#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq n LEU 2 N 0.00 1.56 -4.68 3.17 -0.00 -1.26 -5.12 117.00 110.67 2roq n LEU 2 Ca 0.00 -4.96 -0.29 0.00 -0.00 0.00 0.00 56.01 50.77 2roq n LEU 2 Cb 0.00 0.07 0.17 0.00 -0.00 0.00 0.00 43.42 43.67 2roq n LEU 2 CO 0.00 2.02 0.64 -2.16 -0.00 0.00 0.00 177.39 177.89 2roq s PRO 3 N -1.52 0.48 0.19 1.96 0.04 -1.26 -5.02 135.00 129.87 2roq s PRO 3 Ca 0.36 0.54 -0.22 0.00 0.04 0.00 0.00 61.00 61.72 2roq s PRO 3 Cb 0.13 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.85 2roq s PRO 3 CO -0.09 -2.70 0.73 -1.21 0.04 0.00 0.00 177.00 173.77 2roq s GLU 4 N -4.96 4.37 -0.85 4.56 0.41 -1.26 -5.03 118.70 115.94 2roq s GLU 4 Ca 0.65 0.97 -0.09 0.00 -0.41 0.00 0.00 54.97 56.10 2roq s GLU 4 Cb -0.19 -3.05 0.22 0.00 -1.78 0.00 0.00 34.13 29.34 2roq s GLU 4 CO 0.58 0.48 0.77 -0.51 -0.49 0.00 0.00 175.26 176.08 2roq s LEU 5 N -1.60 6.14 -0.29 1.80 1.43 -1.26 -4.94 118.68 119.96 2roq s LEU 5 Ca 0.39 -3.09 0.04 0.00 -1.03 0.00 0.00 54.13 50.45 2roq s LEU 5 Cb -0.19 -2.08 0.18 0.00 0.03 0.00 0.00 46.19 44.13 2roq s LEU 5 CO 0.23 -0.40 0.51 -0.54 0.23 0.00 0.00 176.35 176.38 2roq s LYS 6 N -0.44 0.50 -0.19 1.70 1.02 -1.26 -5.15 119.74 115.92 2roq s LYS 6 Ca 0.22 0.38 -0.36 0.00 0.02 0.00 0.00 55.97 56.23 2roq s LYS 6 Cb -0.12 0.02 0.15 0.00 -0.52 0.00 0.00 37.83 37.36 2roq s LYS 6 CO -0.08 -1.04 1.35 0.00 -0.92 0.00 0.00 175.35 174.67 2roq s ALA 7 N 2.71 -2.26 0.24 5.17 0.00 -1.26 -5.18 121.76 121.17 2roq s ALA 7 Ca 0.10 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2roq s ALA 7 Cb -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2roq s ALA 7 CO -0.28 -0.74 0.00 0.94 0.00 0.00 0.00 175.76 175.69 2roq n GLN 8 N -0.20 0.99 -2.66 0.00 -0.06 -1.26 -5.10 117.38 109.09 2roq n GLN 8 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 2roq n GLN 8 Cb 0.59 0.00 0.09 0.00 -4.06 0.00 0.00 30.24 26.86 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2roq n ALA 9 N -3.00 -3.62 0.62 1.69 0.00 -1.26 -5.01 120.51 109.94 2roq n ALA 9 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.27 2roq n ALA 9 Cb 0.00 -3.37 0.35 0.00 0.00 0.00 0.00 19.45 16.43 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 1.14 0.13 0.00 0.00 -0.04 -1.26 -4.27 135.00 130.70 2roq n PRO 10 Ca -0.02 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2roq n PRO 10 Cb 0.73 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.03 -1.76 3.36 0.55 0.00 -1.26 -4.91 105.19 101.13 2roq n GLY 11 Ca 0.06 0.57 -0.21 0.00 0.00 0.00 0.00 46.02 46.43 2roq n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2roq s ARG 12 N 0.00 1.35 0.95 1.61 1.04 -1.26 -4.98 118.95 117.65 2roq s ARG 12 Ca 0.00 -1.50 -0.13 0.00 -1.04 0.00 0.00 55.73 53.06 2roq s ARG 12 Cb 0.00 -1.36 0.01 0.00 -2.04 0.00 0.00 34.95 31.57 2roq s ARG 12 CO 0.00 0.26 0.28 0.00 -0.04 0.00 0.00 175.30 175.81 2roq n ALA 13 N 0.03 -2.87 -1.23 7.88 0.00 -1.26 -1.67 120.51 121.40 2roq n ALA 13 Ca -0.11 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 2roq n ALA 13 Cb 0.58 -1.73 0.12 0.00 0.00 0.00 0.00 19.45 18.42 2roq n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2roq s PRO 14 N -3.43 1.66 0.66 0.00 0.04 -1.26 -4.49 135.00 128.18 2roq s PRO 14 Ca 0.55 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 2roq s PRO 14 Cb -0.21 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2roq s PRO 14 CO 0.69 -2.00 0.95 0.21 0.04 0.00 0.00 177.00 176.89 2roq s LYS 15 N -4.92 2.42 0.00 4.56 2.47 -1.26 -4.92 119.74 118.08 2roq s LYS 15 Ca 0.62 -0.27 0.23 0.00 -1.56 0.00 0.00 55.97 55.00 2roq s LYS 15 Cb -0.18 -2.24 0.27 0.00 -1.46 0.00 0.00 37.83 34.23 2roq s LYS 15 CO 0.57 -1.04 1.30 0.00 0.16 0.00 0.00 175.35 176.34 2roq n ALA 16 N -2.76 2.44 -1.74 3.13 0.00 -1.26 -1.48 120.51 118.85 2roq n ALA 16 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2roq n ALA 16 Cb 0.60 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 1.38 0.57 0.03 0.00 0.00 -1.26 -4.69 105.19 101.22 2roq n GLY 17 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 0.22 0.02 1.61 7.64 -1.26 -3.43 113.62 118.42 2roq n SER 18 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2roq n SER 18 Cb 0.00 -0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 2roq n SER 18 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2roq h GLU 19 N 0.14 0.00 -0.71 1.43 4.81 -1.90 -3.34 114.58 115.01 2roq h GLU 19 Ca 0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2roq h GLU 19 Cb 0.44 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2roq h GLU 19 CO 0.00 0.53 0.47 0.00 -0.73 0.00 0.00 179.01 179.29 2roq h THR 20 N 0.00 0.85 0.00 0.32 1.03 -1.28 0.13 112.91 113.96 2roq h THR 20 Ca -0.18 -0.16 -0.10 0.00 -0.01 0.00 0.00 66.41 65.96 2roq h THR 20 Cb 1.81 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2roq h THR 20 CO 0.08 0.08 -0.47 0.16 -0.01 0.00 0.00 175.52 175.36 2roq h ILE 21 N 0.46 0.92 0.37 0.00 3.07 -1.76 -2.20 117.51 118.36 2roq h ILE 21 Ca 0.34 -1.97 -0.02 0.00 1.55 0.00 0.00 64.86 64.76 2roq h ILE 21 Cb 0.69 2.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.47 2roq h ILE 21 CO -0.11 0.46 -0.18 0.40 -1.05 0.00 0.00 178.15 177.68 2roq h ILE 22 N 0.00 0.26 -0.71 0.16 1.08 -0.90 -1.36 117.51 116.03 2roq h ILE 22 Ca -0.00 -0.70 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 2roq h ILE 22 Cb 1.19 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 2roq h ILE 22 CO 0.06 0.06 0.27 0.00 -0.69 0.00 0.00 178.15 177.86 2roq h ALA 23 N -0.88 0.92 -0.43 1.87 0.00 -1.49 -2.09 119.26 117.17 2roq h ALA 23 Ca -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2roq h ALA 23 Cb 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2roq h ALA 23 CO 0.08 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.92 2roq h ALA 24 N 1.13 1.25 0.00 0.00 0.00 -1.49 -2.06 119.26 118.08 2roq h ALA 24 Ca 0.24 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2roq h ALA 24 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2roq h ALA 24 CO -0.02 0.51 -0.50 0.00 0.00 0.00 0.00 179.25 179.24 2roq h ALA 25 N 1.39 1.09 0.20 0.00 0.00 -0.87 -2.16 119.26 118.91 2roq h ALA 25 Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2roq h ALA 25 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2roq h ALA 25 CO 0.01 0.63 -0.10 0.74 0.00 0.00 0.00 179.25 180.53 2roq h PHE 26 N 0.00 -0.26 -0.18 0.00 0.04 -0.86 0.52 116.94 116.22 2roq h PHE 26 Ca -0.01 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.81 2roq h PHE 26 Cb 0.93 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 2roq h PHE 26 CO 0.00 -0.16 0.24 0.66 -0.60 0.00 0.00 178.31 178.45 2roq h SER 27 N -0.68 0.00 0.19 2.17 4.64 -1.49 0.29 113.55 118.67 2roq h SER 27 Ca -0.03 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.97 2roq h SER 27 Cb 0.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2roq h SER 27 CO 0.05 0.00 -1.58 -1.28 -0.87 0.00 0.00 176.83 173.15 2roq h SER 28 N 0.00 0.63 0.12 4.97 0.87 -1.44 0.22 113.55 118.92 2roq h SER 28 Ca 0.08 -0.92 -0.01 0.00 -1.23 0.00 0.00 61.79 59.71 2roq h SER 28 Cb 0.55 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2roq h SER 28 CO -0.00 1.72 -0.06 -0.07 -0.53 0.00 0.00 176.83 177.90 2roq h LEU 29 N 0.02 -0.13 0.00 2.23 3.38 0.50 -3.15 115.31 118.15 2roq h LEU 29 Ca -0.31 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2roq h LEU 29 Cb 2.03 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.82 2roq h LEU 29 CO 0.18 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.31 2roq n LEU 30 N -4.90 0.00 0.00 1.67 4.77 0.88 -4.87 117.00 114.55 2roq n LEU 30 Ca -0.08 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2roq n LEU 30 Cb 0.28 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2roq n LEU 30 CO 0.29 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2roq n GLY 31 N 0.68 3.23 0.00 -0.72 0.00 -0.90 -4.90 105.19 102.59 2roq n GLY 31 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2roq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roq n ASP 33 N 1.25 -1.32 -4.13 0.00 2.03 -1.26 -4.64 116.55 108.47 2roq n ASP 33 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2roq n ASP 33 Cb 0.00 -0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 39.61 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 -2.88 1.61 -0.00 5.18 1.01 -1.26 -4.96 120.40 119.09 2roq s VAL 34 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2roq s VAL 34 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.97 2roq s VAL 34 CO 0.00 0.46 0.42 1.67 0.00 0.00 0.00 175.10 177.65 2roq n GLN 35 N 3.58 0.02 -1.58 2.72 7.27 -1.26 -4.44 117.38 123.68 2roq n GLN 35 Ca -0.21 -0.41 0.00 0.00 0.07 0.00 0.00 57.00 56.46 2roq n GLN 35 Cb 0.52 0.49 0.00 0.00 2.41 0.00 0.00 30.24 33.67 2roq n GLN 35 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2roq n ASP 36 N -0.02 0.60 0.00 1.69 5.75 -1.26 -4.43 116.55 118.88 2roq n ASP 36 Ca -0.11 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2roq n ASP 36 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2roq n ALA 37 N -3.00 1.60 -1.89 2.12 0.00 -0.67 -4.23 120.51 114.44 2roq n ALA 37 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 53.44 52.79 2roq n ALA 37 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.25 1.45 -4.87 0.00 2.03 -1.26 -1.09 116.55 112.56 2roq n ASP 38 Ca 0.00 -3.15 -0.31 0.00 0.52 0.00 0.00 54.79 51.85 2roq n ASP 38 Cb 0.30 -0.44 0.02 0.00 -0.72 0.00 0.00 41.12 40.28 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 -2.02 3.02 -0.18 -1.67 0.00 -1.26 -4.84 121.76 114.81 2roq s ALA 39 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2roq s ALA 39 Cb 0.36 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2roq s ALA 39 CO -0.10 -0.85 -0.14 -0.51 0.00 0.00 0.00 175.76 174.16 2roq s ASP 40 N -4.23 3.63 0.17 0.00 1.01 -1.26 -3.36 116.67 112.63 2roq s ASP 40 Ca 0.56 -0.52 -0.27 0.00 0.71 0.00 0.00 52.55 53.03 2roq s ASP 40 Cb -0.11 -1.58 0.02 0.00 1.01 0.00 0.00 42.92 42.26 2roq s ASP 40 CO 0.53 0.02 1.55 0.15 0.21 0.00 0.00 175.17 177.64 2roq h PHE 41 N 7.79 -1.48 -0.82 4.23 3.04 -1.87 0.59 116.94 128.42 2roq h PHE 41 Ca -0.40 0.10 0.01 0.00 3.98 0.00 0.00 57.97 61.65 2roq h PHE 41 Cb 1.16 0.75 -0.04 0.00 2.56 0.00 0.00 35.95 40.38 2roq h PHE 41 CO 0.52 -0.42 0.54 0.74 -2.02 0.00 0.00 178.31 177.67 2roq h PHE 42 N -0.16 1.04 0.00 0.41 0.04 -1.88 0.20 116.94 116.60 2roq h PHE 42 Ca 0.18 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.97 2roq h PHE 42 Cb 0.53 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2roq h PHE 42 CO -0.82 0.67 0.00 0.00 -0.60 0.00 0.00 178.31 177.55 2roq n ALA 43 N -2.41 2.23 -0.04 2.45 0.00 0.98 -2.77 120.51 120.95 2roq n ALA 43 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2roq n ALA 43 Cb 0.03 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 2roq n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 44 N -1.25 0.20 0.00 0.00 4.77 0.17 -4.87 117.00 116.02 2roq n LEU 44 Ca 0.12 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2roq n LEU 44 Cb 0.18 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2roq n LEU 44 CO 0.18 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2roq n GLY 45 N 1.52 0.97 3.84 -0.72 0.00 -0.90 -5.02 105.19 104.88 2roq n GLY 45 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.54 2.45 -0.30 -0.02 0.00 -1.12 -4.84 107.32 101.95 2roq s GLY 46 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 2roq s GLY 46 CO 0.00 0.09 1.16 -1.58 0.00 0.00 0.00 173.10 172.77 2roq s HIS 47 N -1.16 -0.05 -1.38 1.90 2.46 -1.26 -4.82 115.29 110.98 2roq s HIS 47 Ca 0.26 -0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2roq s HIS 47 Cb -0.16 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.30 2roq s HIS 47 CO 0.14 -0.03 0.00 0.00 -2.47 0.00 0.00 174.74 172.38 2roq n ALA 48 N 3.07 -0.38 -2.01 1.58 0.00 -1.26 -4.64 120.51 116.87 2roq n ALA 48 Ca 0.07 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 2roq n ALA 48 Cb 0.66 -1.51 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N -2.21 -0.03 0.11 0.00 4.77 -1.26 -4.90 117.00 113.48 2roq n LEU 49 Ca -0.15 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2roq n LEU 49 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2roq n LEU 49 CO 0.20 0.80 0.00 -0.11 -1.33 0.00 0.00 177.39 176.96 2roq n LEU 50 N 0.01 -1.59 0.28 2.23 -0.00 -1.26 -4.75 117.00 111.92 2roq n LEU 50 Ca -0.01 0.43 0.16 0.00 -0.00 0.00 0.00 56.01 56.58 2roq n LEU 50 Cb 0.58 1.66 0.80 0.00 -0.00 0.00 0.00 43.42 46.46 2roq n LEU 50 CO -0.01 -0.26 1.01 0.00 -0.00 0.00 0.00 177.39 178.13 2roq h ALA 51 N 0.00 1.14 0.07 1.96 0.00 -1.93 0.55 119.26 121.05 2roq h ALA 51 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2roq h ALA 51 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2roq h ALA 51 CO 0.00 0.09 -0.42 1.98 0.00 0.00 0.00 179.25 180.90 2roq h MET 52 N 0.00 0.16 -0.23 0.00 1.85 -1.90 -2.26 114.93 112.54 2roq h MET 52 Ca -0.00 -0.27 -0.10 0.00 -0.61 0.00 0.00 59.70 58.72 2roq h MET 52 Cb 0.34 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 2roq h MET 52 CO 0.01 1.13 -0.25 -0.22 -0.40 0.00 0.00 176.91 177.18 2roq h LYS 53 N -0.68 0.58 0.55 0.39 1.63 -1.84 -2.23 116.57 114.97 2roq h LYS 53 Ca -0.07 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.38 2roq h LYS 53 Cb 1.33 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2roq h LYS 53 CO 0.08 0.91 -0.26 1.25 -3.45 0.00 0.00 179.45 177.98 2roq h LEU 54 N 0.28 -0.62 -0.08 5.20 6.46 -1.04 -2.19 115.31 123.32 2roq h LEU 54 Ca 0.03 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2roq h LEU 54 Cb 0.81 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.84 2roq h LEU 54 CO 0.06 -0.27 -0.46 0.00 -0.62 0.00 0.00 178.44 177.15 2roq h ALA 55 N -0.74 -0.71 -0.98 1.25 0.00 -1.50 0.32 119.26 116.91 2roq h ALA 55 Ca -0.07 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.02 2roq h ALA 55 Cb 0.63 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2roq h ALA 55 CO 0.12 -0.99 0.63 0.00 0.00 0.00 0.00 179.25 179.01 2roq h ALA 56 N -0.06 2.08 -0.02 0.00 0.00 -1.47 0.35 119.26 120.14 2roq h ALA 56 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2roq h ALA 56 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2roq h ALA 56 CO -0.38 -0.43 -0.06 0.37 0.00 0.00 0.00 179.25 178.75 2roq h GLN 57 N 0.49 0.08 0.21 0.00 4.15 -0.39 -2.33 115.11 117.33 2roq h GLN 57 Ca 0.54 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.89 2roq h GLN 57 Cb 1.21 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2roq h GLN 57 CO -0.26 0.66 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.12 2roq h LEU 58 N -0.48 -0.24 -1.29 -2.39 3.38 0.75 0.10 115.31 115.14 2roq h LEU 58 Ca -0.00 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2roq h LEU 58 Cb 0.66 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 2roq h LEU 58 CO 0.01 -0.09 0.55 0.77 0.09 0.00 0.00 178.44 179.77 2roq h SER 59 N -0.38 0.70 1.73 -0.43 4.64 -0.45 0.69 113.55 120.05 2roq h SER 59 Ca -0.03 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2roq h SER 59 Cb 0.29 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2roq h SER 59 CO 0.05 0.40 0.00 0.03 -0.87 0.00 0.00 176.83 176.44 2roq h ARG 60 N 0.77 0.00 -0.00 4.77 2.47 -1.11 0.12 114.38 121.39 2roq h ARG 60 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2roq h ARG 60 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2roq h ARG 60 CO -0.16 0.00 -0.87 1.04 0.56 0.00 0.00 179.97 180.54 2roq n GLN 61 N -2.72 0.29 0.00 0.04 1.13 0.57 -4.27 117.38 112.42 2roq n GLN 61 Ca 0.05 -0.24 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 2roq n GLN 61 Cb 0.48 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.33 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2roq n VAL 62 N -1.15 0.00 -1.62 5.09 0.24 0.21 -5.00 118.33 116.11 2roq n VAL 62 Ca 0.05 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.34 61.71 2roq n VAL 62 Cb 0.36 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.82 -0.28 -3.76 2.33 0.00 0.35 -4.98 120.51 113.35 2roq n ALA 63 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 2roq n ALA 63 Cb 0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 -2.54 1.61 -3.78 0.00 3.00 -0.91 -5.03 116.66 109.01 2roq n ARG 64 Ca -0.16 -0.35 -0.35 0.00 -0.00 0.00 0.00 57.85 56.99 2roq n ARG 64 Cb 0.53 0.06 -0.11 0.00 0.00 0.00 0.00 32.46 32.95 2roq n ARG 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2roq s GLN 65 N -2.20 2.27 -0.05 -0.14 -1.52 -1.26 -4.62 119.66 112.14 2roq s GLN 65 Ca 0.02 -2.29 0.06 0.00 -1.95 0.00 0.00 55.36 51.20 2roq s GLN 65 Cb -0.00 -3.61 -0.01 0.00 -0.22 0.00 0.00 33.01 29.17 2roq s GLN 65 CO 0.01 -1.12 -0.23 0.54 -0.25 0.00 0.00 175.29 174.24 2roq s VAL 66 N 0.33 1.85 0.00 1.09 0.11 -1.26 -4.87 120.40 117.65 2roq s VAL 66 Ca 0.14 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 2roq s VAL 66 Cb -0.22 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.07 2roq s VAL 66 CO -0.03 0.52 0.00 0.41 -3.33 0.00 0.00 175.10 172.67 2roq n THR 67 N 2.92 0.00 0.00 5.04 -1.04 -1.26 -4.33 114.28 115.61 2roq n THR 67 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2roq n THR 67 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2roq n THR 67 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2roq n PRO 68 N 0.00 0.00 -2.87 -2.82 -0.04 -1.26 -4.43 135.00 123.58 2roq n PRO 68 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2roq n PRO 68 Cb 0.00 -0.20 0.01 0.00 -0.04 0.00 0.00 33.50 33.27 2roq n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 69 N 1.58 5.52 0.00 0.55 0.00 -1.26 -4.28 105.19 107.29 2roq n GLY 69 Ca 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.39 2roq n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2roq n GLN 70 N 0.85 0.00 0.00 1.61 6.02 -1.26 -4.83 117.38 119.77 2roq n GLN 70 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 2roq n GLN 70 Cb 0.31 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.57 2roq n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2roq n VAL 71 N 0.00 0.00 -0.02 5.09 0.31 -1.26 -4.47 118.33 117.97 2roq n VAL 71 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2roq n VAL 71 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.14 -0.49 5.55 2.86 -1.79 -3.21 114.93 117.99 2roq h MET 72 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2roq h MET 72 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2roq h MET 72 CO 0.00 0.39 0.00 1.33 1.06 0.00 0.00 176.91 179.69 2roq n VAL 73 N -4.85 1.13 0.04 -2.22 0.24 -1.26 -4.57 118.33 106.84 2roq n VAL 73 Ca -0.07 -1.06 -0.12 0.00 -2.04 0.00 0.00 64.34 61.06 2roq n VAL 73 Cb 0.19 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 32.92 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 2.88 -0.84 0.00 2.33 0.00 -1.83 -3.36 119.26 118.44 2roq h ALA 74 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2roq h ALA 74 Cb 0.91 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2roq h ALA 74 CO 0.03 -0.95 0.00 0.45 0.00 0.00 0.00 179.25 178.78 2roq n SER 75 N -4.66 0.00 -1.98 0.00 2.88 -1.26 -4.82 113.62 103.78 2roq n SER 75 Ca -0.05 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.47 2roq n SER 75 Cb 0.29 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.76 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 76 N 0.00 0.00 0.22 2.46 5.66 -1.26 -4.85 114.28 116.50 2roq n THR 76 Ca 0.00 -0.22 -0.09 0.00 -3.05 0.00 0.00 64.05 60.69 2roq n THR 76 Cb 0.00 0.32 -0.04 0.00 -1.55 0.00 0.00 70.33 69.06 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2roq h VAL 77 N 1.41 0.00 -0.79 1.08 2.07 -1.62 0.26 116.25 118.66 2roq h VAL 77 Ca -0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.59 2roq h VAL 77 Cb 0.50 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 2roq h VAL 77 CO 0.15 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.94 2roq h ALA 78 N -1.70 1.06 -0.68 1.67 0.00 -1.45 0.11 119.26 118.27 2roq h ALA 78 Ca -0.06 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2roq h ALA 78 Cb 0.43 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2roq h ALA 78 CO 0.08 -0.37 0.26 0.87 0.00 0.00 0.00 179.25 180.10 2roq h LYS 79 N 0.26 1.02 -0.76 0.00 1.57 -1.79 -2.12 116.57 114.75 2roq h LYS 79 Ca 0.46 -0.19 0.14 0.00 -1.87 0.00 0.00 60.65 59.19 2roq h LYS 79 Cb 0.83 -0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.89 2roq h LYS 79 CO -0.56 0.85 0.30 1.25 -0.57 0.00 0.00 179.45 180.73 2roq h LEU 80 N 0.96 0.28 -0.49 2.94 7.12 0.22 0.44 115.31 126.79 2roq h LEU 80 Ca 0.22 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.34 2roq h LEU 80 Cb 0.22 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2roq h LEU 80 CO -0.02 0.10 0.00 0.00 -0.13 0.00 0.00 178.44 178.40 2roq h ALA 81 N 1.55 1.00 0.00 1.25 0.00 -1.20 -2.30 119.26 119.56 2roq h ALA 81 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 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 -0.41 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.24 2roq h THR 82 N 0.00 0.00 0.00 0.00 1.03 0.24 -2.13 112.91 112.05 2roq h THR 82 Ca 0.00 -0.51 -0.22 0.00 -0.01 0.00 0.00 66.41 65.67 2roq h THR 82 Cb 0.83 1.11 -0.04 0.00 -1.07 0.00 0.00 68.15 68.97 2roq h THR 82 CO 0.00 0.00 -2.16 2.30 -0.01 0.00 0.00 175.52 175.65 2roq n ILE 83 N -2.14 0.90 0.01 0.00 -5.35 0.12 -0.07 119.36 112.82 2roq n ILE 83 Ca 0.03 -0.72 0.08 0.00 -0.27 0.00 0.00 62.75 61.87 2roq n ILE 83 Cb 0.44 -0.33 -0.12 0.00 -1.74 0.00 0.00 39.64 37.89 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 -2.60 0.40 -0.06 7.28 -5.35 -0.88 -3.25 119.36 114.90 2roq n ILE 84 Ca -0.21 -0.56 -0.13 0.00 -0.27 0.00 0.00 62.75 61.58 2roq n ILE 84 Cb 0.93 -0.19 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.47 1.08 0.14 7.28 2.03 -0.81 -4.69 116.55 119.12 2roq n ASP 85 Ca -0.06 0.13 0.12 0.00 0.52 0.00 0.00 54.79 55.49 2roq n ASP 85 Cb 0.65 -0.35 0.06 0.00 -0.72 0.00 0.00 41.12 40.76 2roq n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq h ALA 86 N -0.40 0.65 -5.84 -1.67 0.00 -1.48 -3.49 119.26 107.03 2roq h ALA 86 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.23 2roq h ALA 86 Cb 1.29 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.19 2roq h ALA 86 CO -0.18 0.00 -0.79 -1.91 0.00 0.00 0.00 179.25 176.37 2roq n GLU 87 N -2.78 -5.94 -4.83 0.00 2.13 0.90 -4.90 120.64 105.22 2roq n GLU 87 Ca 0.01 0.75 -0.25 0.00 0.66 0.00 0.00 57.16 58.34 2roq n GLU 87 Cb 0.54 -5.58 -0.15 0.00 0.27 0.00 0.00 31.44 26.52 2roq n GLU 87 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2roq s GLU 88 N -5.65 1.43 -0.18 5.31 0.41 -0.21 -4.95 118.70 114.86 2roq s GLU 88 Ca 0.02 -0.62 -0.01 0.00 -0.41 0.00 0.00 54.97 53.95 2roq s GLU 88 Cb -0.01 -1.37 0.05 0.00 -1.78 0.00 0.00 34.13 31.02 2roq s GLU 88 CO 0.77 0.37 -0.02 0.34 -0.49 0.00 0.00 175.26 176.22 2roq s ASP 89 N -0.39 2.93 -0.07 -0.19 -1.08 -1.26 -4.10 116.67 112.50 2roq s ASP 89 Ca 0.06 -0.75 0.21 0.00 -0.52 0.00 0.00 52.55 51.55 2roq s ASP 89 Cb -0.07 -0.83 0.43 0.00 -1.46 0.00 0.00 42.92 40.99 2roq s ASP 89 CO -0.01 -0.23 1.19 -1.20 0.52 0.00 0.00 175.17 