#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 3.36 1.01 4.03 1.02 -1.26 -5.13 118.68 121.71 2roq s LEU 2 Ca 0.00 -0.56 -0.13 0.00 0.02 0.00 0.00 54.13 53.46 2roq s LEU 2 Cb 0.00 -1.88 0.20 0.00 0.02 0.00 0.00 46.19 44.53 2roq s LEU 2 CO 0.00 -0.05 1.09 -2.16 0.02 0.00 0.00 176.35 175.25 2roq s PRO 3 N -3.74 0.30 -0.12 1.29 0.04 -1.26 -5.04 135.00 126.48 2roq s PRO 3 Ca 0.33 0.48 -0.09 0.00 0.04 0.00 0.00 61.00 61.76 2roq s PRO 3 Cb -0.06 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2roq s PRO 3 CO 0.22 -2.81 0.18 -1.21 0.04 0.00 0.00 177.00 173.42 2roq s GLU 4 N -4.96 3.64 -0.38 4.56 0.41 -1.26 -5.01 118.70 115.70 2roq s GLU 4 Ca 0.66 -0.06 -0.34 0.00 -0.41 0.00 0.00 54.97 54.82 2roq s GLU 4 Cb -0.19 -3.24 -0.11 0.00 -1.78 0.00 0.00 34.13 28.82 2roq s GLU 4 CO 0.58 0.68 2.24 1.28 -0.49 0.00 0.00 175.26 179.54 2roq n LEU 5 N 2.24 2.14 0.00 1.80 7.99 -1.26 -4.85 117.00 125.06 2roq n LEU 5 Ca -0.18 0.31 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2roq n LEU 5 Cb 0.54 -1.29 0.00 0.00 -0.11 0.00 0.00 43.42 42.56 2roq n LEU 5 CO 0.33 -0.79 0.00 0.29 -1.51 0.00 0.00 177.39 175.71 2roq n LYS 6 N 8.33 0.00 -3.65 3.23 4.76 -1.26 -5.08 118.16 124.49 2roq n LYS 6 Ca 0.41 0.22 -0.01 0.00 -2.87 0.00 0.00 58.31 56.06 2roq n LYS 6 Cb 0.26 -0.66 -0.07 0.00 -1.84 0.00 0.00 35.03 32.73 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2roq s ALA 7 N -3.42 -2.42 -0.32 7.82 0.00 -1.26 -5.14 121.76 117.02 2roq s ALA 7 Ca 0.00 1.84 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 2roq s ALA 7 Cb 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2roq s ALA 7 CO 0.00 -0.21 0.10 1.14 0.00 0.00 0.00 175.76 176.79 2roq s GLN 8 N 0.54 2.91 0.02 0.00 0.00 -1.26 -4.97 119.66 116.90 2roq s GLN 8 Ca -0.00 -0.98 -0.28 0.00 -0.00 0.00 0.00 55.36 54.09 2roq s GLN 8 Cb -0.04 -3.44 0.10 0.00 0.00 0.00 0.00 33.01 29.63 2roq s GLN 8 CO -0.13 -0.54 0.87 0.00 0.00 0.00 0.00 175.29 175.49 2roq s ALA 9 N 1.47 -1.80 -1.25 2.60 0.00 -1.26 -5.02 121.76 116.51 2roq s ALA 9 Ca 0.01 0.92 0.14 0.00 0.00 0.00 0.00 51.96 53.04 2roq s ALA 9 Cb -0.18 0.46 0.69 0.00 0.00 0.00 0.00 23.12 24.09 2roq s ALA 9 CO 0.03 -0.72 1.43 -0.35 0.00 0.00 0.00 175.76 176.15 2roq n PRO 10 N -0.27 0.12 -0.18 0.00 -0.04 -1.26 -2.29 135.00 131.08 2roq n PRO 10 Ca -0.09 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 2roq n PRO 10 Cb 0.62 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.84 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.04 1.03 3.68 0.55 0.00 -1.26 -3.93 105.19 105.23 2roq n GLY 11 Ca 0.05 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.52 2.27 0.09 1.61 1.81 -0.97 -4.95 118.95 117.29 2roq s ARG 12 Ca 0.33 -1.57 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 2roq s ARG 12 Cb 0.18 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.58 2roq s ARG 12 CO 0.25 0.18 0.00 0.00 -0.68 0.00 0.00 175.30 175.05 2roq n ALA 13 N -1.03 0.00 -1.70 2.13 0.00 -1.25 -0.97 120.51 117.69 2roq n ALA 13 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 2roq n ALA 13 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.80 1.52 -0.79 0.00 -0.04 -1.26 -2.96 135.00 128.67 2roq n PRO 14 Ca 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2roq n PRO 14 Cb 0.00 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.05 2roq n PRO 14 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2roq n LYS 15 N 7.81 0.81 -0.10 0.54 3.00 -1.26 -4.95 118.16 124.01 2roq n LYS 15 Ca 0.47 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.88 2roq n LYS 15 Cb 0.44 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.62 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 16 N -3.00 2.43 -2.71 3.14 0.00 -1.26 -4.51 120.51 114.60 2roq n ALA 16 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2roq n ALA 16 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.55 0.12 0.00 0.00 -1.26 -5.01 105.19 101.86 2roq n GLY 17 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2roq n GLY 17 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2roq h SER 18 N 0.00 0.00 -1.25 1.61 0.87 -1.91 -3.34 113.55 109.52 2roq h SER 18 Ca 0.00 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.92 2roq h SER 18 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2roq h SER 18 CO 0.00 0.39 0.98 -0.33 -0.53 0.00 0.00 176.83 177.34 2roq h GLU 19 N 0.00 0.00 -0.02 2.24 3.07 -1.91 0.40 114.58 118.36 2roq h GLU 19 Ca -0.08 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 2roq h GLU 19 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2roq h GLU 19 CO 0.04 0.00 -0.27 1.15 -1.40 0.00 0.00 179.01 178.53 2roq h THR 20 N 0.00 1.51 0.00 1.13 2.02 -1.65 -2.16 112.91 113.75 2roq h THR 20 Ca 0.59 -1.86 -0.06 0.00 0.77 0.00 0.00 66.41 65.85 2roq h THR 20 Cb 2.54 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 71.58 2roq h THR 20 CO -0.01 0.52 -0.30 0.16 0.37 0.00 0.00 175.52 176.26 2roq h ILE 21 N -0.41 0.81 0.17 3.11 3.07 -0.61 -1.40 117.51 122.25 2roq h ILE 21 Ca -0.03 -1.25 -0.01 0.00 1.55 0.00 0.00 64.86 65.12 2roq h ILE 21 Cb 0.98 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2roq h ILE 21 CO 0.05 0.30 -0.08 0.40 -1.05 0.00 0.00 178.15 177.77 2roq h ILE 22 N 0.00 0.50 -0.81 0.16 1.08 -0.62 -2.17 117.51 115.65 2roq h ILE 22 Ca -0.00 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.38 2roq h ILE 22 Cb 0.75 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 2roq h ILE 22 CO 0.04 0.14 0.43 0.00 -0.69 0.00 0.00 178.15 178.08 2roq h ALA 23 N -0.67 1.24 -0.40 1.87 0.00 -1.43 -1.57 119.26 118.31 2roq h ALA 23 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 23 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2roq h ALA 23 CO 0.04 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.97 2roq h ALA 24 N 1.35 0.53 0.00 0.00 0.00 -1.36 -2.12 119.26 117.65 2roq h ALA 24 Ca 0.28 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2roq h ALA 24 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2roq h ALA 24 CO -0.04 0.22 -0.22 0.00 0.00 0.00 0.00 179.25 179.21 2roq h ALA 25 N 0.93 1.33 0.10 0.00 0.00 -1.07 0.67 119.26 121.22 2roq h ALA 25 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2roq h ALA 25 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2roq h ALA 25 CO 0.00 0.28 -0.05 0.74 0.00 0.00 0.00 179.25 180.23 2roq h PHE 26 N 0.00 -0.12 0.00 0.00 0.04 -0.92 -0.56 116.94 115.37 2roq h PHE 26 Ca -0.00 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2roq h PHE 26 Cb 0.49 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2roq h PHE 26 CO 0.00 0.38 -0.33 1.03 -0.60 0.00 0.00 178.31 178.79 2roq h SER 27 N -0.74 0.00 0.20 2.17 0.87 -1.32 0.16 113.55 114.90 2roq h SER 27 Ca -0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.26 2roq h SER 27 Cb 0.56 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2roq h SER 27 CO 0.02 0.33 -1.22 0.28 -0.53 0.00 0.00 176.83 175.71 2roq h SER 28 N 0.00 0.80 0.00 6.23 0.02 -0.90 -0.83 113.55 118.88 2roq h SER 28 Ca -0.00 -0.74 -0.03 0.00 -0.84 0.00 0.00 61.79 60.18 2roq h SER 28 Cb 0.84 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2roq h SER 28 CO 0.04 1.55 -0.18 -0.07 -1.14 0.00 0.00 176.83 177.03 2roq h LEU 29 N 0.25 0.00 0.00 5.07 3.38 -1.01 -3.31 115.31 119.69 2roq h LEU 29 Ca -0.17 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2roq h LEU 29 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2roq h LEU 29 CO 0.23 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.84 2roq n LEU 30 N -4.64 0.00 -3.24 1.67 4.77 0.56 -4.88 117.00 111.24 2roq n LEU 30 Ca -0.10 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.97 2roq n LEU 30 Cb 0.35 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2roq n LEU 30 CO 0.21 -0.08 -0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2roq n GLY 31 N 0.61 -0.51 0.00 -0.72 0.00 -0.37 -4.96 105.19 99.25 2roq n GLY 31 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.93 7.44 -4.61 0.00 2.03 -1.26 -4.47 116.55 114.74 2roq n ASP 33 Ca 0.00 -3.81 -0.43 0.00 0.52 0.00 0.00 54.79 51.07 2roq n ASP 33 Cb 0.00 -0.98 -0.03 0.00 -0.72 0.00 0.00 41.12 39.40 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2roq s VAL 34 N -4.95 3.58 -0.12 5.18 1.01 -1.26 -4.81 120.40 119.03 2roq s VAL 34 Ca 0.59 0.61 0.22 0.00 0.00 0.00 0.00 61.98 63.40 2roq s VAL 34 Cb 0.47 -3.71 0.42 0.00 0.00 0.00 0.00 36.38 33.57 2roq s VAL 34 CO -0.18 -0.40 1.16 1.67 0.00 0.00 0.00 175.10 177.34 2roq n GLN 35 N 8.15 0.76 -3.84 2.72 7.27 -1.26 -4.29 117.38 126.88 2roq n GLN 35 Ca 0.21 -2.44 -0.21 0.00 0.07 0.00 0.00 57.00 54.63 2roq n GLN 35 Cb 0.46 -0.54 -0.04 0.00 2.41 0.00 0.00 30.24 32.53 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 5.20 0.00 1.69 1.01 -1.16 -3.79 116.67 117.07 2roq s ASP 36 Ca 0.27 -0.54 0.17 0.00 0.71 0.00 0.00 52.55 53.16 2roq s ASP 36 Cb 0.33 -0.92 -0.16 0.00 1.01 0.00 0.00 42.92 43.18 2roq s ASP 36 CO -0.10 -0.36 0.76 0.00 0.21 0.00 0.00 175.17 175.68 2roq n ALA 37 N -1.35 4.09 -2.18 5.23 0.00 -0.15 -4.43 120.51 121.72 2roq n ALA 37 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2roq n ALA 37 Cb 0.60 -0.62 0.09 0.00 0.00 0.00 0.00 19.45 19.52 2roq n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2roq n ASP 38 N -1.20 1.85 -4.77 0.00 9.92 -1.26 0.01 116.55 121.11 2roq n ASP 38 Ca 0.04 -2.89 -0.40 0.00 -0.53 0.00 0.00 54.79 51.01 2roq n ASP 38 Cb 0.28 -0.41 -0.02 0.00 -0.64 0.00 0.00 41.12 40.33 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2roq s ALA 39 N -2.15 3.34 -0.27 2.24 0.00 -1.26 -4.71 121.76 118.95 2roq s ALA 39 Ca 0.37 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 2roq s ALA 39 Cb 0.38 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2roq s ALA 39 CO -0.09 -0.59 0.52 0.34 0.00 0.00 0.00 175.76 175.93 2roq s ASP 40 N -0.76 6.42 0.29 0.00 -1.08 -1.26 -3.31 116.67 116.96 2roq s ASP 40 Ca 0.52 0.44 0.02 0.00 -0.52 0.00 0.00 52.55 53.02 2roq s ASP 40 Cb -0.36 -2.28 0.71 0.00 -1.46 0.00 0.00 42.92 39.53 2roq s ASP 40 CO 0.47 -0.32 1.65 0.15 0.52 0.00 0.00 175.17 177.64 2roq h PHE 41 N 8.09 0.35 0.05 -5.34 3.04 -1.93 0.29 116.94 121.49 2roq h PHE 41 Ca -0.29 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.71 2roq h PHE 41 Cb 1.14 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.63 2roq h PHE 41 CO 0.75 -0.21 -0.06 0.74 -2.02 0.00 0.00 178.31 177.52 2roq h PHE 42 N 0.21 -0.16 -0.10 0.41 0.04 -1.90 0.88 116.94 116.32 2roq h PHE 42 Ca 0.55 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.35 2roq h PHE 42 Cb 1.11 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 2roq h PHE 42 CO -0.26 -0.07 0.18 0.00 -0.60 0.00 0.00 178.31 177.56 2roq h ALA 43 N -1.61 1.52 0.00 2.45 0.00 -1.70 0.26 119.26 120.18 2roq h ALA 43 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2roq h ALA 43 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2roq h ALA 43 CO -0.01 -0.24 -0.06 -0.07 0.00 0.00 0.00 179.25 178.88 2roq h LEU 44 N 0.00 0.00 0.00 0.00 3.38 0.35 -3.46 115.31 115.57 2roq h LEU 44 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2roq h LEU 44 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2roq h LEU 44 CO -0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2roq n GLY 45 N 0.45 1.28 3.57 0.83 0.00 0.88 -4.92 105.19 107.28 2roq n GLY 45 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.06 -0.62 3.63 -0.02 0.00 0.18 -4.75 105.19 103.54 2roq n GLY 46 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2roq n GLY 46 