#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 3.25 0.80 4.03 1.43 -1.26 -5.13 118.68 121.81 2roq s LEU 2 Ca 0.00 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2roq s LEU 2 Cb 0.00 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2roq s LEU 2 CO 0.00 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 2roq s PRO 3 N -3.55 2.02 0.16 1.29 0.04 -1.26 -5.07 135.00 128.62 2roq s PRO 3 Ca 0.31 1.09 0.10 0.00 0.04 0.00 0.00 61.00 62.53 2roq s PRO 3 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2roq s PRO 3 CO 0.20 -1.79 -0.21 -1.21 0.04 0.00 0.00 177.00 174.03 2roq s GLU 4 N -4.91 1.33 -0.46 4.56 0.41 -1.26 -5.09 118.70 113.27 2roq s GLU 4 Ca 0.62 -1.39 0.06 0.00 -0.41 0.00 0.00 54.97 53.85 2roq s GLU 4 Cb -0.17 -1.55 0.22 0.00 -1.78 0.00 0.00 34.13 30.85 2roq s GLU 4 CO 0.56 0.34 0.50 1.28 -0.49 0.00 0.00 175.26 177.45 2roq n LEU 5 N 0.49 0.81 0.00 1.80 4.77 -1.26 -5.00 117.00 118.61 2roq n LEU 5 Ca -0.15 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.07 2roq n LEU 5 Cb 0.56 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2roq n LEU 5 CO 0.27 1.98 0.25 0.29 -1.33 0.00 0.00 177.39 178.86 2roq n LYS 6 N 1.78 0.00 -3.67 3.23 5.02 -1.26 -4.98 118.16 118.28 2roq n LYS 6 Ca 0.25 0.28 -0.15 0.00 -2.02 0.00 0.00 58.31 56.66 2roq n LYS 6 Cb 0.48 -1.10 -0.08 0.00 -0.02 0.00 0.00 35.03 34.31 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq s ALA 7 N -2.86 -1.19 -0.08 7.82 0.00 -1.26 -5.08 121.76 119.11 2roq s ALA 7 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 2roq s ALA 7 Cb 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 2roq s ALA 7 CO 0.00 -0.30 0.50 0.37 0.00 0.00 0.00 175.76 176.33 2roq h GLN 8 N 3.67 -0.18 -4.90 0.00 4.15 -1.92 -3.48 115.11 112.45 2roq h GLN 8 Ca -0.28 0.01 -0.29 0.00 0.77 0.00 0.00 58.65 58.86 2roq h GLN 8 Cb 1.16 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.75 2roq h GLN 8 CO 0.38 0.12 -0.71 0.00 -1.93 0.00 0.00 178.83 176.69 2roq s ALA 9 N -3.15 1.25 -0.72 3.38 0.00 -1.26 -5.03 121.76 116.23 2roq s ALA 9 Ca -0.08 -1.42 0.19 0.00 0.00 0.00 0.00 51.96 50.65 2roq s ALA 9 Cb -0.00 0.09 0.81 0.00 0.00 0.00 0.00 23.12 24.02 2roq s ALA 9 CO 0.28 -0.15 1.59 -0.35 0.00 0.00 0.00 175.76 177.14 2roq n PRO 10 N -0.11 0.10 0.00 0.00 -0.04 -1.26 -4.66 135.00 129.04 2roq n PRO 10 Ca -0.11 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2roq n PRO 10 Cb 0.61 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 2.07 3.56 0.55 0.00 -1.26 -4.35 105.19 105.73 2roq n GLY 11 Ca 0.03 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 1.67 2.98 -0.31 1.61 3.00 -1.26 0.06 118.95 126.71 2roq s ARG 12 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 55.73 56.20 2roq s ARG 12 Cb 0.00 -4.26 0.25 0.00 0.00 0.00 0.00 34.95 30.94 2roq s ARG 12 CO 0.00 -2.32 1.24 0.00 0.00 0.00 0.00 175.30 174.22 2roq n ALA 13 N 11.07 -4.02 -1.24 2.13 0.00 -1.26 -4.72 120.51 122.47 2roq n ALA 13 Ca 0.16 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 2roq n ALA 13 Cb 0.50 -3.58 0.11 0.00 0.00 0.00 0.00 19.45 16.48 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 0.47 1.93 0.50 0.00 0.04 -1.26 -4.34 135.00 132.33 2roq s PRO 14 Ca 0.24 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.36 2roq s PRO 14 Cb 0.18 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2roq s PRO 14 CO -0.08 -1.84 0.00 0.15 0.04 0.00 0.00 177.00 175.27 2roq s LYS 15 N -4.91 2.17 0.00 4.56 1.02 -1.26 -4.92 119.74 116.40 2roq s LYS 15 Ca 0.62 -2.37 0.21 0.00 0.02 0.00 0.00 55.97 54.45 2roq s LYS 15 Cb -0.17 -1.55 0.32 0.00 -0.52 0.00 0.00 37.83 35.91 2roq s LYS 15 CO 0.56 -0.32 1.28 0.00 -0.92 0.00 0.00 175.35 175.95 2roq n ALA 16 N -1.23 2.41 -2.11 5.17 0.00 -1.26 -3.53 120.51 119.96 2roq n ALA 16 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2roq n ALA 16 Cb 0.67 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 1.27 0.81 0.10 0.00 0.00 -1.26 -4.75 105.19 101.36 2roq n GLY 17 Ca 0.16 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.43 0.01 1.61 7.64 -1.26 -1.13 113.62 120.92 2roq n SER 18 Ca 0.00 0.65 0.14 0.00 1.01 0.00 0.00 58.87 60.67 2roq n SER 18 Cb 0.00 -0.73 0.54 0.00 -1.01 0.00 0.00 64.21 63.01 2roq n SER 18 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2roq n GLU 19 N -2.03 0.03 0.00 1.43 4.07 -1.26 -3.71 120.64 119.17 2roq n GLU 19 Ca 0.01 0.02 -0.20 0.00 -0.06 0.00 0.00 57.16 56.93 2roq n GLU 19 Cb 0.11 -1.53 -0.14 0.00 -0.06 0.00 0.00 31.44 29.82 2roq n GLU 19 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2roq h THR 20 N 0.00 1.34 -0.75 6.31 2.02 -1.17 -2.29 112.91 118.38 2roq h THR 20 Ca 0.00 -2.43 0.08 0.00 0.77 0.00 0.00 66.41 64.84 2roq h THR 20 Cb 0.53 2.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.87 2roq h THR 20 CO 0.00 0.66 0.49 0.16 0.37 0.00 0.00 175.52 177.20 2roq h ILE 21 N -0.52 0.97 0.00 3.11 3.07 -1.67 0.32 117.51 122.80 2roq h ILE 21 Ca -0.19 -0.24 -0.00 0.00 1.55 0.00 0.00 64.86 65.97 2roq h ILE 21 Cb 1.54 0.20 -0.00 0.00 -0.27 0.00 0.00 36.82 38.29 2roq h ILE 21 CO 0.06 0.13 -0.01 0.16 -1.05 0.00 0.00 178.15 177.44 2roq h ILE 22 N 0.71 1.62 -0.30 0.16 3.07 -1.68 -2.31 117.51 118.78 2roq h ILE 22 Ca 0.34 -2.22 0.04 0.00 1.55 0.00 0.00 64.86 64.57 2roq h ILE 22 Cb 0.38 3.06 -0.04 0.00 -0.27 0.00 0.00 36.82 39.95 2roq h ILE 22 CO -0.12 0.55 0.08 0.00 -1.05 0.00 0.00 178.15 177.61 2roq h ALA 23 N -0.10 0.33 -0.55 0.16 0.00 -1.18 -1.47 119.26 116.45 2roq h ALA 23 Ca -0.00 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2roq h ALA 23 Cb 0.91 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2roq h ALA 23 CO -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 179.25 178.84 2roq h ALA 24 N 1.21 0.82 -0.67 0.00 0.00 -0.51 -2.30 119.26 117.80 2roq h ALA 24 Ca 0.14 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 24 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2roq h ALA 24 CO -0.16 0.67 0.44 0.00 0.00 0.00 0.00 179.25 180.20 2roq h ALA 25 N 0.99 1.67 -0.04 0.00 0.00 -0.92 0.40 119.26 121.35 2roq h ALA 25 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 25 Cb 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2roq h ALA 25 CO 0.04 0.25 -0.22 0.74 0.00 0.00 0.00 179.25 180.06 2roq h PHE 26 N 0.76 0.29 0.00 0.00 -1.00 -1.05 -2.21 116.94 113.73 2roq h PHE 26 Ca 0.28 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2roq h PHE 26 Cb 0.14 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2roq h PHE 26 CO -0.00 0.86 0.00 0.45 -1.61 0.00 0.00 178.31 178.01 2roq n SER 27 N -4.54 0.00 -0.06 2.17 2.88 -0.88 -0.12 113.62 113.07 2roq n SER 27 Ca -0.09 -0.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.38 2roq n SER 27 Cb 0.46 -0.30 -0.15 0.00 -0.75 0.00 0.00 64.21 63.47 2roq n SER 27 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2roq n SER 28 N -1.30 0.28 -0.12 -3.46 7.64 0.14 0.78 113.62 117.57 2roq n SER 28 Ca 0.11 0.13 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2roq n SER 28 Cb 0.19 0.78 -0.10 0.00 -1.01 0.00 0.00 64.21 64.07 2roq n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2roq n LEU 29 N -2.78 2.21 0.23 -3.43 4.77 -0.84 -4.37 117.00 112.80 2roq n LEU 29 Ca -0.24 0.16 0.16 0.00 -0.03 0.00 0.00 56.01 56.06 2roq n LEU 29 Cb 1.04 -0.78 0.82 0.00 -2.33 0.00 0.00 43.42 42.17 2roq n LEU 29 CO 0.44 0.66 0.98 -0.07 -1.33 0.00 0.00 177.39 178.06 2roq h LEU 30 N -0.59 0.00 -0.17 2.23 3.38 -0.75 -3.45 115.31 115.95 2roq h LEU 30 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2roq h LEU 30 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2roq h LEU 30 CO -0.28 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.86 2roq n GLY 31 N -0.99 0.92 7.00 0.83 0.00 -1.26 -4.98 105.19 106.71 2roq n GLY 31 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2roq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roq n ASP 33 N -1.10 -4.58 -4.01 0.00 8.00 -1.26 -4.79 116.55 108.80 2roq n ASP 33 Ca 0.00 0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.22 2roq n ASP 33 Cb 0.00 -2.21 -0.15 0.00 -0.02 0.00 0.00 41.12 38.74 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2roq s VAL 34 N -1.58 1.99 -0.33 2.53 1.01 -1.26 -4.95 120.40 117.80 2roq s VAL 34 Ca 0.00 -1.69 0.16 0.00 0.00 0.00 0.00 61.98 60.45 2roq s VAL 34 Cb 0.00 -2.24 0.45 0.00 0.00 0.00 0.00 36.38 34.59 2roq s VAL 34 CO 0.00 -0.20 1.16 1.67 0.00 0.00 0.00 175.10 177.73 2roq n GLN 35 N 4.46 1.31 -4.61 2.72 7.27 -1.26 -4.12 117.38 123.16 2roq n GLN 35 Ca -0.09 -2.70 -0.28 0.00 0.07 0.00 0.00 57.00 54.00 2roq n GLN 35 Cb 0.42 -0.82 -0.09 0.00 2.41 0.00 0.00 30.24 32.17 2roq n GLN 35 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2roq s ASP 36 N -2.55 3.39 0.00 1.69 1.01 -1.26 -4.35 116.67 114.60 2roq s ASP 36 Ca 0.24 -1.53 0.05 0.00 0.71 0.00 0.00 52.55 52.01 2roq s ASP 36 Cb 0.41 0.17 -0.05 0.00 1.01 0.00 0.00 42.92 44.46 2roq s ASP 36 CO -0.03 -0.72 0.23 0.00 0.21 0.00 0.00 175.17 174.86 2roq n ALA 37 N -0.99 2.67 -1.78 5.23 0.00 0.11 -4.60 120.51 121.15 2roq n ALA 37 Ca -0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 2roq n ALA 37 Cb 0.66 -0.19 0.13 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.08 3.17 -4.79 0.00 2.03 -1.22 -0.03 116.55 114.62 2roq n ASP 38 Ca 0.01 -3.84 -0.39 0.00 0.52 0.00 0.00 54.79 51.09 2roq n ASP 38 Cb 0.08 -0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.97 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 -3.40 3.52 -0.26 -1.67 0.00 -1.26 -4.88 121.76 113.81 2roq s ALA 39 Ca 0.44 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 2roq s ALA 39 Cb 0.39 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 2roq s ALA 39 CO -0.02 0.34 0.15 -0.51 0.00 0.00 0.00 175.76 175.72 2roq s ASP 40 N -1.09 5.88 0.34 0.00 1.11 -1.26 -3.54 116.67 118.11 2roq s ASP 40 Ca 0.32 0.00 0.14 0.00 0.18 0.00 0.00 52.55 53.19 2roq s ASP 40 Cb -0.21 -2.07 1.08 0.00 1.07 0.00 0.00 42.92 42.79 2roq s ASP 40 CO 0.22 0.00 1.64 0.15 1.18 0.00 0.00 175.17 178.36 2roq h PHE 41 N 7.99 0.77 0.01 4.23 3.04 -1.95 0.33 116.94 131.36 2roq h PHE 41 Ca -0.37 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2roq h PHE 41 Cb 1.18 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 2roq h PHE 41 CO 0.71 -0.27 -0.03 0.74 -2.02 0.00 0.00 178.31 177.43 2roq h PHE 42 N 0.21 -0.09 -0.10 0.41 0.04 -1.93 0.27 116.94 115.76 2roq h PHE 42 Ca 0.73 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.48 2roq h PHE 42 Cb 1.71 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.89 2roq h PHE 42 CO -0.07 -0.04 -0.06 0.00 -0.60 0.00 0.00 178.31 177.54 2roq h ALA 43 N -1.49 1.73 0.00 2.45 0.00 -1.59 -1.22 119.26 119.13 2roq h ALA 43 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 43 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2roq h ALA 43 CO -0.02 0.21 0.00 -0.07 0.00 0.00 0.00 179.25 179.37 2roq h LEU 44 N 0.14 0.00 -0.17 0.00 3.38 0.11 -3.46 115.31 115.31 2roq h LEU 44 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2roq h LEU 44 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2roq h LEU 44 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2roq n GLY 45 N -0.90 0.90 3.23 0.83 0.00 -0.46 -4.92 105.19 103.86 2roq n GLY 45 Ca -0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.09 -1.77 0.00 -0.02 0.00 0.83 -4.91 105.19 99.24 2roq n GLY 46 