#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 -1.64 -4.74 3.17 -0.00 -1.26 -5.15 117.00 107.38 2roq n LEU 2 Ca 0.00 -3.87 -0.30 0.00 -0.00 0.00 0.00 56.01 51.83 2roq n LEU 2 Cb 0.00 0.75 0.11 0.00 -0.00 0.00 0.00 43.42 44.29 2roq n LEU 2 CO 0.00 2.03 0.68 -2.16 -0.00 0.00 0.00 177.39 177.94 2roq s PRO 3 N -0.07 1.79 0.73 1.47 0.04 -1.26 -5.03 135.00 132.67 2roq s PRO 3 Ca 0.33 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2roq s PRO 3 Cb 0.20 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.91 2roq s PRO 3 CO -0.19 -1.93 1.08 -1.21 0.04 0.00 0.00 177.00 174.79 2roq s GLU 4 N -4.92 2.65 0.24 4.56 2.02 -1.26 -4.95 118.70 117.05 2roq s GLU 4 Ca 0.62 0.76 -0.05 0.00 0.02 0.00 0.00 54.97 56.32 2roq s GLU 4 Cb -0.18 -1.97 0.44 0.00 0.10 0.00 0.00 34.13 32.52 2roq s GLU 4 CO 0.56 -1.25 1.73 1.25 0.02 0.00 0.00 175.26 177.57 2roq h LEU 5 N -0.82 0.26 -2.89 1.80 7.12 -2.04 -3.46 115.31 115.28 2roq h LEU 5 Ca -0.45 0.11 -0.19 0.00 0.13 0.00 0.00 57.88 57.48 2roq h LEU 5 Cb 1.24 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 2roq h LEU 5 CO 0.59 0.10 -0.46 0.29 -0.13 0.00 0.00 178.44 178.83 2roq n LYS 6 N -5.01 -1.49 -4.05 1.25 5.02 -1.26 -4.99 118.16 107.63 2roq n LYS 6 Ca 0.14 1.28 -0.34 0.00 -2.02 0.00 0.00 58.31 57.37 2roq n LYS 6 Cb 0.40 -4.41 -0.15 0.00 -0.02 0.00 0.00 35.03 30.85 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 -2.91 2.49 -0.05 7.82 0.00 -1.26 -4.88 121.76 122.96 2roq s ALA 7 Ca 0.03 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2roq s ALA 7 Cb -0.01 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2roq s ALA 7 CO 0.81 -0.44 -0.13 -0.65 0.00 0.00 0.00 175.76 175.34 2roq s GLN 8 N 1.33 1.63 -0.31 0.00 -1.52 -1.26 -5.04 119.66 114.51 2roq s GLN 8 Ca 0.04 -0.47 -0.01 0.00 -1.95 0.00 0.00 55.36 52.98 2roq s GLN 8 Cb -0.14 -1.39 0.30 0.00 -0.22 0.00 0.00 33.01 31.56 2roq s GLN 8 CO -0.10 0.11 1.35 0.00 -0.25 0.00 0.00 175.29 176.40 2roq n ALA 9 N 3.51 -3.72 0.58 6.09 0.00 -1.26 -4.77 120.51 120.95 2roq n ALA 9 Ca -0.21 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.11 2roq n ALA 9 Cb 0.53 -3.46 0.33 0.00 0.00 0.00 0.00 19.45 16.85 2roq n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 10 N 1.13 0.10 -0.81 0.00 -0.04 -1.26 -4.84 135.00 129.28 2roq n PRO 10 Ca -0.03 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2roq n PRO 10 Cb 0.74 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.04 0.67 2.85 0.55 0.00 -1.26 -5.01 105.19 102.95 2roq n GLY 11 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N -0.19 0.88 0.50 1.61 3.03 -1.26 -2.36 118.95 121.16 2roq s ARG 12 Ca 0.00 -0.05 0.00 0.00 2.03 0.00 0.00 55.73 57.71 2roq s ARG 12 Cb 0.00 -1.04 0.00 0.00 -1.03 0.00 0.00 34.95 32.88 2roq s ARG 12 CO 0.00 -0.20 0.00 0.00 -1.13 0.00 0.00 175.30 173.97 2roq n ALA 13 N 4.65 -2.49 -1.00 7.88 0.00 -1.26 -4.62 120.51 123.66 2roq n ALA 13 Ca -0.15 0.61 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2roq n ALA 13 Cb 0.50 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2roq n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 14 N -3.26 -1.12 -3.98 0.00 -0.04 -1.26 -4.10 135.00 121.23 2roq n PRO 14 Ca -0.04 -0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 2roq n PRO 14 Cb 0.49 -0.08 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 2roq n PRO 14 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2roq s LYS 15 N -3.12 1.47 0.00 0.54 2.36 -1.26 -5.00 119.74 114.73 2roq s LYS 15 Ca 0.03 -1.23 0.23 0.00 -2.55 0.00 0.00 55.97 52.46 2roq s LYS 15 Cb -0.00 0.45 0.31 0.00 -1.05 0.00 0.00 37.83 37.55 2roq s LYS 15 CO 0.03 -0.60 1.32 0.00 1.55 0.00 0.00 175.35 177.65 2roq n ALA 16 N -0.35 2.43 -1.63 3.13 0.00 -1.26 -1.54 120.51 121.29 2roq n ALA 16 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2roq n ALA 16 Cb 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 1.40 0.67 0.04 0.00 0.00 -1.26 -4.71 105.19 101.33 2roq n GLY 17 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.34 0.02 1.61 7.64 -1.26 -3.59 113.62 118.38 2roq n SER 18 Ca 0.00 -0.09 -0.07 0.00 1.01 0.00 0.00 58.87 59.72 2roq n SER 18 Cb 0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.18 0.00 -0.99 1.43 5.08 -1.86 -3.35 114.58 115.07 2roq h GLU 19 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 2roq h GLU 19 Cb 0.47 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 2roq h GLU 19 CO 0.00 0.62 0.62 0.00 -1.00 0.00 0.00 179.01 179.25 2roq h THR 20 N 0.00 0.65 -0.02 1.13 1.03 -1.33 0.31 112.91 114.68 2roq h THR 20 Ca -0.18 -0.20 -0.16 0.00 -0.01 0.00 0.00 66.41 65.86 2roq h THR 20 Cb 1.86 0.02 -0.02 0.00 -1.07 0.00 0.00 68.15 68.95 2roq h THR 20 CO 0.09 0.11 -0.73 0.16 -0.01 0.00 0.00 175.52 175.14 2roq h ILE 21 N 0.58 1.47 0.06 0.00 3.07 -1.78 -2.22 117.51 118.69 2roq h ILE 21 Ca 0.56 -2.36 -0.00 0.00 1.55 0.00 0.00 64.86 64.61 2roq h ILE 21 Cb 1.12 2.27 0.00 0.00 -0.27 0.00 0.00 36.82 39.94 2roq h ILE 21 CO -0.31 0.68 -0.03 0.40 -1.05 0.00 0.00 178.15 177.85 2roq h ILE 22 N 0.08 1.27 -0.41 0.16 1.08 -0.64 -2.16 117.51 116.89 2roq h ILE 22 Ca -0.02 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.17 2roq h ILE 22 Cb 1.29 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 37.08 2roq h ILE 22 CO 0.10 0.30 0.09 0.00 -0.69 0.00 0.00 178.15 177.96 2roq h ALA 23 N 0.23 1.39 -0.21 1.87 0.00 -0.97 -2.02 119.26 119.55 2roq h ALA 23 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2roq h ALA 23 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2roq h ALA 23 CO 0.01 0.44 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 2roq h ALA 24 N 1.51 0.97 0.00 0.00 0.00 -1.42 0.17 119.26 120.49 2roq h ALA 24 Ca 0.14 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2roq h ALA 24 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2roq h ALA 24 CO -0.00 0.61 -0.50 0.00 0.00 0.00 0.00 179.25 179.37 2roq h ALA 25 N 1.22 0.91 0.13 0.00 0.00 -0.86 -1.73 119.26 118.92 2roq h ALA 25 Ca 0.04 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 2roq h ALA 25 Cb 0.83 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 25 CO 0.07 0.62 -1.27 0.74 0.00 0.00 0.00 179.25 179.40 2roq h PHE 26 N 0.00 0.50 0.00 0.00 0.04 -1.14 -2.15 116.94 114.20 2roq h PHE 26 Ca -0.00 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.40 2roq h PHE 26 Cb 1.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2roq h PHE 26 CO 0.00 1.50 0.00 1.03 -0.60 0.00 0.00 178.31 180.24 2roq h SER 27 N -0.29 0.00 0.13 2.17 0.87 -1.01 0.29 113.55 115.71 2roq h SER 27 Ca -0.26 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.94 2roq h SER 27 Cb 1.76 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.67 2roq h SER 27 CO 0.10 0.00 -2.18 -0.24 -0.53 0.00 0.00 176.83 173.98 2roq n SER 28 N -2.43 1.31 0.08 6.23 2.88 -0.65 0.08 113.62 121.11 2roq n SER 28 Ca 0.03 0.10 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 2roq n SER 28 Cb 0.31 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 2roq n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2roq h LEU 29 N 0.02 0.00 -2.88 2.46 3.38 -1.31 -3.31 115.31 113.67 2roq h LEU 29 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2roq h LEU 29 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2roq h LEU 29 CO 0.02 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.12 2roq n LEU 30 N -2.92 3.28 -3.69 1.67 4.77 0.10 -5.00 117.00 115.21 2roq n LEU 30 Ca -0.04 -2.06 -0.29 0.00 -0.03 0.00 0.00 56.01 53.59 2roq n LEU 30 Cb 0.73 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2roq n LEU 30 CO 0.41 0.80 -0.07 0.61 -1.33 0.00 0.00 177.39 177.81 2roq n GLY 31 N 0.77 -1.05 1.30 -0.72 0.00 -1.14 -4.52 105.19 99.83 2roq n GLY 31 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.76 0.00 -4.64 0.00 8.00 -1.26 -4.99 116.55 114.42 2roq n ASP 33 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2roq n ASP 33 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.00 3.11 -0.00 2.53 1.01 -1.26 -4.79 120.40 121.00 2roq s VAL 34 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2roq s VAL 34 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2roq s VAL 34 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.06 2roq n GLN 35 N 7.98 0.53 -2.82 2.72 1.13 -1.26 -5.03 117.38 120.62 2roq n GLN 35 Ca 0.23 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.21 2roq n GLN 35 Cb 0.43 -1.00 -0.03 0.00 0.11 0.00 0.00 30.24 29.75 2roq n GLN 35 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2roq n ASP 36 N -1.57 0.13 -0.08 1.08 5.75 -1.26 -4.29 116.55 116.31 2roq n ASP 36 Ca -0.00 -1.79 -0.05 0.00 -0.01 0.00 0.00 54.79 52.94 2roq n ASP 36 Cb 0.07 0.53 -0.16 0.00 -1.03 0.00 0.00 41.12 40.54 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roq n ALA 37 N -2.21 1.79 -0.72 2.12 0.00 -1.21 -4.35 120.51 115.94 2roq n ALA 37 Ca -0.05 -1.14 -0.19 0.00 0.00 0.00 0.00 53.44 52.07 2roq n ALA 37 Cb 0.22 -0.30 0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.63 5.06 -4.53 0.00 2.03 -1.00 0.52 116.55 116.01 2roq n ASP 38 Ca -0.26 -3.16 -0.29 0.00 0.52 0.00 0.00 54.79 51.60 2roq n ASP 38 Cb 1.02 -0.87 0.23 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.29 -0.04 -0.19 -1.67 0.00 -1.26 -4.92 121.76 111.39 2roq s ALA 39 Ca 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2roq s ALA 39 Cb 0.32 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 20.18 2roq s ALA 39 CO 0.04 -3.63 0.01 -0.51 0.00 0.00 0.00 175.76 171.66 2roq s ASP 40 N -2.51 2.93 0.31 0.00 1.11 -1.26 -3.79 116.67 113.46 2roq s ASP 40 Ca 0.68 -0.79 0.07 0.00 0.18 0.00 0.00 52.55 52.70 2roq s ASP 40 Cb -0.25 -0.72 0.89 0.00 1.07 0.00 0.00 42.92 43.91 2roq s ASP 40 CO 0.63 -0.27 1.63 0.15 1.18 0.00 0.00 175.17 178.49 2roq h PHE 41 N 8.19 0.49 -0.73 4.23 3.04 -1.89 0.46 116.94 130.73 2roq h PHE 41 Ca -0.18 0.05 0.15 0.00 3.98 0.00 0.00 57.97 61.97 2roq h PHE 41 Cb 1.11 -0.06 -0.10 0.00 2.56 0.00 0.00 35.95 39.46 2roq h PHE 41 CO 0.36 -0.27 0.22 0.74 -2.02 0.00 0.00 178.31 177.34 2roq h PHE 42 N 0.18 0.36 0.00 0.41 0.04 -1.89 0.40 116.94 116.43 2roq h PHE 42 Ca 0.64 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.45 2roq h PHE 42 Cb 1.41 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2roq h PHE 42 CO -0.21 -0.02 -0.19 0.00 -0.60 0.00 0.00 178.31 177.29 2roq h ALA 43 N 1.57 0.89 -0.50 2.45 0.00 -0.53 -3.19 119.26 119.95 2roq h ALA 43 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 2roq h ALA 43 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 43 CO -0.46 0.00 0.16 1.28 0.00 0.00 0.00 179.25 180.23 2roq n LEU 44 N -2.51 4.76 -3.27 0.00 4.77 0.86 -4.76 117.00 116.83 2roq n LEU 44 Ca 0.04 -2.46 -0.20 0.00 -0.03 0.00 0.00 56.01 53.36 2roq n LEU 44 Cb 0.47 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2roq n LEU 44 CO 0.33 0.64 0.20 0.61 -1.33 0.00 0.00 177.39 177.84 2roq n GLY 45 N 0.06 -0.38 3.87 -0.72 0.00 -0.85 -4.96 105.19 102.22 2roq n GLY 45 Ca 0.27 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2roq n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2roq s GLY 46 N -3.49 1.68 0.00 -0.02 0.00 0.10 -4.92 107.32 100.68 2roq s GLY 46 Ca 0.42 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2roq s GLY 46 CO 0.66 -0.26 0.00 1.57 0.00 0.00 0.00 173.10 175.07 2roq n HIS 47 N -3.72 0.00 -0.35 1.90 -0.00 -1.26 -4.54 115.22 107.24 2roq n HIS 47 Ca 0.12 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.41 2roq n HIS 47 Cb 0.60 