#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwq s SER 3 N 0.00 6.52 -0.07 4.04 0.01 -1.26 -4.49 113.70 118.44 2nwq s SER 3 Ca 0.00 -1.91 0.03 0.00 1.31 0.00 0.00 55.95 55.37 2nwq s SER 3 Cb 0.00 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 2nwq s SER 3 CO 0.00 -1.04 -0.14 0.42 0.41 0.00 0.00 173.24 172.88 2nwq s THR 4 N 2.45 3.02 -0.03 1.44 -4.23 -1.26 -0.68 115.64 116.35 2nwq s THR 4 Ca 0.25 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2nwq s THR 4 Cb -0.10 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.55 2nwq s THR 4 CO -0.04 0.57 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.34 2nwq s LEU 5 N -0.40 1.49 -0.20 4.79 2.96 0.51 -1.10 118.68 126.72 2nwq s LEU 5 Ca 0.05 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2nwq s LEU 5 Cb -0.12 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 2nwq s LEU 5 CO 0.02 -0.02 0.06 0.12 -1.32 0.00 0.00 176.35 175.21 2nwq s PHE 6 N 0.65 3.18 -0.17 5.38 5.36 -0.38 -0.31 117.98 131.69 2nwq s PHE 6 Ca -0.08 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 2nwq s PHE 6 Cb -0.12 -2.13 0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2nwq s PHE 6 CO 0.00 -0.02 -0.08 0.42 -1.46 0.00 0.00 175.22 174.08 2nwq s ILE 7 N 0.78 1.36 0.24 3.12 1.01 0.37 -1.04 121.20 127.04 2nwq s ILE 7 Ca 0.03 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 2nwq s ILE 7 Cb -0.13 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 2nwq s ILE 7 CO 0.02 0.20 0.86 0.42 0.00 0.00 0.00 174.94 176.44 2nwq s THR 8 N 1.53 4.28 -1.14 2.92 -4.23 -0.90 -1.62 115.64 116.47 2nwq s THR 8 Ca 0.01 1.77 -0.03 0.00 -1.18 0.00 0.00 61.69 62.26 2nwq s THR 8 Cb -0.15 -4.11 -0.03 0.00 1.34 0.00 0.00 72.50 69.55 2nwq s THR 8 CO -0.08 0.37 0.95 0.61 -0.54 0.00 0.00 174.62 175.93 2nwq n GLY 9 N 1.16 -0.71 0.00 3.99 0.00 -1.06 -2.55 105.19 106.02 2nwq n GLY 9 Ca -0.02 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.44 2nwq n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq n ALA 10 N -3.75 2.35 0.02 4.61 0.00 0.11 -1.62 120.51 122.23 2nwq n ALA 10 Ca -0.19 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.12 2nwq n ALA 10 Cb 0.65 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.70 2nwq n ALA 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2nwq n THR 11 N -1.18 0.51 -5.02 0.00 -2.24 -1.26 -1.28 114.28 103.80 2nwq n THR 11 Ca 0.15 -0.75 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 2nwq n THR 11 Cb 0.16 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.01 2nwq n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2nwq s SER 12 N -0.59 3.66 1.90 3.42 0.01 -0.64 -4.86 113.70 116.61 2nwq s SER 12 Ca 0.03 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2nwq s SER 12 Cb 0.02 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2nwq s SER 12 CO 0.03 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2nwq n GLY 13 N 2.67 4.23 0.34 3.44 0.00 -1.26 -1.92 105.19 112.69 2nwq n GLY 13 Ca -0.17 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2nwq n GLY 13 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nwq n PHE 14 N 14.00 0.00 -0.12 1.61 3.72 -1.26 -4.43 117.46 130.98 2nwq n PHE 14 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2nwq n PHE 14 Cb 0.00 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2nwq n PHE 14 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2nwq h GLY 15 N 4.90 0.57 0.97 1.37 0.00 -1.55 -2.11 103.07 107.22 2nwq h GLY 15 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2nwq h GLY 15 CO 0.00 0.25 -0.10 -2.09 0.00 0.00 0.00 176.54 174.61 2nwq h GLU 16 N 0.48 0.75 -0.75 4.80 4.81 -1.40 -1.99 114.58 121.28 2nwq h GLU 16 Ca 0.13 -0.29 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2nwq h GLU 16 Cb 0.07 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2nwq h GLU 16 CO -0.02 0.89 0.50 0.00 -0.73 0.00 0.00 179.01 179.65 2nwq h ALA 17 N 0.84 1.57 -0.21 2.92 0.00 -1.83 -0.35 119.26 122.20 2nwq h ALA 17 Ca 0.10 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2nwq h ALA 17 Cb 0.62 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2nwq h ALA 17 CO 0.04 0.34 -0.58 0.00 0.00 0.00 0.00 179.25 179.06 2nwq h ALA 19 N 0.85 0.36 -0.03 0.00 0.00 -0.63 -1.75 119.26 118.05 2nwq h ALA 19 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2nwq h ALA 19 Cb 1.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2nwq h ALA 19 CO 0.11 0.00 0.01 0.00 0.00 0.00 0.00 179.25 179.37 2nwq h ARG 20 N 0.27 0.02 -0.12 0.00 3.08 -1.03 0.05 114.38 116.65 2nwq h ARG 20 Ca 0.09 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2nwq h ARG 20 Cb 0.26 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2nwq h ARG 20 CO -0.00 0.01 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.76 2nwq h ARG 21 N 0.02 -0.05 0.00 0.04 9.65 -1.20 -1.76 114.38 121.08 2nwq h ARG 21 Ca 0.01 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2nwq h ARG 21 Cb 0.01 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2nwq h ARG 21 CO -0.02 -0.03 -0.18 0.74 2.80 0.00 0.00 179.97 183.28 2nwq h PHE 22 N -0.05 0.00 -0.40 2.20 -1.00 -1.26 -2.89 116.94 113.54 2nwq h PHE 22 Ca 0.07 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.78 2nwq h PHE 22 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2nwq h PHE 22 CO -0.19 0.18 -0.01 0.00 -1.61 0.00 0.00 178.31 176.68 2nwq h ALA 23 N 1.82 0.54 0.00 2.45 0.00 -0.41 -1.90 119.26 121.77 2nwq h ALA 23 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2nwq h ALA 23 Cb 0.77 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2nwq h ALA 23 CO 0.02 0.33 -0.10 1.05 0.00 0.00 0.00 179.25 180.55 2nwq h GLU 24 N 0.54 0.00 -0.00 0.00 4.11 -1.14 -1.72 114.58 116.37 2nwq h GLU 24 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2nwq h GLU 24 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2nwq h GLU 24 CO 0.02 0.10 -0.29 0.00 0.07 0.00 0.00 179.01 178.91 2nwq n ALA 25 N -2.17 3.06 -0.94 1.06 0.00 -1.05 -4.96 120.51 115.51 2nwq n ALA 25 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2nwq n ALA 25 Cb 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2nwq n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 26 N 1.47 0.48 3.77 0.00 0.00 -0.65 -5.06 105.19 105.21 2nwq n GLY 26 Ca 0.07 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 2nwq n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2nwq s TRP 27 N -2.00 3.33 0.16 1.61 0.52 -0.78 -4.89 118.94 116.90 2nwq s TRP 27 Ca 0.00 1.64 -0.30 0.00 0.02 0.00 0.00 56.10 57.46 2nwq s TRP 27 Cb 0.00 -3.26 -0.08 0.00 -1.15 0.00 0.00 33.47 28.99 2nwq s TRP 27 CO 0.00 -0.78 1.21 -1.12 0.02 0.00 0.00 176.95 176.28 2nwq s SER 28 N -1.19 7.07 -0.09 2.95 0.01 0.15 -4.57 113.70 118.03 2nwq s SER 28 Ca 0.52 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.99 2nwq s SER 28 Cb -0.28 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.32 2nwq s SER 28 CO 0.36 -0.40 -0.08 -0.76 0.41 0.00 0.00 173.24 172.77 2nwq s LEU 29 N 0.04 3.08 -0.20 2.44 1.02 0.31 -0.37 118.68 125.02 2nwq s LEU 29 Ca 0.54 -0.10 -0.04 0.00 0.02 0.00 0.00 54.13 54.56 2nwq s LEU 29 Cb -0.32 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 2nwq s LEU 29 CO 0.35 0.30 -0.04 -0.69 0.02 0.00 0.00 176.35 176.29 2nwq s VAL 30 N -0.43 3.58 -0.14 -1.59 1.01 0.58 0.05 120.40 123.47 2nwq s VAL 30 Ca 0.06 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2nwq s VAL 30 Cb -0.12 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2nwq s VAL 30 CO 0.02 0.44 -0.19 -0.76 0.00 0.00 0.00 175.10 174.61 2nwq s LEU 31 N 1.13 1.98 0.03 3.92 1.43 -0.55 -0.48 118.68 126.16 2nwq s LEU 31 Ca 0.02 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2nwq s LEU 31 Cb -0.15 