#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq n LEU 2 N 0.00 1.56 -4.67 3.17 -0.00 -1.26 -5.09 117.00 110.70 2roq n LEU 2 Ca 0.00 -4.98 -0.42 0.00 -0.00 0.00 0.00 56.01 50.60 2roq n LEU 2 Cb 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 2roq n LEU 2 CO 0.00 2.07 1.24 -2.16 -0.00 0.00 0.00 177.39 178.54 2roq s PRO 3 N -1.69 4.22 0.24 1.47 0.04 -1.26 -5.02 135.00 133.00 2roq s PRO 3 Ca 0.37 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.52 2roq s PRO 3 Cb 0.16 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2roq s PRO 3 CO -0.07 -0.74 -0.07 -1.21 0.04 0.00 0.00 177.00 174.95 2roq s GLU 4 N 3.42 2.11 -0.73 4.56 2.02 -1.26 -5.06 118.70 123.76 2roq s GLU 4 Ca 0.67 -1.44 -0.26 0.00 0.02 0.00 0.00 54.97 53.96 2roq s GLU 4 Cb -0.30 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.83 2roq s GLU 4 CO 0.25 0.38 1.74 -0.51 0.02 0.00 0.00 175.26 177.15 2roq s LEU 5 N -3.38 3.25 0.54 1.80 1.43 -1.26 -4.82 118.68 116.25 2roq s LEU 5 Ca 0.29 -0.18 0.29 0.00 -1.03 0.00 0.00 54.13 53.50 2roq s LEU 5 Cb -0.07 -2.55 1.46 0.00 0.03 0.00 0.00 46.19 45.06 2roq s LEU 5 CO 0.17 -2.30 1.92 0.11 0.23 0.00 0.00 176.35 176.49 2roq h LYS 6 N 12.82 0.00 0.00 1.70 1.79 -2.03 -3.44 116.57 127.41 2roq h LYS 6 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2roq h LYS 6 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2roq h LYS 6 CO 1.24 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.61 2roq n ALA 7 N -2.64 0.00 -3.83 3.86 0.00 -1.26 -5.15 120.51 111.49 2roq n ALA 7 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 2roq n ALA 7 Cb 0.81 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.10 2roq n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2roq s GLN 8 N -1.88 1.08 0.26 0.00 -0.21 -1.26 -5.13 119.66 112.52 2roq s GLN 8 Ca 0.00 -0.57 0.08 0.00 0.02 0.00 0.00 55.36 54.89 2roq s GLN 8 Cb 0.00 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 2roq s GLN 8 CO 0.00 -0.57 0.14 0.00 -2.12 0.00 0.00 175.29 172.74 2roq s ALA 9 N 1.69 3.46 -1.18 6.09 0.00 -1.26 -5.00 121.76 125.56 2roq s ALA 9 Ca -0.02 -1.51 0.14 0.00 0.00 0.00 0.00 51.96 50.58 2roq s ALA 9 Cb -0.17 -1.12 0.66 0.00 0.00 0.00 0.00 23.12 22.50 2roq s ALA 9 CO -0.07 0.24 1.44 -0.35 0.00 0.00 0.00 175.76 177.01 2roq n PRO 10 N -1.10 0.09 0.00 0.00 -0.04 -1.26 -4.61 135.00 128.08 2roq n PRO 10 Ca -0.07 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2roq n PRO 10 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.03 0.17 3.56 0.55 0.00 -1.26 -4.31 105.19 103.87 2roq n GLY 11 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2roq n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2roq s ARG 12 N 0.00 2.84 0.00 1.61 0.52 -1.26 -2.11 118.95 120.54 2roq s ARG 12 Ca 0.00 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 2roq s ARG 12 Cb 0.00 -4.32 0.00 0.00 0.52 0.00 0.00 34.95 31.15 2roq s ARG 12 CO 0.00 -2.48 0.00 0.00 0.02 0.00 0.00 175.30 172.84 2roq n ALA 13 N 11.80 0.00 -2.04 2.13 0.00 -1.26 -4.63 120.51 126.51 2roq n ALA 13 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 2roq n ALA 13 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 2.58 0.00 0.00 0.04 -1.26 -4.36 135.00 132.00 2roq s PRO 14 Ca 0.00 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.16 2roq s PRO 14 Cb 0.00 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.78 2roq s PRO 14 CO 0.00 -3.09 0.35 1.17 0.04 0.00 0.00 177.00 175.47 2roq n LYS 15 N 9.01 0.00 -0.04 4.56 0.00 -1.26 -4.90 118.16 125.54 2roq n LYS 15 Ca 0.31 -0.33 0.11 0.00 0.00 0.00 0.00 58.31 58.40 2roq n LYS 15 Cb 0.49 0.44 0.11 0.00 0.00 0.00 0.00 35.03 36.07 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 16 N 0.00 2.45 0.00 3.14 0.00 -1.26 -4.99 120.51 119.85 2roq n ALA 16 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2roq n ALA 16 Cb 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.25 1.71 0.04 0.00 0.00 -1.26 -4.24 105.19 102.68 2roq n GLY 17 Ca 0.14 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2roq n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2roq n SER 18 N 3.91 0.45 -0.04 1.61 7.64 -1.26 -3.98 113.62 121.96 2roq n SER 18 Ca 0.00 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 2roq n SER 18 Cb 0.00 0.04 -0.13 0.00 -1.01 0.00 0.00 64.21 63.11 2roq n SER 18 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2roq h GLU 19 N 0.20 0.16 -0.97 1.43 5.08 -1.92 -3.35 114.58 115.20 2roq h GLU 19 Ca 0.00 -0.28 0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2roq h GLU 19 Cb 0.48 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2roq h GLU 19 CO 0.00 1.13 0.61 1.15 -1.00 0.00 0.00 179.01 180.91 2roq h THR 20 N -0.37 0.82 -0.09 1.13 2.02 -1.91 0.15 112.91 114.67 2roq h THR 20 Ca -0.39 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2roq h THR 20 Cb 1.74 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2roq h THR 20 CO -0.03 0.15 -0.14 0.16 0.37 0.00 0.00 175.52 176.03 2roq h ILE 21 N 0.82 1.15 0.23 3.11 3.07 -1.73 -2.23 117.51 121.94 2roq h ILE 21 Ca 0.51 -0.69 -0.01 0.00 1.55 0.00 0.00 64.86 66.22 2roq h ILE 21 Cb 0.70 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 2roq h ILE 21 CO -0.28 0.21 -0.11 0.40 -1.05 0.00 0.00 178.15 177.32 2roq h ILE 22 N 0.13 0.56 -0.98 0.16 2.04 -0.86 -1.44 117.51 117.12 2roq h ILE 22 Ca 0.03 -0.96 0.19 0.00 1.00 0.00 0.00 64.86 65.12 2roq h ILE 22 Cb 0.34 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.26 2roq h ILE 22 CO 0.02 0.14 0.61 0.00 0.00 0.00 0.00 178.15 178.93 2roq h ALA 23 N -0.58 1.82 -0.16 1.87 0.00 -1.32 0.63 119.26 121.52 2roq h ALA 23 Ca -0.03 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2roq h ALA 23 Cb 0.47 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2roq h ALA 23 CO 0.05 -0.17 -0.53 0.00 0.00 0.00 0.00 179.25 178.61 2roq h ALA 24 N 1.63 0.28 0.00 0.00 0.00 -1.45 -2.27 119.26 117.44 2roq h ALA 24 Ca 0.54 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 24 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2roq h ALA 24 CO -0.31 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2roq h ALA 25 N 0.55 1.00 0.00 0.00 0.00 -0.00 -2.22 119.26 118.59 2roq h ALA 25 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2roq h ALA 25 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2roq h ALA 25 CO 0.11 0.00 -0.03 0.74 0.00 0.00 0.00 179.25 180.07 2roq h PHE 26 N 0.00 0.00 0.00 0.00 0.04 0.27 -2.16 116.94 115.09 2roq h PHE 26 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2roq h PHE 26 Cb 0.63 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 2roq h PHE 26 CO 0.00 0.00 -0.02 0.66 -0.60 0.00 0.00 178.31 178.35 2roq h SER 27 N -0.84 0.00 0.32 2.17 4.64 -1.50 0.22 113.55 118.56 2roq h SER 27 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2roq h SER 27 Cb 0.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2roq h SER 27 CO 0.00 0.02 -1.51 -1.28 -0.87 0.00 0.00 176.83 173.19 2roq h SER 28 N 0.00 0.71 0.00 4.97 0.87 -1.52 -1.97 113.55 116.60 2roq h SER 28 Ca -0.00 -0.82 -0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2roq h SER 28 Cb 0.06 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2roq h SER 28 CO 0.00 1.66 -0.00 -0.07 -0.53 0.00 0.00 176.83 177.89 2roq h LEU 29 N 0.12 -0.00 0.00 2.23 3.38 -0.67 -3.19 115.31 117.18 2roq h LEU 29 Ca -0.26 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.95 2roq h LEU 29 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 2roq h LEU 29 CO 0.24 0.77 0.00 0.18 0.09 0.00 0.00 178.44 179.71 2roq n LEU 30 N -4.72 0.00 -2.49 1.67 4.77 0.72 -4.87 117.00 112.07 2roq n LEU 30 Ca -0.09 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2roq n LEU 30 Cb 0.37 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2roq n LEU 30 CO 0.33 -0.05 -0.18 0.61 -1.33 0.00 0.00 177.39 176.78 2roq n GLY 31 N 0.63 -0.50 0.00 -0.72 0.00 -0.90 -4.91 105.19 98.80 2roq n GLY 31 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.41 5.76 0.10 0.00 1.01 -1.26 -4.20 116.67 117.68 2roq s ASP 33 Ca 0.00 -0.43 -0.04 0.00 0.71 0.00 0.00 52.55 52.78 2roq s ASP 33 Cb 0.00 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.82 2roq s ASP 33 CO 0.00 -0.19 0.33 -0.69 0.21 0.00 0.00 175.17 174.83 2roq s VAL 34 N 1.67 5.23 0.00 -1.27 1.01 -1.26 -5.03 120.40 120.74 2roq s VAL 34 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2roq s VAL 34 Cb -0.17 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2roq s VAL 34 CO 0.08 0.11 0.50 0.00 0.00 0.00 0.00 175.10 175.79 2roq n GLN 35 N 0.30 0.00 0.00 2.72 3.00 -1.26 -4.96 117.38 117.18 2roq n GLN 35 Ca -0.04 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2roq n GLN 35 Cb 0.52 -0.96 0.00 0.00 0.00 0.00 0.00 30.24 29.80 2roq n GLN 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2roq n ASP 36 N -1.13 0.00 -0.00 1.08 8.00 -1.26 -4.80 116.55 118.43 2roq n ASP 36 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2roq n ASP 36 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roq n ALA 37 N 0.00 2.18 -1.47 2.24 0.00 -0.90 -4.54 120.51 118.02 2roq n ALA 37 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2roq n ALA 37 Cb 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 19.45 19.43 2roq n ALA 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2roq n ASP 38 N -1.58 5.44 -4.82 0.00 2.03 -1.26 -0.94 116.55 115.42 2roq n ASP 38 Ca -0.01 -3.75 -0.35 0.00 0.52 0.00 0.00 54.79 51.20 2roq n ASP 38 Cb 0.10 -0.76 -0.06 0.00 -0.72 0.00 0.00 41.12 39.67 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq s ALA 39 N -3.58 3.37 -0.21 -1.67 0.00 -1.26 -4.89 121.76 113.52 2roq s ALA 39 Ca 0.57 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 2roq s ALA 39 Cb 0.47 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.77 2roq s ALA 39 CO 0.02 0.32 -0.11 -0.51 0.00 0.00 0.00 175.76 175.49 2roq s ASP 40 N -1.82 3.86 0.44 0.00 1.11 -1.26 -2.85 116.67 116.15 2roq s ASP 40 Ca 0.47 -0.57 0.27 0.00 0.18 0.00 0.00 52.55 52.89 2roq s ASP 40 Cb -0.15 -1.63 1.32 0.00 1.07 0.00 0.00 42.92 43.53 2roq s ASP 40 CO 0.20 -0.03 1.71 -0.26 1.18 0.00 0.00 175.17 177.97 2roq h PHE 41 N 8.03 0.49 0.37 4.23 0.04 -1.89 0.33 116.94 128.54 2roq h PHE 41 Ca -0.42 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.35 2roq h PHE 41 Cb 1.14 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.16 2roq h PHE 41 CO 0.54 -0.06 -0.18 0.74 -0.60 0.00 0.00 178.31 178.76 2roq h PHE 42 N 0.20 -0.46 0.00 -0.55 0.04 -1.84 -3.07 116.94 111.26 2roq h PHE 42 Ca 0.70 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.45 2roq h PHE 42 Cb 2.13 0.15 0.00 0.00 2.20 0.00 0.00 35.95 40.43 2roq h PHE 42 CO -0.00 -0.29 0.07 0.00 -0.60 0.00 0.00 178.31 177.49 2roq h ALA 43 N -1.59 1.07 0.00 2.45 0.00 -1.62 0.12 119.26 119.68 2roq h ALA 43 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2roq h ALA 43 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2roq h ALA 43 CO 0.08 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2roq n LEU 44 N -2.99 0.00 -3.31 0.00 4.77 0.11 -4.89 117.00 110.69 2roq n LEU 44 Ca -0.03 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 2roq n LEU 44 Cb 0.13 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2roq n LEU 44 CO 0.18 -0.15 0.18 0.61 -1.33 0.00 0.00 177.39 176.88 2roq n GLY 45 N 0.40 -0.38 0.00 -0.72 0.00 0.41 -4.98 105.19 99.92 2roq n GLY 45 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.58 1.37 1.00 -0.02 0.00 -1.19 -5.02 105.19 99.75 2roq n GLY 46 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2roq n GLY 46 