175.44 2roq n SER 90 N 4.91 1.26 -4.73 -0.34 7.64 -1.26 -5.10 113.62 116.00 2roq n SER 90 Ca -0.11 -2.63 -0.37 0.00 1.01 0.00 0.00 58.87 56.77 2roq n SER 90 Cb 0.47 -0.38 0.07 0.00 -1.01 0.00 0.00 64.21 63.36 2roq n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 91 N -1.12 2.01 -0.06 0.44 2.01 -1.26 -4.96 115.64 112.71 2roq s THR 91 Ca 0.35 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.40 2roq s THR 91 Cb 0.38 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 2roq s THR 91 CO -0.13 -0.00 -0.00 0.54 -0.69 0.00 0.00 174.62 174.33 2roq n ARG 92 N -1.88 2.41 -3.41 4.92 5.12 -1.26 -4.95 116.66 117.60 2roq n ARG 92 Ca 0.16 0.01 -0.19 0.00 -1.93 0.00 0.00 57.85 55.89 2roq n ARG 92 Cb 0.48 -1.14 -0.10 0.00 -1.16 0.00 0.00 32.46 30.54 2roq n ARG 92 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2roq s ARG 93 N -2.14 0.37 0.34 5.56 0.52 -1.26 -5.14 118.95 117.20 2roq s ARG 93 Ca -0.04 -0.37 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 2roq s ARG 93 Cb 0.02 -0.76 0.03 0.00 0.52 0.00 0.00 34.95 34.75 2roq s ARG 93 CO 0.21 -1.07 0.64 -1.64 0.02 0.00 0.00 175.30 173.47 2roq s MET 94 N 2.11 1.98 -0.46 3.54 -1.94 -1.26 -4.94 119.30 118.33 2roq s MET 94 Ca 0.11 -1.44 -0.06 0.00 -1.71 0.00 0.00 55.69 52.59 2roq s MET 94 Cb -0.15 0.55 -0.11 0.00 2.01 0.00 0.00 34.83 37.13 2roq s MET 94 CO -0.27 -0.88 3.17 0.41 -0.01 0.00 0.00 175.02 177.44 2roq n GLY 95 N -0.51 3.77 0.22 -0.03 0.00 -1.26 -4.27 105.19 103.11 2roq n GLY 95 Ca -0.04 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.60 2roq n GLY 95 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2roq h PHE 96 N 3.39 0.00 -4.54 1.61 -5.15 -1.81 -3.45 116.94 106.98 2roq h PHE 96 Ca 0.38 0.00 -0.30 0.00 -0.20 0.00 0.00 57.97 57.86 2roq h PHE 96 Cb 1.01 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.13 2roq h PHE 96 CO 1.69 0.00 -0.20 -0.85 -2.00 0.00 0.00 178.31 176.94 2roq n GLU 97 N -2.75 1.39 -0.03 6.09 0.28 -1.26 -5.00 120.64 119.36 2roq n GLU 97 Ca 0.01 -1.67 0.23 0.00 -0.16 0.00 0.00 57.16 55.57 2roq n GLU 97 Cb 0.28 0.41 0.72 0.00 1.43 0.00 0.00 31.44 34.28 2roq n GLU 97 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2roq h THR 98 N 1.03 0.52 -2.68 3.84 1.35 -1.99 -3.41 112.91 111.58 2roq h THR 98 Ca -0.19 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 65.20 2roq h THR 98 Cb 0.58 0.63 0.01 0.00 -1.73 0.00 0.00 68.15 67.64 2roq h THR 98 CO 0.31 0.00 -0.22 -0.63 -0.25 0.00 0.00 175.52 174.73 2roq s ILE 99 N -4.84 5.03 -0.30 6.82 -1.09 -1.26 -4.12 121.20 121.43 2roq s ILE 99 Ca -0.05 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2roq s ILE 99 Cb 0.19 -3.83 0.09 0.00 -1.58 0.00 0.00 42.46 37.34 2roq s ILE 99 CO 0.67 -0.50 0.07 -0.22 -1.23 0.00 0.00 174.94 173.74 2roq s LEU 100 N -4.28 2.59 -0.55 2.97 0.20 -0.91 -4.32 118.68 114.37 2roq s LEU 100 Ca 0.40 -1.63 -0.27 0.00 0.69 0.00 0.00 54.13 53.32 2roq s LEU 100 Cb -0.10 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.66 2roq s LEU 100 CO 0.35 -0.39 1.82 -2.16 -0.29 0.00 0.00 176.35 175.68 2roq s PRO 101 N 1.51 2.80 0.15 0.98 0.04 -1.26 -2.11 135.00 137.10 2roq s PRO 101 Ca 0.08 0.76 0.20 0.00 0.04 0.00 0.00 61.00 62.08 2roq s PRO 101 Cb -0.18 -4.34 -0.06 0.00 0.04 0.00 0.00 34.50 29.97 2roq s PRO 101 CO -0.20 -2.52 0.96 -0.07 0.04 0.00 0.00 177.00 175.21 2roq h LEU 102 N 15.72 0.00 -6.00 -3.56 3.38 -1.59 -3.42 115.31 119.83 2roq h LEU 102 Ca -0.27 0.00 0.29 0.00 0.09 0.00 0.00 57.88 57.99 2roq h LEU 102 Cb 1.16 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 2roq h LEU 102 CO 1.18 0.25 0.32 -0.60 0.09 0.00 0.00 178.44 179.68 2roq s ARG 103 N -3.17 0.03 -0.28 1.13 6.06 0.63 -4.77 118.95 118.58 2roq s ARG 103 Ca -0.01 0.06 -0.00 0.00 -2.50 0.00 0.00 55.73 53.27 2roq s ARG 103 Cb 0.09 0.03 0.09 0.00 0.06 0.00 0.00 34.95 35.22 2roq s ARG 103 CO 0.80 -0.03 0.06 -1.83 -2.50 0.00 0.00 175.30 171.79 2roq s GLU 104 N 2.91 0.92 0.00 5.12 -1.05 -1.26 -0.68 118.70 124.66 2roq s GLU 104 Ca -0.09 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.72 2roq s GLU 104 Cb -0.08 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 2roq s GLU 104 CO -0.08 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 175.69 2roq n GLY 105 N 4.80 0.06 1.04 -3.83 0.00 -1.26 -5.08 105.19 100.92 2roq n GLY 105 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 2roq n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2roq n ASN 106 N 0.00 0.84 0.00 1.61 4.13 -1.26 -5.01 115.26 115.57 2roq n ASN 106 Ca 0.00 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.37 2roq n ASN 106 Cb 0.00 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 107 N 3.38 -1.42 3.64 7.41 0.00 -1.26 -4.92 105.19 112.01 2roq n GLY 107 Ca -0.00 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 2roq n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 108 N 0.00 3.96 -0.50 1.61 0.04 -1.26 -4.86 135.00 133.98 2roq s PRO 108 Ca 0.00 1.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 2roq s PRO 108 Cb 0.00 -3.99 0.03 0.00 0.04 0.00 0.00 34.50 30.58 2roq s PRO 108 CO 0.00 -1.10 1.12 0.95 0.04 0.00 0.00 177.00 178.01 2roq s THR 109 N 4.66 4.21 -0.70 1.26 -4.23 -1.26 -2.78 115.64 116.80 2roq s THR 109 Ca 0.70 1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 62.23 2roq s THR 109 Cb -0.27 -4.61 0.18 0.00 1.34 0.00 0.00 72.50 69.15 2roq s THR 109 CO 0.27 -1.06 0.55 -0.22 -0.54 0.00 0.00 174.62 173.63 2roq s LEU 110 N 4.45 5.60 -0.33 4.79 0.20 0.69 0.02 118.68 134.11 2roq s LEU 110 Ca 0.45 -2.93 -0.28 0.00 0.69 0.00 0.00 54.13 52.06 2roq s LEU 110 Cb -0.08 -1.94 0.02 0.00 -0.43 0.00 0.00 46.19 43.76 2roq s LEU 110 CO 0.30 -0.39 1.04 -0.36 -0.29 0.00 0.00 176.35 176.65 2roq s PHE 111 N -0.17 3.14 -0.03 5.38 0.40 0.43 -2.27 117.98 124.86 2roq s PHE 111 Ca 0.18 1.12 -0.23 0.00 -0.60 0.00 0.00 56.93 57.41 2roq s PHE 111 Cb -0.17 -3.67 -0.05 0.00 0.51 0.00 0.00 43.02 39.65 2roq s PHE 111 CO -0.05 -0.77 0.68 0.00 0.70 0.00 0.00 175.22 175.78 2roq s PHE 113 N 0.33 3.42 0.44 0.00 0.40 -1.22 -3.40 117.98 117.94 2roq s PHE 113 Ca 0.36 1.45 -0.25 0.00 -0.60 0.00 0.00 56.93 57.88 2roq s PHE 113 Cb -0.18 -2.77 -0.09 0.00 0.51 0.00 0.00 43.02 40.49 2roq s PHE 113 CO 0.19 -0.27 1.42 -2.39 0.70 0.00 0.00 175.22 174.86 2roq n HIS 114 N -1.31 2.65 -0.54 0.36 1.44 -1.26 -4.94 115.22 111.62 2roq n HIS 114 Ca 0.06 0.45 -0.02 0.00 -2.01 0.00 0.00 57.72 56.19 2roq n HIS 114 Cb 0.54 -2.46 0.02 0.00 0.12 0.00 0.00 29.99 28.21 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 -0.12 -1.19 0.18 -1.40 -0.04 -1.26 -4.86 135.00 126.31 2roq n PRO 115 Ca 0.05 -0.14 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 2roq n PRO 115 Cb 0.41 -0.13 -0.08 0.00 -0.04 0.00 0.00 33.50 33.65 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 -2.06 -0.41 -0.35 0.55 0.00 -1.95 -3.04 119.26 111.99 2roq h ALA 116 Ca -0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2roq h ALA 116 Cb 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2roq h ALA 116 CO 0.02 -0.69 -0.23 0.66 0.00 0.00 0.00 179.25 179.01 2roq h SER 117 N -0.50 0.71 0.00 0.00 4.64 -1.93 -3.39 113.55 113.09 2roq h SER 117 Ca -0.04 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2roq h SER 117 Cb 0.37 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2roq h SER 117 CO 0.07 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 2roq n GLY 118 N -0.26 1.25 3.90 -0.77 0.00 -1.15 -4.67 105.19 103.48 2roq n GLY 118 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 2.82 1.10 1.61 0.40 -1.26 -3.87 117.98 116.78 2roq s PHE 119 Ca 0.00 0.72 -0.20 0.00 -0.60 0.00 0.00 56.93 56.86 2roq s PHE 119 Cb 0.00 -3.54 0.06 0.00 0.51 0.00 0.00 43.02 40.05 2roq s PHE 119 CO 0.00 -1.88 -0.18 0.00 0.70 0.00 0.00 175.22 173.85 2roq n ALA 120 N -3.38 -4.33 -1.51 5.36 0.00 -1.19 -4.25 120.51 111.21 2roq n ALA 120 Ca 0.08 -1.27 -0.41 0.00 0.00 0.00 0.00 53.44 51.84 2roq n ALA 120 Cb 0.61 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 2roq n ALA 120 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2roq n TRP 121 N -4.26 1.19 0.20 0.00 4.27 -1.26 -4.76 117.44 112.82 2roq n TRP 121 Ca 0.00 0.24 0.02 0.00 -3.89 0.00 0.00 57.50 53.87 2roq n TRP 121 Cb 0.64 -2.53 0.16 0.00 -1.36 0.00 0.00 31.31 28.22 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2roq n GLN 122 N 8.65 2.53 -0.58 -2.67 10.64 -1.26 -4.04 117.38 130.64 2roq n GLN 122 Ca 0.47 -1.30 0.04 0.00 -1.83 0.00 0.00 57.00 54.39 2roq n GLN 122 Cb 0.30 -1.79 0.26 0.00 -0.86 0.00 0.00 30.24 28.15 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 0.22 1.35 -0.36 2.61 3.72 -1.26 -4.47 117.46 119.27 2roq n PHE 123 Ca 0.13 -0.47 0.27 0.00 -0.05 0.00 0.00 57.45 57.32 2roq n PHE 123 Cb 0.67 -0.37 0.54 0.00 -0.94 0.00 0.00 39.48 39.38 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 2.55 0.41 -0.46 4.37 4.64 -1.83 0.57 113.55 123.81 2roq h SER 124 Ca 0.00 0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 2roq h SER 124 Cb 1.46 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 2roq h SER 124 CO 0.32 -0.02 -0.26 1.62 -0.87 0.00 0.00 176.83 177.63 2roq h VAL 125 N 0.31 1.27 0.18 0.95 3.04 -1.90 -2.19 116.25 117.90 2roq h VAL 125 Ca 0.68 -1.42 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 2roq h VAL 125 Cb 1.81 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2roq h VAL 125 CO -0.38 0.49 -0.09 0.25 -1.01 0.00 0.00 177.57 176.83 2roq h LEU 126 N 0.85 -0.21 -1.31 3.16 5.85 -0.36 -1.98 115.31 121.31 2roq h LEU 126 Ca 0.10 -0.33 0.19 0.00 0.84 0.00 0.00 57.88 58.69 2roq h LEU 126 Cb 0.84 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 2roq h LEU 126 CO 0.07 0.32 0.60 0.28 -0.34 0.00 0.00 178.44 179.38 2roq h SER 127 N -0.84 0.57 1.24 1.25 0.02 -0.71 0.49 113.55 115.57 2roq h SER 127 Ca -0.02 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2roq h SER 127 Cb 0.52 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2roq h SER 127 CO 0.04 0.23 -0.42 -0.09 -1.14 0.00 0.00 176.83 175.45 2roq h ARG 128 N 0.57 0.00 0.16 3.45 9.65 -1.41 -3.13 114.38 123.67 2roq h ARG 128 Ca 0.51 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 59.14 2roq h ARG 128 Cb 1.02 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.62 2roq h ARG 128 CO -0.25 0.42 -1.11 1.88 2.80 0.00 0.00 179.97 183.71 2roq h TYR 129 N 0.00 0.62 0.00 2.20 0.05 0.55 -3.41 116.97 116.98 2roq h TYR 129 Ca -0.00 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2roq h TYR 129 Cb 1.15 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2roq h TYR 129 CO 0.00 1.43 0.00 1.28 -1.05 0.00 0.00 178.16 179.82 2roq n LEU 130 N -3.98 0.10 0.00 3.88 4.77 0.11 -5.02 117.00 116.86 2roq n LEU 130 Ca -0.17 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2roq n LEU 130 Cb 0.91 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2roq n LEU 130 CO 0.50 -0.01 0.00 0.47 -1.33 0.00 0.00 177.39 177.02 2roq n ASP 131 N -0.52 0.00 0.00 -1.43 9.92 -1.18 -5.00 116.55 118.34 2roq n ASP 131 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 2roq n ASP 131 Cb 0.00 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 40.83 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2roq n PRO 132 N -0.48 0.15 -0.95 -0.24 -0.04 -1.26 -2.87 135.00 129.31 2roq n PRO 132 Ca 0.00 0.18 -0.19 0.00 -0.04 0.00 0.00 63.50 63.44 2roq n PRO 132 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 2roq n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq n GLN 133 N -1.35 1.98 -4.58 0.54 10.64 -1.26 -4.88 117.38 118.48 2roq n GLN 133 Ca 0.06 -2.26 -0.22 0.00 -1.83 0.00 