0.00 0.30 0.00 -0.12 0.00 0.00 29.99 30.77 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq h ALA 48 N 0.00 1.63 0.05 1.57 0.00 -1.94 0.26 119.26 120.83 2roq h ALA 48 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 48 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2roq h ALA 48 CO 0.00 0.04 -0.02 -0.07 0.00 0.00 0.00 179.25 179.19 2roq h LEU 49 N 0.84 -0.06 -0.62 0.00 4.07 -1.95 -2.06 115.31 115.53 2roq h LEU 49 Ca 0.55 -0.47 0.13 0.00 0.08 0.00 0.00 57.88 58.17 2roq h LEU 49 Cb 0.77 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.42 2roq h LEU 49 CO -0.34 0.64 0.05 -0.07 -1.08 0.00 0.00 178.44 177.64 2roq h LEU 50 N -0.96 -0.18 -0.95 1.67 -0.00 -1.84 0.36 115.31 113.41 2roq h LEU 50 Ca -0.01 0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.97 2roq h LEU 50 Cb 0.52 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2roq h LEU 50 CO 0.01 -0.08 -0.22 0.00 -0.00 0.00 0.00 178.44 178.16 2roq h ALA 51 N 1.55 0.98 -0.03 1.53 0.00 -0.62 -2.11 119.26 120.55 2roq h ALA 51 Ca 0.33 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 51 Cb 0.53 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2roq h ALA 51 CO -0.50 0.27 -0.42 1.98 0.00 0.00 0.00 179.25 180.58 2roq h MET 52 N 0.00 0.35 0.00 0.00 1.85 0.28 -0.26 114.93 117.14 2roq h MET 52 Ca -0.00 -0.33 -0.11 0.00 -0.61 0.00 0.00 59.70 58.65 2roq h MET 52 Cb 0.81 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.91 2roq h MET 52 CO 0.03 1.00 -0.52 -0.22 -0.40 0.00 0.00 176.91 176.79 2roq h LYS 53 N -0.18 0.00 0.02 0.39 3.64 -0.55 -2.15 116.57 117.74 2roq h LYS 53 Ca -0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2roq h LYS 53 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2roq h LYS 53 CO 0.09 0.52 -0.01 1.25 -2.27 0.00 0.00 179.45 179.03 2roq h LEU 54 N 0.00 -0.02 -1.00 5.20 6.46 -1.42 -2.08 115.31 122.45 2roq h LEU 54 Ca -0.01 -0.64 0.06 0.00 -0.12 0.00 0.00 57.88 57.18 2roq h LEU 54 Cb 1.02 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 2roq h LEU 54 CO 0.07 0.78 0.65 0.00 -0.62 0.00 0.00 178.44 179.32 2roq h ALA 55 N -0.30 1.38 -0.01 1.25 0.00 -1.11 -0.41 119.26 120.07 2roq h ALA 55 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2roq h ALA 55 Cb 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2roq h ALA 55 CO 0.00 0.46 -0.70 0.00 0.00 0.00 0.00 179.25 179.01 2roq h ALA 56 N 1.45 0.81 -0.24 0.00 0.00 -1.51 -2.17 119.26 117.60 2roq h ALA 56 Ca 0.43 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2roq h ALA 56 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2roq h ALA 56 CO -0.17 0.85 -0.19 0.37 0.00 0.00 0.00 179.25 180.11 2roq h GLN 57 N 0.05 0.55 -0.10 0.00 4.15 -0.53 -2.19 115.11 117.04 2roq h GLN 57 Ca -0.01 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 2roq h GLN 57 Cb 1.25 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 2roq h GLN 57 CO 0.10 0.86 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.72 2roq h LEU 58 N 0.25 0.22 -2.22 -2.39 3.38 -1.14 0.20 115.31 113.62 2roq h LEU 58 Ca 0.04 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2roq h LEU 58 Cb 0.74 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2roq h LEU 58 CO 0.05 0.61 0.06 0.77 0.09 0.00 0.00 178.44 180.02 2roq h SER 59 N -0.17 0.00 0.39 -0.43 4.64 -1.44 0.37 113.55 116.90 2roq h SER 59 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2roq h SER 59 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2roq h SER 59 CO 0.02 0.00 -1.18 0.54 -0.87 0.00 0.00 176.83 175.34 2roq n ARG 60 N -4.15 0.36 0.03 4.77 5.12 -0.82 -1.81 116.66 120.15 2roq n ARG 60 Ca -0.01 -0.02 0.11 0.00 -1.93 0.00 0.00 57.85 56.00 2roq n ARG 60 Cb 0.16 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.84 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2roq n GLN 61 N -2.05 0.37 0.00 5.56 1.13 0.69 -4.11 117.38 118.97 2roq n GLN 61 Ca 0.01 -0.02 0.04 0.00 -1.94 0.00 0.00 57.00 55.09 2roq n GLN 61 Cb 0.46 -1.60 0.02 0.00 0.11 0.00 0.00 30.24 29.23 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 -2.07 0.00 -1.58 5.09 0.24 0.11 -4.98 118.33 115.14 2roq n VAL 62 Ca 0.01 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.69 2roq n VAL 62 Cb 0.47 1.14 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.14 -0.27 -2.45 2.33 0.00 -1.13 -4.99 120.51 114.14 2roq n ALA 63 Ca 0.04 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 2roq n ALA 63 Cb 0.19 -1.64 -0.12 0.00 0.00 0.00 0.00 19.45 17.89 2roq n ALA 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2roq s ARG 64 N -3.53 1.38 -0.79 0.00 3.52 -0.75 -5.02 118.95 113.76 2roq s ARG 64 Ca 0.00 -1.44 -0.19 0.00 -0.13 0.00 0.00 55.73 53.97 2roq s ARG 64 Cb 0.00 -1.61 0.13 0.00 -1.56 0.00 0.00 34.95 31.91 2roq s ARG 64 CO 0.00 0.34 0.95 -0.65 -0.81 0.00 0.00 175.30 175.14 2roq s GLN 65 N -2.62 3.39 0.37 5.12 -1.52 -1.26 -4.19 119.66 118.94 2roq s GLN 65 Ca 0.17 -1.59 -0.25 0.00 -1.95 0.00 0.00 55.36 51.74 2roq s GLN 65 Cb -0.07 -4.58 -0.09 0.00 -0.22 0.00 0.00 33.01 28.04 2roq s GLN 65 CO 0.08 -1.67 1.05 0.54 -0.25 0.00 0.00 175.29 175.05 2roq s VAL 66 N 2.60 3.70 0.55 1.09 0.11 -1.26 -5.04 120.40 122.15 2roq s VAL 66 Ca 0.24 1.39 -0.14 0.00 -2.93 0.00 0.00 61.98 60.54 2roq s VAL 66 Cb -0.12 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 30.91 2roq s VAL 66 CO -0.02 0.09 0.99 0.42 -3.33 0.00 0.00 175.10 173.25 2roq s THR 67 N -1.55 4.63 -0.01 5.04 -4.23 -1.26 -5.01 115.64 113.25 2roq s THR 67 Ca 0.55 1.02 -0.25 0.00 -1.18 0.00 0.00 61.69 61.83 2roq s THR 67 Cb -0.24 -3.79 -0.19 0.00 1.34 0.00 0.00 72.50 69.62 2roq s THR 67 CO 0.30 -0.88 1.29 1.55 -0.54 0.00 0.00 174.62 176.33 2roq h PRO 68 N 0.38 0.08 0.00 3.99 0.13 -1.99 -3.13 132.00 131.46 2roq h PRO 68 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2roq h PRO 68 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2roq h PRO 68 CO 0.62 0.55 0.00 0.78 -0.23 0.00 0.00 178.00 179.71 2roq h GLY 69 N -0.38 0.00 1.58 1.56 0.00 -1.98 0.24 103.07 104.09 2roq h GLY 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2roq h GLY 69 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 2roq n GLN 70 N -2.61 0.32 0.00 4.80 3.00 -1.18 -3.86 117.38 117.85 2roq n GLN 70 Ca 0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2roq n GLN 70 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.02 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 -1.29 0.00 -0.32 5.09 0.31 -0.95 -4.30 118.33 116.87 2roq n VAL 71 Ca 0.11 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.62 2roq n VAL 71 Cb 0.19 -0.27 0.38 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.25 0.00 5.55 2.86 -0.65 -3.19 114.93 119.75 2roq h MET 72 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2roq h MET 72 Cb 0.35 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2roq h MET 72 CO 0.00 0.16 -1.10 1.33 1.06 0.00 0.00 176.91 178.36 2roq n VAL 73 N -5.16 0.10 -2.45 -2.22 0.24 -1.25 -4.83 118.33 102.76 2roq n VAL 73 Ca 0.26 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 62.10 2roq n VAL 73 Cb 0.83 -0.94 0.01 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.76 5.31 1.07 2.33 0.00 -1.24 -4.61 120.51 120.62 2roq n ALA 74 Ca -0.03 -4.39 0.12 0.00 0.00 0.00 0.00 53.44 49.14 2roq n ALA 74 Cb 0.53 -2.89 0.13 0.00 0.00 0.00 0.00 19.45 17.22 2roq n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roq n SER 75 N 3.54 2.35 -4.65 0.00 2.88 -1.20 -3.92 113.62 112.61 2roq n SER 75 Ca 0.38 -1.69 -0.46 0.00 -1.33 0.00 0.00 58.87 55.77 2roq n SER 75 Cb 0.36 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2roq n SER 75 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2roq n THR 76 N 0.59 0.89 -0.30 2.46 -2.24 -1.25 -4.58 114.28 109.85 2roq n THR 76 Ca 0.13 -0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 2roq n THR 76 Cb 0.51 -1.32 0.27 0.00 -2.10 0.00 0.00 70.33 67.69 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2roq h VAL 77 N 2.98 0.23 -0.55 2.28 2.07 -0.18 0.47 116.25 123.53 2roq h VAL 77 Ca -0.45 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2roq h VAL 77 Cb 1.29 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2roq h VAL 77 CO 0.75 0.02 0.26 0.00 0.02 0.00 0.00 177.57 178.62 2roq h ALA 78 N 1.83 0.71 0.55 1.67 0.00 -1.67 -1.44 119.26 120.90 2roq h ALA 78 Ca 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2roq h ALA 78 Cb 1.10 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2roq h ALA 78 CO -0.74 0.28 -0.26 0.87 0.00 0.00 0.00 179.25 179.40 2roq h LYS 79 N 0.75 -0.71 -0.89 0.00 1.79 -0.58 -2.22 116.57 114.71 2roq h LYS 79 Ca 0.19 0.05 0.21 0.00 -2.18 0.00 0.00 60.65 58.91 2roq h LYS 79 Cb 0.13 0.16 -0.12 0.00 -1.58 0.00 0.00 32.23 30.83 2roq h LYS 79 CO -0.02 -0.41 0.40 -0.07 -1.08 0.00 0.00 179.45 178.27 2roq h LEU 80 N -1.07 0.37 -1.49 2.94 3.38 -0.43 0.62 115.31 119.64 2roq h LEU 80 Ca -0.08 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2roq h LEU 80 Cb 0.63 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2roq h LEU 80 CO 0.12 0.04 -0.26 0.00 0.09 0.00 0.00 178.44 178.44 2roq h ALA 81 N 1.68 1.41 0.00 1.53 0.00 -1.23 -1.37 119.26 121.28 2roq h ALA 81 Ca 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2roq h ALA 81 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2roq h ALA 81 CO -0.49 0.32 0.00 1.15 0.00 0.00 0.00 179.25 180.23 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 0.86 -2.22 112.91 113.58 2roq h THR 82 Ca -0.00 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 2roq h THR 82 Cb 0.51 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2roq h THR 82 CO 0.03 0.00 -1.09 -0.38 0.37 0.00 0.00 175.52 174.46 2roq n ILE 83 N -2.36 1.48 -0.03 3.11 5.41 -0.71 -0.57 119.36 125.69 2roq n ILE 83 Ca 0.05 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2roq n ILE 83 Cb 0.40 -2.24 0.31 0.00 -0.71 0.00 0.00 39.64 37.40 2roq n ILE 83 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2roq h ILE 84 N -1.00 1.18 0.00 1.39 1.08 -1.41 -2.17 117.51 116.57 2roq h ILE 84 Ca -0.17 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2roq h ILE 84 Cb 0.96 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2roq h ILE 84 CO -0.11 0.23 -0.79 -0.67 -0.69 0.00 0.00 178.15 176.13 2roq n ASP 85 N -4.33 0.64 -3.17 1.72 2.03 -0.83 -5.01 116.55 107.61 2roq n ASP 85 Ca 0.03 -0.34 -0.05 0.00 0.52 0.00 0.00 54.79 54.94 2roq n ASP 85 Cb 0.19 0.57 0.01 0.00 -0.72 0.00 0.00 41.12 41.17 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ALA 86 N -1.64 -2.52 -3.94 -1.67 0.00 -0.82 -5.00 120.51 104.92 2roq n ALA 86 Ca 0.04 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 2roq n ALA 86 Cb 0.38 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 2roq n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2roq n GLU 87 N -2.17 0.77 -1.96 0.00 -0.58 0.27 -4.99 120.64 111.96 2roq n GLU 87 Ca -0.04 -3.15 -0.42 0.00 -0.42 0.00 0.00 57.16 53.13 2roq n GLU 87 Cb 0.54 0.39 -0.03 0.00 -0.57 0.00 0.00 31.44 31.77 2roq n GLU 87 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2roq s GLU 88 N -4.01 4.21 0.67 3.49 8.01 -1.26 -4.87 118.70 124.94 2roq s GLU 88 Ca 0.25 2.29 -0.11 0.00 0.01 0.00 0.00 54.97 57.41 2roq s GLU 88 Cb -0.02 -3.54 -0.01 0.00 -4.31 0.00 0.00 34.13 26.25 2roq s GLU 88 CO 0.16 -0.70 1.06 0.34 0.01 0.00 0.00 175.26 176.14 2roq s ASP 89 N 2.20 5.74 0.00 -0.19 -1.08 -1.26 -5.00 116.67 117.07 2roq s ASP 89 Ca 0.72 1.31 0.00 0.00 -0.52 0.00 0.00 52.55 54.06 2roq