#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq s LEU 2 N 0.00 2.53 1.18 4.03 2.34 -1.26 -5.16 118.68 122.34 2roq s LEU 2 Ca 0.00 -1.00 -0.19 0.00 0.06 0.00 0.00 54.13 53.01 2roq s LEU 2 Cb 0.00 -0.40 0.28 0.00 -0.56 0.00 0.00 46.19 45.50 2roq s LEU 2 CO 0.00 -0.30 1.11 -2.16 -1.06 0.00 0.00 176.35 173.94 2roq s PRO 3 N -3.66 -1.08 0.24 1.48 0.04 -1.26 -5.08 135.00 125.68 2roq s PRO 3 Ca 0.17 -0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.30 2roq s PRO 3 Cb 0.02 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.90 2roq s PRO 3 CO 0.02 -3.63 -0.18 -1.21 0.04 0.00 0.00 177.00 172.04 2roq s GLU 4 N -5.36 1.50 -0.42 4.56 8.01 -1.26 -5.10 118.70 120.64 2roq s GLU 4 Ca 0.70 -1.65 0.06 0.00 0.01 0.00 0.00 54.97 54.09 2roq s GLU 4 Cb -0.11 -1.50 0.22 0.00 -4.31 0.00 0.00 34.13 28.43 2roq s GLU 4 CO 0.56 0.28 0.46 1.28 0.01 0.00 0.00 175.26 177.85 2roq n LEU 5 N -0.38 0.16 -3.15 1.80 4.32 -1.26 -5.04 117.00 113.45 2roq n LEU 5 Ca -0.07 -4.61 0.05 0.00 -0.02 0.00 0.00 56.01 51.35 2roq n LEU 5 Cb 0.60 0.50 -0.01 0.00 -1.62 0.00 0.00 43.42 42.89 2roq n LEU 5 CO 0.35 1.97 0.34 -1.59 -1.22 0.00 0.00 177.39 177.25 2roq s LYS 6 N -0.75 0.36 -0.29 3.23 -2.85 -1.26 -5.15 119.74 113.02 2roq s LYS 6 Ca 0.34 0.48 -0.17 0.00 -1.00 0.00 0.00 55.97 55.62 2roq s LYS 6 Cb 0.11 0.25 0.18 0.00 -2.06 0.00 0.00 37.83 36.31 2roq s LYS 6 CO -0.14 -0.55 1.16 0.00 0.10 0.00 0.00 175.35 175.91 2roq s ALA 7 N 2.90 -2.50 0.49 0.59 0.00 -1.26 -5.15 121.76 116.83 2roq s ALA 7 Ca 0.15 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2roq s ALA 7 Cb -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2roq s ALA 7 CO -0.21 -0.31 0.00 1.04 0.00 0.00 0.00 175.76 176.28 2roq n GLN 8 N 3.22 -2.91 -2.01 0.00 3.00 -1.26 -4.92 117.38 112.49 2roq n GLN 8 Ca -0.17 2.34 -0.30 0.00 -0.01 0.00 0.00 57.00 58.85 2roq n GLN 8 Cb 0.57 -3.17 0.01 0.00 0.00 0.00 0.00 30.24 27.65 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2roq s ALA 9 N -4.45 3.13 -1.13 -1.58 0.00 -1.26 -4.95 121.76 111.52 2roq s ALA 9 Ca 0.00 -0.21 0.14 0.00 0.00 0.00 0.00 51.96 51.89 2roq s ALA 9 Cb 0.00 -2.98 0.65 0.00 0.00 0.00 0.00 23.12 20.79 2roq s ALA 9 CO 0.00 -0.69 1.44 -0.35 0.00 0.00 0.00 175.76 176.15 2roq n PRO 10 N -2.70 0.06 0.00 0.00 -0.04 -1.26 -4.25 135.00 126.81 2roq n PRO 10 Ca 0.05 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2roq n PRO 10 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.04 -1.73 3.75 0.55 0.00 -1.26 -4.34 105.19 102.12 2roq n GLY 11 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N 0.00 1.78 -0.58 1.61 1.70 -1.26 0.27 118.95 122.47 2roq s ARG 12 Ca 0.00 0.92 -0.02 0.00 -0.47 0.00 0.00 55.73 56.16 2roq s ARG 12 Cb 0.00 -1.86 -0.02 0.00 -0.57 0.00 0.00 34.95 32.50 2roq s ARG 12 CO 0.00 -1.91 0.52 0.00 -1.08 0.00 0.00 175.30 172.84 2roq n ALA 13 N -3.67 -1.96 -2.20 7.88 0.00 -1.26 -4.87 120.51 114.43 2roq n ALA 13 Ca 0.08 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2roq n ALA 13 Cb 0.54 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 2roq n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2roq s PRO 14 N -3.46 4.33 0.00 0.00 0.04 -1.26 -4.80 135.00 129.85 2roq s PRO 14 Ca 0.15 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2roq s PRO 14 Cb -0.02 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2roq s PRO 14 CO 0.48 -0.43 0.00 1.17 0.04 0.00 0.00 177.00 178.26 2roq n LYS 15 N 4.08 0.00 -0.03 4.56 4.81 -1.26 -4.86 118.16 125.45 2roq n LYS 15 Ca 0.11 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.68 2roq n LYS 15 Cb 0.43 0.00 0.52 0.00 0.02 0.00 0.00 35.03 36.00 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roq n ALA 16 N 0.00 2.57 0.00 3.14 0.00 -1.26 -4.95 120.51 120.01 2roq n ALA 16 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2roq n ALA 16 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2roq n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2roq n GLY 17 N 1.12 2.21 0.11 0.00 0.00 -1.26 -4.51 105.19 102.86 2roq n GLY 17 Ca 0.18 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2roq n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2roq h SER 18 N 0.00 0.29 0.71 1.61 0.02 -1.93 -3.36 113.55 110.89 2roq h SER 18 Ca 0.00 -0.53 -0.20 0.00 -0.84 0.00 0.00 61.79 60.22 2roq h SER 18 Cb 0.00 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2roq h SER 18 CO 0.00 1.46 -0.93 1.05 -1.14 0.00 0.00 176.83 177.27 2roq h GLU 19 N 0.05 0.13 0.11 3.45 4.11 -1.88 -3.34 114.58 117.21 2roq h GLU 19 Ca -0.31 -0.16 0.02 0.00 0.07 0.00 0.00 59.36 58.98 2roq h GLU 19 Cb 2.02 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 31.27 2roq h GLU 19 CO 0.12 0.96 -0.44 1.15 0.07 0.00 0.00 179.01 180.87 2roq h THR 20 N 0.06 0.12 -0.61 -1.06 2.02 -1.90 0.31 112.91 111.86 2roq h THR 20 Ca -0.04 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.31 2roq h THR 20 Cb 1.59 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2roq h THR 20 CO 0.14 0.00 0.56 0.16 0.37 0.00 0.00 175.52 176.75 2roq h ILE 21 N -0.67 0.40 -0.02 3.11 3.07 -1.71 -0.07 117.51 121.63 2roq h ILE 21 Ca 0.02 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.42 2roq h ILE 21 Cb 0.70 0.57 -0.00 0.00 -0.27 0.00 0.00 36.82 37.82 2roq h ILE 21 CO -0.26 0.00 -0.02 0.40 -1.05 0.00 0.00 178.15 177.21 2roq h ILE 22 N 0.00 1.41 -0.45 0.16 1.08 -1.08 -2.14 117.51 116.49 2roq h ILE 22 Ca 0.29 -1.24 -0.07 0.00 -0.39 0.00 0.00 64.86 63.45 2roq h ILE 22 Cb 1.41 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 37.34 2roq h ILE 22 CO -0.00 0.33 -0.00 0.00 -0.69 0.00 0.00 178.15 177.78 2roq h ALA 23 N 0.50 1.14 -0.54 1.87 0.00 -0.43 -0.54 119.26 121.26 2roq h ALA 23 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2roq h ALA 23 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2roq h ALA 23 CO 0.01 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.90 2roq h ALA 24 N 1.30 0.72 0.00 0.00 0.00 -1.22 -2.13 119.26 117.92 2roq h ALA 24 Ca 0.14 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2roq h ALA 24 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2roq h ALA 24 CO 0.02 0.46 -0.60 0.00 0.00 0.00 0.00 179.25 179.13 2roq h ALA 25 N 0.99 0.84 -0.12 0.00 0.00 -1.17 -1.22 119.26 118.58 2roq h ALA 25 Ca 0.16 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2roq h ALA 25 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2roq h ALA 25 CO 0.01 0.75 -0.03 0.74 0.00 0.00 0.00 179.25 180.72 2roq h PHE 26 N 0.00 0.25 0.00 0.00 0.04 -0.84 0.84 116.94 117.23 2roq h PHE 26 Ca -0.01 -0.05 -0.20 0.00 2.80 0.00 0.00 57.97 60.51 2roq h PHE 26 Cb 1.18 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 2roq h PHE 26 CO 0.00 0.52 -0.88 1.03 -0.60 0.00 0.00 178.31 178.38 2roq h SER 27 N -0.09 0.24 -0.13 2.17 0.87 -1.43 -0.49 113.55 114.69 2roq h SER 27 Ca 0.03 -0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.22 2roq h SER 27 Cb 0.44 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2roq h SER 27 CO 0.01 1.00 -0.54 0.28 -0.53 0.00 0.00 176.83 177.05 2roq h SER 28 N 0.10 0.80 0.00 6.23 0.02 -1.21 0.23 113.55 119.73 2roq h SER 28 Ca -0.04 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2roq h SER 28 Cb 1.51 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2roq h SER 28 CO 0.13 1.18 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.93 2roq h LEU 29 N 0.55 -0.00 0.00 5.07 3.38 -0.86 -3.29 115.31 120.17 2roq h LEU 29 Ca 0.01 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2roq h LEU 29 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2roq h LEU 29 CO 0.11 0.86 0.00 0.18 0.09 0.00 0.00 178.44 179.68 2roq n LEU 30 N -4.66 0.00 -2.65 1.67 4.77 -0.19 -4.87 117.00 111.07 2roq n LEU 30 Ca -0.07 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 2roq n LEU 30 Cb 0.35 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2roq n LEU 30 CO 0.25 -0.05 -0.13 0.61 -1.33 0.00 0.00 177.39 176.74 2roq n GLY 31 N 0.65 -0.50 0.00 -0.72 0.00 0.75 -4.92 105.19 100.46 2roq n GLY 31 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2roq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roq s ASP 33 N 0.50 5.12 -0.02 0.00 2.15 -1.26 -4.41 116.67 118.75 2roq s ASP 33 Ca 0.00 -1.13 -0.30 0.00 0.43 0.00 0.00 52.55 51.56 2roq s ASP 33 Cb 0.00 -1.81 -0.08 0.00 -0.30 0.00 0.00 42.92 40.73 2roq s ASP 33 CO 0.00 -0.29 2.00 -0.69 -0.17 0.00 0.00 175.17 176.03 2roq s VAL 34 N 1.36 3.05 0.16 1.11 1.01 -1.26 -4.88 120.40 120.95 2roq s VAL 34 Ca -0.02 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2roq s VAL 34 Cb -0.19 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.21 2roq s VAL 34 CO 0.01 -0.01 1.63 -0.61 0.00 0.00 0.00 175.10 176.12 2roq h GLN 35 N 11.45 -0.17 0.00 2.72 4.15 -1.98 -3.47 115.11 127.80 2roq h GLN 35 Ca -0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2roq h GLN 35 Cb 1.23 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2roq h GLN 35 CO 0.95 -0.11 0.00 -0.40 -1.93 0.00 0.00 178.83 177.33 2roq n ASP 36 N -5.38 0.00 0.00 -0.69 5.75 -1.26 -4.85 116.55 110.13 2roq n ASP 36 Ca 0.01 -0.91 0.12 0.00 -0.01 0.00 0.00 54.79 54.00 2roq n ASP 36 Cb 0.29 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 40.97 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roq n ALA 37 N -3.00 2.20 -0.70 2.12 0.00 0.14 -2.58 120.51 118.69 2roq n ALA 37 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2roq n ALA 37 Cb 0.00 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.39 2roq n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2roq n ASP 38 N -1.31 4.55 -4.72 0.00 9.92 -1.26 -0.31 116.55 123.41 2roq n ASP 38 Ca 0.11 -2.61 -0.42 0.00 -0.53 0.00 0.00 54.79 51.34 2roq n ASP 38 Cb 0.20 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.10 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2roq s ALA 39 N -2.12 3.35 -0.14 2.24 0.00 -1.06 -4.82 121.76 119.19 2roq s ALA 39 Ca 0.47 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 2roq s ALA 39 Cb 0.32 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2roq s ALA 39 CO 0.19 -0.31 0.59 -0.51 0.00 0.00 0.00 175.76 175.71 2roq s ASP 40 N 0.60 6.75 0.03 0.00 1.11 -1.26 -2.79 116.67 121.09 2roq s ASP 40 Ca 0.54 0.90 -0.05 0.00 0.18 0.00 0.00 52.55 54.12 2roq s ASP 40 Cb -0.28 -2.34 -0.01 0.00 1.07 0.00 0.00 42.92 41.36 2roq s ASP 40 CO 0.31 -0.15 0.99 0.49 1.18 0.00 0.00 175.17 178.00 2roq n PHE 41 N 4.31 -0.07 -0.18 4.23 3.72 -1.26 0.22 117.46 128.43 2roq n PHE 41 Ca -0.03 0.21 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 2roq n PHE 41 Cb 0.51 -0.47 0.08 0.00 -0.94 0.00 0.00 39.48 38.65 2roq n PHE 41 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2roq h PHE 42 N 0.00 -0.02 -0.72 1.38 0.04 -1.88 0.14 116.94 115.88 2roq h PHE 42 Ca 0.03 0.04 0.14 0.00 2.80 0.00 0.00 57.97 60.98 2roq h PHE 42 Cb 0.07 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.27 2roq h PHE 42 CO -0.86 -0.13 0.48 0.00 -0.60 0.00 0.00 178.31 177.20 2roq h ALA 43 N 1.49 2.15 0.00 2.45 0.00 -1.01 0.17 119.26 124.51 2roq h ALA 43 Ca 0.28 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2roq h ALA 43 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2roq h ALA 43 CO -0.46 -0.34 -0.48 -0.07 0.00 0.00 0.00 179.25 177.90 2roq h LEU 44 N 0.37 0.00 0.00 0.00 3.38 0.26 -3.45 115.31 115.86 2roq h LEU 44 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2roq h LEU 44 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2roq h LEU 44 CO -0.10 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.52 2roq n GLY 45 N 0.20 0.85 0.00 0.83 0.00 0.60 -5.10 105.19 102.58 2roq n GLY 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2roq n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2roq