#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pr9 n GLU 2 N 0.00 1.11 0.00 2.12 4.07 -1.26 -4.90 120.64 121.78 1pr9 n GLU 2 Ca 0.00 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1pr9 n GLU 2 Cb 0.00 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 1pr9 n GLU 2 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1pr9 n LEU 3 N -0.41 0.00 -3.01 4.31 4.77 -1.26 -4.81 117.00 116.59 1pr9 n LEU 3 Ca 0.12 -0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.63 1pr9 n LEU 3 Cb 0.45 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1pr9 n LEU 3 CO 0.52 0.00 0.15 0.49 -1.33 0.00 0.00 177.39 177.22 1pr9 n PHE 4 N -0.61 -2.10 0.60 -1.77 3.72 -1.26 -3.77 117.46 112.27 1pr9 n PHE 4 Ca 0.00 0.80 0.09 0.00 -0.05 0.00 0.00 57.45 58.29 1pr9 n PHE 4 Cb 0.00 -4.41 -0.12 0.00 -0.94 0.00 0.00 39.48 34.01 1pr9 n PHE 4 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pr9 n LEU 5 N -3.89 0.60 -4.71 4.37 4.77 -1.26 -4.84 117.00 112.04 1pr9 n LEU 5 Ca -0.11 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1pr9 n LEU 5 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1pr9 n LEU 5 CO 0.52 0.15 1.37 0.00 -1.33 0.00 0.00 177.39 178.10 1pr9 s ALA 6 N -2.94 3.85 0.00 -1.18 0.00 -1.26 -2.14 121.76 118.09 1pr9 s ALA 6 Ca 0.03 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1pr9 s ALA 6 Cb 0.14 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1pr9 s ALA 6 CO 0.78 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1pr9 n GLY 7 N 4.01 2.84 3.75 0.00 0.00 -0.25 -4.80 105.19 110.73 1pr9 n GLY 7 Ca 0.16 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1pr9 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pr9 s ARG 8 N 0.00 2.50 -0.30 1.61 1.81 -0.91 -4.38 118.95 119.29 1pr9 s ARG 8 Ca 0.00 1.56 -0.11 0.00 -1.72 0.00 0.00 55.73 55.46 1pr9 s ARG 8 Cb 0.00 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.57 1pr9 s ARG 8 CO 0.00 -1.52 0.19 0.50 -0.68 0.00 0.00 175.30 173.80 1pr9 s ARG 9 N -3.99 3.74 -0.10 3.54 3.52 -1.26 0.17 118.95 124.57 1pr9 s ARG 9 Ca 0.70 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1pr9 s ARG 9 Cb -0.24 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1pr9 s ARG 9 CO 0.43 -0.28 -0.14 0.08 -0.81 0.00 0.00 175.30 174.58 1pr9 s VAL 10 N 1.73 2.99 -0.20 7.11 1.01 0.12 -0.04 120.40 133.12 1pr9 s VAL 10 Ca 0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1pr9 s VAL 10 Cb -0.16 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1pr9 s VAL 10 CO 0.10 0.55 0.07 -0.22 0.00 0.00 0.00 175.10 175.60 1pr9 s LEU 11 N 0.03 3.77 -0.16 3.92 0.20 0.23 -0.83 118.68 125.84 1pr9 s LEU 11 Ca -0.05 0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.81 1pr9 s LEU 11 Cb -0.14 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.66 1pr9 s LEU 11 CO 0.04 0.13 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.35 1pr9 s VAL 12 N 0.65 2.28 0.33 1.68 1.01 -0.01 -0.68 120.40 125.67 1pr9 s VAL 12 Ca 0.04 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1pr9 s VAL 12 Cb -0.13 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1pr9 s VAL 12 CO 0.02 0.53 0.57 0.42 0.00 0.00 0.00 175.10 176.64 1pr9 s THR 13 N 1.02 5.05 -1.35 3.92 -4.23 -0.71 -1.03 115.64 118.31 1pr9 s THR 13 Ca -0.02 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1pr9 s THR 13 Cb -0.15 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.92 1pr9 s THR 13 CO -0.05 -0.47 0.87 0.61 -0.54 0.00 0.00 174.62 175.03 1pr9 n GLY 14 N -1.40 -0.38 0.15 3.99 0.00 0.01 -3.20 105.19 104.36 1pr9 n GLY 14 Ca -0.03 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1pr9 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr9 n ALA 15 N -4.42 3.02 0.04 4.61 0.00 -0.70 -3.99 120.51 119.07 1pr9 n ALA 15 Ca -0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 52.92 1pr9 n ALA 15 Cb 0.63 -1.21 0.30 0.00 0.00 0.00 0.00 19.45 19.17 1pr9 n ALA 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pr9 h GLY 16 N 4.96 0.46 -2.54 0.00 0.00 -1.89 -3.05 103.07 101.00 1pr9 h GLY 16 Ca 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 47.33 46.77 1pr9 h GLY 16 CO 0.00 0.27 -0.62 0.54 0.00 0.00 0.00 176.54 176.74 1pr9 s LYS 17 N -4.79 1.24 4.18 4.80 1.02 -1.26 -4.80 119.74 120.13 1pr9 s LYS 17 Ca -0.07 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.27 1pr9 s LYS 17 Cb 0.15 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1pr9 s LYS 17 CO 0.76 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1pr9 n GLY 18 N -0.31 2.76 0.33 -3.33 0.00 -1.26 -1.73 105.19 101.65 1pr9 n GLY 18 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 1pr9 n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pr9 h ILE 19 N 0.00 1.22 -0.73 -0.61 2.04 -1.95 -1.76 117.51 115.72 1pr9 h ILE 19 Ca 0.00 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1pr9 h ILE 19 Cb 0.00 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.03 1pr9 h ILE 19 CO 0.00 0.21 0.24 1.23 0.00 0.00 0.00 178.15 179.84 1pr9 h GLY 20 N 1.15 1.20 1.14 5.37 0.00 -1.66 -0.50 103.07 109.77 1pr9 h GLY 20 Ca 0.31 -0.69 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1pr9 h GLY 20 CO -0.07 0.65 0.02 -0.09 0.00 0.00 0.00 176.54 177.05 1pr9 h ARG 21 N 1.08 1.03 0.00 4.80 2.43 -0.80 -2.04 114.38 120.88 1pr9 h ARG 21 Ca 0.24 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1pr9 h ARG 21 Cb 0.28 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1pr9 h ARG 21 CO -0.01 1.00 -0.23 0.78 -1.51 0.00 0.00 179.97 179.99 1pr9 h GLY 22 N 1.00 0.00 0.61 2.80 0.00 -1.08 -1.74 103.07 104.66 1pr9 h GLY 22 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1pr9 h GLY 22 CO 0.03 0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 175.63 1pr9 h THR 23 N 0.00 1.39 -0.39 4.70 2.02 -0.81 -1.29 112.91 118.53 1pr9 h THR 23 Ca -0.00 -1.31 0.07 0.00 0.77 0.00 0.00 66.41 65.93 1pr9 h THR 23 Cb 0.82 2.11 -0.06 0.00 -1.74 0.00 0.00 68.15 69.28 1pr9 h THR 23 CO 0.03 0.36 0.04 0.58 0.37 0.00 0.00 175.52 176.90 1pr9 h VAL 24 N -0.28 0.75 -0.04 3.16 2.07 -1.20 0.08 116.25 120.79 1pr9 h VAL 24 Ca 0.01 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1pr9 h VAL 24 Cb 0.63 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1pr9 h VAL 24 CO 0.02 0.03 -0.00 1.56 0.02 0.00 0.00 177.57 179.20 1pr9 h GLN 25 N 0.15 0.01 -0.98 1.57 4.20 -1.30 0.12 115.11 118.88 1pr9 h GLN 25 Ca 0.19 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1pr9 h GLN 25 Cb 0.25 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 1pr9 h GLN 25 CO -0.29 0.01 0.64 0.00 -0.67 0.00 0.00 178.83 178.52 1pr9 h ALA 26 N 1.03 1.33 -0.23 3.87 0.00 -0.89 -2.43 119.26 121.94 1pr9 h ALA 26 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1pr9 h ALA 26 Cb 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1pr9 h ALA 26 CO -0.03 0.47 -0.33 -0.07 0.00 0.00 0.00 179.25 179.29 1pr9 h LEU 27 N 1.19 0.69 0.00 0.00 3.38 -0.36 -2.91 115.31 117.31 1pr9 h LEU 27 Ca 0.41 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1pr9 h LEU 27 Cb 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1pr9 h LEU 27 CO -0.15 1.07 -0.19 -0.74 0.09 0.00 0.00 178.44 178.51 1pr9 h HIS 28 N 0.33 -0.51 -0.08 1.13 2.76 -0.51 -1.80 115.15 116.47 1pr9 h HIS 28 Ca 0.02 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1pr9 h HIS 28 Cb 0.91 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 1pr9 h HIS 28 CO 0.08 -0.28 0.18 0.00 -1.30 0.00 0.00 177.93 176.61 1pr9 h ALA 29 N 0.58 1.45 0.00 5.26 0.00 -1.44 -0.73 119.26 124.38 1pr9 h ALA 29 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pr9 h ALA 29 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pr9 h ALA 29 CO -0.18 -0.22 -1.02 0.25 0.00 0.00 0.00 179.25 178.09 1pr9 n THR 30 N -3.36 0.22 0.00 0.00 -2.24 -0.70 -4.97 114.28 103.23 1pr9 n THR 30 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1pr9 n THR 30 Cb 0.26 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1pr9 n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pr9 n GLY 31 N 1.35 1.11 3.80 3.38 0.00 -0.28 -4.41 105.19 110.14 1pr9 n GLY 31 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1pr9 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr9 s ALA 32 N -2.00 2.54 -0.18 4.61 0.00 -1.10 -1.09 121.76 124.55 1pr9 s ALA 32 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1pr9 s ALA 32 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1pr9 s ALA 32 CO 0.00 -1.34 0.16 1.03 0.00 0.00 0.00 