02 66.12 1q81 s SER 111 CO 0.85 -0.04 1.27 -0.81 0.98 0.00 0.00 173.24 175.49 1q81 n PRO 112 N 2.92 1.02 0.00 4.02 -0.04 -1.26 -2.08 135.00 139.57 1q81 n PRO 112 Ca -0.13 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1q81 n PRO 112 Cb 0.59 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1q81 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q81 n GLY 113 N 2.32 2.80 0.00 0.55 0.00 -1.26 -4.92 105.19 104.68 1q81 n GLY 113 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1q81 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q81 n ASP 114 N 0.00 0.00 0.00 1.61 5.68 -0.89 -4.85 116.55 118.11 1q81 n ASP 114 Ca 0.00 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1q81 n ASP 114 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1q81 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q81 n GLY 115 N -0.39 0.87 0.00 6.12 0.00 -1.26 -4.87 105.19 105.66 1q81 n GLY 115 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1q81 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 116 N -2.00 2.53 1.48 -0.02 0.00 -1.26 -1.73 105.19 104.19 1q81 n GLY 116 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1q81 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q81 n LYS 117 N 1.75 0.00 -2.95 1.61 4.76 0.13 -4.83 118.16 118.63 1q81 n LYS 117 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1q81 n LYS 117 Cb 0.00 -0.19 -0.04 0.00 -1.84 0.00 0.00 35.03 32.95 1q81 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1q81 s PHE 118 N -1.87 3.44 -0.07 2.13 2.99 -0.29 -4.69 117.98 119.61 1q81 s PHE 118 Ca 0.00 1.10 -0.00 0.00 0.00 0.00 0.00 56.93 58.03 1q81 s PHE 118 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 43.02 40.55 1q81 s PHE 118 CO 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 175.22 175.18 1q81 n ALA 119 N -0.99 -2.35 -0.03 5.36 0.00 -1.26 -1.09 120.51 120.14 1q81 n ALA 119 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1q81 n ALA 119 Cb 0.54 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1q81 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q81 n ARG 120 N 1.16 3.20 -1.68 0.00 1.74 -1.26 0.24 116.66 120.07 1q81 n ARG 120 Ca -0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1q81 n ARG 120 Cb 0.38 -0.27 0.07 0.00 -1.02 0.00 0.00 32.46 31.62 1q81 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q81 s ALA 121 N 0.00 2.51 -0.42 7.54 0.00 -1.26 -4.91 121.76 125.22 1q81 s ALA 121 Ca 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 51.96 51.33 1q81 s ALA 121 Cb 0.00 -3.08 -0.17 0.00 0.00 0.00 0.00 23.12 19.87 1q81 s ALA 121 CO 0.00 -1.49 1.51 0.43 0.00 0.00 0.00 175.76 176.21 1q81 n SER 122 N -3.26 0.88 -0.05 0.00 7.64 -1.26 -1.97 113.62 115.60 1q81 n SER 122 Ca 0.07 0.85 -0.01 0.00 1.01 0.00 0.00 58.87 60.79 1q81 n SER 122 Cb 0.56 -0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1q81 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q81 n GLY 123 N 4.40 0.12 3.96 0.23 0.00 -0.19 -4.61 105.19 109.09 1q81 n GLY 123 Ca 0.33 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1q81 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q81 s VAL 124 N -1.16 2.31 -0.16 1.61 -7.23 -0.83 -4.68 120.40 110.27 1q81 s VAL 124 Ca 0.00 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 1q81 s VAL 124 Cb 0.00 -2.86 0.13 0.00 0.56 0.00 0.00 36.38 34.21 1q81 s VAL 124 CO 0.00 0.00 1.01 0.54 -0.31 0.00 0.00 175.10 176.34 1q81 s ASN 125 N -4.59 -0.35 0.50 4.85 2.20 -1.26 -1.52 114.94 114.77 1q81 s ASN 125 Ca 0.62 0.35 0.03 0.00 -0.94 0.00 0.00 52.86 52.93 1q81 s ASN 125 Cb -0.08 0.29 0.02 0.00 -2.00 0.00 0.00 41.25 39.48 1q81 s ASN 125 CO 0.44 -0.34 0.70 0.00 -2.94 0.00 0.00 177.10 174.96 1q81 s ALA 126 N -1.26 4.07 -0.14 3.54 0.00 0.15 -4.09 121.76 124.03 1q81 s ALA 126 Ca -0.01 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.55 1q81 s ALA 126 Cb -0.01 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1q81 s ALA 126 CO 0.00 -0.57 -0.08 -1.14 0.00 0.00 0.00 175.76 173.97 1q81 s GLN 127 N -4.62 1.67 -0.40 0.00 2.00 -0.66 -1.87 119.66 115.79 1q81 s GLN 127 Ca 0.56 -0.43 -0.28 0.00 -2.00 0.00 0.00 55.36 53.20 1q81 s GLN 127 Cb -0.10 -1.87 0.02 0.00 0.80 0.00 0.00 33.01 31.86 1q81 s GLN 127 CO 