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2nwq s LEU 31 CO -0.00 0.03 0.12 0.42 0.23 0.00 0.00 176.35 177.15 2nwq s THR 32 N 1.03 4.89 -0.20 5.49 -4.23 -0.64 -0.38 115.64 121.61 2nwq s THR 32 Ca -0.03 -0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 59.72 2nwq s THR 32 Cb -0.15 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.49 2nwq s THR 32 CO -0.05 0.23 0.91 -0.83 -0.54 0.00 0.00 174.62 174.34 2nwq s GLY 33 N -2.13 -0.32 0.18 3.99 0.00 -1.02 0.03 107.32 108.05 2nwq s GLY 33 Ca 0.28 2.12 0.04 0.00 0.00 0.00 0.00 44.72 47.16 2nwq s GLY 33 CO 0.20 1.40 1.41 3.21 0.00 0.00 0.00 173.10 179.32 2nwq h ARG 34 N 3.56 0.15 -5.27 2.90 3.08 -1.88 -1.79 114.38 115.13 2nwq h ARG 34 Ca -0.25 -0.16 -0.66 0.00 0.07 0.00 0.00 59.98 58.99 2nwq h ARG 34 Cb 1.16 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 31.10 2nwq h ARG 34 CO 0.22 0.90 0.21 1.03 -1.07 0.00 0.00 179.97 181.26 2nwq s ARG 35 N -3.24 3.20 0.14 0.04 0.52 -1.26 -4.77 118.95 113.58 2nwq s ARG 35 Ca -0.02 -0.67 -0.17 0.00 -0.52 0.00 0.00 55.73 54.35 2nwq s ARG 35 Cb 0.11 -4.08 -0.01 0.00 0.52 0.00 0.00 34.95 31.49 2nwq s ARG 35 CO 0.82 -1.30 1.78 1.49 0.02 0.00 0.00 175.30 178.11 2nwq h GLU 36 N 9.09 0.46 -0.16 3.54 4.81 -1.99 -1.38 114.58 128.95 2nwq h GLU 36 Ca -0.27 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2nwq h GLU 36 Cb 1.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2nwq h GLU 36 CO 1.00 0.33 0.04 0.93 -0.73 0.00 0.00 179.01 180.58 2nwq h GLU 37 N 0.46 0.26 -0.81 1.92 3.07 -1.98 0.26 114.58 117.76 2nwq h GLU 37 Ca 0.13 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.93 2nwq h GLU 37 Cb -0.02 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 2nwq h GLU 37 CO -0.03 0.41 0.53 -0.09 -1.40 0.00 0.00 179.01 178.43 2nwq h ARG 38 N 0.07 1.07 -0.26 2.33 2.43 -1.98 -1.80 114.38 116.25 2nwq h ARG 38 Ca 0.05 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2nwq h ARG 38 Cb 0.26 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2nwq h ARG 38 CO 0.00 0.72 0.01 1.25 -1.51 0.00 0.00 179.97 180.44 2nwq h LEU 39 N 1.10 0.45 -1.02 3.80 5.85 -1.02 -2.70 115.31 121.77 2nwq h LEU 39 Ca 0.30 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2nwq h LEU 39 Cb -0.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2nwq h LEU 39 CO -0.06 0.64 -0.32 1.56 -0.34 0.00 0.00 178.44 179.92 2nwq h GLN 40 N 0.25 0.00 -0.12 1.25 4.20 -0.87 -0.32 115.11 119.50 2nwq h GLN 40 Ca 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2nwq h GLN 40 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2nwq h GLN 40 CO 0.01 0.32 -0.13 0.00 -0.67 0.00 0.00 178.83 178.36 2nwq h ALA 41 N 1.68 0.18 -0.45 3.87 0.00 -1.29 0.33 119.26 123.59 2nwq h ALA 41 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2nwq h ALA 41 Cb 0.83 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2nwq h ALA 41 CO 0.04 0.05 0.23 1.25 0.00 0.00 0.00 179.25 180.82 2nwq h LEU 42 N -0.09 0.57 -0.46 0.00 5.85 -1.37 -1.06 115.31 118.76 2nwq h LEU 42 Ca 0.02 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2nwq h LEU 42 Cb 0.66 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2nwq h LEU 42 CO 0.03 0.52 0.29 0.00 -0.34 0.00 0.00 178.44 178.94 2nwq h ALA 43 N 1.07 0.58 0.09 1.25 0.00 -1.02 -1.54 119.26 119.70 2nwq h ALA 43 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2nwq h ALA 43 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2nwq h ALA 43 CO -0.02 -0.01 -0.13 0.78 0.00 0.00 0.00 179.25 179.87 2nwq h GLY 44 N 0.58 -0.24 0.83 0.00 0.00 -0.10 -1.88 103.07 102.26 2nwq h GLY 44 Ca 0.18 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.68 2nwq h GLY 44 CO -0.06 -0.13 0.23 -2.09 0.00 0.00 0.00 176.54 174.48 2nwq h GLU 45 N -0.27 0.45 0.00 4.80 4.81 -1.07 -2.40 114.58 120.90 2nwq h GLU 45 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2nwq h GLU 45 Cb 0.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2nwq h GLU 45 CO -0.06 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.79 2nwq n LEU 46 N -4.89 0.00 0.29 1.64 4.77 -0.59 -3.23 117.00 114.98 2nwq n LEU 46 Ca 0.02 0.47 0.16 0.00 -0.03 0.00 0.00 56.01 56.63 2nwq n LEU 46 Cb 0.09 -0.47 0.84 0.00 -2.33 0.00 0.00 43.42 41.55 2nwq n LEU 46 CO 0.31 -0.04 1.03 -1.28 -1.33 0.00 0.00 177.39 176.08 2nwq h SER 47 N 0.00 0.00 1.04 -1.43 0.87 -0.79 -1.83 113.55 111.41 2nwq h SER 47 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2nwq h SER 47 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2nwq h SER 47 CO 0.00 0.06 -0.29 0.00 -0.53 0.00 0.00 176.83 176.07 2nwq h ALA 48 N 1.94 0.96 0.00 6.23 0.00 -1.68 -3.32 119.26 123.39 2nwq h ALA 48 Ca -0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.28 2nwq h ALA 48 Cb 0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2nwq h ALA 48 CO 0.01 0.36 -2.35 1.63 0.00 0.00 0.00 179.25 178.90 2nwq n LYS 49 N -3.38 0.68 -3.81 0.00 5.02 -0.85 -5.07 118.16 110.74 2nwq n LYS 49 Ca 0.00 0.05 -0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2nwq n LYS 49 Cb 0.50 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2nwq n LYS 49 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2nwq s THR 50 N -2.51 0.00 0.06 -0.18 -1.32 -0.75 -4.77 115.64 106.17 2nwq s THR 50 Ca -0.16 -0.89 -0.30 0.00 -1.21 0.00 0.00 61.69 59.13 2nwq s THR 50 Cb 0.07 -1.88 -0.05 0.00 -1.51 0.00 0.00 72.50 69.13 2nwq s THR 50 CO 0.78 -0.00 1.08 -0.13 -2.21 0.00 0.00 174.62 174.13 2nwq s ARG 51 N -3.90 4.53 -0.05 7.08 0.52 -1.26 -4.02 118.95 121.84 2nwq s ARG 51 Ca 0.10 1.60 0.01 0.00 -0.52 0.00 0.00 55.73 56.92 2nwq s ARG 51 Cb -0.05 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 32.06 2nwq s ARG 51 CO 0.05 -0.08 -0.05 0.08 0.02 0.00 0.00 175.30 175.31 2nwq s VAL 52 N 0.75 0.59 -0.36 3.52 1.01 -1.26 -0.53 120.40 124.13 2nwq s VAL 52 Ca 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2nwq s VAL 52 Cb -0.26 -0.62 0.09 0.00 0.00 0.00 0.00 36.38 35.60 2nwq s VAL 52 CO 0.30 0.24 0.10 -0.22 0.00 0.00 0.00 175.10 175.52 2nwq s LEU 53 N 1.00 4.72 -0.02 3.92 2.96 0.11 -4.97 118.68 126.40 2nwq s LEU 53 Ca -0.10 -1.85 -0.24 0.00 -0.22 0.00 0.00 54.13 51.72 2nwq s LEU 53 Cb -0.14 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2nwq s LEU 53 CO -0.00 -0.42 0.74 -2.16 -1.32 0.00 0.00 176.35 173.19 2nwq s PRO 54 N 1.11 4.46 -0.18 0.98 0.04 -1.26 -1.48 135.00 138.67 2nwq s PRO 54 Ca 0.05 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.08 2nwq s PRO 54 Cb -0.21 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 30.94 2nwq s PRO 54 CO -0.04 0.15 -0.17 -0.51 0.04 0.00 0.00 177.00 176.47 2nwq s LEU 55 N 0.44 2.08 -0.51 -3.56 1.43 0.49 -4.94 118.68 114.10 2nwq s LEU 55 Ca 0.39 -0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 52.61 2nwq s LEU 55 Cb -0.19 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.71 2nwq s LEU 55 CO 0.21 -0.04 0.78 0.28 0.23 0.00 0.00 176.35 177.80 2nwq s THR 56 N 1.35 4.63 0.10 5.49 -1.32 -1.26 -2.44 115.64 122.19 2nwq s THR 56 Ca 0.04 -0.01 -0.24 0.00 -1.21 0.00 0.00 61.69 60.26 2nwq s THR 56 Cb -0.14 -4.40 0.07 0.00 -1.51 0.00 0.00 72.50 66.52 2nwq s THR 56 CO -0.11 -0.91 0.60 -1.48 -2.21 0.00 0.00 174.62 170.50 2nwq s LEU 57 N 3.29 -0.49 -0.24 9.08 0.05 -0.67 -4.96 118.68 124.74 2nwq s LEU 57 Ca 0.24 0.18 -0.13 0.00 0.05 0.00 0.00 54.13 54.47 2nwq s LEU 57 Cb -0.15 2.49 -0.05 0.00 -2.05 0.00 0.00 46.19 46.44 2nwq s LEU 57 CO 0.17 -0.85 0.25 -0.62 -0.55 0.00 0.00 176.35 174.75 2nwq s ASP 58 N -2.29 6.21 0.60 1.48 3.68 -1.26 -3.41 116.67 121.68 2nwq s ASP 58 Ca -0.02 0.23 0.30 0.00 2.13 0.00 0.00 52.55 55.19 2nwq s ASP 58 Cb -0.01 -2.15 1.81 0.00 -1.45 0.00 0.00 42.92 41.12 2nwq s ASP 58 CO -0.06 -0.01 2.21 -0.37 0.13 0.00 0.00 175.17 177.07 2nwq h VAL 59 N 5.10 0.48 0.00 1.11 -1.51 -1.96 -0.21 116.25 119.25 2nwq h VAL 59 Ca -0.36 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 2nwq h VAL 59 Cb 1.17 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2nwq h VAL 59 CO 0.66 0.00 -0.04 0.03 -1.23 0.00 0.00 177.57 176.99 2nwq h ARG 60 N 0.00 0.00 -5.18 5.19 3.08 -1.90 -3.36 114.38 112.21 2nwq h ARG 60 Ca 0.02 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.41 2nwq h ARG 60 Cb 0.15 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.04 2nwq h ARG 60 CO -0.00 0.04 0.70 0.34 -1.07 0.00 0.00 179.97 179.98 2nwq s ASP 61 N -5.68 6.43 0.22 7.04 3.68 -0.09 -4.87 116.67 123.40 2nwq s ASP 61 Ca -0.01 -1.61 -0.08 0.00 2.13 0.00 0.00 52.55 52.98 2nwq s ASP 61 Cb 0.11 -2.40 0.28 0.00 -1.45 0.00 0.00 42.92 39.45 2nwq s ASP 61 CO 0.53 -1.22 1.81 -0.09 0.13 0.00 0.00 175.17 176.33 2nwq h ARG 62 N 9.15 0.68 -0.26 4.34 2.43 -1.84 -3.01 114.38 125.85 2nwq h ARG 62 Ca -0.03 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2nwq h ARG 62 Cb 1.