175.76 175.61 1pr9 s ARG 33 N -4.82 4.08 -0.05 0.00 0.52 0.46 -4.52 118.95 114.62 1pr9 s ARG 33 Ca 0.60 -0.15 0.06 0.00 -0.52 0.00 0.00 55.73 55.72 1pr9 s ARG 33 Cb -0.16 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 1pr9 s ARG 33 CO 0.52 0.37 -0.22 0.08 0.02 0.00 0.00 175.30 176.08 1pr9 s VAL 34 N 0.13 2.37 -0.27 3.52 1.01 -1.26 0.12 120.40 126.02 1pr9 s VAL 34 Ca 0.11 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1pr9 s VAL 34 Cb -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1pr9 s VAL 34 CO 0.00 0.57 0.06 -0.69 0.00 0.00 0.00 175.10 175.05 1pr9 s VAL 35 N -0.39 4.03 -0.30 2.92 1.01 -0.01 -0.77 120.40 126.88 1pr9 s VAL 35 Ca 0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1pr9 s VAL 35 Cb -0.12 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1pr9 s VAL 35 CO 0.02 0.21 0.11 0.00 0.00 0.00 0.00 175.10 175.44 1pr9 s ALA 36 N 1.54 3.16 -0.15 5.51 0.00 -0.19 -0.83 121.76 130.78 1pr9 s ALA 36 Ca 0.04 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 1pr9 s ALA 36 Cb -0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1pr9 s ALA 36 CO 0.02 -0.92 -0.04 0.08 0.00 0.00 0.00 175.76 174.90 1pr9 s VAL 37 N 1.55 3.84 0.25 0.00 1.01 -0.19 -0.35 120.40 126.50 1pr9 s VAL 37 Ca 0.03 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1pr9 s VAL 37 Cb -0.17 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1pr9 s VAL 37 CO 0.04 0.49 0.68 -0.55 0.00 0.00 0.00 175.10 175.77 1pr9 s SER 38 N 0.37 -0.34 0.02 3.32 0.15 -0.72 -0.81 113.70 115.68 1pr9 s SER 38 Ca -0.04 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.20 1pr9 s SER 38 Cb -0.14 0.69 -0.24 0.00 -1.71 0.00 0.00 66.02 64.61 1pr9 s SER 38 CO 0.03 -1.24 0.90 -0.09 1.20 0.00 0.00 173.24 174.05 1pr9 h ARG 39 N 2.01 0.11 -4.82 5.44 2.43 -1.88 -1.94 114.38 115.73 1pr9 h ARG 39 Ca -0.23 -0.19 -0.67 0.00 -0.81 0.00 0.00 59.98 58.08 1pr9 h ARG 39 Cb 1.27 0.07 -0.26 0.00 -0.42 0.00 0.00 29.97 30.63 1pr9 h ARG 39 CO 0.28 0.91 -0.63 0.99 -1.51 0.00 0.00 179.97 180.00 1pr9 s THR 40 N -2.64 3.95 0.35 0.20 2.01 -1.26 -4.57 115.64 113.69 1pr9 s THR 40 Ca -0.05 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1pr9 s THR 40 Cb 0.08 -3.02 0.22 0.00 0.01 0.00 0.00 72.50 69.79 1pr9 s THR 40 CO 0.83 0.11 1.96 -0.61 -0.69 0.00 0.00 174.62 176.22 1pr9 h GLN 41 N 8.23 0.65 0.00 4.92 5.75 -1.99 -1.38 115.11 131.29 1pr9 h GLN 41 Ca -0.32 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.06 1pr9 h GLN 41 Cb 1.13 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1pr9 h GLN 41 CO 0.60 0.52 -0.16 0.00 -2.65 0.00 0.00 178.83 177.14 1pr9 h ALA 42 N 1.58 1.66 -0.45 3.38 0.00 -1.99 0.19 119.26 123.63 1pr9 h ALA 42 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1pr9 h ALA 42 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1pr9 h ALA 42 CO -0.02 0.20 -0.07 -0.44 0.00 0.00 0.00 179.25 178.93 1pr9 h ASP 43 N 0.00 0.84 -0.23 0.00 3.45 -1.59 -2.42 116.42 116.47 1pr9 h ASP 43 Ca -0.00 -0.34 -0.08 0.00 0.43 0.00 0.00 57.03 57.03 1pr9 h ASP 43 Cb 0.30 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 1pr9 h ASP 43 CO 0.02 0.98 -0.13 -0.07 -1.57 0.00 0.00 179.24 178.47 1pr9 h LEU 44 N 0.68 0.62 -0.55 1.55 3.38 -1.26 -2.17 115.31 117.55 1pr9 h LEU 44 Ca 0.12 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1pr9 h LEU 44 Cb 0.59 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1pr9 h LEU 44 CO 0.04 0.77 0.17 0.44 0.09 0.00 0.00 178.44 179.95 1pr9 h ASP 45 N 0.57 0.81 0.20 -0.43 3.32 -0.41 -0.36 116.42 120.11 1pr9 h ASP 45 Ca 0.10 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 1pr9 h ASP 45 Cb 0.56 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1pr9 h ASP 45 CO 0.04 0.80 -0.45 0.77 -1.72 0.00 0.00 179.24 178.68 1pr9 h SER 46 N 0.77 0.33 -0.23 6.45 4.64 -1.29 -2.64 113.55 121.59 1pr9 h SER 46 Ca 0.18 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1pr9 h SER 46 Cb 0.29 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1pr9 h SER 46 CO -0.00 0.74 -0.19 0.25 -0.87 0.00 0.00 176.83 176.75 1pr9 h LEU 47 N 0.25 0.67 -0.75 5.97 5.85 -0.93 0.35 115.31 126.72 1pr9 h LEU 47 Ca 0.02 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1pr9 h LEU 47 Cb 0.89 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1pr9 h LEU 47 CO 0.07 0.86 -0.01 -0.37 -0.34 0.00 0.00 178.44 178.65 1pr9 h VAL 48 N 0.59 0.02 -0.09 1.05 -1.51 -0.86 0.33 116.25 115.79 1pr9 h VAL 48 Ca 0.09 -0.78 -0.14 0.00 -1.23 0.00 0.00 66.70 64.64 1pr9 h VAL 48 Cb 0.65 1.76 0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1pr9 h VAL 48 CO 0.05 0.01 -0.50 0.03 -1.23 0.00 0.00 177.57 175.93 1pr9 h ARG 49 N 0.00 0.49 -0.06 5.19 3.08 -0.93 -3.27 114.38 118.89 1pr9 h ARG 49 Ca -0.00 -0.41 -0.21 0.00 0.07 0.00 0.00 59.98 59.43 1pr9 h ARG 49 Cb 0.76 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1pr9 h ARG 49 CO 0.00 1.05 -0.83 0.93 -1.07 0.00 0.00 179.97 180.05 1pr9 h GLU 50 N 0.07 0.46 -2.72 0.04 5.08 -0.62 -3.38 114.58 113.51 1pr9 h GLU 50 Ca -0.04 -0.43 -0.61 0.00 -1.00 0.00 0.00 59.36 57.28 1pr9 h GLU 50 Cb 1.16 0.10 -0.42 0.00 0.50 0.00 0.00 28.75 30.09 1pr9 h GLU 50 CO 0.10 1.07 -0.58 0.00 -1.00 0.00 0.00 179.01 178.60 1pr9 s PRO 52 N -1.87 4.13 0.00 0.00 0.04 -1.23 -2.58 135.00 133.49 1pr9 s PRO 52 Ca 0.31 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1pr9 s PRO 52 Cb 0.04 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1pr9 s PRO 52 CO -0.11 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1pr9 n GLY 53 N 1.71 0.53 3.74 0.56 0.00 -1.26 -5.09 105.19 105.37 1pr9 n GLY 53 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1pr9 n GLY 53 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pr9 s ILE 54 N -2.20 3.00 -0.33 -0.61 -4.36 -1.07 -4.75 121.20 110.90 1pr9 s ILE 54 Ca 0.00 0.33 -0.09 0.00 -0.26 0.00 0.00 60.65 60.63 1pr9 s ILE 54 Cb 0.00 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1pr9 s ILE 54 CO 0.00 -0.43 0.14 -1.61 0.24 0.00 0.00 174.94 173.28 1pr9 s GLU 55 N -4.90 3.02 0.32 0.37 2.02 0.05 -4.99 118.70 114.58 1pr9 s GLU 55 Ca 0.62 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 54.43 1pr9 s GLU 55 Cb -0.18 -3.53 -0.10 0.00 0.10 0.00 0.00 34.13 30.42 1pr9 s GLU 55 CO 0.57 -0.53 0.93 -1.25 0.02 0.00 0.00 175.26 174.99 1pr9 s PRO 56 N 1.53 4.56 -0.07 0.39 0.04 -1.26 -1.03 135.00 139.16 1pr9 s PRO 56 Ca 0.02 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1pr9 s PRO 56 Cb -0.18 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.60 1pr9 s PRO 56 CO 0.05 0.28 0.03 0.08 0.04 0.00 0.00 177.00 177.48 1pr9 s VAL 57 N -1.62 0.16 -0.29 -0.36 1.01 0.53 -4.91 120.40 114.93 1pr9 s VAL 57 Ca 0.50 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1pr9 s VAL 57 Cb -0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1pr9 s VAL 57 CO 0.23 0.19 0.11 0.00 0.00 0.00 0.00 175.10 175.64 1pr9 s VAL 59 N 1.60 0.00 -0.44 0.00 0.11 -0.73 -4.99 120.40 115.95 1pr9 s VAL 59 Ca 0.05 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 1pr9 s VAL 59 Cb -0.16 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1pr9 s VAL 59 CO 0.05 0.00 0.60 -0.62 -3.33 0.00 0.00 175.10 171.80 1pr9 s ASP 60 N -1.52 6.29 0.00 3.54 -1.08 -1.26 -3.80 116.67 118.84 1pr9 s ASP 60 Ca -0.07 -0.45 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 1pr9 s ASP 60 Cb -0.00 -2.30 0.65 0.00 -1.46 0.00 0.00 42.92 39.81 1pr9 s ASP 60 CO 0.04 -0.75 1.45 0.18 0.52 0.00 0.00 175.17 176.61 1pr9 n LEU 61 N 6.12 0.00 0.00 -1.34 4.77 -1.26 -1.58 117.00 123.71 1pr9 n LEU 61 Ca -0.03 0.45 0.10 0.00 -0.03 0.00 0.00 56.01 56.50 1pr9 n LEU 61 Cb 0.48 -0.45 0.49 0.00 -2.33 0.00 0.00 43.42 41.60 1pr9 n LEU 61 CO 0.52 -0.23 0.83 0.61 -1.33 0.00 0.00 177.39 177.80 1pr9 n GLY 62 N -0.01 -1.10 3.15 -0.72 0.00 -1.26 -4.53 105.19 100.72 1pr9 n GLY 62 Ca 0.04 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1pr9 n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pr9 s ASP 63 N -2.79 5.05 0.16 1.61 -1.08 -0.61 -4.83 116.67 114.18 1pr9 s ASP 63 Ca 0.15 -1.60 -0.15 0.00 -0.52 0.00 0.00 52.55 50.43 1pr9 s ASP 63 Cb 0.14 -1.76 0.09 0.00 -1.46 0.00 0.00 42.92 39.93 1pr9 s ASP 63 CO 0.35 -0.38 1.76 -0.25 0.52 0.00 0.00 175.17 177.17 1pr9 h TRP 64 N 8.01 0.30 -0.40 -5.34 2.91 -1.86 0.07 115.95 119.63 1pr9 h TRP 64 Ca -0.17 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.77 1pr9 h TRP 64 Cb 1.05 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 1pr9 