0.37 -0.32 1.06 -1.17 -0.50 0.00 0.00 175.29 174.73 1q81 s LEU 128 N 1.62 3.83 -0.06 3.68 2.96 -1.18 -0.19 118.68 129.34 1q81 s LEU 128 Ca 0.03 0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 54.55 1q81 s LEU 128 Cb -0.14 -3.47 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1q81 s LEU 128 CO -0.09 -1.04 -0.11 0.18 -1.32 0.00 0.00 176.35 173.97 1q81 n LEU 129 N 7.27 0.63 -4.62 -0.68 4.77 -0.44 -0.61 117.00 123.32 1q81 n LEU 129 Ca 0.11 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1q81 n LEU 129 Cb 0.48 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1q81 n LEU 129 CO 0.64 -0.43 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.01 1q81 s THR 130 N -1.61 3.72 0.36 -5.08 2.01 -1.14 -4.56 115.64 109.34 1q81 s THR 130 Ca -0.09 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 60.98 1q81 s THR 130 Cb 0.01 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.86 1q81 s THR 130 CO 0.14 0.24 0.27 1.41 -0.69 0.00 0.00 174.62 175.99 1q81 n HIS 131 N 1.03 -0.94 0.00 4.92 8.25 -1.26 -1.40 115.22 125.82 1q81 n HIS 131 Ca -0.13 -1.52 0.00 0.00 -0.26 0.00 0.00 57.72 55.80 1q81 n HIS 131 Cb 0.52 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1q81 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1q81 n ASP 132 N -1.91 0.00 -0.09 0.41 -0.08 -1.23 -4.82 116.55 108.83 1q81 n ASP 132 Ca -0.01 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.37 1q81 n ASP 132 Cb 0.41 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.84 1q81 n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1q81 n ARG 133 N -0.77 0.23 0.00 -0.67 1.74 -1.26 -4.54 116.66 111.38 1q81 n ARG 133 Ca 0.00 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1q81 n ARG 133 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1q81 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1q81 n ASN 134 N -1.23 3.72 -3.88 0.55 3.02 -1.26 -4.95 115.26 111.23 1q81 n ASN 134 Ca 0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.42 1q81 n ASN 134 Cb 0.35 0.12 -0.16 0.00 -0.61 0.00 0.00 39.78 39.48 1q81 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q81 s VAL 135 N -1.87 0.39 -0.39 2.41 0.11 -1.26 -4.38 120.40 115.40 1q81 s VAL 135 Ca 0.00 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1q81 s VAL 135 Cb 0.00 -0.42 0.08 0.00 -1.53 0.00 0.00 36.38 34.51 1q81 s VAL 135 CO 0.00 0.18 0.19 0.00 -3.33 0.00 0.00 175.10 172.13 1q81 s ALA 136 N 0.74 3.15 -0.08 1.54 0.00 0.15 -3.53 121.76 123.74 1q81 s ALA 136 Ca -0.09 -2.16 -0.30 0.00 0.00 0.00 0.00 51.96 49.42 1q81 s ALA 136 Cb -0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1q81 s ALA 136 CO -0.00 -1.60 1.05 0.08 0.00 0.00 0.00 175.76 175.29 1q81 s VAL 137 N 1.32 4.65 0.01 0.00 1.01 -0.49 -1.07 120.40 125.83 1q81 s VAL 137 Ca 0.03 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.99 1q81 s VAL 137 Cb -0.22 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1q81 s VAL 137 CO -0.00 0.02 -0.19 -0.69 0.00 0.00 0.00 175.10 174.25 1q81 s VAL 138 N 1.91 1.48 -0.45 2.92 1.01 0.38 -1.32 120.40 126.32 1q81 s VAL 138 Ca 0.51 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1q81 s VAL 138 Cb -0.20 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.01 1q81 s VAL 138 CO 0.20 0.30 0.32 -0.75 0.00 0.00 0.00 175.10 175.18 1q81 s LYS 139 N -0.73 2.70 0.68 2.72 2.20 0.73 0.66 119.74 128.70 1q81 s LYS 139 Ca 0.07 -1.50 -0.14 0.00 -0.36 0.00 0.00 55.97 54.04 1q81 s LYS 139 Cb -0.08 -3.92 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 1q81 s LYS 139 CO 0.00 -1.04 1.10 -0.51 -0.36 0.00 0.00 175.35 174.54 1q81 s LEU 140 N 1.48 3.31 0.63 5.43 1.43 -0.62 -1.66 118.68 128.69 1q81 s LEU 140 Ca 0.04 1.92 0.24 0.00 -1.03 0.00 0.00 54.13 55.29 1q81 s LEU 140 Cb -0.24 -4.54 1.16 0.00 0.03 0.00 0.00 46.19 42.60 1q81 s LEU 140 CO 0.03 -1.65 1.63 1.55 0.23 0.00 0.00 176.35 178.15 1q81 h PRO 141 N -0.20 0.00 0.00 1.29 0.13 -1.90 0.89 132.00 132.21 1q81 h PRO 141 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1q81 h PRO 141 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1q81 h PRO 141 CO 0.54 0.00 -0.22 0.66 -0.23 0.00 0.00 178.00 178.75 1q81 h SER 142 N 0.00 0.00 0.00 1.44 4.64 -1.94 -3.46 113.55 114.22 1q81 h SER 142 