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2roq s HIS 47 N -1.46 -0.10 0.28 1.61 2.46 -1.26 -4.71 115.29 112.11 2roq s HIS 47 Ca 0.68 -0.04 0.35 0.00 0.47 0.00 0.00 55.06 56.53 2roq s HIS 47 Cb -0.49 0.56 1.87 0.00 -0.13 0.00 0.00 32.58 34.39 2roq s HIS 47 CO 0.53 -0.39 2.08 0.00 -2.47 0.00 0.00 174.74 174.50 2roq h ALA 48 N 2.00 1.00 0.00 1.58 0.00 -1.98 -0.19 119.26 121.67 2roq h ALA 48 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 2roq h ALA 48 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2roq h ALA 48 CO 0.27 0.00 -2.14 1.28 0.00 0.00 0.00 179.25 178.65 2roq n LEU 49 N -2.77 1.95 0.13 0.00 4.77 -1.26 -3.81 117.00 116.01 2roq n LEU 49 Ca -0.02 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 2roq n LEU 49 Cb 0.09 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 2roq n LEU 49 CO 0.17 0.56 0.81 -0.07 -1.33 0.00 0.00 177.39 177.53 2roq h LEU 50 N -0.51 -0.22 -0.75 2.23 -0.00 -1.82 0.23 115.31 114.46 2roq h LEU 50 Ca -0.50 0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.28 2roq h LEU 50 Cb 1.53 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 42.24 2roq h LEU 50 CO -0.24 -0.16 -0.28 0.00 -0.00 0.00 0.00 178.44 177.77 2roq h ALA 51 N 0.56 0.93 0.10 1.53 0.00 -1.30 -2.17 119.26 118.90 2roq h ALA 51 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2roq h ALA 51 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2roq h ALA 51 CO 0.04 0.62 -0.05 1.98 0.00 0.00 0.00 179.25 181.84 2roq h MET 52 N 0.56 -0.12 -0.08 0.00 1.85 -1.60 0.25 114.93 115.78 2roq h MET 52 Ca 0.07 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.15 2roq h MET 52 Cb 0.76 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 2roq h MET 52 CO 0.06 0.13 -0.02 0.87 -0.40 0.00 0.00 176.91 177.55 2roq h LYS 53 N -0.37 0.11 0.04 0.39 1.57 -0.54 -2.24 116.57 115.52 2roq h LYS 53 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2roq h LYS 53 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2roq h LYS 53 CO 0.02 0.14 -0.02 1.25 -0.57 0.00 0.00 179.45 180.28 2roq h LEU 54 N 0.11 -0.04 -0.65 2.94 6.46 -1.17 -2.16 115.31 120.79 2roq h LEU 54 Ca 0.03 -0.64 0.14 0.00 -0.12 0.00 0.00 57.88 57.28 2roq h LEU 54 Cb 0.12 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 39.95 2roq h LEU 54 CO 0.00 0.72 0.04 0.00 -0.62 0.00 0.00 178.44 178.58 2roq h ALA 55 N -0.15 0.69 0.00 1.25 0.00 -0.35 0.36 119.26 121.07 2roq h ALA 55 Ca -0.01 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 55 Cb 0.68 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2roq h ALA 55 CO 0.01 -0.38 -0.57 0.00 0.00 0.00 0.00 179.25 178.30 2roq h ALA 56 N 1.58 1.03 -0.26 0.00 0.00 -1.52 -2.22 119.26 117.88 2roq h ALA 56 Ca 0.35 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 56 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2roq h ALA 56 CO -0.53 0.72 -0.50 0.37 0.00 0.00 0.00 179.25 179.30 2roq h GLN 57 N 0.00 0.72 -0.07 0.00 4.15 -0.03 -2.21 115.11 117.67 2roq h GLN 57 Ca -0.01 -0.43 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 2roq h GLN 57 Cb 1.03 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2roq h GLN 57 CO 0.07 1.05 -0.27 -0.07 -1.93 0.00 0.00 178.83 177.69 2roq h LEU 58 N 0.56 0.36 -1.55 -2.39 3.38 -0.36 0.08 115.31 115.41 2roq h LEU 58 Ca 0.02 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 2roq h LEU 58 Cb 1.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2roq h LEU 58 CO 0.11 0.93 0.25 0.77 0.09 0.00 0.00 178.44 180.58 2roq h SER 59 N -0.18 0.49 1.29 -0.43 4.64 -1.44 0.29 113.55 118.21 2roq h SER 59 Ca -0.01 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 2roq h SER 59 Cb 0.90 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2roq h SER 59 CO 0.06 0.38 -0.74 0.08 -0.87 0.00 0.00 176.83 175.73 2roq h ARG 60 N 0.57 0.00 0.00 4.77 0.11 -1.39 -0.99 114.38 117.45 2roq h ARG 60 Ca 0.15 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.15 2roq h ARG 60 Cb -0.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 2roq h ARG 60 CO -0.03 0.20 -0.79 1.96 0.10 0.00 0.00 179.97 181.41 2roq h GLN 61 N 0.00 0.00 -0.02 0.08 1.08 0.07 -3.29 115.11 113.03 2roq h GLN 61 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2roq h GLN 61 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2roq h GLN 61 CO 0.03 0.22 -0.29 1.33 -0.95 0.00 0.00 178.83 179.17 2roq n VAL 62 N -2.97 0.00 -1.51 -0.54 0.24 0.92 -4.95 118.33 109.51 2roq n VAL 62 Ca -0.01 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 2roq n VAL 62 Cb 0.68 1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 34.32 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 0.43 -0.24 -3.85 2.33 0.00 -1.02 -4.97 120.51 113.18 2roq n ALA 63 Ca 0.10 0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.76 2roq n ALA 63 Cb 0.49 -1.59 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 2roq n ALA 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 64 N -2.56 1.64 -3.93 0.00 0.63 -0.41 -5.02 116.66 107.01 2roq n ARG 64 Ca -0.15 -0.09 -0.31 0.00 -0.92 0.00 0.00 57.85 56.39 2roq n ARG 64 Cb 0.49 0.03 -0.15 0.00 0.45 0.00 0.00 32.46 33.28 2roq n ARG 64 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2roq s GLN 65 N -2.04 1.37 0.35 -0.14 0.74 -1.26 -4.31 119.66 114.37 2roq s GLN 65 Ca 0.00 -1.43 -0.27 0.00 0.05 0.00 0.00 55.36 53.71 2roq s GLN 65 Cb 0.00 -2.73 -0.09 0.00 1.10 0.00 0.00 33.01 31.29 2roq s GLN 65 CO 0.00 -0.85 1.18 0.54 -0.55 0.00 0.00 175.29 175.61 2roq s VAL 66 N 1.21 3.16 0.20 1.34 0.11 -1.26 -4.81 120.40 120.36 2roq s VAL 66 Ca 0.05 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 2roq s VAL 66 Cb -0.19 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2roq s VAL 66 CO -0.12 0.17 0.00 1.07 -3.33 0.00 0.00 175.10 172.89 2roq n THR 67 N 0.50 0.00 -2.26 5.04 5.66 -1.26 -5.05 114.28 116.91 2roq n THR 67 Ca 0.02 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.66 2roq n THR 67 Cb 0.45 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.22 2roq n THR 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2roq s PRO 68 N -2.00 3.64 0.00 1.09 0.04 -1.26 -3.53 135.00 132.98 2roq s PRO 68 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2roq s PRO 68 Cb 0.00 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2roq s PRO 68 CO 0.00 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2roq n GLY 69 N 0.36 2.91 2.28 0.56 0.00 -1.26 -4.76 105.19 105.28 2roq n GLY 69 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 2roq n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2roq n GLN 70 N 0.00 -2.19 -0.90 1.61 -0.06 -1.23 -3.53 117.38 111.08 2roq n GLN 70 Ca 0.00 1.94 -0.34 0.00 -2.00 0.00 0.00 57.00 56.60 2roq n GLN 70 Cb 0.00 -3.83 0.10 0.00 -4.06 0.00 0.00 30.24 22.45 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2roq n VAL 71 N 0.39 0.24 0.00 1.69 0.31 -1.26 -0.04 118.33 119.66 2roq n VAL 71 Ca 0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2roq n VAL 71 Cb 0.02 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2roq n VAL 71 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2roq n MET 72 N -0.78 0.00 0.00 5.55 2.81 -1.26 -4.33 117.12 119.11 2roq n MET 72 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2roq n MET 72 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 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 0.00 0.00 -0.21 2.03 0.24 -0.87 -4.54 118.33 114.97 2roq n VAL 73 Ca 0.00 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 2roq n VAL 73 Cb 0.00 1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 33.41 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 0.00 -0.61 0.00 2.33 0.00 -0.50 -3.34 119.26 117.14 2roq h ALA 74 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2roq h ALA 74 Cb 0.06 1.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2roq h ALA 74 CO 0.00 -0.89 0.00 0.45 0.00 0.00 0.00 179.25 178.81 2roq n SER 75 N -4.93 0.00 0.00 0.00 2.88 -1.26 -4.40 113.62 105.91 2roq n SER 75 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2roq n SER 75 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 0.00 0.37 2.46 -2.24 -1.26 -4.93 114.28 108.68 2roq n THR 76 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2roq n THR 76 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.00 0.00 -0.46 2.28 2.07 -1.63 0.97 116.25 119.49 2roq h VAL 77 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2roq h VAL 77 Cb 0.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 2roq h VAL 77 CO 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.26 2roq h ALA 78 N -1.06 -0.16 -0.86 1.67 0.00 -0.76 0.19 119.26 118.29 2roq h ALA 78 Ca -0.09 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2roq h ALA 78 Cb 0.94 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 2roq h ALA 78 CO 0.03 -0.72 0.53 0.87 0.00 0.00 0.00 179.25 179.96 2roq h LYS 79 N -0.23 0.92 -1.00 0.00 1.79 -1.80 -1.40 116.57 114.83 2roq h LYS 79 Ca 0.19 -0.06 0.15 0.00 -2.18 0.00 0.00 60.65 58.75 2roq h LYS 79 Cb 0.54 -0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 2roq h LYS 79 CO -0.58 0.61 0.63 1.25 -1.08 0.00 0.00 179.45 180.27 2roq h LEU 80 N 0.94 0.88 -0.34 2.94 7.12 0.12 0.32 115.31 127.30 2roq h LEU 80 Ca 0.38 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.46 2roq h LEU 80 Cb 0.21 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2roq h LEU 80 CO -0.19 0.42 0.00 0.00 -0.13 0.00 0.00 178.44 178.54 2roq h ALA 81 N 1.58 1.00 0.00 1.25 0.00 -0.59 -2.30 119.26 120.20 2roq h ALA 81 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2roq h ALA 81 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2roq h ALA 81 CO -0.30 0.00 -0.63 1.79 0.00 0.00 0.00 179.25 180.11 2roq h THR 82 N 0.00 0.00 0.00 0.00 1.35 0.22 -2.14 112.91 112.34 2roq h THR 82 Ca 0.00 -0.54 -0.36 0.00 -0.55 0.00 0.00 66.41 64.96 2roq h THR 82 Cb 0.84 1.14 -0.07 0.00 -1.73 0.00 0.00 68.15 68.33 2roq h THR 82 CO 0.00 0.00 -2.28 2.30 -0.25 0.00 0.00 175.52 175.29 2roq n ILE 83 N -2.18 1.43 0.02 6.82 -5.35 0.11 -1.82 119.36 118.39 2roq n ILE 83 Ca 0.03 -0.84 0.02 0.00 -0.27 0.00 0.00 62.75 61.69 2roq n ILE 83 Cb 0.45 -0.60 -0.09 0.00 -1.74 0.00 0.00 39.64 37.67 2roq n ILE 83 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2roq n ILE 84 N -2.82 0.99 0.24 7.28 -5.35 -0.88 -4.12 119.36 114.71 2roq n ILE 84 Ca -0.31 -0.67 0.05 0.00 -0.27 0.00 0.00 62.75 61.56 2roq n ILE 84 Cb 1.14 -0.56 0.08 0.00 -1.74 0.00 0.00 39.64 38.55 2roq n ILE 84 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2roq n ASP 85 N -2.77 2.25 -3.84 7.28 -0.08 -0.80 -4.82 116.55 113.77 2roq n ASP 85 Ca -0.10 -1.64 -0.27 0.00 -1.51 0.00 0.00 54.79 51.27 2roq n ASP 85 Cb 0.80 -0.08 0.03 0.00 2.34 0.00 0.00 41.12 44.21 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq n ALA 86 N 0.58 -1.53 0.13 -1.67 0.00 -1.08 -4.87 120.51 112.07 2roq n ALA 86 Ca 0.08 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.64 2roq n ALA 86 Cb 0.32 -3.69 0.02 0.00 0.00 0.00 0.00 19.45 16.11 2roq n ALA 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2roq h GLU 87 N -2.04 0.00 -2.53 0.00 4.81 -1.51 -3.48 114.58 109.83 2roq h GLU 87 Ca -0.59 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.79 2roq h GLU 87 Cb 1.37 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.68 2roq h GLU 87 CO 0.63 0.39 0.41 -2.00 -0.73 0.00 0.00 179.01 177.71 2roq s GLU 88 N -3.00 1.37 1.18 1.92 2.12 -1.14 -5.00 118.70 116.15 2roq s GLU 88 Ca 0.03 -0.76 -0.20 0.00 0.36 0.00 0.00 54.97 54.41 2roq s GLU 88 Cb 0.08 0.47 0.30 0.00 0.26 