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.81 0.00 0.64 1.61 -0.00 -1.26 -4.55 115.22 107.85 2roq n HIS 47 Ca 0.14 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.41 2roq n HIS 47 Cb 0.50 0.00 0.39 0.00 -0.12 0.00 0.00 29.99 30.76 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq n ALA 48 N 0.00 1.84 -0.03 1.57 0.00 -1.26 -2.46 120.51 120.17 2roq n ALA 48 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 2roq n ALA 48 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.48 1.44 -0.15 0.00 4.32 -1.26 -3.99 117.00 115.87 2roq n LEU 49 Ca 0.05 0.23 -0.03 0.00 -0.02 0.00 0.00 56.01 56.23 2roq n LEU 49 Cb 0.21 -0.52 0.04 0.00 -1.62 0.00 0.00 43.42 41.52 2roq n LEU 49 CO 0.17 -0.35 0.78 -0.07 -1.22 0.00 0.00 177.39 176.70 2roq h LEU 50 N -0.52 -0.42 -0.89 2.23 -0.00 -1.91 0.38 115.31 114.19 2roq h LEU 50 Ca -0.07 0.14 -0.09 0.00 -0.00 0.00 0.00 57.88 57.86 2roq h LEU 50 Cb 0.68 0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 2roq h LEU 50 CO -0.04 -0.15 -0.43 0.00 -0.00 0.00 0.00 178.44 177.81 2roq h ALA 51 N 1.48 0.99 -0.00 1.53 0.00 -1.77 -2.16 119.26 119.33 2roq h ALA 51 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 51 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2roq h ALA 51 CO -0.49 0.54 -0.00 1.98 0.00 0.00 0.00 179.25 181.28 2roq h MET 52 N 0.00 0.01 -0.10 0.00 1.85 -1.02 0.28 114.93 115.95 2roq h MET 52 Ca -0.00 -0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.99 2roq h MET 52 Cb 0.95 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.96 2roq h MET 52 CO 0.06 0.52 -0.33 0.87 -0.40 0.00 0.00 176.91 177.62 2roq h LYS 53 N -0.50 0.20 0.02 0.39 1.79 -0.38 -2.16 116.57 115.93 2roq h LYS 53 Ca 0.00 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2roq h LYS 53 Cb 0.52 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2roq h LYS 53 CO 0.00 0.51 -0.01 1.25 -1.08 0.00 0.00 179.45 180.13 2roq h LEU 54 N 0.17 -0.02 -0.60 2.94 6.46 -1.38 -1.87 115.31 121.01 2roq h LEU 54 Ca 0.02 -0.75 0.10 0.00 -0.12 0.00 0.00 57.88 57.13 2roq h LEU 54 Cb 0.68 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.54 2roq h LEU 54 CO 0.05 0.79 0.21 0.00 -0.62 0.00 0.00 178.44 178.87 2roq h ALA 55 N -0.02 0.76 -0.07 1.25 0.00 -0.43 0.10 119.26 120.86 2roq h ALA 55 Ca -0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2roq h ALA 55 Cb 0.77 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2roq h ALA 55 CO 0.00 -0.22 -0.58 0.00 0.00 0.00 0.00 179.25 178.46 2roq h ALA 56 N 1.43 0.88 -0.15 0.00 0.00 -1.50 -2.15 119.26 117.77 2roq h ALA 56 Ca 0.31 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 56 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2roq h ALA 56 CO -0.32 0.71 0.01 0.37 0.00 0.00 0.00 179.25 180.02 2roq h GLN 57 N 0.18 0.26 0.01 0.00 4.15 -0.32 -2.21 115.11 117.18 2roq h GLN 57 Ca -0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2roq h GLN 57 Cb 1.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2roq h GLN 57 CO 0.09 0.47 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.39 2roq h LEU 58 N 0.01 -0.01 -2.13 -2.39 3.38 -0.87 0.14 115.31 113.43 2roq h LEU 58 Ca 0.04 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.80 2roq h LEU 58 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2roq h LEU 58 CO 0.01 0.28 0.28 0.77 0.09 0.00 0.00 178.44 179.87 2roq h SER 59 N -0.31 0.00 0.21 -0.43 4.64 -1.42 0.45 113.55 116.70 2roq h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2roq h SER 59 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2roq h SER 59 CO 0.00 0.00 -1.16 0.54 -0.87 0.00 0.00 176.83 175.34 2roq n ARG 60 N -3.80 0.24 0.00 4.77 5.12 -0.83 -2.60 116.66 119.57 2roq n ARG 60 Ca 0.04 -0.04 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 2roq n ARG 60 Cb 0.43 -1.54 -0.07 0.00 -1.16 0.00 0.00 32.46 30.11 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 -1.83 0.19 0.00 5.56 1.13 0.10 -4.28 117.38 118.25 2roq n GLN 61 Ca 0.02 -0.15 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2roq n GLN 61 Cb 0.42 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.27 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2roq n VAL 62 N -1.27 0.00 -1.12 5.09 0.24 0.12 -4.99 118.33 116.40 2roq n VAL 62 Ca 0.05 -0.44 -0.04 0.00 -2.04 0.00 0.00 64.34 61.87 2roq n VAL 62 Cb 0.35 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.50 -0.06 -3.31 2.33 0.00 -1.07 -4.97 120.51 112.93 2roq n ALA 63 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 2roq n ALA 63 Cb 0.01 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.96 0.85 -3.57 0.00 3.00 -1.11 -5.02 116.66 109.85 2roq n ARG 64 Ca -0.04 -2.00 -0.40 0.00 -0.00 0.00 0.00 57.85 55.41 2roq n ARG 64 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.76 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 -3.52 2.72 -0.35 -0.14 -0.21 -1.26 -4.55 119.66 112.34 2roq s GLN 65 Ca 0.30 -2.16 -0.11 0.00 0.02 0.00 0.00 55.36 53.41 2roq s GLN 65 Cb -0.02 -3.95 0.01 0.00 1.00 0.00 0.00 33.01 30.05 2roq s GLN 65 CO 0.19 -1.20 0.19 0.08 -2.12 0.00 0.00 175.29 172.43 2roq s VAL 66 N 0.64 4.62 0.00 1.09 1.01 -1.26 -4.68 120.40 121.82 2roq s VAL 66 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2roq s VAL 66 Cb -0.21 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2roq s VAL 66 CO -0.03 -0.12 0.00 0.41 0.00 0.00 0.00 175.10 175.36 2roq n THR 67 N 5.00 0.00 -2.04 3.92 -1.04 -1.26 -4.56 114.28 114.29 2roq n THR 67 Ca -0.13 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 2roq n THR 67 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 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 2.58 -1.90 -2.82 0.04 -1.26 -3.44 135.00 128.20 2roq s PRO 68 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2roq s PRO 68 Cb 0.00 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.75 2roq s PRO 68 CO 0.00 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.33 2roq n GLY 69 N 6.38 0.69 0.01 0.56 0.00 -1.26 -4.83 105.19 106.75 2roq n GLY 69 Ca 0.32 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.65 0.62 -3.84 1.61 1.13 -1.22 -3.45 117.38 109.57 2roq n GLN 70 Ca -0.22 -0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 54.57 2roq n GLN 70 Cb 0.66 -1.53 -0.08 0.00 0.11 0.00 0.00 30.24 29.40 2roq n GLN 70 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2roq s VAL 71 N -3.48 0.11 -0.39 5.09 1.01 -1.26 -4.41 120.40 117.07 2roq s VAL 71 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2roq s VAL 71 Cb 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2roq s VAL 71 CO 0.90 -0.51 0.00 0.23 0.00 0.00 0.00 175.10 175.73 2roq n MET 72 N 0.56 -1.22 0.00 2.72 2.81 -1.26 -4.18 117.12 116.55 2roq n MET 72 Ca -0.18 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2roq n MET 72 Cb 0.59 -4.51 0.00 0.00 -0.71 0.00 0.00 33.22 28.59 2roq n MET 72 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2roq n VAL 73 N -2.41 0.00 -0.38 2.03 0.24 -1.26 -4.94 118.33 111.61 2roq n VAL 73 Ca -0.04 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.22 2roq n VAL 73 Cb 0.36 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.73 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 74 N -0.25 -0.28 0.00 2.33 0.00 -1.22 -4.24 120.51 116.85 2roq n ALA 74 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.35 2roq n ALA 74 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2roq n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2roq n SER 75 N -5.35 0.00 -1.48 0.00 7.64 -1.26 -4.43 113.62 108.74 2roq n SER 75 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 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 0.13 0.44 5.66 -1.26 -4.85 114.28 114.40 2roq n THR 76 Ca 0.00 -0.06 -0.16 0.00 -3.05 0.00 0.00 64.05 60.78 2roq n THR 76 Cb 0.00 0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 68.81 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 1.18 0.06 -0.41 1.08 2.07 -1.57 0.14 116.25 118.80 2roq h VAL 77 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2roq h VAL 77 Cb 0.22 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 29.96 2roq h VAL 77 CO 0.06 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 177.26 2roq h ALA 78 N -0.43 -0.33 -0.94 1.67 0.00 -0.77 0.64 119.26 119.10 2roq h ALA 78 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2roq h ALA 78 Cb 0.75 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2roq h ALA 78 CO -0.25 -0.81 0.60 -0.22 0.00 0.00 0.00 179.25 178.57 2roq h LYS 79 N -0.30 0.96 -0.89 0.00 3.11 -1.74 -1.36 116.57 116.36 2roq h LYS 79 Ca 0.15 -0.06 0.15 0.00 -2.81 0.00 0.00 60.65 58.09 2roq h LYS 79 Cb 0.57 -0.22 -0.09 0.00 -1.00 0.00 0.00 32.23 31.49 2roq h LYS 79 CO -0.57 0.64 0.49 1.25 -2.81 0.00 0.00 179.45 178.44 2roq h LEU 80 N 0.99 0.62 -0.36 5.20 7.12 0.17 0.31 115.31 129.35 2roq h LEU 80 Ca 0.43 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.49 2roq h LEU 80 Cb 0.34 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 2roq h LEU 80 CO -0.19 0.26 -0.19 0.00 -0.13 0.00 0.00 178.44 178.20 2roq h ALA 81 N 1.57 0.91 0.00 1.25 0.00 -0.83 -2.27 119.26 119.89 2roq h ALA 81 Ca 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2roq h ALA 81 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2roq h ALA 81 CO -0.35 0.24 -0.41 1.15 0.00 0.00 0.00 179.25 179.87 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 0.01 -2.24 112.91 112.70 2roq h THR 82 Ca -0.00 -0.53 -0.36 0.00 0.77 0.00 0.00 66.41 66.29 2roq h THR 82 Cb 1.02 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 2roq h THR 82 CO 0.02 0.00 -2.26 2.30 0.37 0.00 0.00 175.52 175.95 2roq n ILE 83 N -2.23 1.45 0.01 3.11 -5.35 0.74 -1.89 119.36 115.21 2roq n ILE 83 Ca 0.04 -0.81 -0.09 0.00 -0.27 0.00 0.00 62.75 61.63 2roq n ILE 83 Cb 0.44 -0.72 -0.13 0.00 -1.74 0.00 0.00 39.64 37.49 2roq n ILE 83 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 2roq h ILE 84 N 0.00 1.13 0.11 7.28 3.07 -1.52 -3.01 117.51 124.58 2roq h ILE 84 Ca -0.50 -2.93 -0.32 0.00 1.55 0.00 0.00 64.86 62.65 2roq h ILE 84 Cb 2.16 2.57 -0.01 0.00 -0.27 0.00 0.00 36.82 41.27 2roq h ILE 84 CO 0.03 0.66 -1.68 -0.78 -1.05 0.00 0.00 178.15 175.33 2roq h ASP 85 N 0.00 0.37 -0.31 2.16 3.58 -1.61 -3.44 116.42 117.17 2roq h ASP 85 Ca -0.20 -0.60 -0.03 0.00 0.42 0.00 0.00 57.03 56.62 2roq h ASP 85 Cb 1.94 -0.12 -0.15 0.00 1.72 0.00 0.00 39.33 42.72 2roq h ASP 85 CO 0.10 1.51 -0.19 0.00 -2.88 0.00 0.00 179.24 177.78 2roq n ALA 86 N -2.74 -3.37 -1.76 -0.78 0.00 -1.17 -5.06 120.51 105.63 2roq n ALA 86 Ca -0.21 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 2roq n ALA 86 Cb 1.05 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 2roq n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 87 N 0.87 2.29 -0.18 0.00 -6.30 -0.79 -4.52 118.70 110.08 2roq s GLU 87 Ca 0.25 1.03 -0.21 0.00 -2.50 0.00 0.00 54.97 53.54 2roq s GLU 87 Cb 0.12 -4.53 -0.18 0.00 0.00 0.00 0.00 34.13 29.54 2roq s GLU 87 CO -0.10 -3.11 0.29 0.93 0.02 0.00 0.00 175.26 173.29 2roq h GLU 88 N 17.39 0.00 0.00 4.30 5.08 -1.92 -3.50 114.58 135.94 2roq h GLU 88 Ca -0.23 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.88 2roq h GLU 88 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2roq h GLU 88 CO 1.18 0.81 -0.21 -0.40 -1.00 0.00 0.00 179.01 179.39 2roq n ASP 89 N -4.52 -0.67 -4.32 1.42 5.68 -1.26 -5.19 