n GLY 46 N 0.00 -0.43 0.00 -0.02 0.00 -1.20 -4.88 105.19 98.65 2roq n GLY 46 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2roq n GLY 46 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2roq n HIS 47 N 0.00 0.00 0.29 1.61 -0.00 -1.26 -4.28 115.22 111.58 2roq n HIS 47 Ca 0.00 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.37 2roq n HIS 47 Cb 0.00 0.00 1.01 0.00 -0.12 0.00 0.00 29.99 30.88 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq h ALA 48 N 0.00 1.00 0.00 1.57 0.00 -1.98 -0.97 119.26 118.88 2roq h ALA 48 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2roq h ALA 48 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2roq h ALA 48 CO 0.00 0.00 -1.31 1.28 0.00 0.00 0.00 179.25 179.22 2roq n LEU 49 N -2.85 1.90 -0.12 0.00 4.32 -1.26 -3.43 117.00 115.55 2roq n LEU 49 Ca -0.02 0.41 -0.04 0.00 -0.02 0.00 0.00 56.01 56.34 2roq n LEU 49 Cb 0.08 -0.82 0.02 0.00 -1.62 0.00 0.00 43.42 41.08 2roq n LEU 49 CO 0.18 -0.03 0.80 -0.07 -1.22 0.00 0.00 177.39 177.05 2roq h LEU 50 N -1.00 -0.32 -1.15 2.23 -0.00 -1.88 0.22 115.31 113.41 2roq h LEU 50 Ca -0.22 0.12 -0.09 0.00 -0.00 0.00 0.00 57.88 57.68 2roq h LEU 50 Cb 1.09 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 2roq h LEU 50 CO -0.14 -0.11 -0.42 0.00 -0.00 0.00 0.00 178.44 177.77 2roq h ALA 51 N 1.40 1.28 -0.06 1.53 0.00 -1.41 -1.72 119.26 120.28 2roq h ALA 51 Ca 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2roq h ALA 51 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2roq h ALA 51 CO -0.40 0.53 -0.04 1.98 0.00 0.00 0.00 179.25 181.32 2roq h MET 52 N 0.00 0.12 0.00 0.00 1.85 -1.07 0.24 114.93 116.07 2roq h MET 52 Ca -0.00 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 58.95 2roq h MET 52 Cb 0.76 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 2roq h MET 52 CO 0.06 0.53 -0.38 -0.22 -0.40 0.00 0.00 176.91 176.49 2roq h LYS 53 N -0.28 0.00 0.01 0.39 1.63 -0.59 -2.19 116.57 115.53 2roq h LYS 53 Ca 0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2roq h LYS 53 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2roq h LYS 53 CO 0.01 0.38 -0.00 1.25 -3.45 0.00 0.00 179.45 177.64 2roq h LEU 54 N 0.00 -0.01 -0.58 5.20 6.46 -1.25 -2.14 115.31 123.00 2roq h LEU 54 Ca -0.00 -0.82 0.08 0.00 -0.12 0.00 0.00 57.88 57.01 2roq h LEU 54 Cb 0.70 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 2roq h LEU 54 CO 0.05 0.86 0.24 0.00 -0.62 0.00 0.00 178.44 178.96 2roq h ALA 55 N -0.01 0.74 -0.07 1.25 0.00 -0.51 -0.09 119.26 120.57 2roq h ALA 55 Ca -0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2roq h ALA 55 Cb 0.83 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2roq h ALA 55 CO 0.00 -0.16 -0.52 0.00 0.00 0.00 0.00 179.25 178.57 2roq h ALA 56 N 1.37 1.00 -0.29 0.00 0.00 -1.51 -2.05 119.26 117.78 2roq h ALA 56 Ca 0.28 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2roq h ALA 56 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2roq h ALA 56 CO -0.26 0.67 0.01 0.37 0.00 0.00 0.00 179.25 180.04 2roq h GLN 57 N 0.14 0.51 -0.11 0.00 4.15 -0.53 -2.14 115.11 117.13 2roq h GLN 57 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2roq h GLN 57 Cb 0.97 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 2roq h GLN 57 CO 0.08 0.65 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.51 2roq h LEU 58 N 0.30 0.23 -2.43 -2.39 3.38 -1.03 0.11 115.31 113.48 2roq h LEU 58 Ca 0.08 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2roq h LEU 58 Cb 0.41 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2roq h LEU 58 CO 0.01 0.59 0.12 0.77 0.09 0.00 0.00 178.44 180.01 2roq h SER 59 N -0.13 0.00 0.35 -0.43 4.64 -1.38 0.41 113.55 117.00 2roq h SER 59 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2roq h SER 59 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2roq h SER 59 CO 0.01 0.00 -1.45 0.54 -0.87 0.00 0.00 176.83 175.07 2roq n ARG 60 N -3.58 0.51 0.01 4.77 5.12 -0.81 -2.27 116.66 120.41 2roq n ARG 60 Ca -0.01 -0.06 0.11 0.00 -1.93 0.00 0.00 57.85 55.96 2roq n ARG 60 Cb 0.21 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2roq n GLN 61 N -2.23 0.22 0.00 5.56 6.02 0.27 -4.19 117.38 123.02 2roq n GLN 61 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2roq n GLN 61 Cb 0.51 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2roq n VAL 62 N -1.83 0.30 -2.76 5.09 0.24 0.12 -4.99 118.33 114.50 2roq n VAL 62 Ca 0.02 -0.54 -0.15 0.00 -2.04 0.00 0.00 64.34 61.64 2roq n VAL 62 Cb 0.41 0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2roq n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 63 N -0.15 -0.89 -3.98 2.33 0.00 -0.96 -4.92 120.51 111.94 2roq n ALA 63 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 2roq n ALA 63 Cb 0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 2roq n ALA 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 64 N -3.10 1.73 -3.28 0.00 3.00 -1.05 -5.03 116.66 108.95 2roq n ARG 64 Ca -0.09 -0.30 -0.46 0.00 -0.00 0.00 0.00 57.85 57.00 2roq n ARG 64 Cb 0.58 0.09 -0.03 0.00 0.00 0.00 0.00 32.46 33.10 2roq n ARG 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2roq s GLN 65 N -2.15 3.31 -0.44 -0.14 -0.21 -1.26 -4.50 119.66 114.27 2roq s GLN 65 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 55.36 53.37 2roq s GLN 65 Cb 0.00 -4.39 0.12 0.00 1.00 0.00 0.00 33.01 29.74 2roq s GLN 65 CO 0.00 -1.36 0.21 0.08 -2.12 0.00 0.00 175.29 172.10 2roq s VAL 66 N 1.11 2.93 0.00 1.09 1.01 -1.26 -4.73 120.40 120.55 2roq s VAL 66 Ca 0.12 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.58 2roq s VAL 66 Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2roq s VAL 66 CO -0.03 -0.71 0.00 0.41 0.00 0.00 0.00 175.10 174.77 2roq n THR 67 N 4.04 0.00 -2.06 3.92 -1.04 -1.26 -3.97 114.28 113.90 2roq n THR 67 Ca 0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.76 2roq n THR 67 Cb 0.39 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.85 2roq n THR 67 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2roq s PRO 68 N 0.00 2.52 0.00 -2.82 0.04 -1.26 -3.49 135.00 129.99 2roq s PRO 68 Ca 0.00 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.30 2roq s PRO 68 Cb 0.00 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.38 2roq s PRO 68 CO 0.00 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 173.76 2roq n GLY 69 N 6.32 0.29 1.27 0.56 0.00 -1.26 -4.83 105.19 107.53 2roq n GLY 69 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.46 2roq n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2roq n GLN 70 N -1.18 2.95 0.10 1.61 3.00 -1.23 -4.57 117.38 118.07 2roq n GLN 70 Ca 0.00 -2.99 0.00 0.00 -0.01 0.00 0.00 57.00 54.00 2roq n GLN 70 Cb 0.21 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.50 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2roq n VAL 71 N -0.53 0.00 -3.24 5.09 0.31 -1.26 -4.34 118.33 114.36 2roq n VAL 71 Ca 0.29 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.24 2roq n VAL 71 Cb 1.06 -0.21 -0.06 0.00 -0.91 0.00 0.00 33.84 33.73 2roq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2roq s MET 72 N -2.00 4.36 0.00 5.55 0.23 -1.26 -3.80 119.30 122.38 2roq s MET 72 Ca 0.00 0.56 0.00 0.00 -1.03 0.00 0.00 55.69 55.22 2roq s MET 72 Cb 0.00 -3.45 0.00 0.00 -1.53 0.00 0.00 34.83 29.85 2roq s MET 72 CO 0.00 0.11 0.00 1.33 -2.03 0.00 0.00 175.02 174.43 2roq n VAL 73 N 3.76 0.00 0.30 5.16 0.24 -1.26 -4.69 118.33 121.85 2roq n VAL 73 Ca -0.05 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 2roq n VAL 73 Cb 0.51 -0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 0.00 -0.77 0.00 2.33 0.00 -1.81 -3.21 119.26 115.81 2roq h ALA 74 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2roq h ALA 74 Cb 0.31 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2roq h ALA 74 CO 0.00 -0.83 0.00 0.43 0.00 0.00 0.00 179.25 178.85 2roq n SER 75 N -5.35 0.00 -1.33 0.00 7.64 -1.26 -4.80 113.62 108.52 2roq n SER 75 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2roq n SER 75 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2roq n THR 76 N 0.00 0.00 0.04 0.44 5.66 -1.26 -4.80 114.28 114.36 2roq n THR 76 Ca 0.00 -0.04 -0.02 0.00 -3.05 0.00 0.00 64.05 60.94 2roq n THR 76 Cb 0.00 0.08 -0.01 0.00 -1.55 0.00 0.00 70.33 68.85 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2roq h VAL 77 N 1.12 0.00 -0.64 1.08 2.07 -1.31 0.48 116.25 119.05 2roq h VAL 77 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2roq h VAL 77 Cb 0.15 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.80 2roq h VAL 77 CO 0.04 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 2roq h ALA 78 N -1.68 0.52 -0.92 1.67 0.00 -1.00 0.15 119.26 118.00 2roq h ALA 78 Ca -0.01 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2roq h ALA 78 Cb 0.10 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2roq h ALA 78 CO -0.00 -0.42 0.61 0.87 0.00 0.00 0.00 179.25 180.31 2roq h LYS 79 N 0.04 1.17 -0.79 0.00 1.79 -1.76 -2.16 116.57 114.87 2roq h LYS 79 Ca 0.32 -0.07 0.15 0.00 -2.18 0.00 0.00 60.65 58.87 2roq h LYS 79 Cb 0.52 -0.26 -0.10 0.00 -1.58 0.00 0.00 32.23 30.80 2roq h LYS 79 CO -0.62 0.78 0.34 1.25 -1.08 0.00 0.00 179.45 180.12 2roq h LEU 80 N 1.21 0.33 -0.36 2.94 7.12 0.29 0.53 115.31 127.38 2roq h LEU 80 Ca 0.35 0.11 -0.00 0.00 0.13 0.00 0.00 57.88 58.47 2roq h LEU 80 Cb -0.07 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2roq h LEU 80 CO -0.09 0.12 -0.02 0.00 -0.13 0.00 0.00 178.44 178.32 2roq h ALA 81 N 1.57 0.99 0.00 1.25 0.00 -1.17 -2.37 119.26 119.53 2roq h ALA 81 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2roq h ALA 81 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 81 CO -0.41 0.02 -0.62 1.15 0.00 0.00 0.00 179.25 179.39 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 0.16 -2.25 112.91 112.84 2roq h THR 82 Ca -0.00 -0.58 -0.17 0.00 0.77 0.00 0.00 66.41 66.43 2roq h THR 82 Cb 0.89 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2roq h THR 82 CO 0.00 0.00 -2.05 2.30 0.37 0.00 0.00 175.52 176.14 2roq n ILE 83 N -2.24 0.72 -0.05 3.11 -5.35 0.15 -1.46 119.36 114.24 2roq n ILE 83 Ca 0.03 -0.67 -0.13 0.00 -0.27 0.00 0.00 62.75 61.71 2roq n ILE 83 Cb 0.46 -0.29 -0.14 0.00 -1.74 0.00 0.00 39.64 37.93 2roq n ILE 83 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2roq n ILE 84 N -2.55 1.58 0.05 7.28 -5.35 -0.90 -3.42 119.36 116.04 2roq n ILE 84 Ca -0.16 -0.75 -0.13 0.00 -0.27 0.00 0.00 62.75 61.44 2roq n ILE 84 Cb 0.84 -1.09 -0.14 0.00 -1.74 0.00 0.00 39.64 37.52 2roq n ILE 84 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2roq h ASP 85 N 0.02 0.22 -0.07 7.28 3.58 -1.61 -3.44 116.42 122.38 2roq h ASP 85 Ca -0.42 -0.30 0.04 0.00 0.42 0.00 0.00 57.03 56.78 2roq h ASP 85 Cb 2.06 -0.07 -0.15 0.00 1.72 0.00 0.00 39.33 42.89 2roq h ASP 85 CO 0.05 1.25 -0.07 0.00 -2.88 0.00 0.00 179.24 177.58 2roq s ALA 86 N -2.64 -4.85 -0.44 -0.78 0.00 -1.19 -5.06 121.76 106.80 2roq s ALA 86 Ca -0.05 0.78 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 2roq s ALA 86 Cb 0.08 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 2roq s ALA 86 CO 0.84 -2.57 2.29 -1.83 0.00 0.00 0.00 175.76 174.49 2roq s GLU 87 N 1.05 2.42 0.00 0.00 -1.05 -0.53 -4.54 118.70 116.05 2roq s GLU 87 Ca 0.22 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 56.51 2roq s GLU 87 Cb 0.14 -4.51 0.00 0.00 -0.44 0.00 0.00 34.13 29.33 2roq s GLU 87 CO -0.12 -2.92 0.80 0.39 0.95 0.00 0.00 175.26 174.36 2roq n GLU 88 N 8.95 0.00 -4.10 -4.83 -0.58 -1.26 -4.94 120.64 113.89 2roq n GLU 88 Ca 0.33 0.46 -0.14 0.00 -0.42 0.00 0.00 57.16 57.39 2roq n GLU 88 Cb 0.52 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 30.04 2roq n GLU 88 