h TRP 64 CO 0.58 0.13 -0.14 0.93 -1.03 0.00 0.00 178.44 178.91 1pr9 h GLU 65 N 0.34 0.81 -0.07 2.65 3.07 -1.96 -2.01 114.58 117.41 1pr9 h GLU 65 Ca 0.18 -0.33 -0.15 0.00 -0.50 0.00 0.00 59.36 58.56 1pr9 h GLU 65 Cb 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1pr9 h GLU 65 CO -0.17 0.96 -0.63 0.00 -1.40 0.00 0.00 179.01 177.77 1pr9 h ALA 66 N 0.83 0.81 -0.37 3.43 0.00 -1.84 -2.57 119.26 119.54 1pr9 h ALA 66 Ca 0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1pr9 h ALA 66 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pr9 h ALA 66 CO 0.05 0.75 0.05 1.15 0.00 0.00 0.00 179.25 181.24 1pr9 h THR 67 N 0.18 1.24 -0.89 0.00 2.02 -0.83 -1.20 112.91 113.44 1pr9 h THR 67 Ca -0.01 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1pr9 h THR 67 Cb 1.15 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1pr9 h THR 67 CO 0.10 0.30 0.50 -0.08 0.37 0.00 0.00 175.52 176.70 1pr9 h GLU 68 N 0.46 1.24 -0.14 6.66 4.81 -1.29 0.16 114.58 126.48 1pr9 h GLU 68 Ca 0.11 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1pr9 h GLU 68 Cb 0.38 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1pr9 h GLU 68 CO 0.01 0.90 -0.50 0.00 -0.73 0.00 0.00 179.01 178.69 1pr9 h ARG 69 N 1.25 0.38 0.02 1.92 3.08 -1.32 -1.66 114.38 118.04 1pr9 h ARG 69 Ca 0.32 -0.22 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 1pr9 h ARG 69 Cb 0.02 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1pr9 h ARG 69 CO -0.05 0.79 -1.00 0.00 -1.07 0.00 0.00 179.97 178.65 1pr9 h ALA 70 N 1.17 0.37 0.00 0.04 0.00 -0.64 -3.39 119.26 116.81 1pr9 h ALA 70 Ca 0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 1pr9 h ALA 70 Cb 0.99 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1pr9 h ALA 70 CO 0.09 1.17 -1.92 1.28 0.00 0.00 0.00 179.25 179.86 1pr9 n LEU 71 N -3.42 0.00 -0.21 0.00 4.77 0.51 -4.39 117.00 114.26 1pr9 n LEU 71 Ca -0.01 0.00 0.27 0.00 -0.03 0.00 0.00 56.01 56.24 1pr9 n LEU 71 Cb 0.92 0.13 0.68 0.00 -2.33 0.00 0.00 43.42 42.82 1pr9 n LEU 71 CO 0.48 0.13 1.26 1.23 -1.33 0.00 0.00 177.39 179.15 1pr9 h GLY 72 N 3.27 0.23 -3.73 -0.72 0.00 -1.47 0.05 103.07 100.69 1pr9 h GLY 72 Ca -0.14 -0.04 -0.30 0.00 0.00 0.00 0.00 47.33 46.85 1pr9 h GLY 72 CO 0.01 -0.01 0.37 -1.14 0.00 0.00 0.00 176.54 175.76 1pr9 n SER 73 N -4.33 4.51 0.08 0.19 3.41 -1.26 -4.52 113.62 111.71 1pr9 n SER 73 Ca 0.19 -3.34 -0.12 0.00 -0.26 0.00 0.00 58.87 55.35 1pr9 n SER 73 Cb 0.93 -0.77 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 1pr9 n SER 73 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1pr9 h VAL 74 N 2.20 1.55 0.00 -3.33 3.04 -1.23 -3.50 116.25 114.98 1pr9 h VAL 74 Ca 0.36 -3.19 0.00 0.00 -1.01 0.00 0.00 66.70 62.86 1pr9 h VAL 74 Cb 2.47 2.87 0.00 0.00 -2.01 0.00 0.00 31.29 34.62 1pr9 h VAL 74 CO 0.83 0.91 0.00 0.61 -1.01 0.00 0.00 177.57 178.91 1pr9 n GLY 75 N 1.46 -0.05 3.67 3.17 0.00 -1.26 -4.90 105.19 107.28 1pr9 n GLY 75 Ca -0.06 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1pr9 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pr9 s PRO 76 N 0.00 4.23 -0.08 1.61 0.04 -1.26 -4.99 135.00 134.55 1pr9 s PRO 76 Ca 0.00 1.90 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1pr9 s PRO 76 Cb 0.00 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.78 1pr9 s PRO 76 CO 0.00 -0.70 -0.13 0.08 0.04 0.00 0.00 177.00 176.28 1pr9 s VAL 77 N 3.33 1.27 -0.10 -0.36 1.01 -1.26 -4.84 120.40 119.45 1pr9 s VAL 77 Ca 0.63 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1pr9 s VAL 77 Cb -0.28 -1.16 -0.25 0.00 0.00 0.00 0.00 36.38 34.69 1pr9 s VAL 77 CO 0.23 0.39 0.46 0.47 0.00 0.00 0.00 175.10 176.64 1pr9 n ASP 78 N 4.00 1.54 -4.07 3.32 9.92 0.94 -4.72 116.55 127.49 1pr9 n ASP 78 Ca -0.21 0.28 -0.16 0.00 -0.53 0.00 0.00 54.79 54.17 1pr9 n ASP 78 Cb 0.51 -0.46 -0.13 0.00 -0.64 0.00 0.00 41.12 40.40 1pr9 n ASP 78 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1pr9 s LEU 79 N -6.59 2.17 -0.03 0.64 1.43 -0.98 -3.53 118.68 111.80 1pr9 s LEU 79 Ca -0.15 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1pr9 s LEU 79 Cb 0.07 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1pr9 s LEU 79 CO 0.79 -0.06 0.00 -0.22 0.23 0.00 0.00 176.35 177.09 1pr9 s LEU 80 N -1.09 1.19 -0.29 1.79 2.96 -0.74 -0.60 118.68 121.90 1pr9 s LEU 80 Ca -0.03 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1pr9 s LEU 80 Cb -0.07 -0.21 0.06 0.00 0.50 0.00 0.00 46.19 46.46 1pr9 s LEU 80 CO 0.01 -0.10 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.22 1pr9 s VAL 81 N 0.99 2.75 -0.74 1.68 1.01 0.15 -0.37 120.40 125.86 1pr9 s VAL 81 Ca -0.10 -1.49 -0.20 0.00 0.00 0.00 0.00 61.98 60.18 1pr9 s VAL 81 Cb -0.13 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.74 1pr9 s VAL 81 CO -0.02 -0.11 0.96 0.20 0.00 0.00 0.00 175.10 176.13 1pr9 s ASN 82 N 1.22 6.34 -0.08 3.32 0.01 0.82 -1.73 114.94 124.84 1pr9 s ASN 82 Ca -0.06 -1.48 0.07 0.00 -0.71 0.00 0.00 52.86 50.69 1pr9 s ASN 82 Cb -0.20 -2.38 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 1pr9 s ASN 82 CO -0.02 -1.23 0.04 -3.20 -1.51 0.00 0.00 177.10 171.18 1pr9 n ASN 83 N 6.94 3.00 -4.72 -1.22 5.15 -1.24 -0.94 115.26 122.23 1pr9 n ASN 83 Ca 0.05 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.60 1pr9 n ASN 83 Cb 0.46 0.74 -0.02 0.00 -0.53 0.00 0.00 39.78 40.43 1pr9 n ASN 83 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pr9 n ALA 84 N -2.27 1.97 -3.38 5.20 0.00 -1.19 -4.84 120.51 116.00 1pr9 n ALA 84 Ca -0.13 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1pr9 n ALA 84 Cb 0.73 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1pr9 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pr9 s ALA 85 N -0.27 -1.11 0.17 0.00 0.00 -1.26 -4.63 121.76 114.65 1pr9 s ALA 85 Ca 0.63 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.62 1pr9 s ALA 85 Cb -0.55 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1pr9 s ALA 85 CO 0.52 -0.82 -0.23 0.14 0.00 0.00 0.00 175.76 175.37 1pr9 s VAL 86 N -3.85 2.17 -0.33 0.00 -7.23 -1.26 -5.02 120.40 104.88 1pr9 s VAL 86 Ca 0.07 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1pr9 s VAL 86 Cb -0.01 -1.99 0.10 0.00 0.56 0.00 0.00 36.38 35.03 1pr9 s VAL 86 CO -0.04 -0.10 0.04 0.00 -0.31 0.00 0.00 175.10 174.68 1pr9 s ALA 87 N -1.56 2.80 -0.45 1.32 0.00 -1.26 -4.94 121.76 117.68 1pr9 s ALA 87 Ca 0.17 -2.44 -0.10 0.00 0.00 0.00 0.00 51.96 49.59 1pr9 s ALA 87 Cb -0.08 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.21 1pr9 s ALA 87 CO 0.08 -1.65 0.32 -0.51 0.00 0.00 0.00 175.76 173.99 1pr9 s LEU 88 N 0.95 5.46 -0.11 0.00 1.43 -1.26 -5.07 118.68 120.08 1pr9 s LEU 88 Ca 0.10 -1.67 -0.13 0.00 -1.03 0.00 0.00 54.13 51.40 1pr9 s LEU 88 Cb -0.19 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1pr9 s LEU 88 CO -0.09 -0.63 0.30 -0.76 0.23 0.00 0.00 176.35 175.41 1pr9 s LEU 89 N 1.43 4.32 -0.25 1.79 1.43 -1.26 -4.59 118.68 121.55 1pr9 s LEU 89 Ca 0.04 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 53.58 1pr9 s LEU 89 Cb -0.25 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.65 1pr9 s LEU 89 CO 0.01 0.20 0.63 -1.10 0.23 0.00 0.00 176.35 176.32 1pr9 s GLN 90 N -0.13 0.69 0.55 1.70 -0.21 -0.78 -5.04 119.66 116.43 1pr9 s GLN 90 Ca 0.18 1.01 -0.20 0.00 0.02 0.00 0.00 55.36 56.37 1pr9 s GLN 90 Cb -0.14 0.23 -0.07 0.00 1.00 0.00 0.00 33.01 34.03 1pr9 s GLN 90 CO 0.06 -0.12 0.91 -2.30 -2.12 0.00 0.00 175.29 171.72 1pr9 n PRO 91 N 3.55 0.97 -0.31 2.91 -0.02 -1.26 -4.42 135.00 136.42 1pr9 n PRO 91 Ca -0.17 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 61.74 1pr9 n PRO 91 Cb 0.57 -2.07 0.23 0.00 -0.02 0.00 0.00 33.50 32.21 1pr9 n PRO 91 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1pr9 h PHE 92 N 0.75 0.89 0.00 6.00 3.57 -1.99 0.20 116.94 126.35 1pr9 h PHE 92 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1pr9 h PHE 92 Cb 1.36 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1pr9 h PHE 92 CO 0.38 0.27 0.00 1.28 -2.23 0.00 0.00 178.31 178.01 1pr9 n LEU 93 N -4.79 0.00 -0.53 0.59 4.77 -1.26 -2.66 117.00 113.13 1pr9 n LEU 93 Ca 0.17 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.60 1pr9 n LEU 93 Cb 0.41 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1pr9 n LEU 93 CO 0.23 -0.12 0.54 -0.62 -1.33 0.00 0.00 177.39 176.10 1pr9 n GLU 94 N -1.40 1.98 -2.03 3.23 1.02 0.65 -5.02 120.64 119.08 1pr9 n GLU 94 Ca 0.07 -1.68 -0.41 0.00 -0.02 0.00 0.00 57.16 55.12 1pr9 n GLU 94 Cb 0.21 