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2nwq h ARG 62 CO 1.14 0.45 -0.01 0.00 -1.51 0.00 0.00 179.97 180.04 2nwq h ALA 63 N 1.37 0.36 0.00 2.80 0.00 -1.96 0.76 119.26 122.59 2nwq h ALA 63 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2nwq h ALA 63 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nwq h ALA 63 CO -0.20 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2nwq n ALA 64 N -2.36 1.13 0.00 0.00 0.00 -1.14 -1.69 120.51 116.45 2nwq n ALA 64 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2nwq n ALA 64 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2nwq n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nwq n SER 66 N 0.32 0.00 -0.10 0.00 2.88 0.26 -1.02 113.62 115.96 2nwq n SER 66 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2nwq n SER 66 Cb 0.01 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 2nwq n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nwq h ALA 67 N 0.00 0.42 -0.63 -1.46 0.00 -1.58 -2.16 119.26 113.85 2nwq h ALA 67 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2nwq h ALA 67 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2nwq h ALA 67 CO 0.00 0.38 0.33 0.00 0.00 0.00 0.00 179.25 179.96 2nwq h ALA 68 N 0.72 0.81 -0.41 0.00 0.00 -1.34 -1.31 119.26 117.73 2nwq h ALA 68 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2nwq h ALA 68 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2nwq h ALA 68 CO 0.06 0.35 -0.12 0.28 0.00 0.00 0.00 179.25 179.82 2nwq h VAL 69 N 0.87 1.28 0.00 0.00 2.07 -1.81 -2.38 116.25 116.27 2nwq h VAL 69 Ca 0.22 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2nwq h VAL 69 Cb 0.08 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2nwq h VAL 69 CO -0.03 0.41 -0.05 0.44 0.02 0.00 0.00 177.57 178.36 2nwq h ASP 70 N 0.62 0.00 -0.59 0.57 3.45 -1.28 -2.39 116.42 116.81 2nwq h ASP 70 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 2nwq h ASP 70 Cb 0.66 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 2nwq h ASP 70 CO 0.04 0.05 0.00 0.59 -1.57 0.00 0.00 179.24 178.36 2nwq n ASN 71 N -4.20 3.50 -4.76 6.45 3.02 -0.50 -4.96 115.26 113.80 2nwq n ASN 71 Ca -0.03 -2.12 -0.41 0.00 -0.03 0.00 0.00 54.58 52.00 2nwq n ASN 71 Cb 0.14 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 2nwq n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2nwq s LEU 72 N -1.19 4.39 0.79 3.41 1.43 -0.90 -4.97 118.68 121.64 2nwq s LEU 72 Ca 0.41 2.77 -0.13 0.00 -1.03 0.00 0.00 54.13 56.15 2nwq s LEU 72 Cb 0.23 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.88 2nwq s LEU 72 CO 0.25 -0.67 1.19 -2.84 0.23 0.00 0.00 176.35 174.52 2nwq s PRO 73 N -1.41 1.75 0.60 1.29 0.02 -1.26 -4.89 135.00 131.11 2nwq s PRO 73 Ca 0.53 1.69 0.28 0.00 0.02 0.00 0.00 61.00 63.51 2nwq s PRO 73 Cb -0.42 -1.80 1.36 0.00 0.02 0.00 0.00 34.50 33.66 2nwq s PRO 73 CO 0.52 -2.11 1.77 0.93 -0.33 0.00 0.00 177.00 177.78 2nwq h GLU 74 N -0.86 0.00 -0.29 5.54 4.39 -2.01 -0.09 114.58 121.27 2nwq h GLU 74 Ca -0.46 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.32 2nwq h GLU 74 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2nwq h GLU 74 CO 0.47 0.00 0.24 1.49 -1.16 0.00 0.00 179.01 180.05 2nwq h GLU 75 N 0.00 0.00 -0.52 2.33 4.81 -1.96 -1.24 114.58 117.99 2nwq h GLU 75 Ca 0.23 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 2nwq h GLU 75 Cb 1.46 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.75 2nwq h GLU 75 CO -0.00 0.00 0.13 1.19 -0.73 0.00 0.00 179.01 179.60 2nwq n PHE 76 N -4.13 1.71 0.26 0.92 3.01 -0.05 -4.36 117.46 114.82 2nwq n PHE 76 Ca 0.04 -1.25 0.11 0.00 1.01 0.00 0.00 57.45 57.36 2nwq n PHE 76 Cb 0.40 -0.55 0.71 0.00 -0.01 0.00 0.00 39.48 40.03 2nwq n PHE 76 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nwq h ALA 77 N 1.90 1.58 -4.33 4.37 0.00 -1.34 -3.40 119.26 118.04 2nwq h ALA 77 Ca 0.20 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 54.43 2nwq h ALA 77 Cb 1.94 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 19.44 2nwq h ALA 77 CO 0.53 0.11 -0.85 0.95 0.00 0.00 0.00 179.25 179.98 2nwq s THR 78 N -4.58 1.69 -0.20 0.00 -4.23 -1.26 -4.67 115.64 102.39 2nwq s THR 78 Ca -0.04 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2nwq s THR 78 Cb 0.15 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.58 2nwq s THR 78 CO 0.62 0.39 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.72 2nwq s LEU 79 N -0.73 2.44 0.03 4.79 2.96 0.14 -4.83 118.68 123.48 2nwq s LEU 79 Ca 0.08 -0.64 -0.19 0.00 -0.22 0.00 0.00 54.13 53.16 2nwq s LEU 79 Cb -0.08 -1.56 -0.19 0.00 0.50 0.00 0.00 46.19 44.86 2nwq s LEU 79 CO 0.00 -0.02 1.21 -0.09 -1.32 0.00 0.00 176.35 176.13 2nwq h ARG 80 N 7.98 0.46 -4.38 1.98 2.43 -1.62 -3.36 114.38 117.87 2nwq h ARG 80 Ca -0.43 -0.38 -0.30 0.00 -0.81 0.00 0.00 59.98 58.06 2nwq h ARG 80 Cb 1.14 0.08 -0.26 0.00 -0.42 0.00 0.00 29.97 30.51 2nwq h ARG 80 CO 0.62 1.02 -0.75 0.20 -1.51 0.00 0.00 179.97 179.55 2nwq s GLY 81 N -3.89 0.33 -0.08 2.80 0.00 -0.26 -0.27 107.32 105.96 2nwq s GLY 81 Ca -0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 2nwq s GLY 81 CO 0.81 -0.40 -0.04 -2.27 0.00 0.00 0.00 173.10 171.21 2nwq s LEU 82 N -0.61 0.96 -0.36 0.66 2.96 0.01 -1.25 118.68 121.04 2nwq s LEU 82 Ca -0.02 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 2nwq s LEU 82 Cb -0.05 -0.61 0.03 0.00 0.50 0.00 0.00 46.19 46.07 2nwq s LEU 82 CO -0.00 -0.14 0.17 -0.63 -1.32 0.00 0.00 176.35 174.44 2nwq s ILE 83 N 1.67 4.28 -0.89 6.68 1.01 -0.20 -0.42 121.20 133.33 2nwq s ILE 83 Ca 0.02 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 2nwq s ILE 83 Cb -0.13 -3.42 0.10 0.00 0.01 0.00 0.00 42.46 39.02 2nwq s ILE 83 CO -0.05 -0.23 1.17 0.20 0.00 0.00 0.00 174.94 176.02 2nwq s ASN 84 N 1.52 6.49 -0.03 3.58 0.01 -0.31 -2.12 114.94 124.08 2nwq s ASN 84 Ca 0.01 -1.65 0.06 0.00 -0.71 0.00 0.00 52.86 50.57 2nwq s ASN 84 Cb -0.19 -2.45 -0.09 0.00 0.41 0.00 0.00 41.25 38.93 2nwq s ASN 84 CO 0.05 -1.26 0.09 -3.20 -1.51 0.00 0.00 177.10 171.26 2nwq n ASN 85 N 7.39 3.51 -4.75 -1.22 2.85 -1.25 -1.61 115.26 120.18 2nwq n ASN 85 Ca 0.20 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.25 2nwq n ASN 85 Cb 0.49 1.00 -0.02 0.00 1.24 0.00 0.00 39.78 42.49 2nwq n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nwq s ALA 86 N -2.31 3.75 0.00 5.20 0.00 -1.06 -4.87 121.76 122.48 2nwq s ALA 86 Ca -0.03 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2nwq s ALA 86 Cb 0.03 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2nwq s ALA 86 CO 0.26 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2nwq n GLY 87 N 2.24 2.77 3.47 0.00 0.00 -1.26 -4.64 105.19 107.76 2nwq n GLY 87 Ca 0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 2nwq n GLY 87 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2nwq s LEU 88 N 0.00 -0.28 0.12 0.99 2.34 -1.26 -4.94 118.68 115.65 2nwq s LEU 88 Ca 0.00 -0.19 0.07 0.00 0.06 0.00 0.00 54.13 54.07 2nwq s LEU 88 Cb 0.00 2.42 -0.04 0.00 -0.56 0.00 0.00 46.19 48.01 2nwq s LEU 88 CO 0.00 -1.00 -0.10 0.00 -1.06 0.00 0.00 176.35 174.18 2nwq s ALA 89 N -3.80 2.94 -0.24 1.48 0.00 -1.26 -4.91 121.76 115.98 2nwq s ALA 89 Ca 0.04 -1.29 0.13 0.00 0.00 0.00 0.00 51.96 50.84 2nwq s ALA 89 Cb -0.01 -0.86 0.46 0.00 0.00 0.00 0.00 23.12 22.71 2nwq s ALA 89 CO -0.09 0.61 1.18 1.28 0.00 0.00 0.00 175.76 178.74 2nwq n LEU 90 N 0.59 3.30 0.00 0.00 4.77 -1.26 -5.10 117.00 119.30 2nwq n LEU 90 Ca -0.13 -3.