116.55 107.68 2roq n ASP 89 Ca -0.21 -2.35 -0.26 0.00 -0.50 0.00 0.00 54.79 51.47 2roq n ASP 89 Cb 0.54 1.38 -0.09 0.00 -1.14 0.00 0.00 41.12 41.80 2roq n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2roq s SER 90 N -2.48 2.91 0.20 -1.12 1.04 -1.26 -5.00 113.70 107.99 2roq s SER 90 Ca 0.23 -1.58 0.08 0.00 0.48 0.00 0.00 55.95 55.16 2roq s SER 90 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2roq s SER 90 CO 0.16 -0.82 0.01 -0.89 0.98 0.00 0.00 173.24 172.68 2roq s THR 91 N -3.17 3.69 -0.08 2.02 2.01 -1.26 -5.03 115.64 113.82 2roq s THR 91 Ca 0.25 -1.54 0.03 0.00 0.31 0.00 0.00 61.69 60.73 2roq s THR 91 Cb 0.04 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2roq s THR 91 CO 0.13 -0.19 0.09 0.54 -0.69 0.00 0.00 174.62 174.51 2roq n ARG 92 N -0.36 3.56 0.00 4.92 1.74 -1.26 -4.75 116.66 120.50 2roq n ARG 92 Ca -0.09 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2roq n ARG 92 Cb 0.56 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 2roq n ARG 92 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2roq n ARG 93 N -1.29 0.00 -4.13 5.56 1.74 -1.26 -4.79 116.66 112.49 2roq n ARG 93 Ca 0.00 0.66 -0.23 0.00 -0.77 0.00 0.00 57.85 57.51 2roq n ARG 93 Cb 0.06 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 2roq n ARG 93 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2roq s MET 94 N -2.81 2.35 1.90 5.56 -1.94 -1.26 -4.79 119.30 118.30 2roq s MET 94 Ca 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 55.69 52.42 2roq s MET 94 Cb 0.00 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.69 2roq s MET 94 CO 0.00 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.55 2roq n GLY 95 N -1.12 0.85 2.58 -0.03 0.00 -1.26 -4.82 105.19 101.39 2roq n GLY 95 Ca -0.03 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.00 -3.68 1.61 7.35 -1.26 -4.86 117.46 116.62 2roq n PHE 96 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 2roq n PHE 96 Cb 0.00 -2.51 0.02 0.00 0.35 0.00 0.00 39.48 37.34 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 -1.73 0.94 0.30 -4.13 1.02 -1.26 -5.02 120.64 110.77 2roq n GLU 97 Ca -0.12 -1.85 0.18 0.00 -0.02 0.00 0.00 57.16 55.34 2roq n GLU 97 Cb 0.51 2.32 0.96 0.00 -0.02 0.00 0.00 31.44 35.20 2roq n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2roq h THR 98 N 1.84 0.29 -3.99 2.62 1.03 -1.91 -3.42 112.91 109.37 2roq h THR 98 Ca -0.28 -0.19 -0.58 0.00 -0.01 0.00 0.00 66.41 65.34 2roq h THR 98 Cb 1.05 1.14 -0.23 0.00 -1.07 0.00 0.00 68.15 69.04 2roq h THR 98 CO 0.36 0.03 -0.84 -0.63 -0.01 0.00 0.00 175.52 174.43 2roq s ILE 99 N -4.24 1.78 -0.22 0.00 1.01 -1.26 -4.27 121.20 114.00 2roq s ILE 99 Ca -0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 60.65 59.10 2roq s ILE 99 Cb 0.13 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 41.07 2roq s ILE 99 CO 0.51 0.03 0.04 -1.48 0.00 0.00 0.00 174.94 174.04 2roq s LEU 100 N -1.75 1.39 -0.23 2.97 0.05 -1.26 -3.98 118.68 115.86 2roq s LEU 100 Ca 0.08 -0.99 -0.29 0.00 0.05 0.00 0.00 54.13 52.98 2roq s LEU 100 Cb -0.10 -0.66 -0.02 0.00 -2.05 0.00 0.00 46.19 43.36 2roq s LEU 100 CO 0.04 -0.32 1.62 -2.16 -0.55 0.00 0.00 176.35 174.97 2roq s PRO 101 N 1.81 3.76 0.25 1.48 0.04 -1.26 -4.33 135.00 136.75 2roq s PRO 101 Ca 0.01 1.62 0.24 0.00 0.04 0.00 0.00 61.00 62.91 2roq s PRO 101 Cb -0.17 -4.05 0.97 0.00 0.04 0.00 0.00 34.50 31.29 2roq s PRO 101 CO -0.12 -1.34 1.72 1.28 0.04 0.00 0.00 177.00 178.58 2roq n LEU 102 N 8.58 0.68 -3.17 -3.56 4.77 -0.93 -4.58 117.00 118.79 2roq n LEU 102 Ca 0.19 0.66 0.04 0.00 -0.03 0.00 0.00 56.01 56.87 2roq n LEU 102 Cb 0.45 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2roq n LEU 102 CO 0.65 -0.52 0.34 -0.60 -1.33 0.00 0.00 177.39 175.92 2roq s ARG 103 N -3.30 0.42 -0.25 3.23 6.06 -0.84 -4.90 118.95 119.37 2roq s ARG 103 Ca 0.05 0.76 -0.04 0.00 -2.50 0.00 0.00 55.73 53.99 2roq s ARG 103 Cb 0.10 0.42 0.09 0.00 0.06 0.00 0.00 34.95 35.61 2roq s ARG 103 CO 0.41 -0.44 0.12 -2.00 -2.50 0.00 0.00 175.30 170.89 2roq s GLU 104 N 2.88 0.15 0.00 5.12 2.12 -1.26 0.21 118.70 127.93 2roq s GLU 104 Ca 0.11 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2roq s GLU 104 Cb -0.13 -1.40 0.00 0.00 0.26 0.00 0.00 34.13 32.87 2roq s GLU 104 CO -0.17 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 2roq n GLY 105 N 5.26 0.00 0.49 -1.50 0.00 -1.26 -5.09 105.19 103.08 2roq n GLY 105 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.61 3.02 -1.26 -5.04 115.26 113.59 2roq n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2roq n ASN 106 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roq n GLY 107 N 3.60 -1.16 3.58 7.41 0.00 -1.26 -4.97 105.19 112.38 2roq n GLY 107 Ca 0.00 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 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 0.45 3.08 -0.30 1.61 0.04 -1.26 -4.75 135.00 133.86 2roq s PRO 108 Ca 0.00 1.02 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 2roq s PRO 108 Cb 0.00 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2roq s PRO 108 CO 0.00 -2.18 0.80 0.99 0.04 0.00 0.00 177.00 176.66 2roq s THR 109 N 7.58 4.78 -0.18 1.26 2.01 -1.26 -2.63 115.64 127.20 2roq s THR 109 Ca 0.72 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.96 2roq s THR 109 Cb -0.17 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.21 2roq s THR 109 CO 0.28 -0.25 -0.14 -1.48 -0.69 0.00 0.00 174.62 172.34 2roq s LEU 110 N 2.99 2.05 -0.00 4.42 0.05 -0.18 -4.20 118.68 123.80 2roq s LEU 110 Ca 0.33 -0.69 -0.27 0.00 0.05 0.00 0.00 54.13 53.55 2roq s LEU 110 Cb -0.14 -1.28 -0.04 0.00 -2.05 0.00 0.00 46.19 42.68 2roq s LEU 110 CO 0.12 -0.08 0.86 -0.36 -0.55 0.00 0.00 176.35 176.35 2roq s PHE 111 N 1.40 3.66 -0.42 3.48 0.40 -0.76 -2.63 117.98 123.11 2roq s PHE 111 Ca 0.02 1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 57.77 2roq s PHE 111 Cb -0.14 -2.97 0.05 0.00 0.51 0.00 0.00 43.02 40.46 2roq s PHE 111 CO -0.10 0.09 0.29 0.00 0.70 0.00 0.00 175.22 176.19 2roq s PHE 113 N 1.57 1.99 0.79 0.00 2.19 -0.60 -3.20 117.98 120.72 2roq s PHE 113 Ca 0.03 0.65 -0.15 0.00 0.33 0.00 0.00 56.93 57.79 2roq s PHE 113 Cb -0.21 -4.20 -0.02 0.00 -1.31 0.00 0.00 43.02 37.28 2roq s PHE 113 CO 0.06 -2.53 0.44 -2.39 1.83 0.00 0.00 175.22 172.63 2roq n HIS 114 N 10.08 -1.15 -0.02 10.12 1.44 -1.25 -4.18 115.22 130.26 2roq n HIS 114 Ca 0.20 0.31 -0.13 0.00 -2.01 0.00 0.00 57.72 56.09 2roq n HIS 114 Cb 0.48 -1.86 -0.10 0.00 0.12 0.00 0.00 29.99 28.63 2roq n HIS 114 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2roq h PRO 115 N -0.71 0.04 -5.01 -1.40 0.13 -1.89 -3.43 132.00 119.73 2roq h PRO 115 Ca -0.45 -0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 2roq h PRO 115 Cb 1.33 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 2roq h PRO 115 CO 0.40 0.52 -0.65 0.00 -0.23 0.00 0.00 178.00 178.03 2roq s ALA 116 N -4.25 1.71 -0.83 -0.56 0.00 -1.26 -3.93 121.76 112.64 2roq s ALA 116 Ca -0.16 -1.74 -0.25 0.00 0.00 0.00 0.00 51.96 49.81 2roq s ALA 116 Cb 0.02 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.73 2roq s ALA 116 CO 0.68 -0.28 1.31 -1.12 0.00 0.00 0.00 175.76 176.35 2roq s SER 117 N -3.28 6.29 0.00 0.00 0.01 -1.26 -4.40 113.70 111.06 2roq s SER 117 Ca 0.28 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2roq s SER 117 Cb 0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2roq s SER 117 CO 0.08 -1.67 0.00 0.61 0.41 0.00 0.00 173.24 172.67 2roq n GLY 118 N 5.87 -2.06 3.16 3.44 0.00 -1.24 -4.84 105.19 109.52 2roq n GLY 118 Ca 0.13 0.63 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.69 0.30 -0.10 1.61 0.40 -1.26 -2.54 117.98 115.70 2roq s PHE 119 Ca 0.00 -0.77 0.25 0.00 -0.60 0.00 0.00 56.93 55.80 2roq s PHE 119 Cb 0.00 -0.19 0.46 0.00 0.51 0.00 0.00 43.02 43.80 2roq s PHE 119 CO 0.00 -0.49 1.15 0.00 0.70 0.00 0.00 175.22 176.58 2roq n ALA 120 N -0.00 2.48 1.01 5.36 0.00 -1.26 -4.81 120.51 123.29 2roq n ALA 120 Ca -0.14 -2.53 0.11 0.00 0.00 0.00 0.00 53.44 50.88 2roq n ALA 120 Cb 0.62 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 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 0.05 0.00 1.44 0.00 8.01 -1.26 -4.09 117.44 121.58 2roq n TRP 121 Ca 0.07 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.33 2roq n TRP 121 Cb 1.01 -0.02 0.31 0.00 -2.01 0.00 0.00 31.31 30.60 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2roq n GLN 122 N -0.79 1.47 -0.50 -0.99 10.64 -1.26 -3.70 117.38 122.26 2roq n GLN 122 Ca 0.07 -0.72 0.05 0.00 -1.83 0.00 0.00 57.00 54.56 2roq n GLN 122 Cb 0.39 -1.29 0.24 0.00 -0.86 0.00 0.00 30.24 28.73 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 -0.01 1.16 -0.30 2.61 3.01 -1.26 -4.42 117.46 118.26 2roq n PHE 123 Ca 0.12 -0.42 0.27 0.00 1.01 0.00 0.00 57.45 58.43 2roq n PHE 123 Cb 0.21 -0.29 0.60 0.00 -0.01 0.00 0.00 39.48 39.99 2roq n PHE 123 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2roq h SER 124 N 2.50 0.27 -0.79 4.37 0.87 -1.79 0.36 113.55 119.34 2roq h SER 124 Ca 0.00 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2roq h SER 124 Cb 1.27 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.18 2roq h SER 124 CO 0.25 0.06 0.52 1.62 -0.53 0.00 0.00 176.83 178.75 2roq h VAL 125 N 0.24 1.04 0.00 2.23 3.04 -1.93 0.29 116.25 121.16 2roq h VAL 125 Ca 0.56 -0.29 -0.13 0.00 -1.01 0.00 0.00 66.70 65.83 2roq h VAL 125 Cb 1.71 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.08 2roq h VAL 125 CO -0.18 0.16 -0.80 -0.07 -1.01 0.00 0.00 177.57 175.66 2roq h LEU 126 N 0.86 0.00 0.00 3.16 4.07 -0.66 -2.16 115.31 120.58 2roq h LEU 126 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 2roq h LEU 126 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2roq h LEU 126 CO -0.12 0.53 -0.28 -1.54 -1.08 0.00 0.00 178.44 175.96 2roq n SER 127 N -3.12 0.65 -0.02 -0.43 3.41 -0.50 0.11 113.62 113.72 2roq n SER 127 Ca -0.02 0.33 0.06 0.00 -0.26 0.00 0.00 58.87 58.98 2roq n SER 127 Cb 0.77 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 2roq n SER 127 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2roq n ARG 128 N -2.05 0.67 -0.02 4.33 0.63 0.91 -4.15 116.66 116.98 2roq n ARG 128 Ca 0.05 -0.13 -0.03 0.00 -0.92 0.00 0.00 57.85 56.82 2roq n ARG 128 Cb 0.42 -1.40 -0.01 0.00 0.45 0.00 0.00 32.46 31.92 2roq n ARG 128 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2roq n TYR 129 N -2.16 0.00 1.86 -0.14 4.01 -0.81 -4.65 117.16 115.26 2roq n TYR 129 Ca -0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.78 2roq n TYR 129 Cb 0.53 -0.11 0.57 0.00 -0.31 0.00 0.00 39.34 40.02 2roq n TYR 129 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2roq n LEU 130 N -3.07 0.31 -3.18 7.72 7.99 0.12 -3.93 117.00 122.97 2roq n LEU 130 Ca -0.06 -0.13 -0.19 0.00 -0.01 0.00 0.00 56.01 55.63 2roq n LEU 130 Cb 0.54 -0.02 -0.03 0.00 -0.11 0.00 0.00 43.42 43.80 2roq n LEU 130 CO 0.01 0.06 -0.22 -0.67 -1.51 0.00 0.00 177.39 175.06 2roq n ASP 131 N -0.61 0.94 0.19 -1.43 -0.08 0.18 -4.86 116.55 110.87 2roq n ASP 131 Ca 0.16 -3.02 0.04 0.00 -1.51 0.00 0.00 54.79 50.46 2roq n ASP 131 Cb 0.12 -0.62 0.36 0.00 2.34 0.00 0.00 41.12 43.33 2roq n ASP 131 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2roq h PRO 132 N 3.06 0.00 0.00 -0.67 0.13 -1.82 -3.41 132.00 129.28 2roq h PRO 132 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2roq h PRO 132 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2roq h PRO 132 CO 0.51 0.38 0.00 0.94 -0.23 0.00 0.00 178.00 179.60 2roq n GLN 133 N -3.77 0.00 -1.04 0.86 7.27 -1.26 -5.12 117.38 114.32 2roq n GLN 133 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2roq n GLN 133 Cb 0.46 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.11 2roq n GLN 133 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2roq n TRP 134 N 0.00 -0.20 -4.72 3.69 5.03 -1.26 -4.60 117.44 115.38 2roq n TRP 134 Ca 0.00 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.20 2roq n TRP 134 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 31.31 30.15 2roq n TRP 134 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2roq s SER 135 N -0.22 4.28 -0.06 -0.99 0.01 -1.08 -4.62 113.70 111.02 2roq s SER 135 Ca 0.00 -0.