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2roq s ASP 89 N -2.32 0.74 0.28 1.62 1.01 -1.26 -5.13 116.67 111.61 2roq s ASP 89 Ca 0.00 -1.41 -0.30 0.00 0.71 0.00 0.00 52.55 51.55 2roq s ASP 89 Cb 0.00 0.62 -0.12 0.00 1.01 0.00 0.00 42.92 44.43 2roq s ASP 89 CO 0.00 -1.21 1.62 -1.20 0.21 0.00 0.00 175.17 174.59 2roq n SER 90 N -1.15 3.90 -4.75 0.27 7.64 -1.26 -4.94 113.62 113.33 2roq n SER 90 Ca 0.01 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2roq n SER 90 Cb 0.62 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2roq n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 91 N 0.20 3.33 0.51 0.44 2.01 -1.26 -4.91 115.64 115.95 2roq s THR 91 Ca 0.66 1.23 0.18 0.00 0.31 0.00 0.00 61.69 64.07 2roq s THR 91 Cb -0.49 -3.78 0.32 0.00 0.01 0.00 0.00 72.50 68.55 2roq s THR 91 CO 0.46 0.25 2.08 -0.09 -0.69 0.00 0.00 174.62 176.62 2roq h ARG 92 N 4.41 0.08 -3.33 4.92 1.12 -1.97 -3.34 114.38 116.26 2roq h ARG 92 Ca -0.46 -0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 57.83 2roq h ARG 92 Cb 1.22 -0.02 -0.40 0.00 -0.01 0.00 0.00 29.97 30.76 2roq h ARG 92 CO 0.70 0.05 -0.76 1.03 -3.11 0.00 0.00 179.97 177.88 2roq s ARG 93 N -5.11 0.67 -0.17 0.20 0.52 -1.26 -5.10 118.95 108.69 2roq s ARG 93 Ca -0.05 -1.08 -0.10 0.00 -0.52 0.00 0.00 55.73 53.97 2roq s ARG 93 Cb 0.18 -1.84 0.06 0.00 0.52 0.00 0.00 34.95 33.86 2roq s ARG 93 CO 0.70 -1.02 0.41 0.00 0.02 0.00 0.00 175.30 175.42 2roq s MET 94 N 1.56 0.41 -1.28 3.54 0.23 -1.26 -4.79 119.30 117.72 2roq s MET 94 Ca 0.11 0.75 -0.12 0.00 -1.03 0.00 0.00 55.69 55.40 2roq s MET 94 Cb -0.18 0.03 0.14 0.00 -1.53 0.00 0.00 34.83 33.29 2roq s MET 94 CO -0.24 -0.14 1.74 0.41 -2.03 0.00 0.00 175.02 174.76 2roq n GLY 95 N 3.99 3.96 0.14 3.16 0.00 -1.21 -4.71 105.19 110.52 2roq n GLY 95 Ca -0.21 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 43.98 2roq n GLY 95 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2roq n PHE 96 N 5.29 0.04 -3.72 1.61 7.35 -1.26 -4.64 117.46 122.13 2roq n PHE 96 Ca 0.41 -0.02 -0.01 0.00 -0.76 0.00 0.00 57.45 57.08 2roq n PHE 96 Cb 0.40 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.23 2roq n PHE 96 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2roq n GLU 97 N -0.56 1.68 0.34 -4.13 2.13 -1.26 -4.99 120.64 113.85 2roq n GLU 97 Ca 0.17 -0.08 0.23 0.00 0.66 0.00 0.00 57.16 58.14 2roq n GLU 97 Cb 0.15 0.01 1.22 0.00 0.27 0.00 0.00 31.44 33.09 2roq n GLU 97 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2roq h THR 98 N 0.71 0.00 -3.40 6.31 1.35 -1.88 -3.40 112.91 112.61 2roq h THR 98 Ca -0.01 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.19 2roq h THR 98 Cb 0.03 0.99 -0.27 0.00 -1.73 0.00 0.00 68.15 67.17 2roq h THR 98 CO 0.01 0.00 -0.78 -0.63 -0.25 0.00 0.00 175.52 173.88 2roq s ILE 99 N -4.15 2.95 -0.03 6.82 -1.09 -1.26 -3.95 121.20 120.48 2roq s ILE 99 Ca -0.05 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2roq s ILE 99 Cb 0.13 -2.22 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2roq s ILE 99 CO 0.41 0.53 -0.06 -1.48 -1.23 0.00 0.00 174.94 173.11 2roq s LEU 100 N 0.24 1.60 -0.38 2.97 0.05 -1.26 -4.47 118.68 117.42 2roq s LEU 100 Ca -0.09 -0.14 -0.28 0.00 0.05 0.00 0.00 54.13 53.67 2roq s LEU 100 Cb -0.16 -0.44 -0.01 0.00 -2.05 0.00 0.00 46.19 43.53 2roq s LEU 100 CO 0.05 0.01 1.72 -2.16 -0.55 0.00 0.00 176.35 175.42 2roq s PRO 101 N 0.49 3.31 0.03 1.48 0.04 -1.26 -4.38 135.00 134.71 2roq s PRO 101 Ca -0.07 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 2roq s PRO 101 Cb -0.10 -4.18 -0.17 0.00 0.04 0.00 0.00 34.50 30.08 2roq s PRO 101 CO 0.00 -1.90 1.44 -0.07 0.04 0.00 0.00 177.00 176.52 2roq h LEU 102 N 13.67 -0.18 -6.67 -3.56 3.38 -1.91 -3.45 115.31 116.59 2roq h LEU 102 Ca -0.31 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.55 2roq h LEU 102 Cb 1.15 0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 2roq h LEU 102 CO 1.07 0.09 -0.18 -0.60 0.09 0.00 0.00 178.44 178.90 2roq s ARG 103 N -5.17 0.57 -0.03 1.13 6.06 -1.21 -4.76 118.95 115.55 2roq s ARG 103 Ca -0.15 1.30 -0.04 0.00 -2.50 0.00 0.00 55.73 54.35 2roq s ARG 103 Cb 0.03 0.76 0.01 0.00 0.06 0.00 0.00 34.95 35.82 2roq s ARG 103 CO 0.62 -0.34 0.10 -1.83 -2.50 0.00 0.00 175.30 171.36 2roq s GLU 104 N 2.88 0.16 0.00 5.12 -1.05 -1.26 -0.98 118.70 123.58 2roq s GLU 104 Ca 0.03 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2roq s GLU 104 Cb -0.13 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 2roq s GLU 104 CO -0.20 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.40 2roq n GLY 105 N 2.84 -0.12 0.07 -3.83 0.00 -1.26 -4.97 105.19 97.92 2roq n GLY 105 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2roq n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roq n ASN 106 N 0.00 0.00 -0.37 1.61 4.13 -1.26 -5.05 115.26 114.32 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2roq n ASN 106 Cb 0.00 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 107 N 3.00 2.40 3.77 7.41 0.00 -1.26 -4.92 105.19 115.60 2roq n GLY 107 Ca 0.00 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 1.92 3.27 -0.05 1.61 0.04 -1.26 -4.15 135.00 136.39 2roq s PRO 108 Ca 0.00 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2roq s PRO 108 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2roq s PRO 108 CO 0.00 -0.91 1.04 0.95 0.04 0.00 0.00 177.00 178.12 2roq s THR 109 N -1.85 4.69 0.02 1.26 -4.23 -1.24 -3.83 115.64 110.46 2roq s THR 109 Ca 0.72 1.95 0.03 0.00 -1.18 0.00 0.00 61.69 63.21 2roq s THR 109 Cb -0.23 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.34 2roq s THR 109 CO 0.29 0.07 -0.10 -1.48 -0.54 0.00 0.00 174.62 172.86 2roq s LEU 110 N 1.59 2.11 0.10 4.79 0.05 -0.15 -4.71 118.68 122.46 2roq s LEU 110 Ca 0.51 -0.33 -0.20 0.00 0.05 0.00 0.00 54.13 54.16 2roq s LEU 110 Cb -0.21 -0.43 -0.07 0.00 -2.05 0.00 0.00 46.19 43.43 2roq s LEU 110 CO 0.23 0.02 0.62 -0.36 -0.55 0.00 0.00 176.35 176.31 2roq s PHE 111 N -0.64 3.82 -0.04 3.48 0.08 -0.92 -2.50 117.98 121.26 2roq s PHE 111 Ca 0.00 1.35 -0.01 0.00 0.12 0.00 0.00 56.93 58.39 2roq s PHE 111 Cb -0.06 -2.55 0.03 0.00 -0.57 0.00 0.00 43.02 39.86 2roq s PHE 111 CO 0.00 0.56 0.01 0.00 -0.10 0.00 0.00 175.22 175.70 2roq s PHE 113 N 1.50 3.39 -0.42 0.00 0.08 0.86 -3.43 117.98 119.96 2roq s PHE 113 Ca -0.03 1.17 0.08 0.00 0.12 0.00 0.00 56.93 58.28 2roq s PHE 113 Cb -0.13 -2.51 0.29 0.00 -0.57 0.00 0.00 43.02 40.11 2roq s PHE 113 CO -0.03 0.08 0.76 1.58 -0.10 0.00 0.00 175.22 177.52 2roq n HIS 114 N -0.47 -1.26 0.00 0.36 -0.00 -1.26 -4.26 115.22 108.33 2roq n HIS 114 Ca 0.03 -3.01 -0.07 0.00 0.46 0.00 0.00 57.72 55.13 2roq n HIS 114 Cb 0.53 0.37 0.10 0.00 -0.12 0.00 0.00 29.99 30.88 2roq n HIS 114 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2roq h PRO 115 N 3.53 0.53 -0.38 1.57 0.13 -1.90 -3.25 132.00 132.24 2roq h PRO 115 Ca 0.00 -0.28 0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2roq h PRO 115 Cb 0.98 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.03 2roq h PRO 115 CO 0.39 0.87 -0.24 0.00 -0.23 0.00 0.00 178.00 178.78 2roq h ALA 116 N 1.10 -0.01 -3.17 -0.56 0.00 -1.94 -3.42 119.26 111.25 2roq h ALA 116 Ca 0.03 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 116 Cb 0.93 0.55 -0.28 0.00 0.00 0.00 0.00 17.79 18.99 2roq h ALA 116 CO 0.08 -0.62 -0.50 -1.12 0.00 0.00 0.00 179.25 177.09 2roq s SER 117 N -5.10 -0.21 -1.13 0.00 0.01 -1.22 -4.77 113.70 101.27 2roq s SER 117 Ca -0.15 0.43 -0.08 0.00 1.31 0.00 0.00 55.95 57.47 2roq s SER 117 Cb 0.14 0.38 -0.07 0.00 0.21 0.00 0.00 66.02 66.68 2roq s SER 117 CO 0.69 -0.11 2.97 0.61 0.41 0.00 0.00 173.24 177.81 2roq n GLY 118 N 3.54 4.20 2.92 3.44 0.00 -1.26 -4.76 105.19 113.27 2roq n GLY 118 Ca -0.19 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 2roq n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2roq s PHE 119 N 0.91 -0.56 -0.37 1.61 0.08 -1.26 -2.29 117.98 116.10 2roq s PHE 119 Ca 0.65 0.75 0.06 0.00 0.12 0.00 0.00 56.93 58.51 2roq s PHE 119 Cb 0.23 -0.08 0.60 0.00 -0.57 0.00 0.00 43.02 43.20 2roq s PHE 119 CO -0.07 -0.57 1.69 0.00 -0.10 0.00 0.00 175.22 176.17 2roq n ALA 120 N 5.35 4.60 0.09 5.36 0.00 -1.26 -4.31 120.51 130.34 2roq n ALA 120 Ca -0.05 -2.13 -0.13 0.00 0.00 0.00 0.00 53.44 51.12 2roq n ALA 120 Cb 0.50 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 2roq n ALA 120 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2roq h TRP 121 N 1.68 0.43 -0.45 0.00 4.06 -1.87 -3.20 115.95 116.60 2roq h TRP 121 Ca 0.35 -0.28 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 2roq h TRP 121 Cb 2.28 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 30.40 2roq h TRP 121 CO 1.19 1.16 0.03 0.00 -3.56 0.00 0.00 178.44 177.26 2roq n GLN 122 N -3.59 3.79 -0.25 0.49 10.64 -1.26 -3.81 117.38 123.39 2roq n GLN 122 Ca -0.06 -2.34 0.06 0.00 -1.83 0.00 0.00 57.00 52.83 2roq n GLN 122 Cb 0.93 -2.06 0.18 0.00 -0.86 0.00 0.00 30.24 28.42 2roq n GLN 122 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2roq n PHE 123 N 0.39 0.62 0.31 2.61 3.01 -1.21 -4.37 117.46 118.82 2roq n PHE 123 Ca 0.22 -0.28 -0.18 0.00 1.01 0.00 0.00 57.45 58.23 2roq n PHE 123 Cb 0.98 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 40.30 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2roq h SER 124 N 2.18 -1.12 -0.58 4.37 4.64 -1.78 0.37 113.55 121.63 2roq h SER 124 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2roq h SER 124 Cb 0.65 0.36 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 2roq h SER 124 CO 0.05 -0.61 0.38 1.62 -0.87 0.00 0.00 176.83 177.39 2roq h VAL 125 N -0.94 1.15 -0.08 0.95 3.04 -1.94 0.35 116.25 118.78 2roq h VAL 125 Ca -0.06 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2roq h VAL 125 Cb 0.80 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2roq h VAL 125 CO -0.00 0.15 0.00 -0.11 -1.01 0.00 0.00 177.57 176.60 2roq n LEU 126 N -4.44 0.81 -0.11 3.16 0.00 -0.97 -1.02 117.00 114.43 2roq n LEU 126 Ca 0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 56.01 55.55 2roq n LEU 126 Cb 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2roq n LEU 126 CO 0.36 0.17 -0.99 -1.20 0.00 0.00 0.00 177.39 175.72 2roq n SER 127 N -0.24 1.93 -0.06 1.96 7.64 0.13 -4.42 113.62 120.55 2roq n SER 127 Ca 0.15 0.33 -0.06 0.00 1.01 0.00 0.00 58.87 60.30 2roq n SER 127 Cb 0.19 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 2roq n SER 127 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2roq n ARG 128 N -4.36 1.81 -0.09 1.43 1.85 -0.89 -4.15 116.66 112.26 2roq n ARG 128 Ca -0.31 -0.01 0.07 0.00 -1.00 0.00 0.00 57.85 56.60 2roq n ARG 128 Cb 0.67 -1.33 0.26 0.00 -1.05 0.00 0.00 32.46 31.01 2roq n ARG 128 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2roq n TYR 129 N -2.46 0.24 -0.10 2.89 4.19 -0.19 -3.81 117.16 117.93 2roq n TYR 129 Ca -0.20 -0.12 -0.15 0.00 3.31 0.00 0.00 57.90 60.74 2roq n TYR 129 Cb 0.90 0.00 -0.09 0.00 0.49 0.00 0.00 39.34 40.64 2roq n TYR 129 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 2roq n LEU 130 N 0.12 2.81 -3.58 2.98 -0.00 -0.52 -4.79 117.00 114.01 2roq n LEU 130 Ca 0.12 -0.06 -0.06 0.00 -0.00 0.00 0.00 56.01 56.01 2roq n LEU 130 Cb 0.23 -0.68 -0.02 0.00 -0.00 0.00 0.00 43.42 42.95 2roq n LEU 130 CO 0.09 0.79 0.79 1.51 -0.00 0.00 0.00 177.39 180.56 2roq s ASP 131 N -6.03 -0.26 0.00 1.45 1.47 -1.25 -4.31 116.67 107.75 2roq s ASP 131 Ca -0.27 -0.10 0.15 0.00 1.18 0.00 0.00 52.55 53.52 2roq s ASP 131 Cb 0.07 0.34 0.88 0.00 -0.34 0.00 0.00 42.92 43.87 2roq s ASP 131 CO 0.44 -0.58 1.37 -0.81 0.68 0.00 0.00 175.17 176.27 2roq n PRO 132 N -0.28 0.40 -2.38 2.11 -0.04 -1.26 -3.87 135.00 129.67 2roq n PRO 132 Ca -0.06 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 2roq n PRO 132 Cb 0.61 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2roq n PRO 132 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2roq n GLN 133 N -1.09 5.10 -0.40 0.54 6.02 -1.26 -3.99 117.38 122.30 2roq n GLN 133 Ca 0.10 -4.18 0.33 0.00 -0.01 0.00 0.00 57.00 53.24 2roq n GLN 133 Cb 0.07 -2.54 0.60 0.00 1.02 0.00 0.00 30.24 29.40 2roq n GLN 133 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2roq h TRP 134 N 4.38 0.65 -0.93 1.08 4.06 -1.72 -3.37 115.95 120.10 2roq h TRP 134 Ca 0.60 0.03 -0.32 0.00 2.06 0.00 0.00 58.89 61.26 2roq h TRP 134 Cb 0.32 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 2roq h TRP 134 CO 1.44 -0.22 1.20 0.43 -3.56 0.00 0.00 178.44 177.73 2roq n SER 135 N -4.84 1.67 -3.82 -3.49 7.64 -1.18 -4.51 113.62 105.09 2roq n SER 135 Ca 0.36 -0.73 -0.11 0.00 1.01 0.00 0.00 58.87 59.39 2roq n SER 135 Cb 1.29 -1.