#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 -1.98 0.00 4.03 -0.00 -1.26 -5.17 117.00 112.62 2roq n LEU 2 Ca 0.00 -2.09 -0.06 0.00 -0.00 0.00 0.00 56.01 53.86 2roq n LEU 2 Cb 0.00 0.65 0.05 0.00 -0.00 0.00 0.00 43.42 44.12 2roq n LEU 2 CO 0.00 1.63 0.12 -0.81 -0.00 0.00 0.00 177.39 178.33 2roq n PRO 3 N 1.97 -1.46 -3.87 1.47 -0.04 -1.26 -5.07 135.00 126.75 2roq n PRO 3 Ca 0.08 -0.36 -0.21 0.00 -0.04 0.00 0.00 63.50 62.97 2roq n PRO 3 Cb 0.66 -0.34 -0.03 0.00 -0.04 0.00 0.00 33.50 33.75 2roq n PRO 3 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2roq s GLU 4 N -3.51 2.92 0.09 0.54 8.01 -1.26 -5.03 118.70 120.46 2roq s GLU 4 Ca 0.15 -1.12 0.18 0.00 0.01 0.00 0.00 54.97 54.19 2roq s GLU 4 Cb -0.01 -2.60 -0.11 0.00 -4.31 0.00 0.00 34.13 27.09 2roq s GLU 4 CO 0.11 0.22 0.84 1.28 0.01 0.00 0.00 175.26 177.72 2roq n LEU 5 N -1.36 0.80 -2.70 1.80 4.77 -1.26 -5.05 117.00 114.01 2roq n LEU 5 Ca -0.04 0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 2roq n LEU 5 Cb 0.59 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2roq n LEU 5 CO 0.43 0.07 -0.57 0.29 -1.33 0.00 0.00 177.39 176.27 2roq n LYS 6 N -2.81 -3.87 -3.07 3.23 5.02 -1.26 -4.87 118.16 110.52 2roq n LYS 6 Ca -0.08 3.01 -0.44 0.00 -2.02 0.00 0.00 58.31 58.78 2roq n LYS 6 Cb 0.77 -4.85 -0.00 0.00 -0.02 0.00 0.00 35.03 30.93 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq s ALA 7 N -1.03 4.21 0.02 7.82 0.00 -1.26 -4.95 121.76 126.56 2roq s ALA 7 Ca -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 51.96 48.32 2roq s ALA 7 Cb 0.01 -3.94 -0.00 0.00 0.00 0.00 0.00 23.12 19.19 2roq s ALA 7 CO 0.73 -2.59 0.01 1.04 0.00 0.00 0.00 175.76 174.94 2roq n GLN 8 N 4.74 0.68 -3.63 0.00 3.00 -1.26 -5.19 117.38 115.72 2roq n GLN 8 Ca 0.32 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 57.04 2roq n GLN 8 Cb 0.42 0.10 -0.04 0.00 0.00 0.00 0.00 30.24 30.72 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2roq s ALA 9 N -2.06 -0.96 -1.20 -1.58 0.00 -1.26 -5.03 121.76 109.68 2roq s ALA 9 Ca 0.01 -0.03 0.14 0.00 0.00 0.00 0.00 51.96 52.08 2roq s ALA 9 Cb 0.00 0.71 0.67 0.00 0.00 0.00 0.00 23.12 24.50 2roq s ALA 9 CO 0.01 -0.65 1.43 -0.35 0.00 0.00 0.00 175.76 176.20 2roq n PRO 10 N -0.23 0.10 -1.29 0.00 -0.04 -1.26 -4.27 135.00 128.01 2roq n PRO 10 Ca -0.16 0.20 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 2roq n PRO 10 Cb 0.64 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 3.71 3.59 0.55 0.00 -1.26 -4.19 105.19 107.55 2roq n GLY 11 Ca 0.05 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 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 3.37 2.05 0.96 1.61 3.03 -1.26 -4.73 118.95 123.97 2roq s ARG 12 Ca 0.54 -1.63 -0.13 0.00 2.03 0.00 0.00 55.73 56.54 2roq s ARG 12 Cb 0.14 -1.97 0.03 0.00 -1.03 0.00 0.00 34.95 32.12 2roq s ARG 12 CO -0.03 0.28 0.32 0.00 -1.13 0.00 0.00 175.30 174.75 2roq n ALA 13 N -0.84 -2.82 -1.00 7.88 0.00 -1.26 -3.35 120.51 119.12 2roq n ALA 13 Ca -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.75 2roq n ALA 13 Cb 0.60 -1.75 0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.46 -1.08 -3.24 0.00 -0.04 -1.26 -4.49 135.00 123.42 2roq n PRO 14 Ca 0.06 -0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 2roq n PRO 14 Cb 0.54 -0.04 0.05 0.00 -0.04 0.00 0.00 33.50 34.01 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 -1.60 -5.66 -0.02 0.54 4.81 -1.26 -4.92 118.16 110.05 2roq n LYS 15 Ca 0.00 0.65 0.06 0.00 -0.87 0.00 0.00 58.31 58.15 2roq n LYS 15 Cb 0.02 -5.10 -0.16 0.00 0.02 0.00 0.00 35.03 29.81 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2roq n ALA 16 N -4.17 2.47 0.00 3.14 0.00 -1.26 -4.97 120.51 115.72 2roq n ALA 16 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2roq n ALA 16 Cb 0.56 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 1.37 0.68 0.11 0.00 0.00 -1.26 -4.84 105.19 101.25 2roq n GLY 17 Ca -0.10 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.85 2roq n GLY 17 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2roq h SER 18 N 0.00 0.00 1.05 1.61 0.02 -1.97 -3.30 113.55 110.95 2roq h SER 18 Ca 0.00 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2roq h SER 18 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2roq h SER 18 CO 0.00 0.05 -1.01 -0.33 -1.14 0.00 0.00 176.83 174.39 2roq h GLU 19 N 0.00 0.00 -0.92 3.45 5.08 -1.89 -3.35 114.58 116.95 2roq h GLU 19 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2roq h GLU 19 Cb 0.86 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.01 2roq h GLU 19 CO 0.00 0.31 0.51 1.15 -1.00 0.00 0.00 179.01 179.98 2roq h THR 20 N 0.00 0.71 0.00 1.13 2.02 -1.92 0.36 112.91 115.21 2roq h THR 20 Ca -0.08 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.74 2roq h THR 20 Cb 1.42 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2roq h THR 20 CO 0.04 0.12 -0.57 0.16 0.37 0.00 0.00 175.52 175.64 2roq h ILE 21 N 0.68 1.30 0.16 3.11 3.07 -1.78 -2.16 117.51 121.89 2roq h ILE 21 Ca 0.52 -2.05 -0.01 0.00 1.55 0.00 0.00 64.86 64.87 2roq h ILE 21 Cb 0.77 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 2roq h ILE 21 CO -0.38 0.56 -0.08 0.40 -1.05 0.00 0.00 178.15 177.61 2roq h ILE 22 N 0.00 0.00 -0.90 0.16 1.08 -0.81 -2.03 117.51 115.01 2roq h ILE 22 Ca -0.01 -0.70 0.12 0.00 -0.39 0.00 0.00 64.86 63.88 2roq h ILE 22 Cb 1.09 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 2roq h ILE 22 CO 0.07 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 178.06 2roq h ALA 23 N -1.20 1.33 0.00 1.87 0.00 -0.56 0.29 119.26 120.99 2roq h ALA 23 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2roq h ALA 23 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2roq h ALA 23 CO 0.04 0.10 -0.46 0.00 0.00 0.00 0.00 179.25 178.92 2roq h ALA 24 N 1.51 1.18 0.00 0.00 0.00 -1.51 -2.05 119.26 118.39 2roq h ALA 24 Ca 0.45 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 24 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2roq h ALA 24 CO -0.28 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.27 2roq h ALA 25 N 1.54 1.07 0.00 0.00 0.00 -0.19 -1.84 119.26 119.85 2roq h ALA 25 Ca -0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2roq h ALA 25 Cb 0.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2roq h ALA 25 CO 0.06 0.35 -0.71 0.74 0.00 0.00 0.00 179.25 179.69 2roq h PHE 26 N 0.00 0.00 0.00 0.00 0.04 -1.06 -2.13 116.94 113.79 2roq h PHE 26 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2roq h PHE 26 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2roq h PHE 26 CO 0.00 1.14 0.00 0.66 -0.60 0.00 0.00 178.31 179.51 2roq h SER 27 N -1.00 0.00 0.01 2.17 4.64 -1.37 -1.47 113.55 116.53 2roq h SER 27 Ca -0.19 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.76 2roq h SER 27 Cb 1.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 2roq h SER 27 CO -0.11 0.00 -2.12 -1.20 -0.87 0.00 0.00 176.83 172.52 2roq n SER 28 N -2.38 1.96 0.34 4.97 7.64 -0.69 -1.80 113.62 123.66 2roq n SER 28 Ca 0.00 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.01 2roq n SER 28 Cb 0.14 -0.79 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 2roq n SER 28 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2roq h LEU 29 N -0.70 -0.74 -0.15 -3.43 3.38 -1.20 -3.05 115.31 109.42 2roq h LEU 29 Ca -0.55 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2roq h LEU 29 Cb 1.63 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2roq h LEU 29 CO -0.25 -0.47 -0.01 0.18 0.09 0.00 0.00 178.44 177.98 2roq n LEU 30 N -4.70 0.24 0.00 1.67 4.77 -0.57 -4.87 117.00 113.54 2roq n LEU 30 Ca -0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2roq n LEU 30 Cb 0.35 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2roq n LEU 30 CO 0.26 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2roq n GLY 31 N 1.07 2.38 0.00 -0.72 0.00 -1.15 -4.70 105.19 102.07 2roq n GLY 31 Ca 0.22 0.00 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 0.00 0.00 -4.72 0.00 -0.08 -1.26 -3.31 116.55 107.17 2roq n ASP 33 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 2roq n ASP 33 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 2roq n ASP 33 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2roq n VAL 34 N 0.00 4.13 0.07 5.18 0.24 -1.26 -4.94 118.33 121.75 2roq n VAL 34 Ca 0.00 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.81 2roq n VAL 34 Cb 0.00 -1.55 -0.00 0.00 -1.47 0.00 0.00 33.84 30.82 2roq n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n GLN 35 N -1.25 4.34 0.00 7.34 6.02 -1.26 -4.91 117.38 127.66 2roq n GLN 35 Ca 0.12 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2roq n GLN 35 Cb 0.46 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 31.01 2roq n GLN 35 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2roq n ASP 36 N -0.70 0.00 -0.59 1.08 5.68 -1.26 -4.81 116.55 115.96 2roq n ASP 36 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2roq n ASP 36 Cb 0.03 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.99 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2roq n ALA 37 N -1.31 -0.42 -1.13 2.12 0.00 -1.21 -4.31 120.51 114.25 2roq n ALA 37 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 37 Cb 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 0.00 0.93 -4.79 0.00 2.03 -1.26 -1.15 116.55 112.31 2roq n ASP 38 Ca -0.06 -1.99 -0.38 0.00 0.52 0.00 0.00 54.79 52.89 2roq n ASP 38 Cb 0.34 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.85 3.43 -0.12 -1.67 0.00 -1.26 -4.69 121.76 116.59 2roq s ALA 39 Ca 0.07 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 2roq s ALA 39 Cb 0.06 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2roq s ALA 39 CO 0.01 0.31 0.47 -0.51 0.00 0.00 0.00 175.76 176.03 2roq s ASP 40 N -1.37 6.67 0.38 0.00 1.11 -1.26 -1.56 116.67 120.64 2roq s ASP 40 Ca 0.39 0.79 0.23 0.00 0.18 0.00 0.00 52.55 