0.00 57.00 52.75 2roq n GLN 133 Cb 0.13 -1.89 -0.15 0.00 -0.86 0.00 0.00 30.24 27.47 2roq n GLN 133 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2roq s TRP 134 N -2.51 1.18 -0.05 2.61 0.23 -1.14 -4.76 118.94 114.51 2roq s TRP 134 Ca 0.43 -0.25 -0.30 0.00 -2.03 0.00 0.00 56.10 53.95 2roq s TRP 134 Cb 0.36 -0.77 -0.03 0.00 0.03 0.00 0.00 33.47 33.06 2roq s TRP 134 CO 0.06 -0.05 1.10 -1.54 0.96 0.00 0.00 176.95 177.49 2roq s SER 135 N -0.18 7.17 -0.09 2.95 1.04 -1.12 -4.70 113.70 118.77 2roq s SER 135 Ca 0.03 1.72 -0.06 0.00 0.48 0.00 0.00 55.95 58.11 2roq s SER 135 Cb -0.06 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.53 2roq s SER 135 CO -0.00 -0.47 0.22 -0.63 0.98 0.00 0.00 173.24 173.34 2roq s ILE 136 N 1.81 -0.02 -0.13 -1.02 1.01 0.14 -0.22 121.20 122.77 2roq s ILE 136 Ca 0.53 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 2roq s ILE 136 Cb -0.23 -0.33 0.05 0.00 0.01 0.00 0.00 42.46 41.96 2roq s ILE 136 CO 0.22 0.03 0.09 -0.63 0.00 0.00 0.00 174.94 174.65 2roq s ILE 137 N 0.59 -0.11 -0.24 2.92 1.01 -0.96 -0.27 121.20 124.14 2roq s ILE 137 Ca -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 2roq s ILE 137 Cb -0.05 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2roq s ILE 137 CO -0.03 -0.12 0.09 -0.83 0.00 0.00 0.00 174.94 174.05 2roq s GLY 138 N 2.16 1.82 -0.75 6.18 0.00 -0.90 -1.95 107.32 113.89 2roq s GLY 138 Ca 0.03 -1.04 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 2roq s GLY 138 CO -0.07 0.45 0.69 -1.50 0.00 0.00 0.00 173.10 172.67 2roq s ILE 139 N 1.37 5.45 -0.29 0.90 2.07 -1.22 -2.15 121.20 127.34 2roq s ILE 139 Ca 0.06 -2.25 -0.05 0.00 -1.41 0.00 0.00 60.65 57.00 2roq s ILE 139 Cb -0.15 -4.40 0.15 0.00 0.13 0.00 0.00 42.46 38.20 2roq s ILE 139 CO 0.04 -0.98 0.58 0.00 -1.91 0.00 0.00 174.94 172.67 2roq s GLN 140 N 0.51 0.53 -0.02 3.50 0.00 -1.26 -4.29 119.66 118.63 2roq s GLN 140 Ca 0.14 1.12 0.03 0.00 -0.00 0.00 0.00 55.36 56.65 2roq s GLN 140 Cb -0.15 0.55 -0.03 0.00 0.00 0.00 0.00 33.01 33.37 2roq s GLN 140 CO -0.06 -0.44 -0.09 0.45 0.00 0.00 0.00 175.29 175.15 2roq s SER 141 N 2.82 4.46 0.05 12.60 0.15 -1.25 -3.17 113.70 129.37 2roq s SER 141 Ca 0.09 -0.14 -0.31 0.00 0.70 0.00 0.00 55.95 56.29 2roq s SER 141 Cb -0.14 -1.03 -0.07 0.00 -1.71 0.00 0.00 66.02 63.08 2roq s SER 141 CO -0.19 0.31 1.41 -2.16 1.20 0.00 0.00 173.24 173.81 2roq s PRO 142 N -1.13 4.30 -0.03 5.44 0.04 -1.26 -4.70 135.00 137.65 2roq s PRO 142 Ca 0.15 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.08 2roq s PRO 142 Cb -0.11 -3.44 0.02 0.00 0.04 0.00 0.00 34.50 31.02 2roq s PRO 142 CO 0.04 -0.52 0.30 1.03 0.04 0.00 0.00 177.00 177.90 2roq s ARG 143 N 1.84 0.60 -0.02 4.56 0.52 -1.26 -5.07 118.95 120.13 2roq s ARG 143 Ca 0.65 -0.09 -0.25 0.00 -0.52 0.00 0.00 55.73 55.51 2roq s ARG 143 Cb -0.34 0.27 -0.20 0.00 0.52 0.00 0.00 34.95 35.20 2roq s ARG 143 CO 0.29 -0.15 1.27 -1.00 0.02 0.00 0.00 175.30 175.73 2roq h PRO 144 N 4.22 0.04 -0.01 3.54 0.13 -1.95 -3.45 132.00 134.51 2roq h PRO 144 Ca -0.29 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 2roq h PRO 144 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 2roq h PRO 144 CO 0.38 0.51 -0.06 -1.71 -0.23 0.00 0.00 178.00 176.89 2roq n ASN 145 N -4.83 -1.37 -4.37 1.44 2.85 -1.26 -4.30 115.26 103.42 2roq n ASN 145 Ca -0.08 -1.78 -0.37 0.00 -0.11 0.00 0.00 54.58 52.25 2roq n ASN 145 Cb 0.26 0.75 0.06 0.00 1.24 0.00 0.00 39.78 42.09 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 146 N 1.60 -2.22 0.22 8.20 0.00 -1.26 -4.89 105.19 106.84 2roq n GLY 146 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 2roq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 147 N -0.42 0.53 0.00 1.61 0.13 -2.03 -3.04 132.00 128.78 2roq h PRO 147 Ca -0.44 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2roq h PRO 147 Cb 1.36 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2roq h PRO 147 CO 0.40 0.86 -0.76 0.00 -0.23 0.00 0.00 178.00 178.27 2roq n MET 148 N -4.02 0.18 0.05 0.86 0.00 -1.26 -3.88 117.12 109.05 2roq n MET 148 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 57.70 57.78 2roq n MET 148 Cb 0.53 -1.58 0.35 0.00 0.00 0.00 0.00 33.22 32.51 2roq n MET 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2roq n GLN 149 N -1.83 0.07 0.32 3.17 1.13 -1.15 0.34 117.38 119.43 2roq n GLN 149 Ca 0.03 0.35 -0.13 0.00 -1.94 0.00 0.00 57.00 55.32 2roq n GLN 149 Cb 0.40 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 29.05 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2roq h THR 150 N 0.00 0.00 0.00 5.09 1.35 -1.67 -3.38 112.91 114.30 2roq h THR 150 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2roq h THR 150 Cb 0.24 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 2roq h THR 150 CO 0.00 0.00 -0.56 0.00 -0.25 0.00 0.00 175.52 174.71 2roq n ALA 151 N -2.61 1.31 1.50 6.62 0.00 -1.21 -4.71 120.51 121.43 2roq n ALA 151 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2roq n ALA 151 Cb 0.33 0.06 0.21 0.00 0.00 0.00 0.00 19.45 20.06 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -1.06 2.50 -0.21 0.00 0.00 0.10 -3.97 120.51 117.88 2roq n ALA 152 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 2roq n ALA 152 Cb 0.12 -1.06 0.20 0.00 0.00 0.00 0.00 19.45 18.72 2roq n ALA 152 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2roq h ASN 153 N 1.04 0.88 0.84 0.00 -1.07 -0.29 0.16 115.58 117.15 2roq h ASN 153 Ca 0.00 -0.07 -0.16 0.00 0.07 0.00 0.00 56.30 56.14 2roq h ASN 153 Cb 0.24 -0.22 -0.02 0.00 -2.07 0.00 0.00 38.32 36.24 2roq h ASN 153 CO 0.00 0.71 -0.75 -0.07 0.07 0.00 0.00 177.43 177.39 2roq h LEU 154 N 1.00 0.00 -0.06 6.14 3.38 -1.86 -2.12 115.31 121.78 2roq h LEU 154 Ca 0.25 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.98 2roq h LEU 154 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2roq h LEU 154 CO -0.04 0.75 -1.05 0.44 0.09 0.00 0.00 178.44 178.63 2roq h ASP 155 N 0.00 0.58 -0.13 -0.43 3.32 -1.63 -2.12 116.42 116.01 2roq h ASP 155 Ca -0.01 -0.50 -0.19 0.00 0.02 0.00 0.00 57.03 56.35 2roq h ASP 155 Cb 1.37 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.75 2roq h ASP 155 CO 0.10 1.32 -0.65 -0.08 -1.72 0.00 0.00 179.24 178.21 2roq h GLU 156 N 0.21 0.67 0.00 3.56 4.81 -0.72 -2.12 114.58 120.99 2roq h GLU 156 Ca -0.11 -0.55 -0.08 0.00 -0.13 0.00 0.00 59.36 58.49 2roq h GLU 156 Cb 1.71 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 2roq h GLU 156 CO 0.18 1.16 -0.40 -0.39 -0.73 0.00 0.00 179.01 178.84 2roq h VAL 157 N 0.34 0.97 0.11 0.32 -1.51 -1.47 -2.13 116.25 112.89 2roq h VAL 157 Ca -0.04 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 2roq h VAL 157 Cb 1.29 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 2roq h VAL 157 CO 0.13 0.39 -0.06 0.00 -1.23 0.00 0.00 177.57 176.81 2roq h GLU 159 N -0.93 0.70 -0.52 0.00 -0.00 -1.44 -2.03 114.58 110.35 2roq h GLU 159 Ca -0.02 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 59.27 2roq h GLU 159 Cb 0.50 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 29.07 2roq h GLU 159 CO 0.03 0.46 0.21 0.00 -0.00 0.00 0.00 179.01 179.71 2roq h ALA 160 N 1.27 0.68 0.15 1.06 0.00 -1.50 -1.25 119.26 119.66 2roq h ALA 160 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2roq h ALA 160 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2roq h ALA 160 CO -0.11 0.28 -0.11 0.45 0.00 0.00 0.00 179.25 179.77 2roq h HIS 161 N 0.70 -0.29 -0.76 0.00 3.86 -0.94 -2.10 115.15 115.63 2roq h HIS 161 Ca 0.17 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.55 2roq h HIS 161 Cb 0.19 0.11 -0.11 0.00 1.06 0.00 0.00 27.41 28.66 2roq h HIS 161 CO 0.00 -0.15 0.22 -0.07 0.86 0.00 0.00 177.93 178.80 2roq h LEU 162 N -0.24 0.10 -0.28 2.43 -0.00 -1.44 0.34 115.31 116.21 2roq h LEU 162 Ca -0.02 0.14 0.05 0.00 -0.00 0.00 0.00 57.88 58.05 2roq h LEU 162 Cb 0.20 0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 40.95 2roq h LEU 162 CO 0.01 -0.01 -0.51 0.00 -0.00 0.00 0.00 178.44 177.94 2roq h ALA 163 N 1.61 -0.71 -0.11 1.53 0.00 -1.08 0.16 119.26 120.66 2roq h ALA 163 Ca 0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 2roq h ALA 163 Cb 0.73 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2roq h ALA 163 CO -0.49 -1.01 -0.47 1.15 0.00 0.00 0.00 179.25 178.43 2roq h THR 164 N -0.46 1.33 0.45 0.00 2.02 -0.65 -2.07 112.91 113.54 2roq h THR 164 Ca 0.08 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 2roq h THR 164 Cb 0.63 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2roq h THR 164 CO -0.52 0.50 -0.27 -0.07 0.37 0.00 0.00 175.52 175.53 2roq h LEU 165 N 0.21 -0.69 -2.28 2.58 4.07 0.88 -2.03 115.31 118.05 2roq h LEU 165 Ca 0.01 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2roq h LEU 165 Cb 0.91 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2roq h LEU 165 CO 0.07 -0.42 0.00 -0.07 -1.08 0.00 0.00 178.44 176.94 2roq h LEU 166 N -0.67 0.00 0.55 1.67 -0.00 -0.73 0.25 115.31 116.38 2roq h LEU 166 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 2roq h LEU 166 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2roq h LEU 166 CO 0.06 0.00 -0.26 -0.33 -0.00 0.00 0.00 178.44 177.91 2roq h GLU 167 N 0.00 -0.71 0.00 1.13 3.07 -0.94 -2.53 114.58 114.61 2roq h GLU 167 Ca 0.00 0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 2roq h GLU 167 Cb 0.22 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2roq h GLU 167 CO 0.00 -0.47 -0.76 1.96 -1.40 0.00 0.00 179.01 178.34 2roq h GLN 168 N -0.88 0.00 -2.37 2.33 4.20 -1.32 -3.41 115.11 113.66 2roq h GLN 168 Ca -0.08 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.17 2roq h GLN 168 Cb 0.56 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.99 2roq h GLN 168 CO 0.12 0.73 -0.75 -1.14 -0.67 0.00 0.00 178.83 177.13 2roq s GLN 169 N -2.84 0.45 0.41 1.46 0.74 0.89 -4.99 119.66 115.78 2roq s GLN 169 Ca 0.02 -0.81 0.20 0.00 0.05 0.00 0.00 55.36 54.83 2roq s GLN 169 Cb 0.09 -0.99 0.87 0.00 1.10 0.00 0.00 33.01 34.08 2roq s GLN 169 CO 0.78 -1.13 1.83 -1.00 -0.55 0.00 0.00 175.29 175.22 2roq h PRO 170 N 7.55 0.00 -2.32 1.67 0.13 -1.59 -3.19 132.00 134.26 2roq h PRO 170 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 2roq h PRO 170 Cb 1.02 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.92 2roq h PRO 170 CO 0.30 0.31 -0.07 -3.38 -0.23 0.00 0.00 178.00 174.92 2roq s HIS 171 N -3.84 -0.72 0.00 1.56 -3.43 -1.26 -4.86 115.29 102.74 2roq s HIS 171 Ca -0.01 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.87 2roq s HIS 171 Cb 0.12 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 2roq s HIS 171 CO 0.67 -0.36 0.00 0.41 -2.00 0.00 0.00 174.74 173.46 2roq n GLY 172 N 3.33 3.23 3.62 -1.38 0.00 -1.26 -5.08 105.19 107.66 2roq n GLY 172 Ca -0.17 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.24 3.71 0.48 1.61 0.04 -1.24 -4.52 135.00 132.84 2roq s PRO 173 Ca 0.00 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.69 2roq s PRO 173 Cb 0.00 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 2roq s PRO 173 CO 0.00 -1.40 0.30 0.71 0.04 0.00 0.00 177.00 176.65 2roq s TYR 174 N 5.48 2.16 0.01 0.56 2.02 -1.26 -4.26 117.35 122.06 2roq s TYR 174 Ca 0.72 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 2roq s TYR 174 Cb -0.24 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2roq s TYR 174 CO 0.30 -0.14 -0.01 -0.47 -1.57 0.00 0.00 175.55 173.66 2roq s TYR 175 N -2.67 0.12 0.02 2.71 6.14 0.10 -3.01 117.35 120.76 2roq s TYR 175 Ca 0.37 -0.17 0.01 0.00 0.64 0.00 0.00 57.07 57.91 2roq s TYR 175 Cb -0.00 -0.08 -0.02 0.00 0.42 0.00 0.00 