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1pr9 n GLU 94 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pr9 s VAL 95 N -0.95 2.69 0.29 2.62 1.01 -0.99 -4.87 120.40 120.21 1pr9 s VAL 95 Ca 0.18 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.83 1pr9 s VAL 95 Cb 0.10 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1pr9 s VAL 95 CO 0.14 0.10 0.15 0.42 0.00 0.00 0.00 175.10 175.90 1pr9 s THR 96 N -0.11 3.63 0.19 3.92 -4.23 -1.26 -5.02 115.64 112.76 1pr9 s THR 96 Ca 0.58 -1.61 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 1pr9 s THR 96 Cb -0.41 -3.10 0.12 0.00 1.34 0.00 0.00 72.50 70.45 1pr9 s THR 96 CO 0.44 -0.28 1.71 0.50 -0.54 0.00 0.00 174.62 176.45 1pr9 h LYS 97 N 1.57 0.23 -0.71 3.99 3.64 -2.00 -1.90 116.57 121.39 1pr9 h LYS 97 Ca -0.45 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1pr9 h LYS 97 Cb 1.25 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1pr9 h LYS 97 CO 0.61 0.15 0.20 0.93 -2.27 0.00 0.00 179.45 179.06 1pr9 h GLU 98 N 0.23 1.12 -0.43 1.90 3.07 -1.99 -0.32 114.58 118.17 1pr9 h GLU 98 Ca 0.26 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1pr9 h GLU 98 Cb 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1pr9 h GLU 98 CO -0.35 0.98 -0.09 0.00 -1.40 0.00 0.00 179.01 178.15 1pr9 h ALA 99 N 1.10 0.59 0.36 3.43 0.00 -1.92 -0.88 119.26 121.93 1pr9 h ALA 99 Ca 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pr9 h ALA 99 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1pr9 h ALA 99 CO -0.00 0.47 -0.45 0.35 0.00 0.00 0.00 179.25 179.62 1pr9 h PHE 100 N 0.65 -1.25 -0.18 0.00 3.57 -1.00 -1.52 116.94 117.22 1pr9 h PHE 100 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1pr9 h PHE 100 Cb 0.62 0.50 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1pr9 h PHE 100 CO 0.05 -0.59 0.01 -0.44 -2.23 0.00 0.00 178.31 175.10 1pr9 h ASP 101 N -0.85 -0.05 -0.69 0.41 3.32 -0.97 -0.05 116.42 117.55 1pr9 h ASP 101 Ca -0.03 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1pr9 h ASP 101 Cb 0.77 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1pr9 h ASP 101 CO -0.12 -0.00 0.37 -0.09 -1.72 0.00 0.00 179.24 177.68 1pr9 h ARG 102 N 0.07 0.96 -0.26 3.56 9.65 -1.12 -0.19 114.38 127.05 1pr9 h ARG 102 Ca 0.08 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1pr9 h ARG 102 Cb 0.10 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1pr9 h ARG 102 CO -0.13 0.73 0.13 0.77 2.80 0.00 0.00 179.97 184.27 1pr9 h SER 103 N 0.95 0.35 0.55 -3.80 0.02 -0.89 -2.05 113.55 108.68 1pr9 h SER 103 Ca 0.24 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1pr9 h SER 103 Cb 0.05 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1pr9 h SER 103 CO -0.04 0.37 -0.46 -0.26 -1.14 0.00 0.00 176.83 175.30 1pr9 h PHE 104 N 0.30 0.00 -0.18 3.45 -1.00 -0.69 -0.03 116.94 118.79 1pr9 h PHE 104 Ca 0.09 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.73 1pr9 h PHE 104 Cb 0.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1pr9 h PHE 104 CO -0.02 0.46 -0.48 0.93 -1.61 0.00 0.00 178.31 177.59 1pr9 h GLU 105 N 0.00 0.46 0.01 1.51 5.08 -0.78 -1.08 114.58 119.78 1pr9 h GLU 105 Ca -0.00 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1pr9 h GLU 105 Cb 0.86 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1pr9 h GLU 105 CO 0.06 0.84 -0.90 0.28 -1.00 0.00 0.00 179.01 178.30 1pr9 h VAL 106 N 0.37 1.18 0.00 3.13 2.07 -1.29 -2.01 116.25 119.70 1pr9 h VAL 106 Ca 0.02 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1pr9 h VAL 106 Cb 0.98 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1pr9 h VAL 106 CO 0.09 0.42 0.00 0.78 0.02 0.00 0.00 177.57 178.88 1pr9 h ASN 107 N -0.96 0.00 0.00 0.57 4.21 -1.11 -3.36 115.58 114.93 1pr9 h ASN 107 Ca -0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.27 1pr9 h ASN 107 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1pr9 h ASN 107 CO -0.13 0.00 -0.23 -0.11 -1.29 0.00 0.00 177.43 175.66 1pr9 n LEU 108 N -2.79 0.06 -0.25 1.61 7.94 -0.99 -4.67 117.00 117.92 1pr9 n LEU 108 Ca 0.03 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.86 1pr9 n LEU 108 Cb 0.38 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.37 1pr9 n LEU 108 CO 0.28 -0.34 0.96 -0.09 -1.11 0.00 0.00 177.39 177.10 1pr9 h ARG 109 N 0.00 1.11 -0.33 1.96 2.43 -1.27 -1.26 114.38 117.02 1pr9 h ARG 109 Ca 0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1pr9 h ARG 109 Cb 0.23 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1pr9 h ARG 109 CO 0.00 0.96 0.17 0.00 -1.51 0.00 0.00 179.97 179.59 1pr9 h ALA 110 N 1.10 1.69 -0.58 2.80 0.00 -1.51 -0.84 119.26 121.93 1pr9 h ALA 110 Ca 0.23 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1pr9 h ALA 110 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1pr9 h ALA 110 CO -0.00 0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.76 1pr9 h VAL 111 N 0.45 1.27 0.07 0.00 2.07 -1.46 -0.95 116.25 117.69 1pr9 h VAL 111 Ca 0.12 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1pr9 h VAL 111 Cb 0.02 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1pr9 h VAL 111 CO -0.02 0.42 -0.03 0.40 0.02 0.00 0.00 177.57 178.36 1pr9 h ILE 112 N 0.92 1.03 0.05 4.57 2.04 -0.74 -2.34 117.51 123.05 1pr9 h ILE 112 Ca 0.16 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1pr9 h ILE 112 Cb 0.58 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1pr9 h ILE 112 CO 0.03 0.09 -0.11 -0.61 0.00 0.00 0.00 178.15 177.55 1pr9 h GLN 113 N -0.25 -0.21 -0.54 2.37 4.15 -0.90 -0.32 115.11 119.41 1pr9 h GLN 113 Ca -0.01 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1pr9 h GLN 113 Cb 0.22 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1pr9 h GLN 113 CO 0.02 -0.14 0.03 0.28 -1.93 0.00 0.00 178.83 177.08 1pr9 h VAL 114 N -0.22 1.25 -0.71 2.39 2.07 -1.24 -2.36 116.25 117.44 1pr9 h VAL 114 Ca 0.02 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1pr9 h VAL 114 Cb 0.24 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1pr9 h VAL 114 CO -0.08 0.37 0.17 0.28 0.02 0.00 0.00 177.57 178.33 1pr9 h SER 115 N 0.83 1.09 -0.72 0.57 0.02 -1.07 -1.48 113.55 112.79 1pr9 h SER 115 Ca 0.16 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1pr9 h SER 115 Cb 0.46 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1pr9 h SER 115 CO 0.02 1.04 0.47 1.56 -1.14 0.00 0.00 176.83 178.78 1pr9 h GLN 116 N 1.08 0.94 -0.40 3.45 4.20 -0.60 0.56 115.11 124.34 1pr9 h GLN 116 Ca 0.22 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1pr9 h GLN 116 Cb 0.38 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1pr9 h GLN 116 CO 0.00 0.62 0.10 0.82 -0.67 0.00 0.00 178.83 179.71 1pr9 h ILE 117 N 0.97 1.22 -0.24 2.54 2.04 -0.89 0.62 117.51 123.77 1pr9 h ILE 117 Ca 0.27 -0.76 -0.15 0.00 1.00 0.00 0.00 64.86 65.21 1pr9 h ILE 117 Cb -0.10 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1pr9 h ILE 117 CO -0.06 0.27 -0.44 0.58 0.00 0.00 0.00 178.15 178.49 1pr9 h VAL 118 N 0.50 1.30 -0.58 1.67 2.07 -0.98 -3.03 116.25 117.21 1pr9 h VAL 118 Ca 0.13 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.93 1pr9 h VAL 118 Cb 0.30 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1pr9 h VAL 118 CO -0.00 0.52 0.07 0.00 0.02 0.00 0.00 177.57 178.18 1pr9 h ALA 119 N 0.64 1.02 -0.97 1.67 0.00 0.35 -1.94 119.26 120.02 1pr9 h ALA 119 Ca 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1pr9 h ALA 119 Cb 1.04 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1pr9 h ALA 119 CO 0.10 0.62 0.63 0.00 0.00 0.00 0.00 179.25 180.60 1pr9 h ARG 120 N 0.90 1.14 -0.08 0.00 3.08 -0.89 -2.13 114.38 116.40 1pr9 h ARG 120 Ca 0.18 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1pr9 h ARG 120 Cb 0.43 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1pr9 h ARG 120 CO 0.01 0.75 -0.48 0.78 -1.07 0.00 0.00 179.97 179.97 1pr9 h GLY 121 N 1.17 0.22 1.16 0.04 0.00 -1.34 -1.30 103.07 103.02 1pr9 h GLY 121 Ca 0.40 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.36 1pr9 h GLY 121 CO -0.15 0.20 -0.33 1.41 0.00 0.00 0.00 176.54 177.67 1pr9 h LEU 122 N 0.16 0.98 -0.37 3.11 3.38 -0.84 -2.43 115.31 119.30 1pr9 h LEU 122 Ca 0.01 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1pr9 h LEU 122 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1pr9 h LEU 122 CO 0.07 1.22 0.08 0.40 0.09 0.00 0.00 178.44 180.30 1pr9 h ILE 123 N 0.77 1.23 -0.12 1.22 2.04 -1.28 0.18 117.51 121.55 1pr9 h ILE 123 Ca 0.08 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1pr9 