54.14 2roq s ASP 40 Cb -0.20 -2.28 1.35 0.00 1.07 0.00 0.00 42.92 42.86 2roq s ASP 40 CO 0.24 0.00 1.59 0.15 1.18 0.00 0.00 175.17 178.33 2roq h PHE 41 N 6.74 0.78 0.00 4.23 3.04 -1.93 -0.50 116.94 129.30 2roq h PHE 41 Ca -0.41 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2roq h PHE 41 Cb 1.18 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 2roq h PHE 41 CO 0.62 -0.41 -0.06 0.74 -2.02 0.00 0.00 178.31 177.18 2roq h PHE 42 N 0.04 -0.17 0.00 0.41 0.04 -1.90 0.43 116.94 115.78 2roq h PHE 42 Ca 0.84 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.62 2roq h PHE 42 Cb 2.30 0.08 0.00 0.00 2.20 0.00 0.00 35.95 40.53 2roq h PHE 42 CO -0.01 -0.06 0.00 0.00 -0.60 0.00 0.00 178.31 177.64 2roq n ALA 43 N -2.55 1.25 -0.08 2.45 0.00 -0.40 -1.49 120.51 119.69 2roq n ALA 43 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2roq n ALA 43 Cb 0.04 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.28 3.92 -2.57 0.00 4.77 -0.24 -4.87 117.00 115.73 2roq n LEU 44 Ca -0.00 -2.01 -0.14 0.00 -0.03 0.00 0.00 56.01 53.83 2roq n LEU 44 Cb 0.10 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2roq n LEU 44 CO 0.13 0.53 0.12 0.61 -1.33 0.00 0.00 177.39 177.45 2roq n GLY 45 N 0.18 -0.06 3.77 -0.72 0.00 -0.56 -4.95 105.19 102.86 2roq n GLY 45 Ca 0.19 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2roq n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2roq s GLY 46 N -3.54 1.67 -0.09 -0.02 0.00 0.14 -4.81 107.32 100.66 2roq s GLY 46 Ca 0.20 0.22 -0.32 0.00 0.00 0.00 0.00 44.72 44.82 2roq s GLY 46 CO 0.48 0.57 1.41 -1.58 0.00 0.00 0.00 173.10 173.98 2roq s HIS 47 N -2.93 -0.00 0.25 1.90 2.46 -1.26 -3.44 115.29 112.27 2roq s HIS 47 Ca 0.61 -0.01 0.35 0.00 0.47 0.00 0.00 55.06 56.47 2roq s HIS 47 Cb -0.17 0.51 1.83 0.00 -0.13 0.00 0.00 32.58 34.62 2roq s HIS 47 CO 0.56 -0.03 2.06 0.00 -2.47 0.00 0.00 174.74 174.85 2roq h ALA 48 N 2.00 1.00 0.00 1.58 0.00 -1.97 0.12 119.26 121.99 2roq h ALA 48 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 2roq h ALA 48 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2roq h ALA 48 CO 0.30 0.00 -1.62 1.28 0.00 0.00 0.00 179.25 179.20 2roq n LEU 49 N -2.74 1.91 0.09 0.00 4.77 -1.26 -3.65 117.00 116.12 2roq n LEU 49 Ca -0.02 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 2roq n LEU 49 Cb 0.08 -0.84 -0.08 0.00 -2.33 0.00 0.00 43.42 40.26 2roq n LEU 49 CO 0.17 0.17 0.81 -0.07 -1.33 0.00 0.00 177.39 177.14 2roq h LEU 50 N -1.00 -0.12 -2.17 2.23 -0.00 -1.84 -0.42 115.31 111.98 2roq h LEU 50 Ca -0.37 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2roq h LEU 50 Cb 1.25 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2roq h LEU 50 CO -0.22 -0.05 -0.02 0.00 -0.00 0.00 0.00 178.44 178.15 2roq h ALA 51 N 0.70 1.04 0.15 1.53 0.00 -1.01 -2.12 119.26 119.55 2roq h ALA 51 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2roq h ALA 51 Cb 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2roq h ALA 51 CO 0.02 0.02 -0.95 1.98 0.00 0.00 0.00 179.25 180.33 2roq h MET 52 N 0.00 0.38 -0.37 0.00 1.85 -1.44 -1.31 114.93 114.04 2roq h MET 52 Ca -0.00 -0.61 -0.10 0.00 -0.61 0.00 0.00 59.70 58.38 2roq h MET 52 Cb 0.27 0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 2roq h MET 52 CO 0.00 1.28 -0.18 0.87 -0.40 0.00 0.00 176.91 178.48 2roq h LYS 53 N -0.21 0.69 0.03 0.39 1.79 -0.77 -2.22 116.57 116.27 2roq h LYS 53 Ca -0.16 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2roq h LYS 53 Cb 1.73 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 2roq h LYS 53 CO 0.18 0.83 -0.01 1.25 -1.08 0.00 0.00 179.45 180.62 2roq h LEU 54 N 0.62 -0.03 -0.63 2.94 6.46 -1.49 -2.16 115.31 121.02 2roq h LEU 54 Ca 0.10 -0.70 0.13 0.00 -0.12 0.00 0.00 57.88 57.28 2roq h LEU 54 Cb 0.65 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.49 2roq h LEU 54 CO 0.05 0.75 0.09 0.00 -0.62 0.00 0.00 178.44 178.70 2roq h ALA 55 N -0.02 0.71 -0.11 1.25 0.00 -1.26 0.19 119.26 120.02 2roq h ALA 55 Ca -0.00 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 55 Cb 0.73 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2roq h ALA 55 CO 0.01 -0.35 -0.51 0.00 0.00 0.00 0.00 179.25 178.40 2roq h ALA 56 N 1.53 0.94 -0.33 0.00 0.00 -1.50 -1.75 119.26 118.15 2roq h ALA 56 Ca 0.34 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 56 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2roq h ALA 56 CO -0.47 0.67 0.02 0.37 0.00 0.00 0.00 179.25 179.84 2roq h GLN 57 N 0.23 0.56 -0.21 0.00 4.15 -0.28 -2.24 115.11 117.33 2roq h GLN 57 Ca 0.01 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.18 2roq h GLN 57 Cb 0.98 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 2roq h GLN 57 CO 0.08 0.68 -0.19 -0.07 -1.93 0.00 0.00 178.83 177.40 2roq h LEU 58 N 0.38 0.52 -2.00 -2.39 3.38 -0.71 0.23 115.31 114.72 2roq h LEU 58 Ca 0.10 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.68 2roq h LEU 58 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2roq h LEU 58 CO 0.01 0.88 0.20 0.77 0.09 0.00 0.00 178.44 180.40 2roq h SER 59 N 0.17 0.00 0.19 -0.43 4.64 -1.30 0.46 113.55 117.29 2roq h SER 59 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2roq h SER 59 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2roq h SER 59 CO 0.05 0.00 -1.29 -2.11 -0.87 0.00 0.00 176.83 172.61 2roq n ARG 60 N -4.45 0.31 0.05 4.77 1.85 -0.85 -1.43 116.66 116.91 2roq n ARG 60 Ca 0.04 -0.06 0.11 0.00 -1.00 0.00 0.00 57.85 56.95 2roq n ARG 60 Cb 0.36 -1.55 0.02 0.00 -1.05 0.00 0.00 32.46 30.24 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2roq n GLN 61 N -1.92 0.41 0.00 2.89 1.13 0.79 -4.11 117.38 116.57 2roq n GLN 61 Ca 0.01 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2roq n GLN 61 Cb 0.44 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.13 2roq n GLN 61 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2roq n VAL 62 N -2.20 0.65 -2.35 5.09 0.24 0.14 -4.99 118.33 114.91 2roq n VAL 62 Ca 0.01 -0.79 -0.17 0.00 -2.04 0.00 0.00 64.34 61.35 2roq n VAL 62 Cb 0.48 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.32 -0.66 -2.62 2.33 0.00 -1.11 -4.96 120.51 113.17 2roq n ALA 63 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.31 2roq n ALA 63 Cb 0.19 -1.90 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 2roq n ALA 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2roq s ARG 64 N -4.93 1.97 -0.62 0.00 3.52 -0.51 -5.01 118.95 113.36 2roq s ARG 64 Ca 0.00 -2.17 -0.08 0.00 -0.13 0.00 0.00 55.73 53.35 2roq s ARG 64 Cb 0.00 -1.37 0.16 0.00 -1.56 0.00 0.00 34.95 32.18 2roq s ARG 64 CO 0.00 -0.21 0.49 1.14 -0.81 0.00 0.00 175.30 175.91 2roq s GLN 65 N -3.79 2.82 -0.11 5.12 0.00 -1.26 -4.24 119.66 118.19 2roq s GLN 65 Ca 0.25 -2.22 0.01 0.00 -0.00 0.00 0.00 55.36 53.39 2roq s GLN 65 Cb 0.07 -4.00 -0.02 0.00 0.00 0.00 0.00 33.01 29.06 2roq s GLN 65 CO 0.13 -1.21 -0.12 0.54 0.00 0.00 0.00 175.29 174.62 2roq s VAL 66 N 0.54 3.17 0.00 3.63 0.11 -1.26 -4.84 120.40 121.75 2roq s VAL 66 Ca 0.13 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 2roq s VAL 66 Cb -0.20 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 2roq s VAL 66 CO -0.04 0.54 0.00 0.41 -3.33 0.00 0.00 175.10 172.69 2roq n THR 67 N 3.11 0.00 -2.10 5.04 -1.04 -1.26 -4.52 114.28 113.52 2roq n THR 67 Ca -0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 2roq n THR 67 Cb 0.53 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 2roq n THR 67 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2roq s PRO 68 N 0.00 3.55 -1.21 -2.82 0.04 -1.26 -3.20 135.00 130.10 2roq s PRO 68 Ca 0.00 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2roq s PRO 68 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2roq s PRO 68 CO 0.00 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.85 2roq n GLY 69 N 5.08 0.46 0.00 0.56 0.00 -1.26 -4.71 105.19 105.32 2roq n GLY 69 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2roq n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2roq n GLN 70 N -2.24 6.21 -3.73 1.61 6.02 -1.19 -3.94 117.38 120.12 2roq n GLN 70 Ca -0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.72 2roq n GLN 70 Cb 0.49 -0.47 -0.09 0.00 1.02 0.00 0.00 30.24 31.19 2roq n GLN 70 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2roq s VAL 71 N -0.93 0.01 0.00 5.09 1.01 -1.23 -4.50 120.40 119.85 2roq s VAL 71 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2roq s VAL 71 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2roq s VAL 71 CO 0.00 -0.05 0.00 1.15 0.00 0.00 0.00 175.10 176.20 2roq n MET 72 N 2.42 -0.18 0.00 2.72 0.00 -1.26 -4.32 117.12 116.49 2roq n MET 72 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.59 2roq n MET 72 Cb 0.57 -3.36 0.00 0.00 0.00 0.00 0.00 33.22 30.43 2roq n MET 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2roq n VAL 73 N -2.15 0.00 -0.19 3.17 0.24 -1.26 -4.89 118.33 113.25 2roq n VAL 73 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2roq n VAL 73 Cb 0.05 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.37 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq n ALA 74 N -0.82 -0.29 0.00 2.33 0.00 -1.25 -4.27 120.51 116.21 2roq n ALA 74 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2roq n ALA 74 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2roq n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roq n SER 75 N -4.31 0.00 -2.57 0.00 2.88 -1.26 -4.71 113.62 103.65 2roq n SER 75 Ca 0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.53 2roq n SER 75 Cb 0.12 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.19 2.46 5.66 -1.26 -4.68 114.28 116.65 2roq n THR 76 Ca 0.00 -0.38 -0.16 0.00 -3.05 0.00 0.00 64.05 60.46 2roq n THR 76 Cb 0.00 0.52 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 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 1.67 0.13 -0.91 1.08 2.07 -1.50 -0.44 