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1q81 h SER 142 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1q81 h SER 142 CO -0.00 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 1q81 n GLY 143 N 0.35 1.89 3.76 -0.77 0.00 0.31 -5.09 105.19 105.64 1q81 n GLY 143 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1q81 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q81 s GLU 144 N -0.40 3.53 -0.26 1.61 2.12 -1.24 -4.72 118.70 119.34 1q81 s GLU 144 Ca 0.00 2.04 -0.19 0.00 0.36 0.00 0.00 54.97 57.17 1q81 s GLU 144 Cb 0.00 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.97 1q81 s GLU 144 CO 0.00 -0.81 0.59 -1.64 -0.54 0.00 0.00 175.26 172.86 1q81 s MET 145 N -2.71 4.07 -0.16 4.30 -1.94 -1.26 -1.58 119.30 120.01 1q81 s MET 145 Ca 0.66 0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 55.05 1q81 s MET 145 Cb -0.35 -3.66 -0.02 0.00 2.01 0.00 0.00 34.83 32.81 1q81 s MET 145 CO 0.43 -0.41 -0.08 0.21 -0.01 0.00 0.00 175.02 175.15 1q81 s LYS 146 N 2.45 3.47 -0.23 2.03 2.47 0.21 -4.96 119.74 125.18 1q81 s LYS 146 Ca 0.24 -0.62 -0.20 0.00 -1.56 0.00 0.00 55.97 53.83 1q81 s LYS 146 Cb -0.15 -2.82 -0.02 0.00 -1.46 0.00 0.00 37.83 33.37 1q81 s LYS 146 CO 0.09 0.10 0.62 1.03 0.16 0.00 0.00 175.35 177.36 1q81 s ARG 147 N 0.68 4.16 0.03 4.03 0.52 -1.26 -0.47 118.95 126.63 1q81 s ARG 147 Ca -0.04 0.57 0.05 0.00 -0.52 0.00 0.00 55.73 55.78 1q81 s ARG 147 Cb -0.15 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.69 1q81 s ARG 147 CO 0.02 -0.32 -0.14 -0.51 0.02 0.00 0.00 175.30 174.37 1q81 s LEU 148 N 2.19 2.13 0.20 2.53 1.43 -0.23 -4.94 118.68 122.00 1q81 s LEU 148 Ca 0.27 -0.40 -0.33 0.00 -1.03 0.00 0.00 54.13 52.65 1q81 s LEU 148 Cb -0.16 -0.62 -0.14 0.00 0.03 0.00 0.00 46.19 45.31 1q81 s LEU 148 CO 0.09 0.07 1.50 -0.67 0.23 0.00 0.00 176.35 177.57 1q81 n ASP 149 N 2.13 2.95 0.00 2.29 -0.08 -1.26 0.34 116.55 122.92 1q81 n ASP 149 Ca -0.17 1.11 0.02 0.00 -1.51 0.00 0.00 54.79 54.24 1q81 n ASP 149 Cb 0.55 -1.43 0.09 0.00 2.34 0.00 0.00 41.12 42.67 1q81 n ASP 149 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1q81 n PRO 150 N 2.73 0.00 0.18 -0.67 -0.04 -1.26 -1.59 135.00 134.35 1q81 n PRO 150 Ca 0.14 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 64.10 1q81 n PRO 150 Cb 0.30 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1q81 n PRO 150 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1q81 h GLN 151 N 0.00 0.00 -6.28 0.54 5.75 -1.95 -2.53 115.11 110.64 1q81 h GLN 151 Ca 0.00 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.86 1q81 h GLN 151 Cb 0.07 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.65 1q81 h GLN 151 CO 0.00 0.26 0.95 0.00 -2.65 0.00 0.00 178.83 177.38 1q81 s ARG 153 N 3.09 4.26 0.18 0.00 0.52 -1.26 -0.85 118.95 124.89 1q81 s ARG 153 Ca 0.91 1.07 -0.07 0.00 -0.52 0.00 0.00 55.73 57.11 1q81 s ARG 153 Cb -0.80 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1q81 s ARG 153 CO 0.52 0.09 0.26 0.00 0.02 0.00 0.00 175.30 176.19 1q81 s ALA 154 N -2.00 0.24 -0.05 2.13 0.00 -1.06 -1.95 121.76 119.06 1q81 s ALA 154 Ca 0.57 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1q81 s ALA 154 Cb -0.11 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1q81 s ALA 154 CO 0.16 -0.65 -0.06 0.99 0.00 0.00 0.00 175.76 176.21 1q81 s THR 155 N -4.01 3.80 0.29 0.00 2.01 0.74 -2.32 115.64 116.14 1q81 s THR 155 Ca 0.22 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.43 1q81 s THR 155 Cb 0.04 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.87 1q81 s THR 155 CO 0.03 0.55 1.02 -0.63 -0.69 0.00 0.00 174.62 174.90 1q81 s ILE 156 N -0.87 3.82 0.00 1.82 1.01 -0.49 0.68 121.20 127.17 1q81 s ILE 156 Ca 0.14 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1q81 s ILE 156 Cb -0.11 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1q81 s ILE 156 CO 0.03 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1q81 n GLY 157 N 1.07 -2.64 3.59 6.18 0.00 0.11 -2.77 105.19 110.73 1q81 n GLY 157 Ca -0.00 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1q81 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q81 s VAL 158 N -0.38 3.74 0.57 1.61 -7.23 -1.26 -3.31 120.40 114.14 1q81 s VAL 158 Ca 0.00 -0.53 -0.18 