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 2nwq n LEU 90 Cb 0.53 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2nwq n LEU 90 CO 0.33 1.55 0.00 0.61 -1.33 0.00 0.00 177.39 178.56 2nwq n GLY 91 N -0.65 3.08 0.69 -0.72 0.00 -1.26 -4.89 105.19 101.45 2nwq n GLY 91 Ca 0.26 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.44 2nwq n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nwq n THR 92 N -1.47 1.96 -1.79 2.61 -2.24 -1.26 -4.86 114.28 107.23 2nwq n THR 92 Ca 0.00 -2.99 -0.41 0.00 -2.27 0.00 0.00 64.05 58.37 2nwq n THR 92 Cb 0.00 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2nwq n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nwq s ASP 93 N -3.10 6.37 0.57 3.42 -1.08 -1.26 -4.24 116.67 117.35 2nwq s ASP 93 Ca 0.37 2.98 -0.20 0.00 -0.52 0.00 0.00 52.55 55.18 2nwq s ASP 93 Cb 0.37 -2.65 -0.05 0.00 -1.46 0.00 0.00 42.92 39.14 2nwq s ASP 93 CO -0.08 -0.90 1.18 -2.65 0.52 0.00 0.00 175.17 173.24 2nwq n PRO 94 N 1.62 1.28 -0.19 4.34 -0.02 -1.26 -4.74 135.00 136.03 2nwq n PRO 94 Ca 0.06 0.48 -0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2nwq n PRO 94 Cb 0.38 -2.38 0.10 0.00 -0.02 0.00 0.00 33.50 31.58 2nwq n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nwq h ALA 95 N 0.94 0.65 0.00 3.55 0.00 -1.94 -1.72 119.26 120.75 2nwq h ALA 95 Ca -0.49 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2nwq h ALA 95 Cb 1.33 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2nwq h ALA 95 CO 0.54 -0.32 0.08 0.00 0.00 0.00 0.00 179.25 179.56 2nwq n GLN 96 N -5.14 0.09 -0.01 0.00 0.00 -1.26 -1.86 117.38 109.20 2nwq n GLN 96 Ca 0.08 0.57 0.01 0.00 0.00 0.00 0.00 57.00 57.65 2nwq n GLN 96 Cb 0.30 -1.88 0.01 0.00 0.00 0.00 0.00 30.24 28.67 2nwq n GLN 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2nwq n SER 97 N -1.98 1.42 -4.80 2.61 3.41 -0.66 -5.07 113.62 108.55 2nwq n SER 97 Ca -0.01 -1.78 -0.32 0.00 -0.26 0.00 0.00 58.87 56.50 2nwq n SER 97 Cb 0.11 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2nwq n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nwq s ASP 99 N -3.13 6.77 0.58 0.00 -1.08 -1.26 -4.97 116.67 113.59 2nwq s ASP 99 Ca 0.62 0.94 0.36 0.00 -0.52 0.00 0.00 52.55 53.95 2nwq s ASP 99 Cb -0.16 -2.39 1.72 0.00 -1.46 0.00 0.00 42.92 40.63 2nwq s ASP 99 CO 0.44 -0.36 2.12 -0.07 0.52 0.00 0.00 175.17 177.82 2nwq h LEU 100 N 8.50 0.00 -0.05 -1.34 3.38 -1.99 -2.01 115.31 121.80 2nwq h LEU 100 Ca -0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2nwq h LEU 100 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2nwq h LEU 100 CO 0.81 0.03 -0.05 0.44 0.09 0.00 0.00 178.44 179.75 2nwq h ASP 101 N 0.00 -0.17 -0.54 -0.43 5.19 -1.99 0.67 116.42 119.15 2nwq h ASP 101 Ca -0.00 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2nwq h ASP 101 Cb 0.33 0.09 -0.06 0.00 0.18 0.00 0.00 39.33 39.86 2nwq h ASP 101 CO 0.00 -0.08 0.18 0.44 -3.12 0.00 0.00 179.24 176.67 2nwq h ASP 102 N -0.07 0.16 -0.63 6.45 3.32 -1.78 -0.30 116.42 123.57 2nwq h ASP 102 Ca 0.04 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2nwq h ASP 102 Cb 0.13 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2nwq h ASP 102 CO -0.10 0.11 0.03 -0.50 -1.72 0.00 0.00 179.24 177.07 2nwq h TRP 103 N 0.35 1.18 -0.01 4.55 4.06 -1.34 -2.86 115.95 121.88 2nwq h TRP 103 Ca 0.27 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 61.02 2nwq h TRP 103 Cb 0.31 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2nwq h TRP 103 CO -0.18 1.02 0.00 -0.44 -3.56 0.00 0.00 178.44 175.29 2nwq h ASP 104 N 1.00 0.00 0.00 -3.49 3.32 -0.59 -2.21 116.42 114.45 2nwq h ASP 104 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2nwq h ASP 104 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2nwq h ASP 104 CO 0.03 0.01 0.00 0.41 -1.72 0.00 0.00 179.24 177.96 2nwq n THR 105 N -5.09 0.00 0.00 0.35 -1.04 -0.15 -1.59 114.28 106.77 2nwq n THR 105 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2nwq n THR 105 Cb 0.03 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2nwq n THR 105 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2nwq n VAL 107 N 0.61 0.00 -0.18 12.58 0.24 -0.83 -1.49 118.33 129.25 2nwq n VAL 107 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2nwq n VAL 107 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 2nwq n VAL 107 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2nwq h ASP 108 N 0.00 0.72 0.09 -1.34 3.32 -1.56 -1.07 116.42 116.59 2nwq h ASP 108 Ca 0.00 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 2nwq h ASP 108 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2nwq h ASP 108 CO 0.00 0.71 -0.04 0.74 -1.72 0.00 0.00 179.24 178.92 2nwq h THR 109 N 0.70 0.00 0.00 0.35 2.02 -1.51 0.32 112.91 114.79 2nwq h THR 109 Ca 0.17 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2nwq h THR 109 Cb 0.22 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2nwq h THR 109 CO -0.01 0.00 -0.20 0.78 0.37 0.00 0.00 175.52 176.46 2nwq h ASN 110 N -0.70 0.00 0.00 4.18 4.21 -1.78 -2.95 115.58 118.54 2nwq h ASN 110 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2nwq h ASN 110 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2nwq h ASN 110 CO 0.02 0.20 0.00 -0.38 -1.29 0.00 0.00 177.43 175.98 2nwq n ILE 111 N -4.07 0.00 -0.18 2.81 5.41 -0.50 -4.50 119.36 118.33 2nwq n ILE 111 Ca -0.02 0.28 -0.06 0.00 1.00 0.00 0.00 62.75 63.95 2nwq n ILE 111 Cb 0.28 -1.25 0.04 0.00 -0.71 0.00 0.00 39.64 37.99 2nwq n ILE 111 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2nwq h LYS 112 N 0.00 0.65 -0.78 0.38 1.57 -1.11 -0.50 116.57 116.78 2nwq h LYS 112 Ca 0.00 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 58.92 2nwq h LYS 112 Cb 0.00 -0.15 -0.14 0.00 0.08 0.00 0.00 32.23 32.03 2nwq h LYS 112 CO 0.00 0.43 0.01 0.78 -0.57 0.00 0.00 179.45 180.10 2nwq h GLY 113 N 0.67 0.88 1.39 3.86 0.00 -0.18 0.32 103.07 110.01 2nwq h GLY 113 Ca 0.21 0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 2nwq h GLY 113 CO -0.08 -0.30 -0.62 -2.00 0.00 0.00 0.00 176.54 173.54 2nwq h LEU 114 N 0.10 0.71 -0.25 3.11 6.46 -1.34 -1.91 115.31 122.18 2nwq h LEU 114 Ca 0.43 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2nwq h LEU 114 Cb 0.76 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2nwq h LEU 114 CO -0.68 1.16 0.17 -0.07 -0.62 0.00 0.00 178.44 178.39 2nwq h LEU 115 N 0.46 0.29 -0.04 2.25 4.07 -0.13 -0.00 115.31 122.21 2nwq h LEU 115 Ca -0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2nwq h LEU 115 Cb 1.20 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2nwq h LEU 115 CO 0.12 0.22 0.00 1.88 -1.08 0.00 0.00 178.44 179.59 2nwq h TYR 116 N 0.34 0.07 -0.48 1.13 0.99 -0.33 -0.82 116.97 117.87 2nwq h TYR 116 Ca 0.09 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.86 2nwq h TYR 116 Cb -0.03 -0.02 -0.08 0.00 1.00 0.00 0.00 36.73 37.61 2nwq h TYR 116 CO -0.06 0.32 -0.46 1.03 -0.00 0.00 0.00 178.16 178.99 2nwq h SER 