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.94 2roq n SER 135 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2roq s ILE 136 N 11.85 0.09 -0.15 0.44 -4.36 -0.15 -0.98 121.20 127.94 2roq s ILE 136 Ca 1.03 -0.71 -0.03 0.00 -0.26 0.00 0.00 60.65 60.68 2roq s ILE 136 Cb -0.33 -0.73 0.05 0.00 1.25 0.00 0.00 42.46 42.70 2roq s ILE 136 CO 0.26 -0.39 0.03 -0.63 0.24 0.00 0.00 174.94 174.44 2roq s ILE 137 N -1.97 0.37 0.03 8.37 1.01 -1.04 -3.28 121.20 124.68 2roq s ILE 137 Ca -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2roq s ILE 137 Cb -0.04 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2roq s ILE 137 CO -0.00 -0.05 0.17 -0.83 0.00 0.00 0.00 174.94 174.22 2roq s GLY 138 N 1.95 2.15 -0.61 6.18 0.00 -1.26 -3.02 107.32 112.70 2roq s GLY 138 Ca 0.02 -0.83 -0.27 0.00 0.00 0.00 0.00 44.72 43.63 2roq s GLY 138 CO -0.07 -0.77 1.47 -0.42 0.00 0.00 0.00 173.10 173.31 2roq s ILE 139 N -1.40 3.68 -0.23 0.90 -1.09 -1.22 -4.45 121.20 117.40 2roq s ILE 139 Ca 0.30 0.51 -0.06 0.00 -2.23 0.00 0.00 60.65 59.18 2roq s ILE 139 Cb -0.13 -4.45 -0.02 0.00 -1.58 0.00 0.00 42.46 36.28 2roq s ILE 139 CO 0.23 -1.27 0.02 -1.58 -1.23 0.00 0.00 174.94 171.10 2roq s GLN 140 N 5.86 3.59 -0.30 2.79 0.74 -1.25 -4.58 119.66 126.50 2roq s GLN 140 Ca 0.51 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 55.40 2roq s GLN 140 Cb -0.11 -3.18 0.19 0.00 1.10 0.00 0.00 33.01 31.02 2roq s GLN 140 CO 0.22 -0.13 0.62 0.45 -0.55 0.00 0.00 175.29 175.90 2roq s SER 141 N 1.39 -1.38 0.12 6.67 0.15 -0.97 -4.62 113.70 115.06 2roq s SER 141 Ca 0.05 0.75 -0.31 0.00 0.70 0.00 0.00 55.95 57.14 2roq s SER 141 Cb -0.15 2.11 -0.08 0.00 -1.71 0.00 0.00 66.02 66.20 2roq s SER 141 CO 0.01 -0.26 1.36 -2.16 1.20 0.00 0.00 173.24 173.39 2roq s PRO 142 N 2.86 4.34 -0.32 5.44 0.04 -1.24 -4.31 135.00 141.80 2roq s PRO 142 Ca 0.18 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.28 2roq s PRO 142 Cb -0.14 -3.25 0.15 0.00 0.04 0.00 0.00 34.50 31.30 2roq s PRO 142 CO -0.21 -0.39 0.34 0.50 0.04 0.00 0.00 177.00 177.28 2roq s ARG 143 N 0.91 0.46 0.22 4.56 6.06 -1.26 -5.01 118.95 124.89 2roq s ARG 143 Ca 0.63 -0.42 -0.01 0.00 -2.50 0.00 0.00 55.73 53.43 2roq s ARG 143 Cb -0.36 -0.66 0.21 0.00 0.06 0.00 0.00 34.95 34.20 2roq s ARG 143 CO 0.31 -1.10 1.58 -1.00 -2.50 0.00 0.00 175.30 172.60 2roq h PRO 144 N 7.76 0.54 0.00 5.12 0.13 -1.93 -3.42 132.00 140.20 2roq h PRO 144 Ca -0.05 -0.28 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2roq h PRO 144 Cb 1.07 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 2roq h PRO 144 CO 0.27 0.87 0.10 0.27 -0.23 0.00 0.00 178.00 179.29 2roq n ASN 145 N -4.01 -1.04 -4.49 1.44 6.94 -1.26 -4.50 115.26 108.33 2roq n ASN 145 Ca -0.02 -1.63 -0.32 0.00 -0.02 0.00 0.00 54.58 52.59 2roq n ASN 145 Cb 0.53 0.84 0.15 0.00 -2.36 0.00 0.00 39.78 38.95 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2roq n GLY 146 N -0.49 -1.50 0.26 4.83 0.00 -1.26 -4.93 105.19 102.10 2roq n GLY 146 Ca -0.21 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2roq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 147 N -1.83 0.91 -0.01 1.61 0.13 -2.02 -3.14 132.00 127.66 2roq h PRO 147 Ca -0.46 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2roq h PRO 147 Cb 1.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2roq h PRO 147 CO 0.38 1.13 -0.54 -1.33 -0.23 0.00 0.00 178.00 177.41 2roq n MET 148 N -4.09 0.50 0.17 0.86 2.81 -1.26 -4.05 117.12 112.05 2roq n MET 148 Ca -0.03 -0.36 0.12 0.00 -1.81 0.00 0.00 57.70 55.63 2roq n MET 148 Cb 0.54 -1.49 0.59 0.00 -0.71 0.00 0.00 33.22 32.15 2roq n MET 148 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 2roq h GLN 149 N 0.87 0.00 0.85 0.03 -0.00 -1.87 0.42 115.11 115.40 2roq h GLN 149 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2roq h GLN 149 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.05 2roq h GLN 149 CO 0.00 0.00 -0.41 1.79 0.00 0.00 0.00 178.83 180.21 2roq h THR 150 N 0.00 0.00 0.00 2.39 1.35 -1.72 -3.37 112.91 111.57 2roq h THR 150 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2roq h THR 150 Cb 0.15 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2roq h THR 150 CO 0.00 0.00 -0.65 0.00 -0.25 0.00 0.00 175.52 174.62 2roq n ALA 151 N -2.64 1.76 0.51 6.62 0.00 -1.16 -4.70 120.51 120.90 2roq n ALA 151 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 151 Cb 0.45 0.21 0.30 0.00 0.00 0.00 0.00 19.45 20.41 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -1.69 1.66 -0.16 0.00 0.00 0.10 -3.40 120.51 117.02 2roq n ALA 152 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 2roq n ALA 152 Cb 0.32 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.59 2roq n ALA 152 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2roq h ASN 153 N 0.00 -0.63 0.17 0.00 7.08 -0.55 0.30 115.58 121.96 2roq h ASN 153 Ca 0.00 0.17 -0.04 0.00 -3.08 0.00 0.00 56.30 53.35 2roq h ASN 153 Cb 0.20 0.37 -0.01 0.00 -2.08 0.00 0.00 38.32 36.81 2roq h ASN 153 CO 0.00 -0.21 -0.18 -0.07 -2.08 0.00 0.00 177.43 174.88 2roq h LEU 154 N -0.06 0.03 0.31 6.14 3.38 -1.87 -2.10 115.31 121.14 2roq h LEU 154 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2roq h LEU 154 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2roq h LEU 154 CO -0.55 0.22 -0.15 -0.78 0.09 0.00 0.00 178.44 177.27 2roq h ASP 155 N 0.03 -0.36 0.09 -0.43 1.82 -0.77 -2.13 116.42 114.66 2roq h ASP 155 Ca 0.00 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.50 2roq h ASP 155 Cb 0.34 0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.40 2roq h ASP 155 CO 0.02 0.10 -0.36 -0.33 -1.61 0.00 0.00 179.24 177.06 2roq h GLU 156 N -0.95 -0.55 -0.64 0.28 5.08 -0.56 0.53 114.58 117.77 2roq h GLU 156 Ca -0.04 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2roq h GLU 156 Cb 0.51 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2roq h GLU 156 CO 0.07 -0.37 0.43 -0.39 -1.00 0.00 0.00 179.01 177.76 2roq h VAL 157 N -0.57 0.83 0.19 3.13 -1.51 -1.50 -2.00 116.25 114.82 2roq h VAL 157 Ca 0.04 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 2roq h VAL 157 Cb 0.62 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2roq h VAL 157 CO -0.24 0.06 -0.09 0.00 -1.23 0.00 0.00 177.57 176.07 2roq h GLU 159 N -0.70 -0.73 0.06 0.00 4.39 -0.38 0.22 114.58 117.43 2roq h GLU 159 Ca -0.03 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2roq h GLU 159 Cb 0.49 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 2roq h GLU 159 CO 0.04 -0.49 -0.47 0.00 -1.16 0.00 0.00 179.01 176.94 2roq h ALA 160 N -0.47 -0.81 -0.02 3.43 0.00 -1.48 0.18 119.26 120.09 2roq h ALA 160 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2roq h ALA 160 Cb 0.76 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 2roq h ALA 160 CO -0.25 -1.03 -0.48 1.25 0.00 0.00 0.00 179.25 178.74 2roq h HIS 161 N -0.65 -1.38 -0.75 0.00 -0.00 -1.16 -1.50 115.15 109.71 2roq h HIS 161 Ca 0.02 0.05 0.17 0.00 -0.00 0.00 0.00 60.37 60.61 2roq h HIS 161 Cb 0.70 0.61 -0.12 0.00 -0.00 0.00 0.00 27.41 28.60 2roq h HIS 161 CO -0.43 -0.53 0.16 -0.07 -0.00 0.00 0.00 177.93 177.05 2roq h LEU 162 N -0.61 -0.04 -0.23 0.26 -0.00 -0.30 0.37 115.31 114.77 2roq h LEU 162 Ca 0.04 0.16 0.06 0.00 -0.00 0.00 0.00 57.88 58.13 2roq h LEU 162 Cb 0.69 0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.51 2roq h LEU 162 CO -0.35 -0.07 -0.19 0.00 -0.00 0.00 0.00 178.44 177.83 2roq h ALA 163 N 1.64 -0.04 0.00 1.53 0.00 0.04 0.08 119.26 122.50 2roq h ALA 163 Ca 0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2roq h ALA 163 Cb 0.74 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2roq h ALA 163 CO -0.54 -0.61 0.00 1.79 0.00 0.00 0.00 179.25 179.89 2roq h THR 164 N -0.19 0.00 0.44 0.00 1.35 -0.46 -2.13 112.91 111.92 2roq h THR 164 Ca 0.13 -0.58 -0.02 0.00 -0.55 0.00 0.00 66.41 65.39 2roq h THR 164 Cb 0.39 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2roq h THR 164 CO -0.34 0.00 -0.21 -0.07 -0.25 0.00 0.00 175.52 174.65 2roq h LEU 165 N 0.00 -0.50 -0.54 3.87 4.07 0.16 -2.12 115.31 120.25 2roq h LEU 165 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2roq h LEU 165 Cb 0.62 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2roq h LEU 165 CO 0.00 -0.08 0.00 -0.07 -1.08 0.00 0.00 178.44 177.21 2roq h LEU 166 N -1.05 0.00 -0.13 1.67 -0.00 -1.31 0.22 115.31 114.70 2roq h LEU 166 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.61 2roq h LEU 166 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2roq h LEU 166 CO 0.10 0.00 -0.97 -0.33 -0.00 0.00 0.00 178.44 177.24 2roq h GLU 167 N 0.00 0.09 0.00 1.13 5.08 -1.38 -2.44 114.58 117.06 2roq h GLU 167 Ca 0.00 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2roq h GLU 167 Cb 0.58 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2roq h GLU 167 CO 0.00 0.98 -2.00 1.04 -1.00 0.00 0.00 179.01 178.03 2roq n GLN 168 N -3.50 0.75 -2.86 2.33 6.02 -0.80 -4.80 117.38 114.52 2roq n GLN 168 Ca -0.02 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 56.75 2roq n GLN 168 Cb 0.89 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.69 2roq n GLN 168 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2roq n GLN 169 N -2.34 0.59 0.24 -1.09 -0.06 0.75 -4.99 117.38 110.49 2roq n GLN 169 Ca -0.12 -2.16 0.16 0.00 -2.00 0.00 0.00 57.00 52.88 2roq n GLN 169 Cb 0.70 -1.47 0.65 0.00 -4.06 0.00 0.00 30.24 26.06 2roq n GLN 169 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2roq h PRO 170 N 4.66 0.00 -2.24 3.69 0.13 -1.56 -3.38 132.00 133.30 2roq h PRO 170 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2roq h PRO 170 Cb 1.04 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.94 2roq h PRO 170 CO 0.19 0.00 -0.17 -1.58 -0.23 0.00 0.00 178.00 176.21 2roq s HIS 171 N -3.59 -0.99 0.00 1.56 5.65 -1.26 -4.82 115.29 111.83 2roq s HIS 171 Ca 0.02 1.89 0.00 0.00 0.25 0.00 0.00 55.06 57.22 2roq s HIS 171 Cb 0.09 0.54 0.00 0.00 -1.18 0.00 0.00 32.58 32.03 2roq s HIS 171 CO 0.50 -0.52 0.00 0.41 -0.65 0.00 0.00 174.74 174.48 2roq n GLY 172 N 4.85 4.38 3.61 1.59 0.00 -1.26 -5.07 105.19 113.29 2roq n GLY 172 Ca -0.16 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -3.09 3.54 0.11 1.61 0.04 -1.26 -4.65 135.00 131.30 2roq s PRO 173 Ca 0.00 1.43 0.10 0.00 0.04 0.00 0.00 61.00 62.57 2roq s PRO 173 Cb 0.00 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2roq s PRO 173 CO 0.00 -1.61 -0.26 1.52 0.04 0.00 0.00 177.00 176.69 2roq s TYR 174 N 6.05 2.23 0.08 0.56 -0.85 -1.26 -4.73 117.35 119.43 2roq s TYR 174 Ca 0.74 -0.39 -0.10 0.00 -0.52 0.00 0.00 57.07 56.80 2roq s TYR 174 Cb -0.22 -1.24 -0.06 0.00 0.38 0.00 0.00 41.96 40.83 2roq s TYR 174 CO 0.32 0.27 0.40 -0.47 -1.52 0.00 0.00 175.55 174.56 2roq s TYR 175 N -1.01 3.58 0.20 -3.49 5.04 -1.26 -2.73 117.35 117.68 2roq s TYR 175 Ca 0.12 0.78 0.10 0.00 -2.44 0.00 0.00 57.07 