h ILE 123 Cb 0.92 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1pr9 h ILE 123 CO 0.09 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.47 1pr9 h ALA 124 N 0.93 1.72 -0.00 1.87 0.00 -1.19 -0.02 119.26 122.56 1pr9 h ALA 124 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pr9 h ALA 124 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pr9 h ALA 124 CO 0.00 0.21 -0.41 0.54 0.00 0.00 0.00 179.25 179.60 1pr9 n ARG 125 N -4.39 0.01 -3.47 0.00 1.74 -0.92 -4.95 116.66 104.68 1pr9 n ARG 125 Ca -0.01 -0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 1pr9 n ARG 125 Cb 0.18 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.19 1pr9 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pr9 n GLY 126 N 1.50 -0.37 3.40 -0.13 0.00 0.00 -5.03 105.19 104.56 1pr9 n GLY 126 Ca 0.06 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1pr9 n GLY 126 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pr9 s VAL 127 N -3.29 2.11 0.70 1.61 -7.23 -0.89 -5.04 120.40 108.37 1pr9 s VAL 127 Ca 0.50 -2.22 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 1pr9 s VAL 127 Cb -0.22 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1pr9 s VAL 127 CO 0.65 -0.41 1.07 -2.16 -0.31 0.00 0.00 175.10 173.93 1pr9 s PRO 128 N -3.33 2.93 0.04 4.82 0.04 -1.26 -4.63 135.00 133.60 1pr9 s PRO 128 Ca 0.24 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 1pr9 s PRO 128 Cb -0.04 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1pr9 s PRO 128 CO 0.10 -1.05 0.08 0.41 0.04 0.00 0.00 177.00 176.58 1pr9 n GLY 129 N -2.46 1.86 3.38 0.56 0.00 -0.96 -4.99 105.19 102.57 1pr9 n GLY 129 Ca 0.07 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1pr9 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr9 s ALA 130 N -1.10 -1.23 -0.07 4.61 0.00 -1.23 -1.58 121.76 121.15 1pr9 s ALA 130 Ca 0.02 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1pr9 s ALA 130 Cb -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1pr9 s ALA 130 CO 0.01 -0.27 -0.17 0.42 0.00 0.00 0.00 175.76 175.75 1pr9 s ILE 131 N -0.46 1.51 -0.13 0.00 1.01 0.11 -1.79 121.20 121.44 1pr9 s ILE 131 Ca -0.06 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1pr9 s ILE 131 Cb -0.03 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 1pr9 s ILE 131 CO 0.04 0.44 -0.17 -0.69 0.00 0.00 0.00 174.94 174.56 1pr9 s VAL 132 N 0.43 2.64 -0.27 2.92 1.01 0.50 -2.08 120.40 125.56 1pr9 s VAL 132 Ca -0.14 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1pr9 s VAL 132 Cb -0.16 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1pr9 s VAL 132 CO 0.05 0.53 0.22 0.20 0.00 0.00 0.00 175.10 176.10 1pr9 s ASN 133 N 0.56 6.09 -0.47 3.32 0.01 0.10 -0.13 114.94 124.42 1pr9 s ASN 133 Ca -0.10 0.08 -0.26 0.00 -0.71 0.00 0.00 52.86 51.87 1pr9 s ASN 133 Cb -0.16 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.39 1pr9 s ASN 133 CO 0.04 -0.05 0.94 -0.69 -1.51 0.00 0.00 177.10 175.83 1pr9 s VAL 134 N 1.66 4.44 0.00 1.60 1.01 -0.11 -1.93 120.40 127.07 1pr9 s VAL 134 Ca 0.09 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1pr9 s VAL 134 Cb -0.15 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1pr9 s VAL 134 CO 0.09 -0.86 0.00 -0.24 0.00 0.00 0.00 175.10 174.09 1pr9 n SER 135 N 7.24 0.00 -3.48 3.32 2.88 0.29 -4.89 113.62 118.97 1pr9 n SER 135 Ca 0.07 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.45 1pr9 n SER 135 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 1pr9 n SER 135 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pr9 s SER 136 N -0.97 -0.61 0.44 -3.46 0.15 -1.26 -4.42 113.70 103.58 1pr9 s SER 136 Ca 0.00 0.42 0.24 0.00 0.70 0.00 0.00 55.95 57.31 1pr9 s SER 136 Cb 0.00 0.55 1.25 0.00 -1.71 0.00 0.00 66.02 66.11 1pr9 s SER 136 CO 0.00 -0.74 1.78 -0.61 1.20 0.00 0.00 173.24 174.88 1pr9 h GLN 137 N 2.58 0.26 -0.63 5.44 4.15 -1.13 -0.38 115.11 125.40 1pr9 h GLN 137 Ca -0.29 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1pr9 h GLN 137 Cb 1.21 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1pr9 h GLN 137 CO 0.38 0.17 0.00 0.00 -1.93 0.00 0.00 178.83 177.45 1pr9 h SER 139 N 1.97 0.00 0.00 0.00 4.64 -1.32 -3.34 113.55 115.51 1pr9 h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pr9 h SER 139 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1pr9 h SER 139 CO 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1pr9 n GLN 140 N -2.66 3.85 -4.03 4.77 6.02 -1.11 -4.06 117.38 120.15 1pr9 n GLN 140 Ca 0.01 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 1pr9 n GLN 140 Cb 0.25 -0.31 -0.17 0.00 1.02 0.00 0.00 30.24 31.03 1pr9 n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1pr9 s ARG 141 N -0.55 0.84 0.49 -1.09 1.81 -1.20 -5.13 118.95 114.11 1pr9 s ARG 141 Ca 0.00 -0.06 -0.22 0.00 -1.72 0.00 0.00 55.73 53.73 1pr9 s ARG 141 Cb 0.00 -0.95 -0.06 0.00 -0.45 0.00 0.00 34.95 33.49 1pr9 s ARG 141 CO 0.00 -0.16 1.21 0.00 -0.68 0.00 0.00 175.30 175.68 1pr9 s ALA 142 N 1.29 2.89 -0.02 2.13 0.00 -1.26 -4.45 121.76 122.34 1pr9 s ALA 142 Ca -0.05 1.03 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1pr9 s ALA 142 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1pr9 s ALA 142 CO -0.02 -0.88 -0.09 0.08 0.00 0.00 0.00 175.76 174.86 1pr9 s VAL 143 N -1.50 0.73 0.45 0.00 1.01 -1.26 -5.09 120.40 114.73 1pr9 s VAL 143 Ca 0.67 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1pr9 s VAL 143 Cb -0.31 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1pr9 s VAL 143 CO 0.37 0.22 1.43 0.41 0.00 0.00 0.00 175.10 177.54 1pr9 n THR 144 N 3.19 2.79 -0.92 3.92 -1.04 -1.26 -1.94 114.28 119.01 1pr9 n THR 144 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1pr9 n THR 144 Cb 0.55 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1pr9 n THR 144 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1pr9 n ASN 145 N -0.17 -3.02 -0.80 8.00 3.02 -1.26 -4.86 115.26 116.16 1pr9 n ASN 145 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.63 1pr9 n ASN 145 Cb 0.41 -1.69 0.20 0.00 -0.61 0.00 0.00 39.78 38.09 1pr9 n ASN 145 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pr9 n HIS 146 N -2.36 0.61 -0.05 3.10 8.25 -0.82 -1.86 115.22 122.09 1pr9 n HIS 146 Ca 0.00 -1.37 -0.10 0.00 -0.26 0.00 0.00 57.72 55.99 1pr9 n HIS 146 Cb 0.16 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 1pr9 n HIS 146 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pr9 h SER 147 N 0.96 0.25 -0.18 0.41 4.64 -1.80 0.12 113.55 117.96 1pr9 h SER 147 Ca 0.09 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1pr9 h SER 147 Cb 1.35 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1pr9 h SER 147 CO 0.20 0.18 -0.11 0.58 -0.87 0.00 0.00 176.83 176.82 1pr9 h VAL 148 N 0.29 1.32 -0.18 0.95 2.07 -1.87 -1.69 116.25 117.14 1pr9 h VAL 148 Ca 0.08 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1pr9 h VAL 148 Cb -0.03 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1pr9 h VAL 148 CO -0.02 0.35 0.12 0.22 0.02 0.00 0.00 177.57 178.26 1pr9 h TYR 149 N 0.06 0.23 -0.43 1.57 3.20 -1.77 -1.84 116.97 117.98 1pr9 h TYR 149 Ca 0.04 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1pr9 h TYR 149 Cb 0.60 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1pr9 h TYR 149 CO 0.07 0.15 0.01 0.00 -1.64 0.00 0.00 178.16 176.75 1pr9 h SER 151 N 0.65 0.68 -0.50 0.00 0.02 -0.92 0.12 113.55 113.60 1pr9 h SER 151 Ca 0.13 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1pr9 h SER 151 Cb 0.39 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1pr9 h SER 151 CO 0.01 0.72 0.06 0.71 -1.14 0.00 0.00 176.83 177.20 1pr9 h THR 152 N 0.69 1.25 -0.02 -2.27 1.35 -0.86 0.06 112.91 113.10 1pr9 h THR 152 Ca 0.14 -0.98 -0.20 0.00 -0.55 0.00 0.00 66.41 64.82 1pr9 h THR 152 Cb 0.36 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1pr9 h THR 152 CO 0.01 0.36 -0.85 0.11 -0.25 0.00 0.00 175.52 174.90 1pr9 h LYS 153 N 0.84 0.31 -0.60 4.72 1.79 -1.20 0.18 116.57 122.63 1pr9 h LYS 153 Ca 0.17 -0.31 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 1pr9 h LYS 153 Cb 0.42 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1pr9 h LYS 153 CO 0.01 0.99 0.16 0.78 -1.08 0.00 0.00 179.45 180.31 1pr9 h GLY 154 N 1.50 1.02 1.48 3.86 0.00 -0.63 -1.34 103.07 108.97 1pr9 h GLY 154 Ca -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1pr9 h GLY 154 CO 0.14 0.59 0.16 0.00 0.00 0.00 0.00 176.54 177.42 1pr9 h ALA 155 N 1.04 1.42 -0.38 3.60 0.00 -0.73 -2.95 119.26 121.27 1pr9 h ALA 155 Ca 0.19 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1pr9 h ALA 155 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pr9 h ALA 155 CO -0.00 0.44 -0.40 1.25 0.00 0.00 0.00 179.25 180.54 1pr9 h LEU 156 N 0.66 1.00 -0.62 0.00 5.85 -0.09 -0.08 115.31 122.03 1pr9 h LEU 156 Ca 0.16 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1pr9 h LEU 156 Cb 0.18 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1pr9 h LEU 156 CO -0.01 1.27 0.33 0.44 -0.34 0.00 0.00 178.44 180.13 1pr9 h ASP 157 N 0.76 0.48 -0.16 1.25 3.32 -1.16 -0.02 116.42 120.89 1pr9 h ASP 157 Ca 0.06 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1pr9 h ASP 157 Cb 1.00 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1pr9 h ASP 157 CO 0.10 0.32 -0.52 -0.03 -1.72 0.00 0.00 179.24 177.38 1pr9 h MET 158 N 0.62 0.74 -0.85 3.56 4.05 -1.36 -2.74 114.93 118.96 1pr9 h MET 158 Ca 0.28 -0.45 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 1pr9 h MET 158 Cb 0.18 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.98 1pr9 h MET 158 CO -0.18 1.08 0.56 1.25 0.23 0.00 0.00 176.91 179.84 1pr9 h LEU 159 N 0.57 0.95 -0.77 3.39 5.85 -0.66 -1.27 115.31 123.37 1pr9 h LEU 159 Ca 0.02 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1pr9 h LEU 159 Cb 1.10 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1pr9 h LEU 159 CO 0.11 0.67 0.37 0.74 -0.34 0.00 0.00 178.44 179.98 1pr9 h THR 160 N 1.11 0.76 -0.29 1.05 2.02 -0.83 0.06 112.91 116.79 1pr9 h THR 160 Ca 0.32 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 1pr9 h THR 160 Cb -0.07 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1pr9 h THR 160 CO -0.09 0.10 -0.46 0.11 0.37 0.00 0.00 175.52 175.55 1pr9 h LYS 161 N 0.57 0.76 -0.29 6.66 1.57 -0.95 -1.19 116.57 123.70 1pr9 h LYS 161 Ca 0.40 -0.44 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1pr9 h LYS 161 Cb 0.53 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1pr9 h LYS 161 CO -0.34 1.06 -0.45 0.28 -0.57 0.00 0.00 179.45 179.43 1pr9 h VAL 162 N 0.61 1.29 -0.30 0.50 2.07 -0.89 -1.41 116.25 118.12 1pr9 h VAL 162 Ca 0.03 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 65.95 1pr9 h VAL 162 Cb 1.03 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1pr9 h VAL 162 CO 0.10 0.53 0.09 0.24 0.02 0.00 0.00 177.57 178.55 1pr9 h MET 163 N 0.60 0.21 -0.79 1.57 2.86 -0.94 0.12 114.93 118.56 1pr9 h MET 163 Ca 0.04 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1pr9 h MET 163 Cb 1.01 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.56 1pr9 h MET 163 CO 0.10 0.14 0.46 0.00 1.06 0.00 0.00 176.91 178.67 1pr9 h ALA 164 N 1.20 1.11 -0.15 6.32 0.00 -1.06 0.55 119.26 127.22 1pr9 h ALA 164 Ca 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1pr9 h ALA 164 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pr9 h ALA 164 CO -0.15 0.13 -0.00 1.25 0.00 0.00 0.00 179.25 180.47 1pr9 h LEU 165 N 0.81 0.27 0.00 0.00 5.85 -0.62 -1.00 115.31 120.61 1pr9 h LEU 165 Ca 0.37 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1pr9 h LEU 165 Cb 0.27 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1pr9 h LEU 165 CO -0.21 0.52 -0.67 -0.33 -0.34 0.00 0.00 178.44 177.41 1pr9 h GLU 166 N 0.01 0.00 0.00 1.25 5.08 -0.61 -3.26 114.58 117.05 1pr9 h GLU 166 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1pr9 h GLU 166 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1pr9 h GLU 166 CO 0.01 0.49 -0.95 1.28 -1.00 0.00 0.00 179.01 178.84 1pr9 n LEU 167 N -3.18 0.75 -0.23 1.33 4.77 0.19 -4.44 117.00 116.20 1pr9 n LEU 167 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1pr9 n LEU 167 Cb 0.76 -0.08 0.12 0.00 -2.33 0.00 0.00 43.42 41.89 1pr9 n LEU 167 CO 0.41 0.17 1.04 1.23 -1.33 0.00 0.00 177.39 178.91 1pr9 h GLY 168 N 4.86 0.98 2.00 -0.72 0.00 -1.21 -0.99 103.07 107.98 1pr9 h GLY 168 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1pr9 h GLY 168 CO 0.00 0.05 0.00 -2.55 0.00 0.00 0.00 176.54 174.04 1pr9 h PRO 169 N 0.55 0.00 -0.63 4.80 0.11 -1.78 -1.07 132.00 133.97 1pr9 h PRO 169 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1pr9 h PRO 169 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1pr9 h PRO 169 CO -0.27 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.24 1pr9 n HIS 170 N -2.39 1.69 -3.07 0.65 8.25 -0.39 -4.93 115.22 115.03 1pr9 n HIS 170 Ca -0.01 -0.62 -0.22 0.00 -0.26 0.00 0.00 57.72 56.61 1pr9 n HIS 170 Cb 0.10 -0.37 0.02 0.00 1.12 0.00 0.00 29.99 30.86 1pr9 n HIS 170 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1pr9 n LYS 171 N 0.79 -4.40 -3.76 -0.41 5.02 -0.40 -4.63 118.16 110.36 1pr9 n LYS 171 Ca 0.25 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.97 1pr9 n LYS 171 Cb 1.00 -5.62 -0.13 0.00 -0.02 0.00 0.00 35.03 30.26 1pr9 n LYS 171 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pr9 s ILE 172 N -3.10 4.20 0.16 -0.18 1.01 -1.13 -2.27 121.20 119.88 1pr9 s ILE 172 Ca 0.31 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1pr9 s ILE 172 Cb -0.15 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 1pr9 s ILE 172 CO 0.39 0.28 0.48 -0.13 0.00 0.00 0.00 174.94 175.95 1pr9 s ARG 173 N 1.58 3.79 -0.05 2.79 0.52 -0.62 -3.97 118.95 123.00 1pr9 s ARG 173 Ca 0.06 0.22 -0.02 0.00 -0.52 0.00 0.00 55.73 55.47 1pr9 s ARG 173 Cb -0.16 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.52 1pr9 s ARG 173 CO 0.03 0.44 0.04 0.08 0.02 0.00 0.00 175.30 175.91 1pr9 s VAL 174 N -1.62 0.06 0.04 3.52 1.01 -1.26 0.05 120.40 122.20 1pr9 s VAL 174 Ca 0.41 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 1pr9 s VAL 174 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1pr9 s VAL 174 CO 0.21 0.21 -0.03 0.20 0.00 0.00 0.00 175.10 175.68 1pr9 s ASN 175 N 2.06 0.45 0.15 3.32 0.01 -0.88 0.23 114.94 120.28 1pr9 s ASN 175 Ca 0.04 -0.86 0.09 0.00 -0.71 0.00 0.00 52.86 51.42 1pr9 s ASN 175 Cb -0.12 0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 1pr9 s ASN 175 CO -0.04 -0.51 -0.13 0.00 -1.51 0.00 0.00 177.10 174.92 1pr9 s ALA 176 N -3.20 2.85 -0.03 0.60 0.00 -0.10 0.00 121.76 121.88 1pr9 s ALA 176 Ca 0.01 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.62 1pr9 s ALA 176 Cb 0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1pr9 s ALA 176 CO -0.07 0.53 -0.20 0.14 0.00 0.00 0.00 175.76 176.16 1pr9 s VAL 177 N -1.45 2.59 -0.56 0.00 -7.23 -0.81 -1.45 120.40 111.48 1pr9 s VAL 177 Ca 0.22 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.49 1pr9 s VAL 177 Cb -0.10 -1.97 0.16 0.00 0.56 0.00 0.00 36.38 35.03 1pr9 s VAL 177 CO 0.13 0.57 0.38 0.20 -0.31 0.00 0.00 175.10 176.07 1pr9 s ASN 178 N -0.74 3.70 0.59 4.85 -0.87 0.16 -0.55 114.94 122.08 1pr9 s ASN 178 Ca 0.11 -3.32 -0.12 0.00 -1.57 0.00 0.00 52.86 47.96 1pr9 s ASN 178 Cb -0.10 -1.21 -0.05 0.00 -0.02 0.00 0.00 41.25 39.87 1pr9 s ASN 178 CO 0.00 -0.16 1.01 -2.84 -2.57 0.00 0.00 177.10 172.54 1pr9 s PRO 179 N -0.58 3.69 0.00 -0.60 0.02 -1.26 -2.22 135.00 134.05 1pr9 s PRO 179 Ca 0.24 0.78 0.00 0.00 0.02 0.00 0.00 61.00 62.05 1pr9 s PRO 179 Cb -0.09 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1pr9 s PRO 179 CO -0.12 -0.47 0.00 -2.37 -0.33 0.00 0.00 177.00 173.70 1pr9 n THR 180 N -2.41 0.00 -1.71 0.99 5.66 -0.78 -0.95 114.28 115.08 1pr9 n THR 180 Ca 0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.64 1pr9 n THR 180 Cb 0.54 -1.97 -0.01 0.00 -1.55 0.00 0.00 70.33 67.34 1pr9 n THR 180 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1pr9 n VAL 181 N -1.24 1.98 -4.88 1.08 0.31 -1.26 -4.79 118.33 109.53 1pr9 n VAL 181 Ca 0.00 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.56 1pr9 n VAL 181 Cb 0.00 -1.63 -0.17 0.00 -0.91 0.00 0.00 33.84 31.14 1pr9 n VAL 181 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pr9 s VAL 182 N -1.08 1.55 0.00 2.52 1.01 -1.26 -1.66 120.40 121.48 1pr9 s VAL 182 Ca 0.55 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1pr9 s VAL 182 Cb -0.56 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1pr9 s VAL 182 CO 0.62 0.45 1.88 0.23 0.00 0.00 0.00 175.10 178.28 1pr9 n MET 183 N 3.58 0.99 -0.38 2.72 2.81 -1.26 -3.53 117.12 122.06 1pr9 n MET 183 Ca -0.21 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.38 1pr9 n MET 183 Cb 0.52 -1.01 0.29 0.00 -0.71 0.00 0.00 33.22 32.32 1pr9 n MET 183 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1pr9 s THR 184 N 0.02 1.16 0.30 2.03 -4.23 -1.26 -4.47 115.64 109.19 1pr9 s THR 184 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1pr9 s THR 184 Cb 0.00 -2.08 0.29 0.00 1.34 0.00 0.00 72.50 72.05 1pr9 s THR 184 CO 0.00 0.00 1.89 0.77 -0.54 0.00 0.00 174.62 176.74 1pr9 h SER 185 N -3.46 0.89 -0.21 3.99 4.64 -1.98 0.13 113.55 117.55 1pr9 h SER 185 Ca -0.42 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1pr9 h SER 185 Cb 1.34 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1pr9 h SER 185 CO 0.27 0.53 -0.20 -0.03 -0.87 0.00 0.00 176.83 176.53 1pr9 h MET 186 N 0.99 0.65 0.04 4.77 -1.53 -1.90 -1.52 114.93 116.43 1pr9 h MET 186 Ca 0.43 -0.24 -0.23 0.00 -3.44 0.00 0.00 59.70 56.21 1pr9 h MET 186 Cb 0.34 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.34 1pr9 h MET 186 CO -0.18 0.80 -1.02 0.78 0.14 0.00 0.00 176.91 177.42 1pr9 h GLY 187 N 0.99 0.35 2.00 1.39 0.00 -1.22 -3.27 103.07 103.31 1pr9 h GLY 187 Ca 0.09 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1pr9 h GLY 187 CO 0.05 0.62 -0.03 1.46 0.00 0.00 0.00 176.54 178.63 1pr9 h GLN 188 N 0.15 0.00 0.00 4.80 4.20 -0.62 0.20 115.11 123.84 1pr9 h GLN 188 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1pr9 h GLN 188 Cb 1.