116.25 118.33 2roq h VAL 77 Ca -0.18 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.58 2roq h VAL 77 Cb 0.81 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 30.57 2roq h VAL 77 CO 0.25 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.20 2roq h ALA 78 N -0.42 1.48 -0.49 1.67 0.00 -1.43 0.25 119.26 120.32 2roq h ALA 78 Ca -0.01 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2roq h ALA 78 Cb 0.74 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2roq h ALA 78 CO -0.16 -0.44 0.03 0.87 0.00 0.00 0.00 179.25 179.55 2roq h LYS 79 N 0.31 0.85 -0.95 0.00 1.79 -1.69 -2.19 116.57 114.69 2roq h LYS 79 Ca 0.59 -0.26 0.17 0.00 -2.18 0.00 0.00 60.65 58.98 2roq h LYS 79 Cb 1.21 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.67 2roq h LYS 79 CO -0.60 0.88 0.54 -0.07 -1.08 0.00 0.00 179.45 179.12 2roq h LEU 80 N 0.71 0.68 -0.19 2.94 -0.00 0.11 0.34 115.31 119.91 2roq h LEU 80 Ca 0.14 0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 58.07 2roq h LEU 80 Cb 0.47 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 2roq h LEU 80 CO 0.02 0.26 -0.24 0.00 -0.00 0.00 0.00 178.44 178.47 2roq h ALA 81 N 1.61 0.86 0.00 1.53 0.00 -1.25 -2.20 119.26 119.81 2roq h ALA 81 Ca 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2roq h ALA 81 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 81 CO -0.38 0.31 -0.21 1.15 0.00 0.00 0.00 179.25 180.11 2roq h THR 82 N 0.00 0.00 0.03 0.00 2.02 0.17 -2.20 112.91 112.93 2roq h THR 82 Ca -0.00 -0.90 -0.36 0.00 0.77 0.00 0.00 66.41 65.91 2roq h THR 82 Cb 1.12 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.27 2roq h THR 82 CO 0.03 0.00 -2.20 2.30 0.37 0.00 0.00 175.52 176.02 2roq n ILE 83 N -2.86 1.57 0.08 3.11 -5.35 0.48 -3.05 119.36 113.34 2roq n ILE 83 Ca 0.03 -0.69 -0.10 0.00 -0.27 0.00 0.00 62.75 61.72 2roq n ILE 83 Cb 0.52 -1.24 -0.08 0.00 -1.74 0.00 0.00 39.64 37.09 2roq n ILE 83 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2roq h ILE 84 N 0.02 1.57 0.00 7.28 1.08 -1.50 0.31 117.51 126.27 2roq h ILE 84 Ca -0.48 -3.03 -0.15 0.00 -0.39 0.00 0.00 64.86 60.81 2roq h ILE 84 Cb 2.03 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 38.50 2roq h ILE 84 CO 0.01 0.88 -0.96 -0.78 -0.69 0.00 0.00 178.15 176.61 2roq h ASP 85 N 0.06 0.00 -0.02 1.72 3.58 -1.59 -3.30 116.42 116.87 2roq h ASP 85 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2roq h ASP 85 Cb 1.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.78 2roq h ASP 85 CO 0.15 0.60 -0.24 0.00 -2.88 0.00 0.00 179.24 176.88 2roq n ALA 86 N -2.32 2.99 -2.58 -0.78 0.00 -1.17 -4.96 120.51 111.69 2roq n ALA 86 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.66 2roq n ALA 86 Cb 0.81 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 2roq n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2roq n GLU 87 N 0.36 -2.47 -0.43 0.00 2.13 0.10 -4.94 120.64 115.38 2roq n GLU 87 Ca 0.09 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2roq n GLU 87 Cb 0.42 -5.20 0.00 0.00 0.27 0.00 0.00 31.44 26.93 2roq n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2roq n GLU 88 N -2.96 0.57 0.01 5.31 4.07 -0.76 -5.02 120.64 121.87 2roq n GLU 88 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 2roq n GLU 88 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 2roq n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2roq n ASP 89 N -2.78 0.22 -2.92 4.31 8.00 -1.26 -4.85 116.55 117.27 2roq n ASP 89 Ca 0.00 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 2roq n ASP 89 Cb 0.00 -0.06 0.06 0.00 -0.02 0.00 0.00 41.12 41.09 2roq n ASP 89 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2roq n SER 90 N -2.70 -5.82 0.00 -2.24 7.64 -1.26 -4.75 113.62 104.48 2roq n SER 90 Ca 0.00 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2roq n SER 90 Cb 0.00 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 58.85 2roq n SER 90 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2roq n THR 91 N -2.87 0.00 -0.27 0.44 5.66 -1.26 -4.56 114.28 111.41 2roq n THR 91 Ca -0.06 -0.47 0.19 0.00 -3.05 0.00 0.00 64.05 60.66 2roq n THR 91 Cb 0.59 1.01 0.48 0.00 -1.55 0.00 0.00 70.33 70.87 2roq n THR 91 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2roq h ARG 92 N 0.00 0.45 0.00 1.09 0.11 -1.93 -3.34 114.38 110.77 2roq h ARG 92 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2roq h ARG 92 Cb 0.01 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 30.99 2roq h ARG 92 CO 0.00 0.30 0.00 0.54 0.10 0.00 0.00 179.97 180.91 2roq n ARG 93 N -4.56 0.00 -1.30 0.08 1.74 -1.26 -4.95 116.66 106.42 2roq n ARG 93 Ca 0.21 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.99 2roq n ARG 93 Cb 0.70 -0.23 0.13 0.00 -1.02 0.00 0.00 32.46 32.04 2roq n ARG 93 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2roq s MET 94 N -0.49 1.37 -1.28 5.56 -1.94 -1.25 -4.06 119.30 117.21 2roq s MET 94 Ca 0.00 0.73 -0.06 0.00 -1.71 0.00 0.00 55.69 54.65 2roq s MET 94 Cb 0.00 -1.83 -0.01 0.00 2.01 0.00 0.00 34.83 35.01 2roq s MET 94 CO 0.00 -2.14 0.65 0.41 -0.01 0.00 0.00 175.02 173.93 2roq n GLY 95 N -1.40 -0.51 1.05 -0.03 0.00 -1.26 -4.45 105.19 98.60 2roq n GLY 95 Ca 0.07 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.23 0.39 -1.42 1.61 7.35 -1.26 -4.80 117.46 115.10 2roq n PHE 96 Ca -0.24 -0.21 -0.14 0.00 -0.76 0.00 0.00 57.45 56.10 2roq n PHE 96 Cb 0.65 -0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.42 2roq n PHE 96 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2roq n GLU 97 N 1.35 -1.25 0.00 -4.13 1.02 -1.26 -4.70 120.64 111.67 2roq n GLU 97 Ca 0.17 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 2roq n GLU 97 Cb 0.57 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.78 2roq n GLU 97 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2roq n THR 98 N -2.46 0.00 -4.27 2.62 -2.24 -1.25 -4.58 114.28 102.10 2roq n THR 98 Ca -0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 2roq n THR 98 Cb 0.53 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 2roq n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2roq s ILE 99 N -1.62 0.73 -0.34 2.28 -1.09 -1.24 -3.76 121.20 116.15 2roq s ILE 99 Ca 0.00 -0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 57.77 2roq s ILE 99 Cb 0.00 -0.66 0.11 0.00 -1.58 0.00 0.00 42.46 40.33 2roq s ILE 99 CO 0.00 0.02 0.15 -0.22 -1.23 0.00 0.00 174.94 173.67 2roq s LEU 100 N -0.70 1.84 0.01 2.97 2.96 -1.24 -4.24 118.68 120.28 2roq s LEU 100 Ca 0.00 -1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 51.74 2roq s LEU 100 Cb -0.06 -0.74 -0.06 0.00 0.50 0.00 0.00 46.19 45.84 2roq s LEU 100 CO 0.00 -0.37 1.44 -2.16 -1.32 0.00 0.00 176.35 173.94 2roq s PRO 101 N 1.35 4.27 -0.15 0.98 0.04 -1.26 -3.93 135.00 136.29 2roq s PRO 101 Ca 0.13 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2roq s PRO 101 Cb -0.19 -3.59 -0.23 0.00 0.04 0.00 0.00 34.50 30.52 2roq s PRO 101 CO -0.18 -0.61 0.23 1.28 0.04 0.00 0.00 177.00 177.76 2roq n LEU 102 N 5.49 2.06 -3.16 -3.56 4.77 -1.20 -4.98 117.00 116.41 2roq n LEU 102 Ca 0.14 0.13 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 2roq n LEU 102 Cb 0.43 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2roq n LEU 102 CO 0.59 0.74 0.88 -0.13 -1.33 0.00 0.00 177.39 178.15 2roq s ARG 103 N -2.55 0.02 0.02 3.23 1.81 -1.19 -4.92 118.95 115.37 2roq s ARG 103 Ca -0.21 0.05 -0.02 0.00 -1.72 0.00 0.00 55.73 53.82 2roq s ARG 103 Cb 0.07 0.03 -0.01 0.00 -0.45 0.00 0.00 34.95 34.59 2roq s ARG 103 CO 0.74 -0.01 0.03 -1.83 -0.68 0.00 0.00 175.30 173.55 2roq s GLU 104 N 2.36 0.37 0.00 3.54 4.04 -1.25 0.08 118.70 127.84 2roq s GLU 104 Ca -0.03 -0.55 0.00 0.00 0.04 0.00 0.00 54.97 54.42 2roq s GLU 104 Cb -0.03 0.14 0.00 0.00 0.02 0.00 0.00 34.13 34.26 2roq s GLU 104 CO -0.13 -0.07 0.00 0.41 -1.84 0.00 0.00 175.26 173.63 2roq n GLY 105 N 1.52 0.94 0.00 -3.83 0.00 -1.26 -4.97 105.19 97.58 2roq n GLY 105 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2roq n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2roq n ASN 106 N 0.00 0.00 0.00 1.61 4.05 -1.26 -5.04 115.26 114.61 2roq n ASN 106 Ca 0.00 0.10 0.00 0.00 0.45 0.00 0.00 54.58 55.13 2roq n ASN 106 Cb 0.00 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 40.88 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 107 N 2.34 -2.09 3.65 8.20 0.00 -1.26 -4.99 105.19 111.03 2roq n GLY 107 Ca 0.00 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.21 4.05 -0.16 1.61 0.04 -1.26 -4.81 135.00 134.27 2roq s PRO 108 Ca 0.00 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 2roq s PRO 108 Cb 0.00 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 2roq s PRO 108 CO 0.00 -0.99 0.33 0.95 0.04 0.00 0.00 177.00 177.33 2roq s THR 109 N 4.36 5.28 -0.42 1.26 -4.23 -1.25 -1.74 115.64 118.90 2roq s THR 109 Ca 0.69 0.63 0.02 0.00 -1.18 0.00 0.00 61.69 61.84 2roq s THR 109 Cb -0.28 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.04 2roq s THR 109 CO 0.26 0.37 0.26 -0.22 -0.54 0.00 0.00 174.62 174.75 2roq s LEU 110 N 0.55 2.11 -0.49 4.79 0.20 0.12 -3.66 118.68 122.30 2roq s LEU 110 Ca 0.18 -2.61 -0.28 0.00 0.69 0.00 0.00 54.13 52.11 2roq s LEU 110 Cb -0.13 -0.79 0.03 0.00 -0.43 0.00 0.00 46.19 44.86 2roq s LEU 110 CO 0.05 -0.26 1.10 -0.36 -0.29 0.00 0.00 176.35 176.59 2roq s PHE 111 N 0.45 2.81 0.02 5.38 0.08 -0.15 -3.51 117.98 123.06 2roq s PHE 111 Ca 0.20 0.60 -0.19 0.00 0.12 0.00 0.00 56.93 57.66 2roq s PHE 111 Cb -0.19 -4.35 -0.06 0.00 -0.57 0.00 0.00 43.02 37.85 2roq s PHE 111 CO -0.03 -1.27 0.56 0.00 -0.10 0.00 0.00 175.22 174.37 2roq s PHE 113 N -0.58 2.06 -0.27 0.00 0.08 0.12 -2.46 117.98 116.93 2roq s PHE 113 Ca 0.29 1.33 -0.37 0.00 0.12 0.00 0.00 56.93 58.30 2roq s PHE 113 Cb -0.18 -3.17 -0.13 0.00 -0.57 0.00 0.00 43.02 38.96 2roq s PHE 113 CO 0.17 -2.68 1.94 1.58 -0.10 0.00 0.00 175.22 176.12 2roq n HIS 114 N -4.10 1.94 -0.91 0.36 -0.00 -1.21 -4.60 115.22 106.70 2roq n HIS 114 Ca 0.07 0.34 -0.23 0.00 0.46 0.00 0.00 57.72 58.36 2roq n HIS 114 Cb 0.55 -2.52 0.19 0.00 -0.12 0.00 0.00 29.99 28.08 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2roq n PRO 115 N 6.66 -2.66 0.13 1.57 -0.04 -1.26 -4.61 135.00 134.78 2roq n PRO 115 Ca 0.31 -1.34 0.12 0.00 -0.04 0.00 0.00 63.50 62.56 2roq n PRO 115 Cb 0.19 -1.25 0.15 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.58 0.73 -0.57 0.55 0.00 -1.91 -3.38 119.26 112.11 2roq h ALA 116 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2roq h ALA 116 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2roq h ALA 116 CO 0.21 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.89 2roq n SER 117 N -2.58 0.00 0.00 0.00 7.64 -1.26 -4.73 113.62 112.69 2roq n SER 117 Ca 0.03 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.59 2roq n SER 117 Cb 0.50 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.46 0.99 3.36 0.23 0.00 -1.26 -4.81 105.19 104.15 2roq n GLY 118 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2roq n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2roq s PHE 119 N 0.00 1.65 -0.57 1.61 -0.12 -1.26 -3.53 117.98 115.76 2roq s PHE 119 Ca 0.00 -1.35 0.16 0.00 -0.05 0.00 0.00 56.93 55.69 2roq s PHE 119 Cb 0.00 -0.92 0.65 0.00 -0.63 0.00 0.00 43.02 42.13 2roq s PHE 119 CO 0.00 -0.48 1.57 0.00 -0.05 0.00 0.00 175.22 176.26 2roq n ALA 120 N -0.63 3.20 0.08 1.99 0.00 -1.26 -4.41 120.51 119.48 2roq n ALA 120 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 53.44 51.50 2roq n ALA 120 Cb 0.65 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 2roq n ALA 120 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2roq h TRP 121 N 3.18 0.15 -0.46 0.00 6.55 -1.90 -3.14 115.95 120.33 2roq h TRP 121 Ca 0.00 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.75 2roq h TRP 121 Cb 1.53 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.82 2roq h TRP 121 CO 0.73 0.97 0.00 0.94 -1.05 0.00 0.00 178.44 180.03 2roq n GLN 122 N -3.53 2.89 -0.48 0.49 0.00 -1.22 -3.16 117.38 112.37 2roq n GLN 122 Ca -0.02 -2.00 0.05 0.00 -0.00 0.00 0.00 57.00 55.03 2roq n GLN 122 Cb 0.87 -1.69 0.24 0.00 0.00 0.00 0.00 30.24 29.65 2roq n GLN 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2roq n PHE 123 N 0.74 1.12 0.26 3.69 3.01 -1.19 -4.25 117.46 120.84 2roq n PHE 123 Ca 0.18 -0.41 0.13 0.00 1.01 0.00 0.00 57.45 58.36 2roq n PHE 123 Cb 0.65 -0.27 0.64 0.00 -0.01 0.00 0.00 39.48 40.49 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 2.52 0.00 0.62 4.37 0.02 -1.71 -0.82 113.55 118.55 2roq h SER 124 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 2roq h SER 124 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2roq h SER 124 CO 0.23 0.00 -1.39 0.58 -1.14 0.00 0.00 176.83 175.11 2roq h VAL 125 N 0.00 1.29 0.00 2.27 2.07 -1.91 -2.11 116.25 117.86 2roq h VAL 125 Ca 0.00 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.54 2roq h VAL 125 Cb 0.14 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2roq h VAL 125 CO 0.00 0.82 -0.67 0.25 0.02 0.00 0.00 177.57 177.98 2roq h LEU 126 N 0.04 0.00 0.00 2.57 5.85 -1.62 -2.19 115.31 119.96 2roq h LEU 126 Ca -0.18 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2roq h LEU 126 Cb 1.95 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.97 2roq h LEU 126 CO 0.15 0.11 -1.89 -1.20 -0.34 0.00 0.00 178.44 175.26 2roq n SER 127 N -2.12 0.10 -0.12 1.25 7.64 -0.41 -3.93 113.62 116.04 2roq n SER 127 Ca 0.03 0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 2roq n SER 127 Cb 0.44 1.79 -0.07 0.00 -1.01 0.00 0.00 64.21 65.36 2roq n SER 127 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2roq n ARG 128 N -2.32 0.56 0.31 1.43 0.63 -0.79 -4.21 116.66 112.26 2roq n ARG 128 Ca -0.04 0.24 -0.17 0.00 -0.92 0.00 0.00 57.85 56.96 2roq n ARG 128 Cb 0.58 -1.46 -0.08 0.00 0.45 0.00 0.00 32.46 31.95 2roq n ARG 128 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 2roq h TYR 129 N -0.99 -0.97 0.00 -0.14 5.03 -1.58 -3.32 116.97 115.00 2roq h TYR 129 Ca -0.43 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.87 2roq h TYR 129 Cb 1.37 0.35 0.00 0.00 1.55 0.00 0.00 36.73 40.00 2roq h TYR 129 CO -0.22 -0.54 0.00 1.28 -1.32 0.00 0.00 178.16 177.36 2roq n LEU 130 N -5.49 0.00 -4.39 2.82 7.99 -1.25 -4.84 117.00 111.84 2roq n LEU 130 Ca -0.12 0.56 -0.20 0.00 -0.01 0.00 0.00 56.01 56.24 2roq n LEU 130 Cb 0.39 -0.06 -0.10 0.00 -0.11 0.00 0.00 43.42 43.54 2roq n LEU 130 CO 0.33 -0.06 -0.39 -1.81 -1.51 0.00 0.00 177.39 173.95 2roq s ASP 131 N -2.57 2.63 0.37 -1.43 1.11 -1.25 -5.04 116.67 110.49 2roq s ASP 131 Ca 0.00 -1.12 0.16 0.00 0.18 0.00 0.00 52.55 51.77 2roq s ASP 131 Cb 0.00 -0.14 0.73 0.00 1.07 0.00 0.00 42.92 44.57 2roq s ASP 131 CO 0.00 -0.28 1.78 1.55 1.18 0.00 0.00 175.17 179.40 2roq h PRO 132 N 2.41 0.00 0.00 8.23 0.13 -1.79 -3.34 132.00 137.64 2roq h PRO 132 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2roq h PRO 132 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2roq h PRO 132 CO 0.65 0.39 0.00 0.00 -0.23 0.00 0.00 178.00 178.81 2roq n GLN 133 N -3.78 0.00 -0.08 0.86 10.64 -1.26 -4.94 117.38 118.82 2roq n GLN 133 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2roq n GLN 133 Cb 0.46 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.84 2roq n GLN 133 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 2roq n TRP 134 N 0.00 -3.71 -3.17 2.61 4.27 -1.26 -4.47 117.44 111.70 2roq n TRP 134 Ca 0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2roq n TRP 134 Cb 0.00 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.88 2roq n TRP 134 CO 0.00 0.00 0.00 -1.12 -2.29 0.00 0.00 177.69 174.28 2roq s SER 135 N -1.00 6.34 -0.09 -0.67 0.01 -0.71 -3.96 113.70 113.62 2roq s SER 135 Ca 0.00 -0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 2roq s SER 135 Cb 0.00 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.96 2roq s SER 135 CO 0.00 -0.60 0.23 -0.51 0.41 0.00 0.00 173.24 172.78 2roq s ILE 136 N 2.59 -0.02 -0.16 1.44 2.07 0.11 0.14 121.20 127.37 2roq s ILE 136 Ca 0.21 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.47 2roq s ILE 136 Cb -0.15 -0.34 0.08 0.00 0.13 0.00 0.00 42.46 42.17 2roq s ILE 136 CO 0.15 0.02 0.20 -0.63 -1.91 0.00 0.00 174.94 172.77 2roq s ILE 137 N 0.56 -0.29 -0.16 2.00 1.01 -1.23 -3.15 121.20 119.94 2roq s ILE 137 Ca -0.04 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 2roq s ILE 137 Cb -0.05 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2roq s ILE 137 CO -0.03 -0.10 0.41 -0.83 0.00 0.00 0.00 174.94 174.39 2roq s GLY 138 N 2.31 2.24 -0.83 6.18 0.00 -1.25 -2.80 107.32 113.17 2roq s GLY 138 Ca 0.05 -0.36 -0.25 0.00 0.00 0.00 0.00 44.72 44.16 2roq s GLY 138 CO -0.10 0.71 1.49 -1.50 0.00 0.00 0.00 173.10 173.70 2roq s ILE 139 N 0.83 3.71 0.32 0.90 1.10 -1.03 -3.73 121.20 123.30 2roq s ILE 139 Ca 0.21 -0.09 0.04 0.00 -0.51 0.00 0.00 60.65 60.31 2roq s ILE 139 Cb -0.14 -4.74 -0.04 0.00 0.15 0.00 0.00 42.46 37.70 2roq s ILE 139 CO 0.08 -1.66 0.16 0.00 -2.11 0.00 0.00 174.94 171.41 2roq s GLN 140 N 5.80 1.66 -0.30 3.50 1.03 -1.25 -3.29 119.66 126.82 2roq s GLN 140 Ca 0.47 -1.96 -0.01 0.00 0.04 0.00 0.00 55.36 53.90 2roq s GLN 140 Cb -0.06 -0.15 0.19 0.00 0.03 0.00 0.00 33.01 33.02 2roq s GLN 140 CO 0.06 -0.47 0.64 -1.54 -2.54 0.00 0.00 175.29 171.45 2roq s SER 141 N -3.41 -1.35 -0.60 12.60 1.04 -1.23 -3.66 113.70 117.08 2roq s SER 141 Ca 0.34 0.64 -0.27 0.00 0.48 0.00 0.00 55.95 57.15 2roq s SER 141 Cb 0.04 2.05 -0.02 0.00 0.10 0.00 0.00 66.02 68.20 2roq s SER 141 CO 0.18 -0.25 1.85 -2.16 0.98 0.00 0.00 173.24 173.84 2roq s PRO 142 N 2.86 2.66 0.03 4.02 0.04 -1.26 -4.93 135.00 138.42 2roq s PRO 142 Ca 0.17 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 2roq s PRO 142 Cb -0.13 -4.38 0.02 0.00 0.04 0.00 0.00 34.50 30.05 2roq s PRO 142 CO -0.21 -2.69 0.28 1.03 0.04 0.00 0.00 177.00 175.45 2roq s ARG 143 N 6.97 0.74 -0.02 4.56 0.52 -1.26 -4.97 118.95 125.49 2roq s ARG 143 Ca 0.68 -0.43 -0.26 0.00 -0.52 0.00 0.00 55.73 55.20 2roq s ARG 143 Cb -0.13 0.32 -0.20 0.00 0.52 0.00 0.00 34.95 35.46 2roq s ARG 143 CO 0.21 -0.22 1.25 -1.00 0.02 0.00 0.00 175.30 175.56 2roq h PRO 144 N 3.48 -0.03 0.00 3.54 0.13 -1.91 -3.43 132.00 133.78 2roq h PRO 144 Ca -0.31 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2roq h PRO 144 Cb 1.19 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 2roq h PRO 144 CO 0.44 0.45 0.20 -1.71 -0.23 0.00 0.00 178.00 177.15 2roq n ASN 145 N -4.87 -1.08 -4.08 1.44 5.15 -1.26 -4.15 115.26 106.40 2roq n ASN 145 Ca -0.08 -1.61 -0.29 0.00 -0.60 0.00 0.00 54.58 51.99 2roq n ASN 145 Cb 0.25 1.03 0.17 0.00 -0.53 0.00 0.00 39.78 40.70 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 -0.11 -2.58 0.16 8.20 0.00 -1.26 -4.82 105.19 104.78 2roq n GLY 146 Ca -0.21 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.26 0.02 -0.01 1.61 0.13 -2.03 -2.78 132.00 126.69 2roq h PRO 147 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2roq h PRO 147 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2roq h PRO 147 CO 0.33 0.51 -0.39 0.00 -0.23 0.00 0.00 178.00 178.21 2roq n MET 148 N -3.96 0.60 0.00 0.86 0.00 -1.26 -3.78 117.12 109.58 2roq n MET 148 Ca -0.02 -0.38 0.14 0.00 0.00 0.00 0.00 57.70 57.44 2roq n MET 148 Cb 0.51 -1.49 0.58 0.00 0.00 0.00 0.00 33.22 32.81 2roq n MET 148 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2roq n GLN 149 N -0.86 0.24 0.02 3.17 7.27 -1.05 0.52 117.38 126.69 2roq n GLN 149 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 57.00 57.09 2roq n GLN 149 Cb 0.36 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.50 2roq n GLN 149 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2roq h THR 150 N 0.14 0.00 0.00 1.69 1.35 -1.65 -3.44 112.91 111.00 2roq h THR 150 