55.64 2roq s TYR 175 Cb -0.10 -2.15 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 2roq s TYR 175 CO 0.05 0.51 -0.21 -0.51 -1.34 0.00 0.00 175.55 174.05 2roq s LEU 176 N -1.96 2.47 -0.01 6.97 2.01 -0.24 -2.16 118.68 125.77 2roq s LEU 176 Ca 0.34 -0.90 -0.05 0.00 0.01 0.00 0.00 54.13 53.52 2roq s LEU 176 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 46.19 45.04 2roq s LEU 176 CO 0.18 0.04 0.11 -0.22 1.01 0.00 0.00 176.35 177.47 2roq s LEU 177 N -2.86 1.65 0.01 1.79 0.20 -1.13 -0.09 118.68 118.25 2roq s LEU 177 Ca 0.21 -0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.80 2roq s LEU 177 Cb -0.06 0.52 0.01 0.00 -0.43 0.00 0.00 46.19 46.23 2roq s LEU 177 CO 0.10 -0.26 0.24 -0.83 -0.29 0.00 0.00 176.35 175.30 2roq s GLY 178 N -0.97 -0.06 -0.01 7.98 0.00 -0.42 -0.10 107.32 113.74 2roq s GLY 178 Ca -0.11 0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.66 2roq s GLY 178 CO 0.01 -0.13 0.02 -0.19 0.00 0.00 0.00 173.10 172.80 2roq s TYR 179 N -1.68 -0.00 0.00 1.90 1.51 -1.26 -1.36 117.35 116.46 2roq s TYR 179 Ca -0.12 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 2roq s TYR 179 Cb -0.05 -0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.73 2roq s TYR 179 CO 0.01 -0.04 0.00 0.45 -1.11 0.00 0.00 175.55 174.87 2roq n SER 180 N 3.46 0.00 -0.37 2.29 2.88 -1.22 -1.56 113.62 119.10 2roq n SER 180 Ca -0.17 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.48 2roq n SER 180 Cb 0.57 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.19 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2roq n LEU 181 N 0.00 1.54 0.02 2.46 4.32 -1.26 -4.28 117.00 119.80 2roq n LEU 181 Ca 0.00 -0.52 0.23 0.00 -0.02 0.00 0.00 56.01 55.69 2roq n LEU 181 Cb 0.00 -0.06 0.71 0.00 -1.62 0.00 0.00 43.42 42.45 2roq n LEU 181 CO 0.00 0.29 1.20 1.23 -1.22 0.00 0.00 177.39 178.89 2roq h GLY 182 N 4.89 0.00 0.40 -0.72 0.00 -1.57 -2.04 103.07 104.02 2roq h GLY 182 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2roq h GLY 182 CO 0.00 0.00 -0.32 -1.33 0.00 0.00 0.00 176.54 174.89 2roq h GLY 183 N 0.00 -1.01 1.04 4.60 0.00 -1.86 0.37 103.07 106.20 2roq h GLY 183 Ca 0.26 0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.94 2roq h GLY 183 CO -0.00 -0.33 -0.10 -0.91 0.00 0.00 0.00 176.54 175.20 2roq h THR 184 N -0.69 1.27 0.00 4.70 1.35 -1.79 -2.13 112.91 115.62 2roq h THR 184 Ca -0.05 -1.22 0.02 0.00 -0.55 0.00 0.00 66.41 64.60 2roq h THR 184 Cb 0.58 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2roq h THR 184 CO 0.01 0.42 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.53 2roq h LEU 185 N 0.75 -0.29 -1.34 3.87 -0.00 -1.36 -1.97 115.31 114.96 2roq h LEU 185 Ca 0.12 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 2roq h LEU 185 Cb 0.65 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2roq h LEU 185 CO 0.04 -0.15 0.16 0.00 -0.00 0.00 0.00 178.44 178.49 2roq h ALA 186 N 0.80 1.49 0.35 1.53 0.00 -0.24 -2.09 119.26 121.09 2roq h ALA 186 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 186 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2roq h ALA 186 CO -0.10 0.39 -0.21 0.37 0.00 0.00 0.00 179.25 179.70 2roq h GLN 187 N 0.60 -0.52 0.08 0.00 5.75 -0.73 0.31 115.11 120.59 2roq h GLN 187 Ca 0.15 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2roq h GLN 187 Cb 0.14 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2roq h GLN 187 CO -0.01 -0.35 -0.04 0.78 -2.65 0.00 0.00 178.83 176.56 2roq h GLY 188 N -0.54 -0.11 0.86 2.39 0.00 -1.21 -2.12 103.07 102.35 2roq h GLY 188 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2roq h GLY 188 CO 0.04 -0.04 -0.03 -2.22 0.00 0.00 0.00 176.54 174.29 2roq h ILE 189 N -0.20 0.90 -0.27 2.60 2.04 -1.34 -2.09 117.51 119.14 2roq h ILE 189 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2roq h ILE 189 Cb 0.17 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2roq h ILE 189 CO 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 177.93 2roq h ALA 190 N 0.99 -0.10 -0.46 1.87 0.00 -0.34 0.56 119.26 121.79 2roq h ALA 190 Ca 0.03 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 190 Cb 0.08 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2roq h ALA 190 CO -0.06 -0.66 0.32 0.00 0.00 0.00 0.00 179.25 178.85 2roq h ALA 191 N 0.85 2.13 -0.38 0.00 0.00 -1.19 -0.52 119.26 120.14 2roq h ALA 191 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 191 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2roq h ALA 191 CO -0.41 -0.23 -0.14 -0.09 0.00 0.00 0.00 179.25 178.38 2roq h ARG 192 N 0.23 0.69 0.34 0.00 9.65 -0.20 -2.13 114.38 122.97 2roq h ARG 192 Ca 0.21 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2roq h ARG 192 Cb 0.53 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2roq h ARG 192 CO -0.04 0.81 -0.16 -0.07 2.80 0.00 0.00 179.97 183.30 2roq h LEU 193 N 0.62 -0.39 -1.99 3.80 3.38 -0.41 0.33 115.31 120.66 2roq h LEU 193 Ca 0.10 -0.09 0.23 0.00 0.09 0.00 0.00 57.88 58.21 2roq h LEU 193 Cb 0.60 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2roq h LEU 193 CO 0.04 0.07 0.59 -0.09 0.09 0.00 0.00 178.44 179.13 2roq h ARG 194 N -1.05 0.00 0.00 1.13 2.43 -1.43 0.27 114.38 115.73 2roq h ARG 194 Ca -0.05 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 2roq h ARG 194 Cb 0.46 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2roq h ARG 194 CO 0.08 0.00 -1.51 0.00 -1.51 0.00 0.00 179.97 177.03 2roq n ALA 195 N -2.67 1.82 0.26 2.80 0.00 -0.80 -3.92 120.51 117.99 2roq n ALA 195 Ca 0.16 -0.61 0.13 0.00 0.00 0.00 0.00 53.44 53.12 2roq n ALA 195 Cb 0.88 -0.92 0.65 0.00 0.00 0.00 0.00 19.45 20.06 2roq n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ARG 196 N 0.00 0.00 0.00 0.00 2.47 0.32 -3.46 114.38 113.72 2roq h ARG 196 Ca -0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2roq h ARG 196 Cb 1.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.02 2roq h ARG 196 CO 0.05 0.13 0.00 0.41 0.56 0.00 0.00 179.97 181.12 2roq n GLY 197 N -0.24 1.81 3.57 0.04 0.00 -0.74 -5.06 105.19 104.57 2roq n GLY 197 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2roq n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roq s GLU 198 N -0.01 1.88 -0.16 1.61 0.41 -0.87 -5.03 118.70 116.52 2roq s GLU 198 Ca 0.00 -1.94 0.01 0.00 -0.41 0.00 0.00 54.97 52.63 2roq s GLU 198 Cb 0.00 -1.73 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 2roq s GLU 198 CO 0.00 0.11 -0.17 -1.14 -0.49 0.00 0.00 175.26 173.57 2roq s GLN 199 N -3.64 3.15 -0.04 1.61 0.74 -1.26 -3.74 119.66 116.48 2roq s GLN 199 Ca 0.33 -0.78 -0.27 0.00 0.05 0.00 0.00 55.36 54.69 2roq s GLN 199 Cb 0.03 -2.60 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 2roq s GLN 199 CO 0.17 -0.04 0.87 0.14 -0.55 0.00 0.00 175.29 175.88 2roq s VAL 200 N 0.93 4.94 -0.05 1.34 -7.23 -1.26 -4.03 120.40 115.04 2roq s VAL 200 Ca -0.03 1.80 -0.26 0.00 -1.81 0.00 0.00 61.98 61.67 2roq s VAL 200 Cb -0.15 -4.20 -0.21 0.00 0.56 0.00 0.00 36.38 32.37 2roq s VAL 200 CO -0.03 0.19 1.13 0.00 -0.31 0.00 0.00 175.10 176.08 2roq h ALA 201 N 6.81 -0.02 -1.33 1.32 0.00 -1.80 -3.46 119.26 120.78 2roq h ALA 201 Ca -0.40 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.36 2roq h ALA 201 Cb 1.21 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.70 2roq h ALA 201 CO 0.76 -0.20 0.55 0.12 0.00 0.00 0.00 179.25 180.48 2roq s PHE 202 N -3.75 -0.35 -0.19 0.00 2.19 -1.21 -4.83 117.98 109.84 2roq s PHE 202 Ca -0.16 0.71 -0.02 0.00 0.33 0.00 0.00 56.93 57.78 2roq s PHE 202 Cb 0.01 0.24 -0.00 0.00 -1.31 0.00 0.00 43.02 41.95 2roq s PHE 202 CO 0.67 -0.17 -0.09 -0.51 1.83 0.00 0.00 175.22 176.94 2roq s LEU 203 N 1.09 2.72 -0.11 6.12 1.02 -1.23 -1.07 118.68 127.22 2roq s LEU 203 Ca -0.07 -0.42 -0.05 0.00 0.02 0.00 0.00 54.13 53.61 2roq s LEU 203 Cb -0.03 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 2roq s LEU 203 CO -0.12 0.03 0.08 -0.83 0.02 0.00 0.00 176.35 175.53 2roq s GLY 204 N 1.17 2.02 -0.05 -3.19 0.00 0.87 -0.06 107.32 108.09 2roq s GLY 204 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.03 2roq s GLY 204 CO -0.03 -0.40 -0.03 1.08 0.00 0.00 0.00 173.10 173.72 2roq s LEU 205 N -0.83 1.19 -0.29 0.66 1.02 -0.79 -1.30 118.68 118.34 2roq s LEU 205 Ca 0.13 -0.11 -0.14 0.00 0.02 0.00 0.00 54.13 54.03 2roq s LEU 205 Cb -0.12 -0.43 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 2roq s LEU 205 CO 0.03 -0.08 0.33 -0.76 0.02 0.00 0.00 176.35 175.88 2roq s LEU 206 N 1.11 4.12 0.00 1.79 2.01 -0.46 -1.61 118.68 125.64 2roq s LEU 206 Ca -0.08 0.11 0.00 0.00 0.01 0.00 0.00 54.13 54.17 2roq s LEU 206 Cb -0.14 -2.33 0.00 0.00 0.01 0.00 0.00 46.19 43.73 2roq s LEU 206 CO -0.01 -0.18 0.00 0.47 1.01 0.00 0.00 176.35 177.64 2roq n ASP 207 N 5.28 -2.94 0.00 2.29 8.00 -1.11 -3.40 116.55 124.67 2roq n ASP 207 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2roq n ASP 207 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2roq n ASP 207 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2roq n THR 208 N -0.34 0.00 -1.43 -3.53 -1.04 -1.26 -4.67 114.28 102.00 2roq n THR 208 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 2roq n THR 208 Cb 0.00 -0.12 -0.09 0.00 -1.82 0.00 0.00 70.33 68.30 2roq n THR 208 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2roq n TRP 209 N -2.21 -3.83 -2.10 -1.42 7.02 -1.26 -4.66 117.44 108.98 2roq n TRP 209 Ca 0.00 2.10 -0.43 0.00 -1.02 0.00 0.00 57.50 58.15 2roq n TRP 209 Cb 0.03 -3.49 -0.03 0.00 -2.42 0.00 0.00 31.31 25.40 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 2roq s PRO 210 N -4.12 3.58 0.39 -0.99 0.04 -1.26 -4.96 135.00 127.68 2roq s PRO 210 Ca 0.00 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 2roq s PRO 210 Cb 0.00 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.36 2roq s PRO 210 CO 0.00 -1.55 1.19 -1.25 0.04 0.00 0.00 177.00 175.43 2roq s PRO 211 N 5.10 4.09 0.10 0.56 0.04 -1.26 -4.94 135.00 138.69 2roq s PRO 211 Ca 0.73 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2roq s PRO 211 Cb -0.22 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2roq s PRO 211 CO 0.32 -0.31 0.00 0.39 0.04 0.00 0.00 177.00 177.44 2roq n GLU 212 N 0.19 0.00 0.00 4.56 1.02 -1.26 -4.97 120.64 120.18 2roq n GLU 212 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2roq n GLU 212 Cb 0.46 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 2roq n GLU 212 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2roq n THR 213 N -3.02 0.00 -3.83 2.62 -1.04 -1.26 -4.55 114.28 103.20 2roq n THR 213 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2roq n THR 213 Cb 0.09 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 68.43 2roq n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n GLN 214 N -1.87 0.07 -0.57 -2.82 10.64 -1.26 -4.90 117.38 116.67 2roq n GLN 214 Ca 0.00 -0.40 -0.14 0.00 -1.83 0.00 0.00 57.00 54.62 2roq n GLN 214 Cb 0.00 0.36 0.11 0.00 -0.86 0.00 0.00 30.24 29.85 2roq n GLN 214 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2roq n ASN 215 N -2.43 -1.20 -0.14 2.61 4.05 -1.26 -4.94 115.26 111.95 2roq n ASN 215 Ca 0.01 -0.90 -0.29 0.00 0.45 0.00 0.00 54.58 53.85 2roq n ASN 215 Cb 0.08 -0.47 -0.10 0.00 1.23 0.00 0.00 39.78 40.51 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 2roq n TRP 216 N -3.46 0.03 -0.08 1.20 2.14 -1.26 -4.71 117.44 111.30 2roq n TRP 216 Ca 0.07 0.01 -0.15 0.00 2.07 0.00 0.00 57.50 59.50 2roq n TRP 216 Cb 0.28 -1.00 -0.14 0.00 -0.81 0.00 0.00 31.31 29.64 2roq n TRP 216 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2roq n GLN 217 N -4.15 0.68 -1.82 -2.67 -0.06 -1.26 -4.97 117.38 103.14 2roq n GLN 217 Ca -0.53 0.15 -0.15 0.00 -2.00 0.00 0.00 57.00 54.47 2roq n GLN 217 Cb 0.90 -1.60 -0.04 0.00 -4.06 0.00 0.00 