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.47 1pr9 h GLN 188 CO 0.17 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.36 1pr9 n ALA 189 N -2.11 1.56 0.00 3.87 0.00 -0.59 -3.62 120.51 119.63 1pr9 n ALA 189 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pr9 n ALA 189 Cb 0.47 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1pr9 n ALA 189 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pr9 n THR 190 N -1.90 0.00 -1.62 0.00 -2.24 -0.85 -4.85 114.28 102.82 1pr9 n THR 190 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1pr9 n THR 190 Cb 0.17 -0.34 0.19 0.00 -2.10 0.00 0.00 70.33 68.25 1pr9 n THR 190 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1pr9 n TRP 191 N -1.59 0.55 0.09 4.78 7.02 0.65 -4.63 117.44 124.31 1pr9 n TRP 191 Ca 0.00 -1.62 -0.02 0.00 -1.02 0.00 0.00 57.50 54.84 1pr9 n TRP 191 Cb 0.23 -0.32 -0.06 0.00 -2.42 0.00 0.00 31.31 28.75 1pr9 n TRP 191 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1pr9 h SER 192 N 1.14 0.00 -2.84 -0.99 4.64 -1.74 -3.41 113.55 110.35 1pr9 h SER 192 Ca 0.09 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.85 1pr9 h SER 192 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1pr9 h SER 192 CO 0.18 0.74 1.00 -0.62 -0.87 0.00 0.00 176.83 177.26 1pr9 s ASP 193 N -6.46 6.74 0.49 4.97 2.15 -1.26 -4.89 116.67 118.41 1pr9 s ASP 193 Ca 0.01 1.76 0.40 0.00 0.43 0.00 0.00 52.55 55.15 1pr9 s ASP 193 Cb 0.09 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.77 1pr9 s ASP 193 CO 0.79 -0.93 1.58 -0.65 -0.17 0.00 0.00 175.17 175.78 1pr9 h PRO 194 N 9.13 0.00 0.12 4.34 0.11 -1.99 -1.91 132.00 141.79 1pr9 h PRO 194 Ca -0.31 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.56 1pr9 h PRO 194 Cb 1.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pr9 h PRO 194 CO 0.98 0.00 -1.21 1.12 -0.21 0.00 0.00 178.00 178.68 1pr9 h HIS 195 N 0.00 0.44 -0.64 0.65 2.07 -1.96 -2.15 115.15 113.56 1pr9 h HIS 195 Ca 0.91 -0.32 -0.05 0.00 -2.85 0.00 0.00 60.37 58.06 1pr9 h HIS 195 Cb 3.24 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 33.17 1pr9 h HIS 195 CO -0.00 1.47 0.21 -0.22 -3.07 0.00 0.00 177.93 176.32 1pr9 h LYS 196 N -0.37 0.99 -0.47 5.12 3.11 -1.75 -1.78 116.57 121.42 1pr9 h LYS 196 Ca -0.25 -0.21 0.05 0.00 -2.81 0.00 0.00 60.65 57.43 1pr9 h LYS 196 Cb 1.69 -0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 32.73 1pr9 h LYS 196 CO 0.07 0.86 0.20 0.00 -2.81 0.00 0.00 179.45 177.78 1pr9 h ALA 197 N 1.08 0.58 -0.93 5.00 0.00 -1.51 -2.61 119.26 120.87 1pr9 h ALA 197 Ca 0.21 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1pr9 h ALA 197 Cb 0.28 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1pr9 h ALA 197 CO -0.01 -0.17 0.55 -0.22 0.00 0.00 0.00 179.25 179.40 1pr9 h LYS 198 N 0.40 0.80 0.00 0.00 1.63 -0.63 -0.28 116.57 118.49 1pr9 h LYS 198 Ca 0.22 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 1pr9 h LYS 198 Cb 0.18 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1pr9 h LYS 198 CO -0.19 0.53 -0.17 1.79 -3.45 0.00 0.00 179.45 177.97 1pr9 h THR 199 N 0.83 1.01 0.17 1.00 1.35 -1.16 -1.74 112.91 114.38 1pr9 h THR 199 Ca 0.48 -0.59 -0.23 0.00 -0.55 0.00 0.00 66.41 65.52 1pr9 h THR 199 Cb 0.57 1.33 0.03 0.00 -1.73 0.00 0.00 68.15 68.35 1pr9 h THR 199 CO -0.30 0.16 -1.01 -0.03 -0.25 0.00 0.00 175.52 174.08 1pr9 h MET 200 N 0.00 0.37 -0.69 4.72 1.85 -1.12 -3.35 114.93 116.70 1pr9 h MET 200 Ca -0.00 -0.63 0.09 0.00 -0.61 0.00 0.00 59.70 58.56 1pr9 h MET 200 Cb 0.32 0.23 -0.07 0.00 0.43 0.00 0.00 31.60 32.51 1pr9 h MET 200 CO 0.02 1.30 0.33 -0.07 -0.40 0.00 0.00 176.91 178.09 1pr9 h LEU 201 N -0.23 0.42 -1.24 3.39 -0.00 -0.70 -1.26 115.31 115.70 1pr9 h LEU 201 Ca -0.18 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1pr9 h LEU 201 Cb 1.79 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.45 1pr9 h LEU 201 CO 0.19 0.24 0.00 0.78 -0.00 0.00 0.00 178.44 179.64 1pr9 h ASN 202 N 0.57 0.00 0.02 -0.43 2.35 -1.46 -1.35 115.58 115.28 1pr9 h ASN 202 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1pr9 h ASN 202 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1pr9 h ASN 202 CO -0.28 0.00 -0.37 0.54 -1.65 0.00 0.00 177.43 175.67 1pr9 n ARG 203 N -2.32 1.32 -3.52 0.81 5.12 -0.48 -4.82 116.66 112.77 1pr9 n ARG 203 Ca -0.00 -1.05 -0.42 0.00 -1.93 0.00 0.00 57.85 54.45 1pr9 n ARG 203 Cb 0.12 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 29.85 1pr9 n ARG 203 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1pr9 s ILE 204 N -2.41 4.58 0.36 0.55 1.01 -0.51 -4.41 121.20 120.38 1pr9 s ILE 204 Ca 0.21 -1.32 0.15 0.00 0.00 0.00 0.00 60.65 59.70 1pr9 s ILE 204 Cb 0.19 -3.80 0.36 0.00 0.01 0.00 0.00 42.46 39.21 1pr9 s ILE 204 CO 0.52 -0.56 1.71 -0.65 0.00 0.00 0.00 174.94 175.97 1pr9 h PRO 205 N 8.54 0.40 0.00 2.79 0.11 -1.80 1.43 132.00 143.47 1pr9 h PRO 205 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pr9 h PRO 205 Cb 1.09 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1pr9 h PRO 205 CO 0.81 0.26 0.00 1.28 -0.21 0.00 0.00 178.00 180.15 1pr9 n LEU 206 N -4.84 0.00 -2.06 2.35 4.77 -0.81 -4.90 117.00 111.51 1pr9 n LEU 206 Ca 0.29 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 56.23 1pr9 n LEU 206 Cb 0.92 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.85 1pr9 n LEU 206 CO 0.17 -0.00 -0.23 0.61 -1.33 0.00 0.00 177.39 176.61 1pr9 n GLY 207 N 1.13 -0.38 3.38 -0.72 0.00 0.49 -4.98 105.19 104.11 1pr9 n GLY 207 Ca 0.19 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1pr9 n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pr9 s LYS 208 N -4.90 1.18 0.78 1.61 -2.85 -1.26 -5.06 119.74 109.23 1pr9 s LYS 208 Ca 0.00 -0.63 -0.12 0.00 -1.00 0.00 0.00 55.97 54.23 1pr9 s LYS 208 Cb -0.00 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.36 1pr9 s LYS 208 CO 0.00 -0.49 1.16 -0.06 0.10 0.00 0.00 175.35 176.06 1pr9 s PHE 209 N -3.79 3.03 0.40 1.78 0.08 -1.26 -4.84 117.98 113.38 1pr9 s PHE 209 Ca 0.03 0.81 -0.20 0.00 0.12 0.00 0.00 56.93 57.68 1pr9 s PHE 209 Cb 0.00 -3.40 -0.11 0.00 -0.57 0.00 0.00 43.02 38.95 1pr9 s PHE 209 CO -0.12 -1.64 0.91 0.00 -0.10 0.00 0.00 175.22 174.27 1pr9 s ALA 210 N -3.52 3.11 0.29 5.36 0.00 -0.66 -5.03 121.76 121.31 1pr9 s ALA 210 Ca 0.61 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1pr9 s ALA 210 Cb -0.11 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1pr9 s ALA 210 CO 0.49 0.17 0.55 -1.21 0.00 0.00 0.00 175.76 175.76 1pr9 s GLU 211 N -3.03 3.60 0.29 0.00 0.41 -1.26 -4.05 118.70 114.66 1pr9 s GLU 211 Ca 0.59 -0.05 0.04 0.00 -0.41 0.00 0.00 54.97 55.14 1pr9 s GLU 211 Cb -0.10 -2.65 0.70 0.00 -1.78 0.00 0.00 34.13 30.30 1pr9 s GLU 211 CO 0.15 0.21 1.73 0.28 -0.49 0.00 0.00 175.26 177.13 1pr9 h VAL 212 N 1.27 0.58 -0.91 2.63 2.07 -1.98 -1.60 116.25 118.31 1pr9 h VAL 212 Ca -0.48 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1pr9 h VAL 212 Cb 1.19 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1pr9 h VAL 212 CO 0.66 0.10 0.60 -0.08 0.02 0.00 0.00 177.57 178.86 1pr9 h GLU 213 N 0.52 1.17 -0.83 1.57 4.81 -1.97 -0.36 114.58 119.48 1pr9 h GLU 213 Ca 0.55 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1pr9 h GLU 213 Cb 0.96 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1pr9 h GLU 213 CO -0.46 