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2roq n HIS 47 N 0.00 -2.69 0.00 1.61 1.44 -1.26 -4.69 115.22 109.63 2roq n HIS 47 Ca 0.00 1.48 0.00 0.00 -2.01 0.00 0.00 57.72 57.19 2roq n HIS 47 Cb 0.00 -2.44 0.00 0.00 0.12 0.00 0.00 29.99 27.67 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2roq n ALA 48 N -3.28 0.00 -0.11 1.59 0.00 -1.26 -3.05 120.51 114.40 2roq n ALA 48 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 2roq n ALA 48 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N 0.00 1.88 -0.10 0.00 4.77 -1.26 -3.11 117.00 119.17 2roq n LEU 49 Ca 0.00 0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 56.35 2roq n LEU 49 Cb 0.00 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.18 2roq n LEU 49 CO 0.00 0.25 0.77 -0.07 -1.33 0.00 0.00 177.39 177.01 2roq h LEU 50 N -1.00 -0.46 -0.60 2.23 -0.00 -1.82 0.27 115.31 113.94 2roq h LEU 50 Ca -0.39 0.12 -0.13 0.00 -0.00 0.00 0.00 57.88 57.49 2roq h LEU 50 Cb 1.29 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 42.20 2roq h LEU 50 CO -0.23 -0.16 -0.24 0.00 -0.00 0.00 0.00 178.44 177.80 2roq h ALA 51 N 1.27 0.79 0.29 1.53 0.00 -1.78 -2.18 119.26 119.18 2roq h ALA 51 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2roq h ALA 51 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2roq h ALA 51 CO -0.41 0.65 -0.14 1.98 0.00 0.00 0.00 179.25 181.34 2roq h MET 52 N 0.74 -0.38 0.00 0.00 1.85 -1.24 0.26 114.93 116.16 2roq h MET 52 Ca 0.09 0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.19 2roq h MET 52 Cb 0.78 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.90 2roq h MET 52 CO 0.06 -0.22 -0.09 -0.22 -0.40 0.00 0.00 176.91 176.04 2roq h LYS 53 N -0.43 0.00 0.03 0.39 3.64 -0.50 -2.20 116.57 117.50 2roq h LYS 53 Ca -0.04 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 2roq h LYS 53 Cb 0.33 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2roq h LYS 53 CO 0.07 0.09 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.79 2roq h LEU 54 N 0.00 0.37 -0.97 5.20 4.07 -0.89 -1.15 115.31 121.95 2roq h LEU 54 Ca -0.00 -0.82 0.05 0.00 0.08 0.00 0.00 57.88 57.18 2roq h LEU 54 Cb 0.19 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.76 2roq h LEU 54 CO 0.01 1.15 0.63 0.00 -1.08 0.00 0.00 178.44 179.15 2roq h ALA 55 N 0.23 1.30 0.05 1.53 0.00 -0.17 0.29 119.26 122.49 2roq h ALA 55 Ca -0.07 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 55 Cb 1.25 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2roq h ALA 55 CO 0.09 0.47 -1.05 0.00 0.00 0.00 0.00 179.25 178.76 2roq h ALA 56 N 1.41 0.30 -0.06 0.00 0.00 -1.49 -2.23 119.26 117.19 2roq h ALA 56 Ca 0.40 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2roq h ALA 56 Cb 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2roq h ALA 56 CO -0.14 0.96 -0.05 0.37 0.00 0.00 0.00 179.25 180.40 2roq h GLN 57 N 0.10 0.14 -0.17 0.00 4.15 -0.59 -2.19 115.11 116.55 2roq h GLN 57 Ca -0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2roq h GLN 57 Cb 1.74 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 2roq h GLN 57 CO 0.17 0.55 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.54 2roq h LEU 58 N -0.27 0.31 -1.57 -2.39 3.38 -0.55 0.16 115.31 114.38 2roq h LEU 58 Ca 0.01 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2roq h LEU 58 Cb 0.52 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2roq h LEU 58 CO 0.01 0.57 0.41 0.77 0.09 0.00 0.00 178.44 180.29 2roq h SER 59 N 0.05 0.45 1.34 -0.43 4.64 -1.46 0.53 113.55 118.67 2roq h SER 59 Ca 0.05 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 2roq h SER 59 Cb 0.41 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2roq h SER 59 CO 0.01 0.28 -0.69 0.03 -0.87 0.00 0.00 176.83 175.59 2roq h ARG 60 N 0.50 0.00 0.00 4.77 2.47 -1.20 -0.42 114.38 120.50 2roq h ARG 60 Ca 0.28 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2roq h ARG 60 Cb 0.44 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2roq h ARG 60 CO -0.08 0.28 -0.72 1.96 0.56 0.00 0.00 179.97 181.98 2roq h GLN 61 N 0.00 0.00 -0.02 0.04 1.08 0.97 -3.30 115.11 113.89 2roq h GLN 61 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2roq h GLN 61 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2roq h GLN 61 CO 0.04 0.00 -0.20 1.33 -0.95 0.00 0.00 178.83 179.05 2roq n VAL 62 N -2.80 0.00 -1.42 -0.54 0.24 0.17 -4.96 118.33 109.02 2roq n VAL 62 Ca 0.01 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.77 2roq n VAL 62 Cb 0.54 1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 34.19 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 0.57 -0.21 -4.32 2.33 0.00 -1.00 -4.88 120.51 113.00 2roq n ALA 63 Ca 0.10 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 2roq n ALA 63 Cb 0.47 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.59 1.21 -3.84 0.00 3.00 -0.20 -5.02 116.66 109.20 2roq n ARG 64 Ca -0.14 -2.21 -0.30 0.00 -0.00 0.00 0.00 57.85 55.20 2roq n ARG 64 Cb 0.46 0.53 -0.14 0.00 0.00 0.00 0.00 32.46 33.30 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 -3.16 1.43 0.29 -0.14 -1.52 -1.26 -4.27 119.66 111.04 2roq s GLN 65 Ca 0.04 -2.01 -0.29 0.00 -1.95 0.00 0.00 55.36 51.14 2roq s GLN 65 Cb -0.00 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 29.95 2roq s GLN 65 CO 0.02 -1.07 1.15 0.54 -0.25 0.00 0.00 175.29 175.68 2roq s VAL 66 N 0.48 3.29 0.18 1.09 0.11 -1.26 -4.78 120.40 119.50 2roq s VAL 66 Ca 0.15 1.30 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 2roq s VAL 66 Cb -0.23 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 2roq s VAL 66 CO -0.05 0.31 0.00 1.07 -3.33 0.00 0.00 175.10 173.10 2roq n THR 67 N 1.11 0.00 0.17 5.04 5.66 -1.26 -4.96 114.28 120.04 2roq n THR 67 Ca -0.01 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.01 2roq n THR 67 Cb 0.44 0.00 0.30 0.00 -1.55 0.00 0.00 70.33 69.52 2roq n THR 67 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2roq h PRO 68 N 0.00 0.00 0.00 1.09 0.13 -1.97 -2.89 132.00 128.36 2roq h PRO 68 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2roq h PRO 68 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2roq h PRO 68 CO 0.00 0.45 0.00 0.78 -0.23 0.00 0.00 178.00 179.00 2roq h GLY 69 N 1.51 0.00 0.00 1.56 0.00 -1.93 -3.45 103.07 100.76 2roq h GLY 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 69 CO 0.06 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.42 2roq n GLN 70 N -2.39 0.00 0.00 4.80 0.00 -1.09 -3.59 117.38 115.11 2roq n GLN 70 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 2roq n GLN 70 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 30.27 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 0.00 0.00 -0.32 1.69 0.31 -1.26 -4.20 118.33 114.56 2roq n VAL 71 Ca 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 64.34 64.58 2roq n VAL 71 Cb 0.00 0.00 0.56 0.00 -0.91 0.00 0.00 33.84 33.49 2roq n VAL 71 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2roq h MET 72 N 0.00 0.30 0.00 5.55 2.86 -1.89 -2.11 114.93 119.63 2roq h MET 72 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2roq h MET 72 Cb 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2roq h MET 72 CO 0.00 0.20 -0.27 1.33 1.06 0.00 0.00 176.91 179.23 2roq n VAL 73 N -4.54 0.60 -0.05 -2.22 0.24 -1.26 -4.57 118.33 106.54 2roq n VAL 73 Ca 0.25 -0.71 -0.15 0.00 -2.04 0.00 0.00 64.34 61.69 2roq n VAL 73 Cb 0.95 0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.86 0.00 2.33 0.00 -1.43 -3.47 119.26 115.82 2roq h ALA 74 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 74 Cb 1.18 1.05 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2roq h ALA 74 CO 0.00 -1.08 0.00 0.43 0.00 0.00 0.00 179.25 178.60 2roq n SER 75 N -5.42 0.00 -3.75 0.00 7.64 -1.26 -4.93 113.62 105.91 2roq n SER 75 Ca -0.05 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.85 2roq n SER 75 Cb 0.37 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 2roq n SER 75 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2roq s THR 76 N 0.00 0.00 0.08 0.44 -1.32 -1.26 -4.81 115.64 108.77 2roq s THR 76 Ca 0.00 -0.20 -0.27 0.00 -1.21 0.00 0.00 61.69 60.01 2roq s THR 76 Cb 0.00 -2.70 -0.11 0.00 -1.51 0.00 0.00 72.50 68.17 2roq s THR 76 CO 0.00 0.00 1.44 0.58 -2.21 0.00 0.00 174.62 174.43 2roq h VAL 77 N 2.00 0.00 -0.42 5.08 2.07 -1.39 0.39 116.25 123.97 2roq h VAL 77 Ca -0.25 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.36 2roq h VAL 77 Cb 1.19 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2roq h VAL 77 CO 0.31 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.57 2roq h ALA 78 N -0.73 -0.18 -0.66 1.67 0.00 -1.32 0.15 119.26 118.19 2roq h ALA 78 Ca -0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2roq h ALA 78 Cb 0.59 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2roq h ALA 78 CO -0.24 -0.73 0.44 -0.22 0.00 0.00 0.00 179.25 178.50 2roq h LYS 79 N -0.25 0.64 -0.85 0.00 3.11 -1.73 -1.18 116.57 116.31 2roq h LYS 79 Ca 0.18 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.99 2roq h LYS 79 Cb 0.54 -0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 31.58 2roq h LYS 79 CO -0.56 0.43 0.56 1.25 -2.81 0.00 0.00 179.45 178.32 2roq h LEU 80 N 0.66 0.97 -0.50 5.20 7.12 0.26 -0.10 115.31 128.92 2roq h LEU 80 Ca 0.28 -0.02 -0.09 0.00 0.13 0.00 0.00 57.88 58.18 2roq h LEU 80 Cb 0.27 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 2roq h LEU 80 CO -0.09 0.70 -0.41 0.00 -0.13 0.00 0.00 178.44 178.51 2roq h ALA 81 N 1.47 0.84 -0.00 1.25 0.00 -0.48 -2.12 119.26 120.22 2roq h ALA 81 Ca 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2roq h ALA 81 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2roq h ALA 81 CO -0.07 0.51 -0.31 0.25 0.00 0.00 0.00 179.25 179.63 2roq n THR 82 N -3.35 0.00 0.37 0.00 -2.24 -0.58 0.68 114.28 109.16 2roq n THR 82 Ca 0.01 -0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2roq n THR 82 Cb 0.61 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 2roq n THR 82 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2roq n ILE 83 N -1.45 0.00 -0.14 2.28 -5.35 -0.16 -2.24 119.36 112.30 2roq n ILE 83 Ca 0.07 -0.24 -0.26 0.00 -0.27 0.00 0.00 62.75 62.04 2roq n ILE 83 Cb 0.33 0.65 -0.11 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.60 1.52 0.03 7.28 -5.35 -0.81 -4.85 119.36 115.58 2roq n ILE 84 Ca 0.00 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2roq n ILE 84 Cb 0.28 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.43 2roq n ILE 84 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2roq n ASP 85 N -3.96 0.33 -3.10 7.28 -0.08 -0.96 -4.69 116.55 111.37 2roq n ASP 85 Ca -0.52 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 2roq n ASP 85 Cb 0.92 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.32 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq n ALA 86 N -3.14 0.00 -3.00 -1.67 0.00 0.21 -4.96 120.51 107.96 2roq n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2roq n ALA 86 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2roq n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2roq n GLU 87 N -0.33 0.00 -3.27 0.00 2.13 -0.95 -4.03 120.64 114.20 2roq n GLU 87 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2roq n GLU 87 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 2roq n GLU 87 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2roq n GLU 88 N 0.00 -2.12 -0.89 5.31 -0.58 -1.26 -4.78 120.64 116.32 2roq n GLU 88 Ca 0.00 0.88 -0.32 0.00 -0.42 0.00 0.00 57.16 57.30 2roq n GLU 88 Cb 0.00 -5.71 0.15 0.00 -0.57 0.00 0.00 31.44 25.30 2roq n GLU 88 