s ASP 89 Cb -0.39 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 2roq s ASP 89 CO 0.31 -1.17 0.00 -1.20 0.52 0.00 0.00 175.17 173.63 2roq n SER 90 N -2.93 3.64 -2.88 -0.34 7.64 -1.26 -5.04 113.62 112.45 2roq n SER 90 Ca 0.07 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.76 2roq n SER 90 Cb 0.55 0.14 0.06 0.00 -1.01 0.00 0.00 64.21 63.96 2roq n SER 90 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 91 N -2.14 -2.27 0.20 0.44 -1.04 -1.26 -4.90 114.28 103.31 2roq n THR 91 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 2roq n THR 91 Cb 0.42 -3.41 0.38 0.00 -1.82 0.00 0.00 70.33 65.91 2roq n THR 91 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2roq h ARG 92 N -2.01 0.00 -5.54 -2.82 9.65 -2.04 -3.42 114.38 108.20 2roq h ARG 92 Ca -0.45 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 57.75 2roq h ARG 92 Cb 1.29 0.00 -0.32 0.00 -1.39 0.00 0.00 29.97 29.55 2roq h ARG 92 CO 0.44 0.33 -0.87 0.50 2.80 0.00 0.00 179.97 183.17 2roq s ARG 93 N -3.69 2.92 0.04 0.20 3.52 -1.26 -5.05 118.95 115.62 2roq s ARG 93 Ca -0.00 -0.87 -0.16 0.00 -0.13 0.00 0.00 55.73 54.56 2roq s ARG 93 Cb 0.11 -2.28 -0.08 0.00 -1.56 0.00 0.00 34.95 31.14 2roq s ARG 93 CO 0.67 0.25 1.26 1.98 -0.81 0.00 0.00 175.30 178.64 2roq h MET 94 N 6.51 -0.42 0.00 5.12 4.05 -1.91 -3.46 114.93 124.82 2roq h MET 94 Ca -0.23 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2roq h MET 94 Cb 1.22 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2roq h MET 94 CO 0.48 -0.28 0.00 0.41 0.23 0.00 0.00 176.91 177.75 2roq n GLY 95 N -1.25 1.57 3.55 1.39 0.00 -1.26 -4.65 105.19 104.54 2roq n GLY 95 Ca -0.05 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2roq n GLY 95 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2roq s PHE 96 N 0.00 1.81 0.07 1.61 5.36 -1.26 -4.58 117.98 120.99 2roq s PHE 96 Ca 0.00 0.58 -0.25 0.00 -0.96 0.00 0.00 56.93 56.30 2roq s PHE 96 Cb 0.00 -4.14 0.08 0.00 -0.34 0.00 0.00 43.02 38.63 2roq s PHE 96 CO 0.00 -2.03 1.16 -1.91 -1.46 0.00 0.00 175.22 170.97 2roq n GLU 97 N 9.04 0.40 0.32 10.12 4.07 -1.26 -5.00 120.64 138.32 2roq n GLU 97 Ca 0.29 -1.09 0.19 0.00 -0.06 0.00 0.00 57.16 56.48 2roq n GLU 97 Cb 0.50 1.61 1.08 0.00 -0.06 0.00 0.00 31.44 34.56 2roq n GLU 97 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2roq h THR 98 N 1.98 0.25 -4.03 6.31 1.35 -1.88 -3.42 112.91 113.48 2roq h THR 98 Ca -0.24 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.14 2roq h THR 98 Cb 1.18 0.99 -0.24 0.00 -1.73 0.00 0.00 68.15 68.35 2roq h THR 98 CO 0.33 0.00 -0.80 -0.63 -0.25 0.00 0.00 175.52 174.17 2roq s ILE 99 N -4.38 1.29 -0.34 6.82 -1.09 -1.26 -4.32 121.20 117.92 2roq s ILE 99 Ca -0.05 -1.17 0.03 0.00 -2.23 0.00 0.00 60.65 57.23 2roq s ILE 99 Cb 0.14 -1.17 0.09 0.00 -1.58 0.00 0.00 42.46 39.94 2roq s ILE 99 CO 0.47 -0.01 0.05 -0.22 -1.23 0.00 0.00 174.94 174.00 2roq s LEU 100 N -1.37 4.62 -0.14 2.97 1.98 -1.26 -4.38 118.68 121.10 2roq s LEU 100 Ca 0.03 -2.00 -0.29 0.00 -2.89 0.00 0.00 54.13 48.97 2roq s LEU 100 Cb -0.09 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 2roq s LEU 100 CO 0.02 -0.37 1.56 -2.16 -1.89 0.00 0.00 176.35 173.51 2roq s PRO 101 N 0.97 4.03 0.08 0.98 0.04 -1.26 -4.21 135.00 135.63 2roq s PRO 101 Ca 0.07 1.87 0.22 0.00 0.04 0.00 0.00 61.00 63.21 2roq s PRO 101 Cb -0.20 -3.96 -0.08 0.00 0.04 0.00 0.00 34.50 30.30 2roq s PRO 101 CO -0.07 -1.00 0.88 1.28 0.04 0.00 0.00 177.00 178.13 2roq n LEU 102 N 7.57 0.53 -3.15 -3.56 4.77 -1.04 -4.86 117.00 117.25 2roq n LEU 102 Ca 0.17 0.11 0.06 0.00 -0.03 0.00 0.00 56.01 56.32 2roq n LEU 102 Cb 0.44 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2roq n LEU 102 CO 0.62 -0.05 0.63 -0.60 -1.33 0.00 0.00 177.39 176.66 2roq s ARG 103 N -3.35 0.11 -0.23 3.23 3.52 -0.76 -4.88 118.95 116.59 2roq s ARG 103 Ca -0.01 0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 55.71 2roq s ARG 103 Cb 0.13 0.09 0.08 0.00 -1.56 0.00 0.00 34.95 33.68 2roq s ARG 103 CO 0.83 -0.15 0.09 -2.00 -0.81 0.00 0.00 175.30 173.26 2roq s GLU 104 N 2.97 0.30 0.00 5.12 2.12 -1.26 -0.07 118.70 127.87 2roq s GLU 104 Ca 0.08 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2roq s GLU 104 Cb -0.06 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2roq s GLU 104 CO -0.14 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 2roq n GLY 105 N 5.18 -0.18 0.00 -1.50 0.00 -1.26 -5.03 105.19 102.40 2roq n GLY 105 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2roq n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2roq n ASN 106 N -1.84 0.00 0.00 1.61 4.05 -1.25 -5.03 115.26 112.79 2roq n ASN 106 Ca 0.00 0.68 0.00 0.00 0.45 0.00 0.00 54.58 55.71 2roq n ASN 106 Cb 0.00 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 40.77 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 107 N -0.39 -2.25 3.65 8.20 0.00 -1.26 -5.03 105.19 108.11 2roq n GLY 107 Ca 0.00 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 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 4.05 -0.13 1.61 0.04 -1.26 -4.79 135.00 134.52 2roq s PRO 108 Ca 0.00 1.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 2roq s PRO 108 Cb 0.00 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 2roq s PRO 108 CO 0.00 -0.98 0.09 -0.08 0.04 0.00 0.00 177.00 176.07 2roq s THR 109 N 4.34 5.07 -0.36 1.26 -1.32 -1.26 -0.86 115.64 122.51 2roq s THR 109 Ca 0.69 0.05 -0.17 0.00 -1.21 0.00 0.00 61.69 61.04 2roq s THR 109 Cb -0.28 -3.22 -0.00 0.00 -1.51 0.00 0.00 72.50 67.49 2roq s THR 109 CO 0.26 0.57 0.47 -0.22 -2.21 0.00 0.00 174.62 173.49 2roq s LEU 110 N -0.56 4.44 -0.54 9.08 2.96 0.04 -4.82 118.68 129.28 2roq s LEU 110 Ca 0.11 -0.17 -0.26 0.00 -0.22 0.00 0.00 54.13 53.60 2roq s LEU 110 Cb -0.12 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.11 2roq s LEU 110 CO 0.02 -0.47 1.01 -0.36 -1.32 0.00 0.00 176.35 175.24 2roq s PHE 111 N 2.28 2.77 -0.23 5.38 0.08 -1.18 -2.02 117.98 125.06 2roq s PHE 111 Ca 0.16 0.22 -0.05 0.00 0.12 0.00 0.00 56.93 57.38 2roq s PHE 111 Cb -0.16 -4.19 -0.02 0.00 -0.57 0.00 0.00 43.02 38.09 2roq s PHE 111 CO 0.13 -1.36 -0.01 0.00 -0.10 0.00 0.00 175.22 173.89 2roq s PHE 113 N 1.48 1.68 0.76 0.00 0.08 0.11 -3.22 117.98 118.88 2roq s PHE 113 Ca 0.06 0.77 -0.16 0.00 0.12 0.00 0.00 56.93 57.72 2roq s PHE 113 Cb -0.14 -4.06 -0.04 0.00 -0.57 0.00 0.00 43.02 38.20 2roq s PHE 113 CO -0.01 -2.65 0.37 -2.39 -0.10 0.00 0.00 175.22 170.45 2roq n HIS 114 N 11.79 -1.35 -0.61 0.36 1.44 -1.23 -2.67 115.22 122.95 2roq n HIS 114 Ca 0.23 0.31 -0.07 0.00 -2.01 0.00 0.00 57.72 56.19 2roq n HIS 114 Cb 0.50 -1.85 0.05 0.00 0.12 0.00 0.00 29.99 28.81 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2roq n PRO 115 N -0.51 -1.49 -1.31 -1.40 -0.04 -1.26 -4.52 135.00 124.48 2roq n PRO 115 Ca 0.09 -0.38 -0.24 0.00 -0.04 0.00 0.00 63.50 62.92 2roq n PRO 115 Cb 0.51 -0.36 -0.02 0.00 -0.04 0.00 0.00 33.50 33.59 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq n ALA 116 N -3.41 6.05 -0.54 0.55 0.00 -1.26 -4.49 120.51 117.41 2roq n ALA 116 Ca -0.04 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.74 2roq n ALA 116 Cb 0.13 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2roq n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roq n SER 117 N 0.62 0.00 0.00 0.00 2.88 -1.26 -3.92 113.62 111.94 2roq n SER 117 Ca 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2roq n SER 117 Cb 0.56 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2roq n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2roq n GLY 118 N 2.45 -1.38 3.50 0.46 0.00 -1.26 -4.49 105.19 104.48 2roq n GLY 118 Ca 0.00 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 2roq n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2roq s PHE 119 N 0.00 2.35 -0.92 1.61 -0.71 -1.26 -3.06 117.98 115.98 2roq s PHE 119 Ca 0.00 -0.37 -0.01 0.00 -1.04 0.00 0.00 56.93 55.50 2roq s PHE 119 Cb 0.00 -1.12 0.34 0.00 -1.21 0.00 0.00 43.02 41.02 2roq s PHE 119 CO 0.00 0.67 1.91 0.00 -1.34 0.00 0.00 175.22 176.46 2roq n ALA 120 N -0.69 6.27 -1.03 1.99 0.00 -1.26 -4.59 120.51 121.21 2roq n ALA 120 Ca -0.05 -4.36 0.04 0.00 0.00 0.00 0.00 53.44 49.07 2roq n ALA 120 Cb 0.61 -2.05 0.30 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.31 1.50 -1.94 0.00 8.01 -1.26 -4.33 117.44 119.11 2roq n TRP 121 Ca 0.50 -0.97 0.03 0.00 -1.31 0.00 0.00 57.50 55.75 2roq n TRP 121 Cb 0.25 -0.45 0.04 0.00 -2.01 0.00 0.00 31.31 29.15 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 -0.24 0.32 -0.67 -0.99 10.64 -1.26 -4.05 117.38 121.13 2roq n GLN 122 Ca 0.28 -1.66 0.08 0.00 -1.83 0.00 0.00 57.00 53.86 2roq n GLN 122 Cb 1.07 -0.62 0.35 0.00 -0.86 0.00 0.00 30.24 30.18 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 -0.19 1.60 -0.18 2.61 3.72 -1.26 -4.48 117.46 119.28 2roq n PHE 123 Ca 0.05 -0.60 0.22 0.00 -0.05 0.00 0.00 57.45 57.07 2roq n PHE 123 Cb 0.80 -0.32 0.60 0.00 -0.94 0.00 0.00 39.48 39.62 2roq n PHE 123 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2roq h SER 124 N 3.85 0.23 0.36 4.37 4.64 -1.85 0.33 113.55 125.47 2roq h SER 124 Ca 0.00 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 2roq h SER 124 Cb 1.55 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 2roq h SER 124 CO 0.30 0.10 -0.61 1.62 -0.87 0.00 0.00 176.83 177.37 2roq h VAL 125 N 0.23 1.39 0.07 0.95 3.04 -1.90 -0.88 116.25 119.16 2roq h VAL 125 Ca 0.41 -1.98 -0.25 0.00 -1.01 0.00 0.00 66.70 63.88 2roq h VAL 125 Cb 1.26 2.00 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 2roq h VAL 125 CO -0.10 0.59 -1.12 0.25 -1.01 0.00 0.00 177.57 176.18 2roq h LEU 126 N 0.18 0.29 0.00 3.16 5.85 -0.80 -2.14 115.31 121.85 2roq h LEU 126 Ca -0.01 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2roq h LEU 126 Cb 1.11 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2roq h LEU 126 CO 0.09 1.21 -0.24 -1.54 -0.34 0.00 0.00 178.44 177.63 2roq n SER 127 N -3.50 0.27 -0.06 1.25 3.41 0.21 -1.77 113.62 113.43 2roq n SER 127 Ca -0.05 0.17 -0.02 0.00 -0.26 0.00 0.00 58.87 58.71 2roq n SER 127 Cb 0.97 -0.16 -0.16 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.55 0.68 -0.04 4.33 0.63 -0.34 -4.26 116.66 116.12 2roq n ARG 128 Ca 0.06 -0.07 -0.18 0.00 -0.92 0.00 0.00 57.85 56.74 2roq n ARG 128 Cb 0.34 -1.53 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 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 -2.57 0.86 0.00 -0.14 4.02 -0.81 -4.68 117.16 113.83 2roq n TYR 129 Ca -0.21 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2roq n TYR 129 Cb 0.92 -1.