41.96 42.28 2roq s TYR 175 CO 0.21 -0.06 -0.04 -0.51 0.64 0.00 0.00 175.55 175.80 2roq s LEU 176 N -0.48 2.19 -0.06 6.97 1.43 -1.22 -0.43 118.68 127.09 2roq s LEU 176 Ca -0.05 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2roq s LEU 176 Cb -0.03 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.17 2roq s LEU 176 CO -0.00 -0.21 -0.12 -0.22 0.23 0.00 0.00 176.35 176.03 2roq s LEU 177 N -1.18 2.89 0.04 1.79 2.96 -1.22 -0.11 118.68 123.84 2roq s LEU 177 Ca -0.11 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 2roq s LEU 177 Cb -0.08 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2roq s LEU 177 CO -0.01 0.34 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.35 2roq s GLY 178 N -0.69 1.56 -0.17 7.98 0.00 0.77 -3.45 107.32 113.32 2roq s GLY 178 Ca 0.10 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 2roq s GLY 178 CO 0.01 -1.07 0.35 -0.47 0.00 0.00 0.00 173.10 171.92 2roq s TYR 179 N -0.91 -0.64 0.00 1.90 5.04 -1.26 -3.05 117.35 118.43 2roq s TYR 179 Ca 0.14 1.24 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 2roq s TYR 179 Cb -0.10 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.35 2roq s TYR 179 CO 0.05 -0.45 0.00 0.43 -1.34 0.00 0.00 175.55 174.24 2roq n SER 180 N 5.37 0.00 -0.45 4.32 7.64 -1.26 -2.28 113.62 126.96 2roq n SER 180 Ca -0.07 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.92 2roq n SER 180 Cb 0.50 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.78 2roq n SER 180 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2roq n LEU 181 N 0.00 1.82 -0.15 -3.43 7.94 -1.26 -4.35 117.00 117.57 2roq n LEU 181 Ca 0.00 -0.65 0.28 0.00 -1.11 0.00 0.00 56.01 54.53 2roq n LEU 181 Cb 0.00 -0.03 0.72 0.00 0.53 0.00 0.00 43.42 44.64 2roq n LEU 181 CO 0.00 0.34 1.26 1.23 -1.11 0.00 0.00 177.39 179.11 2roq h GLY 182 N 4.86 0.00 0.68 -3.96 0.00 -1.76 -1.57 103.07 101.33 2roq h GLY 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 0.00 -0.27 -1.33 0.00 0.00 0.00 176.54 174.94 2roq h GLY 183 N 0.00 -0.61 0.95 4.60 0.00 -1.76 0.49 103.07 106.74 2roq h GLY 183 Ca 0.41 0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.92 2roq h GLY 183 CO -0.00 -0.24 -0.39 -0.84 0.00 0.00 0.00 176.54 175.07 2roq h THR 184 N -0.57 1.32 0.64 4.70 2.02 -1.65 -2.13 112.91 117.24 2roq h THR 184 Ca -0.01 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 2roq h THR 184 Cb 0.53 1.82 0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2roq h THR 184 CO -0.07 0.50 -0.31 -0.07 0.37 0.00 0.00 175.52 175.95 2roq h LEU 185 N 0.33 -0.73 -0.66 2.58 -0.00 -1.30 -1.83 115.31 113.70 2roq h LEU 185 Ca 0.01 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.05 2roq h LEU 185 Cb 0.98 0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 41.74 2roq h LEU 185 CO 0.09 -0.50 0.16 0.00 -0.00 0.00 0.00 178.44 178.19 2roq h ALA 186 N -1.56 0.82 -1.00 1.53 0.00 -0.14 0.29 119.26 119.20 2roq h ALA 186 Ca -0.09 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2roq h ALA 186 Cb 0.66 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 186 CO 0.14 -0.30 0.63 1.96 0.00 0.00 0.00 179.25 181.68 2roq h GLN 187 N 0.29 0.94 0.53 0.00 1.08 -1.34 0.38 115.11 117.00 2roq h GLN 187 Ca 0.35 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 2roq h GLN 187 Cb 0.55 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2roq h GLN 187 CO -0.43 0.62 -0.26 0.78 -0.95 0.00 0.00 178.83 178.59 2roq h GLY 188 N 0.97 -0.75 0.71 3.46 0.00 -0.07 -2.13 103.07 105.26 2roq h GLY 188 Ca 0.50 0.28 0.03 0.00 0.00 0.00 0.00 47.33 48.14 2roq h GLY 188 CO -0.26 -0.27 0.05 -2.22 0.00 0.00 0.00 176.54 173.84 2roq h ILE 189 N -0.99 0.88 -0.20 2.60 2.04 -1.23 -2.08 117.51 118.53 2roq h ILE 189 Ca -0.07 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2roq h ILE 189 Cb 0.55 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2roq h ILE 189 CO 0.12 0.03 -0.31 0.00 0.00 0.00 0.00 178.15 177.99 2roq h ALA 190 N 1.19 -0.30 -0.61 1.87 0.00 -0.33 0.19 119.26 121.26 2roq h ALA 190 Ca 0.12 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.18 2roq h ALA 190 Cb 0.12 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2roq h ALA 190 CO -0.15 -0.76 0.41 0.00 0.00 0.00 0.00 179.25 178.74 2roq h ALA 191 N 0.54 2.05 -0.38 0.00 0.00 -1.13 -0.14 119.26 120.20 2roq h ALA 191 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2roq h ALA 191 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2roq h ALA 191 CO -0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 179.25 178.64 2roq h ARG 192 N 0.39 0.62 0.10 0.00 -0.00 -0.27 -2.12 114.38 113.09 2roq h ARG 192 Ca 0.29 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.98 59.61 2roq h ARG 192 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.49 2roq h ARG 192 CO -0.08 0.65 -0.05 -0.07 0.00 0.00 0.00 179.97 180.42 2roq h LEU 193 N 0.58 -0.12 -2.10 3.04 3.38 -0.34 0.27 115.31 120.02 2roq h LEU 193 Ca 0.12 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.72 2roq h LEU 193 Cb 0.39 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2roq h LEU 193 CO 0.01 0.47 0.31 0.03 0.09 0.00 0.00 178.44 179.36 2roq h ARG 194 N -0.79 0.00 0.00 1.13 2.47 -1.34 0.93 114.38 116.77 2roq h ARG 194 Ca -0.01 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.59 2roq h ARG 194 Cb 0.57 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 2roq h ARG 194 CO 0.02 0.00 -1.79 0.00 0.56 0.00 0.00 179.97 178.76 2roq n ALA 195 N -2.36 2.30 0.26 0.04 0.00 -0.80 -4.11 120.51 115.83 2roq n ALA 195 Ca 0.04 -0.65 0.16 0.00 0.00 0.00 0.00 53.44 52.99 2roq n ALA 195 Cb 0.46 -0.74 0.53 0.00 0.00 0.00 0.00 19.45 19.71 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 3.08 0.20 -3.46 114.38 114.20 2roq h ARG 196 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2roq h ARG 196 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2roq h ARG 196 CO 0.02 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2roq n GLY 197 N 0.34 1.63 3.50 0.04 0.00 -0.74 -5.06 105.19 104.90 2roq n GLY 197 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2roq n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roq s GLU 198 N -0.07 1.81 -0.27 1.61 0.41 -0.61 -4.99 118.70 116.60 2roq s GLU 198 Ca 0.00 -1.25 -0.10 0.00 -0.41 0.00 0.00 54.97 53.22 2roq s GLU 198 Cb 0.00 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.22 2roq s GLU 198 CO 0.00 0.46 0.15 1.14 -0.49 0.00 0.00 175.26 176.51 2roq s GLN 199 N -2.38 3.84 -0.20 1.61 -2.07 -1.26 -3.54 119.66 115.66 2roq s GLN 199 Ca 0.20 -0.38 -0.26 0.00 -1.82 0.00 0.00 55.36 53.10 2roq s GLN 199 Cb -0.10 -3.54 -0.00 0.00 -1.09 0.00 0.00 33.01 28.28 2roq s GLN 199 CO 0.11 -0.18 0.90 0.14 -1.32 0.00 0.00 175.29 174.94 2roq s VAL 200 N 1.71 4.80 0.03 3.63 -7.23 -1.26 -3.63 120.40 118.45 2roq s VAL 200 Ca 0.07 1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 61.74 2roq s VAL 200 Cb -0.16 -4.19 -0.17 0.00 0.56 0.00 0.00 36.38 32.42 2roq s VAL 200 CO 0.08 -0.06 1.34 0.00 -0.31 0.00 0.00 175.10 176.16 2roq h ALA 201 N 7.44 -0.45 -1.35 1.32 0.00 -1.82 -3.43 119.26 120.97 2roq h ALA 201 Ca -0.25 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.64 2roq h ALA 201 Cb 1.10 0.18 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 2roq h ALA 201 CO 0.89 -0.63 0.56 0.12 0.00 0.00 0.00 179.25 180.19 2roq s PHE 202 N -5.02 -0.35 -0.17 0.00 2.19 -1.17 -4.71 117.98 108.75 2roq s PHE 202 Ca -0.15 0.73 -0.00 0.00 0.33 0.00 0.00 56.93 57.84 2roq s PHE 202 Cb 0.03 0.27 0.04 0.00 -1.31 0.00 0.00 43.02 42.04 2roq s PHE 202 CO 0.57 -0.17 -0.07 -0.51 1.83 0.00 0.00 175.22 176.86 2roq s LEU 203 N 0.97 1.73 0.21 6.12 1.02 -1.23 -3.44 118.68 124.06 2roq s LEU 203 Ca -0.05 -0.67 -0.28 0.00 0.02 0.00 0.00 54.13 53.14 2roq s LEU 203 Cb -0.04 -1.00 -0.08 0.00 0.02 0.00 0.00 46.19 45.09 2roq s LEU 203 CO -0.12 -0.16 0.88 -0.83 0.02 0.00 0.00 176.35 176.14 2roq s GLY 204 N 1.58 3.04 -0.03 -3.19 0.00 0.84 -3.35 107.32 106.21 2roq s GLY 204 Ca 0.01 0.53 -0.00 0.00 0.00 0.00 0.00 44.72 45.26 2roq s GLY 204 CO -0.08 1.09 0.02 1.08 0.00 0.00 0.00 173.10 175.21 2roq s LEU 205 N -1.11 1.01 0.34 0.66 1.02 -0.82 -0.16 118.68 119.62 2roq s LEU 205 Ca 0.39 0.01 -0.08 0.00 0.02 0.00 0.00 54.13 54.48 2roq s LEU 205 Cb -0.25 -0.15 -0.06 0.00 0.02 0.00 0.00 46.19 45.75 2roq s LEU 205 CO 0.30 -0.13 0.66 -0.22 0.02 0.00 0.00 176.35 176.97 2roq s LEU 206 N 1.19 3.96 0.48 1.79 2.96 -1.17 -2.71 118.68 125.18 2roq s LEU 206 Ca -0.08 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2roq s LEU 206 Cb -0.13 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.79 2roq s LEU 206 CO -0.02 -0.28 0.00 -0.67 -1.32 0.00 0.00 176.35 174.06 2roq n ASP 207 N -1.03 -6.41 -4.89 3.68 2.03 -0.99 -4.22 116.55 104.72 2roq n ASP 207 Ca 0.00 1.31 -0.29 0.00 0.52 0.00 0.00 54.79 56.34 2roq n ASP 207 Cb 0.54 -3.87 0.09 0.00 -0.72 0.00 0.00 41.12 37.17 2roq n ASP 207 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2roq s THR 208 N -4.56 2.00 -0.29 5.18 -1.32 -0.71 -4.31 115.64 111.63 2roq s THR 208 Ca 0.00 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 2roq s THR 208 Cb 0.00 -2.98 0.16 0.00 -1.51 0.00 0.00 72.50 68.17 2roq s THR 208 CO 0.00 0.00 1.13 0.86 -2.21 0.00 0.00 174.62 174.40 2roq s TRP 209 N -3.55 -0.36 0.97 9.09 -0.11 -1.26 -4.98 118.94 118.73 2roq s TRP 209 Ca 0.62 0.79 -0.12 0.00 1.22 0.00 0.00 56.10 58.61 2roq s TRP 209 Cb -0.11 0.33 0.17 0.00 -1.50 0.00 0.00 33.47 32.36 2roq s TRP 209 CO 0.49 -0.18 1.09 -1.25 -4.62 0.00 0.00 176.95 172.49 2roq s PRO 210 N 0.72 0.64 0.00 5.86 0.04 -1.26 -4.92 135.00 136.08 2roq s PRO 210 Ca -0.02 0.60 0.14 0.00 0.04 0.00 0.00 61.00 61.76 2roq s PRO 210 Cb -0.04 -1.75 0.65 0.00 0.04 0.00 0.00 34.50 33.40 2roq s PRO 210 CO -0.12 -2.61 1.44 -0.35 0.04 0.00 0.00 177.00 175.40 2roq n PRO 211 N -4.10 0.07 -4.88 0.56 -0.04 -1.26 -4.64 135.00 120.70 2roq n PRO 211 Ca 0.06 0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.47 2roq n PRO 211 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.85 1.78 -0.62 0.54 -1.05 -1.26 -4.30 118.70 110.94 2roq s GLU 212 Ca 0.09 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 53.97 2roq s GLU 212 Cb 0.09 -1.58 -0.13 0.00 -0.44 0.00 0.00 34.13 32.08 2roq s GLU 212 CO 0.25 0.29 2.45 2.41 0.95 0.00 0.00 175.26 181.61 2roq n THR 213 N 3.02 0.01 -3.78 1.83 -1.04 -1.26 -4.79 114.28 108.27 2roq n THR 213 Ca -0.17 -0.39 0.02 0.00 -2.04 0.00 0.00 64.05 61.47 2roq n THR 213 Cb 0.53 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 2roq n THR 213 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2roq s GLN 214 N 7.98 0.32 0.05 -2.82 -0.21 -1.26 -4.97 119.66 118.75 2roq s GLN 214 Ca 1.14 -0.19 -0.00 0.00 0.02 0.00 0.00 55.36 56.32 2roq s GLN 214 Cb -0.72 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.36 2roq s GLN 214 CO 0.40 -0.15 -0.03 -0.80 -2.12 0.00 0.00 175.29 172.58 2roq s ASN 215 N -3.38 0.51 0.28 5.90 -0.87 -1.26 -4.68 114.94 111.44 2roq s ASN 215 Ca 0.21 -0.89 0.01 0.00 -1.57 0.00 0.00 52.86 50.63 2roq s ASN 215 Cb 0.03 0.16 0.62 0.00 -0.02 0.00 0.00 41.25 42.04 2roq s ASN 215 CO -0.03 -0.51 1.75 4.11 -2.57 0.00 0.00 177.10 179.84 2roq h TRP 216 N 3.47 0.78 0.00 2.20 0.09 -2.01 -2.48 115.95 118.01 2roq h TRP 216 Ca -0.34 0.04 -0.34 0.00 0.09 0.00 0.00 58.89 58.34 2roq h TRP 216 Cb 1.16 -0.21 -0.06 0.00 0.08 0.00 0.00 29.16 30.12 2roq h TRP 216 CO 0.57 0.13 -2.25 1.04 0.09 0.00 0.00 178.44 178.01 2roq n GLN 217 N -4.90 0.68 -1.88 0.12 1.13 -1.26 -4.97 117.38 106.30 2roq n GLN 217 Ca 0.19 0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 