0.00 0.00 34.13 35.23 2roq s GLU 88 CO 0.75 -0.63 0.85 -0.25 -0.54 0.00 0.00 175.26 175.45 2roq n ASP 89 N -0.47 -2.94 -4.78 -1.70 8.00 -1.26 -4.47 116.55 108.93 2roq n ASP 89 Ca -0.05 -0.92 -0.28 0.00 0.71 0.00 0.00 54.79 54.24 2roq n ASP 89 Cb 0.60 -0.87 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 2roq n ASP 89 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2roq s SER 90 N -3.51 4.33 0.04 -2.24 0.15 -1.26 -4.83 113.70 106.38 2roq s SER 90 Ca 0.60 -1.33 -0.10 0.00 0.70 0.00 0.00 55.95 55.82 2roq s SER 90 Cb -0.08 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2roq s SER 90 CO 0.48 -0.78 0.21 0.42 1.20 0.00 0.00 173.24 174.78 2roq s THR 91 N -2.74 0.10 -0.39 6.45 -4.23 -1.26 -5.05 115.64 108.52 2roq s THR 91 Ca 0.28 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 2roq s THR 91 Cb 0.02 -0.90 0.56 0.00 1.34 0.00 0.00 72.50 73.52 2roq s THR 91 CO 0.16 -0.47 1.68 0.54 -0.54 0.00 0.00 174.62 175.99 2roq n ARG 92 N 0.70 2.18 -0.02 3.99 1.74 -1.26 -4.59 116.66 119.40 2roq n ARG 92 Ca -0.19 -3.20 -0.12 0.00 -0.77 0.00 0.00 57.85 53.57 2roq n ARG 92 Cb 0.59 -2.03 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 2roq n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq h ARG 93 N 1.17 0.67 -5.68 5.56 2.47 -1.92 -3.44 114.38 113.21 2roq h ARG 93 Ca 0.43 -0.45 -0.66 0.00 -1.26 0.00 0.00 59.98 58.04 2roq h ARG 93 Cb 2.02 0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 30.28 2roq h ARG 93 CO 0.81 1.07 -0.56 -1.64 0.56 0.00 0.00 179.97 180.21 2roq s MET 94 N -3.96 3.39 1.60 0.04 -1.94 -1.26 -4.98 119.30 112.19 2roq s MET 94 Ca -0.08 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 2roq s MET 94 Cb 0.11 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.91 2roq s MET 94 CO 0.86 0.62 0.00 0.41 -0.01 0.00 0.00 175.02 176.91 2roq n GLY 95 N 2.43 0.77 2.93 -0.03 0.00 -1.25 -4.61 105.19 105.42 2roq n GLY 95 Ca -0.19 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.86 -3.83 1.61 7.35 -1.26 -4.97 117.46 114.50 2roq n PHE 96 Ca 0.00 0.55 -0.06 0.00 -0.76 0.00 0.00 57.45 57.18 2roq n PHE 96 Cb 0.00 -4.06 -0.01 0.00 0.35 0.00 0.00 39.48 35.76 2roq n PHE 96 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2roq s GLU 97 N -5.67 1.65 0.61 -4.13 2.12 -1.26 -5.01 118.70 107.00 2roq s GLU 97 Ca 0.32 -0.94 0.30 0.00 0.36 0.00 0.00 54.97 55.01 2roq s GLU 97 Cb -0.14 0.54 1.66 0.00 0.26 0.00 0.00 34.13 36.46 2roq s GLU 97 CO 0.40 -0.76 2.03 1.15 -0.54 0.00 0.00 175.26 177.54 2roq h THR 98 N 2.00 0.31 -3.89 -1.70 2.02 -1.93 -3.41 112.91 106.31 2roq h THR 98 Ca -0.22 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.42 2roq h THR 98 Cb 1.24 0.76 -0.21 0.00 -1.74 0.00 0.00 68.15 68.20 2roq h THR 98 CO 0.26 0.00 -0.82 -0.63 0.37 0.00 0.00 175.52 174.70 2roq s ILE 99 N -4.49 1.65 -0.31 3.11 -1.09 -1.26 -3.78 121.20 115.03 2roq s ILE 99 Ca -0.04 -1.54 -0.02 0.00 -2.23 0.00 0.00 60.65 56.82 2roq s ILE 99 Cb 0.14 -1.52 0.10 0.00 -1.58 0.00 0.00 42.46 39.60 2roq s ILE 99 CO 0.48 -0.09 0.11 -0.22 -1.23 0.00 0.00 174.94 173.99 2roq s LEU 100 N -1.93 1.77 -0.02 2.97 1.98 -1.01 -4.56 118.68 117.88 2roq s LEU 100 Ca 0.06 -1.56 -0.30 0.00 -2.89 0.00 0.00 54.13 49.44 2roq s LEU 100 Cb -0.10 -0.72 -0.05 0.00 0.66 0.00 0.00 46.19 45.98 2roq s LEU 100 CO 0.04 -0.42 1.46 -2.16 -1.89 0.00 0.00 176.35 173.38 2roq s PRO 101 N 1.73 4.25 0.09 0.98 0.04 -1.26 -2.08 135.00 138.75 2roq s PRO 101 Ca 0.10 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 2roq s PRO 101 Cb -0.17 -3.67 -0.14 0.00 0.04 0.00 0.00 34.50 30.56 2roq s PRO 101 CO -0.28 -0.65 1.31 -0.07 0.04 0.00 0.00 177.00 177.35 2roq h LEU 102 N 8.84 0.84 -6.00 -3.56 3.38 -1.86 -3.46 115.31 113.49 2roq h LEU 102 Ca -0.38 -0.60 0.29 0.00 0.09 0.00 0.00 57.88 57.29 2roq h LEU 102 Cb 1.17 -0.25 -0.20 0.00 0.09 0.00 0.00 40.66 41.48 2roq h LEU 102 CO 0.92 1.30 0.21 -0.60 0.09 0.00 0.00 178.44 180.36 2roq s ARG 103 N -3.86 0.01 0.33 1.13 3.52 -1.20 -4.75 118.95 114.13 2roq s ARG 103 Ca -0.11 0.02 0.09 0.00 -0.13 0.00 0.00 55.73 55.60 2roq s ARG 103 Cb 0.08 0.01 -0.06 0.00 -1.56 0.00 0.00 34.95 33.42 2roq s ARG 103 CO 0.87 -0.02 -0.10 -1.83 -0.81 0.00 0.00 175.30 173.42 2roq s GLU 104 N 3.00 1.76 0.00 5.12 -1.05 -1.26 -2.92 118.70 123.35 2roq s GLU 104 Ca 0.11 -1.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.03 2roq s GLU 104 Cb -0.04 -1.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.04 2roq s GLU 104 CO -0.14 0.14 0.00 0.41 0.95 0.00 0.00 175.26 176.62 2roq n GLY 105 N -0.75 1.24 0.02 -3.83 0.00 -1.26 -4.99 105.19 95.62 2roq n GLY 105 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 2roq n GLY 105 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2roq h ASN 106 N 0.00 -0.04 0.00 1.61 -1.24 -1.86 -3.50 115.58 110.55 2roq h ASN 106 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2roq h ASN 106 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2roq h ASN 106 CO 0.00 -0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2roq n GLY 107 N 0.82 -1.78 3.66 1.57 0.00 -1.26 -4.97 105.19 103.24 2roq n GLY 107 Ca -0.01 0.61 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 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 4.21 -0.17 1.61 0.04 -1.26 -4.88 135.00 134.55 2roq s PRO 108 Ca 0.00 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2roq s PRO 108 Cb 0.00 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 2roq s PRO 108 CO 0.00 -0.78 0.34 -0.08 0.04 0.00 0.00 177.00 176.53 2roq s THR 109 N 3.69 5.27 0.04 1.26 -1.32 -1.26 -0.92 115.64 122.40 2roq s THR 109 Ca 0.67 0.64 0.04 0.00 -1.21 0.00 0.00 61.69 61.82 2roq s THR 109 Cb -0.30 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2roq s THR 109 CO 0.25 0.35 -0.11 -0.22 -2.21 0.00 0.00 174.62 172.67 2roq s LEU 110 N 0.71 2.20 -0.35 9.08 0.20 0.88 -4.72 118.68 126.68 2roq s LEU 110 Ca 0.18 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.50 2roq s LEU 110 Cb -0.14 -0.42 0.08 0.00 -0.43 0.00 0.00 46.19 45.29 2roq s LEU 110 CO 0.06 -0.06 0.10 -0.36 -0.29 0.00 0.00 176.35 175.80 2roq s PHE 111 N -1.02 3.46 0.10 5.38 0.08 -0.96 -3.39 117.98 121.63 2roq s PHE 111 Ca -0.03 -2.23 0.05 0.00 0.12 0.00 0.00 56.93 54.85 2roq s PHE 111 Cb -0.08 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 2roq s PHE 111 CO 0.01 -0.89 -0.02 0.00 -0.10 0.00 0.00 175.22 174.22 2roq s PHE 113 N -1.31 2.82 0.70 0.00 5.36 -1.18 -3.54 117.98 120.83 2roq s PHE 113 Ca 0.25 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 55.79 2roq s PHE 113 Cb -0.11 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 2roq s PHE 113 CO 0.18 0.08 0.56 -2.39 -1.46 0.00 0.00 175.22 172.18 2roq n HIS 114 N 2.75 -0.69 -0.48 10.12 1.44 -1.26 -4.68 115.22 122.43 2roq n HIS 114 Ca -0.18 0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 2roq n HIS 114 Cb 0.53 -1.93 0.00 0.00 0.12 0.00 0.00 29.99 28.70 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 -0.69 -0.96 0.12 -1.40 -0.04 -1.26 -4.77 135.00 126.00 2roq n PRO 115 Ca 0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2roq n PRO 115 Cb 0.50 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.27 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq h ALA 116 N -2.00 0.92 -0.70 0.55 0.00 -1.93 -3.37 119.26 112.73 2roq h ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2roq h ALA 116 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2roq h ALA 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2roq n SER 117 N -2.42 0.00 0.00 0.00 7.64 -1.26 -4.21 113.62 113.37 2roq n SER 117 Ca 0.05 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.71 2roq n SER 117 Cb 0.46 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2roq n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2roq n GLY 118 N -0.27 0.24 3.58 0.23 0.00 -1.26 -4.64 105.19 103.06 2roq n GLY 118 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.91 -0.63 1.61 0.08 -1.26 -4.75 117.98 115.93 2roq s PHE 119 Ca 0.00 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.06 2roq s PHE 119 Cb 0.00 -1.69 0.42 0.00 -0.57 0.00 0.00 43.02 41.17 2roq s PHE 119 CO 0.00 0.33 1.78 0.00 -0.10 0.00 0.00 175.22 177.22 2roq n ALA 120 N 2.15 6.02 -2.41 5.36 0.00 -1.26 -4.18 120.51 126.18 2roq n ALA 120 Ca -0.18 -3.84 -0.29 0.00 0.00 0.00 0.00 53.44 49.13 2roq n ALA 120 Cb 0.53 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.71 3.37 -1.63 0.00 8.01 -1.26 -4.56 117.44 120.65 2roq n TRP 121 Ca 0.54 -3.03 0.00 0.00 -1.31 0.00 0.00 57.50 53.70 2roq n TRP 121 Cb 0.58 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 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 -0.48 0.00 -0.54 -0.99 10.64 -1.26 -4.19 117.38 120.55 2roq n GLN 122 Ca 0.41 -0.53 0.08 0.00 -1.83 0.00 0.00 57.00 55.13 2roq n GLN 122 Cb 0.60 -0.36 0.30 0.00 -0.86 0.00 0.00 30.24 29.92 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 0.00 1.25 0.16 2.61 3.01 -1.26 -4.39 117.46 118.84 2roq n PHE 123 Ca 0.00 -0.71 0.06 0.00 1.01 0.00 0.00 57.45 57.81 2roq n PHE 123 Cb 0.57 -0.29 0.06 0.00 -0.01 0.00 0.00 39.48 39.81 2roq n PHE 123 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2roq h SER 124 N 2.92 0.00 -0.51 4.37 0.02 -1.90 -3.12 113.55 115.33 2roq h SER 124 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2roq h SER 124 Cb 1.45 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.95 2roq h SER 124 CO 0.25 0.31 0.28 1.62 -1.14 0.00 0.00 176.83 178.15 2roq h VAL 125 N 0.00 1.01 0.01 2.27 3.04 -1.95 0.41 116.25 121.04 2roq h VAL 125 Ca -0.01 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.42 2roq h VAL 125 Cb 1.25 0.40 0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2roq h VAL 125 CO 0.04 0.10 -0.27 0.25 -1.01 0.00 0.00 177.57 176.68 2roq h LEU 126 N 0.56 0.21 -0.95 3.16 6.46 -1.90 -2.19 115.31 120.67 2roq h LEU 126 Ca 0.21 -0.83 0.05 0.00 -0.12 0.00 0.00 57.88 57.20 2roq h LEU 126 Cb 0.07 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 2roq h LEU 126 CO -0.12 1.02 0.61 0.28 -0.62 0.00 0.00 178.44 179.60 2roq h SER 127 N -0.56 0.98 1.35 1.25 0.02 -1.47 0.29 113.55 115.41 2roq h SER 127 Ca -0.04 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2roq h SER 127 Cb 1.07 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2roq h SER 127 CO 0.05 0.64 -0.26 -0.09 -1.14 0.00 0.00 176.83 176.04 2roq h ARG 128 N 1.13 0.00 -0.00 3.45 2.43 -0.24 0.47 114.38 121.62 2roq h ARG 128 Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2roq h ARG 128 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2roq h ARG 128 CO -0.16 0.26 -0.50 0.66 -1.51 0.00 0.00 179.97 178.73 2roq n TYR 129 N -3.25 0.00 -0.01 2.20 4.02 -0.32 -4.08 117.16 115.71 2roq n TYR 129 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2roq n TYR 129 Cb 0.55 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.59 2roq n TYR 129 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2roq n LEU 130 N -1.43 0.00 -3.70 7.72 0.00 0.89 -4.90 117.00 115.58 2roq n LEU 130 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.95 2roq n LEU 130 Cb 0.34 0.06 -0.07 0.00 0.00 0.00 0.00 43.42 43.75 2roq n LEU 130 CO 0.35 0.06 0.10 -1.81 0.00 0.00 0.00 177.39 176.09 2roq s ASP 131 N -3.14 -0.22 -0.02 1.96 1.01 0.16 -5.06 116.67 111.36 2roq s ASP 131 Ca -0.02 -0.08 -0.23 0.00 0.71 0.00 0.00 52.55 52.93 2roq s ASP 131 Cb 0.03 0.40 -0.16 0.00 1.01 0.00 0.00 42.92 44.19 2roq s ASP 131 CO 0.22 -0.64 1.05 1.55 0.21 0.00 0.00 175.17 177.56 2roq h PRO 132 N 3.10 -0.30 0.00 8.23 0.13 -1.82 -3.29 132.00 138.04 