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2roq n TYR 129 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2roq n LEU 130 N -3.34 0.00 0.00 7.72 7.99 -0.73 -5.02 117.00 123.62 2roq n LEU 130 Ca -0.34 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2roq n LEU 130 Cb 1.04 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.35 2roq n LEU 130 CO 0.39 0.00 0.00 0.47 -1.51 0.00 0.00 177.39 176.74 2roq n ASP 131 N -0.34 0.00 -0.02 -1.43 8.00 -1.26 -5.05 116.55 116.44 2roq n ASP 131 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2roq n ASP 131 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2roq n ASP 131 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2roq h PRO 132 N 0.00 0.09 0.48 -0.24 0.13 -1.93 -3.35 132.00 127.18 2roq h PRO 132 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2roq h PRO 132 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2roq h PRO 132 CO 0.00 0.55 -0.24 1.96 -0.23 0.00 0.00 178.00 180.04 2roq h GLN 133 N -0.37 -0.63 -5.98 0.86 4.20 -1.97 -3.41 115.11 107.80 2roq h GLN 133 Ca 0.01 0.04 -0.70 0.00 0.06 0.00 0.00 58.65 58.06 2roq h GLN 133 Cb 0.53 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2roq h GLN 133 CO 0.01 -0.42 1.39 0.91 -0.67 0.00 0.00 178.83 180.05 2roq n TRP 134 N -3.79 1.46 -1.50 2.96 7.02 -1.26 -3.88 117.44 118.45 2roq n TRP 134 Ca -0.08 0.42 -0.38 0.00 -1.02 0.00 0.00 57.50 56.44 2roq n TRP 134 Cb 0.26 -2.46 0.04 0.00 -2.42 0.00 0.00 31.31 26.73 2roq n TRP 134 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2roq n SER 135 N 9.18 -0.61 -3.67 -0.99 7.64 -0.04 -4.76 113.62 120.37 2roq n SER 135 Ca 0.46 0.76 -0.12 0.00 1.01 0.00 0.00 58.87 60.97 2roq n SER 135 Cb 0.15 -1.22 -0.12 0.00 -1.01 0.00 0.00 64.21 62.00 2roq n SER 135 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2roq s ILE 136 N -1.67 -0.40 -0.08 0.44 -4.36 0.89 -0.78 121.20 115.25 2roq s ILE 136 Ca 0.70 0.24 -0.04 0.00 -0.26 0.00 0.00 60.65 61.30 2roq s ILE 136 Cb -0.44 -0.48 0.04 0.00 1.25 0.00 0.00 42.46 42.83 2roq s ILE 136 CO 0.53 0.10 0.18 0.27 0.24 0.00 0.00 174.94 176.26 2roq s ILE 137 N 2.29 -0.04 0.06 8.37 -4.36 -0.86 -1.83 121.20 124.83 2roq s ILE 137 Ca -0.01 0.16 0.06 0.00 -0.26 0.00 0.00 60.65 60.60 2roq s ILE 137 Cb -0.12 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.27 2roq s ILE 137 CO -0.09 0.06 -0.12 -0.83 0.24 0.00 0.00 174.94 174.20 2roq s GLY 138 N 1.13 1.71 -0.10 6.27 0.00 -1.26 -2.96 107.32 112.11 2roq s GLY 138 Ca -0.09 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2roq s GLY 138 CO -0.06 -1.11 1.16 -1.50 0.00 0.00 0.00 173.10 171.59 2roq s ILE 139 N -1.07 4.40 0.13 0.90 1.10 -1.20 -4.23 121.20 121.23 2roq s ILE 139 Ca 0.18 1.71 -0.15 0.00 -0.51 0.00 0.00 60.65 61.87 2roq s ILE 139 Cb -0.11 -4.10 0.03 0.00 0.15 0.00 0.00 42.46 38.43 2roq s ILE 139 CO 0.09 -0.04 0.39 0.00 -2.11 0.00 0.00 174.94 173.27 2roq s GLN 140 N 2.50 1.07 -0.30 3.50 0.00 -1.26 -3.55 119.66 121.62 2roq s GLN 140 Ca 0.53 -0.75 -0.04 0.00 -0.00 0.00 0.00 55.36 55.10 2roq s GLN 140 Cb -0.22 0.46 0.19 0.00 0.00 0.00 0.00 33.01 33.44 2roq s GLN 140 CO 0.18 -0.41 0.78 0.45 0.00 0.00 0.00 175.29 176.29 2roq s SER 141 N -2.82 -1.06 0.49 12.60 0.15 -1.17 -4.46 113.70 117.43 2roq s SER 141 Ca 0.04 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2roq s SER 141 Cb 0.02 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 2roq s SER 141 CO -0.11 -0.20 0.00 -0.81 1.20 0.00 0.00 173.24 173.32 2roq n PRO 142 N 5.40 0.00 -3.52 5.44 -0.04 -1.25 -4.85 135.00 136.17 2roq n PRO 142 Ca -0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2roq n PRO 142 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 2roq n PRO 142 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2roq s ARG 143 N -1.48 2.92 -0.00 0.54 1.70 -1.26 -4.93 118.95 116.44 2roq s ARG 143 Ca 0.00 -2.27 -0.24 0.00 -0.47 0.00 0.00 55.73 52.75 2roq s ARG 143 Cb 0.00 -4.05 -0.19 0.00 -0.57 0.00 0.00 34.95 30.14 2roq s ARG 143 CO 0.00 -1.23 1.29 -1.00 -1.08 0.00 0.00 175.30 173.28 2roq h PRO 144 N 7.75 0.11 0.00 3.89 0.13 -2.05 -3.38 132.00 138.45 2roq h PRO 144 Ca -0.04 -0.06 -0.29 0.00 -0.87 0.00 0.00 66.00 64.75 2roq h PRO 144 Cb 1.02 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.10 2roq h PRO 144 CO 0.78 0.56 -2.08 -1.71 -0.23 0.00 0.00 178.00 175.33 2roq n ASN 145 N -4.76 1.55 0.00 1.44 5.15 -1.26 -5.12 115.26 112.25 2roq n ASN 145 Ca -0.08 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2roq n ASN 145 Cb 0.28 0.54 0.00 0.00 -0.53 0.00 0.00 39.78 40.08 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 146 N 2.19 -0.26 2.96 8.20 0.00 -1.26 -5.00 105.19 112.03 2roq n GLY 146 Ca -0.28 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 2roq n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2roq n PRO 147 N 0.00 1.54 -0.08 1.61 -0.04 -1.26 -4.37 135.00 132.40 2roq n PRO 147 Ca 0.00 -1.63 -0.18 0.00 -0.04 0.00 0.00 63.50 61.65 2roq n PRO 147 Cb 0.00 -2.71 -0.13 0.00 -0.04 0.00 0.00 33.50 30.62 2roq n PRO 147 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2roq n MET 148 N 6.11 0.69 0.00 0.54 2.81 -1.26 -4.35 117.12 121.66 2roq n MET 148 Ca 0.46 0.18 0.12 0.00 -1.81 0.00 0.00 57.70 56.65 2roq n MET 148 Cb 0.30 -1.59 0.17 0.00 -0.71 0.00 0.00 33.22 31.39 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 -3.30 1.05 0.00 0.03 6.02 -1.26 -4.17 117.38 115.75 2roq n GLN 149 Ca -0.40 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.81 2roq n GLN 149 Cb 1.02 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.79 2roq n GLN 149 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2roq n THR 150 N -0.29 1.91 -0.04 5.09 -2.24 -1.26 0.22 114.28 117.67 2roq n THR 150 Ca 0.11 0.48 -0.07 0.00 -2.27 0.00 0.00 64.05 62.29 2roq n THR 150 Cb 0.42 -1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 2roq n THR 150 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roq n ALA 151 N -1.48 2.34 -0.45 6.98 0.00 -1.26 -4.25 120.51 122.39 2roq n ALA 151 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.22 2roq n ALA 151 Cb 0.00 0.39 0.34 0.00 0.00 0.00 0.00 19.45 20.18 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 -3.18 3.11 -0.65 0.00 0.00 -1.10 -4.72 120.51 113.98 2roq n ALA 152 Ca -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.82 2roq n ALA 152 Cb 0.61 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2roq n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2roq n ASN 153 N 1.01 0.00 -0.29 0.00 3.02 0.60 0.29 115.26 119.89 2roq n ASN 153 Ca 0.24 0.56 0.20 0.00 -0.03 0.00 0.00 54.58 55.55 2roq n ASN 153 Cb 0.86 -0.12 0.38 0.00 -0.61 0.00 0.00 39.78 40.28 2roq n ASN 153 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2roq n LEU 154 N -1.47 0.09 0.28 3.41 4.77 -1.26 0.42 117.00 123.24 2roq n LEU 154 Ca 0.00 1.45 -0.16 0.00 -0.03 0.00 0.00 56.01 57.27 2roq n LEU 154 Cb 0.00 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.39 2roq n LEU 154 CO 0.00 -1.54 0.61 -0.78 -1.33 0.00 0.00 177.39 174.35 2roq h ASP 155 N 0.00 -0.58 0.41 -1.43 1.82 -0.72 -0.81 116.42 115.10 2roq h ASP 155 Ca 0.62 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 57.21 2roq h ASP 155 Cb 1.49 0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.66 2roq h ASP 155 CO -0.74 -0.32 -0.20 -0.33 -1.61 0.00 0.00 179.24 176.04 2roq h GLU 156 N -0.82 -0.54 -1.18 0.28 4.39 0.46 -2.07 114.58 115.09 2roq h GLU 156 Ca -0.07 0.04 0.35 0.00 0.34 0.00 0.00 59.36 60.02 2roq h GLU 156 Cb 0.58 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.24 2roq h GLU 156 CO 0.11 -0.36 0.76 -0.39 -1.16 0.00 0.00 179.01 177.98 2roq h VAL 157 N -0.56 0.31 0.84 3.13 -1.51 -0.85 -0.09 116.25 117.54 2roq h VAL 157 Ca -0.06 -0.08 -0.04 0.00 -1.23 0.00 0.00 66.70 65.29 2roq h VAL 157 Cb 0.43 0.07 0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2roq h VAL 157 CO 0.09 0.04 -0.41 0.00 -1.23 0.00 0.00 177.57 176.06 2roq h GLU 159 N -1.22 0.38 -0.63 0.00 4.39 -0.38 -1.98 114.58 115.13 2roq h GLU 159 Ca -0.12 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.59 2roq h GLU 159 Cb 0.88 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2roq h GLU 159 CO 0.19 0.25 0.38 0.00 -1.16 0.00 0.00 179.01 178.68 2roq h ALA 160 N 1.27 0.82 0.37 3.43 0.00 -1.06 -0.41 119.26 123.69 2roq h ALA 160 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2roq h ALA 160 Cb 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2roq h ALA 160 CO -0.18 0.12 -0.24 1.25 0.00 0.00 0.00 179.25 180.20 2roq h HIS 161 N 0.75 -0.65 -0.63 0.00 6.17 -0.24 -2.09 115.15 118.45 2roq h HIS 161 Ca 0.26 -0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.46 2roq h HIS 161 Cb 0.04 0.23 -0.10 0.00 2.52 0.00 0.00 27.41 30.11 2roq h HIS 161 CO -0.05 -0.35 0.09 -0.07 0.71 0.00 0.00 177.93 178.25 2roq h LEU 162 N -0.58 -0.10 -0.56 0.26 3.38 -1.34 0.39 115.31 116.76 2roq h LEU 162 Ca -0.05 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2roq h LEU 162 Cb 0.47 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 2roq h LEU 162 CO 0.04 -0.05 -0.19 0.00 0.09 0.00 0.00 178.44 178.33 2roq h ALA 163 N 1.54 0.27 0.00 1.53 0.00 -0.95 0.42 119.26 122.07 2roq h ALA 163 Ca 0.34 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2roq h ALA 163 Cb 0.54 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2roq h ALA 163 CO -0.47 -0.50 -0.08 -2.37 0.00 0.00 0.00 179.25 175.84 2roq n THR 164 N -5.42 0.26 -0.05 0.00 5.66 -0.51 -1.92 114.28 112.30 2roq n THR 164 Ca 0.06 -0.13 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 2roq n THR 164 Cb 0.32 -0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 68.56 2roq n THR 164 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2roq h LEU 165 N 0.00 -0.01 -0.30 1.09 5.85 0.37 -2.13 115.31 120.17 2roq h LEU 165 Ca 0.00 -0.58 -0.18 0.00 0.84 0.00 0.00 57.88 57.96 2roq h LEU 165 Cb 0.61 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2roq h LEU 165 CO 0.00 0.77 -0.85 -0.07 -0.34 0.00 0.00 178.44 177.95 2roq h LEU 166 N -0.99 0.00 0.17 2.25 -0.00 -0.64 0.28 115.31 116.38 2roq h LEU 166 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2roq h LEU 166 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2roq h LEU 166 CO 0.00 0.85 -0.08 -0.08 -0.00 0.00 0.00 178.44 179.13 2roq h GLU 167 N 0.00 -0.22 0.03 1.13 4.22 -1.53 -3.27 114.58 114.94 2roq h GLU 167 Ca -0.01 0.01 -0.22 0.00 0.08 0.00 0.00 59.36 59.22 2roq h GLU 167 Cb 1.50 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.82 2roq h GLU 167 CO 0.11 0.18 -0.90 0.37 -2.18 0.00 0.00 179.01 176.60 2roq h GLN 168 N -0.91 0.55 -3.60 1.92 5.75 -1.50 -3.39 115.11 113.93 2roq h GLN 168 Ca -0.02 -0.64 -0.73 0.00 -0.15 0.00 0.00 58.65 57.12 2roq h GLN 168 Cb 0.50 0.19 -0.33 0.00 1.07 0.00 0.00 27.48 28.91 2roq h GLN 168 CO 0.04 1.25 -0.18 -1.14 -2.65 0.00 0.00 178.83 176.14 2roq s GLN 169 N -3.14 2.98 0.00 1.69 2.00 1.00 -4.90 119.66 119.29 2roq s GLN 169 Ca -0.11 -2.64 0.06 0.00 -2.00 0.00 0.00 55.36 50.67 2roq s GLN 169 Cb 0.05 -3.97 0.36 0.00 0.80 0.00 0.00 33.01 30.24 2roq s GLN 169 CO 0.88 -1.22 0.81 -0.35 -0.50 0.00 0.00 175.29 174.91 2roq n PRO 170 N 3.43 0.49 -1.96 1.67 -0.04 -1.23 -3.97 135.00 133.39 2roq n PRO 170 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 2roq n PRO 170 Cb 0.40 -1.19 0.08 0.00 -0.04 0.00 0.00 33.50 32.75 2roq n PRO 170 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2roq n HIS 171 N -0.69 -3.10 0.00 0.54 8.25 -1.26 -5.09 115.22 113.87 2roq n HIS 171 Ca 0.04 -1.22 0.00 0.00 -0.26 0.00 0.00 57.72 56.29 2roq n HIS 171 Cb 0.02 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.62 2roq n HIS 171 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2roq n GLY 172 N -0.38 0.07 3.58 -1.41 0.00 -1.26 -4.88 105.19 100.92 2roq n GLY 172 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.84 3.10 0.32 1.61 0.04 0.11 -4.33 135.00 135.01 2roq s PRO 173 Ca 0.00 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.12 2roq s PRO 173 Cb 0.00 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2roq s PRO 173 CO 0.00 -2.15 0.18 1.52 0.04 0.00 0.00 177.00 176.59 2roq s TYR 174 N 7.50 1.65 -0.17 0.56 -0.85 -1.26 -4.68 117.35 120.09 2roq s TYR 174 Ca 0.72 -1.43 -0.11 0.00 -0.52 0.00 0.00 57.07 55.74 2roq s TYR 174 Cb -0.17 -0.86 -0.05 0.00 0.38 0.00 0.00 41.96 41.26 2roq s TYR 174 CO 0.28 -0.57 0.18 0.71 -1.52 