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.99 2roq s SER 135 Cb 0.00 -1.35 0.02 0.00 0.21 0.00 0.00 66.02 64.90 2roq s SER 135 CO 0.00 0.26 0.20 -0.63 0.41 0.00 0.00 173.24 173.47 2roq s ILE 136 N -0.18 0.02 -0.15 1.44 1.01 0.13 -1.01 121.20 122.47 2roq s ILE 136 Ca 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2roq s ILE 136 Cb -0.13 -0.33 0.06 0.00 0.01 0.00 0.00 42.46 42.07 2roq s ILE 136 CO 0.03 -0.08 0.15 -0.63 0.00 0.00 0.00 174.94 174.41 2roq s ILE 137 N -0.22 -0.21 -0.23 2.92 1.01 -1.08 -1.99 121.20 121.40 2roq s ILE 137 Ca -0.03 0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 2roq s ILE 137 Cb -0.03 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2roq s ILE 137 CO 0.01 -0.10 0.12 -0.83 0.00 0.00 0.00 174.94 174.14 2roq s GLY 138 N 2.24 1.92 0.07 6.18 0.00 -1.26 -1.20 107.32 115.27 2roq s GLY 138 Ca 0.04 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 2roq s GLY 138 CO -0.09 0.36 1.09 -1.50 0.00 0.00 0.00 173.10 172.97 2roq s ILE 139 N 1.06 4.29 0.32 0.90 1.10 -1.19 -4.37 121.20 123.31 2roq s ILE 139 Ca 0.06 1.73 -0.11 0.00 -0.51 0.00 0.00 60.65 61.82 2roq s ILE 139 Cb -0.14 -4.11 0.02 0.00 0.15 0.00 0.00 42.46 38.38 2roq s ILE 139 CO 0.04 0.18 0.59 0.00 -2.11 0.00 0.00 174.94 173.64 2roq s GLN 140 N 0.65 1.89 -0.30 3.50 -2.07 -1.26 -3.83 119.66 118.24 2roq s GLN 140 Ca 0.54 -1.44 -0.00 0.00 -1.82 0.00 0.00 55.36 52.64 2roq s GLN 140 Cb -0.26 0.52 0.19 0.00 -1.09 0.00 0.00 33.01 32.37 2roq s GLN 140 CO 0.30 -0.83 0.64 0.45 -1.32 0.00 0.00 175.29 174.54 2roq s SER 141 N -3.09 -1.36 -0.91 12.60 0.15 -1.24 -4.61 113.70 115.24 2roq s SER 141 Ca 0.22 0.63 -0.24 0.00 0.70 0.00 0.00 55.95 57.26 2roq s SER 141 Cb -0.02 2.05 -0.05 0.00 -1.71 0.00 0.00 66.02 66.29 2roq s SER 141 CO 0.13 -0.25 1.95 -2.16 1.20 0.00 0.00 173.24 174.11 2roq s PRO 142 N 2.86 2.55 0.03 5.44 0.04 -1.05 -3.59 135.00 141.28 2roq s PRO 142 Ca 0.17 -0.31 -0.12 0.00 0.04 0.00 0.00 61.00 60.77 2roq s PRO 142 Cb -0.13 -5.07 0.01 0.00 0.04 0.00 0.00 34.50 29.36 2roq s PRO 142 CO -0.22 -3.40 0.26 1.03 0.04 0.00 0.00 177.00 174.72 2roq s ARG 143 N 7.00 0.73 -0.02 4.56 0.52 -1.26 -5.08 118.95 125.40 2roq s ARG 143 Ca 0.70 -0.48 -0.26 0.00 -0.52 0.00 0.00 55.73 55.17 2roq s ARG 143 Cb -0.07 0.31 -0.20 0.00 0.52 0.00 0.00 34.95 35.52 2roq s ARG 143 CO -0.00 -0.22 1.24 -1.00 0.02 0.00 0.00 175.30 175.34 2roq h PRO 144 N 3.45 -0.03 0.00 3.54 0.13 -1.94 -3.45 132.00 133.70 2roq h PRO 144 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2roq h PRO 144 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2roq h PRO 144 CO 0.45 0.45 0.00 0.27 -0.23 0.00 0.00 178.00 178.94 2roq n ASN 145 N -4.87 0.00 -4.33 1.44 6.94 -1.26 -4.56 115.26 108.61 2roq n ASN 145 Ca -0.08 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.15 2roq n ASN 145 Cb 0.25 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 37.81 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 0.00 -2.35 0.18 4.83 0.00 -1.26 -4.83 105.19 101.76 2roq n GLY 146 Ca 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.74 0.00 -0.01 1.61 0.13 -2.02 -2.27 132.00 127.70 2roq h PRO 147 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2roq h PRO 147 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2roq h PRO 147 CO 0.35 0.00 -0.45 -1.33 -0.23 0.00 0.00 178.00 176.34 2roq n MET 148 N -2.53 0.66 0.00 0.86 2.81 -1.26 -3.86 117.12 113.80 2roq n MET 148 Ca 0.01 -0.46 0.11 0.00 -1.81 0.00 0.00 57.70 55.56 2roq n MET 148 Cb 0.25 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.35 2roq n MET 148 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roq n GLN 149 N -0.77 0.02 0.38 0.03 3.00 -0.86 -0.10 117.38 119.09 2roq n GLN 149 Ca 0.09 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 2roq n GLN 149 Cb 0.37 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 29.04 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 5.09 1.35 -1.66 -3.37 112.91 114.32 2roq h THR 150 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2roq h THR 150 Cb 0.51 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 2roq h THR 150 CO 0.00 0.00 -0.62 0.00 -0.25 0.00 0.00 175.52 174.65 2roq n ALA 151 N -2.62 1.47 1.44 6.62 0.00 -1.26 -4.70 120.51 121.46 2roq n ALA 151 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2roq n ALA 151 Cb 0.39 0.10 0.16 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.24 2.49 0.26 0.00 0.00 -1.15 -4.18 120.51 116.69 2roq n ALA 152 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 2roq n ALA 152 Cb 0.19 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 1.12 -0.71 0.50 0.00 7.08 -0.66 0.33 115.58 123.23 2roq h ASN 153 Ca 0.00 0.04 -0.03 0.00 -3.08 0.00 0.00 56.30 53.24 2roq h ASN 153 Cb 0.25 0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 36.70 2roq h ASN 153 CO 0.00 -0.44 -0.14 -0.07 -2.08 0.00 0.00 177.43 174.70 2roq h LEU 154 N -0.69 0.00 0.20 6.14 3.38 -1.87 -2.13 115.31 120.34 2roq h LEU 154 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2roq h LEU 154 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2roq h LEU 154 CO 0.04 0.14 -0.10 0.44 0.09 0.00 0.00 178.44 179.05 2roq h ASP 155 N 0.00 -0.23 -0.52 -0.43 3.32 -1.63 -2.09 116.42 114.84 2roq h ASP 155 Ca -0.00 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2roq h ASP 155 Cb 0.42 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.95 2roq h ASP 155 CO 0.02 0.16 0.05 -0.08 -1.72 0.00 0.00 179.24 177.67 2roq h GLU 156 N -0.91 0.17 -0.08 3.56 4.81 -0.36 0.99 114.58 122.74 2roq h GLU 156 Ca -0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2roq h GLU 156 Cb 0.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2roq h GLU 156 CO 0.04 0.11 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.89 2roq h VAL 157 N 0.17 1.16 0.23 0.32 -1.51 -1.52 -1.31 116.25 113.80 2roq h VAL 157 Ca 0.26 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 2roq h VAL 157 Cb 0.39 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2roq h VAL 157 CO -0.39 0.22 -0.11 0.00 -1.23 0.00 0.00 177.57 176.06 2roq h GLU 159 N -0.83 0.45 -0.13 0.00 4.11 -0.88 -1.38 114.58 115.92 2roq h GLU 159 Ca -0.03 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.40 2roq h GLU 159 Cb 0.51 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2roq h GLU 159 CO 0.05 0.30 -0.05 0.00 0.07 0.00 0.00 179.01 179.38 2roq h ALA 160 N 1.21 0.07 0.69 1.06 0.00 -1.31 -2.11 119.26 118.87 2roq h ALA 160 Ca 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 160 Cb 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2roq h ALA 160 CO -0.10 -0.50 -0.47 0.45 0.00 0.00 0.00 179.25 178.63 2roq h HIS 161 N -0.02 -1.28 -0.85 0.00 3.86 -1.09 -2.10 115.15 113.67 2roq h HIS 161 Ca 0.07 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.40 2roq h HIS 161 Cb 0.13 0.47 -0.14 0.00 1.06 0.00 0.00 27.41 28.93 2roq h HIS 161 CO -0.18 -0.69 -0.40 -0.07 0.86 0.00 0.00 177.93 177.45 2roq h LEU 162 N -1.11 -1.44 -0.39 2.43 -0.00 -1.18 0.42 115.31 114.04 2roq h LEU 162 Ca -0.09 0.28 0.08 0.00 -0.00 0.00 0.00 57.88 58.15 2roq h LEU 162 Cb 0.90 0.72 -0.08 0.00 -0.00 0.00 0.00 40.66 42.20 2roq h LEU 162 CO 0.06 -0.29 -0.14 0.00 -0.00 0.00 0.00 178.44 178.06 2roq h ALA 163 N 1.11 0.18 -0.74 1.53 0.00 -1.24 0.22 119.26 120.34 2roq h ALA 163 Ca 0.28 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2roq h ALA 163 Cb 0.57 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2roq h ALA 163 CO -0.87 -0.50 0.38 1.15 0.00 0.00 0.00 179.25 179.40 2roq h THR 164 N -0.06 1.23 0.80 0.00 2.02 -0.02 0.65 112.91 117.53 2roq h THR 164 Ca 0.19 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 2roq h THR 164 Cb 0.36 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2roq h THR 164 CO -0.44 0.27 -0.38 -0.07 0.37 0.00 0.00 175.52 175.27 2roq h LEU 165 N 1.03 -0.90 -1.13 2.58 4.07 0.81 -1.85 115.31 119.92 2roq h LEU 165 Ca 0.26 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2roq h LEU 165 Cb 0.08 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2roq h LEU 165 CO -0.04 -0.58 0.00 0.18 -1.08 0.00 0.00 178.44 176.92 2roq n LEU 166 N -5.51 0.61 0.11 1.67 7.99 0.68 0.05 117.00 122.60 2roq n LEU 166 Ca -0.14 0.72 -0.19 0.00 -0.01 0.00 0.00 56.01 56.39 2roq n LEU 166 Cb 0.43 -0.73 -0.13 0.00 -0.11 0.00 0.00 43.42 42.88 2roq n LEU 166 CO 0.36 -0.79 -0.08 -0.08 -1.51 0.00 0.00 177.39 175.29 2roq h GLU 167 N 0.00 0.42 0.03 3.23 4.22 -0.42 -3.08 114.58 118.98 2roq h GLU 167 Ca 0.00 -0.65 -0.34 0.00 0.08 0.00 0.00 59.36 58.45 2roq h GLU 167 Cb 0.15 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2roq h GLU 167 CO 0.00 1.30 -1.89 1.04 -2.18 0.00 0.00 179.01 177.27 2roq n GLN 168 N -3.65 0.64 -3.57 1.92 1.13 -0.73 -4.76 117.38 108.35 2roq n GLN 168 Ca -0.11 0.37 -0.27 0.00 -1.94 0.00 0.00 57.00 55.04 2roq n GLN 168 Cb 1.02 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 29.61 2roq n GLN 168 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2roq s GLN 169 N -2.47 1.45 0.00 -1.09 -0.21 0.11 -4.94 119.66 112.52 2roq s GLN 169 Ca -0.30 -2.55 0.14 0.00 0.02 0.00 0.00 55.36 52.68 2roq s GLN 169 Cb 0.08 -2.12 0.64 0.00 1.00 0.00 0.00 33.01 32.61 2roq s GLN 169 CO 0.62 -1.35 1.44 -0.35 -2.12 0.00 0.00 175.29 173.53 2roq n PRO 170 N 2.54 0.05 -3.66 2.91 -0.04 -1.16 -4.33 135.00 131.30 2roq n PRO 170 Ca 0.26 0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.90 2roq n PRO 170 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2roq n PRO 170 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2roq s HIS 171 N -2.91 -1.05 0.00 0.54 2.46 -1.26 -4.93 115.29 108.15 2roq s HIS 171 Ca 0.08 1.95 0.00 0.00 0.47 0.00 0.00 55.06 57.56 2roq s HIS 171 Cb 0.09 0.57 0.00 0.00 -0.13 0.00 0.00 32.58 33.12 2roq s HIS 171 CO 0.25 -0.55 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 2roq n GLY 172 N 5.05 2.06 3.61 1.59 0.00 -1.26 -5.06 105.19 111.18 2roq n GLY 172 Ca -0.14 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.48 3.57 0.04 1.61 0.04 -1.26 -4.42 135.00 133.11 2roq s PRO 173 Ca 0.00 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2roq s PRO 173 Cb 0.00 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2roq s PRO 173 CO 0.00 -1.56 0.12 0.71 0.04 0.00 0.00 177.00 176.31 2roq s TYR 174 N 5.92 3.34 0.02 0.56 2.02 -1.24 -4.63 117.35 123.34 2roq s TYR 174 Ca 0.73 0.