30.24 25.43 2roq n GLN 217 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2roq n GLU 218 N -3.15 -1.61 -3.56 3.69 1.02 -1.26 -2.39 120.64 113.38 2roq n GLU 218 Ca -0.36 0.82 -0.24 0.00 -0.02 0.00 0.00 57.16 57.37 2roq n GLU 218 Cb 1.05 -5.23 0.03 0.00 -0.02 0.00 0.00 31.44 27.27 2roq n GLU 218 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2roq n LYS 219 N -2.33 -1.34 -0.06 3.49 4.81 -1.26 -4.85 118.16 116.61 2roq n LYS 219 Ca -0.16 0.70 0.06 0.00 -0.87 0.00 0.00 58.31 58.04 2roq n LYS 219 Cb 0.55 -4.25 0.27 0.00 0.02 0.00 0.00 35.03 31.62 2roq n LYS 219 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2roq n GLU 220 N -3.50 1.37 -3.21 1.64 -0.58 -1.00 -4.90 120.64 110.45 2roq n GLU 220 Ca -0.11 -0.57 -0.14 0.00 -0.42 0.00 0.00 57.16 55.92 2roq n GLU 220 Cb 0.59 -1.24 0.08 0.00 -0.57 0.00 0.00 31.44 30.30 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2roq n ALA 221 N -0.13 -1.77 0.00 0.62 0.00 -1.26 -4.73 120.51 113.24 2roq n ALA 221 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2roq n ALA 221 Cb 0.17 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2roq n ALA 221 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2roq n ASN 222 N -2.84 0.00 0.12 0.00 5.03 -1.26 -4.96 115.26 111.34 2roq n ASN 222 Ca -0.24 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.24 2roq n ASN 222 Cb 0.64 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.41 2roq n ASN 222 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2roq h GLY 223 N 0.00 0.00 -7.27 7.41 0.00 -1.91 -3.41 103.07 97.89 2roq h GLY 223 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 2roq h GLY 223 CO 0.00 0.00 0.06 1.08 0.00 0.00 0.00 176.54 177.68 2roq s LEU 224 N -6.22 5.86 0.51 3.11 1.43 -1.26 -5.03 118.68 117.08 2roq s LEU 224 Ca 0.02 -1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 51.13 2roq s LEU 224 Cb 0.08 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 2roq s LEU 224 CO 0.76 -0.94 1.03 -1.81 0.23 0.00 0.00 176.35 175.62 2roq s ASP 225 N 3.37 6.27 0.00 2.29 1.11 -1.26 -4.93 116.67 123.52 2roq s ASP 225 Ca 0.11 1.84 0.15 0.00 0.18 0.00 0.00 52.55 54.84 2roq s ASP 225 Cb -0.22 -2.55 0.78 0.00 1.07 0.00 0.00 42.92 42.00 2roq s ASP 225 CO 0.01 -0.83 1.39 -0.81 1.18 0.00 0.00 175.17 176.11 2roq n PRO 226 N -1.29 0.27 0.09 8.23 -0.04 -1.26 -2.68 135.00 138.32 2roq n PRO 226 Ca 0.09 0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.49 2roq n PRO 226 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2roq n PRO 226 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2roq h GLU 227 N 0.00 0.43 0.06 0.54 5.08 -1.99 -2.75 114.58 115.96 2roq h GLU 227 Ca 0.00 -0.57 -0.25 0.00 -1.00 0.00 0.00 59.36 57.54 2roq h GLU 227 Cb 0.11 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2roq h GLU 227 CO 0.00 1.23 -1.21 -0.24 -1.00 0.00 0.00 179.01 177.79 2roq h VAL 228 N 0.20 1.50 -0.47 3.13 3.04 -1.91 -2.83 116.25 118.92 2roq h VAL 228 Ca -0.13 -3.16 -0.14 0.00 -1.01 0.00 0.00 66.70 62.26 2roq h VAL 228 Cb 1.80 2.84 -0.01 0.00 -2.01 0.00 0.00 31.29 33.91 2roq h VAL 228 CO 0.20 0.89 -0.25 -0.07 -1.01 0.00 0.00 177.57 177.34 2roq h LEU 229 N 0.04 1.02 -0.54 3.16 3.38 -1.64 -2.11 115.31 118.62 2roq h LEU 229 Ca -0.11 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 2roq h LEU 229 Cb 1.89 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 2roq h LEU 229 CO 0.16 1.20 -0.72 0.00 0.09 0.00 0.00 178.44 179.17 2roq h ALA 230 N 0.86 0.78 -0.16 1.53 0.00 -1.58 -2.04 119.26 118.65 2roq h ALA 230 Ca 0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2roq h ALA 230 Cb 0.83 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2roq h ALA 230 CO 0.07 0.87 -0.08 0.93 0.00 0.00 0.00 179.25 181.04 2roq h GLU 231 N 0.04 0.34 -0.26 0.00 4.39 -1.37 0.18 114.58 117.90 2roq h GLU 231 Ca -0.01 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.39 2roq h GLU 231 Cb 1.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2roq h GLU 231 CO 0.10 0.66 -0.43 -0.84 -1.16 0.00 0.00 179.01 177.34 2roq h ILE 232 N 0.02 1.30 -0.05 3.13 3.07 -1.42 -2.10 117.51 121.45 2roq h ILE 232 Ca 0.04 -1.62 -0.04 0.00 1.55 0.00 0.00 64.86 64.79 2roq h ILE 232 Cb 0.56 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2roq h ILE 232 CO 0.02 0.52 -0.11 -1.13 -1.05 0.00 0.00 178.15 176.40 2roq h ASN 233 N 0.52 0.19 -0.93 2.16 -1.24 -1.35 -2.13 115.58 112.80 2roq h ASN 233 Ca 0.04 -0.57 0.03 0.00 0.71 0.00 0.00 56.30 56.51 2roq h ASN 233 Cb 0.97 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.91 2roq h ASN 233 CO 0.09 0.72 0.61 0.03 -1.29 0.00 0.00 177.43 177.59 2roq h ARG 234 N -0.34 1.16 -0.44 6.67 2.47 -0.67 -0.23 114.38 123.00 2roq h ARG 234 Ca 0.00 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.54 2roq h ARG 234 Cb 0.69 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2roq h ARG 234 CO 0.02 0.77 -0.15 0.93 0.56 0.00 0.00 179.97 182.10 2roq h GLU 235 N 1.20 0.88 -0.50 0.04 4.39 -1.39 -0.62 114.58 118.58 2roq h GLU 235 Ca 0.36 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2roq h GLU 235 Cb -0.04 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2roq h GLU 235 CO -0.10 1.00 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.61 2roq h ARG 236 N 0.71 0.88 0.00 2.33 9.65 -0.81 -1.98 114.38 125.16 2roq h ARG 236 Ca 0.11 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2roq h ARG 236 Cb 0.71 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2roq h ARG 236 CO 0.05 0.91 -0.04 -1.91 2.80 0.00 0.00 179.97 181.78 2roq n GLU 237 N -4.18 0.06 0.07 0.20 2.13 -0.15 -1.90 120.64 116.87 2roq n GLU 237 Ca 0.02 0.05 0.08 0.00 0.66 0.00 0.00 57.16 57.97 2roq n GLU 237 Cb 0.35 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 30.45 2roq n GLU 237 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2roq n ALA 238 N -1.57 2.40 -0.12 4.31 0.00 -0.25 -3.46 120.51 121.83 2roq n ALA 238 Ca 0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 2roq n ALA 238 Cb 0.36 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 2roq n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roq n PHE 239 N -2.68 0.23 -0.13 0.00 -0.00 -0.80 -4.14 117.46 109.94 2roq n PHE 239 Ca -0.03 0.10 -0.06 0.00 -0.00 0.00 0.00 57.45 57.46 2roq n PHE 239 Cb 0.63 -0.86 0.03 0.00 -0.00 0.00 0.00 39.48 39.27 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2roq h LEU 240 N -1.00 0.29 0.00 -2.13 7.12 -1.60 -2.97 115.31 115.02 2roq h LEU 240 Ca -0.40 0.02 0.02 0.00 0.13 0.00 0.00 57.88 57.65 2roq h LEU 240 Cb 1.31 -0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 41.35 2roq h LEU 240 CO -0.24 0.21 -0.50 0.00 -0.13 0.00 0.00 178.44 177.77 2roq h ALA 241 N 1.22 -0.87 -1.97 1.25 0.00 -1.76 -3.46 119.26 113.68 2roq h ALA 241 Ca 0.18 -0.07 -0.40 0.00 0.00 0.00 0.00 54.91 54.61 2roq h ALA 241 Cb 0.09 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2roq h ALA 241 CO -0.13 -1.07 -0.45 0.00 0.00 0.00 0.00 179.25 177.60 2roq n ALA 242 N -2.95 -0.46 -3.07 0.00 0.00 -1.13 -2.50 120.51 110.41 2roq n ALA 242 Ca -0.07 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 2roq n ALA 242 Cb 0.39 -2.07 0.07 0.00 0.00 0.00 0.00 19.45 17.84 2roq n ALA 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2roq n GLN 243 N -2.69 -3.79 -4.45 0.00 6.02 -1.26 -5.04 117.38 106.17 2roq n GLN 243 Ca -0.22 0.71 -0.25 0.00 -0.01 0.00 0.00 57.00 57.23 2roq n GLN 243 Cb 0.67 -5.18 -0.10 0.00 1.02 0.00 0.00 30.24 26.65 2roq n GLN 243 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2roq s GLN 244 N -4.67 1.91 0.00 -1.09 -1.52 -1.04 -5.05 119.66 108.20 2roq s GLN 244 Ca 0.18 -1.82 0.00 0.00 -1.95 0.00 0.00 55.36 51.76 2roq s GLN 244 Cb -0.02 -1.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.96 2roq s GLN 244 CO 0.60 0.18 0.70 0.41 -0.25 0.00 0.00 175.29 176.94 2roq n GLY 245 N -0.82 0.27 0.05 3.09 0.00 -1.26 -4.81 105.19 101.71 2roq n GLY 245 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 2roq n GLY 245 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2roq n SER 246 N 0.00 0.48 -0.37 1.61 2.88 -1.26 -4.41 113.62 112.55 2roq n SER 246 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2roq n SER 246 Cb 0.60 1.47 0.18 0.00 -0.75 0.00 0.00 64.21 65.70 2roq n SER 246 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 247 N -2.41 1.99 -0.89 2.46 5.66 -1.26 -5.05 114.28 114.78 2roq n THR 247 Ca -0.16 -2.08 -0.30 0.00 -3.05 0.00 0.00 64.05 58.46 2roq n THR 247 Cb 0.78 -0.21 0.16 0.00 -1.55 0.00 0.00 70.33 69.50 2roq n THR 247 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2roq s SER 248 N -2.47 3.07 0.00 1.09 0.15 -1.26 -1.42 113.70 112.86 2roq s SER 248 Ca 0.35 1.87 0.00 0.00 0.70 0.00 0.00 55.95 58.87 2roq s SER 248 Cb 0.29 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2roq s SER 248 CO 0.05 -2.95 0.00 0.41 1.20 0.00 0.00 173.24 171.95 2roq n THR 249 N -4.12 0.00 0.11 6.45 -1.04 -1.26 -4.39 114.28 110.03 2roq n THR 249 Ca 0.09 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.05 2roq n THR 249 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2roq h GLU 250 N 0.00 -0.29 0.23 -2.82 3.07 -1.98 -2.13 114.58 110.66 2roq h GLU 250 Ca 0.00 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2roq h GLU 250 Cb 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2roq h GLU 250 CO 0.00 -0.19 -0.16 1.25 -1.40 0.00 0.00 179.01 178.50 2roq h LEU 251 N -0.54 -0.42 -0.34 1.33 6.46 -1.44 -2.09 115.31 118.27 2roq h LEU 251 Ca -0.03 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2roq h LEU 251 Cb 0.23 0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 40.21 2roq h LEU 251 CO 0.05 -0.26 -0.29 -0.26 -0.62 0.00 0.00 178.44 177.06 2roq h PHE 252 N -0.39 -0.80 -0.38 1.25 0.04 -1.72 0.23 116.94 115.17 2roq h PHE 252 Ca -0.02 0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.92 2roq h PHE 252 Cb 0.34 0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2roq h PHE 252 CO -0.11 -0.36 0.28 1.15 -0.60 0.00 0.00 178.31 178.67 2roq h THR 253 N -0.25 0.78 -0.20 -1.55 2.02 -1.22 -1.24 112.91 111.24 2roq h THR 253 Ca 0.16 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 2roq h THR 253 Cb 0.51 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2roq h THR 253 CO -0.48 0.00 -0.16 0.74 0.37 0.00 0.00 175.52 175.98 2roq h THR 254 N 0.00 1.32 0.44 3.16 2.02 0.13 0.21 112.91 120.19 2roq h THR 254 Ca 0.18 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 2roq h THR 254 Cb 0.75 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2roq h THR 254 CO -0.00 0.39 -0.21 0.40 0.37 0.00 0.00 175.52 176.47 2roq h ILE 255 N 0.15 0.46 -0.66 3.11 1.08 -0.34 0.40 117.51 121.72 2roq h ILE 255 Ca 0.04 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.07 2roq h ILE 255 Cb 0.69 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2roq h ILE 255 CO 0.04 0.07 0.41 -0.08 -0.69 0.00 0.00 178.15 177.91 2roq h GLU 256 N -0.90 0.79 0.00 2.37 4.81 -1.38 0.17 114.58 120.44 2roq h GLU 256 Ca -0.06 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2roq h GLU 256 Cb 0.57 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2roq h GLU 256 CO 0.10 0.52 -0.25 0.78 -0.73 0.00 0.00 179.01 179.44 2roq h GLY 257 N 0.82 0.00 0.59 1.92 0.00 -0.96 -2.11 103.07 103.32 2roq h GLY 257 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.39 2roq h GLY 257 CO -0.10 0.00 -0.96 -0.57 0.00 0.00 0.00 176.54 174.91 2roq h ASN 258 N 0.00 0.40 -0.83 0.19 -0.73 0.04 -2.11 115.58 112.53 2roq h ASN 258 Ca -0.00 -0.91 -0.04 0.00 1.87 0.00 0.00 56.30 57.22 2roq h ASN 258 Cb 0.64 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 39.06 2roq h ASN 258 CO 0.03 1.44 0.38 0.10 -0.37 0.00 0.00 177.43 179.01 2roq h TYR 259 N -0.41 