55.17 2roq n GLN 217 Cb 0.52 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 2roq n GLN 217 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2roq n GLU 218 N -2.78 -1.74 -3.64 -1.09 2.13 -0.94 -2.08 120.64 110.50 2roq n GLU 218 Ca -0.29 0.65 -0.28 0.00 0.66 0.00 0.00 57.16 57.89 2roq n GLU 218 Cb 1.12 -5.05 0.04 0.00 0.27 0.00 0.00 31.44 27.81 2roq n GLU 218 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2roq n LYS 219 N -2.28 -1.24 0.00 5.31 4.81 -1.26 -4.78 118.16 118.71 2roq n LYS 219 Ca -0.13 0.58 0.10 0.00 -0.87 0.00 0.00 58.31 57.99 2roq n LYS 219 Cb 0.50 -4.06 0.54 0.00 0.02 0.00 0.00 35.03 32.03 2roq n LYS 219 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2roq n GLU 220 N -3.80 0.42 -3.25 1.64 -0.58 -0.88 -4.87 120.64 109.31 2roq n GLU 220 Ca -0.11 0.06 -0.16 0.00 -0.42 0.00 0.00 57.16 56.53 2roq n GLU 220 Cb 0.59 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 30.03 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2roq n ALA 221 N -1.18 -1.20 0.00 0.62 0.00 -1.26 -4.66 120.51 112.82 2roq n ALA 221 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2roq n ALA 221 Cb 0.13 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.08 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 -2.21 0.00 0.06 0.00 5.15 -1.26 -4.96 115.26 112.04 2roq n ASN 222 Ca -0.08 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.02 2roq n ASN 222 Cb 0.58 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.96 2roq n ASN 222 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2roq h GLY 223 N 0.00 0.00 -7.48 8.20 0.00 -1.92 -3.45 103.07 98.42 2roq h GLY 223 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 2roq h GLY 223 CO 0.00 0.00 1.25 1.08 0.00 0.00 0.00 176.54 178.87 2roq s LEU 224 N -4.22 3.27 0.37 3.11 1.43 -1.26 -4.93 118.68 116.45 2roq s LEU 224 Ca 0.05 0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 53.32 2roq s LEU 224 Cb 0.13 -2.53 -0.12 0.00 0.03 0.00 0.00 46.19 43.71 2roq s LEU 224 CO 0.74 -2.75 1.35 0.47 0.23 0.00 0.00 176.35 176.40 2roq n ASP 225 N 14.60 3.08 0.00 2.29 9.92 -1.26 -4.85 116.55 140.33 2roq n ASP 225 Ca 0.31 1.20 0.08 0.00 -0.53 0.00 0.00 54.79 55.85 2roq n ASP 225 Cb 0.52 -1.53 0.42 0.00 -0.64 0.00 0.00 41.12 39.88 2roq n ASP 225 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2roq n PRO 226 N 0.44 0.35 0.08 -0.24 -0.04 -1.26 -2.83 135.00 131.50 2roq n PRO 226 Ca 0.04 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2roq n PRO 226 Cb 0.37 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.11 0.54 5.08 -1.98 -2.24 114.58 116.29 2roq h GLU 227 Ca 0.00 -0.68 -0.23 0.00 -1.00 0.00 0.00 59.36 57.45 2roq h GLU 227 Cb 0.07 0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2roq h GLU 227 CO 0.00 1.32 -0.84 -0.24 -1.00 0.00 0.00 179.01 178.24 2roq h VAL 228 N -0.14 1.28 -0.27 3.13 3.04 -1.91 -1.12 116.25 120.27 2roq h VAL 228 Ca -0.18 -2.04 -0.08 0.00 -1.01 0.00 0.00 66.70 63.40 2roq h VAL 228 Cb 1.82 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 33.18 2roq h VAL 228 CO 0.20 0.64 -0.13 -0.07 -1.01 0.00 0.00 177.57 177.21 2roq h LEU 229 N 0.50 0.58 -0.92 3.16 3.38 -1.68 -2.13 115.31 118.19 2roq h LEU 229 Ca -0.07 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 2roq h LEU 229 Cb 1.48 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2roq h LEU 229 CO 0.17 0.85 -0.53 0.00 0.09 0.00 0.00 178.44 179.03 2roq h ALA 230 N 0.74 1.10 0.09 1.53 0.00 -1.47 -2.09 119.26 119.16 2roq h ALA 230 Ca 0.06 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2roq h ALA 230 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2roq h ALA 230 CO 0.04 0.66 -0.04 0.93 0.00 0.00 0.00 179.25 180.84 2roq h GLU 231 N 0.00 -0.12 -0.62 0.00 4.39 -1.09 0.23 114.58 117.37 2roq h GLU 231 Ca -0.01 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2roq h GLU 231 Cb 0.95 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 2roq h GLU 231 CO 0.07 0.26 0.13 -0.84 -1.16 0.00 0.00 179.01 177.47 2roq h ILE 232 N -0.53 1.25 -0.09 3.13 3.07 -1.40 0.52 117.51 123.46 2roq h ILE 232 Ca -0.01 -0.93 -0.05 0.00 1.55 0.00 0.00 64.86 65.42 2roq h ILE 232 Cb 0.44 0.63 -0.00 0.00 -0.27 0.00 0.00 36.82 37.62 2roq h ILE 232 CO 0.02 0.35 -0.13 -1.13 -1.05 0.00 0.00 178.15 176.21 2roq h ASN 233 N 0.94 0.27 -0.52 2.16 -1.24 -1.38 -2.13 115.58 113.68 2roq h ASN 233 Ca 0.20 -0.52 -0.03 0.00 0.71 0.00 0.00 56.30 56.66 2roq h ASN 233 Cb 0.36 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2roq h ASN 233 CO 0.00 0.74 0.22 0.03 -1.29 0.00 0.00 177.43 177.13 2roq h ARG 234 N -0.19 0.76 -0.14 6.67 3.08 -0.46 0.15 114.38 124.26 2roq h ARG 234 Ca 0.01 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2roq h ARG 234 Cb 0.68 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2roq h ARG 234 CO 0.03 0.66 -0.11 0.93 -1.07 0.00 0.00 179.97 180.42 2roq h GLU 235 N 0.69 0.21 0.05 0.04 3.07 -0.93 0.75 114.58 118.47 2roq h GLU 235 Ca 0.17 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2roq h GLU 235 Cb 0.18 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2roq h GLU 235 CO -0.02 0.33 -0.02 -0.09 -1.40 0.00 0.00 179.01 177.81 2roq h ARG 236 N 0.21 -0.07 -0.74 2.33 1.12 -0.91 -2.00 114.38 114.31 2roq h ARG 236 Ca 0.04 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.98 2roq h ARG 236 Cb 0.32 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 2roq h ARG 236 CO 0.02 0.29 0.49 1.05 -3.11 0.00 0.00 179.97 178.71 2roq h GLU 237 N -0.99 0.76 0.00 0.20 4.11 -0.69 -0.72 114.58 117.25 2roq h GLU 237 Ca -0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.23 2roq h GLU 237 Cb 0.39 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2roq h GLU 237 CO 0.01 0.51 -0.68 0.00 0.07 0.00 0.00 179.01 178.92 2roq h ALA 238 N 1.60 0.74 0.00 1.06 0.00 -0.96 0.67 119.26 122.37 2roq h ALA 238 Ca 0.32 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2roq h ALA 238 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2roq h ALA 238 CO -0.11 0.85 -0.34 0.35 0.00 0.00 0.00 179.25 180.00 2roq h PHE 239 N 0.00 0.00 0.00 0.00 3.57 -0.36 -1.65 116.94 118.50 2roq h PHE 239 Ca -0.01 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2roq h PHE 239 Cb 1.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 2roq h PHE 239 CO 0.00 0.34 -2.04 1.28 -2.23 0.00 0.00 178.31 175.66 2roq n LEU 240 N -3.55 0.00 -0.55 0.59 4.32 -0.80 -4.23 117.00 112.78 2roq n LEU 240 Ca -0.00 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 2roq n LEU 240 Cb 0.48 0.13 0.45 0.00 -1.62 0.00 0.00 43.42 42.86 2roq n LEU 240 CO 0.36 0.13 0.83 0.00 -1.22 0.00 0.00 177.39 177.49 2roq n ALA 241 N -2.35 2.55 0.00 -1.18 0.00 0.22 -3.44 120.51 116.32 2roq n ALA 241 Ca -0.11 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 52.94 2roq n ALA 241 Cb 0.70 -1.11 -0.17 0.00 0.00 0.00 0.00 19.45 18.87 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 242 N 0.34 2.82 -0.46 0.00 0.00 -0.63 -4.76 120.51 117.83 2roq n ALA 242 Ca 0.18 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2roq n ALA 242 Cb 0.38 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2roq n ALA 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2roq n GLN 243 N -2.26 0.00 -3.32 0.00 1.13 -1.25 -5.08 117.38 106.61 2roq n GLN 243 Ca -0.04 0.01 0.03 0.00 -1.94 0.00 0.00 57.00 55.06 2roq n GLN 243 Cb 0.57 -0.28 -0.03 0.00 0.11 0.00 0.00 30.24 30.61 2roq n GLN 243 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2roq s GLN 244 N -0.54 0.34 0.00 -1.09 -1.52 -1.22 -5.10 119.66 110.52 2roq s GLN 244 Ca 0.00 0.74 0.00 0.00 -1.95 0.00 0.00 55.36 54.15 2roq s GLN 244 Cb 0.00 0.43 0.00 0.00 -0.22 0.00 0.00 33.01 33.22 2roq s GLN 244 CO 0.00 -0.22 0.00 0.41 -0.25 0.00 0.00 175.29 175.23 2roq n GLY 245 N 5.23 -0.04 2.48 3.09 0.00 -1.25 -4.69 105.19 110.00 2roq n GLY 245 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.19 -5.07 -0.01 1.61 7.64 -1.26 -4.88 113.62 110.46 2roq n SER 246 Ca 0.00 0.37 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 2roq n SER 246 Cb 0.00 -4.10 -0.00 0.00 -1.01 0.00 0.00 64.21 59.10 2roq n SER 246 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 247 N -2.70 0.13 -3.66 0.44 -1.04 -1.26 -4.98 114.28 101.21 2roq n THR 247 Ca -0.18 0.47 -0.28 0.00 -2.04 0.00 0.00 64.05 62.02 2roq n THR 247 Cb 0.58 -1.58 0.01 0.00 -1.82 0.00 0.00 70.33 67.52 2roq n THR 247 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2roq n SER 248 N -2.67 -4.41 0.00 8.00 7.64 -1.26 -4.66 113.62 116.27 2roq n SER 248 Ca -0.01 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2roq n SER 248 Cb 0.05 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 2roq n SER 248 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2roq n THR 249 N -4.37 0.00 0.03 0.44 -2.24 -1.26 -4.92 114.28 101.97 2roq n THR 249 Ca 0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2roq n THR 249 Cb 0.54 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2roq h GLU 250 N 0.00 -0.13 -0.58 -0.78 4.57 -1.98 -2.13 114.58 113.55 2roq h GLU 250 Ca 0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 2roq h GLU 250 Cb 0.00 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.53 2roq h GLU 250 CO 0.00 -0.08 0.04 1.25 -1.18 0.00 0.00 179.01 179.04 2roq h LEU 251 N -0.52 -0.17 0.69 1.64 6.46 -1.95 0.29 115.31 121.75 2roq h LEU 251 Ca -0.01 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2roq h LEU 251 Cb 0.10 0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2roq h LEU 251 CO 0.02 -0.07 -0.33 -0.26 -0.62 0.00 0.00 178.44 177.19 2roq h PHE 252 N 0.16 -0.86 -0.83 1.25 -1.00 -1.92 -1.89 116.94 111.86 2roq h PHE 252 Ca 0.31 -0.02 0.24 0.00 2.81 0.00 0.00 57.97 61.30 2roq h PHE 252 Cb 0.48 0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.28 2roq h PHE 252 CO -0.31 -0.53 0.60 1.15 -1.61 0.00 0.00 178.31 177.60 2roq h THR 253 N -0.93 0.59 0.00 -1.55 2.02 -1.09 0.35 112.91 112.29 2roq h THR 253 Ca -0.09 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2roq h THR 253 Cb 0.71 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2roq h THR 253 CO 0.16 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.46 2roq n THR 254 N -4.30 0.00 -0.05 3.16 -1.04 1.00 -1.90 114.28 111.14 2roq n THR 254 Ca 0.17 1.16 -0.09 0.00 -2.04 0.00 0.00 64.05 63.25 2roq n THR 254 Cb 0.88 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 2roq n THR 254 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2roq h ILE 255 N 0.00 1.00 -0.75 12.58 2.04 -1.09 0.10 117.51 131.40 2roq h ILE 255 Ca 0.00 -0.08 0.17 0.00 1.00 0.00 0.00 64.86 65.94 2roq h ILE 255 Cb 0.00 0.74 -0.12 0.00 -0.74 0.00 0.00 36.82 36.70 2roq h ILE 255 CO 0.00 0.04 0.16 -0.08 0.00 0.00 0.00 178.15 178.27 2roq h GLU 256 N 0.24 0.23 0.02 2.37 4.81 -0.44 0.23 114.58 122.05 2roq h GLU 256 Ca 0.09 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 2roq h GLU 256 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2roq h GLU 256 CO -0.06 0.15 -0.93 0.78 -0.73 0.00 0.00 179.01 178.23 2roq h GLY 257 N 0.24 0.17 0.74 1.92 0.00 -0.99 -2.14 103.07 103.02 2roq h GLY 257 Ca 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2roq h GLY 257 CO -0.54 0.30 -0.14 3.43 0.00 0.00 0.00 176.54 179.59 2roq h ASN 258 N 0.08 -0.33 0.09 0.19 2.35 0.11 -1.81 115.58 116.26 2roq h ASN 258 Ca -0.05 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.45 2roq h ASN 258 Cb 1.59 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 2roq h ASN 258 CO 0.14 -0.02 -0.33 0.10 -1.65 0.00 0.00 177.43 175.66 2roq h TYR 259 N -0.65 0.41 -0.09 