117 N -0.20 -1.60 0.21 3.88 0.87 -1.34 -1.00 113.55 114.36 2nwq h SER 117 Ca 0.01 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2nwq h SER 117 Cb 0.29 0.67 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2nwq h SER 117 CO 0.00 -0.29 -0.12 0.74 -0.53 0.00 0.00 176.83 176.64 2nwq h THR 118 N -0.23 0.76 -0.22 2.23 2.02 -0.94 -2.66 112.91 113.87 2nwq h THR 118 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2nwq h THR 118 Cb 0.44 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2nwq h THR 118 CO -0.57 0.00 0.11 -0.09 0.37 0.00 0.00 175.52 175.34 2nwq h ARG 119 N -0.31 0.32 -0.07 6.66 9.65 -1.07 -0.59 114.38 128.98 2nwq h ARG 119 Ca -0.02 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 2nwq h ARG 119 Cb 0.25 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2nwq h ARG 119 CO 0.03 0.33 -0.33 -0.07 2.80 0.00 0.00 179.97 182.74 2nwq h LEU 120 N 0.23 0.13 0.00 3.80 3.38 -1.22 -3.15 115.31 118.49 2nwq h LEU 120 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2nwq h LEU 120 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2nwq h LEU 120 CO -0.01 0.45 -1.18 0.18 0.09 0.00 0.00 178.44 177.97 2nwq n LEU 121 N -4.12 0.62 -0.27 1.67 7.99 -1.00 -4.47 117.00 117.41 2nwq n LEU 121 Ca -0.01 0.17 0.03 0.00 -0.01 0.00 0.00 56.01 56.19 2nwq n LEU 121 Cb 0.40 -0.07 0.16 0.00 -0.11 0.00 0.00 43.42 43.80 2nwq n LEU 121 CO 0.40 -0.09 1.10 0.25 -1.51 0.00 0.00 177.39 177.54 2nwq h LEU 122 N 0.00 0.54 -2.25 2.23 5.85 -1.05 0.33 115.31 120.95 2nwq h LEU 122 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2nwq h LEU 122 Cb 0.92 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2nwq h LEU 122 CO 0.00 0.30 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.72 2nwq h PRO 123 N 0.67 0.00 0.14 5.25 0.11 -1.78 0.40 132.00 136.79 2nwq h PRO 123 Ca 0.38 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.21 2nwq h PRO 123 Cb 0.41 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.54 2nwq h PRO 123 CO -0.28 0.02 -1.26 0.00 -0.21 0.00 0.00 178.00 176.27 2nwq h ARG 124 N 0.00 0.36 -0.69 1.05 3.08 -1.23 -1.85 114.38 115.09 2nwq h ARG 124 Ca -0.00 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.40 2nwq h ARG 124 Cb 0.05 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2nwq h ARG 124 CO 0.00 1.26 0.14 -0.07 -1.07 0.00 0.00 179.97 180.23 2nwq h LEU 125 N 0.11 1.08 -0.54 3.04 3.38 -0.82 0.57 115.31 122.12 2nwq h LEU 125 Ca -0.16 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 2nwq h LEU 125 Cb 1.97 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2nwq h LEU 125 CO 0.22 1.05 -0.19 0.40 0.09 0.00 0.00 178.44 180.00 2nwq h ILE 126 N 1.06 1.27 0.00 1.22 2.04 -0.97 -2.11 117.51 120.02 2nwq h ILE 126 Ca 0.21 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 2nwq h ILE 126 Cb 0.41 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2nwq h ILE 126 CO 0.01 0.47 -0.16 0.00 0.00 0.00 0.00 178.15 178.47 2nwq h ALA 127 N 0.93 1.72 -0.15 1.87 0.00 -1.19 -1.57 119.26 120.87 2nwq h ALA 127 Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2nwq h ALA 127 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2nwq h ALA 127 CO 0.06 0.19 -0.19 1.25 0.00 0.00 0.00 179.25 180.57 2nwq h HIS 128 N 0.00 0.48 0.00 0.00 -0.00 -1.11 -3.48 115.15 111.03 2nwq h HIS 128 Ca -0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2nwq h HIS 128 Cb 0.28 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2nwq h HIS 128 CO 0.00 0.81 0.00 0.41 -0.00 0.00 0.00 177.93 179.15 2nwq n GLY 129 N 0.28 1.37 3.70 5.26 0.00 -0.59 -4.87 105.19 110.33 2nwq n GLY 129 Ca -0.06 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2nwq n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq n ALA 130 N 9.64 1.98 0.00 4.61 0.00 -1.25 -1.59 120.51 133.90 2nwq n ALA 130 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2nwq n ALA 130 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2nwq n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 131 N 3.16 1.91 3.74 0.00 0.00 -1.24 -5.02 105.19 107.74 2nwq n GLY 131 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2nwq n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq s ALA 132 N -2.41 2.42 -0.05 4.61 0.00 -0.62 -4.90 121.76 120.80 2nwq s ALA 132 Ca 0.00 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 2nwq s ALA 132 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 2nwq s ALA 132 CO 0.00 -1.42 0.12 -1.12 0.00 0.00 0.00 175.76 173.33 2nwq s SER 133 N -1.60 -0.10 -0.16 0.00 0.01 0.63 -1.38 113.70 111.12 2nwq s SER 133 Ca 0.79 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 2nwq s SER 133 Cb -0.33 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 2nwq s SER 133 CO 0.37 -0.10 -0.08 -0.63 0.41 0.00 0.00 173.24 173.21 2nwq s ILE 134 N 0.67 3.37 -0.18 1.44 1.01 0.51 -0.81 121.20 127.21 2nwq s ILE 134 Ca -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2nwq s ILE 134 Cb -0.07 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.96 2nwq s ILE 134 CO -0.03 0.49 -0.19 -0.69 0.00 0.00 0.00 174.94 174.52 2nwq s VAL 135 N 0.59 2.11 -0.12 2.92 1.01 0.45 -0.61 120.40 126.74 2nwq s VAL 135 Ca -0.05 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 2nwq s VAL 135 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2nwq s VAL 135 CO 0.03 0.54 0.15 0.20 0.00 0.00 0.00 175.10 176.02 2nwq s ASN 136 N 1.30 6.40 -0.58 3.32 0.01 0.98 -1.16 114.94 125.22 2nwq s ASN 136 Ca 0.05 0.49 -0.23 0.00 -0.71 0.00 0.00 52.86 52.46 2nwq s ASN 136 Cb -0.13 -2.08 0.06 0.00 0.41 0.00 0.00 41.25 39.51 2nwq s ASN 136 CO -0.13 0.40 0.88 -0.76 -1.51 0.00 0.00 177.10 175.98 2nwq s LEU 137 N -0.98 4.40 0.00 0.60 1.02 -0.63 -1.38 118.68 121.71 2nwq s LEU 137 Ca 0.15 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.60 2nwq s LEU 137 Cb -0.12 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.48 2nwq s LEU 137 CO 0.04 -1.23 0.00 0.61 0.02 0.00 0.00 176.35 175.79 2nwq n GLY 138 N 5.20 1.48 3.57 -3.19 0.00 0.12 -4.96 105.19 107.41 2nwq n GLY 138 Ca -0.02 -1.72 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 2nwq n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nwq s SER 139 N -1.00 -0.28 0.62 1.61 0.15 -1.25 -4.31 113.70 109.24 2nwq s SER 139 Ca 0.00 -0.08 0.38 0.00 0.70 0.00 0.00 55.95 56.95 2nwq s SER 139 Cb 0.00 0.36 2.10 0.00 -1.71 0.00 0.00 66.02 66.77 2nwq s SER 139 CO 0.00 -0.60 2.29 -0.37 1.20 0.00 0.00 173.24 175.77 2nwq h VAL 140 N 2.00 0.24 0.00 4.45 -1.51 -1.61 -2.45 116.25 117.37 2nwq h VAL 140 Ca -0.21 -0.06 -0.07 0.00 -1.23 0.00 0.00 66.70 65.12 2nwq h VAL 140 Cb 1.23 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 2nwq h VAL 140 CO 0.29 0.01 -0.36 0.00 -1.23 0.00 0.00 177.57 176.28 2nwq h ALA 141 N 1.99 1.18 0.00 5.19 0.00 -1.85 -1.64 119.26 124.14 2nwq h ALA 141 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2nwq h ALA 141 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2nwq h ALA 141 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2nwq n GLY 142 N -0.17 -0.78 0.39 0.00 0.00 -0.92 -4.02 105.19 99.68 2nwq n GLY 142 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2nwq n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nwq n LYS 143 N -1.84 0.00 -3.78 1.61 4.81 -0.88 -4.06 118.16 114.02 2nwq n LYS 143 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.08 2nwq n LYS 143 Cb 0.06 -0.68 -0.13 0.00 0.02 0.00 0.00 35.03 34.30 2nwq n LYS 143 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2nwq s TRP 144 N -1.75 3.11 0.53 5.64 0.52 -0.67 -5.09 118.94 121.23 2nwq s TRP 144 Ca 0.00 -0.85 -0.18 0.00 0.02 0.00 0.00 56.10 55.09 2nwq s TRP 144 Cb 0.00 -2.23 -0.07 0.00 -1.15 0.00 0.00 33.47 30.03 2nwq s TRP 144 CO 0.00 -0.52 1.03 -1.25 0.02 0.00 0.00 176.95 176.23 2nwq s PRO 145 N 1.52 3.65 0.03 4.98 0.05 -1.26 -4.62 135.00 139.36 2nwq s PRO 145 Ca 0.04 1.22 -0.27 0.00 0.05 0.00 0.00 61.00 62.03 2nwq s PRO 145 Cb -0.16 -2.08 0.09 0.00 0.05 0.00 0.00 34.50 32.40 2nwq s PRO 145 CO 0.02 -0.54 0.82 1.52 0.05 0.00 0.00 177.00 178.87 2nwq s TYR 146 N -2.29 -0.40 0.05 0.56 1.13 -1.26 -5.09 117.35 110.04 2nwq s TYR 146 Ca 0.64 0.26 -0.37 0.00 -1.41 0.00 0.00 57.07 56.19 2nwq s TYR 146 Cb -0.15 0.54 -0.17 0.00 -1.10 0.00 0.00 41.96 41.09 2nwq s TYR 146 CO 0.28 -0.62 1.38 -2.30 -2.51 0.00 0.00 175.55 171.79 2nwq n PRO 147 N -0.25 1.13 -0.94 -3.49 -0.02 -1.26 -1.88 135.00 128.30 2nwq n PRO 147 Ca -0.11 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2nwq n PRO 147 Cb 0.62 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2nwq n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nwq n GLY 148 N 2.68 0.75 0.21 -1.23 0.00 -1.26 -4.90 105.19 101.44 2nwq n GLY 148 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2nwq n GLY 148 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2nwq h SER 149 N 0.00 0.66 0.00 1.61 0.87 -1.71 -3.39 113.55 111.59 2nwq h SER 149 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2nwq h SER 149 Cb 0.04 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2nwq h SER 149 CO 0.00 1.10 0.00 0.00 -0.53 0.00 0.00 176.83 177.40 2nwq n HIS 150 N -3.94 0.00 0.04 2.24 1.44 -1.26 -1.57 115.22 112.17 2nwq n HIS 150 Ca -0.04 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.47 2nwq n HIS 150 Cb 0.63 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.62 2nwq n HIS 150 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2nwq h VAL 151 N 0.00 1.36 0.00 0.61 2.07 -1.98 -2.05 116.25 116.27 2nwq h VAL 151 Ca 0.00 -2.28 0.01 0.00 0.82 0.00 0.00 66.70 65.25 2nwq h VAL 151 Cb 0.00 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2nwq h VAL 151 CO 0.00 0.68 -0.07 0.22 0.02 0.00 0.00 177.57 178.42 2nwq h TYR 152 N 0.08 -0.17 -0.61 1.57 3.20 -1.62 0.30 116.97 119.72 2nwq h TYR 152 Ca -0.13 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.76 2nwq h TYR 152 Cb 1.61 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.92 2nwq h TYR 152 CO 0.14 -0.10 0.39 0.78 -1.64 0.00 0.00 178.16 177.72 2nwq h GLY 153 N -0.12 0.86 -0.03 1.82 0.00 -1.48 -1.21 103.07 102.90 2nwq h GLY 153 Ca 0.03 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.14 2nwq h GLY 153 CO -0.07 0.28 -0.22 -1.33 0.00 0.00 0.00 176.54 175.20 2nwq h GLY 154 N 0.79 0.03 1.44 4.60 0.00 -0.82 0.12 103.07 109.24 2nwq h GLY 154 Ca 0.23 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 2nwq h GLY 154 CO -0.07 -0.20 0.31 -0.91 0.00 0.00 0.00 176.54 175.67 2nwq h THR 155 N -0.15 1.16 0.00 4.70 1.35 0.30 -1.45 112.91 118.82 2nwq h THR 155 Ca 0.20 -0.39 -0.12 0.00 -0.55 0.00 0.00 66.41 65.54 2nwq h THR 155 Cb 0.46 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 2nwq h THR 155 CO -0.50 0.18 -0.56 0.11 -0.25 0.00 0.00 175.52 174.49 2nwq h LYS 156 N 0.75 0.00 -0.29 4.72 1.79 -0.54 -1.97 116.57 121.03 2nwq h LYS 156 Ca 0.19 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.51 2nwq h LYS 156 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2nwq h LYS 156 CO -0.03 0.56 -0.44 0.00 -1.08 0.00 0.00 179.45 178.46 2nwq h ALA 157 N 1.44 0.69 -0.09 3.86 0.00 -0.17 -2.23 119.26 122.75 2nwq h ALA 157 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2nwq h ALA 157 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2nwq h ALA 157 CO 0.07 0.67 -0.12 0.35 0.00 0.00 0.00 179.25 180.22 2nwq h PHE 158 N 0.59 -0.30 -0.47 0.00 3.57 -1.01 -2.48 116.94 116.84 2nwq h PHE 158 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2nwq h PHE 158 Cb 0.99 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 2nwq h PHE 158 CO 0.05 -0.18 0.21 0.28 -2.23 0.00 0.00 178.31 176.44 2nwq h VAL 159 N -0.16 0.93 0.06 1.41 2.07 -1.27 0.98 116.25 120.27 2nwq h VAL 159 Ca 0.08 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2nwq h VAL 159 Cb 0.27 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2nwq h VAL 159 CO -0.19 0.08 -0.33 -0.08 0.02 0.00 0.00 177.57 177.07 2nwq h GLU 160 N 0.42 -0.50 -0.42 1.57 4.81 -1.28 -0.75 114.58 118.44 2nwq h GLU 160 Ca 0.21 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 2nwq h GLU 160 Cb 0.15 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2nwq h GLU 160 CO -0.17 -0.33 -0.14 0.37 -0.73 0.00 0.00 179.01 178.01 2nwq h GLN 161 N -0.52 0.84 -0.70 1.92 5.75 -1.04 -2.53 115.11 118.84 2nwq h GLN 161 Ca 0.04 -0.34 0.09 0.00 -0.15 0.00 0.00 58.65 58.29 2nwq h GLN 161 Cb 0.57 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.02 2nwq h GLN 161 CO -0.23 0.97 0.36 0.35 -2.65 0.00 0.00 178.83 177.63 2nwq h PHE 162 N 0.66 0.64 0.20 3.99 3.57 -0.74 -0.27 116.94 124.99 2nwq h PHE 162 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2nwq h PHE 162 Cb 0.68 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2nwq h PHE 162 CO 0.05 0.25 -0.41 0.77 -2.23 0.00 0.00 178.31 176.73 2nwq h SER 163 N 0.62 -1.20 -0.23 0.41 0.02 -0.71 0.11 113.55 112.56 2nwq h SER 163 Ca 0.34 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.46 2nwq h SER 163 Cb 0.34 0.44 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 2nwq h SER 163 CO -0.25 -0.51 0.00 -0.07 -1.14 0.00 0.00 176.83 174.86 2nwq h LEU 164 N -0.70 -0.08 -0.72 5.07 3.38 -1.31 -2.71 115.31 118.23 2nwq h LEU 164 Ca 0.01 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2nwq h LEU 164 Cb 0.69 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2nwq h LEU 164 CO -0.19 -0.01 0.35 0.78 0.09 0.00 0.00 178.44 179.45 2nwq h ASN 165 N 0.08 0.43 -0.56 -0.43 2.35 -0.91 -2.83 115.58 113.71 2nwq h ASN 165 Ca 0.11 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2nwq h ASN 165 Cb 0.14 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 2nwq h ASN 165 CO -0.18 0.23 0.33 0.25 -1.65 0.00 0.00 177.43 176.41 2nwq h LEU 166 N 0.57 0.53 -1.30 1.61 5.85 -0.47 -1.76 115.31 120.34 2nwq h LEU 166 Ca 0.36 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.40 2nwq h LEU 166 Cb 0.42 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.24 2nwq h LEU 166 CO -0.29 0.37 0.69 0.03 -0.34 0.00 0.00 178.44 178.90 2nwq h ARG 167 N 0.65 0.32 0.00 1.25 3.08 -1.32 -0.39 114.38 117.97 2nwq h ARG 167 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2nwq h ARG 167 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2nwq h ARG 167 CO -0.11 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 2nwq n ASP 169 N -1.77 0.91 -1.70 0.00 8.00 -0.17 -4.61 116.55 117.21 2nwq n ASP 169 Ca 0.04 -0.27 0.07 0.00 0.71 0.00 0.00 54.79 55.33 2nwq n ASP 169 Cb 0.22 1.56 0.36 0.00 -0.02 0.00 0.00 41.12 43.24 2nwq n ASP 169 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2nwq n LEU 170 N -1.90 5.09 -4.78 0.64 4.77 -1.11 -4.99 117.00 114.73 2nwq n LEU 170 Ca -0.01 -2.58 -0.41 0.00 -0.03 0.00 0.00 56.01 52.98 2nwq n LEU 170 Cb 0.40 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2nwq n LEU 170 CO 0.36 0.63 1.12 -1.10 -1.33 0.00 0.00 177.39 177.07 2nwq s GLN 171 N -2.42 4.05 0.00 3.23 1.11 -1.26 -2.47 119.66 121.90 2nwq s GLN 171 Ca 0.49 2.54 0.00 0.00 0.01 0.00 0.00 55.36 58.40 2nwq s GLN 171 Cb 0.36 -2.92 0.00 0.00 -1.01 0.00 0.00 33.01 29.44 2nwq s GLN 171 CO 0.16 -0.57 0.00 0.41 0.01 0.00 0.00 175.29 175.30 2nwq n GLY 172 N 0.48 1.12 0.05 3.09 0.00 -1.26 -4.86 105.19 103.80 2nwq n GLY 172 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2nwq n GLY 172 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nwq n THR 173 N -2.00 0.27 0.00 2.61 -2.24 -1.03 -4.98 114.28 106.90 2nwq n THR 173 