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.67 2roq s TYR 174 Cb -0.22 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 2roq s TYR 174 CO 0.32 0.56 -0.15 0.71 -1.57 0.00 0.00 175.55 175.42 2roq s TYR 175 N -1.35 1.34 0.12 2.71 1.51 -1.26 -0.33 117.35 120.08 2roq s TYR 175 Ca 0.29 -0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 2roq s TYR 175 Cb -0.12 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 2roq s TYR 175 CO 0.21 0.02 0.36 -0.51 -1.11 0.00 0.00 175.55 174.52 2roq s LEU 176 N -0.80 0.60 0.03 -1.29 1.02 -0.91 -1.83 118.68 115.50 2roq s LEU 176 Ca 0.04 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.82 2roq s LEU 176 Cb -0.07 1.68 -0.02 0.00 0.02 0.00 0.00 46.19 47.80 2roq s LEU 176 CO 0.01 -0.83 -0.05 -0.22 0.02 0.00 0.00 176.35 175.28 2roq s LEU 177 N -2.80 2.29 0.19 1.79 2.96 -1.21 -0.81 118.68 121.08 2roq s LEU 177 Ca 0.03 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.38 2roq s LEU 177 Cb 0.02 0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.68 2roq s LEU 177 CO -0.12 -0.31 -0.05 -0.83 -1.32 0.00 0.00 176.35 173.72 2roq s GLY 178 N -1.75 1.31 -0.09 7.98 0.00 -0.60 -1.56 107.32 112.61 2roq s GLY 178 Ca -0.10 -1.63 -0.05 0.00 0.00 0.00 0.00 44.72 42.94 2roq s GLY 178 CO -0.02 -1.63 0.21 -0.47 0.00 0.00 0.00 173.10 171.20 2roq s TYR 179 N -3.38 -0.27 0.00 1.90 5.04 -1.26 -3.03 117.35 116.35 2roq s TYR 179 Ca 0.23 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 2roq s TYR 179 Cb 0.04 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.37 2roq s TYR 179 CO 0.05 -0.20 0.00 0.45 -1.34 0.00 0.00 175.55 174.51 2roq n SER 180 N 4.04 0.00 0.14 4.32 2.88 -1.24 -1.89 113.62 121.86 2roq n SER 180 Ca -0.24 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.43 2roq n SER 180 Cb 0.53 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.33 2roq n SER 180 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2roq h LEU 181 N 0.00 0.00 -1.85 2.46 7.12 -1.84 -3.28 115.31 117.92 2roq h LEU 181 Ca 0.00 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.08 2roq h LEU 181 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 2roq h LEU 181 CO 0.00 0.00 0.46 1.23 -0.13 0.00 0.00 178.44 180.00 2roq h GLY 182 N 4.38 0.00 0.00 3.75 0.00 -1.59 -2.11 103.07 107.50 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 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2roq n GLY 183 N -1.39 -2.91 0.15 4.60 0.00 -1.24 0.70 105.19 105.11 2roq n GLY 183 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2roq n GLY 183 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2roq h THR 184 N 0.00 1.38 0.02 2.61 2.02 -1.84 -2.15 112.91 114.95 2roq h THR 184 Ca 0.00 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.37 2roq h THR 184 Cb 0.00 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2roq h THR 184 CO 0.00 0.52 -0.01 0.25 0.37 0.00 0.00 175.52 176.65 2roq h LEU 185 N 0.00 -0.02 -1.55 2.58 5.85 -1.32 -1.80 115.31 119.05 2roq h LEU 185 Ca -0.01 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 2roq h LEU 185 Cb 0.93 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 2roq h LEU 185 CO 0.07 -0.01 0.58 0.00 -0.34 0.00 0.00 178.44 178.74 2roq h ALA 186 N -1.98 2.21 0.79 1.25 0.00 0.16 -2.00 119.26 119.70 2roq h ALA 186 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 186 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2roq h ALA 186 CO 0.00 -0.48 -0.38 0.37 0.00 0.00 0.00 179.25 178.76 2roq h GLN 187 N 0.39 -1.03 -0.24 0.00 4.15 -1.42 0.28 115.11 117.24 2roq h GLN 187 Ca 0.44 0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.99 2roq h GLN 187 Cb 1.12 0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.98 2roq h GLN 187 CO -0.16 -0.67 -0.14 0.78 -1.93 0.00 0.00 178.83 176.71 2roq h GLY 188 N -1.16 0.05 1.43 2.39 0.00 -0.68 -1.57 103.07 103.53 2roq h GLY 188 Ca -0.11 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 2roq h GLY 188 CO 0.18 -0.15 0.10 1.19 0.00 0.00 0.00 176.54 177.86 2roq h ILE 189 N -0.12 1.21 0.40 2.60 2.10 -1.39 -1.97 117.51 120.33 2roq h ILE 189 Ca 0.13 -0.77 -0.01 0.00 1.08 0.00 0.00 64.86 65.30 2roq h ILE 189 Cb 0.32 0.74 -0.02 0.00 -1.09 0.00 0.00 36.82 36.77 2roq h ILE 189 CO -0.32 0.28 -0.39 0.00 -1.08 0.00 0.00 178.15 176.64 2roq h ALA 190 N 1.42 -0.86 0.00 0.18 0.00 0.52 -1.32 119.26 119.19 2roq h ALA 190 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 190 Cb 0.28 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2roq h ALA 190 CO -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.23 2roq h ALA 191 N -0.42 1.00 0.00 0.00 0.00 -1.31 -1.87 119.26 116.66 2roq h ALA 191 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 191 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2roq h ALA 191 CO -0.06 0.00 -0.00 -0.09 0.00 0.00 0.00 179.25 179.10 2roq h ARG 192 N 0.00 -0.00 0.00 0.00 1.12 -0.47 -2.14 114.38 112.89 2roq h ARG 192 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2roq h ARG 192 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2roq h ARG 192 CO 0.00 -0.00 0.00 1.47 -3.11 0.00 0.00 179.97 178.33 2roq n LEU 193 N -2.00 0.05 0.12 3.80 -0.00 -0.81 -0.28 117.00 117.88 2roq n LEU 193 Ca -0.00 0.51 -0.22 0.00 -0.00 0.00 0.00 56.01 56.30 2roq n LEU 193 Cb 0.00 -0.51 -0.15 0.00 -0.00 0.00 0.00 43.42 42.76 2roq n LEU 193 CO 0.00 -0.31 -0.26 -0.09 -0.00 0.00 0.00 177.39 176.73 2roq h ARG 194 N 0.00 0.44 0.00 1.47 1.12 -1.38 -2.94 114.38 113.09 2roq h ARG 194 Ca 0.00 -0.75 0.00 0.00 -1.11 0.00 0.00 59.98 58.12 2roq h ARG 194 Cb 0.23 0.28 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2roq h ARG 194 CO 0.00 1.35 -1.45 0.00 -3.11 0.00 0.00 179.97 176.76 2roq n ALA 195 N -2.70 3.62 0.27 2.80 0.00 -0.81 -3.89 120.51 119.79 2roq n ALA 195 Ca -0.17 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 52.86 2roq n ALA 195 Cb 1.08 -0.80 0.54 0.00 0.00 0.00 0.00 19.45 20.27 2roq n ALA 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2roq n ARG 196 N -1.94 0.16 0.00 0.00 1.74 0.62 -4.74 116.66 112.50 2roq n ARG 196 Ca 0.00 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 2roq n ARG 196 Cb 0.46 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2roq n GLY 197 N -0.71 1.72 3.22 -0.13 0.00 -1.26 -5.06 105.19 102.97 2roq n GLY 197 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.98 -0.20 1.61 0.41 -1.11 -5.05 118.70 115.34 2roq s GLU 198 Ca 0.00 -1.38 -0.07 0.00 -0.41 0.00 0.00 54.97 53.11 2roq s GLU 198 Cb 0.00 -0.54 -0.04 0.00 -1.78 0.00 0.00 34.13 31.77 2roq s GLU 198 CO 0.00 0.06 0.06 1.14 -0.49 0.00 0.00 175.26 176.03 2roq s GLN 199 N -3.57 3.88 -0.17 1.61 -2.07 -1.26 -4.35 119.66 113.73 2roq s GLN 199 Ca 0.14 -0.39 -0.06 0.00 -1.82 0.00 0.00 55.36 53.23 2roq s GLN 199 Cb 0.02 -3.23 -0.04 0.00 -1.09 0.00 0.00 33.01 28.67 2roq s GLN 199 CO -0.00 0.15 0.04 0.14 -1.32 0.00 0.00 175.29 174.30 2roq s VAL 200 N 0.69 4.61 -0.05 3.63 -7.23 -1.26 -3.60 120.40 117.19 2roq s VAL 200 Ca 0.03 -0.10 -0.17 0.00 -1.81 0.00 0.00 61.98 59.92 2roq s VAL 200 Cb -0.13 -3.05 -0.12 0.00 0.56 0.00 0.00 36.38 33.63 2roq s VAL 200 CO 0.02 0.49 0.71 0.00 -0.31 0.00 0.00 175.10 176.00 2roq h ALA 201 N 6.49 -0.30 -1.83 1.32 0.00 -0.94 -3.44 119.26 120.56 2roq h ALA 201 Ca -0.38 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2roq h ALA 201 Cb 1.18 0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 2roq h ALA 201 CO 0.67 -0.33 0.19 0.12 0.00 0.00 0.00 179.25 179.90 2roq s PHE 202 N -3.18 -0.82 -0.50 0.00 2.19 -0.80 -4.63 117.98 110.24 2roq s PHE 202 Ca -0.10 1.72 0.04 0.00 0.33 0.00 0.00 56.93 58.92 2roq s PHE 202 Cb 0.00 0.46 0.13 0.00 -1.31 0.00 0.00 43.02 42.30 2roq s PHE 202 CO 0.36 -0.40 0.24 -0.51 1.83 0.00 0.00 175.22 176.74 2roq s LEU 203 N 1.15 4.21 0.29 6.12 1.43 -1.01 -2.13 118.68 128.74 2roq s LEU 203 Ca -0.06 -2.92 -0.29 0.00 -1.03 0.00 0.00 54.13 49.83 2roq s LEU 203 Cb -0.05 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.49 2roq s LEU 203 CO -0.13 -0.25 1.17 -0.83 0.23 0.00 0.00 176.35 176.54 2roq s GLY 204 N -0.15 3.03 -0.01 -3.19 0.00 0.01 -3.37 107.32 103.64 2roq s GLY 204 Ca 0.17 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.90 2roq s GLY 204 CO -0.01 1.64 0.01 1.08 0.00 0.00 0.00 173.10 175.82 2roq s LEU 205 N -1.50 1.47 -0.17 0.66 1.02 -1.22 -1.55 118.68 117.39 2roq s LEU 205 Ca 0.46 0.00 -0.08 0.00 0.02 0.00 0.00 54.13 54.54 2roq s LEU 205 Cb -0.34 -0.10 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 2roq s LEU 205 CO 0.44 -0.07 0.09 -0.76 0.02 0.00 0.00 176.35 176.08 2roq s LEU 206 N 0.62 4.00 -1.31 1.79 1.02 -1.17 -3.05 118.68 120.58 2roq s LEU 206 Ca -0.05 0.20 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 2roq s LEU 206 Cb -0.08 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.13 2roq s LEU 206 CO -0.02 0.24 0.75 0.47 0.02 0.00 0.00 176.35 177.81 2roq n ASP 207 N 3.12 -1.45 -4.91 2.29 8.00 -0.68 -3.70 116.55 119.23 2roq n ASP 207 Ca -0.17 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 54.33 2roq n ASP 207 Cb 0.53 -4.17 0.06 0.00 -0.02 0.00 0.00 41.12 37.51 2roq n ASP 207 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2roq s THR 208 N -3.62 2.40 0.16 -3.53 -1.32 -1.26 -4.51 115.64 103.97 2roq s THR 208 Ca 0.04 -0.81 -0.21 0.00 -1.21 0.00 0.00 61.69 59.49 2roq s THR 208 Cb -0.02 -2.59 0.06 0.00 -1.51 0.00 0.00 72.50 68.44 2roq s THR 208 CO 0.80 0.00 0.57 -1.66 -2.21 0.00 0.00 174.62 172.12 2roq s TRP 209 N -2.77 -0.42 0.98 9.09 1.48 -1.26 -4.94 118.94 121.10 2roq s TRP 209 Ca 0.61 0.16 -0.12 0.00 -1.06 0.00 0.00 56.10 55.69 2roq s TRP 209 Cb -0.07 0.50 0.18 0.00 -1.16 0.00 0.00 33.47 32.92 2roq s TRP 209 CO 0.39 -0.86 1.09 -1.25 -4.06 0.00 0.00 176.95 172.27 2roq s PRO 210 N -3.78 0.55 -0.45 3.25 0.04 -1.26 -4.83 135.00 128.52 2roq s PRO 210 Ca 0.03 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 2roq s PRO 210 Cb -0.01 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2roq s PRO 210 CO -0.11 -2.66 1.76 -1.25 0.04 0.00 0.00 177.00 174.79 2roq s PRO 211 N -4.96 3.09 0.00 0.56 0.04 -1.26 -4.86 135.00 127.61 2roq s PRO 211 Ca 0.65 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2roq s PRO 211 Cb -0.18 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2roq s PRO 211 CO 0.57 -2.16 0.00 -1.91 0.04 0.00 0.00 177.00 173.55 2roq n GLU 212 N 8.68 0.00 0.03 4.56 2.13 -1.26 -5.04 120.64 129.73 2roq n GLU 212 Ca 0.21 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.90 2roq n GLU 212 Cb 0.49 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.13 2roq n GLU 212 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2roq h THR 213 N 0.87 0.13 0.00 6.31 1.35 -2.00 -3.48 112.91 116.10 2roq h THR 213 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2roq h THR 213 Cb 0.00 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.55 2roq h THR 213 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2roq n GLN 214 N -5.44 -2.28 0.00 4.72 6.02 -1.26 -4.47 117.38 114.67 2roq n GLN 214 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2roq n GLN 214 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 2roq n GLN 214 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2roq n ASN 215 N 0.03 0.00 -0.04 1.08 2.85 -1.26 -4.59 115.26 113.33 2roq n ASN 215 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2roq n ASN 215 Cb 0.00 -0.33 -0.15 0.00 1.24 0.00 0.00 39.78 40.54 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 2roq n TRP 216 N -2.21 0.20 -0.12 1.20 4.27 -1.26 -4.35 117.44 