1.19 -0.00 -0.75 -2.11 116.97 114.96 2roq h TYR 259 Ca -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 58.73 58.59 2roq h TYR 259 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.09 2roq h TYR 259 CO 0.01 0.65 0.06 0.00 -0.00 0.00 0.00 178.16 178.87 2roq h ALA 260 N 1.35 0.12 -0.24 0.10 0.00 -1.33 0.26 119.26 119.52 2roq h ALA 260 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 260 Cb 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2roq h ALA 260 CO 0.06 -0.36 -0.30 -0.44 0.00 0.00 0.00 179.25 178.21 2roq h ASP 261 N 0.08 0.50 -0.27 0.00 3.32 -1.26 -1.06 116.42 117.73 2roq h ASP 261 Ca 0.03 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 2roq h ASP 261 Cb 0.05 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2roq h ASP 261 CO -0.01 0.78 -0.27 0.00 -1.72 0.00 0.00 179.24 178.02 2roq h ALA 262 N 1.26 0.39 0.00 3.45 0.00 -1.09 0.34 119.26 123.61 2roq h ALA 262 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 262 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2roq h ALA 262 CO 0.06 0.39 0.00 1.55 0.00 0.00 0.00 179.25 181.25 2roq n VAL 263 N -4.30 0.31 0.09 0.00 3.14 0.90 -1.72 118.33 116.75 2roq n VAL 263 Ca -0.04 0.03 0.08 0.00 -2.96 0.00 0.00 64.34 61.45 2roq n VAL 263 Cb 0.46 -0.64 -0.12 0.00 -1.06 0.00 0.00 33.84 32.48 2roq n VAL 263 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2roq n ARG 264 N -1.62 0.66 -0.00 1.45 1.74 -0.41 -4.38 116.66 114.10 2roq n ARG 264 Ca 0.06 -0.13 0.10 0.00 -0.77 0.00 0.00 57.85 57.11 2roq n ARG 264 Cb 0.31 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2roq n LEU 265 N -1.98 0.90 0.14 0.55 -0.00 0.12 -4.21 117.00 112.52 2roq n LEU 265 Ca -0.02 -0.44 0.11 0.00 -0.00 0.00 0.00 56.01 55.66 2roq n LEU 265 Cb 0.40 -0.01 0.53 0.00 -0.00 0.00 0.00 43.42 44.34 2roq n LEU 265 CO 0.34 0.22 0.82 0.00 -0.00 0.00 0.00 177.39 178.78 2roq n LEU 266 N -1.57 0.56 -0.00 1.47 -0.00 -0.70 -0.78 117.00 115.98 2roq n LEU 266 Ca 0.03 0.72 -0.08 0.00 -0.00 0.00 0.00 56.01 56.68 2roq n LEU 266 Cb 0.35 -0.73 -0.14 0.00 -0.00 0.00 0.00 43.42 42.90 2roq n LEU 266 CO 0.43 -0.80 -0.38 0.00 -0.00 0.00 0.00 177.39 176.64 2roq h THR 267 N 0.00 1.03 0.00 1.47 1.03 -1.86 -3.34 112.91 111.24 2roq h THR 267 Ca 0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 66.41 63.55 2roq h THR 267 Cb 0.12 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 2roq h THR 267 CO 0.00 0.60 -0.94 0.41 -0.01 0.00 0.00 175.52 175.58 2roq n THR 268 N -3.12 0.13 -0.55 0.00 -1.04 -0.54 -4.81 114.28 104.34 2roq n THR 268 Ca -0.13 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.05 61.40 2roq n THR 268 Cb 1.03 0.29 0.21 0.00 -1.82 0.00 0.00 70.33 70.03 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n ALA 269 N -1.75 -3.63 -3.32 2.41 0.00 0.04 -5.05 120.51 109.22 2roq n ALA 269 Ca 0.03 -1.33 -0.13 0.00 0.00 0.00 0.00 53.44 52.01 2roq n ALA 269 Cb 0.41 -1.57 -0.13 0.00 0.00 0.00 0.00 19.45 18.16 2roq n ALA 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2roq s HIS 270 N -2.24 -0.17 0.35 0.00 3.76 -1.26 -4.88 115.29 110.84 2roq s HIS 270 Ca 0.58 0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 55.83 2roq s HIS 270 Cb -0.15 0.00 0.04 0.00 1.11 0.00 0.00 32.58 33.59 2roq s HIS 270 CO 0.61 -0.12 0.65 -1.13 -0.85 0.00 0.00 174.74 173.91 2roq n SER 271 N 3.50 -1.88 -3.73 1.40 3.41 -1.26 -4.87 113.62 110.19 2roq n SER 271 Ca -0.18 -2.50 -0.12 0.00 -0.26 0.00 0.00 58.87 55.81 2roq n SER 271 Cb 0.56 3.19 -0.12 0.00 -0.26 0.00 0.00 64.21 67.59 2roq n SER 271 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2roq s VAL 272 N -2.33 -0.02 0.83 -3.33 1.01 -1.26 -4.47 120.40 110.83 2roq s VAL 272 Ca 0.17 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2roq s VAL 272 Cb -0.04 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 35.95 2roq s VAL 272 CO 0.13 0.03 1.09 -2.16 0.00 0.00 0.00 175.10 174.19 2roq s PRO 273 N 0.94 1.78 0.10 2.72 0.04 -1.26 -4.17 135.00 135.14 2roq s PRO 273 Ca -0.06 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.01 2roq s PRO 273 Cb -0.07 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2roq s PRO 273 CO -0.07 -1.93 -0.10 -0.59 0.04 0.00 0.00 177.00 174.36 2roq s PHE 274 N -2.92 1.05 -0.88 0.56 -0.71 -1.26 -4.82 117.98 109.00 2roq s PHE 274 Ca 0.62 -0.70 -0.06 0.00 -1.04 0.00 0.00 56.93 55.75 2roq s PHE 274 Cb -0.17 -0.57 0.22 0.00 -1.21 0.00 0.00 43.02 41.28 2roq s PHE 274 CO 0.56 -0.01 0.79 -0.51 -1.34 0.00 0.00 175.22 174.71 2roq s ASP 275 N -2.58 6.30 0.00 1.98 1.11 -1.26 -4.93 116.67 117.29 2roq s ASP 275 Ca 0.07 -3.32 0.00 0.00 0.18 0.00 0.00 52.55 49.48 2roq s ASP 275 Cb -0.01 -2.03 0.00 0.00 1.07 0.00 0.00 42.92 41.95 2roq s ASP 275 CO -0.01 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.64 2roq n GLY 276 N 2.96 5.02 3.17 0.21 0.00 -1.26 -4.81 105.19 110.48 2roq n GLY 276 Ca 0.18 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 4.63 3.01 0.18 1.61 2.20 -1.26 -3.17 119.74 126.94 2roq s LYS 277 Ca 0.00 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 54.55 2roq s LYS 277 Cb 0.00 -2.73 0.06 0.00 -1.51 0.00 0.00 37.83 33.64 2roq s LYS 277 CO 0.00 -0.25 0.61 0.00 -0.36 0.00 0.00 175.35 175.35 2roq s ALA 278 N 1.32 -1.48 -0.09 3.13 0.00 -1.23 -3.47 121.76 119.95 2roq s ALA 278 Ca 0.04 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 2roq s ALA 278 Cb -0.14 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2roq s ALA 278 CO -0.09 -0.82 0.09 0.99 0.00 0.00 0.00 175.76 175.93 2roq s THR 279 N -3.79 5.03 -0.09 0.00 2.01 -1.21 -3.45 115.64 114.14 2roq s THR 279 Ca 0.03 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2roq s THR 279 Cb -0.02 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.32 2roq s THR 279 CO -0.09 0.57 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.11 2roq s LEU 280 N -1.11 1.31 0.03 4.42 1.98 -1.23 -1.94 118.68 122.15 2roq s LEU 280 Ca 0.16 -0.29 -0.00 0.00 -2.89 0.00 0.00 54.13 51.11 2roq s LEU 280 Cb -0.12 -0.80 -0.04 0.00 0.66 0.00 0.00 46.19 45.89 2roq s LEU 280 CO 0.05 -0.07 0.16 -0.36 -1.89 0.00 0.00 176.35 174.24 2roq s PHE 281 N 1.37 3.43 -0.27 5.38 0.40 -1.10 -3.43 117.98 123.75 2roq s PHE 281 Ca -0.02 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2roq s PHE 281 Cb -0.14 -1.75 0.07 0.00 0.51 0.00 0.00 43.02 41.72 2roq s PHE 281 CO -0.04 0.59 -0.05 0.14 0.70 0.00 0.00 175.22 176.56 2roq s VAL 282 N -1.39 1.93 -1.10 -0.44 -7.23 -1.21 -1.73 120.40 109.23 2roq s VAL 282 Ca 0.30 -1.65 -0.23 0.00 -1.81 0.00 0.00 61.98 58.58 2roq s VAL 282 Cb -0.13 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 2roq s VAL 282 CO 0.22 -0.21 1.93 0.00 -0.31 0.00 0.00 175.10 176.73 2roq s ALA 283 N 1.17 1.81 0.54 1.32 0.00 -1.26 -3.34 121.76 122.01 2roq s ALA 283 Ca -0.03 -1.98 0.23 0.00 0.00 0.00 0.00 51.96 50.18 2roq s ALA 283 Cb -0.19 -4.64 1.44 0.00 0.00 0.00 0.00 23.12 19.73 2roq s ALA 283 CO -0.07 -5.04 2.09 0.93 0.00 0.00 0.00 175.76 173.67 2roq h GLU 284 N 10.13 0.00 -0.62 0.00 3.07 -1.36 0.30 114.58 126.11 2roq h GLU 284 Ca 0.19 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.23 2roq h GLU 284 Cb 0.96 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 2roq h GLU 284 CO 1.23 0.00 0.50 0.00 -1.40 0.00 0.00 179.01 179.34 2roq h ARG 285 N 0.00 0.00 0.00 2.33 2.47 -1.72 -2.41 114.38 115.04 2roq h ARG 285 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2roq h ARG 285 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2roq h ARG 285 CO -0.00 0.00 -0.71 2.41 0.56 0.00 0.00 179.97 182.23 2roq n THR 286 N -4.09 0.00 -3.96 2.04 -1.04 -0.36 -4.94 114.28 101.93 2roq n THR 286 Ca 0.12 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 2roq n THR 286 Cb 0.74 0.61 -0.12 0.00 -1.82 0.00 0.00 70.33 69.75 2roq n THR 286 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2roq s LEU 287 N -2.61 3.51 -0.25 -4.42 2.96 0.90 -5.07 118.68 113.70 2roq s LEU 287 Ca 0.00 -0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.54 2roq s LEU 287 Cb 0.00 -1.91 0.12 0.00 0.50 0.00 0.00 46.19 44.90 2roq s LEU 287 CO 0.00 0.07 1.00 -1.10 -1.32 0.00 0.00 176.35 175.00 2roq s GLN 288 N 0.99 0.55 -1.80 1.98 -0.21 -1.26 -4.24 119.66 115.68 2roq s GLN 288 Ca 0.03 0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.93 2roq s GLN 288 Cb -0.14 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.14 2roq s GLN 288 CO 0.03 -0.10 0.00 -1.91 -2.12 0.00 0.00 175.29 171.19 2roq n GLU 289 N 1.89 -1.67 0.00 2.91 2.13 -1.26 -4.79 120.64 119.85 2roq n GLU 289 Ca -0.12 1.01 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2roq n GLU 289 Cb 0.56 -5.58 0.00 0.00 0.27 0.00 0.00 31.44 26.69 2roq n GLU 289 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2roq n GLY 290 N -0.80 0.00 3.77 8.31 0.00 -1.26 -5.05 105.19 110.17 2roq n GLY 290 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.90 4.65 -0.50 1.61 -1.94 -1.26 -5.01 119.30 114.94 2roq s MET 291 Ca 0.00 1.42 0.07 0.00 -1.71 0.00 0.00 55.69 55.47 2roq s MET 291 Cb 0.00 -2.96 0.27 0.00 2.01 0.00 0.00 34.83 34.15 2roq s MET 291 CO 0.00 0.32 0.66 0.45 -0.01 0.00 0.00 175.02 176.45 2roq n SER 292 N 0.85 1.99 -2.61 3.03 2.88 -1.26 -5.11 113.62 113.38 2roq n SER 292 Ca 0.01 -3.09 -0.03 0.00 -1.33 0.00 0.00 58.87 54.42 2roq n SER 292 Cb 0.49 -0.64 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 2roq n SER 292 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 293 N 0.96 -1.24 -0.67 -1.46 -0.04 -1.26 -5.03 135.00 126.27 2roq n PRO 293 Ca 0.26 -0.17 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2roq n PRO 293 Cb 0.48 -0.16 -0.01 0.00 -0.04 0.00 0.00 33.50 33.78 2roq n PRO 293 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2roq n GLU 294 N -1.84 0.00 -2.51 0.54 0.28 -1.26 -4.99 120.64 110.87 2roq n GLU 294 Ca 0.01 -0.72 -0.13 0.00 -0.16 0.00 0.00 57.16 56.16 2roq n GLU 294 Cb 0.06 -0.14 -0.01 0.00 1.43 0.00 0.00 31.44 32.78 2roq n GLU 294 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2roq n ARG 295 N 0.06 -2.34 -3.76 3.44 0.00 -1.26 -4.92 116.66 107.87 2roq n ARG 295 Ca -0.02 0.60 -0.11 0.00 -0.00 0.00 0.00 57.85 58.31 2roq n ARG 295 Cb 0.67 -5.21 -0.07 0.00 0.00 0.00 0.00 32.46 27.85 2roq n ARG 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2roq s ALA 296 N -2.64 -0.63 -0.02 5.13 0.00 -1.26 -5.07 121.76 117.27 2roq s ALA 296 Ca 0.03 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.67 2roq s ALA 296 Cb -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 23.12 23.27 2roq s ALA 296 CO 0.04 -0.43 1.22 -1.49 0.00 0.00 0.00 175.76 175.09 2roq h TRP 297 N 3.14 0.17 -3.08 0.00 6.55 -1.99 -3.50 115.95 117.23 2roq h TRP 297 Ca -0.32 -0.06 0.31 0.00 0.95 0.00 0.00 58.89 59.77 2roq h TRP 297 Cb 1.20 -0.03 -0.17 0.00 -0.86 0.00 0.00 29.16 29.30 2roq h TRP 297 CO 0.45 0.67 -1.12 0.45 -1.05 0.00 0.00 178.44 177.83 2roq n SER 298 N -4.70 -6.90 -4.45 -3.49 2.88 -1.26 -4.38 113.62 91.32 2roq n SER 298 Ca -0.08 1.28 -0.30 0.00 -1.33 0.00 0.00 58.87 58.44 2roq n SER 298 Cb 0.34 -4.36 -0.06 0.00 -0.75 0.00 0.00 64.21 59.38 2roq n SER 298 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 299 N -4.06 1.57 0.08 -1.46 -0.04 -1.26 -4.17 135.00 125.67 2roq n PRO 299 Ca -0.08 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 2roq n PRO 299 Cb 0.60 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 2roq n PRO 299 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2roq n TRP 300 N 13.50 -1.47 -4.22 0.54 -0.00 -1.26 -5.12 117.44 119.40 2roq n TRP 300 Ca 0.46 0.26 -0.29 0.00 -0.00 0.00 0.00 57.50 57.92 2roq n TRP 300 