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2nwq n THR 173 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2nwq n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nwq n GLY 174 N 1.26 2.53 3.70 3.38 0.00 -1.26 -3.97 105.19 110.84 2nwq n GLY 174 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2nwq n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwq s VAL 175 N -2.66 4.28 0.17 1.61 1.01 -1.25 -3.60 120.40 119.95 2nwq s VAL 175 Ca 0.00 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 2nwq s VAL 175 Cb 0.00 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2nwq s VAL 175 CO 0.00 0.09 0.39 -0.13 0.00 0.00 0.00 175.10 175.45 2nwq s ARG 176 N 1.42 3.60 -0.03 2.72 3.00 -0.48 -4.99 118.95 124.19 2nwq s ARG 176 Ca 0.56 -0.14 0.01 0.00 0.00 0.00 0.00 55.73 56.16 2nwq s ARG 176 Cb -0.26 -2.83 0.02 0.00 0.00 0.00 0.00 34.95 31.88 2nwq s ARG 176 CO 0.26 0.43 -0.03 0.08 0.00 0.00 0.00 175.30 176.04 2nwq s VAL 177 N -1.74 0.40 -0.03 3.52 1.01 -1.26 -0.36 120.40 121.93 2nwq s VAL 177 Ca 0.41 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2nwq s VAL 177 Cb -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.84 2nwq s VAL 177 CO 0.26 0.18 -0.08 -0.89 0.00 0.00 0.00 175.10 174.57 2nwq s THR 178 N 0.76 0.75 -0.36 3.92 2.01 0.22 -4.31 115.64 118.63 2nwq s THR 178 Ca -0.09 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2nwq s THR 178 Cb -0.12 -0.69 -0.00 0.00 0.01 0.00 0.00 72.50 71.70 2nwq s THR 178 CO -0.00 0.25 0.24 0.21 -0.69 0.00 0.00 174.62 174.62 2nwq s ASN 179 N 0.36 5.96 -0.15 3.53 2.47 -0.38 -0.01 114.94 126.72 2nwq s ASN 179 Ca -0.06 -0.61 -0.13 0.00 0.42 0.00 0.00 52.86 52.49 2nwq s ASN 179 Cb -0.10 -2.11 -0.05 0.00 -1.45 0.00 0.00 41.25 37.54 2nwq s ASN 179 CO 0.01 -0.30 0.25 -0.22 -3.72 0.00 0.00 177.10 173.13 2nwq s LEU 180 N 1.68 4.27 -0.57 3.21 2.96 -0.48 -1.77 118.68 127.98 2nwq s LEU 180 Ca 0.05 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.48 2nwq s LEU 180 Cb -0.18 -2.30 0.15 0.00 0.50 0.00 0.00 46.19 44.36 2nwq s LEU 180 CO 0.09 0.16 0.37 -1.61 -1.32 0.00 0.00 176.35 174.04 2nwq s GLU 181 N 0.21 1.90 0.51 1.98 2.02 0.02 0.15 118.70 125.49 2nwq s GLU 181 Ca 0.15 -2.75 -0.19 0.00 0.02 0.00 0.00 54.97 52.20 2nwq s GLU 181 Cb -0.13 -2.89 -0.07 0.00 0.10 0.00 0.00 34.13 31.14 2nwq s GLU 181 CO 0.03 -1.24 1.05 -2.14 0.02 0.00 0.00 175.26 172.98 2nwq s PRO 182 N -0.63 3.68 0.00 0.39 0.02 -1.26 -1.70 135.00 135.50 2nwq s PRO 182 Ca 0.23 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2nwq s PRO 182 Cb -0.12 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.33 2nwq s PRO 182 CO -0.10 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 2nwq n GLY 183 N -0.37 1.16 3.68 0.52 0.00 0.18 -2.20 105.19 108.16 2nwq n GLY 183 Ca 0.09 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2nwq n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nwq s LEU 184 N 0.00 4.38 0.37 0.99 2.96 -1.26 -4.94 118.68 121.18 2nwq s LEU 184 Ca 0.00 2.53 0.06 0.00 -0.22 0.00 0.00 54.13 56.50 2nwq s LEU 184 Cb 0.00 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 2nwq s LEU 184 CO 0.00 -0.96 0.02 0.00 -1.32 0.00 0.00 176.35 174.09 2nwq s GLU 186 N -3.77 4.44 3.06 0.00 2.56 -0.34 -4.81 118.70 119.84 2nwq s GLU 186 Ca 0.35 2.02 0.00 0.00 0.00 0.00 0.00 54.97 57.34 2nwq s GLU 186 Cb 0.09 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 33.05 2nwq s GLU 186 CO 0.17 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.16 2nwq n GLY 207 N 1.71 0.26 0.17 -1.50 0.00 -1.26 -5.13 105.19 99.44 2nwq n GLY 207 Ca 0.03 0.67 0.06 0.00 0.00 0.00 0.00 46.02 46.77 2nwq n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwq h ALA 208 N -0.95 0.79 -6.55 4.61 0.00 -2.05 -3.49 119.26 111.63 2nwq h ALA 208 Ca 0.00 -0.33 -0.46 0.00 0.00 0.00 0.00 54.91 54.12 2nwq h ALA 208 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2nwq h ALA 208 CO 0.00 0.45 -0.93 0.72 0.00 0.00 0.00 179.25 179.49 2nwq n HIS 209 N -3.23 -1.90 -1.37 0.00 -0.00 -1.26 -4.44 115.22 103.03 2nwq n HIS 209 Ca 0.02 0.53 -0.29 0.00 -0.00 0.00 0.00 57.72 57.98 2nwq n HIS 209 Cb 0.65 -3.06 0.13 0.00 -0.00 0.00 0.00 29.99 27.70 2nwq n HIS 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2nwq s PRO 210 N -5.79 1.28 0.12 -0.41 0.04 -1.26 -4.78 135.00 124.19 2nwq s PRO 210 Ca 0.27 0.58 -0.35 0.00 0.04 0.00 0.00 61.00 61.54 2nwq s PRO 210 Cb -0.13 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 2nwq s PRO 210 CO 0.90 -2.17 1.50 -0.89 0.04 0.00 0.00 177.00 176.38 2nwq n ILE 211 N -3.80 0.03 -3.62 0.56 5.41 -0.59 -4.67 119.36 112.68 2nwq n ILE 211 Ca 0.06 -0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.49 2nwq n ILE 211 Cb 0.57 -1.27 -0.05 0.00 -0.71 0.00 0.00 39.64 38.18 2nwq n ILE 211 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2nwq s GLN 212 N 0.91 3.66 0.47 0.38 -1.52 -1.26 -1.20 119.66 121.10 2nwq s GLN 212 Ca 0.82 -0.00 0.22 0.00 -1.95 0.00 0.00 55.36 54.45 2nwq s GLN 212 Cb -0.79 -2.82 1.23 0.00 -0.22 0.00 0.00 33.01 30.41 2nwq s GLN 212 CO 0.42 0.45 1.91 -1.35 -0.25 0.00 0.00 175.29 176.46 2nwq h PRO 213 N 2.84 0.22 -0.10 2.91 0.11 -1.94 0.15 132.00 136.20 2nwq h PRO 213 Ca -0.46 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2nwq h PRO 213 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2nwq h PRO 213 CO 0.71 0.15 -0.34 1.05 -0.21 0.00 0.00 178.00 179.36 2nwq h GLU 214 N 0.23 0.21 -0.57 1.05 9.09 -1.94 -1.63 114.58 121.01 2nwq h GLU 214 Ca 0.39 -0.08 -0.02 0.00 0.05 0.00 0.00 59.36 59.70 2nwq h GLU 214 Cb 1.20 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.26 2nwq h GLU 214 CO -0.09 0.53 0.27 -0.44 0.05 0.00 0.00 179.01 179.33 2nwq h ASP 215 N 0.18 0.76 -0.13 3.06 3.45 -1.36 -1.24 116.42 121.14 2nwq h ASP 215 Ca 0.02 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 2nwq h ASP 215 Cb 0.70 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2nwq h ASP 215 CO 0.05 0.68 0.02 0.40 -1.57 0.00 0.00 179.24 178.82 2nwq h ILE 216 N 0.78 1.22 -0.54 0.35 1.08 -1.31 -1.41 117.51 117.67 2nwq h ILE 216 Ca 0.20 -0.69 0.11 0.00 -0.39 0.00 0.00 64.86 64.09 2nwq h ILE 216 Cb 0.13 1.43 -0.10 0.00 -3.07 0.00 0.00 36.82 35.22 2nwq h ILE 216 CO -0.02 0.20 -0.09 0.00 -0.69 0.00 0.00 178.15 177.55 2nwq h ALA 217 N 0.80 0.41 -0.97 1.87 0.00 -1.19 0.31 119.26 120.49 2nwq h ALA 217 Ca 0.04 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2nwq h ALA 217 Cb 0.29 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2nwq h ALA 217 CO 0.00 -0.42 0.64 0.93 0.00 0.00 0.00 179.25 180.40 2nwq h GLU 218 N 0.03 1.29 -0.03 0.00 4.39 -1.13 0.56 114.58 119.69 2nwq h GLU 218 Ca 0.27 -0.08 -0.20 0.00 0.34 0.00 0.00 59.36 59.68 2nwq h GLU 218 Cb 0.41 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2nwq h GLU 218 CO -0.52 0.86 -0.83 0.00 -1.16 0.00 0.00 179.01 177.36 2nwq h THR 219 N 1.32 1.42 -0.50 1.13 1.03 -0.21 -2.13 112.91 114.97 2nwq h THR 219 Ca 0.36 -2.35 -0.13 0.00 -0.01 0.00 0.00 66.41 64.28 2nwq h THR 219 Cb -0.14 2.29 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2nwq h THR 219 CO -0.08 0.70 -0.18 0.40 -0.01 0.00 0.00 175.52 176.36 2nwq h ILE 220 N 0.21 1.27 -0.30 0.00 2.04 -0.80 -1.08 117.51 118.86 2nwq h ILE 220 Ca -0.05 -1.34 0.05 0.00 1.00 0.00 0.00 64.86 64.52 2nwq h ILE 220 Cb 1.43 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 2nwq h ILE 220 CO 0.14 0.47 -0.02 0.15 0.00 0.00 0.00 178.15 178.88 2nwq h PHE 221 N 0.87 -0.06 -0.82 1.37 3.57 -0.85 -2.68 116.94 118.33 2nwq h PHE 221 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2nwq h PHE 221 Cb 0.76 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 2nwq h PHE 221 CO 0.05 -0.08 0.50 2.35 -2.23 0.00 0.00 178.31 178.90 2nwq h