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2roq h THR 150 Cb 0.43 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 2roq h THR 150 CO 0.00 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.03 2roq n ALA 151 N -2.35 1.00 0.14 6.62 0.00 -1.26 -4.52 120.51 120.13 2roq n ALA 151 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2roq n ALA 151 Cb 0.04 0.04 0.46 0.00 0.00 0.00 0.00 19.45 19.99 2roq n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq n ALA 152 N -0.70 1.06 -0.22 0.00 0.00 -1.17 -3.03 120.51 116.45 2roq n ALA 152 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 2roq n ALA 152 Cb 0.08 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 2roq n ALA 152 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2roq h ASN 153 N 0.00 -1.54 -0.76 0.00 -0.26 -0.22 0.31 115.58 113.10 2roq h ASN 153 Ca 0.00 0.25 0.18 0.00 -0.56 0.00 0.00 56.30 56.17 2roq h ASN 153 Cb 0.01 0.70 -0.12 0.00 -1.06 0.00 0.00 38.32 37.85 2roq h ASN 153 CO 0.00 -0.33 0.11 -0.07 -1.06 0.00 0.00 177.43 176.08 2roq h LEU 154 N -0.22 -0.14 -0.12 1.61 3.38 -1.84 0.37 115.31 118.35 2roq h LEU 154 Ca 0.18 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2roq h LEU 154 Cb 0.56 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2roq h LEU 154 CO -0.70 -0.12 0.01 -0.78 0.09 0.00 0.00 178.44 176.94 2roq h ASP 155 N 0.18 0.19 0.54 -0.43 1.82 -1.02 -0.68 116.42 117.03 2roq h ASP 155 Ca 0.43 -0.29 -0.03 0.00 -0.39 0.00 0.00 57.03 56.76 2roq h ASP 155 Cb 0.78 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.74 2roq h ASP 155 CO -0.60 0.44 -0.30 -0.33 -1.61 0.00 0.00 179.24 176.84 2roq h GLU 156 N -0.06 -0.75 -0.91 0.28 4.39 0.10 -2.08 114.58 115.57 2roq h GLU 156 Ca 0.03 0.05 0.19 0.00 0.34 0.00 0.00 59.36 59.97 2roq h GLU 156 Cb 0.33 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.08 2roq h GLU 156 CO 0.00 -0.50 0.59 -0.39 -1.16 0.00 0.00 179.01 177.56 2roq h VAL 157 N -0.77 0.72 0.73 3.13 -1.51 -0.43 0.99 116.25 119.10 2roq h VAL 157 Ca -0.07 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 2roq h VAL 157 Cb 0.61 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.93 2roq h VAL 157 CO 0.10 0.09 -0.50 0.00 -1.23 0.00 0.00 177.57 176.03 2roq h GLU 159 N -1.16 0.15 0.40 0.00 4.39 -0.80 -2.13 114.58 115.44 2roq h GLU 159 Ca -0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2roq h GLU 159 Cb 0.95 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 2roq h GLU 159 CO 0.06 0.31 -0.48 0.00 -1.16 0.00 0.00 179.01 177.74 2roq h ALA 160 N 0.83 -1.10 0.00 3.43 0.00 -0.79 0.27 119.26 121.91 2roq h ALA 160 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 160 Cb 0.22 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2roq h ALA 160 CO -0.00 -1.15 -0.18 1.25 0.00 0.00 0.00 179.25 179.18 2roq h HIS 161 N -0.90 -0.52 -0.73 0.00 -0.00 -0.25 -1.32 115.15 111.43 2roq h HIS 161 Ca -0.05 0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.50 2roq h HIS 161 Cb 0.80 0.23 -0.13 0.00 -0.00 0.00 0.00 27.41 28.31 2roq h HIS 161 CO -0.29 -0.19 -0.03 -0.07 -0.00 0.00 0.00 177.93 177.36 2roq h LEU 162 N -0.22 -0.40 -0.14 0.26 -0.00 -1.38 0.42 115.31 113.86 2roq h LEU 162 Ca 0.00 0.19 0.03 0.00 -0.00 0.00 0.00 57.88 58.11 2roq h LEU 162 Cb 0.24 0.35 -0.06 0.00 -0.00 0.00 0.00 40.66 41.19 2roq h LEU 162 CO -0.12 -0.18 -0.50 0.00 -0.00 0.00 0.00 178.44 177.64 2roq h ALA 163 N 1.69 -0.86 -0.01 1.53 0.00 0.13 -0.54 119.26 121.20 2roq h ALA 163 Ca 0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2roq h ALA 163 Cb 0.67 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2roq h ALA 163 CO -0.66 -1.04 -0.25 1.79 0.00 0.00 0.00 179.25 179.08 2roq h THR 164 N -0.53 1.19 0.00 0.00 1.35 -0.30 -1.85 112.91 112.77 2roq h THR 164 Ca 0.03 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2roq h THR 164 Cb 0.63 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2roq h THR 164 CO -0.41 0.25 0.00 0.18 -0.25 0.00 0.00 175.52 175.29 2roq n LEU 165 N -4.23 0.00 0.27 3.87 4.32 0.14 -1.91 117.00 119.46 2roq n LEU 165 Ca -0.02 0.68 0.18 0.00 -0.02 0.00 0.00 56.01 56.83 2roq n LEU 165 Cb 0.31 -0.18 0.93 0.00 -1.62 0.00 0.00 43.42 42.86 2roq n LEU 165 CO 0.37 -0.18 1.15 -0.07 -1.22 0.00 0.00 177.39 177.45 2roq h LEU 166 N 0.00 0.00 -0.62 2.23 4.07 -1.33 0.32 115.31 119.99 2roq h LEU 166 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2roq h LEU 166 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 2roq h LEU 166 CO 0.00 0.00 0.29 -0.08 -1.08 0.00 0.00 178.44 177.57 2roq h GLU 167 N 0.00 0.90 0.00 1.13 4.57 -1.15 0.57 114.58 120.59 2roq h GLU 167 Ca 0.04 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 2roq h GLU 167 Cb 0.41 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2roq h GLU 167 CO -0.00 0.72 -1.89 1.04 -1.18 0.00 0.00 179.01 177.70 2roq n GLN 168 N -4.50 0.65 -3.13 1.92 1.13 -0.42 -4.70 117.38 108.33 2roq n GLN 168 Ca 0.04 -0.03 -0.20 0.00 -1.94 0.00 0.00 57.00 54.87 2roq n GLN 168 Cb 0.13 -1.61 -0.05 0.00 0.11 0.00 0.00 30.24 28.82 2roq n GLN 168 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2roq n GLN 169 N -2.56 0.51 0.12 -1.09 7.27 0.10 -4.96 117.38 116.77 2roq n GLN 169 Ca -0.13 -2.81 0.12 0.00 0.07 0.00 0.00 57.00 54.25 2roq n GLN 169 Cb 0.79 -1.45 0.48 0.00 2.41 0.00 0.00 30.24 32.47 2roq n GLN 169 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2roq n PRO 170 N 2.17 0.18 -3.66 3.69 -0.04 0.18 -4.05 135.00 133.48 2roq n PRO 170 Ca 0.22 0.41 -0.06 0.00 -0.04 0.00 0.00 63.50 64.03 2roq n PRO 170 Cb 0.53 -1.85 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 2roq n PRO 170 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2roq s HIS 171 N -3.30 -1.01 -4.71 0.54 2.46 -1.26 -4.97 115.29 103.05 2roq s HIS 171 Ca 0.04 1.88 0.00 0.00 0.47 0.00 0.00 55.06 57.45 2roq s HIS 171 Cb 0.09 0.53 0.00 0.00 -0.13 0.00 0.00 32.58 33.08 2roq s HIS 171 CO 0.38 -0.53 0.00 0.41 -2.47 0.00 0.00 174.74 172.53 2roq n GLY 172 N 5.03 0.95 3.62 1.59 0.00 -1.26 -5.06 105.19 110.06 2roq n GLY 172 Ca -0.14 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -1.88 3.65 -0.36 1.61 0.04 -1.26 -4.67 135.00 132.12 2roq s PRO 173 Ca 0.00 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 2roq s PRO 173 Cb 0.00 -4.08 -0.00 0.00 0.04 0.00 0.00 34.50 30.46 2roq s PRO 173 CO 0.00 -1.47 0.34 0.71 0.04 0.00 0.00 177.00 176.62 2roq s TYR 174 N 5.68 3.21 -0.40 0.56 2.02 -1.26 -4.81 117.35 122.35 2roq s TYR 174 Ca 0.73 -0.20 -0.18 0.00 -0.37 0.00 0.00 57.07 57.05 2roq s TYR 174 Cb -0.23 -2.66 0.01 0.00 -0.40 0.00 0.00 41.96 38.68 2roq s TYR 174 CO 0.31 -0.49 0.46 0.71 -1.57 0.00 0.00 175.55 174.97 2roq s TYR 175 N 1.93 3.16 0.25 2.71 2.02 -1.24 -3.13 117.35 123.06 2roq s TYR 175 Ca 0.10 -0.20 0.11 0.00 -0.37 0.00 0.00 57.07 56.70 2roq s TYR 175 Cb -0.17 -2.92 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 2roq s TYR 175 CO 0.12 -0.66 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.81 2roq s LEU 176 N 2.25 2.85 -0.02 -1.29 2.01 -1.03 -0.98 118.68 122.47 2roq s LEU 176 Ca 0.14 -0.80 0.01 0.00 0.01 0.00 0.00 54.13 53.49 2roq s LEU 176 Cb -0.16 -1.41 0.01 0.00 0.01 0.00 0.00 46.19 44.63 2roq s LEU 176 CO 0.14 0.04 -0.02 -0.76 1.01 0.00 0.00 176.35 176.76 2roq s LEU 177 N -3.38 1.58 -0.02 1.79 1.43 -1.21 0.03 118.68 118.91 2roq s LEU 177 Ca 0.29 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2roq s LEU 177 Cb -0.06 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 2roq s LEU 177 CO 0.16 -0.03 -0.17 -0.83 0.23 0.00 0.00 176.35 175.72 2roq s GLY 178 N 0.49 1.51 -0.02 -3.19 0.00 0.99 0.13 107.32 107.22 2roq s GLY 178 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2roq s GLY 178 CO -0.01 -0.87 0.03 -0.19 0.00 0.00 0.00 173.10 172.06 2roq s TYR 179 N -0.77 0.03 0.00 1.90 2.02 -1.26 -2.58 117.35 116.69 2roq s TYR 179 Ca 0.12 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2roq s TYR 179 Cb -0.10 -0.23 0.00 0.00 -0.40 0.00 0.00 41.96 41.23 2roq s TYR 179 CO 0.02 -0.08 0.00 0.45 -1.57 0.00 0.00 175.55 174.36 2roq n SER 180 N 4.12 0.00 -0.32 2.29 2.88 -1.17 -1.50 113.62 119.92 2roq n SER 180 Ca -0.27 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.40 2roq n SER 180 Cb 0.51 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.38 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 1.19 -0.09 2.46 7.94 -1.26 -4.18 117.00 123.05 2roq n LEU 181 Ca 0.00 -0.34 0.26 0.00 -1.11 0.00 0.00 56.01 54.82 2roq n LEU 181 Cb 0.00 -0.09 0.69 0.00 0.53 0.00 0.00 43.42 44.56 2roq n LEU 181 CO 0.00 0.21 1.24 1.23 -1.11 0.00 0.00 177.39 178.96 2roq h GLY 182 N 4.90 0.00 0.32 -3.96 0.00 -1.45 -2.01 103.07 100.86 2roq h GLY 182 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2roq h GLY 182 CO 0.00 0.00 -0.32 -1.33 0.00 0.00 0.00 176.54 174.89 2roq h GLY 183 N 0.00 -1.05 1.02 4.60 0.00 -1.73 0.45 103.07 106.36 2roq h GLY 183 Ca 0.36 0.48 -0.10 0.00 0.00 0.00 0.00 47.33 48.07 2roq h GLY 183 CO -0.00 -0.33 -0.14 -0.91 0.00 0.00 0.00 176.54 175.15 2roq h THR 184 N -0.63 1.28 0.74 4.70 1.35 -1.73 -2.13 112.91 116.49 2roq h THR 184 Ca -0.04 -1.26 -0.03 0.00 -0.55 0.00 0.00 66.41 64.53 2roq h THR 184 Cb 0.55 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2roq h THR 184 CO -0.04 0.43 -0.47 -0.07 -0.25 0.00 0.00 175.52 175.12 2roq h LEU 185 N 0.67 -1.20 -1.68 3.87 -0.00 -1.34 -2.01 115.31 113.63 2roq h LEU 185 Ca 0.10 0.07 0.12 0.00 -0.00 0.00 0.00 57.88 58.17 2roq h LEU 185 Cb 0.69 0.35 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 2roq h LEU 185 CO 0.05 -0.72 0.43 0.00 -0.00 0.00 0.00 178.44 178.20 2roq h ALA 186 N -1.20 2.12 0.64 1.53 0.00 -0.15 -2.01 119.26 120.19 2roq h ALA 186 Ca -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2roq h ALA 186 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2roq h ALA 186 CO 0.09 -0.28 -0.35 1.96 0.00 0.00 0.00 179.25 180.68 2roq