2roq h PRO 132 Ca -0.31 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2roq h PRO 132 Cb 1.20 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2roq h PRO 132 CO 0.44 0.07 -0.97 1.04 -0.23 0.00 0.00 178.00 178.35 2roq n GLN 133 N -5.03 3.09 -0.01 0.86 3.00 -1.26 -4.87 117.38 113.17 2roq n GLN 133 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2roq n GLN 133 Cb 0.26 -0.99 -0.00 0.00 0.00 0.00 0.00 30.24 29.51 2roq n GLN 133 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 2roq n TRP 134 N -2.07 -1.16 -3.36 1.08 4.27 -1.26 -4.72 117.44 110.22 2roq n TRP 134 Ca 0.00 0.01 -0.17 0.00 -3.89 0.00 0.00 57.50 53.45 2roq n TRP 134 Cb 0.49 0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 30.37 2roq n TRP 134 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2roq s SER 135 N -3.87 1.13 0.16 -0.67 0.15 -0.09 -3.46 113.70 107.04 2roq s SER 135 Ca 0.00 -1.60 0.07 0.00 0.70 0.00 0.00 55.95 55.12 2roq s SER 135 Cb 0.00 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 2roq s SER 135 CO 0.00 -0.25 -0.16 -0.63 1.20 0.00 0.00 173.24 173.40 2roq s ILE 136 N 1.40 1.64 -0.06 6.45 1.01 -1.15 -0.08 121.20 130.40 2roq s ILE 136 Ca 0.17 -1.91 -0.05 0.00 0.00 0.00 0.00 60.65 58.86 2roq s ILE 136 Cb -0.15 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.55 2roq s ILE 136 CO -0.02 -0.41 0.16 0.27 0.00 0.00 0.00 174.94 174.93 2roq s ILE 137 N -2.28 -0.01 -0.41 2.92 -0.00 -1.22 -2.60 121.20 117.59 2roq s ILE 137 Ca 0.15 0.05 -0.17 0.00 -0.00 0.00 0.00 60.65 60.67 2roq s ILE 137 Cb -0.04 -0.23 0.02 0.00 -0.00 0.00 0.00 42.46 42.20 2roq s ILE 137 CO 0.05 0.02 0.45 -0.83 -0.00 0.00 0.00 174.94 174.64 2roq s GLY 138 N 0.39 1.87 -0.86 6.27 0.00 -0.88 -3.39 107.32 110.71 2roq s GLY 138 Ca -0.03 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 2roq s GLY 138 CO -0.02 1.19 1.06 -0.42 0.00 0.00 0.00 173.10 174.92 2roq s ILE 139 N 2.20 4.68 0.33 0.90 1.01 -1.23 -2.42 121.20 126.68 2roq s ILE 139 Ca 0.13 -1.34 -0.13 0.00 0.00 0.00 0.00 60.65 59.31 2roq s ILE 139 Cb -0.17 -4.74 0.03 0.00 0.01 0.00 0.00 42.46 37.59 2roq s ILE 139 CO 0.14 -1.47 0.66 0.00 0.00 0.00 0.00 174.94 174.27 2roq s GLN 140 N 2.88 1.97 0.07 2.79 0.00 -1.25 -4.59 119.66 121.53 2roq s GLN 140 Ca 0.29 -1.40 0.06 0.00 -0.00 0.00 0.00 55.36 54.32 2roq s GLN 140 Cb -0.08 0.56 -0.03 0.00 0.00 0.00 0.00 33.01 33.46 2roq s GLN 140 CO -0.05 -0.88 -0.17 -1.12 0.00 0.00 0.00 175.29 173.07 2roq s SER 141 N -3.07 2.03 1.20 12.60 0.01 -1.26 -4.61 113.70 120.60 2roq s SER 141 Ca 0.19 -0.58 -0.17 0.00 1.31 0.00 0.00 55.95 56.70 2roq s SER 141 Cb -0.04 -0.11 0.25 0.00 0.21 0.00 0.00 66.02 66.33 2roq s SER 141 CO 0.12 0.02 0.89 -0.81 0.41 0.00 0.00 173.24 173.88 2roq n PRO 142 N 1.46 -2.76 -3.88 12.44 -0.04 -1.26 -4.98 135.00 135.98 2roq n PRO 142 Ca -0.19 -1.43 -0.30 0.00 -0.04 0.00 0.00 63.50 61.54 2roq n PRO 142 Cb 0.54 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 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 -5.02 1.47 0.01 0.54 1.04 -1.26 -4.98 118.95 110.75 2roq s ARG 143 Ca 0.58 -2.02 -0.23 0.00 -1.04 0.00 0.00 55.73 53.02 2roq s ARG 143 Cb -0.06 -2.85 -0.17 0.00 -2.04 0.00 0.00 34.95 29.83 2roq s ARG 143 CO 0.44 -1.05 1.31 -1.00 -0.04 0.00 0.00 175.30 174.96 2roq h PRO 144 N 7.12 0.19 0.00 3.89 0.13 -2.02 -3.38 132.00 137.93 2roq h PRO 144 Ca -0.06 -0.10 -0.16 0.00 -0.87 0.00 0.00 66.00 64.81 2roq h PRO 144 Cb 0.96 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 2roq h PRO 144 CO 0.56 0.62 -1.61 -1.71 -0.23 0.00 0.00 178.00 175.62 2roq n ASN 145 N -4.70 2.75 0.00 1.44 5.15 -1.26 -5.09 115.26 113.55 2roq n ASN 145 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2roq n ASN 145 Cb 0.31 0.77 0.00 0.00 -0.53 0.00 0.00 39.78 40.33 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 2.40 0.70 2.84 8.20 0.00 -1.26 -4.79 105.19 113.29 2roq n GLY 146 Ca -0.14 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 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 1.66 -0.11 1.61 -0.04 -1.26 -4.34 135.00 132.51 2roq n PRO 147 Ca 0.00 -1.51 -0.19 0.00 -0.04 0.00 0.00 63.50 61.76 2roq n PRO 147 Cb 0.00 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 30.81 2roq n PRO 147 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2roq n MET 148 N 5.38 0.55 0.00 0.54 1.56 -1.26 -4.57 117.12 119.32 2roq n MET 148 Ca 0.43 0.30 0.11 0.00 -0.27 0.00 0.00 57.70 58.27 2roq n MET 148 Cb 0.23 -1.51 0.12 0.00 2.15 0.00 0.00 33.22 34.21 2roq n MET 148 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 2roq n GLN 149 N -4.38 0.52 0.30 2.12 -0.06 -1.26 -4.18 117.38 110.44 2roq n GLN 149 Ca -0.34 -0.38 0.16 0.00 -2.00 0.00 0.00 57.00 54.44 2roq n GLN 149 Cb 0.68 -1.49 0.84 0.00 -4.06 0.00 0.00 30.24 26.21 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2roq h THR 150 N 0.93 0.00 -0.07 1.69 1.35 -1.83 0.57 112.91 115.54 2roq h THR 150 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2roq h THR 150 Cb 0.57 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2roq h THR 150 CO 0.00 0.00 -0.11 0.00 -0.25 0.00 0.00 175.52 175.16 2roq h ALA 151 N 1.53 0.11 -0.54 6.62 0.00 -1.86 -3.27 119.26 121.85 2roq h ALA 151 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2roq h ALA 151 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2roq h ALA 151 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2roq n ALA 152 N -2.41 2.32 0.18 0.00 0.00 -0.41 -4.40 120.51 115.78 2roq n ALA 152 Ca -0.07 -1.19 0.03 0.00 0.00 0.00 0.00 53.44 52.20 2roq n ALA 152 Cb 0.35 -0.74 0.32 0.00 0.00 0.00 0.00 19.45 19.38 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 3.48 0.00 -0.71 0.00 7.08 0.04 -3.18 115.58 122.29 2roq h ASN 153 Ca 0.00 0.00 0.15 0.00 -3.08 0.00 0.00 56.30 53.37 2roq h ASN 153 Cb 0.89 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.99 2roq h ASN 153 CO 0.00 0.43 -0.15 -0.07 -2.08 0.00 0.00 177.43 175.56 2roq h LEU 154 N 0.00 -0.61 -0.81 6.14 3.38 -1.77 0.64 115.31 122.28 2roq h LEU 154 Ca -0.00 0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2roq h LEU 154 Cb 0.83 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2roq h LEU 154 CO 0.06 -0.23 -0.52 0.44 0.09 0.00 0.00 178.44 178.28 2roq h ASP 155 N 0.01 0.20 0.36 -0.43 5.19 -1.90 -1.98 116.42 117.87 2roq h ASP 155 Ca 0.35 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 2roq h ASP 155 Cb 0.55 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2roq h ASP 155 CO -0.72 0.69 -0.17 -0.33 -3.12 0.00 0.00 179.24 175.59 2roq h GLU 156 N 0.14 -0.46 -0.08 3.56 4.39 -0.38 -2.11 114.58 119.64 2roq h GLU 156 Ca 0.00 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.76 2roq h GLU 156 Cb 0.97 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2roq h GLU 156 CO 0.08 -0.31 0.12 -0.39 -1.16 0.00 0.00 179.01 177.35 2roq h VAL 157 N -0.78 0.34 0.21 3.13 -1.51 -0.04 -1.84 116.25 115.76 2roq h VAL 157 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 2roq h VAL 157 Cb 0.37 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2roq h VAL 157 CO 0.08 0.00 -0.10 0.00 -1.23 0.00 0.00 177.57 176.32 2roq h GLU 159 N -0.86 -0.17 -0.51 0.00 4.39 -0.88 -1.69 114.58 114.85 2roq h GLU 159 Ca -0.03 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.75 2roq h GLU 159 Cb 0.51 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 2roq h GLU 159 CO 0.05 -0.12 0.20 0.00 -1.16 0.00 0.00 179.01 177.98 2roq h ALA 160 N 0.72 0.64 0.10 3.43 0.00 -1.47 0.26 119.26 122.93 2roq h ALA 160 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2roq h ALA 160 Cb 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2roq h ALA 160 CO -0.00 -0.19 -0.20 1.25 0.00 0.00 0.00 179.25 180.11 2roq h HIS 161 N 0.39 -0.52 -0.11 0.00 -0.00 -1.09 -2.08 115.15 111.74 2roq h HIS 161 Ca 0.24 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.62 2roq h HIS 161 Cb 0.24 0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.87 2roq h HIS 161 CO -0.15 -0.29 0.05 -0.07 -0.00 0.00 0.00 177.93 177.48 2roq h LEU 162 N -0.37 0.14 -0.76 0.26 -0.00 -0.93 -2.09 115.31 111.55 2roq h LEU 162 Ca 0.03 -0.10 0.17 0.00 -0.00 0.00 0.00 57.88 57.97 2roq h LEU 162 Cb 0.40 -0.03 -0.14 0.00 -0.00 0.00 0.00 40.66 40.89 2roq h LEU 162 CO -0.12 0.20 -0.09 0.00 -0.00 0.00 0.00 178.44 178.43 2roq h ALA 163 N 0.94 0.66 -0.33 1.53 0.00 -0.29 0.33 119.26 122.10 2roq h ALA 163 Ca 0.04 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 163 Cb 0.10 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 163 CO -0.01 -0.43 -0.22 1.79 0.00 0.00 0.00 179.25 180.39 2roq h THR 164 N 0.05 1.27 0.74 0.00 1.35 -1.20 -1.69 112.91 113.43 2roq h THR 164 Ca 0.40 -1.28 -0.04 0.00 -0.55 0.00 0.00 66.41 64.94 2roq h THR 164 Cb 0.66 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2roq h THR 164 CO -0.73 0.42 -0.37 -0.07 -0.25 0.00 0.00 175.52 174.52 2roq h LEU 165 N 0.56 -0.88 -1.13 3.87 4.07 0.28 -1.98 115.31 120.10 2roq h LEU 165 Ca 0.08 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2roq h LEU 165 Cb 0.68 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2roq h LEU 165 CO 0.05 -0.62 0.00 -0.07 -1.08 0.00 0.00 178.44 176.72 2roq h LEU 166 N -1.01 0.00 -0.31 1.67 -0.00 -1.11 -2.04 115.31 112.50 2roq h LEU 166 Ca -0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.66 2roq h LEU 166 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2roq h LEU 166 CO 0.16 0.00 -0.56 -0.33 -0.00 0.00 0.00 178.44 177.71 2roq h GLU 167 N 0.00 0.00 0.05 1.13 3.07 -0.68 -3.27 114.58 114.88 2roq h GLU 167 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 2roq h GLU 167 Cb 0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2roq h GLU 167 CO 0.00 0.56 -1.69 1.96 -1.40 0.00 0.00 179.01 178.44 2roq h GLN 168 N 0.00 0.10 -2.36 2.33 1.08 -0.67 -3.48 115.11 112.11 2roq h GLN 168 Ca -0.01 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 56.94 2roq h GLN 168 Cb 1.30 0.07 -0.20 0.00 -0.05 0.00 0.00 27.48 28.59 2roq h GLN 168 CO 0.07 0.80 0.01 -0.65 -0.95 0.00 0.00 178.83 178.12 2roq s GLN 169 N -2.60 0.88 -0.02 1.46 -0.21 -1.02 -5.08 119.66 113.06 2roq s GLN 169 Ca -0.09 0.23 -0.25 0.00 0.02 0.00 0.00 55.36 55.26 2roq s GLN 169 Cb 0.08 0.41 -0.20 0.00 1.00 0.00 0.00 33.01 34.30 2roq s GLN 169 CO 0.82 -0.24 1.23 -1.00 -2.12 0.00 0.00 175.29 173.97 2roq h PRO 170 N 3.66 -0.06 -3.25 2.91 0.13 -1.87 -3.35 132.00 130.17 2roq h PRO 170 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2roq h PRO 170 Cb 1.