0.00 0.00 175.55 174.64 2roq s TYR 175 N -3.53 3.46 0.32 -3.49 2.02 -1.26 -2.81 117.35 112.06 2roq s TYR 175 Ca 0.35 0.45 0.05 0.00 -0.37 0.00 0.00 57.07 57.55 2roq s TYR 175 Cb 0.04 -2.18 -0.06 0.00 -0.40 0.00 0.00 41.96 39.36 2roq s TYR 175 CO 0.19 0.36 0.01 -0.51 -1.57 0.00 0.00 175.55 174.03 2roq s LEU 176 N 0.13 2.36 -0.30 -1.29 2.01 -0.92 -3.11 118.68 117.56 2roq s LEU 176 Ca 0.12 -1.31 -0.14 0.00 0.01 0.00 0.00 54.13 52.81 2roq s LEU 176 Cb -0.12 -0.52 0.17 0.00 0.01 0.00 0.00 46.19 45.73 2roq s LEU 176 CO 0.01 -0.50 0.97 -0.22 1.01 0.00 0.00 176.35 177.62 2roq s LEU 177 N -3.49 -0.61 0.46 1.79 2.96 -1.13 -0.56 118.68 118.10 2roq s LEU 177 Ca 0.34 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 2roq s LEU 177 Cb 0.07 1.66 -0.04 0.00 0.50 0.00 0.00 46.19 48.38 2roq s LEU 177 CO 0.14 -0.12 0.10 -0.83 -1.32 0.00 0.00 176.35 174.33 2roq s GLY 178 N 2.54 2.61 -0.09 7.98 0.00 -0.39 0.10 107.32 120.06 2roq s GLY 178 Ca -0.01 -1.52 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 2roq s GLY 178 CO -0.17 -2.06 0.29 -0.19 0.00 0.00 0.00 173.10 170.97 2roq s TYR 179 N -2.74 -0.29 0.00 1.90 1.51 -1.09 -3.25 117.35 113.40 2roq s TYR 179 Ca 0.27 0.69 0.00 0.00 -1.01 0.00 0.00 57.07 57.02 2roq s TYR 179 Cb 0.04 0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.99 2roq s TYR 179 CO 0.15 -0.18 0.00 0.43 -1.11 0.00 0.00 175.55 174.84 2roq n SER 180 N 2.69 0.00 -0.06 2.29 7.64 -1.25 -1.69 113.62 123.24 2roq n SER 180 Ca -0.14 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.85 2roq n SER 180 Cb 0.58 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.92 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2roq n LEU 181 N 0.00 0.82 -0.05 -3.43 4.77 -1.26 -4.21 117.00 113.64 2roq n LEU 181 Ca 0.00 -0.23 0.25 0.00 -0.03 0.00 0.00 56.01 56.00 2roq n LEU 181 Cb 0.00 -0.14 0.72 0.00 -2.33 0.00 0.00 43.42 41.66 2roq n LEU 181 CO 0.00 0.19 1.22 1.23 -1.33 0.00 0.00 177.39 178.70 2roq h GLY 182 N 4.98 0.00 0.46 -0.72 0.00 -1.57 -2.03 103.07 104.19 2roq h GLY 182 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2roq h GLY 182 CO 0.00 0.00 -0.30 -1.33 0.00 0.00 0.00 176.54 174.91 2roq h GLY 183 N 0.00 -0.94 1.02 4.60 0.00 -1.85 0.33 103.07 106.23 2roq h GLY 183 Ca 0.32 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 48.00 2roq h GLY 183 CO -0.00 -0.32 0.26 -0.91 0.00 0.00 0.00 176.54 175.57 2roq h THR 184 N -0.72 1.25 -0.25 4.70 1.35 -1.78 -2.09 112.91 115.37 2roq h THR 184 Ca -0.06 -0.79 0.01 0.00 -0.55 0.00 0.00 66.41 65.02 2roq h THR 184 Cb 0.58 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 2roq h THR 184 CO 0.05 0.31 0.13 -0.07 -0.25 0.00 0.00 175.52 175.70 2roq h LEU 185 N 0.99 0.19 -1.34 3.87 -0.00 -1.35 -1.97 115.31 115.70 2roq h LEU 185 Ca 0.23 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2roq h LEU 185 Cb 0.23 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 2roq h LEU 185 CO -0.02 0.15 0.16 0.00 -0.00 0.00 0.00 178.44 178.73 2roq h ALA 186 N 1.12 1.48 0.66 1.53 0.00 -0.17 -2.02 119.26 121.86 2roq h ALA 186 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2roq h ALA 186 Cb 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2roq h ALA 186 CO -0.06 0.39 -0.32 1.96 0.00 0.00 0.00 179.25 181.22 2roq h GLN 187 N 0.60 -0.85 -0.80 0.00 4.20 -0.74 0.28 115.11 117.80 2roq h GLN 187 Ca 0.15 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.04 2roq h GLN 187 Cb 0.14 0.19 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 2roq h GLN 187 CO -0.01 -0.57 0.41 0.78 -0.67 0.00 0.00 178.83 178.77 2roq h GLY 188 N -0.97 1.27 0.87 3.46 0.00 -0.95 -1.81 103.07 104.94 2roq h GLY 188 Ca -0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2roq h GLY 188 CO 0.15 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.45 2roq h ILE 189 N 0.62 1.26 -0.27 2.60 2.04 -1.34 -1.82 117.51 120.61 2roq h ILE 189 Ca 0.42 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.38 2roq h ILE 189 Cb 0.54 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 2roq h ILE 189 CO -0.33 0.31 -0.20 0.00 0.00 0.00 0.00 178.15 177.93 2roq h ALA 190 N 0.82 -0.04 -0.74 1.87 0.00 0.37 -0.78 119.26 120.76 2roq h ALA 190 Ca 0.08 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2roq h ALA 190 Cb 0.46 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2roq h ALA 190 CO 0.02 -0.62 0.26 0.00 0.00 0.00 0.00 179.25 178.91 2roq h ALA 191 N 0.93 1.06 0.08 0.00 0.00 -1.36 -2.10 119.26 117.86 2roq h ALA 191 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2roq h ALA 191 Cb 0.42 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2roq h ALA 191 CO -0.38 0.65 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 2roq h ARG 192 N 1.09 -0.38 -0.25 0.00 2.47 -0.39 -2.06 114.38 114.86 2roq h ARG 192 Ca 0.24 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2roq h ARG 192 Cb 0.26 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2roq h ARG 192 CO -0.01 -0.25 0.16 -0.07 0.56 0.00 0.00 179.97 180.36 2roq h LEU 193 N -0.39 0.29 -1.96 3.04 3.38 -1.08 0.39 115.31 118.97 2roq h LEU 193 Ca 0.04 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.20 2roq h LEU 193 Cb 0.43 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2roq h LEU 193 CO -0.15 0.21 0.57 0.03 0.09 0.00 0.00 178.44 179.19 2roq h ARG 194 N 0.34 0.00 0.00 1.13 2.47 -1.08 0.27 114.38 117.50 2roq h ARG 194 Ca 0.09 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2roq h ARG 194 Cb -0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2roq h ARG 194 CO -0.02 0.00 -1.88 0.00 0.56 0.00 0.00 179.97 178.63 2roq n ALA 195 N -2.57 2.62 0.64 0.04 0.00 -0.68 -4.13 120.51 116.44 2roq n ALA 195 Ca 0.14 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.14 2roq n ALA 195 Cb 0.83 -0.76 0.46 0.00 0.00 0.00 0.00 19.45 19.99 2roq n ALA 195 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 196 N -2.38 0.12 0.00 0.00 0.00 0.13 -4.87 116.66 109.66 2roq n ARG 196 Ca -0.06 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2roq n ARG 196 Cb 0.63 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.41 2roq n ARG 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2roq n GLY 197 N 0.78 1.99 3.97 5.14 0.00 -0.65 -5.05 105.19 111.37 2roq n GLY 197 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.12 2.60 -0.04 1.61 0.41 -0.64 -5.00 118.70 117.52 2roq s GLU 198 Ca 0.00 -0.73 0.02 0.00 -0.41 0.00 0.00 54.97 53.85 2roq s GLU 198 Cb 0.00 -2.49 0.01 0.00 -1.78 0.00 0.00 34.13 29.87 2roq s GLU 198 CO 0.00 -0.67 -0.09 1.14 -0.49 0.00 0.00 175.26 175.14 2roq s GLN 199 N -4.75 1.11 -0.25 1.61 0.00 -1.26 -3.13 119.66 112.99 2roq s GLN 199 Ca 0.56 -0.31 -0.27 0.00 -0.00 0.00 0.00 55.36 55.34 2roq s GLN 199 Cb -0.10 -1.01 0.01 0.00 0.00 0.00 0.00 33.01 31.91 2roq s GLN 199 CO 0.38 0.07 0.96 0.14 0.00 0.00 0.00 175.29 176.85 2roq s VAL 200 N 0.38 4.71 -0.06 3.63 -7.23 -1.26 0.07 120.40 120.64 2roq s VAL 200 Ca -0.07 1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 61.72 2roq s VAL 200 Cb -0.11 -4.25 -0.12 0.00 0.56 0.00 0.00 36.38 32.46 2roq s VAL 200 CO 0.01 -0.19 0.67 0.00 -0.31 0.00 0.00 175.10 175.28 2roq h ALA 201 N 7.66 -0.25 -0.79 1.32 0.00 -1.80 -3.41 119.26 121.98 2roq h ALA 201 Ca -0.21 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.65 2roq h ALA 201 Cb 1.07 0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 2roq h ALA 201 CO 0.95 -0.29 -0.16 0.12 0.00 0.00 0.00 179.25 179.88 2roq s PHE 202 N -3.02 -1.29 -0.14 0.00 2.19 -1.12 -4.54 117.98 110.05 2roq s PHE 202 Ca -0.10 1.33 -0.03 0.00 0.33 0.00 0.00 56.93 58.46 2roq s PHE 202 Cb 0.00 0.44 -0.03 0.00 -1.31 0.00 0.00 43.02 42.12 2roq s PHE 202 CO 0.36 -0.71 -0.03 -0.48 1.83 0.00 0.00 175.22 176.19 2roq s LEU 203 N 2.89 3.34 0.01 6.12 2.34 -1.22 -2.17 118.68 129.99 2roq s LEU 203 Ca 0.14 -0.06 -0.18 0.00 0.06 0.00 0.00 54.13 54.09 2roq s LEU 203 Cb -0.13 -1.79 -0.06 0.00 -0.56 0.00 0.00 46.19 43.65 2roq s LEU 203 CO -0.18 0.22 0.53 -0.83 -1.06 0.00 0.00 176.35 175.02 2roq s GLY 204 N 0.06 2.58 -0.26 -3.48 0.00 0.28 -2.47 107.32 104.03 2roq s GLY 204 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 2roq s GLY 204 CO 0.02 0.49 0.09 1.08 0.00 0.00 0.00 173.10 174.79 2roq s LEU 205 N -0.68 1.26 -0.94 0.66 1.02 -1.18 -1.26 118.68 117.56 2roq s LEU 205 Ca 0.28 -1.22 -0.22 0.00 0.02 0.00 0.00 54.13 52.99 2roq s LEU 205 Cb -0.18 -0.58 0.07 0.00 0.02 0.00 0.00 46.19 45.52 2roq s LEU 205 CO 0.16 -0.39 1.31 -0.76 0.02 0.00 0.00 176.35 176.69 2roq s LEU 206 N 1.88 3.94 0.00 1.79 1.02 -1.20 -2.80 118.68 123.31 2roq s LEU 206 Ca 0.06 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 52.74 2roq s LEU 206 Cb -0.17 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.53 2roq s LEU 206 CO -0.23 -1.42 0.00 -0.90 0.02 0.00 0.00 176.35 173.82 2roq n ASP 207 N 8.23 0.00 -4.71 2.29 5.68 -0.87 -3.75 116.55 123.42 2roq n ASP 207 Ca 0.25 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 54.22 2roq n ASP 207 Cb 0.50 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.60 2roq n ASP 207 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2roq s THR 208 N -2.00 2.47 -0.43 2.12 -1.32 -1.23 -4.08 115.64 111.18 2roq s THR 208 Ca 0.00 0.18 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 2roq s THR 208 Cb 0.00 -2.49 0.20 0.00 -1.51 0.00 0.00 72.50 68.70 2roq s THR 208 CO 0.00 -0.18 0.43 1.87 -2.21 0.00 0.00 174.62 174.53 2roq n TRP 209 N -3.54 -0.36 -1.18 9.09 -0.00 -1.26 -4.96 117.44 115.23 2roq n TRP 209 Ca 0.12 -3.48 -0.29 0.00 -0.00 0.00 0.00 57.50 53.85 2roq n TRP 209 Cb 0.52 -0.03 0.17 0.00 -0.00 0.00 0.00 31.31 31.96 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2roq s PRO 210 N -0.56 0.67 0.00 5.87 0.04 -1.26 -4.92 135.00 134.84 2roq s PRO 210 Ca 0.34 0.61 0.14 0.00 0.04 0.00 0.00 61.00 62.13 2roq s PRO 210 Cb 0.09 -1.76 0.65 0.00 0.04 0.00 0.00 34.50 33.52 2roq s PRO 210 CO -0.16 -2.59 1.44 -0.35 0.04 0.00 0.00 177.00 175.38 2roq n PRO 211 N -4.09 0.06 -3.33 0.56 -0.04 -1.26 -4.67 135.00 122.24 2roq n PRO 211 Ca 0.06 0.22 -0.38 0.00 -0.04 0.00 0.00 63.50 63.36 2roq n PRO 211 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2roq n PRO 211 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2roq s GLU 212 N -2.87 4.25 0.54 0.54 -1.05 -1.26 -4.95 118.70 113.90 2roq s GLU 212 Ca 0.09 0.35 0.31 0.00 -0.15 0.00 0.00 54.97 55.57 2roq s GLU 212 Cb 0.09 -3.50 1.47 0.00 -0.44 0.00 0.00 34.13 31.76 2roq s GLU 212 CO 0.25 0.02 1.90 1.15 0.95 0.00 0.00 175.26 179.53 2roq h THR 213 N 4.92 0.56 -2.09 1.83 2.02 -2.02 -3.41 112.91 114.72 2roq h THR 213 Ca -0.37 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.68 2roq h THR 213 Cb 1.17 0.58 0.06 0.00 -1.74 0.00 0.00 68.15 68.21 2roq h THR 213 CO 0.74 0.00 0.04 0.00 0.37 0.00 0.00 175.52 176.67 2roq n GLN 214 N -4.25 -1.61 -0.17 6.66 3.00 -1.26 -5.07 117.38 114.68 2roq n GLN 214 Ca 0.17 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 2roq n GLN 214 Cb 0.90 -0.50 0.00 0.00 0.00 0.00 0.00 30.24 30.64 2roq n GLN 214 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2roq n ASN 215 N -3.56 0.00 0.01 1.08 5.15 -1.26 -4.89 115.26 111.79 2roq n ASN 215 Ca 0.05 -0.81 -0.21 0.00 -0.60 0.00 0.00 54.58 53.00 2roq n ASN 215 Cb 0.18 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.29 2roq n ASN 215 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 2roq h TRP 216 N -0.64 0.44 -0.00 1.20 0.09 -1.93 -3.36 115.95 111.74 2roq h TRP 216 