115.16 2roq n TRP 216 Ca 0.00 0.07 -0.12 0.00 -3.89 0.00 0.00 57.50 53.55 2roq n TRP 216 Cb 0.00 -0.83 -0.02 0.00 -1.36 0.00 0.00 31.31 29.09 2roq n TRP 216 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2roq h GLN 217 N 0.00 0.82 -5.93 -2.67 4.20 -1.97 -3.48 115.11 106.08 2roq h GLN 217 Ca -0.27 -0.38 -0.39 0.00 0.06 0.00 0.00 58.65 57.67 2roq h GLN 217 Cb 1.65 -0.01 0.09 0.00 0.30 0.00 0.00 27.48 29.51 2roq h GLN 217 CO 0.02 1.01 -0.81 0.39 -0.67 0.00 0.00 178.83 178.78 2roq n GLU 218 N -4.22 -5.56 -2.88 1.46 1.02 -1.26 -2.91 120.64 106.29 2roq n GLU 218 Ca -0.02 0.70 -0.11 0.00 -0.02 0.00 0.00 57.16 57.71 2roq n GLU 218 Cb 0.45 -5.43 0.06 0.00 -0.02 0.00 0.00 31.44 26.49 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 -4.24 -3.44 -0.16 3.49 4.81 -1.26 -4.95 118.16 112.42 2roq n LYS 219 Ca -0.29 0.59 0.06 0.00 -0.87 0.00 0.00 58.31 57.80 2roq n LYS 219 Cb 0.67 -4.69 0.14 0.00 0.02 0.00 0.00 35.03 31.18 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 -2.98 2.51 0.14 1.64 4.71 -1.15 -4.57 120.64 120.95 2roq n GLU 220 Ca -0.14 -1.94 0.19 0.00 -0.01 0.00 0.00 57.16 55.26 2roq n GLU 220 Cb 0.60 -1.27 0.78 0.00 -1.01 0.00 0.00 31.44 30.54 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2roq h ALA 221 N 2.15 1.98 0.00 0.62 0.00 -1.91 0.40 119.26 122.49 2roq h ALA 221 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2roq h ALA 221 Cb 0.70 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2roq h ALA 221 CO 0.00 -0.49 -1.13 -2.95 0.00 0.00 0.00 179.25 174.68 2roq h ASN 222 N 0.00 0.00 -1.66 0.00 -1.07 -1.96 -3.39 115.58 107.49 2roq h ASN 222 Ca 0.14 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 56.06 2roq h ASN 222 Cb 0.81 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.66 2roq h ASN 222 CO -0.00 0.34 -1.13 0.61 0.07 0.00 0.00 177.43 177.31 2roq n GLY 223 N 1.29 3.19 3.62 9.14 0.00 0.94 -5.08 105.19 118.29 2roq n GLY 223 Ca -0.05 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.80 3.79 0.57 0.99 1.43 0.10 -4.90 118.68 117.86 2roq s LEU 224 Ca 0.37 1.86 -0.19 0.00 -1.03 0.00 0.00 54.13 55.14 2roq s LEU 224 Cb 0.38 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 2roq s LEU 224 CO -0.05 -1.52 0.97 -0.67 0.23 0.00 0.00 176.35 175.31 2roq n ASP 225 N 9.62 0.87 0.00 2.29 2.03 -1.26 -4.84 116.55 125.26 2roq n ASP 225 Ca 0.23 0.85 0.08 0.00 0.52 0.00 0.00 54.79 56.47 2roq n ASP 225 Cb 0.45 -1.38 0.43 0.00 -0.72 0.00 0.00 41.12 39.89 2roq n ASP 225 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2roq n PRO 226 N -0.78 0.39 -0.02 -0.67 -0.04 -1.26 -3.00 135.00 129.63 2roq n PRO 226 Ca 0.13 0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 2roq n PRO 226 Cb 0.46 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.20 -0.06 0.54 5.08 -1.99 -1.71 114.58 116.64 2roq h GLU 227 Ca 0.00 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 57.92 2roq h GLU 227 Cb 0.05 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2roq h GLU 227 CO 0.00 1.01 -0.77 -0.24 -1.00 0.00 0.00 179.01 178.01 2roq h VAL 228 N -0.49 1.38 -0.23 3.13 3.04 -1.91 -2.94 116.25 118.24 2roq h VAL 228 Ca -0.05 -2.20 -0.15 0.00 -1.01 0.00 0.00 66.70 63.29 2roq h VAL 228 Cb 1.15 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 2roq h VAL 228 CO 0.07 0.66 -0.43 -0.07 -1.01 0.00 0.00 177.57 176.79 2roq h LEU 229 N 0.27 0.77 -1.40 3.16 3.38 -1.66 -2.12 115.31 117.71 2roq h LEU 229 Ca -0.04 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2roq h LEU 229 Cb 1.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2roq h LEU 229 CO 0.13 1.16 0.30 0.00 0.09 0.00 0.00 178.44 180.12 2roq h ALA 230 N 0.63 1.55 -0.08 1.53 0.00 -1.34 -1.31 119.26 120.22 2roq h ALA 230 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 230 Cb 1.03 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2roq h ALA 230 CO 0.10 0.39 -0.46 0.93 0.00 0.00 0.00 179.25 180.20 2roq h GLU 231 N 0.72 0.46 -0.84 0.00 3.07 -1.46 -0.82 114.58 115.71 2roq h GLU 231 Ca 0.19 -0.39 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2roq h GLU 231 Cb -0.00 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 2roq h GLU 231 CO -0.03 1.02 0.56 0.82 -1.40 0.00 0.00 179.01 179.97 2roq h ILE 232 N 0.03 1.20 -0.01 3.13 2.04 -1.06 0.23 117.51 123.07 2roq h ILE 232 Ca -0.03 -0.39 -0.21 0.00 1.00 0.00 0.00 64.86 65.23 2roq h ILE 232 Cb 1.12 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2roq h ILE 232 CO 0.10 0.21 -0.88 -1.13 0.00 0.00 0.00 178.15 176.44 2roq h ASN 233 N 1.13 0.43 -0.38 1.72 -0.00 -1.29 -2.12 115.58 115.07 2roq h ASN 233 Ca 0.31 -0.34 -0.13 0.00 -0.00 0.00 0.00 56.30 56.14 2roq h ASN 233 Cb -0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.07 2roq h ASN 233 CO -0.08 1.13 -0.28 0.03 -0.00 0.00 0.00 177.43 178.23 2roq h ARG 234 N 0.20 0.86 -0.15 6.67 3.08 -0.68 0.31 114.38 124.66 2roq h ARG 234 Ca -0.06 -0.42 -0.16 0.00 0.07 0.00 0.00 59.98 59.41 2roq h ARG 234 Cb 1.50 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 2roq h ARG 234 CO 0.15 1.06 -0.59 0.93 -1.07 0.00 0.00 179.97 180.45 2roq h GLU 235 N 0.66 0.50 0.03 0.04 3.07 -0.61 -1.98 114.58 116.29 2roq h GLU 235 Ca 0.07 -0.34 -0.17 0.00 -0.50 0.00 0.00 59.36 58.43 2roq h GLU 235 Cb 0.86 0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2roq h GLU 235 CO 0.07 0.95 -0.68 0.00 -1.40 0.00 0.00 179.01 177.95 2roq h ARG 236 N 0.38 0.41 0.00 2.33 -0.00 -1.32 -1.94 114.38 114.24 2roq h ARG 236 Ca -0.00 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.98 58.99 2roq h ARG 236 Cb 1.14 0.14 -0.00 0.00 0.00 0.00 0.00 29.97 31.25 2roq h ARG 236 CO 0.11 1.15 -0.03 1.05 0.00 0.00 0.00 179.97 182.24 2roq h GLU 237 N -0.12 0.00 0.00 0.04 4.11 -0.42 0.37 114.58 118.57 2roq h GLU 237 Ca -0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 2roq h GLU 237 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2roq h GLU 237 CO 0.13 0.03 -1.38 0.00 0.07 0.00 0.00 179.01 177.86 2roq n ALA 238 N -2.12 2.30 -0.04 1.06 0.00 -0.75 -3.75 120.51 117.21 2roq n ALA 238 Ca -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 2roq n ALA 238 Cb 0.25 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.69 0.07 -0.19 0.00 7.35 -0.73 -3.66 117.46 117.61 2roq n PHE 239 Ca -0.06 0.03 -0.01 0.00 -0.76 0.00 0.00 57.45 56.65 2roq n PHE 239 Cb 0.69 -0.27 0.06 0.00 0.35 0.00 0.00 39.48 40.31 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2roq h LEU 240 N -0.45 -0.46 0.91 -2.13 7.12 -0.52 -2.59 115.31 117.19 2roq h LEU 240 Ca 0.00 0.16 -0.04 0.00 0.13 0.00 0.00 57.88 58.13 2roq h LEU 240 Cb 0.41 0.33 0.01 0.00 -0.53 0.00 0.00 40.66 40.88 2roq h LEU 240 CO 0.00 -0.17 -0.44 0.00 -0.13 0.00 0.00 178.44 177.70 2roq h ALA 241 N 1.56 -1.22 -2.61 1.25 0.00 -1.65 -3.46 119.26 113.13 2roq h ALA 241 Ca 0.28 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 2roq h ALA 241 Cb 0.44 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2roq h ALA 241 CO -0.57 -1.14 -0.29 0.00 0.00 0.00 0.00 179.25 177.26 2roq n ALA 242 N -2.69 -0.49 -3.94 0.00 0.00 -0.98 -1.39 120.51 111.02 2roq n ALA 242 Ca -0.15 0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2roq n ALA 242 Cb 0.48 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.36 -3.99 0.00 0.00 1.13 -1.26 -4.89 117.38 106.01 2roq n GLN 243 Ca -0.14 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 2roq n GLN 243 Cb 0.53 -4.93 0.00 0.00 0.11 0.00 0.00 30.24 25.95 2roq n GLN 243 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2roq n GLN 244 N -4.42 0.00 0.06 -1.09 1.13 -0.49 -4.84 117.38 107.73 2roq n GLN 244 Ca -0.18 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.83 2roq n GLN 244 Cb 0.62 -0.06 0.15 0.00 0.11 0.00 0.00 30.24 31.06 2roq n GLN 244 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2roq h GLY 245 N 0.00 0.37 -0.45 1.08 0.00 -1.91 -3.46 103.07 98.70 2roq h GLY 245 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.74 2roq h GLY 245 CO 0.00 0.35 -0.18 -1.26 0.00 0.00 0.00 176.54 175.46 2roq n SER 246 N -3.97 -5.15 0.02 0.19 2.88 -1.26 -4.90 113.62 101.43 2roq n SER 246 Ca -0.02 0.23 -0.03 0.00 -1.33 0.00 0.00 58.87 57.73 2roq n SER 246 Cb 0.54 -3.48 -0.02 0.00 -0.75 0.00 0.00 64.21 60.51 2roq n SER 246 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2roq h THR 247 N 0.00 0.00 -5.92 2.46 2.02 -1.95 -3.45 112.91 106.07 2roq h THR 247 Ca -0.19 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.54 2roq h THR 247 Cb 0.95 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 2roq h THR 247 CO 0.28 0.00 -0.68 -0.24 0.37 0.00 0.00 175.52 175.26 2roq n SER 248 N -2.88 -4.14 0.00 4.18 2.88 -1.26 -4.65 113.62 107.74 2roq n SER 248 Ca -0.01 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2roq n SER 248 Cb 0.07 -3.37 0.00 0.00 -0.75 0.00 0.00 64.21 60.16 2roq n SER 248 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2roq n THR 249 N -4.30 0.00 0.09 2.46 -2.24 -1.26 -4.92 114.28 104.12 2roq n THR 249 Ca 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2roq n THR 249 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2roq h GLU 250 N 0.00 -0.26 -0.32 -0.78 5.08 -1.99 -2.13 114.58 114.18 2roq h GLU 250 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2roq h GLU 250 Cb 0.00 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 2roq h GLU 250 CO 0.00 -0.17 -0.27 1.25 -1.00 0.00 0.00 179.01 178.82 2roq h LEU 251 N -0.51 -0.89 -0.14 1.33 6.46 -1.95 -1.95 115.31 117.65 2roq h LEU 251 Ca -0.03 0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 2roq h LEU 251 Cb 0.20 0.42 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 2roq h LEU 251 CO 0.04 -0.29 -0.29 -0.26 -0.62 0.00 0.00 178.44 177.02 2roq h PHE 252 N -0.24 -0.78 -1.02 1.25 -1.00 -1.92 0.32 116.94 113.55 2roq h PHE 252 Ca 0.16 0.04 0.28 0.00 2.81 0.00 0.00 57.97 61.26 2roq h PHE 252 Cb 0.50 0.37 -0.06 0.00 3.61 0.00 0.00 35.95 40.36 2roq h PHE 252 CO -0.46 -0.37 0.71 1.15 -1.61 0.00 0.00 178.31 177.74 2roq h THR 253 N -0.35 0.51 -0.07 -1.55 2.02 -0.69 0.34 112.91 113.11 2roq h THR 253 Ca 0.10 -0.05 -0.23 0.00 0.77 0.00 0.00 66.41 67.00 2roq h THR 253 Cb 0.51 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2roq h THR 253 CO -0.34 0.03 -0.88 0.74 0.37 0.00 0.00 175.52 175.43 2roq h THR 254 N 0.15 1.31 0.27 3.16 2.02 -0.25 -2.13 112.91 117.43 2roq h THR 254 Ca 0.52 -2.