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2roq h PRO 170 CO 0.35 0.41 0.18 -3.38 -0.23 0.00 0.00 178.00 175.32 2roq s HIS 171 N -4.21 0.37 -1.38 1.56 -3.43 -1.26 -4.81 115.29 102.12 2roq s HIS 171 Ca -0.15 -0.97 0.00 0.00 -0.80 0.00 0.00 55.06 53.14 2roq s HIS 171 Cb 0.02 0.65 0.00 0.00 -1.43 0.00 0.00 32.58 31.82 2roq s HIS 171 CO 0.64 -1.52 0.00 0.41 -2.00 0.00 0.00 174.74 172.28 2roq n GLY 172 N -0.55 0.85 3.60 -1.38 0.00 -1.26 -5.02 105.19 101.43 2roq n GLY 172 Ca -0.07 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.94 3.44 -0.11 1.61 0.04 -1.26 -4.33 135.00 133.44 2roq s PRO 173 Ca 0.00 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2roq s PRO 173 Cb 0.00 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 2roq s PRO 173 CO 0.00 -1.73 0.02 0.71 0.04 0.00 0.00 177.00 176.04 2roq s TYR 174 N 6.38 3.19 -0.19 0.56 2.02 -1.26 -4.82 117.35 123.23 2roq s TYR 174 Ca 0.75 0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.57 2roq s TYR 174 Cb -0.21 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2roq s TYR 174 CO 0.33 0.37 -0.12 -0.47 -1.57 0.00 0.00 175.55 174.09 2roq s TYR 175 N -0.50 2.87 0.28 2.71 5.04 -1.26 -3.61 117.35 122.87 2roq s TYR 175 Ca 0.09 -1.21 0.03 0.00 -2.44 0.00 0.00 57.07 53.55 2roq s TYR 175 Cb -0.12 -2.00 -0.06 0.00 0.35 0.00 0.00 41.96 40.13 2roq s TYR 175 CO 0.02 -0.63 0.04 -0.51 -1.34 0.00 0.00 175.55 173.13 2roq s LEU 176 N 1.30 2.10 -0.10 6.97 1.02 -1.22 -2.27 118.68 126.48 2roq s LEU 176 Ca 0.04 -1.32 -0.06 0.00 0.02 0.00 0.00 54.13 52.81 2roq s LEU 176 Cb -0.14 -0.29 0.04 0.00 0.02 0.00 0.00 46.19 45.82 2roq s LEU 176 CO -0.06 -0.58 0.24 -0.22 0.02 0.00 0.00 176.35 175.74 2roq s LEU 177 N -3.40 0.63 0.34 1.79 2.96 -1.21 -0.44 118.68 119.35 2roq s LEU 177 Ca 0.34 0.50 0.09 0.00 -0.22 0.00 0.00 54.13 54.84 2roq s LEU 177 Cb 0.07 0.74 -0.05 0.00 0.50 0.00 0.00 46.19 47.45 2roq s LEU 177 CO 0.13 -0.14 0.03 -0.83 -1.32 0.00 0.00 176.35 174.22 2roq s GLY 178 N 0.92 2.05 -0.12 7.98 0.00 0.50 -3.11 107.32 115.54 2roq s GLY 178 Ca -0.07 -1.94 -0.08 0.00 0.00 0.00 0.00 44.72 42.63 2roq s GLY 178 CO -0.06 -1.88 0.29 -0.19 0.00 0.00 0.00 173.10 171.26 2roq s TYR 179 N -2.51 -0.36 0.00 1.90 1.51 -1.26 -3.31 117.35 113.33 2roq s TYR 179 Ca 0.35 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 57.26 2roq s TYR 179 Cb -0.00 0.11 0.00 0.00 -0.11 0.00 0.00 41.96 41.96 2roq s TYR 179 CO 0.20 -0.20 0.00 0.45 -1.11 0.00 0.00 175.55 174.88 2roq n SER 180 N 3.50 0.00 -0.44 2.29 2.88 -1.25 -1.66 113.62 118.94 2roq n SER 180 Ca -0.18 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.48 2roq n SER 180 Cb 0.56 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.27 2roq n SER 180 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2roq n LEU 181 N 0.00 1.63 -0.27 2.46 7.94 -1.26 -4.29 117.00 123.21 2roq n LEU 181 Ca 0.00 -0.54 0.32 0.00 -1.11 0.00 0.00 56.01 54.69 2roq n LEU 181 Cb 0.00 -0.05 0.73 0.00 0.53 0.00 0.00 43.42 44.62 2roq n LEU 181 CO 0.00 0.29 1.30 1.23 -1.11 0.00 0.00 177.39 179.10 2roq h GLY 182 N 4.87 0.08 0.21 -3.96 0.00 -1.50 -1.88 103.07 100.89 2roq h GLY 182 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 -0.01 -0.47 -1.33 0.00 0.00 0.00 176.54 174.73 2roq h GLY 183 N 0.03 -0.99 0.81 4.60 0.00 -1.73 0.63 103.07 106.41 2roq h GLY 183 Ca 0.52 0.57 -0.10 0.00 0.00 0.00 0.00 47.33 48.31 2roq h GLY 183 CO -0.03 -0.27 -0.32 -0.91 0.00 0.00 0.00 176.54 175.01 2roq h THR 184 N -0.71 1.36 0.39 4.70 1.35 -1.71 -2.14 112.91 116.15 2roq h THR 184 Ca 0.01 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 2roq h THR 184 Cb 0.73 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2roq h THR 184 CO -0.26 0.48 -0.25 -0.07 -0.25 0.00 0.00 175.52 175.17 2roq h LEU 185 N 0.07 -0.62 -0.91 3.87 -0.00 -1.26 -2.09 115.31 114.37 2roq h LEU 185 Ca 0.00 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 58.08 2roq h LEU 185 Cb 0.92 0.18 -0.10 0.00 -0.00 0.00 0.00 40.66 41.67 2roq h LEU 185 CO 0.07 -0.37 0.50 0.00 -0.00 0.00 0.00 178.44 178.64 2roq h ALA 186 N -1.53 1.42 -0.01 1.53 0.00 0.14 -1.99 119.26 118.83 2roq h ALA 186 Ca -0.05 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 186 Cb 0.48 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2roq h ALA 186 CO 0.05 -0.06 -0.44 1.96 0.00 0.00 0.00 179.25 180.76 2roq h GLN 187 N 0.69 -0.57 -0.96 0.00 4.20 -1.19 0.29 115.11 117.58 2roq h GLN 187 Ca 0.50 0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.29 2roq h GLN 187 Cb 0.73 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.58 2roq h GLN 187 CO -0.37 -0.38 0.63 0.78 -0.67 0.00 0.00 178.83 178.82 2roq h GLY 188 N -0.59 1.39 0.81 3.46 0.00 -0.73 -2.09 103.07 105.33 2roq h GLY 188 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2roq h GLY 188 CO -0.33 0.40 -0.12 -2.22 0.00 0.00 0.00 176.54 174.27 2roq h ILE 189 N 1.19 0.81 -0.36 2.60 2.04 -0.64 -2.12 117.51 121.03 2roq h ILE 189 Ca 0.39 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.94 2roq h ILE 189 Cb 0.03 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2roq h ILE 189 CO -0.12 0.08 -0.14 0.00 0.00 0.00 0.00 178.15 177.97 2roq h ALA 190 N 0.18 0.16 -0.71 1.87 0.00 -0.23 -1.29 119.26 119.23 2roq h ALA 190 Ca -0.03 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2roq h ALA 190 Cb 0.39 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2roq h ALA 190 CO 0.06 -0.51 0.38 0.00 0.00 0.00 0.00 179.25 179.18 2roq h ALA 191 N 1.24 0.98 -0.33 0.00 0.00 -1.35 -0.44 119.26 119.36 2roq h ALA 191 Ca 0.18 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2roq h ALA 191 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2roq h ALA 191 CO -0.40 0.02 0.23 0.00 0.00 0.00 0.00 179.25 179.10 2roq h ARG 192 N 0.68 0.28 0.20 0.00 -0.00 -0.55 -2.07 114.38 112.92 2roq h ARG 192 Ca 0.34 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.79 2roq h ARG 192 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.19 2roq h ARG 192 CO -0.23 0.19 -0.10 -0.07 0.00 0.00 0.00 179.97 179.76 2roq h LEU 193 N 0.29 -0.23 -2.00 3.04 3.38 -0.39 0.29 115.31 119.70 2roq h LEU 193 Ca 0.14 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 57.97 2roq h LEU 193 Cb 0.20 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2roq h LEU 193 CO -0.03 0.28 0.46 -0.09 0.09 0.00 0.00 178.44 179.15 2roq h ARG 194 N -0.85 0.00 0.00 1.13 9.65 -0.61 0.28 114.38 123.98 2roq h ARG 194 Ca -0.03 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2roq h ARG 194 Cb 0.51 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 2roq h ARG 194 CO 0.05 0.00 -1.52 0.00 2.80 0.00 0.00 179.97 181.29 2roq n ALA 195 N -2.52 2.53 0.27 2.80 0.00 -0.80 -4.03 120.51 118.75 2roq n ALA 195 Ca 0.10 -0.44 0.14 0.00 0.00 0.00 0.00 53.44 53.25 2roq n ALA 195 Cb 0.68 -0.90 0.41 0.00 0.00 0.00 0.00 19.45 19.64 2roq n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ARG 196 N 0.00 0.00 0.00 0.00 2.47 0.32 -3.46 114.38 113.71 2roq h ARG 196 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2roq h ARG 196 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2roq h ARG 196 CO 0.01 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.95 2roq n GLY 197 N 0.63 1.87 2.94 0.04 0.00 -0.67 -5.05 105.19 104.95 2roq n GLY 197 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2roq n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2roq s GLU 198 N -0.00 0.09 0.52 1.61 -1.05 -0.62 -4.79 118.70 114.45 2roq s GLU 198 Ca 0.00 0.18 -0.05 0.00 -0.15 0.00 0.00 54.97 54.95 2roq s GLU 198 Cb 0.00 -0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 2roq s GLU 198 CO 0.00 -0.06 0.81 1.14 0.95 0.00 0.00 175.26 178.11 2roq s GLN 199 N 0.36 3.27 -0.44 -4.83 -2.07 -1.26 -1.69 119.66 113.00 2roq s GLN 199 Ca -0.03 0.05 -0.09 0.00 -1.82 0.00 0.00 55.36 53.47 2roq s GLN 199 Cb -0.04 -2.36 0.10 0.00 -1.09 0.00 0.00 33.01 29.62 2roq s GLN 199 CO -0.01 -0.38 0.30 0.14 -1.32 0.00 0.00 175.29 174.02 2roq s VAL 200 N -2.81 4.26 0.12 3.63 -7.23 -1.26 -4.12 120.40 113.00 2roq s VAL 200 Ca 0.50 -1.55 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 2roq s VAL 200 Cb -0.10 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 2roq s VAL 200 CO 0.44 -0.62 1.69 0.00 -0.31 0.00 0.00 175.10 176.30 2roq h ALA 201 N 8.44 0.01 -1.89 1.32 0.00 -1.85 -3.35 119.26 121.94 2roq h ALA 201 Ca -0.22 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 201 Cb 1.08 0.21 -0.21 0.00 0.00 0.00 0.00 17.79 18.87 2roq h ALA 201 CO 0.81 -0.55 -0.04 0.12 0.00 0.00 0.00 179.25 179.59 2roq s PHE 202 N -6.17 -1.19 -0.07 0.00 2.19 -1.24 -4.69 117.98 106.81 2roq s PHE 202 Ca -0.14 2.13 0.03 0.00 0.33 0.00 0.00 56.93 59.29 2roq s PHE 202 Cb 0.10 0.71 0.01 0.00 -1.31 0.00 0.00 43.02 42.53 2roq s PHE 202 CO 0.68 -0.59 -0.16 -1.17 1.83 0.00 0.00 175.22 175.81 2roq s LEU 203 N 2.51 1.80 -0.22 6.12 0.20 -0.91 -3.44 118.68 124.74 2roq s LEU 203 Ca -0.07 -0.38 -0.16 0.00 0.69 0.00 0.00 54.13 54.22 2roq s LEU 203 Cb -0.09 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 2roq s LEU 203 CO -0.19 0.08 0.42 -0.83 -0.29 0.00 0.00 176.35 175.54 2roq s GLY 204 N 0.49 2.03 -0.31 7.98 0.00 0.42 -0.45 107.32 117.48 2roq s GLY 204 Ca -0.14 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2roq s GLY 204 CO 0.05 0.90 0.05 1.08 0.00 0.00 0.00 173.10 175.18 2roq s LEU 205 N 1.53 3.66 -0.08 0.66 1.02 -1.02 -0.37 118.68 124.09 2roq s LEU 205 Ca 0.19 -1.85 -0.28 0.00 0.02 0.00 0.00 54.13 52.21 2roq s LEU 205 Cb -0.15 -1.33 -0.02 0.00 0.02 0.00 0.00 46.19 44.70 2roq s LEU 205 CO 0.08 -0.37 0.91 -0.22 0.02 0.00 0.00 176.35 176.78 2roq s LEU 206 N 1.19 4.29 0.00 1.79 2.96 -1.21 -3.25 118.68 124.45 2roq s LEU 206 Ca 0.08 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 2roq s LEU 206 Cb -0.18 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2roq s LEU 206 CO -0.13 -0.32 0.00 -0.67 -1.32 0.00 0.00 176.35 173.91 2roq n ASP 207 N 4.47 0.00 -2.79 3.68 2.03 -0.97 -3.30 116.55 119.67 2roq n ASP 207 Ca 0.05 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.24 2roq n ASP 207 Cb 0.50 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.87 2roq n ASP 207 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2roq n THR 208 N -0.21 0.00 -1.31 5.18 5.66 -1.26 -3.98 114.28 118.36 2roq n THR 208 Ca 0.00 -1.04 0.16 0.00 -3.05 0.00 0.00 64.05 60.12 2roq n THR 208 Cb 0.00 0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 69.00 2roq n THR 208 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2roq n TRP 209 N -0.46 -3.51 -1.17 1.09 8.01 -1.26 -4.91 117.44 115.23 2roq n TRP 209 Ca -0.05 1.92 -0.29 0.00 -1.31 0.00 0.00 57.50 57.77 2roq n TRP 209 Cb 0.27 -3.19 0.17 0.00 -2.01 0.00 0.00 31.31 26.55 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 2roq s PRO 210 N -4.02 0.53 0.00 -0.99 0.04 -1.26 -5.05 135.00 124.24 2roq s PRO 210 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2roq s PRO 210 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2roq s PRO 210 CO 0.00 -2.68 0.09 -0.35 0.04 0.00 0.00 177.00 174.10 2roq n PRO 211 N -4.14 0.00 -0.00 0.56 -0.04 -1.26 -4.55 135.00 125.56 2roq n PRO 211 Ca 0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2roq n PRO 211 Cb 0.57 -0.42 -0.11 0.00 -0.04 0.00 0.00 33.50 33.49 2roq n PRO 211 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2roq n GLU 212 N -0.17 0.45 -0.06 0.54 0.28 -1.26 -4.50 120.64 115.92 2roq n GLU 212 Ca 0.00 -0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 2roq n GLU 212 Cb 0.00 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.42 2roq n GLU 212 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2roq h THR 213 N 0.00 0.41 -0.04 3.84 2.02 -2.00 -3.44 112.91 113.71 2roq h THR 213 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 2roq h THR 213 Cb 0.48 0.41 -0.18 0.00 -1.74 0.00 0.00 68.15 67.12 2roq h THR 213 CO 0.00 0.00 0.10 -1.58 0.37 0.00 0.00 175.52 174.41 2roq s GLN 214 N -6.10 0.02 0.00 6.66 0.74 -1.26 -5.08 119.66 114.64 2roq s GLN 214 Ca -0.15 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.28 2roq s GLN 214 Cb 0.13 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.24 2roq s GLN 214 CO 0.68 -0.04 0.00 -1.71 -0.55 0.00 0.00 175.29 173.67 2roq n ASN 215 N 5.02 0.00 0.00 6.67 2.85 -1.26 -4.38 115.26 124.16 2roq n ASN 215 Ca 0.10 -0.90 0.11 0.00 -0.11 0.00 0.00 54.58 53.78 2roq n ASN 215 Cb 0.59 0.00 0.51 0.00 1.24 0.00 0.00 39.78 42.12 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 0.00 0.00 -0.03 1.20 4.27 -1.26 -2.75 117.44 118.86 2roq n TRP 216 Ca 0.00 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.60 