0.00 -1.81 0.00 0.00 61.98 59.46 1q81 s VAL 158 Cb 0.00 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 1q81 s VAL 158 CO 0.00 0.55 0.40 0.52 -0.31 0.00 0.00 175.10 176.26 1q81 n VAL 159 N 2.04 1.83 -1.35 1.32 0.31 -0.58 0.70 118.33 122.60 1q81 n VAL 159 Ca -0.17 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.37 1q81 n VAL 159 Cb 0.53 -0.56 0.19 0.00 -0.91 0.00 0.00 33.84 33.09 1q81 n VAL 159 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q81 s GLY 160 N -1.15 1.61 -0.18 2.92 0.00 -0.16 -2.86 107.32 107.49 1q81 s GLY 160 Ca 0.66 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1q81 s GLY 160 CO 0.57 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.23 1q81 n GLY 161 N -1.75 0.48 3.12 0.20 0.00 -1.26 -1.03 105.19 104.96 1q81 n GLY 161 Ca 0.10 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1q81 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 162 N -1.82 -3.80 2.96 -0.02 0.00 -1.26 -3.16 105.19 98.09 1q81 n GLY 162 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1q81 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 163 N 2.90 0.75 0.50 -0.02 0.00 -1.26 -4.89 105.19 103.17 1q81 n GLY 163 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1q81 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q81 h ARG 164 N 2.18 -1.00 0.00 1.61 2.43 -1.90 -1.69 114.38 116.01 1q81 h ARG 164 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1q81 h ARG 164 Cb 0.03 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1q81 h ARG 164 CO 0.00 -0.67 0.56 1.15 -1.51 0.00 0.00 179.97 179.51 1q81 h THR 165 N -1.04 0.00 -0.09 0.20 2.02 -1.91 -2.64 112.91 109.45 1q81 h THR 165 Ca -0.07 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1q81 h THR 165 Cb 0.89 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1q81 h THR 165 CO -0.04 0.00 -0.45 0.44 0.37 0.00 0.00 175.52 175.84 1q81 h ASP 166 N 0.00 0.23 -3.49 4.18 3.32 -1.71 -3.43 116.42 115.51 1q81 h ASP 166 Ca 0.00 -0.10 -0.61 0.00 0.02 0.00 0.00 57.03 56.33 1q81 h ASP 166 Cb 1.13 -0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 1q81 h ASP 166 CO 0.00 0.65 -0.47 -0.75 -1.72 0.00 0.00 179.24 176.95 1q81 s LYS 167 N -4.06 4.11 0.54 3.56 2.20 -1.00 -5.08 119.74 120.01 1q81 s LYS 167 Ca -0.04 -0.21 -0.21 0.00 -0.36 0.00 0.00 55.97 55.15 1q81 s LYS 167 Cb 0.13 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1q81 s LYS 167 CO 0.77 0.12 1.26 -1.25 -0.36 0.00 0.00 175.35 175.89 1q81 s PRO 168 N 0.89 3.26 0.61 4.03 0.04 -1.26 -4.89 135.00 137.67 1q81 s PRO 168 Ca 0.09 1.99 0.39 0.00 0.04 0.00 0.00 61.00 63.50 1q81 s PRO 168 Cb -0.13 -2.20 1.95 0.00 0.04 0.00 0.00 34.50 34.15 1q81 s PRO 168 CO 0.03 -1.02 2.21 0.74 0.04 0.00 0.00 177.00 179.00 1q81 h PHE 169 N 1.45 0.00 0.00 0.56 -1.00 -1.97 -3.45 116.94 112.53 1q81 h PHE 169 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1q81 h PHE 169 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 1q81 h PHE 169 CO 0.48 0.02 0.00 0.28 -1.61 0.00 0.00 178.31 177.48 1q81 n VAL 170 N -3.18 0.00 -3.74 -0.55 0.31 -1.26 -4.63 118.33 105.28 1q81 n VAL 170 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1q81 n VAL 170 Cb 0.17 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.01 1q81 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1q81 s LYS 171 N 0.00 0.66 0.24 5.55 -2.85 -1.26 -5.05 119.74 117.02 1q81 s LYS 171 Ca 0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 55.97 54.80 1q81 s LYS 171 Cb 0.00 0.30 0.31 0.00 -2.06 0.00 0.00 37.83 36.37 1q81 s LYS 171 CO 0.00 -0.17 1.59 0.00 0.10 0.00 0.00 175.35 176.87 1q81 h ALA 172 N 4.08 0.42 -1.40 0.59 0.00 -2.01 0.23 119.26 121.17 1q81 h ALA 172 Ca -0.29 0.29 0.44 0.00 0.00 0.00 0.00 54.91 55.35 1q81 h ALA 172 Cb 1.18 0.68 -0.11 0.00 0.00 0.00 0.00 17.79 19.54 1q81 h ALA 172 CO 0.38 -0.46 0.94 0.78 0.00 0.00 0.00 179.25 180.88 1q81 h GLY 173 N -0.02 0.95 0.55 0.00 0.00 -1.97 0.38 103.07 102.96 1q81 h GLY 173 Ca 0.37 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1q81 h GLY 173 CO -0.83 -0.27 -0.17 3.43 0.00 0.00 0.00 176.54 178.69 1q81 h ASN 174 N 0.09 0.23 -0.22 0.19 2.35 -1.20 -2.83 115.58 114.18 1q81 h ASN 174 Ca 0.80 -0.64 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1q81 