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2roq s ASP 89 N -3.37 3.23 0.09 1.62 -4.77 -1.26 -4.95 116.67 107.27 2roq s ASP 89 Ca 0.43 2.27 0.15 0.00 -3.30 0.00 0.00 52.55 52.10 2roq s ASP 89 Cb -0.06 -2.58 -0.12 0.00 -1.09 0.00 0.00 42.92 39.07 2roq s ASP 89 CO 0.75 -2.90 0.96 0.28 0.70 0.00 0.00 175.17 174.95 2roq h SER 90 N -1.43 0.00 -4.89 2.11 0.02 -1.94 -3.49 113.55 103.93 2roq h SER 90 Ca -0.44 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.28 2roq h SER 90 Cb 1.28 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.97 2roq h SER 90 CO 0.44 0.66 -0.64 0.41 -1.14 0.00 0.00 176.83 176.55 2roq n THR 91 N -3.01 -6.08 0.00 -2.27 -1.04 -1.26 -4.93 114.28 95.68 2roq n THR 91 Ca -0.08 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.05 61.08 2roq n THR 91 Cb 0.86 -5.12 -0.06 0.00 -1.82 0.00 0.00 70.33 64.18 2roq n THR 91 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2roq h ARG 92 N -1.16 -0.47 -1.03 -2.82 3.08 -1.92 -3.46 114.38 106.60 2roq h ARG 92 Ca -0.47 0.03 0.24 0.00 0.07 0.00 0.00 59.98 59.86 2roq h ARG 92 Cb 1.25 0.11 -0.29 0.00 0.08 0.00 0.00 29.97 31.12 2roq h ARG 92 CO 0.37 -0.31 0.97 -0.98 -1.07 0.00 0.00 179.97 178.95 2roq s ARG 93 N -5.90 0.03 -0.29 0.04 1.70 -1.26 -5.17 118.95 108.09 2roq s ARG 93 Ca -0.15 0.01 -0.16 0.00 -0.47 0.00 0.00 55.73 54.96 2roq s ARG 93 Cb 0.09 0.01 0.16 0.00 -0.57 0.00 0.00 34.95 34.65 2roq s ARG 93 CO 0.64 -0.01 1.02 0.00 -1.08 0.00 0.00 175.30 175.88 2roq s MET 94 N -0.87 0.30 -0.93 3.89 0.23 -1.26 -4.73 119.30 115.93 2roq s MET 94 Ca 0.09 0.59 -0.01 0.00 -1.03 0.00 0.00 55.69 55.33 2roq s MET 94 Cb -0.02 0.18 0.33 0.00 -1.53 0.00 0.00 34.83 33.80 2roq s MET 94 CO -0.10 -0.08 1.85 0.41 -2.03 0.00 0.00 175.02 175.08 2roq n GLY 95 N 4.07 5.90 2.33 3.16 0.00 -1.21 -4.78 105.19 114.66 2roq n GLY 95 Ca -0.15 -2.56 -0.14 0.00 0.00 0.00 0.00 46.02 43.17 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 -0.25 -1.04 -2.54 1.61 7.35 -1.26 -0.11 117.46 121.22 2roq n PHE 96 Ca 0.49 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 57.02 2roq n PHE 96 Cb 0.26 -2.92 0.01 0.00 0.35 0.00 0.00 39.48 37.18 2roq n PHE 96 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2roq n GLU 97 N -2.59 -2.35 0.02 -4.13 4.71 -1.26 -4.87 120.64 110.16 2roq n GLU 97 Ca -0.16 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 2roq n GLU 97 Cb 0.58 -5.07 0.00 0.00 -1.01 0.00 0.00 31.44 25.94 2roq n GLU 97 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2roq n THR 98 N -4.09 0.24 -3.75 2.62 -2.24 0.85 -4.23 114.28 103.68 2roq n THR 98 Ca -0.14 0.08 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 2roq n THR 98 Cb 0.62 -1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 67.39 2roq n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2roq s ILE 99 N -2.00 0.58 -0.11 2.28 -1.09 -1.10 -2.07 121.20 117.68 2roq s ILE 99 Ca 0.00 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 2roq s ILE 99 Cb 0.00 -1.08 0.01 0.00 -1.58 0.00 0.00 42.46 39.81 2roq s ILE 99 CO 0.00 -0.21 -0.19 -0.76 -1.23 0.00 0.00 174.94 172.55 2roq s LEU 100 N 1.83 1.91 -0.58 2.97 1.02 -1.26 -3.32 118.68 121.25 2roq s LEU 100 Ca -0.01 -0.49 -0.27 0.00 0.02 0.00 0.00 54.13 53.38 2roq s LEU 100 Cb -0.17 -1.24 -0.02 0.00 0.02 0.00 0.00 46.19 44.78 2roq s LEU 100 CO -0.08 0.07 1.85 -2.16 0.02 0.00 0.00 176.35 176.05 2roq s PRO 101 N 0.75 2.70 0.07 1.29 0.04 -1.26 -4.50 135.00 134.09 2roq s PRO 101 Ca -0.10 0.69 0.25 0.00 0.04 0.00 0.00 61.00 61.87 2roq s PRO 101 Cb -0.16 -4.37 1.01 0.00 0.04 0.00 0.00 34.50 31.02 2roq s PRO 101 CO 0.01 -2.64 1.79 1.28 0.04 0.00 0.00 177.00 177.48 2roq n LEU 102 N 12.50 0.25 -3.15 -3.56 4.77 -1.21 -4.59 117.00 122.00 2roq n LEU 102 Ca 0.21 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.76 2roq n LEU 102 Cb 0.52 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2roq n LEU 102 CO 0.71 -0.13 0.17 -0.13 -1.33 0.00 0.00 177.39 176.67 2roq s ARG 103 N -3.05 0.52 -0.25 3.23 3.00 -0.98 -4.90 118.95 116.51 2roq s ARG 103 Ca 0.11 0.67 -0.03 0.00 0.00 0.00 0.00 55.73 56.48 2roq s ARG 103 Cb 0.15 0.34 0.10 0.00 0.00 0.00 0.00 34.95 35.54 2roq s ARG 103 CO 0.49 -0.81 0.17 -2.00 0.00 0.00 0.00 175.30 173.15 2roq s GLU 104 N 2.85 0.19 0.00 3.54 2.12 -1.26 -0.08 118.70 126.06 2roq s GLU 104 Ca 0.14 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2roq s GLU 104 Cb -0.11 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.07 2roq s GLU 104 CO -0.23 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.02 2roq n GLY 105 N 5.28 0.00 0.00 -1.50 0.00 -1.26 -5.05 105.19 102.66 2roq n GLY 105 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.65 0.00 1.61 4.13 -1.26 -5.01 115.26 117.38 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 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 2.59 1.04 3.59 7.41 0.00 -1.26 -4.90 105.19 113.67 2roq n GLY 107 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 3.24 -0.20 1.61 0.04 -1.26 -4.79 135.00 133.64 2roq s PRO 108 Ca 0.00 1.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 2roq s PRO 108 Cb 0.00 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 2roq s PRO 108 CO 0.00 -1.98 0.67 -0.08 0.04 0.00 0.00 177.00 175.65 2roq s THR 109 N 7.04 4.99 -0.40 1.26 -1.32 -1.26 -1.64 115.64 124.31 2roq s THR 109 Ca 0.73 1.27 -0.11 0.00 -1.21 0.00 0.00 61.69 62.37 2roq s THR 109 Cb -0.19 -3.98 0.05 0.00 -1.51 0.00 0.00 72.50 66.87 2roq s THR 109 CO 0.31 0.08 0.24 -0.22 -2.21 0.00 0.00 174.62 172.81 2roq s LEU 110 N 2.06 4.91 -0.70 9.08 2.96 0.11 -4.03 118.68 133.07 2roq s LEU 110 Ca 0.30 -1.18 -0.26 0.00 -0.22 0.00 0.00 54.13 52.78 2roq s LEU 110 Cb -0.16 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.55 2roq s LEU 110 CO 0.10 -0.45 1.17 -0.36 -1.32 0.00 0.00 176.35 175.49 2roq s PHE 111 N 1.52 2.43 -0.29 5.38 0.08 0.73 -0.26 117.98 127.57 2roq s PHE 111 Ca 0.02 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 2roq s PHE 111 Cb -0.21 -4.50 0.01 0.00 -0.57 0.00 0.00 43.02 37.75 2roq s PHE 111 CO 0.05 -1.90 1.05 0.00 -0.10 0.00 0.00 175.22 174.32 2roq s PHE 113 N 3.49 2.41 0.24 0.00 5.36 -0.97 -1.99 117.98 126.52 2roq s PHE 113 Ca 0.44 1.59 -0.31 0.00 -0.96 0.00 0.00 56.93 57.69 2roq s PHE 113 Cb -0.13 -3.18 -0.14 0.00 -0.34 0.00 0.00 43.02 39.23 2roq s PHE 113 CO 0.13 -1.98 1.37 1.58 -1.46 0.00 0.00 175.22 174.86 2roq n HIS 114 N -3.07 2.05 -0.43 10.12 -0.00 -1.26 -4.76 115.22 117.87 2roq n HIS 114 Ca 0.10 0.47 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 2roq n HIS 114 Cb 0.52 -2.43 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2roq n PRO 115 N 1.92 -0.80 0.08 1.57 -0.04 -1.26 -4.57 135.00 131.89 2roq n PRO 115 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 2roq n PRO 115 Cb 0.31 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.68 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq h ALA 116 N -2.00 -0.91 -1.49 0.55 0.00 -1.91 -3.44 119.26 110.06 2roq h ALA 116 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2roq h ALA 116 Cb 0.00 0.89 -0.21 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 116 CO 0.00 -1.09 -0.02 -1.12 0.00 0.00 0.00 179.25 177.03 2roq s SER 117 N -4.72 -0.95 0.00 0.00 0.01 -1.26 -4.68 113.70 102.09 2roq s SER 117 Ca -0.16 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2roq s SER 117 Cb 0.07 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.34 2roq s SER 117 CO 0.62 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2roq n GLY 118 N 5.29 0.08 1.41 3.44 0.00 -1.26 -4.88 105.19 109.26 2roq n GLY 118 Ca -0.10 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 2roq n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2roq n PHE 119 N 0.00 0.20 -1.14 1.61 3.72 -1.26 -4.59 117.46 116.00 2roq n PHE 119 Ca 0.00 -1.05 -0.03 0.00 -0.05 0.00 0.00 57.45 56.32 2roq n PHE 119 Cb 0.00 -0.05 0.26 0.00 -0.94 0.00 0.00 39.48 38.75 2roq n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2roq n ALA 120 N -2.26 4.15 0.93 4.37 0.00 -1.26 -4.38 120.51 122.06 2roq n ALA 120 Ca -0.07 -2.55 0.12 0.00 0.00 0.00 0.00 53.44 50.93 2roq n ALA 120 Cb 0.25 -1.00 0.27 0.00 0.00 0.00 0.00 19.45 18.98 2roq n ALA 120 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2roq n TRP 121 N -0.53 0.20 0.29 0.00 8.01 -1.26 -3.90 117.44 120.24 2roq n TRP 121 Ca 0.35 -0.10 0.04 0.00 -1.31 0.00 0.00 57.50 56.47 2roq n TRP 121 Cb 1.19 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.53 2roq n TRP 121 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 2roq n GLN 122 N 0.95 0.16 0.00 -0.99 7.27 -1.26 -4.45 117.38 119.06 2roq n GLN 122 Ca 0.17 -0.98 0.15 0.00 0.07 0.00 0.00 57.00 56.41 2roq n GLN 122 Cb 0.50 -1.14 0.85 0.00 2.41 0.00 0.00 30.24 32.85 2roq n GLN 122 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2roq n PHE 123 N 0.40 0.00 -0.03 3.69 7.35 -1.25 -3.65 117.46 123.97 2roq n PHE 123 Ca 0.04 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.87 2roq n PHE 123 Cb 0.19 -0.11 0.55 0.00 0.35 0.00 0.00 39.48 40.47 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2roq h SER 124 N 0.00 0.26 -0.68 -2.13 4.64 -1.80 -0.85 113.55 112.99 2roq h SER 124 Ca 0.00 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2roq h SER 124 Cb 0.10 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2roq h SER 124 CO 0.00 0.16 0.42 1.62 -0.87 0.00 0.00 176.83 178.16 2roq h VAL 125 N 0.29 1.08 0.02 0.95 3.04 -1.92 0.40 116.25 120.11 2roq h VAL 125 Ca 0.25 -0.28 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 2roq h VAL 125 Cb 0.58 0.18 0.01 0.00 -2.01 0.00 0.00 31.29 30.05 2roq h VAL 125 CO -0.05 0.15 -0.28 0.25 -1.01 0.00 0.00 177.57 176.62 2roq h LEU 126 N 0.83 0.22 -2.80 3.16 6.46 -1.53 -1.26 115.31 120.38 2roq h LEU 126 Ca 0.28 -0.83 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2roq h LEU 126 Cb 0.03 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2roq h LEU 126 CO -0.11 1.03 0.03 -1.28 -0.62 0.00 0.00 178.44 177.49 2roq h SER 127 N -0.56 0.00 0.00 1.25 0.87 -1.09 0.88 113.55 114.90 2roq h SER 127 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2roq h SER 127 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2roq h SER 127 CO 0.05 0.00 -1.48 -1.14 -0.53 0.00 0.00 176.83 173.74 2roq n ARG 128 N -3.01 0.65 -0.09 2.24 0.00 0.12 -1.74 116.66 114.84 2roq n ARG 128 Ca -0.03 -0.10 -0.12 0.00 -0.00 0.00 0.00 57.85 57.59 2roq n ARG 128 Cb 0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 32.46 31.08 2roq n ARG 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2roq n TYR 129 N -1.88 0.00 -0.10 -0.14 4.02 0.12 -4.49 117.16 114.69 2roq n TYR 129 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 2roq n TYR 129 Cb 0.42 -0.57 -0.01 0.00 -0.02 0.00 0.00 39.34 39.16 2roq n TYR 129 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2roq h LEU 130 N -0.96 -0.91 0.00 7.72 6.46 0.44 -3.44 115.31 124.61 2roq h LEU 130 Ca -0.13 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2roq h LEU 130 Cb 1.08 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 41.45 2roq h LEU 130 CO -0.08 -0.29 0.00 0.47 -0.62 0.00 0.00 178.44 177.92 2roq n ASP 131 N -5.40 0.00 0.00 1.25 8.00 -1.25 -4.59 116.55 114.55 2roq n ASP 131 Ca 0.01 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.58 2roq n ASP 131 Cb 0.32 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.80 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2roq n PRO 132 N 0.00 0.23 -0.00 -0.24 -0.04 -0.71 -2.41 135.00 131.83 2roq n PRO 132 Ca 0.00 0.13 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 