h GLN 187 N 0.35 -0.88 -0.05 0.00 4.20 -0.91 0.33 115.11 118.15 2roq h GLN 187 Ca 0.30 0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.08 2roq h GLN 187 Cb 0.71 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2roq h GLN 187 CO -0.08 -0.59 0.01 0.78 -0.67 0.00 0.00 178.83 178.28 2roq h GLY 188 N -0.91 0.05 0.94 3.46 0.00 -0.88 -2.11 103.07 103.62 2roq h GLY 188 Ca -0.08 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2roq h GLY 188 CO 0.11 0.00 0.03 -2.22 0.00 0.00 0.00 176.54 174.46 2roq h ILE 189 N 0.03 0.98 -0.45 2.60 2.04 -1.35 -2.08 117.51 119.29 2roq h ILE 189 Ca 0.02 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2roq h ILE 189 Cb 0.02 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2roq h ILE 189 CO -0.03 0.01 -0.12 0.00 0.00 0.00 0.00 178.15 178.02 2roq h ALA 190 N 1.05 0.29 -0.04 1.87 0.00 -0.20 0.13 119.26 122.36 2roq h ALA 190 Ca 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 190 Cb 0.02 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2roq h ALA 190 CO -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.75 2roq h ALA 191 N 1.45 1.89 -0.39 0.00 0.00 -1.15 -1.71 119.26 119.36 2roq h ALA 191 Ca 0.22 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2roq h ALA 191 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2roq h ALA 191 CO -0.47 0.08 -0.16 0.00 0.00 0.00 0.00 179.25 178.71 2roq h ARG 192 N 0.06 0.72 0.14 0.00 -0.00 -0.06 -2.13 114.38 113.11 2roq h ARG 192 Ca 0.01 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.98 59.23 2roq h ARG 192 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.99 2roq h ARG 192 CO 0.00 0.84 -0.07 -0.07 0.00 0.00 0.00 179.97 180.68 2roq h LEU 193 N 0.65 -0.16 -2.08 3.04 3.38 -0.62 0.28 115.31 119.79 2roq h LEU 193 Ca 0.10 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2roq h LEU 193 Cb 0.63 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2roq h LEU 193 CO 0.04 0.42 0.33 -0.09 0.09 0.00 0.00 178.44 179.24 2roq h ARG 194 N -0.85 0.00 0.00 1.13 1.12 -1.41 0.79 114.38 115.16 2roq h ARG 194 Ca -0.02 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.66 2roq h ARG 194 Cb 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.46 2roq h ARG 194 CO 0.03 0.00 -1.81 0.00 -3.11 0.00 0.00 179.97 175.08 2roq n ALA 195 N -2.37 1.99 0.26 2.80 0.00 -0.80 -4.08 120.51 118.31 2roq n ALA 195 Ca 0.05 -0.76 0.15 0.00 0.00 0.00 0.00 53.44 52.89 2roq n ALA 195 Cb 0.49 -0.70 0.62 0.00 0.00 0.00 0.00 19.45 19.87 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 0.20 -3.46 114.38 113.59 2roq h ARG 196 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2roq h ARG 196 Cb 1.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.97 2roq h ARG 196 CO 0.03 0.06 0.00 0.41 0.56 0.00 0.00 179.97 181.03 2roq n GLY 197 N 0.06 1.61 3.69 0.04 0.00 -0.75 -5.06 105.19 104.78 2roq n GLY 197 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.13 2.08 -0.13 1.61 2.02 -0.82 -5.05 118.70 118.27 2roq s GLU 198 Ca 0.00 -2.16 0.02 0.00 0.02 0.00 0.00 54.97 52.84 2roq s GLU 198 Cb 0.00 -1.67 0.02 0.00 0.10 0.00 0.00 34.13 32.58 2roq s GLU 198 CO 0.00 -0.17 -0.17 1.14 0.02 0.00 0.00 175.26 176.07 2roq s GLN 199 N -3.81 2.49 -0.15 1.61 0.00 -1.26 -4.10 119.66 114.44 2roq s GLN 199 Ca 0.27 -0.65 -0.26 0.00 -0.00 0.00 0.00 55.36 54.72 2roq s GLN 199 Cb 0.06 -2.11 -0.02 0.00 0.00 0.00 0.00 33.01 30.94 2roq s GLN 199 CO 0.14 -0.09 0.84 0.14 0.00 0.00 0.00 175.29 176.32 2roq s VAL 200 N 1.06 4.89 -0.01 3.63 -7.23 -1.26 -4.31 120.40 117.16 2roq s VAL 200 Ca -0.04 1.65 -0.23 0.00 -1.81 0.00 0.00 61.98 61.56 2roq s VAL 200 Cb -0.15 -4.15 -0.14 0.00 0.56 0.00 0.00 36.38 32.51 2roq s VAL 200 CO -0.04 0.04 1.01 0.00 -0.31 0.00 0.00 175.10 175.80 2roq h ALA 201 N 7.27 -0.50 -1.01 1.32 0.00 -1.83 -3.44 119.26 121.07 2roq h ALA 201 Ca -0.30 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.60 2roq h ALA 201 Cb 1.14 0.19 -0.28 0.00 0.00 0.00 0.00 17.79 18.84 2roq h ALA 201 CO 0.83 -0.55 0.47 0.12 0.00 0.00 0.00 179.25 180.11 2roq s PHE 202 N -4.13 -0.38 0.15 0.00 2.19 -1.18 -4.69 117.98 109.95 2roq s PHE 202 Ca -0.13 0.71 0.11 0.00 0.33 0.00 0.00 56.93 57.95 2roq s PHE 202 Cb 0.01 0.23 -0.04 0.00 -1.31 0.00 0.00 43.02 41.91 2roq s PHE 202 CO 0.45 -0.19 -0.26 -0.48 1.83 0.00 0.00 175.22 176.57 2roq s LEU 203 N 1.68 2.37 0.03 6.12 0.05 -1.23 -2.46 118.68 125.24 2roq s LEU 203 Ca -0.05 -0.79 -0.01 0.00 0.05 0.00 0.00 54.13 53.32 2roq s LEU 203 Cb -0.03 -1.20 -0.04 0.00 -2.05 0.00 0.00 46.19 42.86 2roq s LEU 203 CO -0.14 0.16 0.20 -0.83 -0.55 0.00 0.00 176.35 175.18 2roq s GLY 204 N -2.30 2.19 -0.09 -3.48 0.00 0.10 -2.51 107.32 101.23 2roq s GLY 204 Ca 0.17 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2roq s GLY 204 CO 0.07 -0.73 0.07 1.08 0.00 0.00 0.00 173.10 173.59 2roq s LEU 205 N -2.24 0.23 -0.15 0.66 1.43 0.04 -0.01 118.68 118.65 2roq s LEU 205 Ca 0.31 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2roq s LEU 205 Cb -0.13 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 2roq s LEU 205 CO 0.24 -0.28 -0.09 -0.22 0.23 0.00 0.00 176.35 176.22 2roq s LEU 206 N 2.15 2.93 0.00 1.79 2.96 -1.07 -1.51 118.68 125.93 2roq s LEU 206 Ca 0.04 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2roq s LEU 206 Cb -0.13 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2roq s LEU 206 CO -0.05 0.15 0.00 -0.90 -1.32 0.00 0.00 176.35 174.23 2roq n ASP 207 N 3.62 0.00 0.09 3.68 5.68 -1.00 -3.04 116.55 125.58 2roq n ASP 207 Ca -0.18 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.24 2roq n ASP 207 Cb 0.52 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.94 2roq n ASP 207 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2roq n THR 208 N 0.10 0.54 -2.72 2.12 5.66 -1.26 -3.64 114.28 115.07 2roq n THR 208 Ca 0.00 -0.23 -0.03 0.00 -3.05 0.00 0.00 64.05 60.74 2roq n THR 208 Cb 0.00 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 2roq n THR 208 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 2roq n TRP 209 N -2.18 -2.70 -1.18 1.09 -0.00 -1.26 -4.46 117.44 106.75 2roq n TRP 209 Ca 0.06 1.06 -0.29 0.00 -0.00 0.00 0.00 57.50 58.33 2roq n TRP 209 Cb 0.41 -3.68 0.16 0.00 -0.00 0.00 0.00 31.31 28.20 2roq n TRP 209 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2roq s PRO 210 N -2.69 0.74 0.27 5.87 0.04 -1.26 -4.89 135.00 133.07 2roq s PRO 210 Ca 0.10 0.64 0.04 0.00 0.04 0.00 0.00 61.00 61.82 2roq s PRO 210 Cb -0.03 -1.76 0.36 0.00 0.04 0.00 0.00 34.50 33.11 2roq s PRO 210 CO 0.64 -2.55 1.65 -1.00 0.04 0.00 0.00 177.00 175.77 2roq h PRO 211 N -1.77 0.30 0.00 0.56 0.13 -1.95 -3.47 132.00 125.81 2roq h PRO 211 Ca -0.53 -0.16 -0.05 0.00 -0.87 0.00 0.00 66.00 64.39 2roq h PRO 211 Cb 1.31 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2roq h PRO 211 CO 0.56 0.70 -0.05 -1.91 -0.23 0.00 0.00 178.00 177.07 2roq n GLU 212 N -3.99 0.35 -1.27 0.86 2.13 -1.26 -5.05 120.64 112.41 2roq n GLU 212 Ca -0.02 -0.36 -0.28 0.00 0.66 0.00 0.00 57.16 57.17 2roq n GLU 212 Cb 0.52 0.26 0.14 0.00 0.27 0.00 0.00 31.44 32.63 2roq n GLU 212 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2roq n THR 213 N -0.08 3.34 -3.09 6.31 -2.24 -1.26 -4.98 114.28 112.29 2roq n THR 213 Ca 0.00 -2.41 -0.23 0.00 -2.27 0.00 0.00 64.05 59.13 2roq n THR 213 Cb 0.06 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 2roq n THR 213 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2roq s GLN 214 N -3.52 3.22 -0.25 -0.78 2.00 -1.26 -4.92 119.66 114.15 2roq s GLN 214 Ca 0.60 -0.42 -0.10 0.00 -2.00 0.00 0.00 55.36 53.44 2roq s GLN 214 Cb 0.49 -2.58 -0.05 0.00 0.80 0.00 0.00 33.01 31.67 2roq s GLN 214 CO 0.05 -0.13 0.15 0.54 -0.50 0.00 0.00 175.29 175.40 2roq s ASN 215 N -4.16 5.94 0.00 6.67 2.20 -1.26 -4.95 114.94 119.39 2roq s ASN 215 Ca 0.46 0.04 0.24 0.00 -0.94 0.00 0.00 52.86 52.65 2roq s ASN 215 Cb -0.10 -2.08 0.26 0.00 -2.00 0.00 0.00 41.25 37.33 2roq s ASN 215 CO 0.38 0.03 1.28 -2.67 -2.94 0.00 0.00 177.10 173.17 2roq n TRP 216 N 4.54 0.00 1.34 1.54 2.14 -1.26 -4.05 117.44 121.69 2roq n TRP 216 Ca -0.15 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.56 2roq n TRP 216 Cb 0.52 -0.01 0.60 0.00 -0.81 0.00 0.00 31.31 31.61 2roq n TRP 216 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2roq n GLN 217 N 0.56 0.54 -0.60 -2.67 0.00 -1.26 -3.74 117.38 110.20 2roq n GLN 217 Ca 0.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.00 56.92 2roq n GLN 217 Cb 0.50 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.20 2roq n GLN 217 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2roq n GLU 218 N -1.09 1.21 -3.42 3.69 0.00 -1.26 -4.71 120.64 115.06 2roq n GLU 218 Ca 0.13 -0.30 -0.16 0.00 0.00 0.00 0.00 57.16 56.82 2roq n GLU 218 Cb 0.28 -1.35 0.02 0.00 0.00 0.00 0.00 31.44 30.39 2roq n GLU 218 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2roq n LYS 219 N 1.89 -1.45 -0.01 5.31 4.81 -1.26 -4.86 118.16 122.59 2roq n LYS 219 Ca 0.13 0.95 0.09 0.00 -0.87 0.00 0.00 58.31 58.61 2roq n LYS 219 Cb 0.58 -4.58 0.52 0.00 0.02 0.00 0.00 35.03 31.57 2roq n LYS 219 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2roq n GLU 220 N -2.87 1.10 -3.85 1.64 1.02 -1.25 -4.88 120.64 111.56 2roq n GLU 220 Ca -0.10 -0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.59 2roq n GLU 220 Cb 0.58 -1.30 0.02 0.00 -0.02 0.00 0.00 31.44 30.73 2roq n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2roq n ALA 221 N -0.63 -1.24 0.00 0.62 0.00 -1.26 -4.46 120.51 113.53 2roq n ALA 221 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2roq n ALA 221 Cb 0.10 -4.32 0.00 0.00 0.00 0.00 0.00 19.45 15.23 2roq n ALA 221 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2roq n ASN 222 N -2.77 0.00 0.06 0.00 6.94 -1.26 -4.96 115.26 113.27 2roq n ASN 222 Ca 0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.57 2roq n ASN 222 Cb 0.53 