h ASN 174 Cb 2.67 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 40.94 1q81 h ASN 174 CO -0.30 0.83 0.02 0.11 -1.65 0.00 0.00 177.43 176.44 1q81 h LYS 175 N -0.36 0.10 -0.99 0.81 1.79 -1.08 -1.65 116.57 115.18 1q81 h LYS 175 Ca -0.01 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1q81 h LYS 175 Cb 0.82 -0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.33 1q81 h LYS 175 CO 0.04 0.06 -0.59 1.25 -1.08 0.00 0.00 179.45 179.13 1q81 h HIS 176 N 0.10 -1.89 -0.98 -1.35 2.76 -1.01 0.63 115.15 113.41 1q81 h HIS 176 Ca 0.10 0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1q81 h HIS 176 Cb 0.12 0.96 -0.05 0.00 1.55 0.00 0.00 27.41 29.98 1q81 h HIS 176 CO -0.17 -0.37 0.62 0.45 -1.30 0.00 0.00 177.93 177.17 1q81 h HIS 177 N -0.00 1.26 -0.20 5.26 3.86 -1.20 -2.10 115.15 122.02 1q81 h HIS 177 Ca 0.16 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1q81 h HIS 177 Cb 0.41 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1q81 h HIS 177 CO -1.03 0.81 0.00 -0.22 0.86 0.00 0.00 177.93 178.36 1q81 h LYS 178 N 1.34 0.36 0.00 2.45 3.64 -0.06 -2.89 116.57 121.41 1q81 h LYS 178 Ca 0.36 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1q81 h LYS 178 Cb -0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1q81 h LYS 178 CO -0.07 0.55 0.00 -0.12 -2.27 0.00 0.00 179.45 177.54 1q81 n MET 179 N -4.69 0.07 0.00 1.90 1.56 0.20 -1.30 117.12 114.87 1q81 n MET 179 Ca -0.04 0.49 0.14 0.00 -0.27 0.00 0.00 57.70 58.01 1q81 n MET 179 Cb 0.23 -1.70 0.49 0.00 2.15 0.00 0.00 33.22 34.39 1q81 n MET 179 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1q81 n LYS 180 N -1.85 1.07 -0.55 2.12 4.81 -0.83 -3.30 118.16 119.64 1q81 n LYS 180 Ca 0.00 -0.57 0.04 0.00 -0.87 0.00 0.00 58.31 56.91 1q81 n LYS 180 Cb 0.07 -1.49 0.22 0.00 0.02 0.00 0.00 35.03 33.86 1q81 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q81 n ALA 181 N -0.47 3.45 -3.03 3.14 0.00 -0.42 -4.82 120.51 118.36 1q81 n ALA 181 Ca 0.15 -2.69 -0.12 0.00 0.00 0.00 0.00 53.44 50.78 1q81 n ALA 181 Cb 0.33 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 1q81 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1q81 s ARG 182 N -3.01 0.21 -0.55 0.00 1.81 -1.21 -4.66 118.95 111.54 1q81 s ARG 182 Ca 0.42 0.09 -0.23 0.00 -1.72 0.00 0.00 55.73 54.29 1q81 s ARG 182 Cb 0.36 0.10 -0.21 0.00 -0.45 0.00 0.00 34.95 34.75 1q81 s ARG 182 CO 0.04 -0.03 1.82 0.41 -0.68 0.00 0.00 175.30 176.86 1q81 n GLY 183 N 2.74 2.02 3.20 -3.53 0.00 -1.26 -4.75 105.19 103.61 1q81 n GLY 183 Ca -0.14 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 1q81 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s THR 184 N 5.48 0.10 -0.23 2.61 2.01 -1.26 -4.76 115.64 119.59 1q81 s THR 184 Ca 0.59 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 1q81 s THR 184 Cb 0.14 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1q81 s THR 184 CO 0.17 -0.44 0.31 -0.75 -0.69 0.00 0.00 174.62 173.22 1q81 s LYS 185 N -2.38 4.11 -0.05 4.92 2.47 -1.26 -4.85 119.74 122.69 1q81 s LYS 185 Ca -0.06 -0.00 -0.05 0.00 -1.56 0.00 0.00 55.97 54.30 1q81 s LYS 185 Cb -0.02 -3.56 0.02 0.00 -1.46 0.00 0.00 37.83 32.81 1q81 s LYS 185 CO -0.03 -0.04 0.14 -0.46 0.16 0.00 0.00 175.35 175.12 1q81 s TRP 186 N 1.34 -0.15 0.71 4.03 -0.00 -1.26 -4.65 118.94 118.95 1q81 s TRP 186 Ca 0.14 0.38 -0.12 0.00 -0.00 0.00 0.00 56.10 56.50 1q81 s TRP 186 Cb -0.14 0.04 0.17 0.00 -0.00 0.00 0.00 33.47 33.54 1q81 s TRP 186 CO 0.07 -0.08 0.74 -0.35 -0.00 0.00 0.00 176.95 177.32 1q81 n PRO 187 N 3.11 -1.79 -5.03 5.86 -0.04 -1.26 -5.09 135.00 130.76 1q81 n PRO 187 Ca -0.14 -1.16 -0.30 0.00 -0.04 0.00 0.00 63.50 61.87 1q81 n PRO 187 Cb 0.58 -0.96 -0.17 0.00 -0.04 0.00 0.00 33.50 32.92 1q81 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1q81 s ASN 188 N -3.59 2.67 -0.22 3.54 0.01 -1.26 -5.11 114.94 110.98 1q81 s ASN 188 Ca 0.45 -0.47 -0.13 0.00 -0.71 0.00 0.00 52.86 52.01 1q81 s ASN 188 Cb -0.03 -1.12 -0.05 0.00 0.41 0.00 0.00 41.25 40.46 1q81 s ASN 188 CO 0.34 0.14 0.25 -0.69 -1.51 0.00 0.00 177.10 175.62 1q81 s VAL 189 N 0.33 5.31 0.30 1.60 1.01 -1.26 -5.04 120.40 122.64 1q81 s VAL 189 Ca -0.15 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1q81 s VAL 