2roq n TRP 216 Cb 0.00 -0.41 -0.14 0.00 -1.36 0.00 0.00 31.31 29.40 2roq n TRP 216 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2roq n GLN 217 N -1.41 0.66 0.13 -2.67 -0.00 -1.26 -3.63 117.38 109.20 2roq n GLN 217 Ca 0.07 0.02 0.12 0.00 -0.00 0.00 0.00 57.00 57.21 2roq n GLN 217 Cb 0.23 -1.61 0.63 0.00 -0.00 0.00 0.00 30.24 29.49 2roq n GLN 217 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2roq h GLU 218 N 0.00 0.06 -0.52 2.61 4.81 -1.78 -3.39 114.58 116.37 2roq h GLU 218 Ca -0.27 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 2roq h GLU 218 Cb 1.70 -0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.88 2roq h GLU 218 CO 0.03 0.04 -0.24 0.15 -0.73 0.00 0.00 179.01 178.25 2roq s LYS 219 N -5.10 0.42 0.58 1.92 1.02 -1.26 -4.99 119.74 112.34 2roq s LYS 219 Ca -0.05 -0.14 0.28 0.00 0.02 0.00 0.00 55.97 56.08 2roq s LYS 219 Cb 0.18 0.05 1.51 0.00 -0.52 0.00 0.00 37.83 39.05 2roq s LYS 219 CO 0.70 -0.61 1.95 1.05 -0.92 0.00 0.00 175.35 177.52 2roq h GLU 220 N 6.02 0.00 0.00 1.68 4.11 -1.76 0.28 114.58 124.92 2roq h GLU 220 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2roq h GLU 220 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2roq h GLU 220 CO -0.01 0.00 -0.97 0.00 0.07 0.00 0.00 179.01 178.11 2roq n ALA 221 N -2.39 0.75 -1.60 1.06 0.00 -1.26 -3.90 120.51 113.17 2roq n ALA 221 Ca 0.07 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.51 2roq n ALA 221 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.50 6.96 0.00 0.00 5.15 -1.13 -4.21 115.26 117.53 2roq n ASN 222 Ca -0.16 -3.48 0.00 0.00 -0.60 0.00 0.00 54.58 50.35 2roq n ASN 222 Cb 0.47 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2roq n GLY 223 N 0.18 -0.01 3.55 8.20 0.00 0.98 -4.70 105.19 113.39 2roq n GLY 223 Ca 0.50 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.58 3.26 0.53 0.99 1.43 -1.06 -4.89 118.68 115.35 2roq s LEU 224 Ca 0.00 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 2roq s LEU 224 Cb 0.00 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.61 2roq s LEU 224 CO 0.00 -2.30 1.05 -1.81 0.23 0.00 0.00 176.35 173.52 2roq s ASP 225 N 7.12 6.10 0.00 2.29 1.11 -1.26 -4.92 116.67 127.12 2roq s ASP 225 Ca 0.61 1.89 0.15 0.00 0.18 0.00 0.00 52.55 55.38 2roq s ASP 225 Cb -0.10 -2.55 0.86 0.00 1.07 0.00 0.00 42.92 42.20 2roq s ASP 225 CO 0.14 -0.95 1.37 -0.81 1.18 0.00 0.00 175.17 176.11 2roq n PRO 226 N -1.41 0.38 0.10 8.23 -0.04 -1.26 -2.67 135.00 138.34 2roq n PRO 226 Ca 0.09 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 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 0.93 -0.04 0.00 0.00 175.50 176.39 2roq h GLU 227 N 0.00 0.41 0.04 0.54 5.08 -1.98 -2.81 114.58 115.85 2roq h GLU 227 Ca 0.00 -0.69 -0.24 0.00 -1.00 0.00 0.00 59.36 57.43 2roq h GLU 227 Cb 0.05 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2roq h GLU 227 CO 0.00 1.31 -1.02 -0.24 -1.00 0.00 0.00 179.01 178.06 2roq h VAL 228 N 0.11 1.43 -0.23 3.13 3.04 -1.90 -2.52 116.25 119.30 2roq h VAL 228 Ca -0.26 -2.62 -0.10 0.00 -1.01 0.00 0.00 66.70 62.70 2roq h VAL 228 Cb 2.09 2.57 -0.00 0.00 -2.01 0.00 0.00 31.29 33.94 2roq h VAL 228 CO 0.22 0.78 -0.25 -0.07 -1.01 0.00 0.00 177.57 177.23 2roq h LEU 229 N 0.18 0.63 -1.25 3.16 3.38 -1.68 -2.10 115.31 117.63 2roq h LEU 229 Ca -0.09 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 2roq h LEU 229 Cb 1.68 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 2roq h LEU 229 CO 0.17 0.98 -0.16 0.00 0.09 0.00 0.00 178.44 179.53 2roq h ALA 230 N 0.66 1.03 0.06 1.53 0.00 -1.58 -1.84 119.26 119.13 2roq h ALA 230 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2roq h ALA 230 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 230 CO 0.06 0.20 -0.03 0.93 0.00 0.00 0.00 179.25 180.41 2roq h GLU 231 N 0.00 -0.08 -0.59 0.00 5.08 -1.30 -1.85 114.58 115.84 2roq h GLU 231 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2roq h GLU 231 Cb 0.66 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2roq h GLU 231 CO 0.02 0.50 0.13 -0.84 -1.00 0.00 0.00 179.01 177.83 2roq h ILE 232 N -0.89 1.24 -0.20 3.13 3.07 -1.39 -1.87 117.51 120.60 2roq h ILE 232 Ca -0.01 -0.89 -0.14 0.00 1.55 0.00 0.00 64.86 65.38 2roq h ILE 232 Cb 0.62 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 37.81 2roq h ILE 232 CO 0.01 0.33 -0.47 -1.13 -1.05 0.00 0.00 178.15 175.85 2roq h ASN 233 N 0.88 0.54 0.01 2.16 -1.24 -1.44 -2.10 115.58 114.39 2roq h ASN 233 Ca 0.19 -0.26 -0.11 0.00 0.71 0.00 0.00 56.30 56.82 2roq h ASN 233 Cb 0.33 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 2roq h ASN 233 CO 0.00 0.93 -0.35 0.03 -1.29 0.00 0.00 177.43 176.75 2roq h ARG 234 N 0.40 0.47 -0.15 6.67 3.08 -0.98 0.21 114.38 124.09 2roq h ARG 234 Ca 0.02 -0.22 -0.22 0.00 0.07 0.00 0.00 59.98 59.64 2roq h ARG 234 Cb 0.97 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.02 2roq h ARG 234 CO 0.09 0.76 -0.77 1.49 -1.07 0.00 0.00 179.97 180.47 2roq h GLU 235 N 0.40 0.76 -0.01 0.04 4.81 -1.22 -2.09 114.58 117.27 2roq h GLU 235 Ca 0.04 -0.62 -0.03 0.00 -0.13 0.00 0.00 59.36 58.62 2roq h GLU 235 Cb 0.81 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2roq h GLU 235 CO 0.07 1.23 -0.13 0.00 -0.73 0.00 0.00 179.01 179.44 2roq h ARG 236 N 0.52 0.10 0.00 1.92 2.47 -1.29 -2.08 114.38 116.02 2roq h ARG 236 Ca -0.05 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2roq h ARG 236 Cb 1.40 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.74 2roq h ARG 236 CO 0.16 0.83 -0.06 1.49 0.56 0.00 0.00 179.97 182.95 2roq h GLU 237 N -0.60 0.00 0.00 0.04 4.81 -0.67 -1.41 114.58 116.75 2roq h GLU 237 Ca -0.01 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 2roq h GLU 237 Cb 0.87 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2roq h GLU 237 CO 0.03 0.06 -1.03 0.00 -0.73 0.00 0.00 179.01 177.33 2roq h ALA 238 N 1.94 0.51 -0.18 2.92 0.00 -1.39 -0.74 119.26 122.32 2roq h ALA 238 Ca -0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 54.91 53.84 2roq h ALA 238 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2roq h ALA 238 CO 0.01 1.14 -0.62 0.35 0.00 0.00 0.00 179.25 180.13 2roq h PHE 239 N 0.00 0.82 -0.02 0.00 3.57 -0.55 -3.15 116.94 117.62 2roq h PHE 239 Ca -0.06 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2roq h PHE 239 Cb 1.71 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.30 2roq h PHE 239 CO 0.00 1.09 -0.32 1.28 -2.23 0.00 0.00 178.31 178.14 2roq n LEU 240 N -3.94 2.22 -0.13 0.59 4.77 -0.80 -4.34 117.00 115.36 2roq n LEU 240 Ca -0.04 -0.78 0.17 0.00 -0.03 0.00 0.00 56.01 55.32 2roq n LEU 240 Cb 0.65 -0.01 0.55 0.00 -2.33 0.00 0.00 43.42 42.28 2roq n LEU 240 CO 0.49 0.40 1.21 0.00 -1.33 0.00 0.00 177.39 178.15 2roq h ALA 241 N 4.12 2.21 0.00 -1.18 0.00 -1.08 0.26 119.26 123.58 2roq h ALA 241 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2roq h ALA 241 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2roq h ALA 241 CO 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 179.25 178.54 2roq h ALA 242 N 1.66 0.98 -0.08 0.00 0.00 -1.76 -3.25 119.26 116.82 2roq h ALA 242 Ca 0.35 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2roq h ALA 242 Cb 0.90 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 242 CO -0.09 0.39 -0.31 0.37 0.00 0.00 0.00 179.25 179.61 2roq h GLN 243 N 0.00 -0.40 0.00 0.00 4.15 -0.76 -3.47 115.11 114.63 2roq h GLN 243 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2roq h GLN 243 Cb 0.87 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2roq h GLN 243 CO 0.04 -0.26 0.00 1.04 -1.93 0.00 0.00 178.83 177.72 2roq n GLN 244 N -5.40 0.00 0.00 1.69 6.02 -1.23 -5.00 117.38 113.46 2roq n GLN 244 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2roq n GLN 244 Cb 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2roq n GLY 245 N 0.00 -0.95 0.06 1.08 0.00 -1.26 -4.25 105.19 99.86 2roq n GLY 245 Ca 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 0.33 -0.74 1.61 7.64 -1.26 -4.05 113.62 117.15 2roq n SER 246 Ca 0.00 0.13 0.06 0.00 1.01 0.00 0.00 58.87 60.07 2roq n SER 246 Cb 0.00 1.31 0.17 0.00 -1.01 0.00 0.00 64.21 64.68 2roq n SER 246 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2roq n THR 247 N -2.47 0.60 1.12 0.44 5.66 -1.26 -3.94 114.28 114.42 2roq n THR 247 Ca -0.05 -0.52 0.12 0.00 -3.05 0.00 0.00 64.05 60.55 2roq n THR 247 Cb 0.63 0.17 0.61 0.00 -1.55 0.00 0.00 70.33 70.19 2roq n THR 247 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2roq n SER 248 N 0.55 0.00 -0.10 1.09 7.64 -1.26 -2.35 113.62 119.20 2roq n SER 248 Ca 0.13 0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.89 2roq n SER 248 Cb 0.36 -0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.33 1.48 0.39 0.44 -1.04 -1.25 -4.02 114.28 108.95 2roq n THR 249 Ca 0.11 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.91 2roq n THR 249 Cb 0.22 -2.16 -0.09 0.00 -1.82 0.00 0.00 70.33 66.48 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2roq h GLU 250 N -0.96 -0.95 -0.29 -2.82 4.57 -1.81 -1.43 114.58 110.89 2roq h GLU 250 Ca -0.24 0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.07 2roq h GLU 250 Cb 1.19 0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.92 2roq h GLU 250 CO -0.15 -0.61 -0.19 1.25 -1.18 0.00 0.00 179.01 178.13 2roq h LEU 251 N -1.11 -0.64 -1.10 1.64 6.46 -1.75 -0.48 115.31 118.33 2roq h LEU 251 Ca -0.10 0.13 0.13 0.00 -0.12 0.00 0.00 57.88 57.92 2roq h LEU 251 Cb 0.78 0.32 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 2roq h LEU 251 CO 0.16 -0.23 0.61 -0.26 -0.62 0.00 0.00 178.44 178.11 2roq h PHE 252 N -0.17 1.04 -0.19 1.25 -1.00 -1.69 0.81 116.94 117.00 2roq h PHE 252 Ca 0.15 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 2roq h PHE 252 Cb 0.40 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 2roq h PHE 252 CO -0.38 0.40 -0.04 1.15 -1.61 0.00 0.00 178.31 177.83 2roq h THR 253 N 0.90 1.14 0.09 -1.55 2.02 0.03 -2.01 112.91 113.53 2roq h THR 253 Ca 0.48 -0.59 -0.26 0.00 0.77 0.00 0.00 66.41 66.82 2roq h THR 253 Cb 0.57 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2roq h THR 253 CO -0.25 0.19 -1.13 0.71 0.37 0.00 0.00 175.52 175.41 2roq h THR 254 N 0.27 1.46 0.21 3.16 1.35 -0.18 -2.05 112.91 117.14 2roq h THR 254 Ca 0.06 -2.84 -0.01 0.00 -0.55 0.00 0.00 66.41 63.07 2roq h THR 254 Cb 0.25 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2roq h THR 254 CO 0.01 0.83 -0.10 0.40 -0.25 0.00 0.00 175.52 176.41 2roq h ILE 255 N 0.13 0.00 0.00 6.82 1.08 -0.76 0.27 117.51 125.04 2roq h ILE 255 Ca -0.12 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2roq h ILE 255 Cb 1.83 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 2roq h ILE 255 CO 0.19 0.00 -0.05 1.05 -0.69 0.00 0.00 178.15 178.65 2roq h GLU 256 N -0.37 0.00 -0.06 2.37 -0.00 -1.55 -2.03 114.58 112.94 2roq h GLU 256 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.24 2roq h GLU 256 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 2roq h GLU 256 CO 0.05 0.05 -0.30 0.78 -0.00 0.00 0.00 179.01 179.58 2roq h GLY 257 N 0.15 0.35 0.97 1.06 0.00 -1.38 -2.10 103.07 102.11 2roq h GLY 257 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2roq h GLY 257 CO 0.01 0.44 0.22 -0.57 0.00 0.00 0.00 176.54 176.63 2roq h ASN 258 N -0.19 0.49 0.14 0.19 -0.73 -0.13 0.13 115.58 115.47 2roq h ASN 258 Ca -0.02 -0.09 -0.07 0.00 1.87 0.00 0.00 56.30 57.99 2roq h ASN 258 Cb 0.96 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.41 2roq h ASN 258 CO 0.06 0.44 -0.25 0.22 -0.37 0.00 0.00 177.43 