1.22 -0.05 0.67 -0.00 -0.66 0.24 116.97 117.99 2roq h TYR 259 Ca -0.19 -0.07 -0.14 0.00 0.00 0.00 0.00 58.73 58.33 2roq h TYR 259 Cb 1.63 -0.37 0.01 0.00 0.00 0.00 0.00 36.73 38.00 2roq h TYR 259 CO 0.18 0.90 -0.51 0.00 -0.00 0.00 0.00 178.16 178.72 2roq h ALA 260 N 1.21 0.12 -0.49 0.10 0.00 -1.51 -2.13 119.26 116.57 2roq h ALA 260 Ca 0.28 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2roq h ALA 260 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2roq h ALA 260 CO -0.03 0.33 0.02 0.22 0.00 0.00 0.00 179.25 179.79 2roq h ASP 261 N -0.05 0.76 -0.05 0.00 3.58 -1.25 -0.75 116.42 118.67 2roq h ASP 261 Ca -0.05 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 2roq h ASP 261 Cb 1.19 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 2roq h ASP 261 CO 0.10 0.82 -0.04 0.00 -2.88 0.00 0.00 179.24 177.24 2roq h ALA 262 N 1.27 0.07 0.00 -0.78 0.00 -0.57 0.37 119.26 119.62 2roq h ALA 262 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 262 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2roq h ALA 262 CO 0.02 -0.16 0.00 1.33 0.00 0.00 0.00 179.25 180.44 2roq n VAL 263 N -4.78 0.78 0.04 0.00 0.24 -0.80 -0.01 118.33 113.81 2roq n VAL 263 Ca -0.08 0.20 0.07 0.00 -2.04 0.00 0.00 64.34 62.49 2roq n VAL 263 Cb 0.27 -0.91 -0.11 0.00 -1.47 0.00 0.00 33.84 31.62 2roq n VAL 263 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2roq n ARG 264 N -1.46 0.57 -0.11 7.34 5.12 -0.29 -4.55 116.66 123.29 2roq n ARG 264 Ca 0.05 -0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.73 2roq n ARG 264 Cb 0.18 -1.33 -0.15 0.00 -1.16 0.00 0.00 32.46 30.01 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2roq n LEU 265 N -1.95 0.71 0.13 0.55 -0.00 0.13 -4.23 117.00 112.33 2roq n LEU 265 Ca -0.02 -0.03 0.09 0.00 -0.00 0.00 0.00 56.01 56.05 2roq n LEU 265 Cb 0.36 0.16 0.47 0.00 -0.00 0.00 0.00 43.42 44.41 2roq n LEU 265 CO 0.30 0.60 0.77 0.00 -0.00 0.00 0.00 177.39 179.07 2roq n LEU 266 N -2.87 0.46 -0.33 1.47 -0.00 0.99 -0.31 117.00 116.42 2roq n LEU 266 Ca -0.36 0.70 0.12 0.00 -0.00 0.00 0.00 56.01 56.47 2roq n LEU 266 Cb 1.12 -0.74 0.16 0.00 -0.00 0.00 0.00 43.42 43.96 2roq n LEU 266 CO 0.39 -0.81 0.43 1.07 -0.00 0.00 0.00 177.39 178.47 2roq n THR 267 N -2.10 0.00 -0.03 1.47 5.66 -1.26 -4.23 114.28 113.78 2roq n THR 267 Ca -0.01 -0.17 -0.02 0.00 -3.05 0.00 0.00 64.05 60.80 2roq n THR 267 Cb 0.06 0.83 -0.05 0.00 -1.55 0.00 0.00 70.33 69.61 2roq n THR 267 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2roq n THR 268 N -0.47 0.39 -0.23 1.09 -1.04 0.57 -4.93 114.28 109.66 2roq n THR 268 Ca 0.10 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.05 61.63 2roq n THR 268 Cb 0.40 -0.63 0.20 0.00 -1.82 0.00 0.00 70.33 68.48 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n ALA 269 N -2.17 -3.59 -2.99 2.41 0.00 -0.07 -5.06 120.51 109.04 2roq n ALA 269 Ca -0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 52.20 2roq n ALA 269 Cb 0.64 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2roq n ALA 269 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2roq s HIS 270 N -1.82 0.11 0.31 0.00 -3.43 -1.26 -5.04 115.29 104.17 2roq s HIS 270 Ca 0.45 -0.29 -0.19 0.00 -0.80 0.00 0.00 55.06 54.24 2roq s HIS 270 Cb -0.08 -0.09 0.04 0.00 -1.43 0.00 0.00 32.58 31.02 2roq s HIS 270 CO 0.38 -0.29 0.80 -1.12 -2.00 0.00 0.00 174.74 172.50 2roq s SER 271 N -1.59 -0.11 -0.05 7.38 0.01 -1.26 -4.87 113.70 113.21 2roq s SER 271 Ca -0.13 -0.85 0.03 0.00 1.31 0.00 0.00 55.95 56.31 2roq s SER 271 Cb -0.06 0.75 0.01 0.00 0.21 0.00 0.00 66.02 66.92 2roq s SER 271 CO -0.00 -1.45 -0.13 -0.69 0.41 0.00 0.00 173.24 171.37 2roq s VAL 272 N -2.99 1.18 0.92 3.43 1.01 -1.26 -4.94 120.40 117.76 2roq s VAL 272 Ca 0.14 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2roq s VAL 272 Cb -0.05 -1.05 0.14 0.00 0.00 0.00 0.00 36.38 35.43 2roq s VAL 272 CO 0.09 0.36 1.09 -2.16 0.00 0.00 0.00 175.10 174.47 2roq s PRO 273 N 0.38 1.04 0.03 2.72 0.04 -1.26 -4.15 135.00 133.80 2roq s PRO 273 Ca -0.09 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.73 2roq s PRO 273 Cb -0.13 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2roq s PRO 273 CO 0.03 -2.37 -0.12 0.12 0.04 0.00 0.00 177.00 174.70 2roq s PHE 274 N -2.94 1.04 -0.71 0.56 5.36 -1.26 -4.85 117.98 115.17 2roq s PHE 274 Ca 0.64 -0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 2roq s PHE 274 Cb -0.18 -0.62 0.32 0.00 -0.34 0.00 0.00 43.02 42.20 2roq s PHE 274 CO 0.57 0.01 1.16 -0.25 -1.46 0.00 0.00 175.22 175.25 2roq n ASP 275 N 2.00 5.19 0.00 6.13 9.92 -1.26 -4.83 116.55 133.70 2roq n ASP 275 Ca -0.18 -3.65 0.00 0.00 -0.53 0.00 0.00 54.79 50.43 2roq n ASP 275 Cb 0.55 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2roq n GLY 276 N -0.03 3.00 3.01 0.44 0.00 -1.26 -4.78 105.19 105.57 2roq n GLY 276 Ca 0.35 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2roq n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roq s LYS 277 N 4.05 2.03 0.09 1.61 1.02 -1.25 -2.99 119.74 124.30 2roq s LYS 277 Ca 0.00 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 54.76 2roq s LYS 277 Cb 0.00 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2roq s LYS 277 CO 0.00 -0.53 0.29 0.00 -0.92 0.00 0.00 175.35 174.19 2roq s ALA 278 N 1.27 -0.58 -0.10 5.17 0.00 -1.23 -3.47 121.76 122.83 2roq s ALA 278 Ca -0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 2roq s ALA 278 Cb -0.19 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2roq s ALA 278 CO -0.06 -0.54 0.21 0.99 0.00 0.00 0.00 175.76 176.36 2roq s THR 279 N -3.56 5.38 -0.06 0.00 2.01 0.92 -3.46 115.64 116.87 2roq s THR 279 Ca 0.02 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.44 2roq s THR 279 Cb 0.03 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2roq s THR 279 CO -0.10 0.59 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.04 2roq s LEU 280 N -0.90 1.84 0.04 4.42 1.98 -1.24 -1.89 118.68 122.94 2roq s LEU 280 Ca 0.17 -0.37 0.05 0.00 -2.89 0.00 0.00 54.13 51.09 2roq s LEU 280 Cb -0.13 -0.99 -0.03 0.00 0.66 0.00 0.00 46.19 45.70 2roq s LEU 280 CO 0.06 0.11 -0.10 -0.36 -1.89 0.00 0.00 176.35 174.17 2roq s PHE 281 N 0.33 2.77 0.05 5.38 0.40 -0.63 -2.53 117.98 123.75 2roq s PHE 281 Ca -0.11 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.20 2roq s PHE 281 Cb -0.14 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 2roq s PHE 281 CO 0.04 0.35 -0.26 0.14 0.70 0.00 0.00 175.22 176.20 2roq s VAL 282 N -1.03 2.08 -1.18 -0.44 -7.23 -1.18 -2.75 120.40 108.67 2roq s VAL 282 Ca 0.18 -1.40 -0.10 0.00 -1.81 0.00 0.00 61.98 58.84 2roq s VAL 282 Cb -0.11 -1.79 0.22 0.00 0.56 0.00 0.00 36.38 35.26 2roq s VAL 282 CO 0.09 0.32 1.40 0.00 -0.31 0.00 0.00 175.10 176.60 2roq n ALA 283 N 1.71 4.35 0.32 1.32 0.00 -1.26 -3.63 120.51 123.32 2roq n ALA 283 Ca -0.17 -4.46 0.22 0.00 0.00 0.00 0.00 53.44 49.03 2roq n ALA 283 Cb 0.52 -2.77 1.14 0.00 0.00 0.00 0.00 19.45 18.34 2roq n ALA 283 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2roq h GLU 284 N 6.58 0.00 0.00 0.00 4.22 -1.67 0.31 114.58 124.02 2roq h GLU 284 Ca 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.68 2roq h GLU 284 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2roq h GLU 284 CO 1.24 0.00 -0.13 0.07 -2.18 0.00 0.00 179.01 178.01 2roq h ARG 285 N 0.00 0.00 0.00 1.92 -0.00 -1.84 -3.17 114.38 111.29 2roq h ARG 285 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2roq h ARG 285 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.01 2roq h ARG 285 CO 0.00 0.13 -0.54 0.25 -0.00 0.00 0.00 179.97 179.81 2roq n THR 286 N -3.44 0.00 -3.94 0.08 -2.24 -0.25 -5.00 114.28 99.49 2roq n THR 286 Ca -0.01 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 2roq n THR 286 Cb 0.30 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.11 2roq n THR 286 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2roq s LEU 287 N -2.46 3.49 0.10 3.22 2.96 0.92 -4.89 118.68 122.03 2roq s LEU 287 Ca 0.00 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2roq s LEU 287 Cb 0.00 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2roq s LEU 287 CO 0.00 0.06 0.00 1.67 -1.32 0.00 0.00 176.35 176.76 2roq n GLN 288 N 4.31 0.00 -2.09 1.98 7.27 -1.26 -4.45 117.38 123.14 2roq n GLN 288 Ca -0.16 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.49 2roq n GLN 288 Cb 0.52 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.14 2roq n GLN 288 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2roq s GLU 289 N -1.22 3.12 0.00 3.69 2.12 -1.26 -3.30 118.70 121.85 2roq s GLU 289 Ca 0.00 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.34 2roq s GLU 289 Cb 0.00 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.16 2roq s GLU 289 CO 0.00 -2.12 0.00 0.41 -0.54 0.00 0.00 175.26 173.01 2roq n GLY 290 N 5.46 3.42 3.33 -1.50 0.00 -1.26 -5.11 105.19 109.53 2roq n GLY 290 Ca 0.20 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2roq n GLY 290 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2roq s MET 291 N 0.00 2.61 -0.47 1.61 -1.94 -1.21 -5.05 119.30 114.86 2roq s MET 291 Ca 0.00 -0.83 0.05 0.00 -1.71 0.00 0.00 55.69 53.19 2roq s MET 291 Cb 0.00 -2.26 0.25 0.00 2.01 0.00 0.00 34.83 34.83 2roq s MET 291 CO 0.00 0.43 0.95 0.43 -0.01 0.00 0.00 175.02 176.82 2roq n SER 292 N 2.84 -2.67 -4.64 3.03 7.64 -1.26 -4.81 113.62 113.75 2roq n SER 292 Ca -0.17 -3.13 -0.43 0.00 1.01 0.00 0.00 58.87 56.15 2roq n SER 292 Cb 0.52 1.70 -0.03 0.00 -1.01 0.00 0.00 64.21 65.39 2roq n SER 292 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 293 N 0.60 3.90 -0.54 1.43 0.04 -1.26 -4.94 135.00 134.24 2roq s PRO 293 Ca 0.31 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.16 2roq s PRO 293 Cb 0.23 -4.00 0.29 0.00 0.04 0.00 0.00 34.50 31.06 2roq s PRO 293 CO -0.22 -1.16 0.75 0.39 0.04 0.00 0.00 177.00 176.80 2roq n GLU 294 N 7.47 2.15 0.03 4.56 1.02 -1.26 -4.85 120.64 129.76 2roq n GLU 294 Ca 0.18 -4.26 0.00 0.00 -0.02 0.00 0.00 57.16 53.06 2roq n GLU 294 Cb 0.45 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2roq n ARG 295 N 0.60 0.00 -3.59 3.49 5.12 -1.26 -5.18 116.66 115.84 2roq n ARG 295 Ca 0.28 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.18 2roq n ARG 295 Cb 0.46 -0.01 0.02 0.00 -1.16 0.00 0.00 32.46 31.78 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2roq n ALA 296 N -2.74 -2.43 -2.42 7.54 0.00 -1.26 -5.16 120.51 114.04 2roq n ALA 296 Ca 0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 53.44 52.21 2roq n ALA 296 Cb 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 2roq n ALA 296 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2roq s TRP 297 N -2.55 3.58 -0.03 0.00 -2.14 -1.26 -5.08 118.94 111.46 2roq s TRP 297 Ca 0.21 0.96 -0.30 0.00 2.66 0.00 0.00 56.10 59.63 2roq s TRP 297 Cb -0.02 -2.30 0.11 0.00 -3.10 0.00 0.00 33.47 28.16 2roq s TRP 297 CO 0.04 0.43 0.96 -1.12 -2.66 0.00 0.00 176.95 174.60 2roq s SER 298 N -1.82 -0.31 1.16 -2.66 0.01 -1.26 -5.18 113.70 103.65 2roq s SER 298 Ca 0.38 -0.02 -0.18 0.00 1.31 0.00 0.00 55.95 57.44 2roq s SER 298 Cb -0.14 0.34 0.27 0.00 0.21 0.00 0.00 66.02 66.69 2roq s SER 298 CO 0.19 -0.55 1.11 -2.16 0.41 0.00 0.00 173.24 172.23 2roq s PRO 299 N -2.98 -0.88 -0.26 12.44 0.04 -1.26 -4.91 135.00 137.18 2roq s PRO 299 Ca 0.06 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 2roq s PRO 299 Cb -0.01 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.79 2roq s PRO 299 CO -0.08 -3.51 -0.34 1.87 0.04 0.00 0.00 177.00 174.98 2roq n TRP 300 N -4.64 0.00 0.00 0.56 -0.00 -1.26 -4.98 117.44 107.12 2roq n TRP 300 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 2roq n TRP 300 Cb 0.59 -0.93 0.00 0.00 -0.00 0.00 0.00 31.31 30.97 2roq