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 2roq h THR 254 Cb 1.77 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 2roq h THR 254 CO -0.10 0.67 -0.13 0.40 0.37 0.00 0.00 175.52 176.73 2roq h ILE 255 N 0.41 0.03 -0.81 3.11 1.08 0.46 -1.69 117.51 120.09 2roq h ILE 255 Ca -0.08 -0.75 0.14 0.00 -0.39 0.00 0.00 64.86 63.78 2roq h ILE 255 Cb 1.51 0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 2roq h ILE 255 CO 0.17 0.01 0.53 -0.08 -0.69 0.00 0.00 178.15 178.09 2roq h GLU 256 N -1.09 0.55 -0.01 2.37 4.22 -0.77 0.29 114.58 120.14 2roq h GLU 256 Ca -0.04 -0.03 -0.18 0.00 0.08 0.00 0.00 59.36 59.19 2roq h GLU 256 Cb 0.29 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2roq h GLU 256 CO 0.06 0.36 -0.80 0.78 -2.18 0.00 0.00 179.01 177.23 2roq h GLY 257 N 0.56 0.13 0.08 1.92 0.00 -1.47 -2.12 103.07 102.18 2roq h GLY 257 Ca 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2roq h GLY 257 CO -0.16 0.20 -0.00 3.43 0.00 0.00 0.00 176.54 180.01 2roq h ASN 258 N 0.07 -0.01 -0.60 0.19 -0.26 -0.08 -2.13 115.58 112.76 2roq h ASN 258 Ca -0.02 -0.82 -0.00 0.00 -0.56 0.00 0.00 56.30 54.90 2roq h ASN 258 Cb 1.40 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.63 2roq h ASN 258 CO 0.11 0.86 0.36 0.22 -1.06 0.00 0.00 177.43 177.93 2roq h TYR 259 N -0.93 0.79 -0.14 1.19 5.03 -0.62 0.28 116.97 122.57 2roq h TYR 259 Ca -0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 2roq h TYR 259 Cb 0.83 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 2roq h TYR 259 CO 0.22 0.54 -0.00 0.00 -1.32 0.00 0.00 178.16 177.60 2roq h ALA 260 N 1.18 0.19 -0.21 1.82 0.00 -1.51 -1.14 119.26 119.59 2roq h ALA 260 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 260 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2roq h ALA 260 CO -0.04 -0.11 -0.15 -0.44 0.00 0.00 0.00 179.25 178.52 2roq h ASP 261 N -0.01 0.34 -0.30 0.00 3.32 -1.21 -1.26 116.42 117.30 2roq h ASP 261 Ca 0.04 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 2roq h ASP 261 Cb 0.37 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2roq h ASP 261 CO 0.01 0.52 -0.35 0.00 -1.72 0.00 0.00 179.24 177.70 2roq h ALA 262 N 1.52 0.45 0.00 3.45 0.00 -0.29 0.39 119.26 124.77 2roq h ALA 262 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 262 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2roq h ALA 262 CO 0.03 0.52 0.00 1.55 0.00 0.00 0.00 179.25 181.35 2roq n VAL 263 N -4.19 0.34 0.02 0.00 3.14 -0.44 -1.67 118.33 115.53 2roq n VAL 263 Ca -0.04 0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.44 2roq n VAL 263 Cb 0.51 -0.65 -0.12 0.00 -1.06 0.00 0.00 33.84 32.52 2roq n VAL 263 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2roq n ARG 264 N -1.66 0.53 0.00 1.45 -4.01 -0.50 -4.40 116.66 108.07 2roq n ARG 264 Ca 0.06 -0.14 0.10 0.00 -1.04 0.00 0.00 57.85 56.83 2roq n ARG 264 Cb 0.31 -1.36 -0.08 0.00 -3.04 0.00 0.00 32.46 28.29 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 2roq n LEU 265 N -2.01 0.94 0.15 2.89 -0.00 0.13 -4.20 117.00 114.90 2roq n LEU 265 Ca -0.03 -0.44 0.11 0.00 -0.00 0.00 0.00 56.01 55.65 2roq n LEU 265 Cb 0.40 -0.03 0.55 0.00 -0.00 0.00 0.00 43.42 44.34 2roq n LEU 265 CO 0.33 0.23 0.83 0.00 -0.00 0.00 0.00 177.39 178.78 2roq n LEU 266 N -1.51 0.57 0.02 1.47 -0.00 -0.67 -0.78 117.00 116.10 2roq n LEU 266 Ca 0.04 0.73 0.03 0.00 -0.00 0.00 0.00 56.01 56.81 2roq n LEU 266 Cb 0.33 -0.76 -0.09 0.00 -0.00 0.00 0.00 43.42 42.90 2roq n LEU 266 CO 0.42 -0.84 -0.43 1.07 -0.00 0.00 0.00 177.39 177.62 2roq n THR 267 N -2.23 0.90 -0.02 1.47 5.66 -1.26 -4.24 114.28 114.56 2roq n THR 267 Ca -0.01 -0.65 -0.10 0.00 -3.05 0.00 0.00 64.05 60.24 2roq n THR 267 Cb 0.08 -0.50 -0.14 0.00 -1.55 0.00 0.00 70.33 68.22 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 -2.72 1.62 -0.12 1.09 -1.04 -0.28 -4.94 114.28 107.89 2roq n THR 268 Ca -0.10 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.05 60.99 2roq n THR 268 Cb 0.78 -1.09 0.14 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.63 -2.49 -2.38 2.41 0.00 0.04 -5.02 120.51 110.44 2roq n ALA 269 Ca -0.20 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.29 2roq n ALA 269 Cb 1.06 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.45 2roq n ALA 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2roq s HIS 270 N -1.51 3.24 -0.29 0.00 3.76 -1.26 -5.03 115.29 114.19 2roq s HIS 270 Ca 0.32 0.18 -0.16 0.00 -0.15 0.00 0.00 55.06 55.25 2roq s HIS 270 Cb -0.06 -2.22 0.15 0.00 1.11 0.00 0.00 32.58 31.56 2roq s HIS 270 CO 0.26 -0.25 0.98 -1.54 -0.85 0.00 0.00 174.74 173.34 2roq s SER 271 N -4.19 -0.51 -0.13 1.40 1.04 -1.26 -4.73 113.70 105.32 2roq s SER 271 Ca 0.47 0.80 -0.09 0.00 0.48 0.00 0.00 55.95 57.61 2roq s SER 271 Cb -0.10 1.28 0.05 0.00 0.10 0.00 0.00 66.02 67.35 2roq s SER 271 CO 0.37 -0.12 0.33 -0.69 0.98 0.00 0.00 173.24 174.10 2roq s VAL 272 N 1.52 -0.02 0.92 5.02 1.01 -1.26 -4.97 120.40 122.61 2roq s VAL 272 Ca -0.08 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2roq s VAL 272 Cb -0.04 -0.48 0.14 0.00 0.00 0.00 0.00 36.38 36.00 2roq s VAL 272 CO -0.15 0.03 1.09 -2.16 0.00 0.00 0.00 175.10 173.91 2roq s PRO 273 N 0.94 1.04 0.05 2.72 0.04 -1.26 -4.28 135.00 134.26 2roq s PRO 273 Ca -0.06 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 2roq s PRO 273 Cb -0.07 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2roq s PRO 273 CO -0.07 -2.37 -0.04 -0.59 0.04 0.00 0.00 177.00 173.97 2roq s PHE 274 N -2.94 0.56 -0.86 0.56 -0.71 -1.26 -4.71 117.98 108.61 2roq s PHE 274 Ca 0.64 -0.94 0.01 0.00 -1.04 0.00 0.00 56.93 55.60 2roq s PHE 274 Cb -0.18 -0.38 0.32 0.00 -1.21 0.00 0.00 43.02 41.57 2roq s PHE 274 CO 0.57 -0.30 1.47 -3.47 -1.34 0.00 0.00 175.22 172.15 2roq n ASP 275 N 0.36 6.20 0.00 1.98 2.03 -1.26 -4.59 116.55 121.26 2roq n ASP 275 Ca -0.15 -3.67 0.00 0.00 0.52 0.00 0.00 54.79 51.49 2roq n ASP 275 Cb 0.60 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2roq n GLY 276 N -0.01 4.52 2.92 0.27 0.00 -1.26 -4.92 105.19 106.70 2roq n GLY 276 Ca 0.40 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 4.31 1.18 0.14 1.61 1.02 -1.26 -3.37 119.74 123.38 2roq s LYS 277 Ca 0.00 -0.20 -0.14 0.00 0.02 0.00 0.00 55.97 55.65 2roq s LYS 277 Cb 0.00 -1.15 0.02 0.00 -0.52 0.00 0.00 37.83 36.18 2roq s LYS 277 CO 0.00 -0.10 0.38 0.00 -0.92 0.00 0.00 175.35 174.71 2roq s ALA 278 N 1.09 -0.68 0.33 5.17 0.00 -1.23 -2.39 121.76 124.05 2roq s ALA 278 Ca -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2roq s ALA 278 Cb -0.14 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2roq s ALA 278 CO -0.01 -0.67 0.53 0.99 0.00 0.00 0.00 175.76 176.61 2roq s THR 279 N -3.86 5.11 -0.07 0.00 2.01 -1.22 -3.00 115.64 114.61 2roq s THR 279 Ca 0.07 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 2roq s THR 279 Cb 0.02 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2roq s THR 279 CO -0.07 -0.50 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.10 2roq s LEU 280 N -4.15 0.98 -0.34 4.42 1.98 -1.05 -3.39 118.68 117.13 2roq s LEU 280 Ca 0.40 -0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.49 2roq s LEU 280 Cb -0.10 -0.51 0.07 0.00 0.66 0.00 0.00 46.19 46.31 2roq s LEU 280 CO 0.35 -0.12 0.07 0.12 -1.89 0.00 0.00 176.35 174.87 2roq s PHE 281 N 1.50 3.42 0.37 5.38 2.19 -1.17 -3.23 117.98 126.44 2roq s PHE 281 Ca -0.02 -2.16 -0.08 0.00 0.33 0.00 0.00 56.93 55.00 2roq s PHE 281 Cb -0.13 -2.55 -0.06 0.00 -1.31 0.00 0.00 43.02 38.97 2roq s PHE 281 CO -0.03 -0.87 0.69 0.54 1.83 0.00 0.00 175.22 177.37 2roq s VAL 282 N 1.18 4.89 -0.69 3.12 0.11 -1.23 -1.68 120.40 126.10 2roq s VAL 282 Ca 0.01 0.36 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 2roq s VAL 282 Cb -0.21 -3.75 0.19 0.00 -1.53 0.00 0.00 36.38 31.09 2roq s VAL 282 CO -0.03 -0.48 0.57 0.00 -3.33 0.00 0.00 175.10 171.84 2roq n ALA 283 N -1.26 3.62 0.31 1.54 0.00 -1.26 -4.17 120.51 119.28 2roq n ALA 283 Ca 0.01 -4.60 0.18 0.00 0.00 0.00 0.00 53.44 49.02 2roq n ALA 283 Cb 0.54 -0.99 0.99 0.00 0.00 0.00 0.00 19.45 19.98 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 5.02 0.00 0.00 0.00 4.81 -1.75 0.29 114.58 122.95 2roq h GLU 284 Ca 0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2roq h GLU 284 Cb 0.72 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2roq h GLU 284 CO 0.75 0.02 -0.05 0.07 -0.73 0.00 0.00 179.01 179.08 2roq h ARG 285 N 0.00 0.00 0.00 1.92 -0.00 -1.85 -3.05 114.38 111.41 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 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.07 2roq h ARG 285 CO 0.00 0.05 -0.90 0.25 -0.00 0.00 0.00 179.97 179.37 2roq n THR 286 N -3.60 0.00 -3.95 0.08 -2.24 -0.47 -5.00 114.28 99.09 2roq n THR 286 Ca -0.02 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 2roq n THR 286 Cb 0.15 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.84 3.63 0.00 3.22 2.96 0.91 -4.98 118.68 121.57 2roq s LEU 287 Ca 0.00 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2roq s LEU 287 Cb 0.00 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.75 2roq s LEU 287 CO 0.00 0.09 0.00 1.67 -1.32 0.00 0.00 176.35 176.79 2roq n GLN 288 N 4.09 0.00 -0.65 1.98 7.27 -1.26 -4.37 117.38 124.44 2roq n GLN 288 Ca -0.16 0.00 0.01 0.00 0.07 0.00 0.00 57.00 56.92 2roq n GLN 288 Cb 0.52 -0.01 0.22 0.00 2.41 0.00 0.00 30.24 33.38 2roq n GLN 288 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2roq n GLU 289 N -2.24 2.28 0.12 3.69 0.00 -1.26 -4.54 120.64 118.69 2roq n GLU 289 Ca 0.00 -3.02 0.12 0.00 0.00 0.00 0.00 57.16 54.26 2roq n GLU 289 Cb 0.00 -1.83 0.04 0.00 0.00 0.00 0.00 31.44 29.65 2roq n GLU 289 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2roq h GLY 290 N 1.29 0.00 -2.04 8.31 0.00 -1.91 -3.47 103.07 105.25 2roq h GLY 290 Ca 0.14 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.89 2roq h GLY 290 CO 0.33 0.00 -0.58 -0.29 0.00 0.00 0.00 176.54 176.00 2roq s MET 291 N -3.32 2.12 -0.73 4.80 -2.45 -1.26 -4.85 119.30 113.61 2roq s MET 291 Ca 0.01 -1.79 -0.01 0.00 -1.25 0.00 0.00 55.69 52.66 2roq s MET 291 Cb 0.09 -1.93 0.00 0.00 1.25 0.00 0.00 34.83 34.24 2roq s MET 291 CO 0.77 0.06 0.69 0.45 1.05 0.00 0.00 175.02 178.03 2roq n SER 292 N -1.04 -7.59 -4.47 1.11 2.88 -1.26 -4.81 113.62 98.45 2roq n SER 292 Ca -0.03 -0.11 -0.30 0.00 -1.33 0.00 0.00 58.87 57.09 2roq n SER 292 Cb 0.63 -5.04 -0.06 0.00 -0.75 0.00 0.00 64.21 58.99 2roq n SER 292 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 293 N -1.77 1.58 -3.27 -1.46 -0.04 -1.26 -3.97 135.00 124.82 2roq n PRO 293 Ca -0.02 -2.40 -0.23 0.00 -0.04 0.00 0.00 63.50 60.82 2roq n PRO 293 Cb 0.51 -3.64 0.01 0.00 -0.04 0.00 0.00 33.50 30.34 2roq n PRO 293 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roq n GLU 294 N 8.13 -3.82 -0.79 0.54 2.13 -1.26 -4.62 120.64 120.95 2roq n GLU 294 Ca 0.45 0.59 0.11 0.00 0.66 0.00 0.00 57.16 58.97 2roq n GLU 294 Cb 0.46 -5.34 -0.03 0.00 0.27 0.00 0.00 31.44 26.80 2roq n GLU 294 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2roq n ARG 295 N -3.81 -1.58 -2.75 5.31 0.63 -1.25 -4.99 116.66 108.21 2roq n ARG 295 Ca -0.04 1.04 -0.04 0.00 -0.92 0.00 0.00 57.85 57.89 2roq n ARG 295 Cb 0.56 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.55 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2roq n ALA 296 N -1.24 -3.25 0.02 5.13 0.00 -1.26 -5.01 120.51 114.90 2roq n ALA 296 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.27 2roq n ALA 296 Cb 0.36 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 0.18 -0.42 -3.12 0.00 -0.00 -1.26 -4.98 117.44 107.84 2roq n TRP 297 Ca 0.06 0.07 -0.03 0.00 -0.00 0.00 0.00 57.50 57.61 2roq n TRP 297 Cb 0.23 0.50 0.00 0.00 -0.00 0.00 0.00 31.31 32.03 2roq n TRP 297 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 2roq n SER 298 N -2.68 -7.53 -4.77 5.87 7.64 -1.26 -4.97 113.62 105.93 2roq n SER 298 Ca 0.00 -0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.42 2roq n SER 298 Cb 0.02 -4.96 0.05 0.00 -1.01 0.00 0.00 64.21 58.30 2roq n SER 298 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 299 N -3.17 2.77 -1.13 1.43 0.04 -1.26 -4.93 135.00 128.76 2roq s PRO 299 Ca 0.01 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 2roq s PRO 299 Cb -0.00 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.63 2roq s PRO 299 CO 0.77 -1.27 1.64 -1.58 0.04 