177.53 2roq h TYR 259 N 0.51 0.22 0.03 0.67 5.03 -1.46 0.14 116.97 122.11 2roq h TYR 259 Ca 0.14 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 2roq h TYR 259 Cb 0.05 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2roq h TYR 259 CO -0.03 0.45 -0.02 0.00 -1.32 0.00 0.00 178.16 177.25 2roq h ALA 260 N 1.56 -0.04 -0.17 1.82 0.00 -0.89 -2.13 119.26 119.40 2roq h ALA 260 Ca 0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 260 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2roq h ALA 260 CO 0.04 -0.18 -0.27 0.22 0.00 0.00 0.00 179.25 179.05 2roq h ASP 261 N -0.73 0.32 -0.41 0.00 1.82 -0.71 -1.31 116.42 115.41 2roq h ASP 261 Ca -0.00 -0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.39 2roq h ASP 261 Cb 0.65 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2roq h ASP 261 CO 0.01 0.60 -0.28 0.00 -1.61 0.00 0.00 179.24 177.95 2roq h ALA 262 N 1.43 0.58 0.00 -0.78 0.00 -0.78 0.39 119.26 120.10 2roq h ALA 262 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 262 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2roq h ALA 262 CO 0.05 0.61 0.00 1.55 0.00 0.00 0.00 179.25 181.46 2roq n VAL 263 N -4.14 0.19 0.19 0.00 3.14 -0.80 -1.84 118.33 115.07 2roq n VAL 263 Ca -0.02 -0.09 0.08 0.00 -2.96 0.00 0.00 64.34 61.36 2roq n VAL 263 Cb 0.49 -0.53 -0.12 0.00 -1.06 0.00 0.00 33.84 32.62 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 -1.74 0.79 -0.00 1.45 -4.01 -0.51 -4.38 116.66 108.26 2roq n ARG 264 Ca 0.07 -0.11 0.10 0.00 -1.04 0.00 0.00 57.85 56.86 2roq n ARG 264 Cb 0.37 -1.37 -0.13 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 -1.91 0.62 0.14 2.89 -0.00 0.13 -4.23 117.00 114.64 2roq n LEU 265 Ca -0.02 -0.32 0.10 0.00 -0.00 0.00 0.00 56.01 55.78 2roq n LEU 265 Cb 0.39 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 44.33 2roq n LEU 265 CO 0.35 0.15 0.81 0.00 -0.00 0.00 0.00 177.39 178.70 2roq n LEU 266 N -1.76 0.53 0.03 1.47 -0.00 -0.76 -1.47 117.00 115.04 2roq n LEU 266 Ca 0.01 0.72 -0.13 0.00 -0.00 0.00 0.00 56.01 56.60 2roq n LEU 266 Cb 0.41 -0.74 -0.14 0.00 -0.00 0.00 0.00 43.42 42.95 2roq n LEU 266 CO 0.43 -0.82 -0.35 0.00 -0.00 0.00 0.00 177.39 176.66 2roq h THR 267 N 0.00 1.12 0.00 1.47 1.03 -1.85 -3.32 112.91 111.36 2roq h THR 267 Ca 0.00 -2.84 0.00 0.00 -0.01 0.00 0.00 66.41 63.56 2roq h THR 267 Cb 0.09 2.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.83 2roq h THR 267 CO 0.00 0.76 -0.35 0.00 -0.01 0.00 0.00 175.52 175.91 2roq h THR 268 N 0.04 0.00 -3.59 0.00 1.03 -1.51 -3.47 112.91 105.41 2roq h THR 268 Ca -0.23 -0.66 -0.53 0.00 -0.01 0.00 0.00 66.41 64.98 2roq h THR 268 Cb 1.97 1.44 0.21 0.00 -1.07 0.00 0.00 68.15 70.71 2roq h THR 268 CO 0.13 0.00 -0.40 0.00 -0.01 0.00 0.00 175.52 175.24 2roq n ALA 269 N -1.92 -2.19 -2.81 0.00 0.00 -0.73 -5.03 120.51 107.83 2roq n ALA 269 Ca 0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 2roq n ALA 269 Cb 0.47 -1.89 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 2roq n ALA 269 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s HIS 270 N -2.44 0.27 -0.18 0.00 2.46 -1.26 -5.06 115.29 109.08 2roq s HIS 270 Ca 0.59 -0.05 -0.35 0.00 0.47 0.00 0.00 55.06 55.71 2roq s HIS 270 Cb -0.22 -0.17 0.15 0.00 -0.13 0.00 0.00 32.58 32.21 2roq s HIS 270 CO 0.65 -0.01 1.40 -1.54 -2.47 0.00 0.00 174.74 172.77 2roq s SER 271 N -0.08 -0.02 -0.38 9.88 1.04 -1.26 -4.92 113.70 117.96 2roq s SER 271 Ca 0.01 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 2roq s SER 271 Cb -0.01 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.17 2roq s SER 271 CO -0.00 -0.04 0.20 -0.69 0.98 0.00 0.00 173.24 173.69 2roq s VAL 272 N -2.07 4.43 -0.33 5.02 1.01 -1.26 -4.84 120.40 122.36 2roq s VAL 272 Ca 0.13 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2roq s VAL 272 Cb 0.03 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2roq s VAL 272 CO -0.05 -0.27 1.69 -2.16 0.00 0.00 0.00 175.10 174.31 2roq s PRO 273 N 1.52 3.47 0.22 2.72 0.04 -1.26 -3.82 135.00 137.88 2roq s PRO 273 Ca 0.01 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.47 2roq s PRO 273 Cb -0.20 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 2roq s PRO 273 CO 0.06 -1.69 0.30 0.12 0.04 0.00 0.00 177.00 175.82 2roq s PHE 274 N 6.28 3.37 0.00 0.56 5.36 -1.26 -5.03 117.98 127.26 2roq s PHE 274 Ca 0.75 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2roq s PHE 274 Cb -0.21 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2roq s PHE 274 CO 0.33 0.48 0.00 -0.40 -1.46 0.00 0.00 175.22 174.16 2roq n ASP 275 N -1.11 0.00 0.00 6.13 5.75 -1.26 -4.99 116.55 121.07 2roq n ASP 275 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2roq n ASP 275 Cb 0.56 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2roq n GLY 276 N 2.40 2.04 2.74 6.12 0.00 -1.26 -3.71 105.19 113.52 2roq n GLY 276 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 2roq n GLY 276 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2roq s LYS 277 N 0.00 0.73 0.10 1.61 2.47 -1.25 -2.73 119.74 120.67 2roq s LYS 277 Ca 0.00 -0.96 -0.03 0.00 -1.56 0.00 0.00 55.97 53.42 2roq s LYS 277 Cb 0.00 -2.01 -0.03 0.00 -1.46 0.00 0.00 37.83 34.33 2roq s LYS 277 CO 0.00 -0.92 0.06 0.00 0.16 0.00 0.00 175.35 174.65 2roq s ALA 278 N 1.66 0.50 -0.21 3.13 0.00 -1.21 -2.13 121.76 123.50 2roq s ALA 278 Ca 0.07 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 2roq s ALA 278 Cb -0.17 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 2roq s ALA 278 CO -0.22 -0.46 0.13 0.99 0.00 0.00 0.00 175.76 176.19 2roq s THR 279 N -3.97 5.29 -0.35 0.00 2.01 0.40 -3.11 115.64 115.91 2roq s THR 279 Ca 0.14 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.11 2roq s THR 279 Cb 0.07 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 2roq s THR 279 CO -0.05 0.41 0.51 -0.22 -0.69 0.00 0.00 174.62 174.58 2roq s LEU 280 N 0.62 4.37 -0.61 4.42 1.98 -1.07 -2.44 118.68 125.94 2roq s LEU 280 Ca 0.07 -0.06 -0.11 0.00 -2.89 0.00 0.00 54.13 51.15 2roq s LEU 280 Cb -0.12 -2.57 0.16 0.00 0.66 0.00 0.00 46.19 44.32 2roq s LEU 280 CO 0.01 -0.48 0.51 -0.36 -1.89 0.00 0.00 176.35 174.14 2roq s PHE 281 N 2.38 3.49 0.41 5.38 0.08 -1.20 -1.59 117.98 126.92 2roq s PHE 281 Ca 0.18 -1.96 -0.07 0.00 0.12 0.00 0.00 56.93 55.20 2roq s PHE 281 Cb -0.16 -3.59 -0.05 0.00 -0.57 0.00 0.00 43.02 38.66 2roq s PHE 281 CO 0.13 -0.97 0.72 0.14 -0.10 0.00 0.00 175.22 175.15 2roq s VAL 282 N 0.80 4.89 -0.33 -0.44 -7.23 -1.20 -2.29 120.40 114.60 2roq s VAL 282 Ca 0.11 0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.63 2roq s VAL 282 Cb -0.21 -3.78 0.09 0.00 0.56 0.00 0.00 36.38 33.04 2roq s VAL 282 CO -0.03 -0.60 0.03 0.00 -0.31 0.00 0.00 175.10 174.20 2roq s ALA 283 N -2.44 2.85 0.31 1.32 0.00 -1.26 -3.55 121.76 118.99 2roq s ALA 283 Ca 0.48 -2.37 0.37 0.00 0.00 0.00 0.00 51.96 50.43 2roq s ALA 283 Cb -0.10 -1.93 1.88 0.00 0.00 0.00 0.00 23.12 22.97 2roq s ALA 283 CO 0.36 -1.59 2.12 0.93 0.00 0.00 0.00 175.76 177.57 2roq h GLU 284 N 7.68 0.00 -0.00 0.00 5.08 -1.50 0.10 114.58 125.94 2roq h GLU 284 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2roq h GLU 284 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2roq h GLU 284 CO 0.52 0.00 -0.01 0.54 -1.00 0.00 0.00 179.01 179.06 2roq n ARG 285 N -2.88 0.83 0.00 2.33 1.74 -1.26 -3.90 116.66 113.52 2roq n ARG 285 Ca -0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2roq n ARG 285 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2roq n ARG 285 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2roq n THR 286 N -1.02 0.00 -3.86 0.55 -1.04 -0.04 -4.82 114.28 104.05 2roq n THR 286 Ca 0.20 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.86 2roq n THR 286 Cb 0.18 -0.47 -0.05 0.00 -1.82 0.00 0.00 70.33 68.16 2roq n THR 286 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2roq s LEU 287 N -3.86 4.38 0.00 -4.42 0.05 0.16 -4.88 118.68 110.11 2roq s LEU 287 Ca 0.00 0.45 0.00 0.00 0.05 0.00 0.00 54.13 54.63 2roq s LEU 287 Cb 0.00 -2.39 0.00 0.00 -2.05 0.00 0.00 46.19 41.75 2roq s LEU 287 CO 0.00 0.32 0.00 1.67 -0.55 0.00 0.00 176.35 177.79 2roq n GLN 288 N 1.43 0.80 0.16 1.48 7.27 -1.26 -4.58 117.38 122.68 2roq n GLN 288 Ca -0.15 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.10 2roq n GLN 288 Cb 0.54 -0.84 0.79 0.00 2.41 0.00 0.00 30.24 33.14 2roq n GLN 288 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2roq h GLU 289 N 0.00 0.00 -0.62 3.69 4.57 -1.99 0.26 114.58 120.49 2roq h GLU 289 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2roq h GLU 289 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2roq h GLU 289 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2roq n GLY 290 N -1.45 2.83 3.83 1.92 0.00 -1.26 -4.97 105.19 106.09 2roq n GLY 290 Ca 0.04 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2roq n GLY 290 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2roq s MET 291 N -2.39 1.63 -0.57 1.61 0.23 0.91 -4.58 119.30 116.14 2roq s MET 291 Ca 0.52 0.28 -0.05 0.00 -1.03 0.00 0.00 55.69 55.41 2roq s MET 291 Cb 0.37 -1.90 0.01 0.00 -1.53 0.00 0.00 34.83 31.78 2roq s MET 291 CO 0.19 -1.86 0.60 0.43 -2.03 0.00 0.00 175.02 172.35 2roq n SER 292 N -3.53 -7.30 -2.67 -1.18 7.64 -1.26 -5.03 113.62 100.29 2roq n SER 292 Ca 0.07 0.13 -0.05 0.00 1.01 0.00 0.00 58.87 60.04 2roq n SER 292 Cb 0.59 -4.93 0.04 0.00 -1.01 0.00 0.00 64.21 58.90 2roq n SER 292 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2roq n PRO 293 N -1.21 -1.34 -1.15 1.43 -0.04 -1.26 -5.02 135.00 126.40 2roq n PRO 293 Ca 0.04 -0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.27 2roq n PRO 293 Cb 0.47 -0.25 0.05 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.02 0.28 -3.40 0.54 0.00 -1.26 -5.03 120.64 109.75 2roq n GLU 294 Ca 0.02 -2.05 -0.13 0.00 0.00 0.00 0.00 57.16 55.00 2roq n GLU 294 Cb 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 31.44 31.16 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2roq n ARG 295 N 0.11 -1.41 -3.71 5.31 5.12 -1.26 -4.99 116.66 115.82 2roq n ARG 295 Ca 0.07 1.09 -0.02 0.00 -1.93 0.00 0.00 57.85 57.06 2roq n ARG 295 Cb 0.99 -4.37 0.02 0.00 -1.16 0.00 0.00 32.46 27.94 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2roq n ALA 296 N -2.44 -2.61 -3.15 7.54 0.00 -1.26 -5.16 120.51 113.43 2roq n ALA 296 Ca -0.12 -0.92 0.05 0.00 0.00 0.00 0.00 53.44 52.44 2roq n ALA 296 Cb 0.58 0.47 -0.01 0.00 0.00 0.00 0.00 19.45 20.50 2roq n ALA 296 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2roq s TRP 297 N -2.35 -1.23 0.27 0.00 1.48 -1.26 -5.04 118.94 110.81 2roq s TRP 297 Ca 0.22 1.11 0.09 0.00 -1.06 0.00 0.00 56.10 56.47 2roq s TRP 297 Cb -0.02 0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 32.60 2roq s TRP 297 CO 0.04 -0.69 0.03 -1.12 -4.06 0.00 0.00 176.95 171.15 2roq s SER 298 N 2.89 4.64 0.10 -2.66 0.01 -1.26 -4.98 113.70 112.44 2roq s SER 298 Ca 0.13 -0.63 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 2roq s SER 298 Cb -0.11 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.16 2roq s SER 298 CO -0.19 -0.03 1.37 -2.16 0.41 0.00 0.00 173.24 172.63 2roq s PRO 299 N -3.71 4.33 -0.01 12.44 0.04 -1.26 -4.80 135.00 142.04 2roq s PRO 299 Ca 0.32 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 2roq s PRO 299 Cb -0.06 -3.30 -0.19 0.00 0.04 0.00 0.00 34.50 30.99 2roq s PRO 299 CO 0.21 -0.43 1.22 2.35 0.04 0.00 0.00 177.00 180.38 2roq h TRP 300 N 6.94 0.25 0.00 0.56 2.91 -1.93 -3.45 115.95 121.22 2roq h TRP 300 Ca -0.42 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.51 