n TRP 300 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 2roq n ILE 301 N -4.20 0.00 -0.02 5.87 2.08 -1.26 -5.04 119.36 116.79 2roq n ILE 301 Ca -0.51 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 62.77 2roq n ILE 301 Cb 0.86 -0.78 -0.01 0.00 -0.75 0.00 0.00 39.64 38.95 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2roq n ALA 302 N -2.20 1.83 -3.49 -1.39 0.00 -1.26 -5.08 120.51 108.92 2roq n ALA 302 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.08 2roq n ALA 302 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 2roq n ALA 302 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2roq s GLU 303 N -2.18 0.44 0.27 0.00 2.02 -1.16 -4.93 118.70 113.15 2roq s GLU 303 Ca -0.12 1.07 -0.20 0.00 0.02 0.00 0.00 54.97 55.73 2roq s GLU 303 Cb 0.02 0.64 0.02 0.00 0.10 0.00 0.00 34.13 34.91 2roq s GLU 303 CO 0.18 -0.18 0.69 -0.48 0.02 0.00 0.00 175.26 175.48 2roq s LEU 304 N 2.70 -0.23 -0.38 1.80 0.05 -1.26 -3.47 118.68 117.89 2roq s LEU 304 Ca -0.03 -0.58 0.03 0.00 0.05 0.00 0.00 54.13 53.60 2roq s LEU 304 Cb -0.09 2.63 0.11 0.00 -2.05 0.00 0.00 46.19 46.79 2roq s LEU 304 CO -0.18 -1.30 0.12 -0.62 -0.55 0.00 0.00 176.35 173.82 2roq s ASP 305 N -2.91 4.38 0.29 1.48 2.15 -1.22 -4.66 116.67 116.18 2roq s ASP 305 Ca 0.11 -2.24 -0.25 0.00 0.43 0.00 0.00 52.55 50.60 2roq s ASP 305 Cb -0.05 -1.38 -0.09 0.00 -0.30 0.00 0.00 42.92 41.10 2roq s ASP 305 CO 0.05 -0.35 0.90 0.27 -0.17 0.00 0.00 175.17 175.88 2roq s ILE 306 N 0.80 4.27 -0.14 4.11 -0.00 -1.26 -3.59 121.20 125.39 2roq s ILE 306 Ca 0.13 1.75 -0.00 0.00 -0.00 0.00 0.00 60.65 62.52 2roq s ILE 306 Cb -0.20 -4.01 0.03 0.00 -0.00 0.00 0.00 42.46 38.28 2roq s ILE 306 CO -0.10 0.19 -0.06 -0.31 -0.00 0.00 0.00 174.94 174.66 2roq s TYR 307 N -1.55 1.56 -0.45 1.37 2.02 -1.05 -5.01 117.35 114.24 2roq s TYR 307 Ca 0.48 -0.88 -0.25 0.00 -0.37 0.00 0.00 57.07 56.05 2roq s TYR 307 Cb -0.19 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2roq s TYR 307 CO 0.24 -0.56 0.88 -0.98 -1.57 0.00 0.00 175.55 173.56 2roq s ARG 308 N 1.68 3.50 -0.09 -0.62 3.03 -1.26 -3.13 118.95 122.07 2roq s ARG 308 Ca 0.03 0.09 -0.12 0.00 2.03 0.00 0.00 55.73 57.77 2roq s ARG 308 Cb -0.14 -3.93 0.03 0.00 -1.03 0.00 0.00 34.95 29.88 2roq s ARG 308 CO -0.08 -1.18 0.31 -1.14 -1.13 0.00 0.00 175.30 172.08 2roq s GLN 309 N 3.60 0.44 -0.79 3.89 0.74 -1.24 -4.99 119.66 121.31 2roq s GLN 309 Ca 0.35 0.27 -0.25 0.00 0.05 0.00 0.00 55.36 55.78 2roq s GLN 309 Cb -0.11 0.21 -0.03 0.00 1.10 0.00 0.00 33.01 34.18 2roq s GLN 309 CO 0.25 -0.08 1.86 0.16 -0.55 0.00 0.00 175.29 176.93 2roq s ASP 310 N -0.21 5.31 -0.18 6.67 -4.77 -1.26 -2.28 116.67 119.95 2roq s ASP 310 Ca -0.03 -0.31 -0.06 0.00 -3.30 0.00 0.00 52.55 48.85 2roq s ASP 310 Cb -0.03 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 39.34 2roq s ASP 310 CO 0.01 -2.49 0.37 0.00 0.70 0.00 0.00 175.17 173.76 2roq s ALA 312 N 2.55 2.56 0.38 0.00 0.00 -1.26 -4.09 121.76 121.90 2roq s ALA 312 Ca -0.00 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.25 2roq s ALA 312 Cb -0.12 -2.92 0.77 0.00 0.00 0.00 0.00 23.12 20.85 2roq s ALA 312 CO -0.12 -1.85 1.98 0.45 0.00 0.00 0.00 175.76 176.22 2roq h HIS 313 N -1.19 0.48 0.00 0.00 3.86 -1.98 0.10 115.15 116.42 2roq h HIS 313 Ca -0.46 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2roq h HIS 313 Cb 1.31 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2roq h HIS 313 CO -0.03 0.40 -1.86 1.33 0.86 0.00 0.00 177.93 178.63 2roq n VAL 314 N -4.38 0.00 0.14 2.45 0.24 -1.26 -4.25 118.33 111.27 2roq n VAL 314 Ca 0.02 -0.43 0.06 0.00 -2.04 0.00 0.00 64.34 61.94 2roq n VAL 314 Cb 0.15 0.13 0.04 0.00 -1.47 0.00 0.00 33.84 32.70 2roq n VAL 314 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2roq h ASP 315 N 0.00 0.00 0.94 -1.34 3.58 -1.84 -3.25 116.42 114.51 2roq h ASP 315 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2roq h ASP 315 Cb 0.92 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2roq h ASP 315 CO 0.00 0.32 -0.28 -0.29 -2.88 0.00 0.00 179.24 176.11 2roq h ILE 316 N 0.00 0.65 -0.35 2.25 6.09 -0.98 -2.73 117.51 122.44 2roq h ILE 316 Ca -0.03 -1.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.19 2roq h ILE 316 Cb 1.27 1.84 0.00 0.00 0.47 0.00 0.00 36.82 40.40 2roq h ILE 316 CO 0.04 0.27 0.00 0.00 -3.07 0.00 0.00 178.15 175.39 2roq n ILE 317 N -3.42 1.34 -2.77 2.19 0.13 -1.23 -4.57 119.36 111.03 2roq n ILE 317 Ca 0.00 -0.74 -0.26 0.00 -1.10 0.00 0.00 62.75 60.65 2roq n ILE 317 Cb 0.47 -0.22 0.01 0.00 -0.84 0.00 0.00 39.64 39.06 2roq n ILE 317 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2roq s SER 318 N -0.58 6.00 0.00 9.51 1.04 -1.03 -4.96 113.70 123.68 2roq s SER 318 Ca 0.30 0.65 0.15 0.00 0.48 0.00 0.00 55.95 57.53 2roq s SER 318 Cb 0.22 -1.91 0.81 0.00 0.10 0.00 0.00 66.02 65.23 2roq s SER 318 CO 0.11 -0.68 1.39 -0.81 0.98 0.00 0.00 173.24 174.23 2roq n PRO 319 N -2.23 0.30 -0.09 4.02 -0.04 -1.26 -3.10 135.00 132.60 2roq n PRO 319 Ca 0.01 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 2roq n PRO 319 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2roq n PRO 319 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 320 N -0.03 -0.83 0.30 0.55 0.00 -1.26 -3.42 105.19 100.50 2roq n GLY 320 Ca 0.09 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.23 2roq n GLY 320 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2roq h THR 321 N -1.00 0.35 0.17 2.61 2.02 -1.79 -1.64 112.91 113.63 2roq h THR 321 Ca -0.21 -0.11 -0.30 0.00 0.77 0.00 0.00 66.41 66.56 2roq h THR 321 Cb 0.99 1.08 0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2roq h THR 321 CO -0.13 0.02 -1.35 -0.26 0.37 0.00 0.00 175.52 174.17 2roq h PHE 322 N 0.00 0.66 0.00 3.16 0.04 -1.72 -1.46 116.94 117.62 2roq h PHE 322 Ca -0.00 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2roq h PHE 322 Cb 0.08 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.20 2roq h PHE 322 CO 0.00 1.39 0.00 1.05 -0.60 0.00 0.00 178.31 180.15 2roq h GLU 323 N 0.10 0.00 0.00 1.51 4.11 -1.34 -3.03 114.58 115.93 2roq h GLU 323 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2roq h GLU 323 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2roq h GLU 323 CO 0.23 0.00 -1.57 1.17 0.07 0.00 0.00 179.01 178.91 2roq n LYS 324 N -2.32 0.73 -0.87 1.06 4.81 -0.80 -4.32 118.16 116.45 2roq n LYS 324 Ca 0.04 -0.12 0.02 0.00 -0.87 0.00 0.00 58.31 57.38 2roq n LYS 324 Cb 0.34 -1.39 0.34 0.00 0.02 0.00 0.00 35.03 34.34 2roq n LYS 324 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2roq n ILE 325 N -1.94 2.60 0.08 3.15 3.06 -0.55 -4.61 119.36 121.14 2roq n ILE 325 Ca -0.02 -1.35 -0.03 0.00 -2.50 0.00 0.00 62.75 58.86 2roq n ILE 325 Cb 0.41 -0.33 -0.01 0.00 0.54 0.00 0.00 39.64 40.24 2roq n ILE 325 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2roq h GLY 326 N 3.69 -0.20 1.79 4.50 0.00 -1.74 -2.64 103.07 108.46 2roq h GLY 326 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2roq h GLY 326 CO 0.54 -0.07 0.00 -1.55 0.00 0.00 0.00 176.54 175.45 2roq n PRO 327 N -2.62 0.10 -0.01 4.80 -0.04 -1.26 -2.03 135.00 133.94 2roq n PRO 327 Ca -0.02 0.20 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2roq n PRO 327 Cb 0.08 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2roq n PRO 327 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2roq h ILE 328 N 0.00 0.00 -0.13 0.52 2.04 -1.81 -3.18 117.51 114.94 2roq h ILE 328 Ca 0.00 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2roq h ILE 328 Cb 0.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2roq h ILE 328 CO 0.00 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.46 2roq h ILE 329 N -0.68 1.33 -0.92 -0.67 2.04 -1.51 -2.90 117.51 114.21 2roq h ILE 329 Ca -0.00 -1.19 0.24 0.00 1.00 0.00 0.00 64.86 64.90 2roq h ILE 329 Cb 0.04 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2roq h ILE 329 CO 0.01 0.34 0.63 -0.09 0.00 0.00 0.00 178.15 179.04 2roq h ARG 330 N -0.07 0.20 0.35 2.37 2.43 -1.60 0.20 114.38 118.26 2roq h ARG 330 Ca 0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2roq h ARG 330 Cb 0.59 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2roq h ARG 330 CO 0.02 0.13 -0.17 0.00 -1.51 0.00 0.00 179.97 178.45 2roq h ALA 331 N 1.58 -0.55 -0.84 2.80 0.00 -1.51 -1.04 119.26 119.71 2roq h ALA 331 Ca 0.46 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.41 2roq h ALA 331 Cb 1.48 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 2roq h ALA 331 CO -0.11 -0.51 0.55 0.00 0.00 0.00 0.00 179.25 179.18 2roq h THR 332 N -0.93 0.84 0.00 0.00 1.03 -1.23 0.28 112.91 112.90 2roq h THR 332 Ca -0.05 -0.22 -0.01 0.00 -0.01 0.00 0.00 66.41 66.13 2roq h THR 332 Cb 0.36 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 67.59 2roq h THR 332 CO 0.08 0.12 -0.03 -0.07 -0.01 0.00 0.00 175.52 175.60 2roq h LEU 333 N 0.63 0.00 0.00 0.00 3.38 -0.69 -2.06 115.31 116.57 2roq h LEU 333 Ca 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 2roq h LEU 333 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2roq h LEU 333 CO -0.17 0.03 -0.74 0.78 0.09 0.00 0.00 178.44 178.43 2roq h ASN 334 N 0.00 0.00 0.22 -0.43 4.21 0.89 -2.02 115.58 118.45 2roq h ASN 334 Ca -0.00 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.16 2roq h ASN 334 Cb 0.87 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 2roq h ASN 334 CO 0.00 0.43 -1.88 0.08 -1.29 0.00 0.00 177.43 174.78 2roq h ARG 335 N 0.00 0.24 0.00 0.81 0.11 -1.11 -3.23 114.38 111.20 2roq h ARG 335 Ca -0.05 -0.41 -0.03 0.00 0.10 0.00 0.00 59.98 59.60 2roq h ARG 335 Cb 1.37 0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.60 2roq h ARG 335 CO 0.05 1.10 -0.30 1.37 0.10 0.00 0.00 179.97 182.30 2roq h LEU 336 N 0.07 0.00 -0.25 0.08 8.10 -1.50 -3.34 115.31 118.47 2roq h LEU 336 Ca -0.38 0.00 0.06 0.00 0.11 0.00 0.00 57.88 57.68 2roq h LEU 336 Cb 2.04 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 42.19 2roq h LEU 336 CO 0.11 0.13 -0.24 -0.33 -4.11 0.00 0.00 178.44 173.99 2roq h GLU 337 N 0.00 -0.23 0.00 0.17 4.39 -1.51 -3.47 114.58 113.93 2roq h GLU 337 Ca -0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2roq h GLU 337 Cb 1.10 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2roq h GLU 337 CO 0.02 -0.15 0.00 1.58 -1.16 0.00 0.00 179.01 179.29 2roq n HIS 338 N -5.38 -0.66 -2.66 4.33 -0.00 -1.25 -5.04 115.22 104.57 2roq n HIS 338 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.67 2roq n HIS 338 Cb 0.29 0.13 0.04 0.00 -0.00 0.00 0.00 29.99 30.45 2roq n HIS 338 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2roq n HIS 339 N -1.55 -1.16 -3.35 1.57 -0.00 -1.26 -5.02 115.22 104.45 2roq n HIS 339 Ca 0.00 -1.12 -0.43 0.00 0.46 0.00 0.00 57.72 56.64 2roq n HIS 339 Cb 0.00 1.29 -0.09 0.00 -0.12 0.00 0.00 29.99 31.07 2roq n HIS 339 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2roq s HIS 340 N 0.09 3.18 1.27 1.57 4.02 -1.22 -5.07 115.29 119.13 2roq s HIS 340 Ca 0.09 -0.34 -0.16 0.00 1.02 0.00 0.00 55.06 55.68 2roq s HIS 340 Cb 0.20 -2.83 0.32 0.00 -1.02 0.00 0.00 32.58 29.25 2roq s HIS 340 CO -0.05 -0.65 0.95 -2.39 1.02 0.00 0.00 174.74 173.62 2roq n HIS 341 N 5.52 -1.98 -4.30 1.40 1.44 -1.26 -4.52 115.22 111.53 2roq n HIS 341 Ca -0.08 -0.33 -0.18 0.00 -2.01 0.00 0.00 57.72 55.11 2roq n HIS 341 Cb 0.48 -1.60 -0.06 0.00 0.12 0.00 0.00 29.99 28.92 2roq n HIS 341 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2roq n HIS 342 N -5.23 -0.42 -0.43 -1.40 1.44 -1.26 -5.04 115.22 102.88 2roq n HIS 342 Ca 0.04 -2.34 0.00 0.00 -2.01 0.00 0.00 57.72 53.41 2roq n HIS 342 Cb 0.56 0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.83 2roq n HIS 342 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11