2roq n PRO 132 Cb 0.00 -1.50 0.87 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.26 1.07 -4.57 0.54 6.02 -1.26 -4.83 117.38 113.09 2roq n GLN 133 Ca 0.07 -0.10 -0.27 0.00 -0.01 0.00 0.00 57.00 56.70 2roq n GLN 133 Cb 0.11 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.79 2roq n GLN 133 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2roq s TRP 134 N -2.00 2.43 0.29 1.08 0.23 -1.01 -4.74 118.94 115.22 2roq s TRP 134 Ca 0.45 -0.59 -0.28 0.00 -2.03 0.00 0.00 56.10 53.66 2roq s TRP 134 Cb 0.21 -1.55 -0.09 0.00 0.03 0.00 0.00 33.47 32.07 2roq s TRP 134 CO 0.35 0.51 0.95 0.45 0.96 0.00 0.00 176.95 180.17 2roq s SER 135 N -3.65 7.45 -0.04 2.95 0.15 -0.65 -4.82 113.70 115.09 2roq s SER 135 Ca 0.34 1.90 -0.11 0.00 0.70 0.00 0.00 55.95 58.78 2roq s SER 135 Cb 0.06 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2roq s SER 135 CO 0.17 0.01 0.24 -0.63 1.20 0.00 0.00 173.24 174.24 2roq s ILE 136 N -1.43 0.04 -0.17 6.45 1.01 0.89 0.07 121.20 128.06 2roq s ILE 136 Ca 0.46 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 2roq s ILE 136 Cb -0.22 -0.47 0.08 0.00 0.01 0.00 0.00 42.46 41.86 2roq s ILE 136 CO 0.28 -0.20 0.22 -0.63 0.00 0.00 0.00 174.94 174.60 2roq s ILE 137 N -0.80 -0.33 -0.22 2.92 1.01 0.64 -2.33 121.20 122.10 2roq s ILE 137 Ca -0.09 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 2roq s ILE 137 Cb -0.05 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2roq s ILE 137 CO 0.02 -0.09 0.11 -0.83 0.00 0.00 0.00 174.94 174.15 2roq s GLY 138 N 2.33 1.92 0.20 6.18 0.00 -1.26 0.07 107.32 116.75 2roq s GLY 138 Ca 0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 2roq s GLY 138 CO -0.10 0.29 1.01 -0.42 0.00 0.00 0.00 173.10 173.88 2roq s ILE 139 N 0.89 4.04 0.23 0.90 -1.09 -0.84 -4.52 121.20 120.81 2roq s ILE 139 Ca 0.05 1.86 -0.11 0.00 -2.23 0.00 0.00 60.65 60.23 2roq s ILE 139 Cb -0.13 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.55 2roq s ILE 139 CO 0.03 0.37 0.42 0.00 -1.23 0.00 0.00 174.94 174.52 2roq s GLN 140 N -0.69 1.46 -0.30 2.79 1.03 -0.88 -4.11 119.66 118.97 2roq s GLN 140 Ca 0.45 -1.28 -0.05 0.00 0.04 0.00 0.00 55.36 54.53 2roq s GLN 140 Cb -0.27 0.44 0.19 0.00 0.03 0.00 0.00 33.01 33.39 2roq s GLN 140 CO 0.34 -0.59 0.78 -1.54 -2.54 0.00 0.00 175.29 171.74 2roq s SER 141 N -3.03 -1.04 -0.52 12.60 1.04 -1.26 -4.43 113.70 117.07 2roq s SER 141 Ca 0.24 0.54 -0.27 0.00 0.48 0.00 0.00 55.95 56.93 2roq s SER 141 Cb 0.01 1.83 -0.02 0.00 0.10 0.00 0.00 66.02 67.94 2roq s SER 141 CO 0.08 -0.19 1.80 -2.16 0.98 0.00 0.00 173.24 173.75 2roq s PRO 142 N 2.89 2.91 -0.37 4.02 0.04 -1.26 -4.94 135.00 138.28 2roq s PRO 142 Ca 0.13 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2roq s PRO 142 Cb -0.12 -4.30 0.11 0.00 0.04 0.00 0.00 34.50 30.23 2roq s PRO 142 CO -0.18 -2.39 0.14 1.03 0.04 0.00 0.00 177.00 175.64 2roq s ARG 143 N 6.48 1.20 0.53 4.56 0.52 -1.26 -4.96 118.95 126.02 2roq s ARG 143 Ca 0.70 -1.70 0.33 0.00 -0.52 0.00 0.00 55.73 54.55 2roq s ARG 143 Cb -0.15 -2.55 1.38 0.00 0.52 0.00 0.00 34.95 34.16 2roq s ARG 143 CO 0.25 -1.03 1.98 -1.00 0.02 0.00 0.00 175.30 175.52 2roq h PRO 144 N 7.44 0.00 0.00 3.54 0.13 -1.98 -3.21 132.00 137.92 2roq h PRO 144 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 2roq h PRO 144 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2roq h PRO 144 CO 0.51 0.00 -1.29 0.09 -0.23 0.00 0.00 178.00 177.08 2roq n ASN 145 N -3.02 3.82 -3.20 1.44 4.13 -1.26 -4.81 115.26 112.36 2roq n ASN 145 Ca 0.01 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.19 2roq n ASN 145 Cb 0.29 0.85 0.02 0.00 -1.54 0.00 0.00 39.78 39.40 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 146 N 2.52 -1.21 0.07 7.41 0.00 -1.22 -4.95 105.19 107.81 2roq n GLY 146 Ca -0.05 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.17 0.06 0.00 1.61 0.13 -1.97 -3.29 132.00 128.38 2roq h PRO 147 Ca -0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2roq h PRO 147 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2roq h PRO 147 CO 0.35 0.54 -0.80 -1.33 -0.23 0.00 0.00 178.00 176.53 2roq n MET 148 N -4.80 0.06 0.04 0.86 2.81 -1.26 -4.00 117.12 110.82 2roq n MET 148 Ca -0.08 -0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.89 2roq n MET 148 Cb 0.27 -1.52 0.35 0.00 -0.71 0.00 0.00 33.22 31.61 2roq n MET 148 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2roq n GLN 149 N -1.59 0.05 0.48 0.03 0.00 -1.24 -0.07 117.38 115.04 2roq n GLN 149 Ca 0.04 0.31 -0.19 0.00 -0.00 0.00 0.00 57.00 57.17 2roq n GLN 149 Cb 0.35 -1.60 -0.09 0.00 0.00 0.00 0.00 30.24 28.90 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2roq h THR 150 N 0.00 0.00 0.00 1.69 1.35 -1.69 -3.37 112.91 110.89 2roq h THR 150 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2roq h THR 150 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 2roq h THR 150 CO 0.00 0.00 -0.44 0.00 -0.25 0.00 0.00 175.52 174.83 2roq n ALA 151 N -2.65 1.22 1.50 6.62 0.00 -1.22 -4.73 120.51 121.25 2roq n ALA 151 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 2roq n ALA 151 Cb 0.48 0.07 0.21 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.96 2.50 -0.15 0.00 0.00 0.28 -4.14 120.51 118.04 2roq n ALA 152 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 2roq n ALA 152 Cb 0.13 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 1.06 0.06 0.20 0.00 -1.07 -0.65 0.24 115.58 115.43 2roq h ASN 153 Ca 0.00 0.08 -0.08 0.00 0.07 0.00 0.00 56.30 56.36 2roq h ASN 153 Cb 0.24 0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 36.57 2roq h ASN 153 CO 0.00 0.06 -0.32 -0.07 0.07 0.00 0.00 177.43 177.17 2roq h LEU 154 N 0.27 0.19 -0.00 6.14 3.38 -1.87 -1.58 115.31 121.83 2roq h LEU 154 Ca 0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2roq h LEU 154 Cb 0.30 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2roq h LEU 154 CO -0.29 0.51 -0.00 -0.78 0.09 0.00 0.00 178.44 177.96 2roq h ASP 155 N 0.17 0.01 0.34 -0.43 3.58 -1.42 -2.13 116.42 116.54 2roq h ASP 155 Ca 0.02 -0.52 -0.02 0.00 0.42 0.00 0.00 57.03 56.94 2roq h ASP 155 Cb 0.66 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2roq h ASP 155 CO 0.05 0.53 -0.16 -0.08 -2.88 0.00 0.00 179.24 176.69 2roq h GLU 156 N -0.51 -0.44 -0.21 0.28 4.81 -0.53 -1.44 114.58 116.54 2roq h GLU 156 Ca 0.00 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2roq h GLU 156 Cb 0.52 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2roq h GLU 156 CO 0.00 -0.25 0.18 -0.39 -0.73 0.00 0.00 179.01 177.82 2roq h VAL 157 N -0.52 0.67 0.13 0.32 -1.51 -1.39 -1.17 116.25 112.78 2roq h VAL 157 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.42 2roq h VAL 157 Cb 0.39 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2roq h VAL 157 CO 0.08 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.35 2roq h GLU 159 N -0.82 -0.90 -0.27 0.00 4.39 -0.79 -1.64 114.58 114.54 2roq h GLU 159 Ca -0.02 0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2roq h GLU 159 Cb 0.54 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 2roq h GLU 159 CO 0.03 -0.60 -0.19 0.00 -1.16 0.00 0.00 179.01 177.09 2roq h ALA 160 N -0.63 -0.02 -0.67 3.43 0.00 -1.37 0.36 119.26 120.37 2roq h ALA 160 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2roq h ALA 160 Cb 0.75 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2roq h ALA 160 CO 0.10 -0.60 0.00 1.58 0.00 0.00 0.00 179.25 180.32 2roq n HIS 161 N -5.35 0.00 -0.28 0.00 -0.00 -0.80 -1.54 115.22 107.25 2roq n HIS 161 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.81 2roq n HIS 161 Cb 0.26 -0.39 0.25 0.00 -0.00 0.00 0.00 29.99 30.11 2roq n HIS 161 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2roq h LEU 162 N 0.00 0.16 -0.24 0.27 -0.00 -1.24 0.25 115.31 114.51 2roq h LEU 162 Ca 0.00 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 58.07 2roq h LEU 162 Cb 0.00 0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 40.78 2roq h LEU 162 CO 0.00 -0.03 -0.43 0.00 -0.00 0.00 0.00 178.44 177.98 2roq h ALA 163 N 1.67 -0.72 0.00 1.53 0.00 0.05 0.13 119.26 121.92 2roq h ALA 163 Ca 0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2roq h ALA 163 Cb 0.90 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2roq h ALA 163 CO -0.53 -0.91 -0.18 0.00 0.00 0.00 0.00 179.25 177.63 2roq h THR 164 N -0.36 0.81 0.49 0.00 1.03 -0.52 -1.82 112.91 112.54 2roq h THR 164 Ca 0.04 -0.69 -0.02 0.00 -0.01 0.00 0.00 66.41 65.73 2roq h THR 164 Cb 0.49 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2roq h THR 164 CO -0.41 0.17 -0.24 -0.07 -0.01 0.00 0.00 175.52 174.96 2roq h LEU 165 N 0.00 -0.56 -0.71 0.00 4.07 0.11 -2.08 115.31 116.14 2roq h LEU 165 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2roq h LEU 165 Cb 0.40 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2roq h LEU 165 CO 0.02 -0.35 0.00 0.18 -1.08 0.00 0.00 178.44 177.21 2roq n LEU 166 N -4.02 0.47 -0.03 1.67 7.99 0.24 -0.07 117.00 123.26 2roq n LEU 166 Ca -0.08 0.65 -0.15 0.00 -0.01 0.00 0.00 56.01 56.42 2roq n LEU 166 Cb 0.26 -0.62 -0.10 0.00 -0.11 0.00 0.00 43.42 42.84 2roq n LEU 166 CO 0.20 -0.61 0.41 -0.33 -1.51 0.00 0.00 177.39 175.55 2roq h GLU 167 N 0.00 0.28 0.00 3.23 3.07 -1.12 -2.13 114.58 117.90 2roq h GLU 167 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2roq h GLU 167 Cb 0.21 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2roq h GLU 167 CO 0.00 0.92 -1.27 0.94 -1.40 0.00 0.00 179.01 178.20 2roq n GLN 168 N -4.45 0.52 -2.94 2.33 0.00 -0.80 -4.67 117.38 107.37 2roq n GLN 168 Ca -0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.79 2roq n GLN 168 Cb 0.51 -1.68 -0.02 0.00 0.00 0.00 0.00 30.24 29.06 2roq n GLN 168 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2roq n GLN 169 N -2.35 0.52 0.06 3.69 7.27 0.91 -4.98 117.38 122.49 2roq n GLN 169 Ca -0.00 -2.35 0.09 0.00 0.07 0.00 0.00 57.00 54.80 2roq n GLN 169 Cb 0.52 -1.49 0.39 0.00 2.41 0.00 0.00 30.24 32.07 2roq n GLN 169 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2roq n PRO 170 N 2.54 0.09 -3.67 3.69 -0.04 -0.80 -4.03 135.00 132.78 2roq n PRO 170 Ca 0.19 0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.90 2roq n PRO 170 Cb 0.55 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 2roq n PRO 170 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2roq s HIS 171 N -3.15 -0.84 0.00 0.54 -3.43 -1.26 -4.94 115.29 102.21 2roq s HIS 171 Ca 0.06 1.75 0.00 0.00 -0.80 0.00 0.00 55.06 56.06 2roq s HIS 171 Cb 0.09 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2roq s HIS 171 CO 0.32 -0.44 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2roq n GLY 172 N 4.17 1.42 3.61 -1.38 0.00 -1.26 -5.05 105.19 106.70 2roq n GLY 172 Ca -0.21 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.21 3.54 -0.07 1.61 0.04 -1.26 -4.69 135.00 132.97 2roq s PRO 173 Ca 0.00 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2roq s PRO 173 Cb 0.00 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2roq s PRO 173 CO 0.00 -1.60 0.28 0.71 0.04 0.00 0.00 177.00 176.43 2roq s TYR 174 N 6.02 3.63 -0.20 0.56 2.02 -1.26 -4.77 117.35 123.35 2roq s TYR 174 Ca 0.74 0.74 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 2roq s TYR 174 Cb -0.22 -2.16 0.05 0.00 -0.40 0.00 0.00 41.96 39.23 2roq s TYR 174 CO 0.32 0.61 -0.09 0.71 -1.57 0.00 0.00 175.55 175.54 2roq s TYR 175 N -0.80 2.29 0.27 2.71 1.51 -1.26 -2.02 117.35 120.06 2roq s TYR 175 Ca 0.19 -1.53 0.03 0.00 -1.01 0.00 0.00 57.07 54.75 2roq s TYR 175 Cb -0.14 -1.57 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2roq