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 58.89 58.66 2roq h TRP 216 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.16 29.22 2roq h TRP 216 CO 0.00 1.49 -0.66 1.04 0.09 0.00 0.00 178.44 180.40 2roq n GLN 217 N -3.99 0.39 -0.36 0.12 6.02 -1.26 -4.30 117.38 114.00 2roq n GLN 217 Ca -0.23 -0.29 0.35 0.00 -0.01 0.00 0.00 57.00 56.83 2roq n GLN 217 Cb 0.87 -1.49 0.72 0.00 1.02 0.00 0.00 30.24 31.36 2roq n GLN 217 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2roq h GLU 218 N 0.71 0.05 0.04 -1.09 4.22 -1.83 0.32 114.58 117.00 2roq h GLU 218 Ca 0.00 -0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.06 2roq h GLU 218 Cb 0.56 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2roq h GLU 218 CO 0.00 0.03 -2.29 1.17 -2.18 0.00 0.00 179.01 175.75 2roq n LYS 219 N -4.24 0.69 -0.28 1.92 4.81 -1.26 -1.46 118.16 118.35 2roq n LYS 219 Ca 0.28 0.18 0.25 0.00 -0.87 0.00 0.00 58.31 58.14 2roq n LYS 219 Cb 1.28 -1.59 0.58 0.00 0.02 0.00 0.00 35.03 35.32 2roq n LYS 219 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2roq h GLU 220 N 0.02 0.26 0.00 1.64 4.39 -1.24 -3.36 114.58 116.30 2roq h GLU 220 Ca -0.52 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.10 2roq h GLU 220 Cb 1.97 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 30.48 2roq h GLU 220 CO -0.02 0.17 0.25 0.00 -1.16 0.00 0.00 179.01 178.26 2roq n ALA 221 N -2.57 -2.87 -1.18 3.43 0.00 -0.62 -4.92 120.51 111.78 2roq n ALA 221 Ca 0.23 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 2roq n ALA 221 Cb 0.90 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2roq n ALA 221 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2roq n ASN 222 N -0.42 -5.16 0.00 0.00 2.85 -0.53 -1.31 115.26 110.69 2roq n ASN 222 Ca -0.29 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 2roq n ASN 222 Cb 0.63 -3.22 0.00 0.00 1.24 0.00 0.00 39.78 38.43 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 -0.35 0.85 2.83 8.20 0.00 0.93 -4.60 105.19 113.04 2roq n GLY 223 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.26 0.11 0.99 1.43 -0.43 -4.71 118.68 119.34 2roq s LEU 224 Ca 0.00 -2.21 0.04 0.00 -1.03 0.00 0.00 54.13 50.93 2roq s LEU 224 Cb 0.00 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2roq s LEU 224 CO 0.00 -0.34 0.08 -1.81 0.23 0.00 0.00 176.35 174.51 2roq s ASP 225 N 0.85 5.41 0.00 2.29 1.11 -1.26 -4.50 116.67 120.57 2roq s ASP 225 Ca 0.13 -0.09 0.15 0.00 0.18 0.00 0.00 52.55 52.93 2roq s ASP 225 Cb -0.21 -1.41 0.90 0.00 1.07 0.00 0.00 42.92 43.28 2roq s ASP 225 CO -0.11 0.14 1.35 -0.81 1.18 0.00 0.00 175.17 176.93 2roq n PRO 226 N 0.21 0.44 -0.11 8.23 -0.04 -1.26 -2.42 135.00 140.06 2roq n PRO 226 Ca -0.09 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 2roq n PRO 226 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.05 0.72 0.11 0.54 1.02 -1.26 -3.76 120.64 116.97 2roq n GLU 227 Ca 0.11 0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 2roq n GLU 227 Cb 0.06 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.00 1.29 -0.13 2.62 3.04 -1.89 -2.55 116.25 118.63 2roq h VAL 228 Ca -0.55 -2.56 -0.04 0.00 -1.01 0.00 0.00 66.70 62.54 2roq h VAL 228 Cb 2.14 2.85 -0.00 0.00 -2.01 0.00 0.00 31.29 34.27 2roq h VAL 228 CO -0.00 0.77 -0.09 -0.07 -1.01 0.00 0.00 177.57 177.18 2roq h LEU 229 N 0.21 0.29 -0.75 3.16 3.38 -1.72 -2.12 115.31 117.76 2roq h LEU 229 Ca -0.22 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 2roq h LEU 229 Cb 2.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 2roq h LEU 229 CO 0.25 0.67 0.32 0.00 0.09 0.00 0.00 178.44 179.78 2roq h ALA 230 N 0.63 0.98 0.46 1.53 0.00 -1.69 -0.21 119.26 120.96 2roq h ALA 230 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2roq h ALA 230 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2roq h ALA 230 CO 0.02 0.58 -0.22 1.49 0.00 0.00 0.00 179.25 181.12 2roq h GLU 231 N 1.08 -0.59 -0.42 0.00 4.81 -1.44 -2.09 114.58 115.92 2roq h GLU 231 Ca 0.25 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.65 2roq h GLU 231 Cb 0.18 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2roq h GLU 231 CO -0.03 -0.40 0.33 -0.84 -0.73 0.00 0.00 179.01 177.35 2roq h ILE 232 N -0.67 0.67 -0.16 2.32 3.07 -1.42 0.29 117.51 121.62 2roq h ILE 232 Ca -0.06 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.33 2roq h ILE 232 Cb 0.47 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 37.78 2roq h ILE 232 CO 0.10 0.00 0.05 -1.13 -1.05 0.00 0.00 178.15 176.12 2roq h ASN 233 N 0.00 0.23 0.80 2.16 -0.73 -0.85 0.30 115.58 117.49 2roq h ASN 233 Ca 0.20 -0.20 -0.24 0.00 1.87 0.00 0.00 56.30 57.93 2roq h ASN 233 Cb 0.86 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 2roq h ASN 233 CO -0.00 0.37 -1.09 0.03 -0.37 0.00 0.00 177.43 176.37 2roq h ARG 234 N 0.08 0.14 -0.34 6.67 3.08 -0.55 -2.13 114.38 121.33 2roq h ARG 234 Ca 0.05 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 2roq h ARG 234 Cb 0.23 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2roq h ARG 234 CO -0.00 1.09 -0.42 1.49 -1.07 0.00 0.00 179.97 181.06 2roq h GLU 235 N 0.04 0.89 -0.05 0.04 4.57 -0.41 -1.76 114.58 117.90 2roq h GLU 235 Ca -0.07 -0.50 -0.17 0.00 -1.18 0.00 0.00 59.36 57.45 2roq h GLU 235 Cb 1.83 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.46 2roq h GLU 235 CO 0.16 1.14 -0.63 0.00 -1.18 0.00 0.00 179.01 178.50 2roq h ARG 236 N 0.68 0.51 0.00 1.92 2.47 -0.48 -2.05 114.38 117.43 2roq h ARG 236 Ca 0.04 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2roq h ARG 236 Cb 1.01 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2roq h ARG 236 CO 0.10 1.12 0.00 1.05 0.56 0.00 0.00 179.97 182.80 2roq h GLU 237 N 0.07 0.00 0.00 0.04 4.11 -1.42 0.49 114.58 117.87 2roq h GLU 237 Ca -0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 2roq h GLU 237 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2roq h GLU 237 CO 0.13 0.00 -1.44 0.00 0.07 0.00 0.00 179.01 177.77 2roq n ALA 238 N -2.07 2.19 -0.08 1.06 0.00 -0.66 -3.76 120.51 117.18 2roq n ALA 238 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 53.44 52.86 2roq n ALA 238 Cb 0.22 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.74 0.22 -0.19 0.00 -0.00 -0.78 -3.68 117.46 110.29 2roq n PHE 239 Ca -0.08 0.09 -0.01 0.00 -0.00 0.00 0.00 57.45 57.46 2roq n PHE 239 Cb 0.74 -0.54 0.07 0.00 -0.00 0.00 0.00 39.48 39.76 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2roq h LEU 240 N -0.94 -0.41 0.85 -2.13 7.12 -0.28 -2.64 115.31 116.88 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 0.83 0.31 0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2roq h LEU 240 CO 0.00 -0.15 -0.41 0.00 -0.13 0.00 0.00 178.44 177.75 2roq h ALA 241 N 1.56 -1.22 -4.69 1.25 0.00 -1.67 -3.46 119.26 111.03 2roq h ALA 241 Ca 0.29 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2roq h ALA 241 Cb 0.46 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2roq h ALA 241 CO -0.55 -1.14 -0.31 0.00 0.00 0.00 0.00 179.25 177.25 2roq n ALA 242 N -2.63 -0.93 -2.02 0.00 0.00 -1.00 -4.65 120.51 109.29 2roq n ALA 242 Ca -0.14 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 242 Cb 0.45 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2roq n ALA 242 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 243 N -2.99 0.00 -1.55 0.00 -0.06 -1.26 -4.98 117.38 106.54 2roq n GLN 243 Ca -0.06 -0.47 -0.19 0.00 -2.00 0.00 0.00 57.00 54.28 2roq n GLN 243 Cb 0.56 0.12 -0.08 0.00 -4.06 0.00 0.00 30.24 26.77 2roq n GLN 243 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2roq n GLN 244 N 0.02 -1.47 0.00 3.69 0.00 -1.26 -4.58 117.38 113.78 2roq n GLN 244 Ca -0.08 1.15 0.00 0.00 -0.00 0.00 0.00 57.00 58.07 2roq n GLN 244 Cb 0.60 -5.53 0.00 0.00 0.00 0.00 0.00 30.24 25.31 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2roq n GLY 245 N -0.30 2.88 0.74 1.69 0.00 -1.26 -5.13 105.19 103.81 2roq n GLY 245 Ca -0.19 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2roq n GLY 245 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2roq n SER 246 N 0.00 0.00 -0.04 1.61 7.64 -1.26 -5.00 113.62 116.56 2roq n SER 246 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2roq n SER 246 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2roq n SER 246 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2roq h THR 247 N 0.00 0.00 -5.82 0.44 2.02 -1.99 -3.47 112.91 104.09 2roq h THR 247 Ca 0.00 -0.79 -0.43 0.00 0.77 0.00 0.00 66.41 65.96 2roq h THR 247 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 2roq h THR 247 CO 0.00 0.00 -0.65 -1.20 0.37 0.00 0.00 175.52 174.04 2roq n SER 248 N -4.18 -3.95 0.00 4.18 7.64 -1.26 -4.62 113.62 111.44 2roq n SER 248 Ca -0.01 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2roq n SER 248 Cb 0.04 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.01 2roq n SER 248 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 249 N -4.18 0.00 0.08 0.44 -1.04 -1.26 -4.92 114.28 103.40 2roq n THR 249 Ca 0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.98 2roq n THR 249 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2roq h GLU 250 N 0.00 -0.23 -0.04 -2.82 5.08 -1.99 -2.13 114.58 112.45 2roq h GLU 250 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2roq h GLU 250 Cb 0.00 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2roq h GLU 250 CO 0.00 -0.15 -0.39 1.25 -1.00 0.00 0.00 179.01 178.71 2roq h LEU 251 N -0.49 -1.20 -0.27 1.33 6.46 -1.96 -2.01 115.31 117.18 2roq h LEU 251 Ca -0.02 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2roq h LEU 251 Cb 0.18 0.48 -0.08 0.00 -0.73 0.00 0.00 40.66 40.51 2roq h LEU 251 CO 0.04 -0.43 -0.31 -0.26 -0.62 0.00 0.00 178.44 176.86 2roq h PHE 252 N -0.53 -0.86 -1.06 1.25 -1.00 -1.92 0.18 116.94 113.01 2roq h PHE 252 Ca 0.06 0.05 0.29 0.00 2.81 0.00 0.00 57.97 61.18 2roq h PHE 252 Cb 0.62 0.42 -0.06 0.00 3.61 0.00 0.00 35.95 40.54 2roq h PHE 252 CO -0.42 -0.38 0.73 1.15 -1.61 0.00 0.00 178.31 177.78 2roq h THR 253 N -0.31 0.49 0.17 -1.55 2.02 -0.92 0.31 112.91 113.13 2roq h THR 253 Ca 0.14 -0.05 -0.30 0.00 0.77 0.00 0.00 66.41 66.97 2roq h THR 253 Cb 0.53 0.32 0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2roq h THR 253 CO -0.45 0.03 -1.34 0.74 0.37 0.00 0.00 175.52 174.88 2roq h THR 254 N 0.16 1.41 0.22 3.16 2.02 -0.04 -1.80 112.91 118.04 2roq h THR 254 Ca 0.54 -2.94 -0.01 0.00 0.77 0.00 0.00 66.41 64.77 2roq h THR 254 Cb 1.82 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 71.20 2roq h THR 254 CO -0.11 0.87 -0.10 0.40 0.37 0.00 0.00 175.52 176.94 2roq h ILE 255 N 0.10 0.00 -0.38 3.11 1.08 0.16 -1.65 117.51 119.93 2roq h ILE 255 Ca -0.18 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2roq h ILE 255 Cb 2.04 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 2roq h ILE 255 CO 0.23 0.00 0.11 1.05 -0.69 0.00 0.00 178.15 178.85 2roq h GLU 256 N -0.55 0.55 -0.42 2.37 -0.00 -1.00 0.48 114.58 116.01 2roq h GLU 256 Ca -0.03 -0.08 -0.06 0.00 -0.00 0.00 0.00 59.36 59.19 2roq h GLU 256 Cb 0.