0.00 0.00 177.00 176.60 2roq s TRP 300 N -2.36 2.53 0.02 0.56 0.52 -1.26 -4.92 118.94 114.03 2roq s TRP 300 Ca 0.67 -0.94 -0.01 0.00 0.02 0.00 0.00 56.10 55.84 2roq s TRP 300 Cb -0.20 -4.62 -0.02 0.00 -1.15 0.00 0.00 33.47 27.47 2roq s TRP 300 CO 0.42 -1.82 -0.02 0.96 0.02 0.00 0.00 176.95 176.51 2roq s ILE 301 N 5.53 0.13 -0.19 2.03 -4.36 -1.26 -4.79 121.20 118.30 2roq s ILE 301 Ca 0.53 -1.04 -0.13 0.00 -0.26 0.00 0.00 60.65 59.75 2roq s ILE 301 Cb 0.01 -0.48 -0.08 0.00 1.25 0.00 0.00 42.46 43.16 2roq s ILE 301 CO -0.01 -0.58 -0.29 0.00 0.24 0.00 0.00 174.94 174.31 2roq n ALA 302 N 1.34 1.44 -3.61 2.27 0.00 -1.26 -5.06 120.51 115.63 2roq n ALA 302 Ca -0.22 -0.80 -0.03 0.00 0.00 0.00 0.00 53.44 52.38 2roq n ALA 302 Cb 0.56 0.15 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.54 0.51 0.26 0.00 2.56 -1.22 -5.06 118.70 113.21 2roq s GLU 303 Ca -0.28 0.96 -0.21 0.00 0.00 0.00 0.00 54.97 55.44 2roq s GLU 303 Cb 0.09 0.24 0.03 0.00 2.00 0.00 0.00 34.13 36.48 2roq s GLU 303 CO 0.38 -0.12 0.68 -0.48 -0.56 0.00 0.00 175.26 175.15 2roq s LEU 304 N 1.78 -0.26 -0.47 2.70 0.05 -1.26 -3.47 118.68 117.75 2roq s LEU 304 Ca -0.08 -0.54 0.03 0.00 0.05 0.00 0.00 54.13 53.59 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 -1.27 0.21 -1.81 -0.55 0.00 0.00 176.35 172.75 2roq s ASP 305 N -2.90 4.64 -0.17 1.48 1.11 -1.16 -5.01 116.67 114.65 2roq s ASP 305 Ca 0.10 -2.65 -0.08 0.00 0.18 0.00 0.00 52.55 50.10 2roq s ASP 305 Cb -0.05 -1.68 -0.05 0.00 1.07 0.00 0.00 42.92 42.22 2roq s ASP 305 CO 0.04 -0.32 0.12 -0.51 1.18 0.00 0.00 175.17 175.68 2roq s ILE 306 N 0.22 5.34 0.18 0.77 -1.16 -1.26 -2.53 121.20 122.76 2roq s ILE 306 Ca 0.14 0.16 0.07 0.00 -0.51 0.00 0.00 60.65 60.52 2roq s ILE 306 Cb -0.23 -3.39 -0.04 0.00 0.61 0.00 0.00 42.46 39.41 2roq s ILE 306 CO -0.03 0.51 -0.15 -0.31 -2.81 0.00 0.00 174.94 172.14 2roq s TYR 307 N -0.14 1.67 -0.31 3.50 1.51 -1.20 -5.01 117.35 117.37 2roq s TYR 307 Ca 0.10 -0.56 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2roq s TYR 307 Cb -0.11 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 2roq s TYR 307 CO 0.00 0.31 0.08 -0.98 -1.11 0.00 0.00 175.55 173.85 2roq s ARG 308 N -3.32 2.81 -0.12 -0.62 1.70 -1.26 -3.48 118.95 114.65 2roq s ARG 308 Ca 0.19 -1.04 -0.08 0.00 -0.47 0.00 0.00 55.73 54.32 2roq s ARG 308 Cb -0.02 -3.39 0.04 0.00 -0.57 0.00 0.00 34.95 31.01 2roq s ARG 308 CO 0.06 -0.56 0.31 -1.14 -1.08 0.00 0.00 175.30 172.89 2roq s GLN 309 N 1.43 0.31 -0.72 3.89 0.74 -1.26 -5.01 119.66 119.03 2roq s GLN 309 Ca -0.00 0.56 -0.26 0.00 0.05 0.00 0.00 55.36 55.71 2roq s GLN 309 Cb -0.18 0.01 -0.07 0.00 1.10 0.00 0.00 33.01 33.87 2roq s GLN 309 CO 0.02 -0.12 2.14 0.16 -0.55 0.00 0.00 175.29 176.95 2roq s ASP 310 N 0.90 4.69 -0.17 6.67 1.47 -1.26 -3.29 116.67 125.67 2roq s ASP 310 Ca -0.06 0.10 -0.06 0.00 1.18 0.00 0.00 52.55 53.71 2roq s ASP 310 Cb -0.07 -2.54 0.08 0.00 -0.34 0.00 0.00 42.92 40.06 2roq s ASP 310 CO -0.06 -2.99 0.36 0.00 0.68 0.00 0.00 175.17 173.15 2roq s ALA 312 N 2.54 3.41 0.35 0.00 0.00 -1.26 -4.25 121.76 122.55 2roq s ALA 312 Ca 0.00 -0.24 0.35 0.00 0.00 0.00 0.00 51.96 52.07 2roq s ALA 312 Cb -0.12 -2.61 1.92 0.00 0.00 0.00 0.00 23.12 22.31 2roq s ALA 312 CO -0.11 0.13 2.08 1.12 0.00 0.00 0.00 175.76 178.98 2roq h HIS 313 N 1.58 0.00 0.00 0.00 2.07 -1.98 0.34 115.15 117.17 2roq h HIS 313 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2roq h HIS 313 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2roq h HIS 313 CO 0.60 0.00 -0.97 1.33 -3.07 0.00 0.00 177.93 175.82 2roq n VAL 314 N -2.76 0.00 -1.80 6.12 0.24 -1.26 -4.34 118.33 114.54 2roq n VAL 314 Ca -0.02 -0.04 0.05 0.00 -2.04 0.00 0.00 64.34 62.29 2roq n VAL 314 Cb 0.08 0.97 0.12 0.00 -1.47 0.00 0.00 33.84 33.54 2roq n VAL 314 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roq n ASP 315 N -1.49 1.42 -0.10 -1.34 2.03 0.54 -4.68 116.55 112.94 2roq n ASP 315 Ca 0.04 -3.00 0.02 0.00 0.52 0.00 0.00 54.79 52.37 2roq n ASP 315 Cb 0.32 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ILE 316 N -0.60 0.00 0.55 5.18 3.06 0.90 -4.39 119.36 124.06 2roq n ILE 316 Ca 0.13 -0.47 0.12 0.00 -2.50 0.00 0.00 62.75 60.02 2roq n ILE 316 Cb 0.81 1.05 0.12 0.00 0.54 0.00 0.00 39.64 42.16 2roq n ILE 316 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2roq n ILE 317 N -0.24 0.30 -0.66 9.51 0.13 -1.26 -4.71 119.36 122.43 2roq n ILE 317 Ca 0.02 -0.27 -0.31 0.00 -1.10 0.00 0.00 62.75 61.08 2roq n ILE 317 Cb 0.08 -0.03 0.18 0.00 -0.84 0.00 0.00 39.64 39.03 2roq n ILE 317 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 2roq n SER 318 N -2.08 -0.79 0.00 9.51 7.64 -1.26 -4.86 113.62 121.78 2roq n SER 318 Ca 0.03 0.25 0.07 0.00 1.01 0.00 0.00 58.87 60.23 2roq n SER 318 Cb 0.44 -1.34 0.37 0.00 -1.01 0.00 0.00 64.21 62.67 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2roq n PRO 319 N -3.66 0.19 -0.08 1.43 -0.04 -1.26 -3.12 135.00 128.47 2roq n PRO 319 Ca 0.08 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2roq n PRO 319 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 2.44 0.62 1.33 0.55 0.00 -1.94 -2.08 103.07 103.99 2roq h GLY 320 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 47.33 46.37 2roq h GLY 320 CO 0.00 0.58 -1.46 -0.84 0.00 0.00 0.00 176.54 174.83 2roq h THR 321 N 0.27 1.27 -0.47 4.70 2.02 -1.83 -2.13 112.91 116.74 2roq h THR 321 Ca 0.03 -2.82 -0.04 0.00 0.77 0.00 0.00 66.41 64.36 2roq h THR 321 Cb 0.80 2.91 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 2roq h THR 321 CO 0.06 0.84 0.14 -0.26 0.37 0.00 0.00 175.52 176.67 2roq h PHE 322 N 0.10 0.70 0.04 3.16 0.04 -1.63 -2.06 116.94 117.30 2roq h PHE 322 Ca -0.23 -0.05 -0.27 0.00 2.80 0.00 0.00 57.97 60.23 2roq h PHE 322 Cb 2.06 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.98 2roq h PHE 322 CO 0.09 0.58 -1.39 1.05 -0.60 0.00 0.00 178.31 178.04 2roq h GLU 323 N 0.68 0.09 -0.13 1.51 -0.00 -1.46 -3.36 114.58 111.91 2roq h GLU 323 Ca 0.16 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2roq h GLU 323 Cb 0.22 0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.02 2roq h GLU 323 CO -0.01 0.91 0.08 0.87 -0.00 0.00 0.00 179.01 180.86 2roq h LYS 324 N 0.03 0.17 -2.36 1.06 1.79 -1.07 -3.14 116.57 113.04 2roq h LYS 324 Ca -0.17 -0.01 -0.80 0.00 -2.18 0.00 0.00 60.65 57.49 2roq h LYS 324 Cb 1.93 -0.04 -0.24 0.00 -1.58 0.00 0.00 32.23 32.30 2roq h LYS 324 CO 0.13 0.15 1.29 0.44 -1.08 0.00 0.00 179.45 180.38 2roq n ILE 325 N -4.98 5.91 -0.01 1.86 -5.35 -0.80 -4.72 119.36 111.28 2roq n ILE 325 Ca -0.05 -5.67 -0.01 0.00 -0.27 0.00 0.00 62.75 56.76 2roq n ILE 325 Cb 0.05 -1.68 -0.00 0.00 -1.74 0.00 0.00 39.64 36.26 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 0.36 -0.58 0.00 3.28 0.00 -1.19 -3.81 105.19 103.26 2roq n GLY 326 Ca 0.49 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.55 0.13 -0.01 1.61 -0.04 -1.26 -1.74 135.00 131.15 2roq n PRO 327 Ca -0.01 0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2roq n PRO 327 Cb 0.03 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.36 1.45 -0.04 0.52 -6.64 -1.26 -3.35 119.36 108.67 2roq n ILE 328 Ca 0.06 -0.76 -0.10 0.00 -1.77 0.00 0.00 62.75 60.18 2roq n ILE 328 Cb 0.13 -0.91 -0.15 0.00 -1.44 0.00 0.00 39.64 37.28 2roq n ILE 328 CO 0.00 0.00 0.00 2.30 -1.77 0.00 0.00 176.55 177.08 2roq n ILE 329 N -2.97 1.56 -0.06 7.28 -5.35 -0.99 -3.11 119.36 115.72 2roq n ILE 329 Ca -0.15 -0.80 -0.15 0.00 -0.27 0.00 0.00 62.75 61.38 2roq n ILE 329 Cb 0.98 -0.94 -0.06 0.00 -1.74 0.00 0.00 39.64 37.88 2roq n ILE 329 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2roq h ARG 330 N 0.00 0.70 -0.10 6.28 2.43 -1.51 -0.79 114.38 121.38 2roq h ARG 330 Ca -0.37 -0.47 -0.24 0.00 -0.81 0.00 0.00 59.98 58.09 2roq h ARG 330 Cb 2.08 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.70 2roq h ARG 330 CO 0.06 1.09 -0.86 0.00 -1.51 0.00 0.00 179.97 178.75 2roq h ALA 331 N 0.61 0.27 -0.23 2.80 0.00 -1.74 -2.12 119.26 118.84 2roq h ALA 331 Ca -0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 2roq h ALA 331 Cb 1.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2roq h ALA 331 CO 0.11 0.69 -0.39 1.15 0.00 0.00 0.00 179.25 180.81 2roq h THR 332 N 0.48 1.30 0.00 0.00 2.02 -1.59 -2.02 112.91 113.10 2roq h THR 332 Ca -0.08 -1.53 -0.06 0.00 0.77 0.00 0.00 66.41 65.51 2roq h THR 332 Cb 1.50 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 2roq h THR 332 CO 0.17 0.48 -0.30 -0.07 0.37 0.00 0.00 175.52 176.17 2roq h LEU 333 N 0.44 0.00 0.00 2.58 3.38 -1.16 -2.12 115.31 118.43 2roq h LEU 333 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2roq h LEU 333 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2roq h LEU 333 CO 0.07 0.30 -0.94 -1.13 0.09 0.00 0.00 178.44 176.83 2roq h ASN 334 N 0.00 0.00 0.25 -0.43 -1.24 -1.13 -1.56 115.58 111.47 2roq h ASN 334 Ca -0.00 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.67 2roq h ASN 334 Cb 1.08 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.14 2roq h ASN 334 CO 0.04 0.86 -1.63 0.08 -1.29 0.00 0.00 177.43 175.49 2roq h ARG 335 N 0.00 0.43 0.00 6.67 0.11 -1.33 -3.32 114.38 116.94 2roq h ARG 335 Ca -0.03 -0.74 0.00 0.00 0.10 0.00 0.00 59.98 59.31 2roq h ARG 335 Cb 1.69 0.27 0.00 0.00 1.11 0.00 0.00 29.97 33.04 2roq h ARG 335 CO 0.11 1.34 -0.14 1.37 0.10 0.00 0.00 179.97 182.75 2roq h LEU 336 N 0.12 0.00 -0.32 0.08 8.10 -1.49 -3.15 115.31 118.65 2roq h LEU 336 Ca -0.30 -0.01 0.07 0.00 0.11 0.00 0.00 57.88 57.75 2roq h LEU 336 Cb 2.12 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 42.26 2roq h LEU 336 CO 0.21 0.00 -0.19 -0.33 -4.11 0.00 0.00 178.44 174.03 2roq h GLU 337 N 0.00 -0.14 0.00 0.17 5.08 -1.38 -3.44 114.58 114.87 2roq h GLU 337 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2roq h GLU 337 Cb 0.94 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2roq h GLU 337 CO 0.00 -0.10 0.00 0.72 -1.00 0.00 0.00 179.01 178.63 2roq n HIS 338 N -5.35 -2.75 -4.27 4.33 8.25 -1.25 -4.89 115.22 109.28 2roq n HIS 338 Ca 0.01 0.65 -0.16 0.00 -0.26 0.00 0.00 57.72 57.96 2roq n HIS 338 Cb 0.27 1.38 -0.10 0.00 1.12 0.00 0.00 29.99 32.65 2roq n HIS 338 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2roq s HIS 339 N -1.80 1.40 0.16 4.41 2.46 -1.22 -5.09 115.29 115.61 2roq s HIS 339 Ca 0.00 -0.67 0.10 0.00 0.47 0.00 0.00 55.06 54.95 2roq s HIS 339 Cb 0.00 -0.70 -0.04 0.00 -0.13 0.00 0.00 32.58 31.71 2roq s HIS 339 CO 0.00 0.16 -0.17 -3.38 -2.47 0.00 0.00 174.74 168.88 2roq s HIS 340 N -3.01 2.50 -0.33 3.88 -3.43 -1.19 -4.12 115.29 109.58 2roq s HIS 340 Ca 0.17 -0.28 0.17 0.00 -0.80 0.00 0.00 55.06 54.31 2roq s HIS 340 Cb 0.00 -1.27 0.45 0.00 -1.43 0.00 0.00 32.58 30.34 2roq s HIS 340 CO 0.03 0.46 1.06 -2.39 -2.00 0.00 0.00 174.74 171.90 2roq n HIS 341 N 0.40 0.37 -4.43 0.38 1.44 -1.26 -5.10 115.22 107.02 2roq n HIS 341 Ca -0.13 -2.52 0.03 0.00 -2.01 0.00 0.00 57.72 53.08 2roq n HIS 341 Cb 0.54 0.07 -0.01 0.00 0.12 0.00 0.00 29.99 30.72 2roq n HIS 341 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2roq n HIS 342 N -0.27 -2.21 -0.01 -1.40 8.25 -1.26 -5.19 115.22 113.13 2roq n HIS 342 Ca 0.06 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2roq n HIS 342 Cb 0.83 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.73 2roq n HIS 342 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59