0.77 0.55 0.45 -0.73 0.00 0.00 179.01 179.59 1pr9 h HIS 214 N 1.20 1.03 -0.21 0.92 3.86 -1.69 -1.31 115.15 118.96 1pr9 h HIS 214 Ca 0.35 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.55 1pr9 h HIS 214 Cb -0.08 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.03 1pr9 h HIS 214 CO -0.01 0.64 0.01 0.28 0.86 0.00 0.00 177.93 179.71 1pr9 h VAL 215 N 1.11 1.25 -0.80 2.45 2.07 -1.21 -2.52 116.25 118.60 1pr9 h VAL 215 Ca 0.31 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1pr9 h VAL 215 Cb -0.11 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1pr9 h VAL 215 CO -0.07 0.26 0.50 0.58 0.02 0.00 0.00 177.57 178.85 1pr9 h VAL 216 N 0.14 1.06 -0.67 2.57 2.07 -0.90 -0.79 116.25 119.73 1pr9 h VAL 216 Ca 0.06 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1pr9 h VAL 216 Cb 0.38 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1pr9 h VAL 216 CO 0.01 0.17 0.42 0.78 0.02 0.00 0.00 177.57 178.97 1pr9 h ASN 217 N 0.93 0.69 -0.70 0.57 2.35 -1.13 0.12 115.58 118.42 1pr9 h ASN 217 Ca 0.34 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.01 1pr9 h ASN 217 Cb 0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 1pr9 h ASN 217 CO -0.15 0.48 0.15 0.00 -1.65 0.00 0.00 177.43 176.26 1pr9 h ALA 218 N 1.28 0.92 -0.21 -0.83 0.00 -0.85 -1.83 119.26 117.74 1pr9 h ALA 218 Ca 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pr9 h ALA 218 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pr9 h ALA 218 CO -0.10 0.67 0.10 0.82 0.00 0.00 0.00 179.25 180.74 1pr9 h ILE 219 N 1.06 0.99 -0.58 0.00 2.04 -0.16 -1.69 117.51 119.18 1pr9 h ILE 219 Ca 0.22 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 1pr9 h ILE 219 Cb 0.41 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1pr9 h ILE 219 CO 0.01 0.04 0.16 -0.07 0.00 0.00 0.00 178.15 178.29 1pr9 h LEU 220 N 0.21 0.81 -0.46 1.44 3.38 -0.62 -0.62 115.31 119.46 1pr9 h LEU 220 Ca 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1pr9 h LEU 220 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1pr9 h LEU 220 CO -0.06 0.78 0.21 0.15 0.09 0.00 0.00 178.44 179.60 1pr9 h PHE 221 N 0.85 0.67 0.00 1.13 3.04 -0.97 -1.74 116.94 119.93 1pr9 h PHE 221 Ca 0.19 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1pr9 h PHE 221 Cb 0.27 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 1pr9 h PHE 221 CO 0.02 0.55 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.77 1pr9 h LEU 222 N 0.59 0.00 0.05 0.59 3.38 -0.78 -2.59 115.31 116.56 1pr9 h LEU 222 Ca 0.16 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.87 1pr9 h LEU 222 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1pr9 h LEU 222 CO -0.02 0.02 -1.24 -0.07 0.09 0.00 0.00 178.44 177.22 1pr9 h LEU 223 N 0.00 0.18-10.41 1.67 3.38 -0.90 -3.46 115.31 105.77 1pr9 h LEU 223 Ca -0.00 -0.22 -0.50 0.00 0.09 0.00 0.00 57.88 57.25 1pr9 h LEU 223 Cb 0.67 -0.06 0.07 0.00 0.09 0.00 0.00 40.66 41.43 1pr9 h LEU 223 CO 0.00 1.17 0.41 -0.94 0.09 0.00 0.00 178.44 179.18 1pr9 s SER 224 N -6.80 5.79 0.30 -0.43 1.04 -0.67 -4.81 113.70 108.11 1pr9 s SER 224 Ca -0.03 1.32 0.23 0.00 0.48 0.00 0.00 55.95 57.95 1pr9 s SER 224 Cb 0.08 -2.24 1.11 0.00 0.10 0.00 0.00 66.02 65.07 1pr9 s SER 224 CO 0.84 -1.14 1.70 0.47 0.98 0.00 0.00 173.24 176.09 1pr9 n ASP 225 N -2.91 0.64 0.33 7.02 8.00 -1.25 -2.31 116.55 126.08 1pr9 n ASP 225 Ca 0.07 0.73 0.20 0.00 0.71 0.00 0.00 54.79 56.49 1pr9 n ASP 225 Cb 0.55 -0.84 1.06 0.00 -0.02 0.00 0.00 41.12 41.88 1pr9 n ASP 225 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1pr9 h ARG 226 N 0.00 0.00 -0.78 -1.24 -0.00 -1.85 -2.37 114.38 108.14 1pr9 h ARG 226 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.98 58.93 1pr9 h ARG 226 Cb 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 29.97 29.78 1pr9 h ARG 226 CO 0.00 0.00 -0.33 -1.13 0.00 0.00 0.00 179.97 178.51 1pr9 n SER 227 N -3.06 5.43 0.33 7.04 3.41 -0.98 -4.82 113.62 120.97 1pr9 n SER 227 Ca -0.02 -3.77 0.18 0.00 -0.26 0.00 0.00 58.87 55.00 1pr9 n SER 227 Cb 0.19 -0.53 0.97 0.00 -0.26 0.00 0.00 64.21 64.58 1pr9 n SER 227 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pr9 h GLY 228 N 2.04 0.00 -0.58 5.00 0.00 -1.64 -0.20 103.07 107.68 1pr9 h GLY 228 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1pr9 h GLY 228 CO 0.94 0.00 -0.09 1.03 0.00 0.00 0.00 176.54 178.42 1pr9 n MET 229 N -3.03 1.65 -3.87 4.80 2.81 -1.26 -4.94 117.12 113.28 1pr9 n MET 229 Ca -0.02 -2.79 -0.35 0.00 -1.81 0.00 0.00 57.70 52.73 1pr9 n MET 229 Cb 0.27 -1.60 -0.14 0.00 -0.71 0.00 0.00 33.22 31.04 1pr9 n MET 229 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1pr9 s THR 230 N -2.96 3.64 -0.01 2.03 2.01 -0.09 -5.07 115.64 115.20 1pr9 s THR 230 Ca 0.36 -0.40 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 1pr9 s THR 230 Cb 0.31 -2.67 0.05 0.00 0.01 0.00 0.00 72.50 70.20 1pr9 s THR 230 CO 0.02 0.40 0.50 0.28 -0.69 0.00 0.00 174.62 175.13 1pr9 s THR 231 N 1.51 0.03 -0.11 -0.82 -1.32 -1.26 -4.69 115.64 108.99 1pr9 s THR 231 Ca 0.06 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1pr9 s THR 231 Cb -0.14 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1pr9 s THR 231 CO -0.01 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1pr9 n GLY 232 N 0.85 0.44 3.96 6.08 0.00 0.13 -4.97 105.19 111.69 1pr9 n GLY 232 Ca -0.20 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1pr9 n GLY 232 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pr9 s SER 233 N -2.16 6.21 -0.32 1.61 1.04 -1.26 -4.62 113.70 114.20 1pr9 s SER 233 Ca 0.00 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.69 1pr9 s SER 233 Cb 0.00 -1.82 0.09 0.00 0.10 0.00 0.00 66.02 64.39 1pr9 s SER 233 CO 0.00 -0.28 0.02 0.42 0.98 0.00 0.00 173.24 174.38 1pr9 s THR 234 N -2.21 2.20 -0.41 2.02 -4.23 -1.26 -0.93 115.64 110.82 1pr9 s THR 234 Ca 0.39 -2.18 -0.28 0.00 -1.18 0.00 0.00 61.69 58.44 1pr9 s THR 234 Cb -0.09 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1pr9 s THR 234 CO 0.33 -0.50 1.06 -0.22 -0.54 0.00 0.00 174.62 174.75 1pr9 s LEU 235 N 0.97 3.83 0.13 4.79 0.20 -0.53 -4.87 118.68 123.19 1pr9 s LEU 235 Ca 0.07 0.63 -0.30 0.00 0.69 0.00 0.00 54.13 55.22 1pr9 s LEU 235 Cb -0.19 -3.45 -0.06 0.00 -0.43 0.00 0.00 46.19 42.05 1pr9 s LEU 235 CO -0.08 -1.04 0.97 -2.16 -0.29 0.00 0.00 176.35 173.74 1pr9 s PRO 236 N 3.95 4.71 -0.50 0.98 0.04 -1.26 0.39 135.00 143.31 1pr9 s PRO 236 Ca 0.44 1.47 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1pr9 s PRO 236 Cb -0.10 -3.36 0.35 0.00 0.04 0.00 0.00 34.50 31.43 1pr9 s PRO 236 CO 0.24 0.23 0.90 0.28 0.04 0.00 0.00 177.00 178.69 1pr9 n VAL 237 N 2.64 2.01 -1.42 -0.36 0.31 -0.94 -4.88 118.33 115.69 1pr9 n VAL 237 Ca 0.02 -5.17 0.06 0.00 -0.01 0.00 0.00 64.34 59.24 1pr9 n VAL 237 Cb 0.49 -0.99 0.08 0.00 -0.91 0.00 0.00 33.84 32.51 1pr9 n VAL 237 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1pr9 n GLU 238 N -0.10 0.79 -1.42 5.55 -0.00 -1.26 -1.86 120.64 122.33 1pr9 n GLU 238 Ca 0.29 -1.92 -0.14 0.00 -0.00 0.00 0.00 57.16 55.39 1pr9 n GLU 238 Cb 0.50 -1.09 -0.06 0.00 -0.00 0.00 0.00 31.44 30.79 1pr9 n GLU 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pr9 n GLY 239 N -0.84 1.46 0.31 -1.84 0.00 -1.26 -1.64 105.19 101.39 1pr9 n GLY 239 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1pr9 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pr9 n GLY 240 N -0.77 0.91 0.37 -0.02 0.00 -1.26 -1.93 105.19 102.48 1pr9 n GLY 240 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 1pr9 n GLY 240 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pr9 h PHE 241 N 0.00 1.13 0.00 1.61 3.57 -1.52 -2.08 116.94 119.65 1pr9 h PHE 241 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pr9 h PHE 241 Cb 0.00 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1pr9 h PHE 241 CO 0.00 0.53 0.00 -1.49 -2.23 0.00 0.00 178.31 175.12 1pr9 h TRP 242 N 1.06 0.00 0.00 0.41 6.55 -1.91 -3.15 115.95 118.92 1pr9 h TRP 242 Ca 0.45 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.29 1pr9 h TRP 242 Cb 0.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 1pr9 h TRP 242 CO -0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 178.44 177.21 1pr9 n ALA 243 N -1.95 2.49 -0.83 1.49 0.00 -0.78 -5.19 120.51 115.75 1pr9 n ALA 243 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1pr9 n ALA 243 Cb 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1pr9 n ALA 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50