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.87 2roq n ASN 222 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2roq h GLY 223 N 0.00 0.00 -7.39 4.83 0.00 -1.80 -3.41 103.07 95.29 2roq h GLY 223 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 2roq h GLY 223 CO 0.00 0.00 -0.33 1.08 0.00 0.00 0.00 176.54 177.29 2roq s LEU 224 N -6.33 5.76 0.15 3.11 1.43 -1.26 -4.98 118.68 116.55 2roq s LEU 224 Ca 0.00 -2.14 0.05 0.00 -1.03 0.00 0.00 54.13 51.01 2roq s LEU 224 Cb 0.09 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2roq s LEU 224 CO 0.80 -0.63 0.10 -1.81 0.23 0.00 0.00 176.35 175.03 2roq s ASP 225 N 2.33 5.36 0.00 2.29 1.11 -1.26 -4.86 116.67 121.63 2roq s ASP 225 Ca 0.09 -0.16 0.15 0.00 0.18 0.00 0.00 52.55 52.81 2roq s ASP 225 Cb -0.24 -1.36 0.90 0.00 1.07 0.00 0.00 42.92 43.30 2roq s ASP 225 CO -0.02 0.09 1.32 -0.81 1.18 0.00 0.00 175.17 176.93 2roq n PRO 226 N -0.13 0.49 -0.13 8.23 -0.04 -1.26 -2.83 135.00 139.33 2roq n PRO 226 Ca -0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 2roq n PRO 226 Cb 0.54 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 2roq n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 227 N -0.98 0.60 -0.06 0.54 1.02 -1.26 -3.59 120.64 116.91 2roq n GLU 227 Ca 0.11 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.41 2roq n GLU 227 Cb 0.05 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 2roq n GLU 227 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2roq h VAL 228 N -0.80 1.15 -0.33 2.62 3.04 -1.94 0.31 116.25 120.29 2roq h VAL 228 Ca -0.66 -0.44 -0.06 0.00 -1.01 0.00 0.00 66.70 64.54 2roq h VAL 228 Cb 1.66 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 2roq h VAL 228 CO -0.34 0.15 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.26 2roq h LEU 229 N 0.20 0.61 -1.36 3.16 3.38 -1.77 -2.07 115.31 117.46 2roq h LEU 229 Ca 0.07 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2roq h LEU 229 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2roq h LEU 229 CO -0.01 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.32 2roq h ALA 230 N 0.83 1.00 0.04 1.53 0.00 -1.59 -2.11 119.26 118.96 2roq h ALA 230 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 230 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2roq h ALA 230 CO 0.02 0.00 -0.41 0.93 0.00 0.00 0.00 179.25 179.80 2roq h GLU 231 N 0.00 0.20 -0.30 0.00 5.08 -0.04 -2.11 114.58 117.40 2roq h GLU 231 Ca 0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 2roq h GLU 231 Cb 0.52 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2roq h GLU 231 CO 0.00 1.06 -0.34 -0.84 -1.00 0.00 0.00 179.01 177.89 2roq h ILE 232 N -0.54 1.29 -0.16 3.13 3.07 -1.32 0.30 117.51 123.28 2roq h ILE 232 Ca -0.06 -1.49 -0.16 0.00 1.55 0.00 0.00 64.86 64.69 2roq h ILE 232 Cb 1.24 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 39.21 2roq h ILE 232 CO 0.08 0.48 -0.59 0.78 -1.05 0.00 0.00 178.15 177.85 2roq h ASN 233 N 0.56 0.58 1.25 2.16 4.21 -1.49 -2.12 115.58 120.74 2roq h ASN 233 Ca 0.06 -0.33 -0.12 0.00 1.21 0.00 0.00 56.30 57.12 2roq h ASN 233 Cb 0.86 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 2roq h ASN 233 CO 0.07 1.04 -0.78 0.03 -1.29 0.00 0.00 177.43 176.51 2roq h ARG 234 N 0.39 0.00 -0.07 0.81 3.08 -1.27 -2.12 114.38 115.20 2roq h ARG 234 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2roq h ARG 234 Cb 1.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.20 2roq h ARG 234 CO 0.11 0.45 -0.88 0.93 -1.07 0.00 0.00 179.97 179.51 2roq h GLU 235 N 0.00 0.64 0.11 0.04 4.39 -0.33 -2.13 114.58 117.29 2roq h GLU 235 Ca -0.05 -0.60 -0.17 0.00 0.34 0.00 0.00 59.36 58.88 2roq h GLU 235 Cb 1.44 0.15 0.01 0.00 -0.10 0.00 0.00 28.75 30.25 2roq h GLU 235 CO 0.06 1.21 -0.81 0.07 -1.16 0.00 0.00 179.01 178.38 2roq h ARG 236 N 0.40 0.23 -0.14 2.33 0.11 -1.48 -2.12 114.38 113.73 2roq h ARG 236 Ca -0.08 -0.40 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2roq h ARG 236 Cb 1.51 0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.73 2roq h ARG 236 CO 0.17 1.19 -0.02 1.05 0.10 0.00 0.00 179.97 182.46 2roq h GLU 237 N -0.48 0.19 0.00 0.08 -0.00 -1.49 -1.97 114.58 110.90 2roq h GLU 237 Ca -0.16 -0.03 -0.21 0.00 -0.00 0.00 0.00 59.36 58.97 2roq h GLU 237 Cb 1.55 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 30.23 2roq h GLU 237 CO 0.10 0.23 -1.17 0.00 -0.00 0.00 0.00 179.01 178.17 2roq h ALA 238 N 1.79 0.58 -0.04 1.06 0.00 -1.48 -2.55 119.26 118.63 2roq h ALA 238 Ca 0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 2roq h ALA 238 Cb 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2roq h ALA 238 CO 0.01 1.17 -0.47 0.35 0.00 0.00 0.00 179.25 180.31 2roq h PHE 239 N 0.00 0.11 0.03 0.00 3.04 -0.71 -0.50 116.94 118.92 2roq h PHE 239 Ca -0.11 -0.03 -0.31 0.00 3.98 0.00 0.00 57.97 61.50 2roq h PHE 239 Cb 1.73 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 40.18 2roq h PHE 239 CO 0.00 0.54 -1.74 -0.07 -2.02 0.00 0.00 178.31 175.02 2roq h LEU 240 N 0.08 0.11 -0.66 0.59 4.07 -1.47 -3.33 115.31 114.70 2roq h LEU 240 Ca 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2roq h LEU 240 Cb 0.86 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.56 2roq h LEU 240 CO 0.06 1.21 0.00 0.00 -1.08 0.00 0.00 178.44 178.64 2roq n ALA 241 N -2.65 2.59 -0.07 1.53 0.00 -0.96 -3.61 120.51 117.34 2roq n ALA 241 Ca -0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 53.44 52.82 2roq n ALA 241 Cb 1.05 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 2roq n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ALA 242 N 4.10 0.03 -1.49 0.00 0.00 -1.19 -3.40 119.26 117.31 2roq h ALA 242 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2roq h ALA 242 Cb 0.32 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 242 CO 0.00 0.26 0.00 0.94 0.00 0.00 0.00 179.25 180.45 2roq n GLN 243 N -4.66 0.00 0.08 0.00 7.27 -1.26 -4.78 117.38 114.03 2roq n GLN 243 Ca -0.07 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.54 2roq n GLN 243 Cb 0.23 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.63 2roq n GLN 243 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2roq n GLN 244 N -1.70 0.00 0.00 3.69 0.00 -1.26 -5.10 117.38 113.01 2roq n GLN 244 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2roq n GLN 244 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 30.24 29.91 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2roq n GLY 245 N 2.79 1.44 2.46 1.69 0.00 -1.24 -4.89 105.19 107.44 2roq n GLY 245 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 4.07 -5.57 -4.34 1.61 7.64 -1.26 -4.86 113.62 110.90 2roq n SER 246 Ca 0.00 0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.75 2roq n SER 246 Cb 0.00 -4.69 -0.15 0.00 -1.01 0.00 0.00 64.21 58.36 2roq n SER 246 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2roq s THR 247 N -2.89 2.58 -0.13 0.44 2.01 -1.26 -5.01 115.64 111.38 2roq s THR 247 Ca 0.00 -0.87 0.17 0.00 0.31 0.00 0.00 61.69 61.30 2roq s THR 247 Cb 0.00 -2.00 -0.15 0.00 0.01 0.00 0.00 72.50 70.36 2roq s THR 247 CO 0.00 0.56 0.76 -1.20 -0.69 0.00 0.00 174.62 174.05 2roq n SER 248 N 2.98 0.76 0.00 3.53 7.64 -1.26 -4.88 113.62 122.38 2roq n SER 248 Ca -0.18 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2roq n SER 248 Cb 0.52 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 -2.83 0.00 -0.00 0.44 -2.24 -1.26 -5.01 114.28 103.37 2roq n THR 249 Ca -0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 2roq n THR 249 Cb 0.83 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.14 0.71 -0.78 4.57 -1.98 0.51 114.58 117.47 2roq h GLU 250 Ca 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2roq h GLU 250 Cb 0.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2roq h GLU 250 CO 0.00 -0.09 -0.45 1.25 -1.18 0.00 0.00 179.01 178.54 2roq h LEU 251 N -0.15 -1.14 -0.61 1.64 6.46 -1.96 -2.12 115.31 117.44 2roq h LEU 251 Ca 0.01 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 2roq h LEU 251 Cb 0.17 0.34 -0.09 0.00 -0.73 0.00 0.00 40.66 40.35 2roq h LEU 251 CO -0.11 -0.69 -0.52 -0.26 -0.62 0.00 0.00 178.44 176.24 2roq h PHE 252 N -1.09 -1.64 -1.00 1.25 0.04 -1.91 0.37 116.94 112.96 2roq h PHE 252 Ca -0.09 0.09 0.24 0.00 2.80 0.00 0.00 57.97 61.01 2roq h PHE 252 Cb 0.88 0.79 -0.12 0.00 2.20 0.00 0.00 35.95 39.70 2roq h PHE 252 CO -0.11 -0.40 0.58 1.15 -0.60 0.00 0.00 178.31 178.93 2roq h THR 253 N -0.20 0.55 -0.28 -1.55 2.02 0.09 0.34 112.91 113.86 2roq h THR 253 Ca 0.10 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 2roq h THR 253 Cb 0.47 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2roq h THR 253 CO -0.68 0.11 -0.35 0.74 0.37 0.00 0.00 175.52 175.71 2roq h THR 254 N 0.59 1.29 0.21 3.16 2.02 0.26 0.16 112.91 120.60 2roq h THR 254 Ca 0.63 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2roq h THR 254 Cb 1.18 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2roq h THR 254 CO -0.47 0.48 -0.10 0.40 0.37 0.00 0.00 175.52 176.19 2roq h ILE 255 N 0.53 0.00 -0.84 3.11 1.08 0.28 -2.05 117.51 119.61 2roq h ILE 255 Ca 0.06 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2roq h ILE 255 Cb 0.85 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2roq h ILE 255 CO 0.07 0.00 0.55 1.05 -0.69 0.00 0.00 178.15 179.14 2roq h GLU 256 N -0.62 1.04 -0.72 2.37 -0.00 -0.88 -1.99 114.58 113.78 2roq h GLU 256 Ca -0.03 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.36 59.21 2roq h GLU 256 Cb 0.22 -0.23 -0.03 0.00 -0.00 0.00 0.00 28.75 28.70 2roq h GLU 256 CO 0.05 0.69 0.21 0.78 -0.00 0.00 0.00 179.01 180.73 2roq h GLY 257 N 1.07 1.22 0.68 1.06 0.00 -0.78 0.15 103.07 106.46 2roq h GLY 257 Ca 0.33 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2roq h GLY 257 CO -0.09 0.69 -0.13 -0.57 0.00 0.00 0.00 176.54 176.44 2roq h ASN 258 N 1.08 -0.30 -0.84 0.19 -0.73 -0.76 -2.11 115.58 112.10 2roq