TRP 222 N 0.06 1.09 0.00 0.41 7.01 -1.27 -2.22 115.95 121.03 2nwq h TRP 222 Ca 0.14 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.14 2nwq h TRP 222 Cb 0.20 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 2nwq h TRP 222 CO -0.24 0.73 0.00 -0.89 -2.79 0.00 0.00 178.44 175.25 2nwq n ILE 223 N -4.45 0.06 0.00 2.65 5.41 -0.42 -2.61 119.36 120.01 2nwq n ILE 223 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2nwq n ILE 223 Cb 0.06 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 2nwq n ILE 223 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2nwq n ASN 225 N 0.59 0.00 -4.70 4.38 3.02 -0.83 -4.92 115.26 112.80 2nwq n ASN 225 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2nwq n ASN 225 Cb 0.06 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 2nwq n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nwq n GLN 226 N 0.00 2.12 -1.53 3.52 1.13 -1.07 -4.91 117.38 116.64 2nwq n GLN 226 Ca 0.00 0.74 -0.44 0.00 -1.94 0.00 0.00 57.00 55.37 2nwq n GLN 226 Cb 0.00 -2.33 -0.01 0.00 0.11 0.00 0.00 30.24 28.02 2nwq n GLN 226 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2nwq n PRO 227 N 0.62 0.97 -0.13 -1.09 -0.02 -1.26 -4.81 135.00 129.27 2nwq n PRO 227 Ca 0.05 0.34 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 2nwq n PRO 227 Cb 0.36 -1.68 0.61 0.00 -0.02 0.00 0.00 33.50 32.77 2nwq n PRO 227 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nwq h ALA 228 N 1.45 2.42 0.00 3.55 0.00 -1.94 -0.31 119.26 124.44 2nwq h ALA 228 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2nwq h ALA 228 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2nwq h ALA 228 CO 0.57 -0.63 0.00 -2.39 0.00 0.00 0.00 179.25 176.80 2nwq n HIS 229 N -4.41 0.00 -4.45 0.00 1.44 -1.26 -4.55 115.22 102.00 2nwq n HIS 229 Ca 0.15 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.52 2nwq n HIS 229 Cb 0.68 -0.27 -0.11 0.00 0.12 0.00 0.00 29.99 30.42 2nwq n HIS 229 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2nwq s LEU 230 N -2.53 3.34 -0.23 2.39 1.43 -0.13 -5.09 118.68 117.86 2nwq s LEU 230 Ca 0.21 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2nwq s LEU 230 Cb 0.15 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.65 2nwq s LEU 230 CO 0.33 0.29 -0.10 0.21 0.23 0.00 0.00 176.35 177.30 2nwq s ASN 231 N -0.35 3.97 -0.60 2.29 2.47 -1.26 -4.84 114.94 116.61 2nwq s ASN 231 Ca 0.06 -1.17 -0.28 0.00 0.42 0.00 0.00 52.86 51.89 2nwq s ASN 231 Cb -0.12 -1.39 0.03 0.00 -1.45 0.00 0.00 41.25 38.31 2nwq s ASN 231 CO 0.02 -0.17 1.26 -0.63 -3.72 0.00 0.00 177.10 173.86 2nwq s ILE 232 N 1.25 3.92 0.09 -5.21 1.01 -1.26 -4.91 121.20 116.09 2nwq s ILE 232 Ca -0.05 0.78 -0.21 0.00 0.00 0.00 0.00 60.65 61.17 2nwq s ILE 232 Cb -0.18 -4.68 -0.10 0.00 0.01 0.00 0.00 42.46 37.50 2nwq s ILE 232 CO -0.07 -1.37 1.65 0.78 0.00 0.00 0.00 174.94 175.93 2nwq h ASN 233 N 9.98 0.20 -4.82 3.58 2.35 -1.94 -3.34 115.58 121.59 2nwq h ASN 233 Ca -0.26 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.28 2nwq h ASN 233 Cb 1.06 -0.05 -0.20 0.00 0.05 0.00 0.00 38.32 39.18 2nwq h ASN 233 CO 1.20 0.28 -0.00 -0.94 -1.65 0.00 0.00 177.43 176.32 2nwq s SER 234 N -5.50 -0.50 -0.18 5.81 1.04 -1.26 -1.24 113.70 111.87 2nwq s SER 234 Ca -0.14 0.58 -0.04 0.00 0.48 0.00 0.00 55.95 56.83 2nwq s SER 234 Cb 0.07 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.85 2nwq s SER 234 CO 0.70 -0.49 0.29 -0.22 0.98 0.00 0.00 173.24 174.50 2nwq s LEU 235 N -0.99 -0.36 -0.21 2.42 0.20 -0.73 -4.96 118.68 114.06 2nwq s LEU 235 Ca -0.10 0.36 -0.06 0.00 0.69 0.00 0.00 54.13 55.02 2nwq s LEU 235 Cb -0.02 0.78 -0.03 0.00 -0.43 0.00 0.00 46.19 46.49 2nwq s LEU 235 CO 0.07 -0.27 0.03 -0.70 -0.29 0.00 0.00 176.35 175.18 2nwq s GLU 236 N 2.44 3.67 0.32 1.98 2.12 -1.26 -0.80 118.70 127.18 2nwq s GLU 236 Ca 0.05 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 54.93 2nwq s GLU 236 Cb -0.14 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 2nwq s GLU 236 CO -0.11 -0.00 0.03 -1.50 -0.54 0.00 0.00 175.26 173.14 2nwq s ILE 237 N 1.06 1.31 0.28 -3.70 2.07 -0.69 -4.98 121.20 116.56 2nwq s ILE 237 Ca 0.03 -2.02 -0.12 0.00 -1.41 0.00 0.00 60.65 57.13 2nwq s ILE 237 Cb -0.14 -2.73 -0.08 0.00 0.13 0.00 0.00 42.46 39.64 2nwq s ILE 237 CO 0.02 -0.07 0.65 -2.16 -1.91 0.00 0.00 174.94 171.47 2nwq s PRO 239 N -3.85 3.89 0.62 3.50 0.04 -1.26 -0.65 135.00 137.28 2nwq s PRO 239 Ca 0.35 0.46 0.38 0.00 0.04 0.00 0.00 61.00 62.23 2nwq s PRO 239 Cb 0.08 -2.53 2.02 0.00 0.04 0.00 0.00 34.50 34.11 2nwq s PRO 239 CO 0.15 0.22 2.25 -0.24 0.04 0.00 0.00 177.00 179.42 2nwq h VAL 240 N 1.92 0.17 0.00 -0.36 3.04 -1.87 -0.97 116.25 118.18 2nwq h VAL 240 Ca -0.47 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2nwq h VAL 240 Cb 1.17 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2nwq h VAL 240 CO 0.67 0.02 0.00 -1.54 -1.01 0.00 0.00 177.57 175.71 2nwq n SER 241 N -3.29 0.64 -4.47 3.17 3.41 -1.26 -4.71 113.62 107.09 2nwq n SER 241 Ca -0.02 0.67 -0.35 0.00 -0.26 0.00 0.00 58.87 58.91 2nwq n SER 241 Cb 0.13 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.16 2nwq n SER 241 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2nwq s GLN 242 N -3.32 3.66 0.00 4.33 0.74 -0.37 -5.07 119.66 119.63 2nwq s GLN 242 Ca 0.04 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.95 2nwq s GLN 242 Cb 0.09 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 31.13 2nwq s GLN 242 CO 0.37 0.07 0.00 -1.13 -0.55 0.00 0.00 175.29 174.06 2nwq n SER 243 N 4.06 0.04 -4.38 6.67 3.41 -1.26 -4.77 113.62 117.38 2nwq n SER 243 Ca -0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.11 2nwq n SER 243 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 2nwq n SER 243 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2nwq s TRP 244 N 1.16 2.68 -0.85 7.33 0.51 -1.26 -5.02 118.94 123.49 2nwq s TRP 244 Ca 0.00 -0.49 0.26 0.00 -2.12 0.00 0.00 56.10 53.76 2nwq s TRP 244 Cb 0.00 -1.70 0.80 0.00 -0.81 0.00 0.00 33.47 31.76 2nwq s TRP 244 CO 0.00 -0.07 1.67 0.00 -0.51 0.00 0.00 176.95 178.04 2nwq n ALA 245 N 2.93 2.67 0.00 0.98 0.00 -1.26 -5.04 120.51 120.79 2nwq n ALA 245 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2nwq n ALA 245 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2nwq n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwq n GLY 246 N 1.41 0.50 3.86 0.00 0.00 -1.26 -4.95 105.19 104.75 2nwq n GLY 246 Ca 0.06 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 2nwq n GLY 246 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nwq s PHE 247 N 0.00 3.27 -0.08 1.61 0.40 -1.26 -5.12 117.98 116.80 2nwq s PHE 247 Ca 0.00 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 2nwq s PHE 247 Cb 0.00 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 2nwq s PHE 247 CO 0.00 0.51 -0.16 0.00 0.70 0.00 0.00 175.22 176.27 2nwq s ALA 248 N -1.86 2.54 -0.19 5.36 0.00 -1.26 -5.12 121.76 121.23 2nwq s ALA 248 Ca 0.33 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2nwq s ALA 248 Cb -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2nwq s ALA 248 CO 0.26 0.41 -0.12 0.42 0.00 0.00 0.00 175.76 176.74 2nwq s ILE 249 N -0.21 2.83 -0.27 0.00 1.09 -1.26 -5.10 121.20 118.28 2nwq s ILE 249 Ca -0.00 -0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 58.68 2nwq s ILE 249 Cb -0.13 -2.24 -0.02 0.00 -1.06 0.00 0.00 42.46 39.01 2nwq s ILE 249 CO 0.03 0.48 0.54 -2.28 -0.10 0.00 0.00 174.94 173.61 2nwq s HIS 250 N 1.18 3.25 -2.01 3.97 2.46 -1.26 -5.36 115.29 117.52 2nwq s HIS 250 Ca 0.02 0.60 0.16 0.00 0.47 0.00 0.00 55.06 56.31 2nwq s HIS 250 Cb -0.14 -2.78 0.13 0.00 -0.13 0.00 0.00 32.58 29.65 2nwq s HIS 250 CO -0.04 -0.33 1.01 0.54 -2.47 0.00 0.00 174.74 173.44