s TYR 175 CO 0.08 -0.73 0.04 -0.48 -1.11 0.00 0.00 175.55 173.35 2roq s LEU 176 N 1.44 2.07 0.11 -1.29 2.34 -1.21 -0.19 118.68 121.94 2roq s LEU 176 Ca -0.02 -1.31 -0.00 0.00 0.06 0.00 0.00 54.13 52.86 2roq s LEU 176 Cb -0.16 -0.26 -0.04 0.00 -0.56 0.00 0.00 46.19 45.17 2roq s LEU 176 CO -0.08 -0.59 0.01 -0.76 -1.06 0.00 0.00 176.35 173.87 2roq s LEU 177 N -3.38 2.12 0.22 1.48 1.02 -1.21 -0.11 118.68 118.82 2roq s LEU 177 Ca 0.34 -1.12 0.02 0.00 0.02 0.00 0.00 54.13 53.39 2roq s LEU 177 Cb 0.07 0.17 -0.05 0.00 0.02 0.00 0.00 46.19 46.40 2roq s LEU 177 CO 0.12 -0.64 0.03 -0.83 0.02 0.00 0.00 176.35 175.06 2roq s GLY 178 N -3.03 1.49 -0.13 -3.19 0.00 0.82 -2.29 107.32 100.99 2roq s GLY 178 Ca 0.18 -1.74 -0.08 0.00 0.00 0.00 0.00 44.72 43.09 2roq s GLY 178 CO -0.02 -1.60 0.32 -0.19 0.00 0.00 0.00 173.10 171.61 2roq s TYR 179 N -3.60 -0.44 0.00 1.90 1.51 -1.26 -0.01 117.35 115.45 2roq s TYR 179 Ca 0.30 0.99 0.00 0.00 -1.01 0.00 0.00 57.07 57.34 2roq s TYR 179 Cb 0.06 0.14 0.00 0.00 -0.11 0.00 0.00 41.96 42.06 2roq s TYR 179 CO 0.08 -0.27 0.00 0.43 -1.11 0.00 0.00 175.55 174.69 2roq n SER 180 N 4.08 0.00 -0.37 2.29 7.64 -0.72 -1.84 113.62 124.70 2roq n SER 180 Ca -0.23 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.77 2roq n SER 180 Cb 0.54 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.02 2roq n SER 180 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2roq n LEU 181 N 0.00 1.44 -0.10 -3.43 7.94 -1.26 -4.07 117.00 117.52 2roq n LEU 181 Ca 0.00 -0.46 0.27 0.00 -1.11 0.00 0.00 56.01 54.71 2roq n LEU 181 Cb 0.00 -0.07 0.70 0.00 0.53 0.00 0.00 43.42 44.58 2roq n LEU 181 CO 0.00 0.26 1.24 1.23 -1.11 0.00 0.00 177.39 179.02 2roq h GLY 182 N 4.89 0.00 0.14 -3.96 0.00 -1.63 -2.04 103.07 100.47 2roq h GLY 182 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 0.00 -0.19 -1.33 0.00 0.00 0.00 176.54 175.02 2roq h GLY 183 N 0.00 -0.99 1.02 4.60 0.00 -1.81 0.44 103.07 106.32 2roq h GLY 183 Ca 0.37 0.45 -0.09 0.00 0.00 0.00 0.00 47.33 48.06 2roq h GLY 183 CO -0.00 -0.33 -0.05 -0.91 0.00 0.00 0.00 176.54 175.25 2roq h THR 184 N -0.34 1.27 0.42 4.70 1.35 -1.80 -2.13 112.91 116.38 2roq h THR 184 Ca -0.02 -1.15 -0.02 0.00 -0.55 0.00 0.00 66.41 64.68 2roq h THR 184 Cb 0.30 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2roq h THR 184 CO -0.05 0.40 -0.29 -0.07 -0.25 0.00 0.00 175.52 175.26 2roq h LEU 185 N 0.72 -0.76 -0.85 3.87 -0.00 -1.34 -2.08 115.31 114.88 2roq h LEU 185 Ca 0.13 0.05 0.16 0.00 -0.00 0.00 0.00 57.88 58.22 2roq h LEU 185 Cb 0.58 0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 41.37 2roq h LEU 185 CO 0.03 -0.43 0.41 0.00 -0.00 0.00 0.00 178.44 178.45 2roq h ALA 186 N -1.41 1.29 -0.17 1.53 0.00 -0.19 -1.65 119.26 118.67 2roq h ALA 186 Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2roq h ALA 186 Cb 0.55 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2roq h ALA 186 CO 0.03 -0.17 -0.31 1.96 0.00 0.00 0.00 179.25 180.77 2roq h GLN 187 N 0.55 -0.35 -0.86 0.00 4.20 -1.15 0.24 115.11 117.74 2roq h GLN 187 Ca 0.48 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.22 2roq h GLN 187 Cb 0.75 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 2roq h GLN 187 CO -0.41 -0.23 0.56 0.78 -0.67 0.00 0.00 178.83 178.86 2roq h GLY 188 N -0.36 1.21 0.77 3.46 0.00 -0.61 -2.08 103.07 105.46 2roq h GLY 188 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2roq h GLY 188 CO -0.37 0.45 0.01 -2.22 0.00 0.00 0.00 176.54 174.41 2roq h ILE 189 N 1.16 1.22 -0.36 2.60 2.04 -0.58 -1.65 117.51 121.95 2roq h ILE 189 Ca 0.31 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2roq h ILE 189 Cb -0.13 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2roq h ILE 189 CO -0.07 0.19 0.06 0.00 0.00 0.00 0.00 178.15 178.33 2roq h ALA 190 N 0.77 0.37 -0.48 1.87 0.00 -0.32 -1.45 119.26 120.02 2roq h ALA 190 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2roq h ALA 190 Cb 0.29 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2roq h ALA 190 CO 0.00 -0.34 0.18 0.00 0.00 0.00 0.00 179.25 179.09 2roq h ALA 191 N 1.27 1.43 -0.86 0.00 0.00 -1.34 -2.01 119.26 117.75 2roq h ALA 191 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2roq h ALA 191 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2roq h ALA 191 CO -0.23 0.43 0.43 -0.09 0.00 0.00 0.00 179.25 179.79 2roq h ARG 192 N 0.68 1.23 0.16 0.00 9.65 -0.29 -2.10 114.38 123.70 2roq h ARG 192 Ca 0.16 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2roq h ARG 192 Cb 0.15 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 2roq h ARG 192 CO -0.02 0.93 -0.08 -0.07 2.80 0.00 0.00 179.97 183.54 2roq h LEU 193 N 1.22 -0.18 -1.99 3.80 3.38 -0.89 0.28 115.31 120.93 2roq h LEU 193 Ca 0.30 -0.33 0.21 0.00 0.09 0.00 0.00 57.88 58.15 2roq h LEU 193 Cb 0.09 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2roq h LEU 193 CO -0.04 0.28 0.55 -0.09 0.09 0.00 0.00 178.44 179.22 2roq h ARG 194 N -0.69 0.00 0.00 1.13 1.12 -0.74 0.21 114.38 115.41 2roq h ARG 194 Ca -0.02 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.64 2roq h ARG 194 Cb 0.50 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.42 2roq h ARG 194 CO 0.04 0.00 -1.66 0.00 -3.11 0.00 0.00 179.97 175.24 2roq n ALA 195 N -2.62 1.85 0.33 2.80 0.00 -0.80 -3.97 120.51 118.10 2roq n ALA 195 Ca 0.14 -0.70 0.15 0.00 0.00 0.00 0.00 53.44 53.03 2roq n ALA 195 Cb 0.82 -0.81 0.58 0.00 0.00 0.00 0.00 19.45 20.04 2roq n ALA 195 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2roq h ARG 196 N 0.00 0.00 0.00 0.00 2.43 0.27 -3.46 114.38 113.62 2roq h ARG 196 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2roq h ARG 196 Cb 1.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2roq h ARG 196 CO 0.05 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 2roq n GLY 197 N 0.17 1.09 3.66 2.80 0.00 -0.57 -5.06 105.19 107.28 2roq n GLY 197 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2roq n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2roq s GLU 198 N -0.13 2.45 0.19 1.61 1.03 -0.54 -5.01 118.70 118.30 2roq s GLU 198 Ca 0.00 -0.88 0.04 0.00 0.03 0.00 0.00 54.97 54.16 2roq s GLU 198 Cb 0.00 -2.49 -0.03 0.00 -0.80 0.00 0.00 34.13 30.81 2roq s GLU 198 CO 0.00 0.54 0.30 1.14 -1.33 0.00 0.00 175.26 175.90 2roq s GLN 199 N -2.26 3.36 -0.04 -4.83 -2.07 -1.26 -2.00 119.66 110.57 2roq s GLN 199 Ca 0.24 -0.71 -0.04 0.00 -1.82 0.00 0.00 55.36 53.04 2roq s GLN 199 Cb -0.12 -2.89 -0.04 0.00 -1.09 0.00 0.00 33.01 28.88 2roq s GLN 199 CO 0.17 0.48 0.16 0.14 -1.32 0.00 0.00 175.29 174.91 2roq s VAL 200 N -1.86 5.35 -0.16 3.63 -7.23 -1.26 -4.29 120.40 114.58 2roq s VAL 200 Ca 0.34 -0.09 -0.14 0.00 -1.81 0.00 0.00 61.98 60.28 2roq s VAL 200 Cb -0.10 -3.44 -0.10 0.00 0.56 0.00 0.00 36.38 33.30 2roq s VAL 200 CO 0.28 0.41 0.03 0.00 -0.31 0.00 0.00 175.10 175.52 2roq h ALA 201 N 4.18 0.09 -0.57 1.32 0.00 -1.71 -3.45 119.26 119.12 2roq h ALA 201 Ca -0.51 -0.70 0.21 0.00 0.00 0.00 0.00 54.91 53.92 2roq h ALA 201 Cb 1.20 0.50 -0.23 0.00 0.00 0.00 0.00 17.79 19.26 2roq h ALA 201 CO 0.65 0.49 0.21 0.12 0.00 0.00 0.00 179.25 180.72 2roq s PHE 202 N -2.21 -0.56 -0.18 0.00 5.36 -1.13 -4.91 117.98 114.36 2roq s PHE 202 Ca -0.18 0.77 -0.08 0.00 -0.96 0.00 0.00 56.93 56.48 2roq s PHE 202 Cb 0.03 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.93 2roq s PHE 202 CO 0.35 -0.29 0.10 -0.51 -1.46 0.00 0.00 175.22 173.41 2roq s LEU 203 N 2.64 4.04 0.12 6.12 1.02 -1.22 -3.33 118.68 128.07 2roq s LEU 203 Ca -0.01 0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.36 2roq s LEU 203 Cb -0.08 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 2roq s LEU 203 CO -0.14 0.21 0.19 -0.83 0.02 0.00 0.00 176.35 175.80 2roq s GLY 204 N 0.15 1.88 -0.23 -3.19 0.00 0.84 -2.41 107.32 104.36 2roq s GLY 204 Ca 0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 2roq s GLY 204 CO -0.00 -1.02 0.10 1.08 0.00 0.00 0.00 173.10 173.25 2roq s LEU 205 N -2.88 0.63 -0.64 0.66 1.43 0.51 -0.12 118.68 118.27 2roq s LEU 205 Ca 0.33 -0.97 -0.22 0.00 -1.03 0.00 0.00 54.13 52.24 2roq s LEU 205 Cb -0.11 -0.36 0.08 0.00 0.03 0.00 0.00 46.19 45.82 2roq s LEU 205 CO 0.26 -0.39 0.90 -0.76 0.23 0.00 0.00 176.35 176.60 2roq s LEU 206 N 2.06 4.62 0.32 1.79 1.02 0.98 -0.41 118.68 129.07 2roq s LEU 206 Ca 0.05 -1.09 0.00 0.00 0.02 0.00 0.00 54.13 53.11 2roq s LEU 206 Cb -0.16 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.66 2roq s LEU 206 CO -0.21 -1.37 0.00 0.47 0.02 0.00 0.00 176.35 175.26 2roq n ASP 207 N 7.38 -6.69 0.00 2.29 9.92 -1.24 -1.75 116.55 126.47 2roq n ASP 207 Ca -0.05 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 55.10 2roq n ASP 207 Cb 0.45 -3.10 0.00 0.00 -0.64 0.00 0.00 41.12 37.82 2roq n ASP 207 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2roq n THR 208 N -0.43 0.00 -3.64 -3.53 -1.04 -1.26 -2.26 114.28 102.12 2roq n THR 208 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2roq n THR 208 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2roq n THR 208 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 2roq s TRP 209 N -0.50 -0.31 0.99 -1.42 1.48 -1.26 -4.96 118.94 112.96 2roq s TRP 209 Ca 0.00 0.30 -0.12 0.00 -1.06 0.00 0.00 56.10 55.21 2roq s TRP 209 Cb 0.00 0.25 0.18 0.00 -1.16 0.00 0.00 33.47 32.75 2roq s TRP 209 CO 0.00 -0.59 1.09 -1.25 -4.06 0.00 0.00 176.95 172.14 2roq s PRO 210 N -2.47 0.50 0.00 3.25 0.04 -1.26 -4.87 135.00 130.19 2roq s PRO 210 Ca -0.05 0.55 0.15 0.00 0.04 0.00 0.00 61.00 61.69 2roq s PRO 210 Cb -0.01 -1.74 0.71 0.00 0.04 0.00 0.00 34.50 33.50 2roq s PRO 210 CO -0.02 -2.69 1.42 -0.35 0.04 0.00 0.00 177.00 175.40 2roq n PRO 211 N -4.15 0.15 -0.81 0.56 -0.04 -1.26 -4.84 135.00 124.61 2roq n PRO 211 Ca 0.05 0.17 -0.34 0.00 -0.04 0.00 0.00 63.50 63.35 2roq n PRO 211 Cb 0.57 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.64 2roq n PRO 211 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 212 N -1.34 -0.51 -0.23 0.54 4.71 -1.26 -4.84 120.64 117.71 2roq n GLU 212 Ca 0.06 -0.12 0.03 0.00 -0.01 0.00 0.00 57.16 57.12 2roq n GLU 212 Cb 0.13 -1.66 0.15 0.00 -1.01 0.00 0.00 31.44 29.05 2roq n GLU 212 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2roq h THR 213 N -1.56 0.64 -3.78 2.62 2.02 -2.01 -3.44 112.91 107.40 2roq h THR 213 Ca -0.45 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 2roq h THR 213 Cb 1.31 0.26 -0.11 0.00 -1.74 0.00 0.00 68.15 67.87 2roq h THR 213 CO 0.33 0.06 -0.24 -1.10 0.37 0.00 0.00 175.52 174.94 2roq s GLN 214 N -6.06 1.28 0.18 6.66 -0.21 -1.26 -5.18 119.66 115.06 2roq s GLN 214 Ca -0.13 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.09 2roq s GLN 214 Cb 0.19 0.41 0.04 0.00 1.00 0.00 0.00 33.01 34.65 2roq s GLN 214 CO 0.75 -0.50 0.24 0.27 -2.12 0.00 0.00 175.29 173.94 2roq n ASN 215 N -0.27 0.34 0.08 5.90 0.23 -1.26 -4.98 115.26 115.30 2roq n ASN 215 Ca -0.06 -1.28 0.12 0.00 -0.53 0.00 0.00 54.58 52.83 2roq n ASN 215 Cb 0.63 -0.16 0.14 0.00 -2.08 0.00 0.00 39.78 38.31 2roq n ASN 215 CO 0.00 0.00 0.00 4.11 -0.93 0.00 0.00 177.26 180.44 2roq h TRP 216 N -0.42 0.00 -0.16 -2.53 5.08 -1.98 -3.32 115.95 112.62 2roq h TRP 216 Ca -0.08 0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.93 2roq h TRP 216 Cb 0.