189 Cb -0.16 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1q81 s VAL 189 CO 0.06 0.32 1.48 0.54 0.00 0.00 0.00 175.10 177.51 1q81 n ARG 190 N 4.23 2.43 0.07 2.72 1.74 -1.26 -4.89 116.66 121.70 1q81 n ARG 190 Ca -0.13 0.86 0.06 0.00 -0.77 0.00 0.00 57.85 57.87 1q81 n ARG 190 Cb 0.52 -2.57 0.50 0.00 -1.02 0.00 0.00 32.46 29.88 1q81 n ARG 190 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1q81 h GLY 191 N 4.01 0.40 1.08 -0.13 0.00 -1.96 -0.25 103.07 106.22 1q81 h GLY 191 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1q81 h GLY 191 CO 0.73 0.14 0.00 -0.62 0.00 0.00 0.00 176.54 176.79 1q81 n VAL 192 N -4.49 0.04 -0.05 4.60 0.31 -1.26 -2.06 118.33 115.42 1q81 n VAL 192 Ca 0.02 0.01 0.09 0.00 -0.01 0.00 0.00 64.34 64.45 1q81 n VAL 192 Cb 0.10 -0.62 0.21 0.00 -0.91 0.00 0.00 33.84 32.62 1q81 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q81 n ALA 193 N -1.04 2.33 -3.59 3.52 0.00 -0.11 -4.67 120.51 116.96 1q81 n ALA 193 Ca 0.18 -1.10 -0.22 0.00 0.00 0.00 0.00 53.44 52.29 1q81 n ALA 193 Cb 0.10 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 18.87 1q81 n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1q81 n MET 194 N 1.14 0.78 -2.65 0.00 2.81 -0.87 -4.98 117.12 113.34 1q81 n MET 194 Ca 0.17 -2.75 -0.22 0.00 -1.81 0.00 0.00 57.70 53.09 1q81 n MET 194 Cb 0.52 0.15 0.07 0.00 -0.71 0.00 0.00 33.22 33.26 1q81 n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1q81 s ASN 195 N -3.74 4.85 0.11 7.83 0.01 -1.26 -2.58 114.94 120.15 1q81 s ASN 195 Ca 0.33 -0.24 -0.23 0.00 -0.71 0.00 0.00 52.86 52.01 1q81 s ASN 195 Cb -0.03 -0.39 -0.09 0.00 0.41 0.00 0.00 41.25 41.15 1q81 s ASN 195 CO 0.21 -1.48 1.71 0.00 -1.51 0.00 0.00 177.10 176.03 1q81 h ALA 196 N -0.19 -0.03 -0.00 0.60 0.00 -1.84 -2.17 119.26 115.64 1q81 h ALA 196 Ca -0.38 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1q81 h ALA 196 Cb 1.28 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1q81 h ALA 196 CO 0.46 -0.54 0.22 -0.24 0.00 0.00 0.00 179.25 179.14 1q81 h VAL 197 N -0.09 0.00 0.00 0.00 3.04 -1.94 -2.89 116.25 114.37 1q81 h VAL 197 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1q81 h VAL 197 Cb 0.15 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1q81 h VAL 197 CO -0.10 0.00 -1.21 0.47 -1.01 0.00 0.00 177.57 175.73 1q81 n ASP 198 N -2.96 0.79 -3.65 3.17 8.00 -0.82 -1.08 116.55 120.00 1q81 n ASP 198 Ca -0.02 -0.64 -0.02 0.00 0.71 0.00 0.00 54.79 54.82 1q81 n ASP 198 Cb 0.28 1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 42.60 1q81 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1q81 s HIS 199 N -2.96 -0.28 0.53 1.24 2.46 -1.09 -4.50 115.29 110.70 1q81 s HIS 199 Ca 0.02 0.59 0.47 0.00 0.47 0.00 0.00 55.06 56.61 1q81 s HIS 199 Cb 0.14 0.27 1.60 0.00 -0.13 0.00 0.00 32.58 34.46 1q81 s HIS 199 CO 0.78 -0.14 1.46 -0.35 -2.47 0.00 0.00 174.74 174.02 1q81 n PRO 200 N 2.83 0.00 0.00 2.88 -0.04 -1.26 0.17 135.00 139.58 1q81 n PRO 200 Ca -0.15 1.02 0.12 0.00 -0.04 0.00 0.00 63.50 64.45 1q81 n PRO 200 Cb 0.57 -2.36 0.27 0.00 -0.04 0.00 0.00 33.50 31.93 1q81 n PRO 200 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1q81 n PHE 201 N -3.77 0.00 -1.33 0.54 0.99 -1.26 -4.45 117.46 108.17 1q81 n PHE 201 Ca 0.41 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.57 1q81 n PHE 201 Cb 1.89 -0.14 0.20 0.00 -1.00 0.00 0.00 39.48 40.43 1q81 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1q81 s GLY 202 N -2.67 1.62 0.00 1.37 0.00 0.45 -4.31 107.32 103.78 1q81 s GLY 202 Ca 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1q81 s GLY 202 CO 0.60 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.23 1q81 n GLY 203 N -1.72 -1.00 0.00 0.20 0.00 -1.07 -4.23 105.19 97.38 1q81 n GLY 203 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1q81 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 204 N -0.90 1.40 0.23 -0.02 0.00 -1.26 -4.79 105.19 99.85 1q81 n GLY 204 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 1q81 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q81 h GLY 205 N 0.00 0.37 -0.94 -0.02 0.00 -1.99 -3.44 103.07 97.05 1q81 h GLY 205 Ca 0.00 -0.29 -0.62 0.00 0.00 0.00 0.00 47.33 46.42 1q81 h GLY 205 CO 0.00 0.27 -0.53 1.09 0.00 