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 28.86 2roq h GLU 256 CO 0.05 0.50 0.03 0.78 -0.00 0.00 0.00 179.01 180.37 2roq h GLY 257 N 0.75 0.79 0.58 1.06 0.00 -1.42 -0.16 103.07 104.68 2roq h GLY 257 Ca 0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2roq h GLY 257 CO -0.01 0.51 -0.31 3.43 0.00 0.00 0.00 176.54 180.16 2roq h ASN 258 N 0.57 0.32 -0.84 0.19 -0.26 -1.00 -2.10 115.58 112.46 2roq h ASN 258 Ca 0.12 -0.72 0.01 0.00 -0.56 0.00 0.00 56.30 55.15 2roq h ASN 258 Cb 0.44 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.56 2roq h ASN 258 CO 0.02 0.99 0.55 0.22 -1.06 0.00 0.00 177.43 178.15 2roq h TYR 259 N -0.32 1.07 -0.11 1.19 5.03 -0.94 0.27 116.97 123.15 2roq h TYR 259 Ca -0.03 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 2roq h TYR 259 Cb 1.02 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 38.94 2roq h TYR 259 CO 0.15 0.68 -0.14 0.00 -1.32 0.00 0.00 178.16 177.54 2roq h ALA 260 N 1.46 0.17 0.00 1.82 0.00 -1.07 -1.06 119.26 120.58 2roq h ALA 260 Ca 0.31 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2roq h ALA 260 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2roq h ALA 260 CO -0.06 0.05 -0.33 0.22 0.00 0.00 0.00 179.25 179.13 2roq h ASP 261 N -0.12 0.00 0.01 0.00 1.82 -1.10 -1.42 116.42 115.61 2roq h ASP 261 Ca 0.01 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.45 2roq h ASP 261 Cb 0.68 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.71 2roq h ASP 261 CO 0.03 0.33 -0.82 0.00 -1.61 0.00 0.00 179.24 177.17 2roq h ALA 262 N 1.67 0.09 0.00 -0.78 0.00 -0.42 -0.36 119.26 119.47 2roq h ALA 262 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2roq h ALA 262 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 262 CO 0.04 0.51 0.00 1.55 0.00 0.00 0.00 179.25 181.35 2roq n VAL 263 N -4.05 0.47 0.06 0.00 3.14 -0.41 -1.69 118.33 115.86 2roq n VAL 263 Ca -0.11 0.04 0.09 0.00 -2.96 0.00 0.00 64.34 61.40 2roq n VAL 263 Cb 0.78 -0.72 -0.13 0.00 -1.06 0.00 0.00 33.84 32.70 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 -1.72 0.60 0.00 1.45 1.85 -0.55 -4.31 116.66 113.98 2roq n ARG 264 Ca 0.05 -0.14 0.10 0.00 -1.00 0.00 0.00 57.85 56.86 2roq n ARG 264 Cb 0.30 -1.40 -0.08 0.00 -1.05 0.00 0.00 32.46 30.23 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2roq n LEU 265 N -2.04 0.88 0.26 2.89 -0.00 -0.15 -4.22 117.00 114.62 2roq n LEU 265 Ca -0.03 -0.40 0.16 0.00 -0.00 0.00 0.00 56.01 55.74 2roq n LEU 265 Cb 0.43 -0.03 0.85 0.00 -0.00 0.00 0.00 43.42 44.67 2roq n LEU 265 CO 0.36 0.22 1.01 0.17 -0.00 0.00 0.00 177.39 179.15 2roq h LEU 266 N 0.00 0.00 0.00 1.47 8.10 -1.52 0.93 115.31 124.29 2roq h LEU 266 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.71 2roq h LEU 266 Cb 0.53 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.70 2roq h LEU 266 CO 0.00 0.00 -1.83 1.07 -4.11 0.00 0.00 178.44 173.57 2roq n THR 267 N -2.65 1.42 0.08 0.15 5.66 -1.26 -4.24 114.28 113.45 2roq n THR 267 Ca -0.02 -0.78 -0.14 0.00 -3.05 0.00 0.00 64.05 60.06 2roq n THR 267 Cb 0.14 -0.80 -0.14 0.00 -1.55 0.00 0.00 70.33 67.98 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 1.45 -2.19 1.09 2.02 -1.16 -3.46 112.91 110.65 2roq h THR 268 Ca -0.32 -3.07 -0.20 0.00 0.77 0.00 0.00 66.41 63.60 2roq h THR 268 Cb 1.96 2.87 0.11 0.00 -1.74 0.00 0.00 68.15 71.35 2roq h THR 268 CO 0.06 0.88 -0.04 0.00 0.37 0.00 0.00 175.52 176.79 2roq n ALA 269 N -2.53 -2.43 -2.35 6.16 0.00 0.03 -5.07 120.51 114.32 2roq n ALA 269 Ca -0.09 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.34 2roq n ALA 269 Cb 1.01 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 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 -1.76 1.67 0.32 0.00 2.46 -1.26 -5.02 115.29 111.70 2roq s HIS 270 Ca 0.36 -0.79 -0.19 0.00 0.47 0.00 0.00 55.06 54.91 2roq s HIS 270 Cb -0.05 -0.93 0.03 0.00 -0.13 0.00 0.00 32.58 31.50 2roq s HIS 270 CO 0.29 0.12 0.75 -1.12 -2.47 0.00 0.00 174.74 172.32 2roq s SER 271 N -3.33 -0.16 -0.13 9.88 0.01 -1.26 -4.93 113.70 113.79 2roq s SER 271 Ca 0.27 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 2roq s SER 271 Cb 0.04 0.77 0.04 0.00 0.21 0.00 0.00 66.02 67.09 2roq s SER 271 CO 0.08 -1.47 0.31 -0.69 0.41 0.00 0.00 173.24 171.88 2roq s VAL 272 N -3.29 -0.02 0.80 3.43 1.01 -1.26 -4.88 120.40 116.19 2roq s VAL 272 Ca 0.13 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2roq s VAL 272 Cb -0.06 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.94 2roq s VAL 272 CO 0.09 0.03 1.09 -2.16 0.00 0.00 0.00 175.10 174.15 2roq s PRO 273 N 0.94 2.02 0.03 2.72 0.04 -1.26 -2.29 135.00 137.19 2roq s PRO 273 Ca -0.06 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2roq s PRO 273 Cb -0.07 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2roq s PRO 273 CO -0.07 -1.79 -0.06 -0.59 0.04 0.00 0.00 177.00 174.53 2roq s PHE 274 N -2.91 0.55 -0.44 0.56 -0.71 -1.26 -4.51 117.98 109.25 2roq s PHE 274 Ca 0.62 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 56.12 2roq s PHE 274 Cb -0.17 -0.34 0.12 0.00 -1.21 0.00 0.00 43.02 41.42 2roq s PHE 274 CO 0.56 -0.08 0.20 -0.51 -1.34 0.00 0.00 175.22 174.05 2roq s ASP 275 N -1.24 4.09 0.00 1.98 1.11 -1.26 -5.01 116.67 116.35 2roq s ASP 275 Ca -0.08 -2.58 0.00 0.00 0.18 0.00 0.00 52.55 50.07 2roq s ASP 275 Cb -0.08 -1.32 0.00 0.00 1.07 0.00 0.00 42.92 42.59 2roq s ASP 275 CO 0.00 -0.29 0.00 0.61 1.18 0.00 0.00 175.17 176.67 2roq n GLY 276 N 3.65 2.25 2.87 0.21 0.00 -1.26 -4.91 105.19 108.00 2roq n GLY 276 Ca 0.05 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 2.78 1.17 0.19 1.61 1.02 -1.26 -2.89 119.74 122.35 2roq s LYS 277 Ca 0.00 -0.13 -0.23 0.00 0.02 0.00 0.00 55.97 55.63 2roq s LYS 277 Cb 0.00 -1.30 0.06 0.00 -0.52 0.00 0.00 37.83 36.07 2roq s LYS 277 CO 0.00 -0.24 0.63 0.00 -0.92 0.00 0.00 175.35 174.82 2roq s ALA 278 N 1.63 -1.51 0.04 5.17 0.00 -1.23 -3.45 121.76 122.41 2roq s ALA 278 Ca 0.02 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2roq s ALA 278 Cb -0.13 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.82 2roq s ALA 278 CO -0.05 -0.83 0.37 0.99 0.00 0.00 0.00 175.76 176.23 2roq s THR 279 N -3.79 5.13 -0.24 0.00 2.01 -1.03 -3.45 115.64 114.27 2roq s THR 279 Ca 0.03 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.53 2roq s THR 279 Cb -0.02 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.89 2roq s THR 279 CO -0.08 0.38 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.89 2roq s LEU 280 N -1.66 3.07 -0.32 4.42 2.96 -1.17 -3.12 118.68 122.87 2roq s LEU 280 Ca 0.29 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 2roq s LEU 280 Cb -0.14 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2roq s LEU 280 CO 0.16 -0.13 0.21 0.12 -1.32 0.00 0.00 176.35 175.39 2roq s PHE 281 N 1.21 3.22 0.26 5.38 2.19 -1.12 -2.30 117.98 126.82 2roq s PHE 281 Ca -0.03 -0.16 -0.13 0.00 0.33 0.00 0.00 56.93 56.94 2roq s PHE 281 Cb -0.17 -2.42 -0.08 0.00 -1.31 0.00 0.00 43.02 39.03 2roq s PHE 281 CO -0.07 -0.31 0.64 0.54 1.83 0.00 0.00 175.22 177.85 2roq s VAL 282 N 1.72 4.80 -0.88 3.12 0.11 -1.19 -2.06 120.40 126.01 2roq s VAL 282 Ca 0.06 0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 2roq s VAL 282 Cb -0.17 -3.64 0.24 0.00 -1.53 0.00 0.00 36.38 31.28 2roq s VAL 282 CO 0.10 -0.08 0.87 0.00 -3.33 0.00 0.00 175.10 172.66 2roq n ALA 283 N -0.11 4.03 0.32 1.54 0.00 -1.26 -3.94 120.51 121.09 2roq n ALA 283 Ca 0.01 -4.66 0.10 0.00 0.00 0.00 0.00 53.44 48.89 2roq n ALA 283 Cb 0.53 -1.66 0.44 0.00 0.00 0.00 0.00 19.45 18.76 2roq n ALA 283 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2roq n GLU 284 N 1.93 0.13 -0.31 0.00 1.02 -0.54 -1.72 120.64 121.16 2roq n GLU 284 Ca 0.24 0.45 0.23 0.00 -0.02 0.00 0.00 57.16 58.07 2roq n GLU 284 Cb 0.37 -1.80 0.54 0.00 -0.02 0.00 0.00 31.44 30.53 2roq n GLU 284 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2roq h ARG 285 N 0.00 0.34 0.00 3.49 1.12 -1.78 -3.29 114.38 114.26 2roq h ARG 285 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2roq h ARG 285 Cb 0.22 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2roq h ARG 285 CO 0.00 0.22 -0.60 2.41 -3.11 0.00 0.00 179.97 178.90 2roq n THR 286 N -4.55 0.00 -2.34 0.20 -1.04 -1.14 -4.95 114.28 100.46 2roq n THR 286 Ca 0.24 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.83 2roq n THR 286 Cb 0.88 -0.40 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 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 -3.72 4.28 0.23 -4.42 1.02 -0.70 -4.81 118.68 110.57 2roq s LEU 287 Ca 0.00 1.93 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2roq s LEU 287 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 2roq s LEU 287 CO 0.00 -0.68 0.00 1.67 0.02 0.00 0.00 176.35 177.36 2roq n GLN 288 N 5.59 0.00 -1.59 1.70 7.27 -1.26 -4.31 117.38 124.79 2roq n GLN 288 Ca 0.13 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.86 2roq n GLN 288 Cb 0.45 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.16 2roq n GLN 288 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2roq n GLU 289 N -3.23 2.88 -0.03 3.69 -0.58 -1.26 -4.48 120.64 117.63 2roq n GLU 289 Ca 0.00 -3.52 -0.05 0.00 -0.42 0.00 0.00 57.16 53.17 2roq n GLU 289 Cb 0.00 -2.28 -0.02 0.00 -0.57 0.00 0.00 31.44 28.56 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2roq n GLY 290 N -0.80 -0.09 3.59 0.62 0.00 -1.26 -5.07 105.19 102.18 2roq n GLY 290 Ca 0.57 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.12 2.12 -0.37 1.61 -1.94 -1.26 -5.03 119.30 112.31 2roq s MET 291 Ca -0.08 -1.45 -0.00 0.00 -1.71 0.00 0.00 55.69 52.45 2roq s MET 291 Cb 0.03 -2.09 0.27 0.00 2.01 0.00 0.00 34.83 35.05 2roq s MET 291 CO 0.12 0.38 1.15 -1.13 -0.01 0.00 0.00 175.02 175.53 2roq n SER 292 N -0.60 -1.72 -3.68 3.03 3.41 -1.26 -4.97 113.62 107.83 2roq n SER 292 Ca -0.07 -2.19 -0.30 0.00 -0.26 0.00 0.00 58.87 56.05 2roq n SER 292 Cb 0.58 1.01 0.25 0.00 -0.26 0.00 0.00 64.21 65.79 2roq n SER 292 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2roq s PRO 293 N 0.26 -1.46 0.27 4.33 0.04 -1.26 -5.06 135.00 132.12 2roq s PRO 293 Ca 0.28 -0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.12 2roq s PRO 293 Cb 0.21 -1.58 0.06 0.00 0.04 0.00 0.00 34.50 33.24 2roq s PRO 293 CO -0.13 -3.85 0.33 -1.91 0.04 0.00 0.00 177.00 171.48 2roq n GLU 294 N -4.84 -0.71 -2.70 4.56 0.00 -1.26 -5.06 120.64 110.63 2roq n GLU 294 Ca 0.14 -0.51 -0.07 0.00 0.00 0.00 0.00 57.16 56.73 2roq n GLU 294 Cb 0.60 -0.38 0.11 0.00 0.00 0.00 0.00 31.44 31.77 2roq n GLU 294 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2roq n ARG 295 N -1.93 1.21 0.00 5.31 0.63 -1.26 -5.02 116.66 115.60 2roq n ARG 295 Ca 0.04 -1.88 0.00 0.00 -0.92 0.00 0.00 57.85 55.10 2roq n ARG 295 Cb 0.15 -0.09 0.00 0.00 0.45 0.00 0.00 32.46 32.97 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 -0.64 0.01 -2.69 5.13 0.00 -1.26 -5.06 120.51 115.99 2roq n ALA 296 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.19 2roq n ALA 296 Cb 0.85 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.31 2roq n ALA 296 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s TRP 297 N -0.94 -0.12 -0.65 0.00 0.51 -1.26 -5.04 118.94 111.45 2roq s TRP 297 Ca 0.00 0.02 -0.07 0.00 -2.12 0.00 0.00 56.10 53.93 2roq s TRP 297 Cb 0.00 0.02 0.01 0.00 -0.81 0.00 0.00 33.47 32.69 2roq s TRP 297 CO 0.00 -0.08 0.66 0.43 -0.51 0.00 0.00 176.95 177.45 2roq n SER 298 N 3.58 -7.37 -0.03 2.95 7.64 -1.26 -4.95 113.62 114.18 2roq n SER 298 Ca 0.05 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 2roq n SER 298 Cb 0.64 -4.71 -0.09 0.00 -1.01 0.00 0.00 64.21 59.05 2roq n SER 298 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2roq h PRO 299 N 0.88 0.17 -5.07 1.43 0.13 -1.96 -3.47 132.00 124.11 2roq h PRO 299 Ca -0.11 -0.09 -0.44 0.00 -0.87 0.00 0.00 66.00 64.49 2roq h PRO 299 Cb 1.07 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 2roq h PRO 299 CO 0.28 0.61 -0.59 -1.58 -0.23 0.00 0.00 178.00 176.48 2roq s TRP 300 N -4.27 1.79 0.46 1.56 0.52 -1.26 -5.10 118.94 112.63 2roq s TRP 300 Ca -0.15 -1.10 0.00 0.00 0.02 0.00 0.00 56.10 54.87 2roq s TRP 300 Cb 0.03 -1.12 0.00 0.00 -1.15 0.00 0.00 33.47 31.23 2roq s TRP 300 CO 0.71 -0.18 0.00 -0.89 0.02 0.00 0.00 176.95 176.62 2roq n ILE 301 N -0.65 -1.90 0.42 2.03 -0.00 -1.26 -4.75 119.36 113.25 2roq n ILE 301 Ca -0.02 1.03 -0.16 0.00 -0.00 0.00 0.00 62.75 63.59 2roq n ILE 301 Cb 0.66 -1.69 -0.08 0.00 -0.00 0.00 0.00 39.64 38.54 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2roq h ALA 302 N -0.13 -1.28 -1.74 -1.39 0.00 -1.91 -3.46 119.26 109.34 2roq h ALA 302 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.71 2roq h ALA 302 Cb 0.80 0.43 -0.24 0.00 0.00 0.00 0.00 17.79 18.78 2roq h ALA 302 CO 0.01 -1.21 0.24 -1.21 0.00 0.00 0.00 179.25 177.09 2roq s GLU 303 N -5.35 0.55 0.26 0.00 2.02 -1.14 -5.08 118.70 109.95 2roq s GLU 303 Ca -0.16 0.88 -0.21 0.00 0.02 0.00 0.00 54.97 55.51 2roq s GLU 303 Cb 0.02 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.41 2roq s GLU 303 CO 0.47 -0.10 0.69 -0.48 0.02 0.00 0.00 175.26 175.85 2roq s LEU 304 N 1.25 -0.24 -0.42 1.80 0.05 -1.26 -3.47 118.68 116.39 2roq s LEU 304 Ca -0.07 -0.57 0.03 0.00 0.05 0.00 0.00 54.13 53.57 2roq s LEU 304 Cb -0.04 2.63 0.12 0.00 -2.05 0.00 0.00 46.19 46.84 2roq s LEU 304 CO -0.15 -1.29 0.16 -1.81 -0.55 0.00 0.00 176.35 172.71 2roq s ASP 305 N -2.91 4.38 0.24 1.48 1.01 -1.22 -5.01 116.67 114.64 2roq s ASP 305 Ca 0.11 -2.48 -0.27 0.00 0.71 0.00 0.00 52.55 50.62 2roq s ASP 305 Cb -0.05 -1.48 -0.09 0.00 1.01 0.00 0.00 42.92 42.31 2roq s ASP 305 CO 0.05 -0.31 0.87 0.27 0.21 0.00 0.00 175.17 176.26 2roq s ILE 306 N 0.46 4.24 0.19 0.77 -4.36 -1.26 -3.06 121.20 118.18 2roq s ILE 306 Ca 0.14 1.83 0.06 0.00 -0.26 0.00 0.00 60.65 62.42 2roq s ILE 306 Cb -0.22 -4.14 -0.05 0.00 1.25 0.00 0.00 42.46 39.30 2roq s ILE 306 CO -0.06 0.38 -0.10 -0.31 0.24 0.00 0.00 174.94 175.09 2roq s TYR 307 N -1.33 1.53 -0.25 1.37 1.51 -0.97 -4.99 117.35 114.22 2roq s TYR 307 Ca 0.42 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2roq s TYR 307 Cb -0.22 -0.77 0.06 0.00 -0.11 0.00 0.00 41.96 40.92 2roq s TYR 307 CO 0.27 0.19 -0.10 -0.98 -1.11 0.00 0.00 175.55 173.82 2roq s ARG 308 N -3.72 2.17 -0.05 -0.62 3.03 -1.26 -3.19 118.95 115.31 2roq s ARG 308 Ca 0.21 -1.25 -0.13 0.00 2.03 0.00 0.00 55.73 56.59 2roq s ARG 308 Cb 0.02 -2.81 0.02 0.00 -1.03 0.00 0.00 34.95 31.15 2roq s ARG 308 CO 0.05 -0.55 0.30 -1.14 -1.13 0.00 0.00 175.30 172.82 2roq s GLN 309 N 1.17 0.55 -0.85 3.89 0.74 -1.25 -5.03 119.66 118.87 2roq s GLN 309 Ca -0.08 0.01 -0.22 0.00 0.05 0.00 0.00 55.36 55.12 2roq s GLN 309 Cb -0.19 0.25 0.08 0.00 1.10 0.00 0.00 33.01 34.24 2roq s GLN 309 CO -0.06 -0.13 1.20 0.16 -0.55 0.00 0.00 175.29 175.91 2roq s ASP 310 N -0.82 6.40 -0.16 6.67 -4.77 -1.26 -1.47 116.67 121.26 2roq s ASP 310 Ca -0.09 -1.36 -0.09 0.00 -3.30 0.00 0.00 52.55 47.71 2roq s ASP 310 Cb -0.04 -2.48 0.06 0.00 -1.09 0.00 0.00 42.92 39.37 2roq s ASP 310 CO 0.03 -1.40 0.38 0.00 0.70 0.00 0.00 175.17 174.87 2roq s ALA 312 N 1.31 3.33 0.36 0.00 0.00 -1.26 -4.36 121.76 121.15 2roq s ALA 312 Ca -0.09 -0.92 0.13 0.00 0.00 0.00 0.00 51.96 51.08 2roq s ALA 312 Cb -0.08 -2.51 0.95 0.00 0.00 0.00 0.00 23.12 21.48 2roq s ALA 312 CO -0.11 -1.04 1.79 0.45 0.00 0.00 0.00 175.76 176.85 2roq h HIS 313 N -0.34 0.80 0.00 0.00 3.86 -1.97 0.29 115.15 117.79 2roq h HIS 313 Ca -0.44 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 2roq h HIS 313 Cb 1.29 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 2roq h HIS 313 CO 0.38 0.15 -2.00 1.33 0.86 0.00 0.00 177.93 178.65 2roq n VAL 314 N -4.66 0.05 0.49 2.45 0.24 -1.26 -4.17 118.33 111.47 2roq n VAL 314 Ca 0.23 -0.50 0.06 0.00 -2.04 0.00 0.00 64.34 62.09 2roq n VAL 314 Cb 0.72 -0.01 0.20 0.00 -1.47 0.00 0.00 33.84 33.27 2roq n VAL 314 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2roq n ASP 315 N -2.26 2.58 -0.00 -1.34 8.00 -0.33 -3.71 116.55 119.48 2roq n ASP 315 Ca -0.05 -2.11 0.04 0.00 0.71 0.00 0.00 54.79 53.38 2roq n ASP 315 Cb 0.58 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2roq n ILE 316 N 0.66 0.00 0.20 0.53 3.06 0.86 -4.12 119.36 120.55 2roq n ILE 316 Ca 0.15 -0.21 0.11 0.00 -2.50 0.00 0.00 62.75 60.30 2roq n ILE 316 Cb 0.45 0.50 -0.02 0.00 0.54 0.00 0.00 39.64 41.11 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 -1.61 0.38 -0.67 9.51 0.13 -1.24 -4.66 119.36 121.19 2roq n ILE 317 Ca -0.01 -0.46 -0.31 0.00 -1.10 0.00 0.00 62.75 60.87 2roq n ILE 317 Cb 0.18 -0.14 0.17 0.00 -0.84 0.00 0.00 39.64 39.00 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 -2.41 -0.94 0.00 9.51 7.64 -1.25 -4.85 113.62 121.31 2roq n SER 318 Ca -0.00 0.24 0.07 0.00 1.01 0.00 0.00 58.87 60.19 2roq n SER 318 Cb 0.53 -1.32 0.38 0.00 -1.01 0.00 0.00 64.21 62.78 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 -3.49 0.23 0.03 1.43 -0.04 -1.26 -3.51 135.00 128.38 2roq n PRO 319 Ca 0.08 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 2roq n PRO 319 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 2.42 -0.07 1.01 0.55 0.00 -1.94 -2.96 103.07 102.08 2roq h GLY 320 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2roq h GLY 320 CO 0.00 -0.03 0.56 0.00 0.00 0.00 0.00 176.54 177.08 2roq h THR 321 N -0.10 1.22 -0.82 4.70 1.03 -1.86 -1.55 112.91 115.52 2roq h THR 321 Ca -0.01 -0.40 0.23 0.00 -0.01 0.00 0.00 66.41 66.23 2roq h THR 321 Cb 0.05 -0.04 -0.03 0.00 -1.07 0.00 0.00 68.15 67.06 2roq h THR 321 CO 0.01 0.21 0.58 -0.26 -0.01 0.00 0.00 175.52 176.06 2roq h PHE 322 N 1.16 0.03 0.00 0.00 -1.00 -1.68 0.35 116.94 115.81 2roq h PHE 322 Ca 0.31 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.88 2roq h PHE 322 Cb -0.13 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 2roq h PHE 322 CO -0.01 0.01 -1.41 0.93 -1.61 0.00 0.00 178.31 176.22 2roq h GLU 323 N 0.02 0.00 -0.06 1.51 5.08 -1.13 -3.37 114.58 116.64 2roq h GLU 323 Ca 0.39 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.55 2roq h GLU 323 Cb 1.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.79 2roq h GLU 323 CO -0.01 0.44 -0.74 0.87 -1.00 0.00 0.00 179.01 178.57 2roq h LYS 324 N 0.00 0.60 -2.94 2.33 1.57 0.21 -3.35 116.57 114.99 2roq h LYS 324 Ca -0.18 -0.57 -0.80 0.00 -1.87 0.00 0.00 60.65 57.23 2roq h LYS 324 Cb 1.74 0.14 -0.26 0.00 0.08 0.00 0.00 32.23 33.93 2roq h LYS 324 CO 0.07 1.19 0.99 0.44 -0.57 0.00 0.00 179.45 181.56 2roq n ILE 325 N -4.07 5.27 -0.00 1.86 -5.35 0.83 -4.76 119.36 113.14 2roq n ILE 325 Ca -0.09 -5.73 -0.00 0.00 -0.27 0.00 0.00 62.75 56.66 2roq n ILE 325 Cb 0.73 -2.08 -0.00 0.00 -1.74 0.00 0.00 39.64 36.55 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 1.42 -0.52 0.00 3.28 0.00 -1.26 -3.95 105.19 104.16 2roq n GLY 326 Ca 0.30 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.46 0.14 0.02 1.61 -0.04 -1.26 -1.44 135.00 131.57 2roq n PRO 327 Ca -0.00 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 2roq n PRO 327 Cb 0.02 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 2roq n PRO 327 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2roq h ILE 328 N 0.00 0.71 0.03 0.52 -0.00 -1.90 -3.30 117.51 113.58 2roq h ILE 328 Ca 0.00 -2.39 -0.27 0.00 -0.00 0.00 0.00 64.86 62.21 2roq h ILE 328 Cb 0.18 2.58 -0.03 0.00 -0.00 0.00 0.00 36.82 39.55 2roq h ILE 328 CO 0.00 0.89 -1.41 0.16 -0.00 0.00 0.00 178.15 177.79 2roq h ILE 329 N 0.08 1.24 -0.66 2.19 -0.00 -1.64 -3.13 117.51 115.59 2roq h ILE 329 Ca -0.40 -2.99 -0.03 0.00 -0.00 0.00 0.00 64.86 61.45 2roq h ILE 329 Cb 2.05 2.66 -0.03 0.00 -0.00 0.00 0.00 36.82 41.51 2roq h ILE 329 CO 0.11 0.76 0.31 -0.09 -0.00 0.00 0.00 178.15 179.24 2roq h ARG 330 N 0.02 0.96 -0.07 0.16 2.43 -1.43 -2.05 114.38 114.40 2roq h ARG 330 Ca -0.18 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 58.68 2roq h ARG 330 Cb 1.93 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.30 2roq h ARG 330 CO 0.12 0.77 -0.68 0.00 -1.51 0.00 0.00 179.97 178.67 2roq h ALA 331 N 1.14 0.72 -0.26 2.80 0.00 -1.68 -2.13 119.26 119.84 2roq h ALA 331 Ca 0.23 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 331 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2roq h ALA 331 CO -0.03 0.76 0.13 1.15 0.00 0.00 0.00 179.25 181.27 2roq h THR 332 N 0.21 1.14 0.00 0.00 2.02 -1.42 0.26 112.91 115.12 2roq h THR 332 Ca -0.02 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2roq h THR 332 Cb 1.22 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2roq h THR 332 CO 0.11 0.14 -0.07 -0.07 0.37 0.00 0.00 175.52 175.99 2roq h LEU 333 N 0.30 0.00 0.00 2.58 3.38 -1.41 -2.10 115.31 118.06 2roq h LEU 333 Ca 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2roq h LEU 333 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2roq h LEU 333 CO -0.01 0.07 -0.90 0.78 0.09 0.00 0.00 178.44 178.46 2roq h ASN 334 N 0.00 0.00 0.62 -0.43 4.21 -0.92 -1.65 115.58 117.41 2roq h ASN 334 Ca -0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 2roq h ASN 334 Cb 0.85 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.00 2roq h ASN 334 CO 0.01 0.51 -1.53 0.08 -1.29 0.00 0.00 177.43 175.21 2roq h ARG 335 N 0.00 0.00 0.00 0.81 0.11 -0.39 -3.32 114.38 111.60 2roq h ARG 335 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2roq h ARG 335 Cb 1.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.53 2roq h ARG 335 CO 0.05 0.57 -1.07 1.47 0.10 0.00 0.00 179.97 181.10 2roq n LEU 336 N -3.09 0.62 -0.02 0.08 -0.00 -0.80 -4.41 117.00 109.37 2roq n LEU 336 Ca -0.13 0.09 -0.12 0.00 -0.00 0.00 0.00 56.01 55.85 2roq n LEU 336 Cb 1.01 -0.09 -0.08 0.00 -0.00 0.00 0.00 43.42 44.26 2roq n LEU 336 CO 0.45 -0.03 0.50 -0.33 -0.00 0.00 0.00 177.39 177.99 2roq h GLU 337 N 0.00 -0.43 0.00 1.47 5.08 -1.42 -3.47 114.58 115.81 2roq h GLU 337 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2roq h GLU 337 Cb 0.82 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2roq h GLU 337 CO 0.00 -0.29 0.00 1.58 -1.00 0.00 0.00 179.01 179.30 2roq n HIS 338 N -4.85 -3.80 -3.13 4.33 -0.00 -1.26 -5.10 115.22 101.41 2roq n HIS 338 Ca -0.05 0.94 0.03 0.00 -0.00 0.00 0.00 57.72 58.64 2roq n HIS 338 Cb 0.30 2.55 -0.00 0.00 -0.00 0.00 0.00 29.99 32.84 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 -2.00 -1.47 0.07 1.57 2.46 -1.26 -5.09 115.29 109.57 2roq s HIS 339 Ca 0.00 0.59 -0.27 0.00 0.47 0.00 0.00 55.06 55.85 2roq s HIS 339 Cb 0.00 0.26 0.09 0.00 -0.13 0.00 0.00 32.58 32.80 2roq s HIS 339 CO 0.00 -0.92 1.15 -1.58 -2.47 0.00 0.00 174.74 170.92 2roq s HIS 340 N 2.44 -0.03 0.24 3.88 5.04 -1.25 -5.09 115.29 120.52 2roq s HIS 340 Ca 0.15 -0.19 -0.22 0.00 -1.54 0.00 0.00 55.06 53.25 2roq s HIS 340 Cb -0.05 0.61 0.04 0.00 0.04 0.00 0.00 32.58 33.21 2roq s HIS 340 CO -0.18 -0.55 0.82 -3.38 -2.34 0.00 0.00 174.74 169.11 2roq s HIS 341 N -2.52 -0.14 0.22 3.88 -3.43 -1.26 -4.30 115.29 107.75 2roq s HIS 341 Ca 0.18 -0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 2roq s HIS 341 Cb 0.01 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 2roq s HIS 341 CO 0.00 -1.10 0.00 1.58 -2.00 0.00 0.00 174.74 173.22 2roq n HIS 342 N -0.48 -3.41 -0.81 0.38 -0.00 -1.26 -5.06 115.22 104.58 2roq n HIS 342 Ca -0.05 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.43 2roq n HIS 342 Cb 0.60 2.14 0.00 0.00 -0.00 0.00 0.00 29.99 32.72 2roq n HIS 342 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92