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 2roq h TRP 216 CO 0.00 0.00 0.31 1.96 -1.28 0.00 0.00 178.44 179.43 2roq h GLN 217 N 0.00 0.00 -0.44 0.12 4.20 -1.95 -0.51 115.11 116.54 2roq h GLN 217 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2roq h GLN 217 Cb 0.82 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 2roq h GLN 217 CO 0.00 0.00 0.47 1.49 -0.67 0.00 0.00 178.83 180.12 2roq h GLU 218 N 0.00 0.00 -1.77 1.46 4.81 -1.97 -3.16 114.58 113.94 2roq h GLU 218 Ca 0.07 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.83 2roq h GLU 218 Cb 0.69 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.75 2roq h GLU 218 CO -0.00 0.00 -0.90 1.17 -0.73 0.00 0.00 179.01 178.55 2roq n LYS 219 N -3.73 0.48 -0.24 1.92 4.81 -0.20 -4.99 118.16 116.21 2roq n LYS 219 Ca 0.08 -2.86 0.04 0.00 -0.87 0.00 0.00 58.31 54.70 2roq n LYS 219 Cb 0.65 -1.46 0.17 0.00 0.02 0.00 0.00 35.03 34.41 2roq n LYS 219 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2roq h GLU 220 N 4.79 0.40 0.46 1.64 -0.00 -1.67 0.26 114.58 120.46 2roq h GLU 220 Ca 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.45 2roq h GLU 220 Cb 0.94 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 29.58 2roq h GLU 220 CO 0.35 0.26 -0.42 0.00 -0.00 0.00 0.00 179.01 179.20 2roq h ALA 221 N 1.53 -0.95 -0.84 1.06 0.00 -1.92 0.12 119.26 118.25 2roq h ALA 221 Ca 0.39 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 221 Cb 0.58 0.60 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 2roq h ALA 221 CO -0.40 -1.07 0.74 -1.71 0.00 0.00 0.00 179.25 176.81 2roq n ASN 222 N -5.52 7.33 0.00 0.00 2.85 -0.90 -4.23 115.26 114.80 2roq n ASN 222 Ca -0.11 -3.57 0.00 0.00 -0.11 0.00 0.00 54.58 50.79 2roq n ASN 222 Cb 0.42 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.43 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 223 N -0.52 0.08 3.55 8.20 0.00 0.86 -4.91 105.19 112.46 2roq n GLY 223 Ca 0.53 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 2roq n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2roq s LEU 224 N -2.87 3.26 0.49 0.99 1.43 0.38 -4.97 118.68 117.38 2roq s LEU 224 Ca 0.00 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 2roq s LEU 224 Cb 0.00 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 2roq s LEU 224 CO 0.00 -2.36 0.99 -1.81 0.23 0.00 0.00 176.35 173.40 2roq s ASP 225 N 7.47 6.61 0.00 2.29 1.11 -1.26 -4.93 116.67 127.95 2roq s ASP 225 Ca 0.63 1.67 0.15 0.00 0.18 0.00 0.00 52.55 55.19 2roq s ASP 225 Cb -0.10 -2.53 0.92 0.00 1.07 0.00 0.00 42.92 42.28 2roq s ASP 225 CO 0.14 -0.60 1.34 -0.81 1.18 0.00 0.00 175.17 176.42 2roq n PRO 226 N -1.28 0.49 -0.12 8.23 -0.04 -1.26 -3.01 135.00 138.01 2roq n PRO 226 Ca 0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 2roq n PRO 226 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2roq n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 227 N -1.00 0.59 -0.34 0.54 1.02 -1.26 -3.61 120.64 116.58 2roq n GLU 227 Ca 0.12 0.36 0.03 0.00 -0.02 0.00 0.00 57.16 57.64 2roq n GLU 227 Cb 0.05 -1.58 0.18 0.00 -0.02 0.00 0.00 31.44 30.07 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2roq h VAL 228 N -0.92 1.01 -0.24 2.62 3.04 -1.94 0.29 116.25 120.11 2roq h VAL 228 Ca -0.58 -0.35 -0.15 0.00 -1.01 0.00 0.00 66.70 64.61 2roq h VAL 228 Cb 1.54 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 2roq h VAL 228 CO -0.33 0.18 -0.48 -0.07 -1.01 0.00 0.00 177.57 175.87 2roq h LEU 229 N 1.01 0.69 -0.75 3.16 3.38 -1.77 -2.09 115.31 118.94 2roq h LEU 229 Ca 0.42 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2roq h LEU 229 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2roq h LEU 229 CO -0.21 1.06 -0.31 0.00 0.09 0.00 0.00 178.44 179.07 2roq h ALA 230 N 0.97 0.93 0.01 1.53 0.00 -1.36 -1.91 119.26 119.42 2roq h ALA 230 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2roq h ALA 230 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2roq h ALA 230 CO 0.10 0.39 -0.10 1.49 0.00 0.00 0.00 179.25 181.13 2roq h GLU 231 N 0.00 0.05 -0.42 0.00 4.81 -0.29 -2.13 114.58 116.60 2roq h GLU 231 Ca -0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2roq h GLU 231 Cb 0.95 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2roq h GLU 231 CO 0.04 0.93 -0.16 -0.84 -0.73 0.00 0.00 179.01 178.25 2roq h ILE 232 N -0.80 1.26 -0.22 2.32 3.07 -1.43 -0.87 117.51 120.84 2roq h ILE 232 Ca -0.01 -1.25 -0.15 0.00 1.55 0.00 0.00 64.86 65.00 2roq h ILE 232 Cb 0.97 1.12 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 2roq h ILE 232 CO 0.02 0.42 -0.49 -1.13 -1.05 0.00 0.00 178.15 175.92 2roq h ASN 233 N 0.70 0.65 0.42 2.16 -1.24 -1.46 -2.11 115.58 114.70 2roq h ASN 233 Ca 0.11 -0.32 -0.16 0.00 0.71 0.00 0.00 56.30 56.63 2roq h ASN 233 Cb 0.66 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 2roq h ASN 233 CO 0.05 1.03 -0.69 0.03 -1.29 0.00 0.00 177.43 176.56 2roq h ARG 234 N 0.47 0.24 -0.28 6.67 3.08 -1.21 0.21 114.38 123.57 2roq h ARG 234 Ca 0.02 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 2roq h ARG 234 Cb 1.03 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2roq h ARG 234 CO 0.10 0.84 -0.46 0.93 -1.07 0.00 0.00 179.97 180.30 2roq h GLU 235 N 0.17 0.80 0.04 0.04 3.07 -1.07 -2.13 114.58 115.50 2roq h GLU 235 Ca -0.02 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2roq h GLU 235 Cb 1.23 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2roq h GLU 235 CO 0.11 1.12 -0.02 0.00 -1.40 0.00 0.00 179.01 178.82 2roq h ARG 236 N 0.56 -0.06 -0.48 2.33 2.47 -1.38 -2.13 114.38 115.69 2roq h ARG 236 Ca 0.02 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.88 2roq h ARG 236 Cb 1.07 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 2roq h ARG 236 CO 0.11 0.58 0.34 1.49 0.56 0.00 0.00 179.97 183.05 2roq h GLU 237 N -0.88 0.01 0.11 0.04 4.81 -1.06 -0.14 114.58 117.47 2roq h GLU 237 Ca -0.01 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2roq h GLU 237 Cb 0.67 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 2roq h GLU 237 CO 0.01 0.00 -1.30 0.00 -0.73 0.00 0.00 179.01 177.00 2roq h ALA 238 N 1.76 0.17 -0.00 2.92 0.00 -1.43 -1.41 119.26 121.26 2roq h ALA 238 Ca 0.23 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 2roq h ALA 238 Cb 0.90 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2roq h ALA 238 CO -0.00 1.05 -0.22 0.35 0.00 0.00 0.00 179.25 180.42 2roq h PHE 239 N 0.07 0.01 0.00 0.00 3.57 -0.33 -2.49 116.94 117.76 2roq h PHE 239 Ca -0.15 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2roq h PHE 239 Cb 1.97 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.70 2roq h PHE 239 CO 0.06 0.23 -1.65 1.28 -2.23 0.00 0.00 178.31 176.00 2roq n LEU 240 N -4.27 0.29 0.07 0.59 4.77 -0.80 -4.08 117.00 113.56 2roq n LEU 240 Ca -0.02 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.12 2roq n LEU 240 Cb 0.28 -0.02 0.47 0.00 -2.33 0.00 0.00 43.42 41.82 2roq n LEU 240 CO 0.37 -0.02 0.89 0.00 -1.33 0.00 0.00 177.39 177.30 2roq n ALA 241 N -2.16 2.16 -0.17 -1.18 0.00 -0.53 -3.30 120.51 115.33 2roq n ALA 241 Ca -0.02 -0.03 0.28 0.00 0.00 0.00 0.00 53.44 53.67 2roq n ALA 241 Cb 0.54 -1.44 0.72 0.00 0.00 0.00 0.00 19.45 19.27 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ALA 242 N 2.62 2.82 -0.22 0.00 0.00 -1.61 -2.71 119.26 120.16 2roq h ALA 242 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 242 Cb 0.58 0.07 -0.33 0.00 0.00 0.00 0.00 17.79 18.10 2roq h ALA 242 CO 0.00 -1.09 -0.88 0.94 0.00 0.00 0.00 179.25 178.22 2roq n GLN 243 N -4.23 1.15 -2.43 0.00 -0.06 -1.23 -5.12 117.38 105.46 2roq n GLN 243 Ca 0.18 -2.57 -0.36 0.00 -2.00 0.00 0.00 57.00 52.26 2roq n GLN 243 Cb 0.95 -0.72 -0.03 0.00 -4.06 0.00 0.00 30.24 26.38 2roq n GLN 243 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2roq s GLN 244 N -1.96 3.85 0.00 3.69 -0.44 -1.02 -4.86 119.66 118.91 2roq s GLN 244 Ca 0.23 1.55 0.00 0.00 -2.50 0.00 0.00 55.36 54.64 2roq s GLN 244 Cb 0.33 -2.31 0.00 0.00 -1.64 0.00 0.00 33.01 29.40 2roq s GLN 244 CO -0.08 -0.42 0.00 0.41 0.50 0.00 0.00 175.29 175.70 2roq n GLY 245 N 0.18 0.19 0.11 2.59 0.00 -1.26 -4.97 105.19 102.02 2roq n GLY 245 Ca 0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.05 1.44 -4.49 1.61 2.88 -1.26 -4.75 113.62 108.00 2roq n SER 246 Ca 0.00 -0.07 -0.44 0.00 -1.33 0.00 0.00 58.87 57.03 2roq n SER 246 Cb 0.00 0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 2roq n SER 246 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2roq s THR 247 N -2.46 4.72 0.04 2.46 -1.32 -1.26 -4.87 115.64 112.95 2roq s THR 247 Ca -0.22 -2.21 -0.14 0.00 -1.21 0.00 0.00 61.69 57.91 2roq s THR 247 Cb 0.07 -4.96 -0.06 0.00 -1.51 0.00 0.00 72.50 66.04 2roq s THR 247 CO 0.63 -1.71 1.22 -1.28 -2.21 0.00 0.00 174.62 171.27 2roq h SER 248 N 7.65 -0.64 0.00 8.08 0.87 -2.00 -3.40 113.55 124.12 2roq h SER 248 Ca 0.31 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2roq h SER 248 Cb 0.90 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2roq h SER 248 CO 1.28 -0.22 -0.20 0.35 -0.53 0.00 0.00 176.83 177.51 2roq n THR 249 N -3.65 0.00 0.05 2.23 -2.24 -1.26 -4.91 114.28 104.50 2roq n THR 249 Ca -0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 2roq n THR 249 Cb 0.16 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2roq h GLU 250 N 0.00 -0.15 -0.80 -0.78 4.57 -1.94 -2.13 114.58 113.34 2roq h GLU 250 Ca 0.00 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2roq h GLU 250 Cb 1.16 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 2roq h GLU 250 CO 0.00 -0.10 0.46 1.25 -1.18 0.00 0.00 179.01 179.44 2roq h LEU 251 N -0.47 0.68 0.64 1.64 6.46 -1.93 -2.05 115.31 120.27 2roq h LEU 251 Ca -0.02 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2roq h LEU 251 Cb 0.12 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2roq h LEU 251 CO 0.03 0.40 -0.31 -0.26 -0.62 0.00 0.00 178.44 177.68 2roq h PHE 252 N 0.80 -0.81 -0.72 1.25 0.04 -1.89 -1.96 116.94 113.65 2roq h PHE 252 Ca 0.38 -0.02 0.21 0.00 2.80 0.00 0.00 57.97 61.34 2roq h PHE 252 Cb 0.30 0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 2roq h PHE 252 CO -0.06 -0.50 0.56 1.15 -0.60 0.00 0.00 178.31 178.86 2roq h THR 253 N -0.87 0.53 -0.09 -1.55 2.02 -1.05 0.16 112.91 112.06 2roq h THR 253 Ca -0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2roq h THR 253 Cb 0.67 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2roq h THR 253 CO 0.14 0.00 -0.27 0.74 0.37 0.00 0.00 175.52 176.51 2roq h THR 254 N 0.00 1.41 0.13 3.16 2.02 -0.79 -1.21 112.91 117.62 2roq h THR 254 Ca 0.34 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 2roq h THR 254 Cb 1.45 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 2roq h THR 254 CO -0.00 0.47 -0.06 0.40 0.37 0.00 0.00 175.52 176.69 2roq h ILE 255 N -0.14 1.01 -0.77 3.11 1.08 -0.32 -2.10 117.51 119.39 2roq h ILE 255 Ca -0.01 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2roq h ILE 255 Cb 0.89 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 2roq h ILE 255 CO 0.06 0.15 0.50 -0.08 -0.69 0.00 0.00 178.15 178.08 2roq h GLU 256 N -0.47 1.02 -0.59 2.37 4.22 -1.22 0.22 114.58 120.14 2roq h GLU 256 Ca -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 2roq h GLU 256 Cb 0.37 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2roq h GLU 256 CO 0.03 0.69 0.31 0.78 -2.18 0.00 0.00 179.01 178.64 2roq h GLY 257 N 1.04 0.86 1.37 1.92 0.00 -1.18 0.41 103.07 107.50 2roq h GLY 257 Ca 0.28 -0.38 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 2roq h GLY 257 CO -0.06 0.36 -1.42 3.43 0.00 0.00 0.00 176.54 178.85 2roq h ASN 258 N 0.81 0.64 -0.35 0.19 4.21 -0.83 -2.12 115.58 118.13 2roq h ASN 258 Ca 0.21 -0.72 -0.09 0.00 1.21 0.00 0.00 56.30 56.91 2roq h ASN 258 Cb 0.03 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2roq h ASN 258 CO -0.03 1.57 -0.10 0.22 -1.29 0.00 0.00 177.43 177.80 2roq h TYR 259 N 0.11 0.85 0.11 1.19 