Cb 0.46 0.54 -0.10 0.00 -0.00 0.00 0.00 31.31 32.22 2roq n TRP 300 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2roq s ILE 301 N -1.57 3.41 -0.01 5.87 1.09 -1.26 -4.96 121.20 123.78 2roq s ILE 301 Ca 0.00 -1.30 -0.23 0.00 -1.10 0.00 0.00 60.65 58.02 2roq s ILE 301 Cb 0.00 -2.62 -0.13 0.00 -1.06 0.00 0.00 42.46 38.65 2roq s ILE 301 CO 0.00 0.08 0.99 0.00 -0.10 0.00 0.00 174.94 175.90 2roq h ALA 302 N 3.47 -0.69 -1.74 9.38 0.00 -1.88 -3.48 119.26 124.33 2roq h ALA 302 Ca -0.49 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.30 2roq h ALA 302 Cb 1.17 0.27 -0.24 0.00 0.00 0.00 0.00 17.79 18.98 2roq h ALA 302 CO 0.53 -0.68 0.26 -1.21 0.00 0.00 0.00 179.25 178.15 2roq s GLU 303 N -4.23 0.56 0.27 0.00 0.41 -1.19 -5.07 118.70 109.45 2roq s GLU 303 Ca -0.12 0.86 -0.21 0.00 -0.41 0.00 0.00 54.97 55.08 2roq s GLU 303 Cb 0.01 0.17 0.02 0.00 -1.78 0.00 0.00 34.13 32.56 2roq s GLU 303 CO 0.40 -0.10 0.70 -0.48 -0.49 0.00 0.00 175.26 175.30 2roq s LEU 304 N 1.08 -0.24 -0.37 1.80 0.05 -1.26 -3.47 118.68 116.26 2roq s LEU 304 Ca -0.06 -0.60 0.02 0.00 0.05 0.00 0.00 54.13 53.54 2roq s LEU 304 Cb -0.04 2.68 0.11 0.00 -2.05 0.00 0.00 46.19 46.89 2roq s LEU 304 CO -0.13 -1.33 0.13 -0.62 -0.55 0.00 0.00 176.35 173.86 2roq s ASP 305 N -2.92 4.22 -0.09 1.48 -1.08 -1.22 -5.03 116.67 112.03 2roq s ASP 305 Ca 0.11 -2.17 -0.13 0.00 -0.52 0.00 0.00 52.55 49.84 2roq s ASP 305 Cb -0.06 -1.23 -0.05 0.00 -1.46 0.00 0.00 42.92 40.12 2roq s ASP 305 CO 0.06 -0.35 0.30 -0.63 0.52 0.00 0.00 175.17 175.07 2roq s ILE 306 N 0.90 5.25 -0.07 4.11 1.01 -1.26 -3.53 121.20 127.62 2roq s ILE 306 Ca 0.13 0.58 0.02 0.00 0.00 0.00 0.00 60.65 61.38 2roq s ILE 306 Cb -0.20 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2roq s ILE 306 CO -0.11 0.51 -0.12 -0.47 0.00 0.00 0.00 174.94 174.75 2roq s TYR 307 N -0.46 1.46 -0.28 3.97 5.04 -1.22 -5.04 117.35 120.82 2roq s TYR 307 Ca 0.19 -0.54 -0.20 0.00 -2.44 0.00 0.00 57.07 54.08 2roq s TYR 307 Cb -0.14 -1.07 -0.02 0.00 0.35 0.00 0.00 41.96 41.08 2roq s TYR 307 CO 0.07 -0.28 0.60 1.03 -1.34 0.00 0.00 175.55 175.63 2roq s ARG 308 N 0.67 3.98 -0.13 4.97 0.52 -1.26 -3.34 118.95 124.36 2roq s ARG 308 Ca -0.15 0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 55.31 2roq s ARG 308 Cb -0.16 -3.69 0.04 0.00 0.52 0.00 0.00 34.95 31.66 2roq s ARG 308 CO 0.04 -0.49 0.32 -1.14 0.02 0.00 0.00 175.30 174.05 2roq s GLN 309 N 2.51 0.34 -0.92 3.54 2.00 -1.21 -5.02 119.66 120.90 2roq s GLN 309 Ca 0.24 0.53 -0.24 0.00 -2.00 0.00 0.00 55.36 53.88 2roq s GLN 309 Cb -0.15 0.08 0.04 0.00 0.80 0.00 0.00 33.01 33.78 2roq s GLN 309 CO 0.10 -0.09 1.44 0.16 -0.50 0.00 0.00 175.29 176.40 2roq s ASP 310 N 0.61 6.28 0.13 6.67 -4.77 -1.26 -1.26 116.67 123.08 2roq s ASP 310 Ca -0.04 -1.05 -0.13 0.00 -3.30 0.00 0.00 52.55 48.03 2roq s ASP 310 Cb -0.05 -2.57 0.02 0.00 -1.09 0.00 0.00 42.92 39.23 2roq s ASP 310 CO -0.04 -1.71 0.34 0.00 0.70 0.00 0.00 175.17 174.47 2roq s ALA 312 N -3.86 3.37 0.13 0.00 0.00 -1.26 -3.88 121.76 116.26 2roq s ALA 312 Ca 0.07 -1.42 -0.28 0.00 0.00 0.00 0.00 51.96 50.33 2roq s ALA 312 Cb 0.02 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2roq s ALA 312 CO -0.08 0.37 1.59 0.45 0.00 0.00 0.00 175.76 178.09 2roq h HIS 313 N 2.13 -1.10 0.00 0.00 3.86 -1.99 0.36 115.15 118.42 2roq h HIS 313 Ca -0.47 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2roq h HIS 313 Cb 1.22 0.50 0.00 0.00 1.06 0.00 0.00 27.41 30.19 2roq h HIS 313 CO 0.61 -0.45 0.00 1.33 0.86 0.00 0.00 177.93 180.28 2roq n VAL 314 N -5.43 1.00 -0.00 2.45 0.24 -1.26 -2.22 118.33 113.10 2roq n VAL 314 Ca -0.04 0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.40 2roq n VAL 314 Cb 0.35 -1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 31.56 2roq n VAL 314 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2roq h ASP 315 N 0.00 0.10 1.43 -1.34 3.32 -0.91 -3.35 116.42 115.68 2roq h ASP 315 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2roq h ASP 315 Cb 0.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2roq h ASP 315 CO 0.00 1.16 -0.46 0.40 -1.72 0.00 0.00 179.24 178.62 2roq h ILE 316 N 0.02 0.00 -0.33 0.35 2.04 -0.07 -3.25 117.51 116.26 2roq h ILE 316 Ca -0.27 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2roq h ILE 316 Cb 1.99 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2roq h ILE 316 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2roq n ILE 317 N -2.75 1.06 -2.52 -0.67 0.13 -0.94 -4.53 119.36 109.14 2roq n ILE 317 Ca 0.02 -0.64 -0.27 0.00 -1.10 0.00 0.00 62.75 60.77 2roq n ILE 317 Cb 0.52 -0.13 0.01 0.00 -0.84 0.00 0.00 39.64 39.20 2roq n ILE 317 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 2roq s SER 318 N -0.64 5.96 0.00 9.51 0.01 -1.23 -4.96 113.70 122.35 2roq s SER 318 Ca 0.27 0.83 0.15 0.00 1.31 0.00 0.00 55.95 58.51 2roq s SER 318 Cb 0.18 -1.99 0.75 0.00 0.21 0.00 0.00 66.02 65.17 2roq s SER 318 CO 0.12 -0.80 1.40 -0.81 0.41 0.00 0.00 173.24 173.56 2roq n PRO 319 N -2.41 0.22 -0.03 12.44 -0.04 -1.26 -2.55 135.00 141.37 2roq n PRO 319 Ca 0.02 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2roq n PRO 319 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2roq n PRO 319 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 320 N -0.04 -1.03 0.07 0.55 0.00 -1.26 -4.00 105.19 99.48 2roq n GLY 320 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2roq n GLY 320 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2roq h THR 321 N 0.00 1.53 -0.94 2.61 2.02 -1.76 -1.97 112.91 114.40 2roq h THR 321 Ca -0.33 -1.70 0.19 0.00 0.77 0.00 0.00 66.41 65.35 2roq h THR 321 Cb 2.00 2.66 -0.08 0.00 -1.74 0.00 0.00 68.15 70.99 2roq h THR 321 CO 0.06 0.43 0.61 -0.26 0.37 0.00 0.00 175.52 176.73 2roq h PHE 322 N -0.76 0.74 0.00 3.16 0.04 -1.76 0.32 116.94 118.69 2roq h PHE 322 Ca -0.00 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 2roq h PHE 322 Cb 0.72 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 2roq h PHE 322 CO 0.18 0.19 -0.61 1.05 -0.60 0.00 0.00 178.31 178.53 2roq h GLU 323 N 0.56 0.00 -0.13 1.51 4.11 -1.69 -3.31 114.58 115.63 2roq h GLU 323 Ca 0.51 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.76 2roq h GLU 323 Cb 1.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.30 2roq h GLU 323 CO -0.24 0.48 -0.60 0.87 0.07 0.00 0.00 179.01 179.58 2roq h LYS 324 N 0.00 0.64 -2.89 1.06 1.57 0.34 -3.34 116.57 113.95 2roq h LYS 324 Ca -0.02 -0.51 -0.80 0.00 -1.87 0.00 0.00 60.65 57.45 2roq h LYS 324 Cb 1.41 0.10 -0.25 0.00 0.08 0.00 0.00 32.23 33.57 2roq h LYS 324 CO 0.06 1.13 1.06 0.44 -0.57 0.00 0.00 179.45 181.58 2roq n ILE 325 N -4.12 5.32 0.00 1.86 -5.35 0.06 -4.76 119.36 112.37 2roq n ILE 325 Ca -0.08 -5.67 0.00 0.00 -0.27 0.00 0.00 62.75 56.73 2roq n ILE 325 Cb 0.65 -2.04 0.00 0.00 -1.74 0.00 0.00 39.64 36.52 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 1.33 -0.51 0.00 3.28 0.00 -1.26 -3.78 105.19 104.26 2roq n GLY 326 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.32 0.15 -0.04 1.61 -0.04 -1.26 -1.55 135.00 131.55 2roq n PRO 327 Ca 0.00 0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2roq n PRO 327 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2roq n PRO 327 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2roq n ILE 328 N -1.34 1.43 -0.03 0.52 0.00 -1.26 -3.72 119.36 114.96 2roq n ILE 328 Ca 0.06 -0.80 -0.09 0.00 0.00 0.00 0.00 62.75 61.92 2roq n ILE 328 Cb 0.13 -0.77 -0.14 0.00 0.00 0.00 0.00 39.64 38.86 2roq n ILE 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2roq n ILE 329 N -2.90 1.59 0.05 9.51 3.06 -1.00 -3.11 119.36 126.56 2roq n ILE 329 Ca -0.21 -0.80 -0.05 0.00 -2.50 0.00 0.00 62.75 59.18 2roq n ILE 329 Cb 1.05 -0.98 0.14 0.00 0.54 0.00 0.00 39.64 40.38 2roq n ILE 329 CO 0.00 0.00 0.00 0.08 -2.50 0.00 0.00 176.55 174.13 2roq h ARG 330 N 0.00 0.37 0.24 9.51 -0.00 -1.47 -2.12 114.38 120.90 2roq h ARG 330 Ca -0.33 -0.21 -0.31 0.00 -0.00 0.00 0.00 59.98 59.13 2roq h ARG 330 Cb 2.05 0.01 0.04 0.00 -0.00 0.00 0.00 29.97 32.07 2roq h ARG 330 CO 0.07 0.78 -1.36 0.00 -0.00 0.00 0.00 179.97 179.46 2roq h ALA 331 N 1.19 -0.15 -0.79 0.08 0.00 -1.72 -2.13 119.26 115.74 2roq h ALA 331 Ca 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 2roq h ALA 331 Cb 0.97 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2roq h ALA 331 CO 0.08 0.63 0.37 1.15 0.00 0.00 0.00 179.25 181.48 2roq h THR 332 N 0.05 1.25 0.00 0.00 2.02 -1.54 0.90 112.91 115.59 2roq h THR 332 Ca -0.24 -0.72 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 2roq h THR 332 Cb 2.07 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2roq h THR 332 CO 0.26 0.30 -0.63 -0.07 0.37 0.00 0.00 175.52 175.75 2roq h LEU 333 N 1.12 0.00 0.00 2.58 3.38 -1.49 -2.12 115.31 118.78 2roq h LEU 333 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2roq h LEU 333 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2roq h LEU 333 CO -0.03 0.63 -0.10 -1.13 0.09 0.00 0.00 178.44 177.89 2roq h ASN 334 N 0.00 0.00 0.21 -0.43 -0.00 -0.95 -2.13 115.58 112.29 2roq h ASN 334 Ca -0.01 -0.01 -0.34 0.00 -0.00 0.00 0.00 56.30 55.94 2roq h ASN 334 Cb 1.43 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.69 2roq h ASN 334 CO 0.08 0.01 -2.10 -2.11 -0.00 0.00 0.00 177.43 173.31 2roq n ARG 335 N -2.70 0.67 0.13 6.67 1.85 0.27 -3.59 116.66 119.95 2roq n ARG 335 Ca 0.04 0.12 0.12 0.00 -1.00 0.00 0.00 57.85 57.13 2roq n ARG 335 Cb 0.49 -1.64 0.09 0.00 -1.05 0.00 0.00 32.46 30.35 2roq n ARG 335 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2roq h LEU 336 N 0.00 0.00 0.00 2.89 8.10 -1.44 -3.32 115.31 121.54 2roq h LEU 336 Ca -0.44 -0.03 -0.23 0.00 0.11 0.00 0.00 57.88 57.29 2roq h LEU 336 Cb 2.15 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 42.33 2roq h LEU 336 CO 0.05 0.02 -1.34 1.05 -4.11 0.00 0.00 178.44 174.11 2roq h GLU 337 N 0.00 0.00 -3.74 0.17 -0.00 -1.55 -3.48 114.58 105.97 2roq h GLU 337 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 2roq h GLU 337 Cb 0.95 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.58 2roq h GLU 337 CO 0.00 0.61 -0.26 -1.58 -0.00 0.00 0.00 179.01 177.79 2roq s HIS 338 N -2.72 0.22 -0.08 2.06 5.04 -1.24 -5.09 115.29 113.49 2roq s HIS 338 Ca -0.02 -0.59 -0.33 0.00 -1.54 0.00 0.00 55.06 52.58 2roq s HIS 338 Cb 0.09 0.04 -0.11 0.00 0.04 0.00 0.00 32.58 32.63 2roq s HIS 338 CO 0.81 -0.72 1.92 0.72 -2.34 0.00 0.00 174.74 175.14 2roq n HIS 339 N -0.21 2.34 0.25 3.88 8.25 -1.26 -4.36 115.22 124.10 2roq n HIS 339 Ca -0.10 -0.08 0.17 0.00 -0.26 0.00 0.00 57.72 57.45 2roq n HIS 339 Cb 0.63 -2.69 0.88 0.00 1.12 0.00 0.00 29.99 29.92 2roq n HIS 339 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2roq h HIS 340 N 9.81 0.00 -2.91 4.41 2.07 -1.86 -3.48 115.15 123.19 2roq h HIS 340 Ca -0.48 0.00 0.31 0.00 -2.85 0.00 0.00 60.37 57.35 2roq h HIS 340 Cb 1.27 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.11 2roq h HIS 340 CO 0.90 0.00 -0.87 1.58 -3.07 0.00 0.00 177.93 176.48 2roq n HIS 341 N -3.75 -3.24 -3.90 6.12 -0.00 -1.26 -5.00 115.22 104.20 2roq n HIS 341 Ca -0.00 1.73 -0.19 0.00 0.46 0.00 0.00 57.72 59.71 2roq n HIS 341 Cb 0.23 -2.94 -0.01 0.00 -0.12 0.00 0.00 29.99 27.15 2roq n HIS 341 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2roq n HIS 342 N -4.04 -0.58 -1.97 1.57 1.44 -1.26 -5.24 115.22 105.15 2roq n HIS 342 Ca -0.05 -1.64 0.00 0.00 -2.01 0.00 0.00 57.72 54.02 2roq n HIS 342 Cb 0.58 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.39 2roq n HIS 342 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14