2roq h TRP 300 Cb 1.21 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.81 2roq h TRP 300 CO 0.67 0.73 0.00 -0.89 -1.03 0.00 0.00 178.44 177.92 2roq n ILE 301 N -4.63 0.00 -0.02 2.65 2.08 -1.26 -5.04 119.36 113.14 2roq n ILE 301 Ca -0.08 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.19 2roq n ILE 301 Cb 0.37 -0.87 -0.01 0.00 -0.75 0.00 0.00 39.64 38.38 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2roq n ALA 302 N -2.27 1.76 -3.53 -1.39 0.00 -1.26 -5.08 120.51 108.75 2roq n ALA 302 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 2roq n ALA 302 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 2roq n ALA 302 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2roq s GLU 303 N -2.15 0.44 0.26 0.00 2.02 -1.10 -4.86 118.70 113.30 2roq s GLU 303 Ca -0.12 1.07 -0.21 0.00 0.02 0.00 0.00 54.97 55.74 2roq s GLU 303 Cb 0.02 0.61 0.02 0.00 0.10 0.00 0.00 34.13 34.88 2roq s GLU 303 CO 0.18 -0.15 0.69 -0.48 0.02 0.00 0.00 175.26 175.52 2roq s LEU 304 N 2.59 -0.25 -0.34 1.80 0.05 -1.26 -3.31 118.68 117.96 2roq s LEU 304 Ca -0.05 -0.56 0.01 0.00 0.05 0.00 0.00 54.13 53.59 2roq s LEU 304 Cb -0.09 2.64 0.10 0.00 -2.05 0.00 0.00 46.19 46.80 2roq s LEU 304 CO -0.18 -1.29 0.10 -0.62 -0.55 0.00 0.00 176.35 173.81 2roq s ASP 305 N -2.91 4.30 0.21 1.48 -1.08 -1.18 -4.46 116.67 113.03 2roq s ASP 305 Ca 0.11 -1.96 -0.29 0.00 -0.52 0.00 0.00 52.55 49.88 2roq s ASP 305 Cb -0.05 -1.20 -0.08 0.00 -1.46 0.00 0.00 42.92 40.13 2roq s ASP 305 CO 0.05 -0.38 0.91 0.27 0.52 0.00 0.00 175.17 176.53 2roq s ILE 306 N 1.18 4.18 -0.16 4.11 -4.36 -1.26 -2.61 121.20 122.28 2roq s ILE 306 Ca 0.11 2.01 0.00 0.00 -0.26 0.00 0.00 60.65 62.51 2roq s ILE 306 Cb -0.19 -4.29 0.03 0.00 1.25 0.00 0.00 42.46 39.26 2roq s ILE 306 CO -0.16 0.48 -0.09 -0.31 0.24 0.00 0.00 174.94 175.11 2roq s TYR 307 N -1.03 1.94 -0.30 1.37 2.02 -0.62 -4.95 117.35 115.78 2roq s TYR 307 Ca 0.41 -1.18 -0.29 0.00 -0.37 0.00 0.00 57.07 55.64 2roq s TYR 307 Cb -0.25 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2roq s TYR 307 CO 0.31 -0.64 1.13 -0.98 -1.57 0.00 0.00 175.55 173.80 2roq s ARG 308 N 1.56 4.06 -0.17 -0.62 1.70 -1.26 -3.25 118.95 120.96 2roq s ARG 308 Ca 0.02 1.17 -0.05 0.00 -0.47 0.00 0.00 55.73 56.40 2roq s ARG 308 Cb -0.14 -3.76 0.08 0.00 -0.57 0.00 0.00 34.95 30.56 2roq s ARG 308 CO -0.09 -0.92 0.33 -1.14 -1.08 0.00 0.00 175.30 172.40 2roq s GLN 309 N 3.72 0.23 -0.89 3.89 2.00 -1.23 -4.97 119.66 122.42 2roq s GLN 309 Ca 0.48 0.78 -0.25 0.00 -2.00 0.00 0.00 55.36 54.38 2roq s GLN 309 Cb -0.14 -0.05 -0.05 0.00 0.80 0.00 0.00 33.01 33.57 2roq s GLN 309 CO 0.16 -0.35 1.96 0.16 -0.50 0.00 0.00 175.29 176.73 2roq s ASP 310 N 2.49 5.10 -0.24 6.67 -4.77 -1.26 -1.47 116.67 123.20 2roq s ASP 310 Ca 0.02 -0.61 -0.07 0.00 -3.30 0.00 0.00 52.55 48.59 2roq s ASP 310 Cb -0.13 -2.56 0.11 0.00 -1.09 0.00 0.00 42.92 39.26 2roq s ASP 310 CO -0.11 -2.77 0.49 0.00 0.70 0.00 0.00 175.17 173.48 2roq s ALA 312 N 2.71 2.69 0.38 0.00 0.00 -1.26 -4.56 121.76 121.71 2roq s ALA 312 Ca -0.00 -0.00 0.32 0.00 0.00 0.00 0.00 51.96 52.28 2roq s ALA 312 Cb -0.12 -3.15 1.76 0.00 0.00 0.00 0.00 23.12 21.61 2roq s ALA 312 CO -0.15 -1.21 1.98 0.45 0.00 0.00 0.00 175.76 176.82 2roq h HIS 313 N -0.71 0.00 0.00 0.00 3.86 -1.98 0.41 115.15 116.72 2roq h HIS 313 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2roq h HIS 313 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2roq h HIS 313 CO 0.60 0.00 -0.76 0.28 0.86 0.00 0.00 177.93 178.91 2roq h VAL 314 N 0.00 0.00 0.00 2.45 2.07 -1.98 -3.35 116.25 115.43 2roq h VAL 314 Ca 0.00 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2roq h VAL 314 Cb 0.22 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 2roq h VAL 314 CO 0.00 0.00 -0.48 -0.90 0.02 0.00 0.00 177.57 176.21 2roq n ASP 315 N -2.73 1.51 -0.03 0.57 5.68 0.10 -4.69 116.55 116.96 2roq n ASP 315 Ca 0.01 -3.06 0.00 0.00 -0.50 0.00 0.00 54.79 51.24 2roq n ASP 315 Cb 0.54 -0.41 -0.10 0.00 -1.14 0.00 0.00 41.12 40.01 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2roq n ILE 316 N -0.73 0.40 0.28 2.12 3.06 0.93 -4.49 119.36 120.93 2roq n ILE 316 Ca 0.13 -0.39 0.12 0.00 -2.50 0.00 0.00 62.75 60.10 2roq n ILE 316 Cb 0.77 -0.23 0.04 0.00 0.54 0.00 0.00 39.64 40.76 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 -2.18 0.48 -0.65 9.51 0.13 -1.26 -4.61 119.36 120.78 2roq n ILE 317 Ca -0.11 -0.44 -0.31 0.00 -1.10 0.00 0.00 62.75 60.79 2roq n ILE 317 Cb 0.60 -0.21 0.18 0.00 -0.84 0.00 0.00 39.64 39.38 2roq n ILE 317 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2roq n SER 318 N -2.43 -1.05 0.00 9.51 3.41 -1.26 -4.85 113.62 116.94 2roq n SER 318 Ca 0.01 0.19 0.07 0.00 -0.26 0.00 0.00 58.87 58.88 2roq n SER 318 Cb 0.51 -1.30 0.38 0.00 -0.26 0.00 0.00 64.21 63.53 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2roq n PRO 319 N -3.61 0.22 -0.05 4.33 -0.04 -1.26 -3.22 135.00 131.38 2roq n PRO 319 Ca 0.07 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 2roq n PRO 319 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.00 0.76 0.55 0.00 -1.92 -2.96 103.07 101.94 2roq h GLY 320 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 320 CO 0.00 -0.00 0.00 -0.84 0.00 0.00 0.00 176.54 175.70 2roq h THR 321 N -0.81 1.20 -0.50 4.70 2.02 -1.81 -2.07 112.91 115.66 2roq h THR 321 Ca -0.00 -0.61 0.13 0.00 0.77 0.00 0.00 66.41 66.70 2roq h THR 321 Cb 0.79 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2roq h THR 321 CO 0.00 0.16 0.35 -0.26 0.37 0.00 0.00 175.52 176.14 2roq h PHE 322 N -0.20 0.10 -0.07 3.16 0.04 -1.71 -1.18 116.94 117.08 2roq h PHE 322 Ca 0.01 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 2roq h PHE 322 Cb 0.26 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.39 2roq h PHE 322 CO 0.01 0.04 -0.54 0.93 -0.60 0.00 0.00 178.31 178.16 2roq h GLU 323 N 0.09 0.48 0.07 1.51 4.39 -1.31 -3.18 114.58 116.64 2roq h GLU 323 Ca 0.24 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.52 2roq h GLU 323 Cb 0.82 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2roq h GLU 323 CO -0.02 1.07 -0.12 0.87 -1.16 0.00 0.00 179.01 179.64 2roq h LYS 324 N 0.05 -0.24 -2.31 2.33 1.57 -0.53 -3.06 116.57 114.37 2roq h LYS 324 Ca -0.05 0.02 -0.80 0.00 -1.87 0.00 0.00 60.65 57.95 2roq h LYS 324 Cb 1.20 0.05 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 2roq h LYS 324 CO 0.11 -0.16 1.28 0.44 -0.57 0.00 0.00 179.45 180.55 2roq n ILE 325 N -5.25 5.91 -0.01 1.86 -5.35 -0.78 -4.71 119.36 111.03 2roq n ILE 325 Ca -0.07 -5.65 -0.01 0.00 -0.27 0.00 0.00 62.75 56.76 2roq n ILE 325 Cb 0.17 -1.64 -0.00 0.00 -1.74 0.00 0.00 39.64 36.43 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 0.25 -0.58 0.00 3.28 0.00 -1.16 -3.84 105.19 103.14 2roq n GLY 326 Ca 0.50 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.57 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 0.09 -0.01 1.61 -0.04 -1.26 -1.72 135.00 131.13 2roq n PRO 327 Ca -0.01 0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2roq n PRO 327 Cb 0.03 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 2roq n PRO 327 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2roq h ILE 328 N 0.00 0.97 0.00 0.52 -0.00 -1.88 -3.30 117.51 113.81 2roq h ILE 328 Ca 0.00 -2.78 -0.27 0.00 -0.00 0.00 0.00 64.86 61.81 2roq h ILE 328 Cb 0.20 2.47 -0.05 0.00 -0.00 0.00 0.00 36.82 39.44 2roq h ILE 328 CO 0.00 0.55 -1.84 0.00 -0.00 0.00 0.00 178.15 176.86 2roq n ILE 329 N -3.09 1.37 -0.14 0.16 0.00 -1.01 -3.11 119.36 113.54 2roq n ILE 329 Ca -0.14 -0.77 -0.09 0.00 0.00 0.00 0.00 62.75 61.75 2roq n ILE 329 Cb 1.02 -0.76 -0.01 0.00 0.00 0.00 0.00 39.64 39.90 2roq n ILE 329 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2roq h ARG 330 N 0.00 0.64 0.09 9.51 2.43 -1.49 0.24 114.38 125.80 2roq h ARG 330 Ca -0.32 -0.14 -0.24 0.00 -0.81 0.00 0.00 59.98 58.47 2roq h ARG 330 Cb 1.93 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 31.41 2roq h ARG 330 CO 0.05 0.64 -1.01 0.00 -1.51 0.00 0.00 179.97 178.14 2roq h ALA 331 N 0.97 -0.00 -0.53 2.80 0.00 -1.74 -2.03 119.26 118.73 2roq h ALA 331 Ca 0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2roq h ALA 331 Cb 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2roq h ALA 331 CO -0.00 0.55 0.15 1.15 0.00 0.00 0.00 179.25 181.09 2roq h THR 332 N 0.07 1.24 0.00 0.00 2.02 -1.52 0.24 112.91 114.95 2roq h THR 332 Ca -0.15 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 2roq h THR 332 Cb 1.72 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2roq h THR 332 CO 0.19 0.30 -0.34 0.25 0.37 0.00 0.00 175.52 176.30 2roq h LEU 333 N 0.73 0.00 0.06 2.58 7.12 -0.61 -2.12 115.31 123.07 2roq h LEU 333 Ca 0.17 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.92 2roq h LEU 333 Cb 0.31 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.42 2roq h LEU 333 CO -0.00 0.34 -1.29 -1.13 -0.13 0.00 0.00 178.44 176.23 2roq h ASN 334 N 0.00 0.19 0.79 1.25 -1.24 -0.99 -1.35 115.58 114.23 2roq h ASN 334 Ca -0.00 -0.24 -0.21 0.00 0.71 0.00 0.00 56.30 56.56 2roq h ASN 334 Cb 1.02 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 2roq h ASN 334 CO 0.04 1.19 -0.98 0.08 -1.29 0.00 0.00 177.43 176.47 2roq h ARG 335 N 0.03 0.10 0.00 6.67 0.11 -0.49 -3.26 114.38 117.55 2roq h ARG 335 Ca -0.13 -0.15 -0.02 0.00 0.10 0.00 0.00 59.98 59.78 2roq h ARG 335 Cb 1.91 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 33.04 2roq h ARG 335 CO 0.15 1.00 -0.98 1.37 0.10 0.00 0.00 179.97 181.60 2roq h LEU 336 N 0.04 0.00 0.31 0.08 8.10 -1.48 -3.38 115.31 118.98 2roq h LEU 336 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2roq h LEU 336 Cb 1.68 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.88 2roq h LEU 336 CO 0.14 0.06 -0.35 -0.33 -4.11 0.00 0.00 178.44 173.85 2roq h GLU 337 N 0.00 -0.65 0.00 0.17 4.39 -1.28 -3.47 114.58 113.74 2roq h GLU 337 Ca -0.02 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2roq h GLU 337 Cb 1.06 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2roq h GLU 337 CO 0.01 -0.43 0.00 0.72 -1.16 0.00 0.00 179.01 178.14 2roq n HIS 338 N -4.50 0.00 0.00 4.33 8.25 -1.25 -5.01 115.22 117.03 2roq n HIS 338 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2roq n HIS 338 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2roq n HIS 338 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2roq n HIS 339 N 0.00 0.00 -1.25 4.41 1.44 -1.26 -5.00 115.22 113.56 2roq n HIS 339 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 2roq n HIS 339 Cb 0.00 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.24 2roq n HIS 339 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2roq s HIS 340 N 0.00 2.38 -0.10 -1.40 5.04 -1.26 -5.08 115.29 114.87 2roq s HIS 340 Ca 0.00 1.24 -0.30 0.00 -1.54 0.00 0.00 55.06 54.46 2roq s HIS 340 Cb 0.00 -3.16 0.08 0.00 0.04 0.00 0.00 32.58 29.54 2roq s HIS 340 CO 0.00 -2.32 0.76 -3.38 -2.34 0.00 0.00 174.74 167.46 2roq s HIS 341 N -2.96 -0.60 0.26 3.88 -3.43 -1.26 -5.07 115.29 106.10 2roq s HIS 341 Ca 0.63 1.09 0.10 0.00 -0.80 0.00 0.00 55.06 56.07 2roq s HIS 341 Cb -0.17 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 2roq s HIS 341 CO 0.57 -0.53 -0.02 -1.01 -2.00 0.00 0.00 174.74 171.74 2roq s HIS 342 N -1.02 2.66 -2.00 0.38 3.76 -1.26 -5.20 115.29 112.61 2roq s HIS 342 Ca -0.08 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 2roq s HIS 342 Cb -0.01 -1.18 0.32 0.00 1.11 0.00 0.00 32.58 32.82 2roq s HIS 342 CO 0.07 0.63 0.79 0.72 -0.85 0.00 0.00 174.74 176.10