5.03 -0.31 0.26 116.97 124.20 2roq h TYR 259 Ca -0.22 -0.15 -0.26 0.00 2.58 0.00 0.00 58.73 60.68 2roq h TYR 259 Cb 2.08 -0.22 0.03 0.00 1.55 0.00 0.00 36.73 40.17 2roq h TYR 259 CO 0.10 0.84 -1.07 0.00 -1.32 0.00 0.00 178.16 176.71 2roq h ALA 260 N 1.18 -0.01 -0.41 1.82 0.00 -1.01 -2.12 119.26 118.71 2roq h ALA 260 Ca 0.12 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.16 2roq h ALA 260 Cb 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2roq h ALA 260 CO 0.04 0.58 -0.34 -0.44 0.00 0.00 0.00 179.25 179.08 2roq h ASP 261 N 0.11 0.99 -0.35 0.00 3.32 -1.31 -0.79 116.42 118.38 2roq h ASP 261 Ca -0.16 -0.43 -0.17 0.00 0.02 0.00 0.00 57.03 56.29 2roq h ASP 261 Cb 1.78 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 2roq h ASP 261 CO 0.21 1.23 -0.44 0.00 -1.72 0.00 0.00 179.24 178.51 2roq h ALA 262 N 0.83 0.54 0.00 3.45 0.00 -0.58 0.41 119.26 123.91 2roq h ALA 262 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2roq h ALA 262 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2roq h ALA 262 CO 0.09 0.68 0.00 1.55 0.00 0.00 0.00 179.25 181.57 2roq n VAL 263 N -4.04 0.28 -0.01 0.00 3.14 -0.80 -1.64 118.33 115.27 2roq n VAL 263 Ca -0.03 -0.02 0.07 0.00 -2.96 0.00 0.00 64.34 61.40 2roq n VAL 263 Cb 0.57 -0.61 -0.12 0.00 -1.06 0.00 0.00 33.84 32.63 2roq n VAL 263 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2roq n ARG 264 N -1.70 0.45 0.00 1.45 0.63 -0.31 -4.41 116.66 112.77 2roq n ARG 264 Ca 0.06 -0.14 0.10 0.00 -0.92 0.00 0.00 57.85 56.96 2roq n ARG 264 Cb 0.33 -1.35 -0.08 0.00 0.45 0.00 0.00 32.46 31.81 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2roq n LEU 265 N -2.02 0.95 0.22 6.15 -0.00 0.14 -4.22 117.00 118.23 2roq n LEU 265 Ca -0.03 -0.45 0.15 0.00 -0.00 0.00 0.00 56.01 55.68 2roq n LEU 265 Cb 0.39 -0.02 0.80 0.00 -0.00 0.00 0.00 43.42 44.58 2roq n LEU 265 CO 0.31 0.24 0.95 0.17 -0.00 0.00 0.00 177.39 179.06 2roq h LEU 266 N 0.00 0.00 0.00 1.47 8.10 -1.52 0.08 115.31 123.44 2roq h LEU 266 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 2roq h LEU 266 Cb 0.50 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.68 2roq h LEU 266 CO 0.00 0.00 -2.16 1.07 -4.11 0.00 0.00 178.44 173.24 2roq n THR 267 N -2.53 0.77 0.09 0.15 5.66 -1.26 -4.38 114.28 112.78 2roq n THR 267 Ca -0.02 -0.69 -0.14 0.00 -3.05 0.00 0.00 64.05 60.15 2roq n THR 267 Cb 0.05 -0.27 -0.14 0.00 -1.55 0.00 0.00 70.33 68.42 2roq n THR 267 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2roq h THR 268 N 0.00 1.49 -2.63 1.09 2.02 -1.31 -3.46 112.91 110.10 2roq h THR 268 Ca -0.29 -3.09 -0.21 0.00 0.77 0.00 0.00 66.41 63.59 2roq h THR 268 Cb 1.66 2.90 0.10 0.00 -1.74 0.00 0.00 68.15 71.07 2roq h THR 268 CO 0.02 0.89 0.12 0.00 0.37 0.00 0.00 175.52 176.92 2roq n ALA 269 N -2.52 -1.37 -2.33 6.16 0.00 -0.15 -5.10 120.51 115.20 2roq n ALA 269 Ca -0.08 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 2roq n ALA 269 Cb 1.01 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 20.31 2roq n ALA 269 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s HIS 270 N -2.19 1.59 -0.02 0.00 2.46 -1.26 -5.00 115.29 110.86 2roq s HIS 270 Ca 0.37 -0.83 -0.31 0.00 0.47 0.00 0.00 55.06 54.77 2roq s HIS 270 Cb -0.03 -0.89 0.12 0.00 -0.13 0.00 0.00 32.58 31.66 2roq s HIS 270 CO 0.27 0.07 1.29 -1.12 -2.47 0.00 0.00 174.74 172.78 2roq s SER 271 N -3.31 -0.06 -0.09 9.88 0.01 -1.26 -5.02 113.70 113.85 2roq s SER 271 Ca 0.26 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.34 2roq s SER 271 Cb 0.04 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.47 2roq s SER 271 CO 0.08 -0.29 0.21 0.54 0.41 0.00 0.00 173.24 174.18 2roq s VAL 272 N -2.42 -0.03 0.92 3.43 0.11 -1.26 -4.99 120.40 116.16 2roq s VAL 272 Ca 0.14 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.18 2roq s VAL 272 Cb 0.05 -0.32 0.14 0.00 -1.53 0.00 0.00 36.38 34.72 2roq s VAL 272 CO -0.04 0.04 1.09 -2.16 -3.33 0.00 0.00 175.10 170.71 2roq s PRO 273 N 0.87 1.06 0.25 1.54 0.04 -1.26 -2.75 135.00 134.74 2roq s PRO 273 Ca -0.06 0.75 0.11 0.00 0.04 0.00 0.00 61.00 61.83 2roq s PRO 273 Cb -0.08 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2roq s PRO 273 CO -0.05 -2.36 -0.14 0.12 0.04 0.00 0.00 177.00 174.61 2roq s PHE 274 N -2.94 2.46 -0.78 0.56 5.36 -1.26 -4.83 117.98 116.54 2roq s PHE 274 Ca 0.64 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 56.35 2roq s PHE 274 Cb -0.18 -1.12 0.26 0.00 -0.34 0.00 0.00 43.02 41.64 2roq s PHE 274 CO 0.57 0.62 0.96 -0.40 -1.46 0.00 0.00 175.22 175.51 2roq n ASP 275 N -0.44 4.55 0.00 6.13 5.75 -1.26 -4.95 116.55 126.33 2roq n ASP 275 Ca -0.08 -3.41 0.00 0.00 -0.01 0.00 0.00 54.79 51.29 2roq n ASP 275 Cb 0.58 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roq n GLY 276 N 1.10 4.70 2.79 6.12 0.00 -1.26 -4.97 105.19 113.66 2roq n GLY 276 Ca 0.28 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 3.68 0.91 -0.04 1.61 3.01 -1.25 -3.53 119.74 124.13 2roq s LYS 277 Ca 0.00 -0.76 -0.01 0.00 -1.01 0.00 0.00 55.97 54.19 2roq s LYS 277 Cb 0.00 -2.20 0.03 0.00 -1.01 0.00 0.00 37.83 34.65 2roq s LYS 277 CO 0.00 -0.73 0.04 0.00 0.51 0.00 0.00 175.35 175.16 2roq s ALA 278 N 1.67 0.28 -0.36 5.17 0.00 -1.23 -3.44 121.76 123.85 2roq s ALA 278 Ca 0.01 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.86 2roq s ALA 278 Cb -0.18 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2roq s ALA 278 CO -0.13 -0.34 1.02 -0.08 0.00 0.00 0.00 175.76 176.23 2roq s THR 279 N 1.75 4.51 0.01 0.00 -1.32 -1.01 -3.47 115.64 116.10 2roq s THR 279 Ca -0.00 1.45 0.03 0.00 -1.21 0.00 0.00 61.69 61.96 2roq s THR 279 Cb -0.12 -4.40 -0.03 0.00 -1.51 0.00 0.00 72.50 66.43 2roq s THR 279 CO -0.03 -0.56 -0.07 -0.22 -2.21 0.00 0.00 174.62 171.53 2roq s LEU 280 N 3.66 3.16 0.14 9.08 2.96 -1.12 -0.36 118.68 136.20 2roq s LEU 280 Ca 0.43 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 2roq s LEU 280 Cb -0.11 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2roq s LEU 280 CO 0.19 0.28 0.23 -0.36 -1.32 0.00 0.00 176.35 175.36 2roq s PHE 281 N -1.00 3.39 -0.14 5.38 0.40 0.45 -3.45 117.98 123.01 2roq s PHE 281 Ca 0.17 0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 2roq s PHE 281 Cb -0.11 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.79 2roq s PHE 281 CO 0.08 0.53 -0.19 0.14 0.70 0.00 0.00 175.22 176.47 2roq s VAL 282 N -1.70 2.36 -1.01 -0.44 -7.23 -1.19 -3.66 120.40 107.53 2roq s VAL 282 Ca 0.33 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.39 2roq s VAL 282 Cb -0.11 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.87 2roq s VAL 282 CO 0.27 0.53 1.70 0.00 -0.31 0.00 0.00 175.10 177.29 2roq s ALA 283 N 0.77 2.31 -0.12 1.32 0.00 -1.26 -3.28 121.76 121.51 2roq s ALA 283 Ca -0.07 -2.03 0.29 0.00 0.00 0.00 0.00 51.96 50.14 2roq s ALA 283 Cb -0.16 -4.56 0.92 0.00 0.00 0.00 0.00 23.12 19.33 2roq s ALA 283 CO -0.00 -4.15 1.82 1.49 0.00 0.00 0.00 175.76 174.92 2roq h GLU 284 N 10.14 0.00 -0.18 0.00 4.81 -1.52 -3.07 114.58 124.77 2roq h GLU 284 Ca 0.19 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2roq h GLU 284 Cb 0.99 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2roq h GLU 284 CO 1.34 0.01 0.21 0.00 -0.73 0.00 0.00 179.01 179.84 2roq h ARG 285 N 0.00 0.00 0.00 1.92 3.08 -1.73 -0.53 114.38 117.11 2roq h ARG 285 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2roq h ARG 285 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2roq h ARG 285 CO 0.00 0.00 -0.01 2.41 -1.07 0.00 0.00 179.97 181.30 2roq n THR 286 N -3.74 1.24 -2.02 2.04 -1.04 -1.16 -4.93 114.28 104.65 2roq n THR 286 Ca 0.02 -1.36 -0.43 0.00 -2.04 0.00 0.00 64.05 60.24 2roq n THR 286 Cb 0.33 0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 69.09 2roq n THR 286 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2roq s LEU 287 N -1.56 4.13 -0.26 -4.42 1.43 -0.21 -4.80 118.68 113.00 2roq s LEU 287 Ca 0.10 2.01 0.10 0.00 -1.03 0.00 0.00 54.13 55.31 2roq s LEU 287 Cb 0.09 -3.53 0.32 0.00 0.03 0.00 0.00 46.19 43.09 2roq s LEU 287 CO 0.01 -1.09 1.42 0.00 0.23 0.00 0.00 176.35 176.92 2roq n GLN 288 N 7.39 1.06 -0.62 1.70 10.64 -1.26 -4.95 117.38 131.34 2roq n GLN 288 Ca 0.18 -1.15 0.02 0.00 -1.83 0.00 0.00 57.00 54.22 2roq n GLN 288 Cb 0.44 0.44 0.20 0.00 -0.86 0.00 0.00 30.24 30.46 2roq n GLN 288 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2roq n GLU 289 N -1.20 1.81 -1.81 2.61 4.71 -1.26 -4.94 120.64 120.56 2roq n GLU 289 Ca -0.20 -3.12 -0.17 0.00 -0.01 0.00 0.00 57.16 53.66 2roq n GLU 289 Cb 0.84 -1.72 -0.05 0.00 -1.01 0.00 0.00 31.44 29.49 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2roq n GLY 290 N -1.10 0.89 3.64 0.62 0.00 -1.26 -4.95 105.19 103.03 2roq n GLY 290 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.00 2.28 -0.75 1.61 -1.94 -1.26 -4.80 119.30 110.44 2roq s MET 291 Ca 0.00 -1.35 -0.02 0.00 -1.71 0.00 0.00 55.69 52.61 2roq s MET 291 Cb 0.00 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.65 2roq s MET 291 CO 0.00 0.39 0.66 0.43 -0.01 0.00 0.00 175.02 176.48 2roq n SER 292 N -0.66 -6.57 -0.02 3.03 7.64 -1.26 -4.92 113.62 110.86 2roq n SER 292 Ca -0.07 -0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.27 2roq n SER 292 Cb 0.58 -3.76 -0.09 0.00 -1.01 0.00 0.00 64.21 59.93 2roq n SER 292 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2roq h PRO 293 N 0.28 0.07 0.00 1.43 0.13 -2.02 -3.46 132.00 128.43 2roq h PRO 293 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2roq h PRO 293 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2roq h PRO 293 CO 0.32 0.53 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 2roq n GLU 294 N -4.80 0.00 0.00 0.86 0.28 -1.26 -5.09 120.64 110.63 2roq n GLU 294 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2roq n GLU 294 Cb 0.27 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.14 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2roq n ARG 295 N 0.00 0.00 0.00 3.44 1.74 -1.26 -5.17 116.66 115.41 2roq n ARG 295 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2roq n ARG 295 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq n ALA 296 N -1.32 0.00 -2.78 7.54 0.00 -1.26 -4.96 120.51 117.73 2roq n ALA 296 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2roq n ALA 296 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2roq n ALA 296 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2roq n TRP 297 N -1.11 -3.34 0.00 0.00 -0.00 -0.93 -5.06 117.44 107.00 2roq n TRP 297 Ca 0.00 1.35 0.00 0.00 -0.00 0.00 0.00 57.50 58.85 2roq n TRP 297 Cb 0.00 -3.97 0.00 0.00 -0.00 0.00 0.00 31.31 27.34 2roq n TRP 297 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2roq n SER 298 N -0.29 0.00 -4.77 5.87 3.41 -1.26 -4.98 113.62 111.60 2roq n SER 298 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 2roq n SER 298 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2roq n SER 298 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2roq s PRO 299 N -2.00 4.42 -0.12 4.33 0.04 -1.26 -4.27 135.00 136.14 2roq s PRO 299 Ca 0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2roq s PRO 299 Cb 0.00 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 2roq s PRO 299 CO 0.00 -0.07 -0.01 2.35 0.04 0.00 0.00 177.00 179.31 2roq h TRP 300 N 3.45 0.00 0.00 0.56 -0.00 -1.91 -3.47 115.95 114.58 2roq h TRP 300 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.41 2roq h TRP 300 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.38 2roq h TRP 300 CO 0.57 0.07 -0.66 1.51 -0.00 0.00 0.00 178.44 179.93 2roq n ILE 301 N -4.72 0.00 0.00 2.65 0.13 -1.26 -5.02 119.36 111.15 2roq n ILE 301 Ca -0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.61 2roq n ILE 301 Cb 0.11 -1.06 -0.00 0.00 -0.84 0.00 0.00 39.64 37.85 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2roq n ALA 302 N -2.75 2.01 -3.48 1.51 0.00 -1.26 -5.10 120.51 111.44 2roq n ALA 302 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2roq n ALA 302 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2roq n ALA 302 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 303 N -1.25 0.31 0.26 0.00 2.12 -1.23 -4.94 118.70 113.98 2roq s GLU 303 Ca -0.02 0.71 -0.21 0.00 0.36 0.00 0.00 54.97 55.80 2roq s GLU 303 Cb 0.00 0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.76 2roq s GLU 303 CO 0.03 -0.09 0.77 -0.48 -0.54 0.00 0.00 175.26 174.94 2roq s LEU 304 N 2.12 -0.23 -0.47 2.70 0.05 -1.26 -3.47 118.68 118.13 2roq s LEU 304 Ca -0.04 -0.60 0.02 0.00 0.05 0.00 0.00 54.13 53.55 2roq s LEU 304 Cb -0.05 2.63 0.12 0.00 -2.05 0.00 0.00 46.19 46.84 2roq s LEU 304 CO -0.17 -1.28 0.21 -1.81 -0.55 0.00 0.00 176.35 172.75 2roq s ASP 305 N -2.94 4.68 -0.09 1.48 1.01 -1.23 -4.08 116.67 115.51 2roq s ASP 305 Ca 0.12 -2.62 -0.17 0.00 0.71 0.00 0.00 52.55 50.59 2roq s ASP 305 Cb -0.05 -1.69 -0.05 0.00 1.01 0.00 0.00 42.92 42.15 2roq s ASP 305 CO 0.06 -0.33 0.44 0.27 0.21 0.00 0.00 175.17 175.82 2roq s ILE 306 N 0.27 5.15 -0.05 0.77 -4.36 -1.26 -2.80 121.20 118.92 2roq s ILE 306 Ca 0.14 0.88 0.03 0.00 -0.26 0.00 0.00 60.65 61.43 2roq s ILE 306 Cb -0.23 -3.77 0.01 0.00 1.25 0.00 0.00 42.46 39.73 2roq s ILE 306 CO -0.03 0.41 -0.12 -0.31 0.24 0.00 0.00 174.94 175.13 2roq s TYR 307 N 0.11 1.30 -0.22 1.37 1.51 -1.22 -2.20 117.35 118.01 2roq s TYR 307 Ca 0.24 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 2roq s TYR 307 Cb -0.15 -0.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2roq s TYR 307 CO 0.10 -0.20 1.02 -0.98 -1.11 0.00 0.00 175.55 174.39 2roq s ARG 308 N 0.43 4.27 -0.14 -0.62 1.70 -1.26 -3.15 118.95 120.19 2roq s ARG 308 Ca -0.09 1.33 -0.06 0.00 -0.47 0.00 0.00 55.73 56.44 2roq s ARG 308 Cb -0.13 -3.63 0.07 0.00 -0.57 0.00 0.00 34.95 30.69 2roq s ARG 308 CO 0.02 -0.58 0.31 -1.14 -1.08 0.00 0.00 175.30 172.82 2roq s GLN 309 N 3.03 0.22 -0.77 3.89 2.00 -1.20 -5.02 119.66 121.80 2roq s GLN 309 Ca 0.44 0.77 -0.25 0.00 -2.00 0.00 0.00 55.36 54.31 2roq s GLN 309 Cb -0.15 0.02 -0.06 0.00 0.80 0.00 0.00 33.01 33.62 2roq s GLN 309 CO 0.07 -0.24 2.05 0.16 -0.50 0.00 0.00 175.29 176.83 2roq s ASP 310 N 2.11 4.89 0.21 6.67 -4.77 -1.26 -1.98 116.67 122.54 2roq s ASP 310 Ca -0.03 -0.12 -0.12 0.00 -3.30 0.00 0.00 52.55 48.98 2roq s ASP 310 Cb -0.11 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2roq s ASP 310 CO -0.10 -2.86 0.42 0.00 0.70 0.00 0.00 175.17 173.34 2roq s ALA 312 N -3.98 2.87 0.60 0.00 0.00 -1.26 -3.53 121.76 116.47 2roq s ALA 312 Ca 0.18 -2.02 0.29 0.00 0.00 0.00 0.00 51.96 50.42 2roq s ALA 312 Cb 0.01 -0.12 1.62 0.00 0.00 0.00 0.00 23.12 24.63 2roq s ALA 312 CO 0.04 0.15 2.02 0.45 0.00 0.00 0.00 175.76 178.41 2roq h HIS 313 N 2.11 0.00 0.00 0.00 3.86 -1.95 0.34 115.15 119.51 2roq h HIS 313 Ca -0.41 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.43 2roq h HIS 313 Cb 1.25 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.65 2roq h HIS 313 CO 0.78 0.00 -2.38 1.33 0.86 0.00 0.00 177.93 178.52 2roq n VAL 314 N -3.63 1.38 0.11 2.45 0.24 -1.26 -4.37 118.33 113.25 2roq n VAL 314 Ca 0.03 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.34 61.48 2roq n VAL 314 Cb 0.44 -0.56 0.13 0.00 -1.47 0.00 0.00 33.84 32.39 2roq n VAL 314 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2roq h ASP 315 N 0.00 0.14 -0.91 -1.34 5.19 -1.58 -3.14 116.42 114.77 2roq h ASP 315 Ca -0.55 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2roq h ASP 315 Cb 2.20 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 41.63 2roq h ASP 315 CO 0.02 0.73 0.57 0.40 -3.12 0.00 0.00 179.24 177.84 2roq h ILE 316 N 0.09 1.24 -0.26 0.35 1.08 -0.59 -1.13 117.51 118.29 2roq h ILE 316 Ca -0.01 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2roq h ILE 316 Cb 1.14 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2roq h ILE 316 CO 0.09 0.25 0.00 0.00 -0.69 0.00 0.00 178.15 177.80 2roq n ILE 317 N -4.41 1.04 -3.16 -0.67 0.13 -1.19 -4.56 119.36 106.53 2roq n ILE 317 Ca 0.10 -0.56 -0.23 0.00 -1.10 0.00 0.00 62.75 60.96 2roq n ILE 317 Cb 0.04 -0.29 0.00 0.00 -0.84 0.00 0.00 39.64 38.55 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 -0.46 5.98 0.00 9.51 1.04 -0.43 -4.97 113.70 124.37 2roq s SER 318 Ca 0.23 0.26 0.15 0.00 0.48 0.00 0.00 55.95 57.08 2roq s SER 318 Cb 0.17 -1.63 0.83 0.00 0.10 0.00 0.00 66.02 65.48 2roq s SER 318 CO 0.08 -0.55 1.38 -0.81 0.98 0.00 0.00 173.24 174.32 2roq n PRO 319 N -1.94 0.33 0.01 4.02 -0.04 -1.26 -2.73 135.00 133.38 2roq n PRO 319 Ca -0.01 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 2roq n PRO 319 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2roq n PRO 319 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2roq h GLY 320 N 2.45 0.21 1.04 0.55 0.00 -1.93 -3.31 103.07 102.08 2roq h GLY 320 Ca 0.00 -0.54 -0.22 0.00 0.00 0.00 0.00 47.33 46.57 2roq h GLY 320 CO 0.00 0.48 -0.85 -0.84 0.00 0.00 0.00 176.54 175.33 2roq h THR 321 N 0.05 1.33 -0.18 4.70 2.02 -1.69 -2.13 112.91 117.02 2roq h THR 321 Ca -0.34 -2.15 0.02 0.00 0.77 0.00 0.00 66.41 64.71 2roq h THR 321 Cb 2.03 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 70.84 2roq h THR 321 CO 0.10 0.65 0.12 -0.26 0.37 0.00 0.00 175.52 176.50 2roq h PHE 322 N 0.22 0.16 0.00 3.16 0.04 -1.73 0.25 116.94 119.04 2roq h PHE 322 Ca -0.10 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.56 2roq h PHE 322 Cb 1.52 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.60 2roq h PHE 322 CO 0.12 0.09 -1.00 1.05 -0.60 0.00 0.00 178.31 177.97 2roq h GLU 323 N 0.16 0.00 0.00 1.51 4.11 -1.64 -3.31 114.58 115.41 2roq h GLU 323 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 2roq h GLU 323 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2roq h GLU 323 CO -0.01 0.29 -0.02 0.87 0.07 0.00 0.00 179.01 180.21 2roq h LYS 324 N 0.00 0.00 -2.50 1.06 1.57 -0.50 -3.38 116.57 112.81 2roq h LYS 324 Ca -0.08 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 57.90 2roq h LYS 324 Cb 1.40 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.46 2roq h LYS 324 CO 0.04 0.51 1.18 0.44 -0.57 0.00 0.00 179.45 181.06 2roq n ILE 325 N -4.69 5.77 -0.00 1.86 -5.35 0.76 -4.74 119.36 112.97 2roq n ILE 325 Ca -0.05 -5.72 -0.00 0.00 -0.27 0.00 0.00 62.75 56.71 2roq n ILE 325 Cb 0.25 -1.77 -0.00 0.00 -1.74 0.00 0.00 39.64 36.38 2roq n ILE 325 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2roq n GLY 326 N 0.59 -0.54 0.00 3.28 0.00 -1.25 -3.80 105.19 103.48 2roq n GLY 326 Ca 0.43 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.52 2roq n GLY 326 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2roq n PRO 327 N -2.33 0.11 -0.02 1.61 -0.04 -1.26 -1.70 135.00 131.37 2roq n PRO 327 Ca -0.00 0.20 -0.07 0.00 -0.04 0.00 0.00 63.50 63.59 2roq n PRO 327 Cb 0.01 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 2roq n PRO 327 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2roq n ILE 328 N -1.39 1.52 -0.03 0.52 -6.64 -1.26 -3.19 119.36 108.89 2roq n ILE 328 Ca 0.05 -0.78 -0.10 0.00 -1.77 0.00 0.00 62.75 60.15 2roq n ILE 328 Cb 0.14 -0.95 -0.14 0.00 -1.44 0.00 0.00 39.64 37.25 2roq n ILE 328 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2roq n ILE 329 N -3.00 1.58 0.01 7.28 0.00 -1.00 -3.11 119.36 121.13 2roq n ILE 329 Ca -0.16 -0.79 -0.18 0.00 0.00 0.00 0.00 62.75 61.61 2roq n ILE 329 Cb 1.02 -1.00 -0.08 0.00 0.00 0.00 0.00 39.64 39.58 2roq n ILE 329 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2roq h ARG 330 N 0.01 0.73 -0.07 9.51 1.12 -1.50 -2.13 114.38 122.04 2roq h ARG 330 Ca -0.35 -0.68 -0.21 0.00 -1.11 0.00 0.00 59.98 57.64 2roq h ARG 330 Cb 2.05 0.17 0.00 0.00 -0.01 0.00 0.00 29.97 32.18 2roq h ARG 330 CO 0.07 1.27 -0.82 0.00 -3.11 0.00 0.00 179.97 177.38 2roq h ALA 331 N 0.51 0.44 -0.33 2.80 0.00 -1.72 -1.63 119.26 119.33 2roq h ALA 331 Ca -0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 2roq h ALA 331 Cb 1.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2roq h ALA 331 CO 0.18 0.75 -0.16 1.15 0.00 0.00 0.00 179.25 181.17 2roq h THR 332 N 0.33 1.29 0.00 0.00 2.02 -1.59 -1.55 112.91 113.41 2roq h THR 332 Ca -0.06 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.85 2roq h THR 332 Cb 1.43 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2roq h THR 332 CO 0.15 0.41 0.00 -0.07 0.37 0.00 0.00 175.52 176.38 2roq h LEU 333 N 0.47 0.00 0.00 2.58 3.38 -1.43 -2.10 115.31 118.21 2roq h LEU 333 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2roq h LEU 333 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2roq h LEU 333 CO 0.05 0.00 -0.68 0.78 0.09 0.00 0.00 178.44 178.68 2roq h ASN 334 N 0.00 0.00 0.33 -0.43 4.21 -1.09 -1.81 115.58 116.79 2roq h ASN 334 Ca 0.00 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.20 2roq h ASN 334 Cb 0.78 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.93 2roq h ASN 334 CO 0.00 0.12 -1.93 -2.11 -1.29 0.00 0.00 177.43 172.22 2roq n ARG 335 N -2.89 0.65 0.05 0.81 1.85 -0.60 -3.83 116.66 112.70 2roq n ARG 335 Ca 0.00 0.20 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 2roq n ARG 335 Cb 0.60 -1.70 0.01 0.00 -1.05 0.00 0.00 32.46 30.31 2roq n ARG 335 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2roq n LEU 336 N -2.94 0.62 0.10 2.89 -0.00 -0.80 -4.40 117.00 112.47 2roq n LEU 336 Ca -0.22 0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 55.79 2roq n LEU 336 Cb 1.08 -0.08 -0.08 0.00 -0.00 0.00 0.00 43.42 44.34 2roq n LEU 336 CO 0.44 -0.05 0.51 -0.33 -0.00 0.00 0.00 177.39 177.96 2roq h GLU 337 N 0.00 -0.60 0.00 1.47 5.08 -1.49 -3.47 114.58 115.58 2roq h GLU 337 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2roq h GLU 337 Cb 0.86 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2roq h GLU 337 CO 0.00 -0.40 0.00 1.58 -1.00 0.00 0.00 179.01 179.19 2roq n HIS 338 N -4.86 -2.32 -3.08 4.33 -0.00 -1.26 -5.04 115.22 102.98 2roq n HIS 338 Ca -0.07 0.19 0.03 0.00 -0.00 0.00 0.00 57.72 57.88 2roq n HIS 338 Cb 0.33 0.83 -0.00 0.00 -0.00 0.00 0.00 29.99 31.15 2roq n HIS 338 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2roq s HIS 339 N -1.14 -1.07 -0.44 1.57 2.46 -1.26 -5.06 115.29 110.35 2roq s HIS 339 Ca 0.00 0.45 0.02 0.00 0.47 0.00 0.00 55.06 56.00 2roq s HIS 339 Cb 0.00 0.19 0.13 0.00 -0.13 0.00 0.00 32.58 32.77 2roq s HIS 339 CO 0.00 -0.66 0.23 -1.58 -2.47 0.00 0.00 174.74 170.26 2roq s HIS 340 N 2.51 2.12 1.10 3.88 5.04 -1.25 -5.11 115.29 123.58 2roq s HIS 340 Ca 0.18 -2.48 -0.18 0.00 -1.54 0.00 0.00 55.06 51.04 2roq s HIS 340 Cb -0.03 -2.00 0.09 0.00 0.04 0.00 0.00 32.58 30.68 2roq s HIS 340 CO -0.19 -0.79 0.02 0.72 -2.34 0.00 0.00 174.74 172.17 2roq n HIS 341 N 3.58 -1.44 -1.72 3.88 8.25 -1.26 -4.82 115.22 121.69 2roq n HIS 341 Ca 0.07 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.27 2roq n HIS 341 Cb 0.35 -1.59 -0.03 0.00 1.12 0.00 0.00 29.99 29.84 2roq n HIS 341 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2roq n HIS 342 N -4.31 2.73 -0.45 4.41 1.44 -1.26 -5.13 115.22 112.65 2roq n HIS 342 Ca 0.01 0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.83 2roq n HIS 342 Cb 0.61 -2.64 0.00 0.00 0.12 0.00 0.00 29.99 28.08 2roq n HIS 342 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25