0.00 0.00 176.54 177.36 1q81 s ARG 206 N -4.46 2.04 -0.55 4.80 1.70 -1.26 -5.10 118.95 116.11 1q81 s ARG 206 Ca -0.06 -2.26 -0.19 0.00 -0.47 0.00 0.00 55.73 52.76 1q81 s ARG 206 Cb 0.14 -1.22 0.08 0.00 -0.57 0.00 0.00 34.95 33.39 1q81 s ARG 206 CO 0.77 -0.34 0.65 -0.65 -1.08 0.00 0.00 175.30 174.65 1q81 s GLN 207 N -3.81 3.07 -0.15 3.89 -0.21 -1.26 -4.97 119.66 116.23 1q81 s GLN 207 Ca 0.18 -1.14 -0.26 0.00 0.02 0.00 0.00 55.36 54.15 1q81 s GLN 207 Cb 0.04 -4.19 0.06 0.00 1.00 0.00 0.00 33.01 29.92 1q81 s GLN 207 CO 0.09 -1.37 0.65 -3.38 -2.12 0.00 0.00 175.29 169.16 1q81 s HIS 208 N 2.59 -0.66 0.65 0.91 -3.43 -1.26 -5.10 115.29 108.99 1q81 s HIS 208 Ca 0.12 1.39 -0.16 0.00 -0.80 0.00 0.00 55.06 55.61 1q81 s HIS 208 Cb -0.22 0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1q81 s HIS 208 CO 0.09 -0.47 1.16 -1.25 -2.00 0.00 0.00 174.74 172.27 1q81 s PRO 209 N -0.45 2.70 -0.04 -0.38 0.04 -1.26 -4.88 135.00 130.72 1q81 s PRO 209 Ca -0.06 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1q81 s PRO 209 Cb -0.03 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1q81 s PRO 209 CO 0.05 -1.37 0.71 0.78 0.04 0.00 0.00 177.00 177.20 1q81 h GLY 210 N 0.24 -0.46 -0.71 0.56 0.00 -1.79 -3.47 103.07 97.44 1q81 h GLY 210 Ca -0.48 0.17 -0.22 0.00 0.00 0.00 0.00 47.33 46.80 1q81 h GLY 210 CO 0.53 -0.17 -0.01 0.28 0.00 0.00 0.00 176.54 177.17 1q81 n LYS 211 N -5.07 0.69 -2.51 4.80 5.02 -1.26 -5.08 118.16 114.74 1q81 n LYS 211 Ca -0.07 -1.38 -0.37 0.00 -2.02 0.00 0.00 58.31 54.47 1q81 n LYS 211 Cb 0.23 -0.16 -0.04 0.00 -0.02 0.00 0.00 35.03 35.04 1q81 n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1q81 s PRO 212 N -3.31 4.15 0.49 1.97 0.04 -1.26 -4.96 135.00 132.12 1q81 s PRO 212 Ca 0.29 1.55 0.28 0.00 0.04 0.00 0.00 61.00 63.15 1q81 s PRO 212 Cb -0.02 -2.55 1.12 0.00 0.04 0.00 0.00 34.50 33.08 1q81 s PRO 212 CO 0.18 -0.16 1.90 0.87 0.04 0.00 0.00 177.00 179.83 1q81 h LYS 213 N 2.51 0.00 -6.24 4.56 1.57 -1.96 -3.43 116.57 113.58 1q81 h LYS 213 Ca -0.48 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.74 1q81 h LYS 213 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1q81 h LYS 213 CO 0.62 0.13 0.79 -1.12 -0.57 0.00 0.00 179.45 179.31 1q81 s SER 214 N -6.01 7.00 0.20 0.86 0.01 -1.26 -0.06 113.70 114.44 1q81 s SER 214 Ca 0.01 1.76 0.11 0.00 1.31 0.00 0.00 55.95 59.13 1q81 s SER 214 Cb 0.10 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1q81 s SER 214 CO 0.60 -0.66 -0.18 -0.51 0.41 0.00 0.00 173.24 172.89 1q81 s ILE 215 N 2.78 2.67 0.68 1.44 1.10 -0.37 -4.92 121.20 124.59 1q81 s ILE 215 Ca 0.55 -1.94 -0.14 0.00 -0.51 0.00 0.00 60.65 58.61 1q81 s ILE 215 Cb -0.23 -2.31 0.01 0.00 0.15 0.00 0.00 42.46 40.07 1q81 s ILE 215 CO 0.19 -0.15 1.11 -0.55 -2.11 0.00 0.00 174.94 173.43 1q81 s SER 216 N -2.83 5.00 0.41 4.50 0.15 -1.26 -1.41 113.70 118.26 1q81 s SER 216 Ca 0.23 1.98 0.16 0.00 0.70 0.00 0.00 55.95 59.02 1q81 s SER 216 Cb -0.08 -2.55 0.89 0.00 -1.71 0.00 0.00 66.02 62.58 1q81 s SER 216 CO 0.12 -1.70 1.89 0.03 1.20 0.00 0.00 173.24 174.78 1q81 h ARG 217 N -0.14 0.00 0.00 5.44 2.47 -1.96 -2.76 114.38 117.43 1q81 h ARG 217 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1q81 h ARG 217 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1q81 h ARG 217 CO 0.54 0.29 -0.20 -0.91 0.56 0.00 0.00 179.97 180.24 1q81 h ASN 218 N 0.00 0.00 -2.10 7.04 2.35 -2.05 -3.46 115.58 117.35 1q81 h ASN 218 Ca -0.00 -0.06 -0.63 0.00 -0.55 0.00 0.00 56.30 55.05 1q81 h ASN 218 Cb 0.55 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.99 1q81 h ASN 218 CO 0.04 0.03 0.45 0.00 -1.65 0.00 0.00 177.43 176.30 1q81 n ALA 219 N -1.83 -0.12 -1.78 -0.83 0.00 -1.04 -4.93 120.51 109.97 1q81 n ALA 219 Ca 0.05 0.46 -0.30 0.00 0.00 0.00 0.00 53.44 53.65 1q81 n ALA 219 Cb 0.44 -2.13 0.06 0.00 0.00 0.00 0.00 19.45 17.83 1q81 n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q81 s PRO 220 N -0.06 2.53 0.43 0.00 0.04 -1.26 -4.58 135.00 132.09 1q81 s PRO 220 Ca 0.75 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1q81 s PRO 220 Cb -0.80 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 1q81 s PRO 220 CO 0.49 -1.27 1.35 -1.25 0.04 0.00 0.00 177.00 176.35 1q81 s PRO 221 N -5.31 3.81 0.00 0.56 0.04 -1.26 -1.54 135.00 131.30 1q81 s PRO 221 Ca 0.59 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1q81 s PRO 221 Cb -0.12 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1q81 s PRO 221 CO 0.52 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1q81 n GLY 222 N 0.63 2.07 0.00 0.56 0.00 -1.26 -4.74 105.19 102.45 1q81 n GLY 222 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1q81 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q81 n ARG 223 N 0.00 0.32 -2.58 1.61 0.63 -0.62 -4.71 116.66 111.31 1q81 n ARG 223 Ca 0.00 -0.05 -0.41 0.00 -0.92 0.00 0.00 57.85 56.47 1q81 n ARG 223 Cb 0.00 -1.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.75 1q81 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1q81 s LYS 224 N -2.36 3.51 0.21 -0.14 2.20 -0.59 -4.89 119.74 117.68 1q81 s LYS 224 Ca -0.02 -0.97 0.05 0.00 -0.36 0.00 0.00 55.97 54.67 1q81 s LYS 224 Cb 0.03 -5.10 -0.02 0.00 -1.51 0.00 0.00 37.83 31.24 1q81 s LYS 224 CO 0.22 -2.18 0.17 1.33 -0.36 0.00 0.00 175.35 174.54 1q81 n VAL 225 N 6.72 0.00 -3.74 4.02 0.24 -1.26 -4.98 118.33 119.33 1q81 n VAL 225 Ca 0.26 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1q81 n VAL 225 Cb 0.50 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1q81 n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q81 n GLY 226 N -0.35 0.67 3.38 7.63 0.00 -1.26 -4.51 105.19 110.75 1q81 n GLY 226 Ca 0.04 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 1q81 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q81 s ASP 227 N -4.00 6.21 0.00 1.61 1.01 0.91 -4.97 116.67 117.44 1q81 s ASP 227 Ca 0.00 -1.45 -0.30 0.00 0.71 0.00 0.00 52.55 51.50 1q81 s ASP 227 Cb 0.00 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.55 1q81 s ASP 227 CO 0.00 -1.13 1.57 -0.63 0.21 0.00 0.00 175.17 175.19 1q81 s ILE 228 N 2.73 3.46 -1.07 0.77 1.01 -1.26 -1.23 121.20 125.60 1q81 s ILE 228 Ca 0.13 0.77 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 1q81 s ILE 228 Cb -0.23 -3.50 0.14 0.00 0.01 0.00 0.00 42.46 38.88 1q81 s ILE 228 CO 0.06 -0.03 0.34 0.00 0.00 0.00 0.00 174.94 175.31 1q81 n ALA 229 N 6.08 -0.87 -1.68 9.38 0.00 -0.50 -4.78 120.51 128.14 1q81 n ALA 229 Ca 0.15 -0.12 -0.45 0.00 0.00 0.00 0.00 53.44 53.03 1q81 n ALA 229 Cb 0.42 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1q81 n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q81 n SER 230 N -1.51 3.57 0.00 0.00 3.41 -1.24 -4.85 113.62 113.00 1q81 n SER 230 Ca 0.07 1.03 0.13 0.00 -0.26 0.00 0.00 58.87 59.84 1q81 n SER 230 Cb 0.35 -1.47 0.64 0.00 -0.26 0.00 0.00 64.21 63.47 1q81 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1q81 n LYS 231 N 4.87 0.20 0.00 4.33 5.02 -1.26 -4.89 118.16 126.43 1q81 n LYS 231 Ca 0.18 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1q81 n LYS 231 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1q81 n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1q81 n ARG 232 N -1.39 0.00 -3.27 1.97 1.85 -1.26 -5.19 116.66 109.37 1q81 n ARG 232 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.84 1q81 n ARG 232 Cb 0.27 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.64 1q81 n ARG 232 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1q81 n THR 233 N -0.50 0.00 -4.21 8.89 -2.24 -1.26 -5.11 114.28 109.85 1q81 n THR 233 Ca 0.00 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1q81 n THR 233 Cb 0.00 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1q81 n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q81 n GLY 234 N -0.38 -1.20 0.00 3.38 0.00 -1.26 -4.72 105.19 101.00 1q81 n GLY 234 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1q81 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 n ARG 235 N -0.10 3.22 -1.86 1.61 1.74 -1.26 -5.09 116.66 114.93 1q81 n ARG 235 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1q81 n ARG 235 Cb 0.00 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1q81 n ARG 235 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1q81 s GLY 236 N -0.98 2.94 0.00 -0.13 0.00 -1.26 -5.30 107.32 102.59 1q81 s GLY 236 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.20 1q81 s GLY 236 CO 0.00 2.13 0.00 0.61 0.00 0.00 0.00 173.10 175.84