h ASN 258 Ca 0.23 -0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 2roq h ASN 258 Cb 0.33 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 38.96 2roq h ASN 258 CO -0.00 0.04 0.40 0.22 -0.37 0.00 0.00 177.43 177.72 2roq h TYR 259 N -0.68 1.22 -0.59 0.67 5.03 -1.37 -2.06 116.97 119.19 2roq h TYR 259 Ca -0.04 -0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.25 2roq h TYR 259 Cb 0.47 -0.38 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 2roq h TYR 259 CO 0.02 0.88 0.35 0.00 -1.32 0.00 0.00 178.16 178.09 2roq h ALA 260 N 1.22 0.77 -0.40 1.82 0.00 -0.69 0.49 119.26 122.47 2roq h ALA 260 Ca 0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2roq h ALA 260 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2roq h ALA 260 CO -0.04 0.06 -0.12 -0.44 0.00 0.00 0.00 179.25 178.72 2roq h ASP 261 N 0.68 0.69 -0.29 0.00 3.32 -1.08 -0.82 116.42 118.92 2roq h ASP 261 Ca 0.25 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2roq h ASP 261 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2roq h ASP 261 CO -0.12 0.84 -0.10 0.00 -1.72 0.00 0.00 179.24 178.13 2roq h ALA 262 N 1.23 0.41 0.00 3.45 0.00 -0.69 0.40 119.26 124.06 2roq h ALA 262 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2roq h ALA 262 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2roq h ALA 262 CO 0.04 0.26 0.00 1.55 0.00 0.00 0.00 179.25 181.10 2roq n VAL 263 N -4.45 0.27 0.10 0.00 3.14 0.10 -1.73 118.33 115.76 2roq n VAL 263 Ca -0.03 0.07 0.08 0.00 -2.96 0.00 0.00 64.34 61.49 2roq n VAL 263 Cb 0.34 -0.64 -0.12 0.00 -1.06 0.00 0.00 33.84 32.37 2roq n VAL 263 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2roq n ARG 264 N -1.47 0.70 -0.00 1.45 0.63 -0.32 -4.39 116.66 113.25 2roq n ARG 264 Ca 0.07 -0.12 0.10 0.00 -0.92 0.00 0.00 57.85 56.98 2roq n ARG 264 Cb 0.28 -1.35 -0.12 0.00 0.45 0.00 0.00 32.46 31.72 2roq n ARG 264 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2roq n LEU 265 N -1.94 0.90 0.20 6.15 -0.00 0.14 -4.24 117.00 118.20 2roq n LEU 265 Ca -0.02 -0.46 0.14 0.00 -0.00 0.00 0.00 56.01 55.67 2roq n LEU 265 Cb 0.38 0.00 0.71 0.00 -0.00 0.00 0.00 43.42 44.51 2roq n LEU 265 CO 0.33 0.23 0.91 0.17 -0.00 0.00 0.00 177.39 179.02 2roq h LEU 266 N 0.00 0.00 -0.27 1.47 8.10 -1.54 -1.19 115.31 121.88 2roq h LEU 266 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.78 2roq h LEU 266 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2roq h LEU 266 CO 0.00 0.00 -0.84 0.00 -4.11 0.00 0.00 178.44 173.49 2roq h THR 267 N 0.00 1.38 0.00 0.15 1.03 -1.86 -3.23 112.91 110.38 2roq h THR 267 Ca 0.00 -2.27 -0.12 0.00 -0.01 0.00 0.00 66.41 64.01 2roq h THR 267 Cb 0.05 2.25 -0.02 0.00 -1.07 0.00 0.00 68.15 69.35 2roq h THR 267 CO 0.00 0.68 -0.97 0.74 -0.01 0.00 0.00 175.52 175.96 2roq h THR 268 N 0.28 0.57 -3.24 0.00 2.02 -1.53 -3.47 112.91 107.55 2roq h THR 268 Ca -0.06 -1.95 -0.57 0.00 0.77 0.00 0.00 66.41 64.60 2roq h THR 268 Cb 1.45 2.13 0.11 0.00 -1.74 0.00 0.00 68.15 70.10 2roq h THR 268 CO 0.15 0.33 0.47 0.00 0.37 0.00 0.00 175.52 176.83 2roq n ALA 269 N -2.30 1.13 -2.04 6.16 0.00 -0.86 -4.98 120.51 117.63 2roq n ALA 269 Ca -0.04 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 2roq n ALA 269 Cb 0.76 -2.23 0.03 0.00 0.00 0.00 0.00 19.45 18.01 2roq n ALA 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2roq s HIS 270 N -1.10 3.36 -0.30 0.00 3.76 -1.26 -5.01 115.29 114.74 2roq s HIS 270 Ca 0.56 0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 56.29 2roq s HIS 270 Cb -0.58 -2.76 0.11 0.00 1.11 0.00 0.00 32.58 30.46 2roq s HIS 270 CO 0.62 -0.82 0.14 -1.12 -0.85 0.00 0.00 174.74 172.71 2roq s SER 271 N -4.27 3.51 -0.09 1.40 0.01 -1.26 -4.55 113.70 108.44 2roq s SER 271 Ca 0.54 -1.49 0.03 0.00 1.31 0.00 0.00 55.95 56.34 2roq s SER 271 Cb -0.11 -0.42 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 2roq s SER 271 CO 0.48 -0.41 -0.18 -0.69 0.41 0.00 0.00 173.24 172.85 2roq s VAL 272 N 1.86 2.67 0.91 3.43 1.01 -1.26 -4.99 120.40 124.03 2roq s VAL 272 Ca 0.11 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2roq s VAL 272 Cb -0.17 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.29 2roq s VAL 272 CO -0.29 0.56 1.09 -2.16 0.00 0.00 0.00 175.10 174.30 2roq s PRO 273 N -0.01 1.12 0.13 2.72 0.04 -1.26 -4.27 135.00 133.48 2roq s PRO 273 Ca -0.06 0.77 0.04 0.00 0.04 0.00 0.00 61.00 61.80 2roq s PRO 273 Cb -0.15 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2roq s PRO 273 CO 0.05 -2.32 -0.10 -0.59 0.04 0.00 0.00 177.00 174.07 2roq s PHE 274 N -2.94 1.21 -0.72 0.56 -0.71 -1.26 -4.56 117.98 109.56 2roq s PHE 274 Ca 0.64 -0.72 0.02 0.00 -1.04 0.00 0.00 56.93 55.83 2roq s PHE 274 Cb -0.18 -0.63 0.18 0.00 -1.21 0.00 0.00 43.02 41.18 2roq s PHE 274 CO 0.57 0.06 0.53 0.34 -1.34 0.00 0.00 175.22 175.38 2roq s ASP 275 N -2.92 5.12 0.00 1.98 -1.08 -1.26 -4.84 116.67 113.67 2roq s ASP 275 Ca 0.13 -3.59 0.00 0.00 -0.52 0.00 0.00 52.55 48.57 2roq s ASP 275 Cb 0.01 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.73 2roq s ASP 275 CO 0.00 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.14 2roq n GLY 276 N 2.40 1.98 3.00 2.66 0.00 -1.26 -5.02 105.19 108.96 2roq n GLY 276 Ca 0.17 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 4.61 1.03 0.08 1.61 2.20 -1.26 -3.58 119.74 124.44 2roq s LYS 277 Ca 0.00 -0.32 -0.24 0.00 -0.36 0.00 0.00 55.97 55.06 2roq s LYS 277 Cb 0.00 -0.95 0.06 0.00 -1.51 0.00 0.00 37.83 35.43 2roq s LYS 277 CO 0.00 0.11 0.58 0.00 -0.36 0.00 0.00 175.35 175.67 2roq s ALA 278 N 0.24 -1.50 -0.14 3.13 0.00 -1.22 -3.52 121.76 118.75 2roq s ALA 278 Ca -0.04 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 2roq s ALA 278 Cb -0.09 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 2roq s ALA 278 CO 0.01 -0.61 0.26 0.99 0.00 0.00 0.00 175.76 176.41 2roq s THR 279 N -2.89 5.32 -0.25 0.00 2.01 -1.05 -3.46 115.64 115.32 2roq s THR 279 Ca -0.03 0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 2roq s THR 279 Cb -0.00 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.96 2roq s THR 279 CO -0.05 0.46 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.05 2roq s LEU 280 N 0.00 3.29 -0.39 4.42 1.98 -1.23 -0.78 118.68 125.97 2roq s LEU 280 Ca 0.16 -1.02 -0.17 0.00 -2.89 0.00 0.00 54.13 50.21 2roq s LEU 280 Cb -0.13 -1.64 0.01 0.00 0.66 0.00 0.00 46.19 45.09 2roq s LEU 280 CO 0.04 -0.15 0.46 0.12 -1.89 0.00 0.00 176.35 174.93 2roq s PHE 281 N 1.27 3.17 0.30 5.38 2.19 -0.57 -3.40 117.98 126.32 2roq s PHE 281 Ca -0.02 -0.15 -0.05 0.00 0.33 0.00 0.00 56.93 57.05 2roq s PHE 281 Cb -0.17 -2.91 -0.05 0.00 -1.31 0.00 0.00 43.02 38.58 2roq s PHE 281 CO -0.05 -0.63 0.57 0.14 1.83 0.00 0.00 175.22 177.08 2roq s VAL 282 N 2.25 5.02 -0.43 3.12 -7.23 -1.23 -2.38 120.40 119.52 2roq s VAL 282 Ca 0.15 0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.31 2roq s VAL 282 Cb -0.16 -3.75 0.11 0.00 0.56 0.00 0.00 36.38 33.14 2roq s VAL 282 CO 0.14 -0.36 0.23 0.00 -0.31 0.00 0.00 175.10 174.80 2roq s ALA 283 N -2.13 3.21 0.17 1.32 0.00 -1.24 -3.79 121.76 119.29 2roq s ALA 283 Ca 0.44 -2.59 0.35 0.00 0.00 0.00 0.00 51.96 50.16 2roq s ALA 283 Cb -0.11 -2.47 1.61 0.00 0.00 0.00 0.00 23.12 22.16 2roq s ALA 283 CO 0.31 -1.83 2.04 1.49 0.00 0.00 0.00 175.76 177.77 2roq h GLU 284 N 8.02 0.00 0.00 0.00 4.81 -0.81 0.15 114.58 126.74 2roq h GLU 284 Ca -0.13 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2roq h GLU 284 Cb 1.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2roq h GLU 284 CO 0.71 0.00 -0.26 0.07 -0.73 0.00 0.00 179.01 178.80 2roq h ARG 285 N 0.00 0.00 0.00 1.92 -0.00 -1.84 -3.18 114.38 111.28 2roq h ARG 285 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 2roq h ARG 285 Cb 0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.25 2roq h ARG 285 CO 0.00 0.26 -0.43 0.25 -0.00 0.00 0.00 179.97 180.05 2roq n THR 286 N -4.08 0.61 -1.65 0.08 -2.24 -0.88 -5.02 114.28 101.09 2roq n THR 286 Ca -0.02 -0.88 -0.51 0.00 -2.27 0.00 0.00 64.05 60.37 2roq n THR 286 Cb 0.32 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 2roq n THR 286 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2roq n LEU 287 N -0.37 2.48 -0.01 3.22 4.77 0.48 -4.92 117.00 122.65 2roq n LEU 287 Ca 0.06 1.08 -0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2roq n LEU 287 Cb 0.74 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2roq n LEU 287 CO -0.00 -0.55 -0.02 -0.61 -1.33 0.00 0.00 177.39 174.87 2roq h GLN 288 N 6.27 0.00 -1.12 3.23 4.15 -1.86 -3.43 115.11 122.35 2roq h GLN 288 Ca -0.47 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.37 2roq h GLN 288 Cb 1.30 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.57 2roq h GLN 288 CO 0.87 0.00 -0.68 -1.91 -1.93 0.00 0.00 178.83 175.19 2roq n GLU 289 N -2.44 3.49 0.00 1.69 2.13 -1.26 -4.66 120.64 119.59 2roq n GLU 289 Ca -0.00 -4.27 0.00 0.00 0.66 0.00 0.00 57.16 53.54 2roq n GLU 289 Cb 0.02 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.46 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 -0.61 0.00 3.59 8.31 0.00 -1.26 -5.00 105.19 110.22 2roq n GLY 290 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.64 3.59 -0.28 1.61 0.23 -1.26 -4.93 119.30 116.62 2roq s MET 291 Ca 0.00 0.64 -0.38 0.00 -1.03 0.00 0.00 55.69 54.91 2roq s MET 291 Cb 0.00 -3.99 0.16 0.00 -1.53 0.00 0.00 34.83 29.47 2roq s MET 291 CO 0.00 -1.56 1.38 -1.54 -2.03 0.00 0.00 175.02 171.27 2roq s SER 292 N 3.28 -0.02 -1.13 -1.18 1.04 -1.26 -5.05 113.70 109.38 2roq s SER 292 Ca 0.52 -0.00 -0.23 0.00 0.48 0.00 0.00 55.95 56.73 2roq s SER 292 Cb -0.10 0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.94 2roq s SER 292 CO 0.31 -0.03 1.93 -0.81 0.98 0.00 0.00 173.24 175.62 2roq n PRO 293 N -0.04 1.58 -1.94 4.02 -0.04 -1.26 -4.75 135.00 132.57 2roq n PRO 293 Ca 0.04 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 2roq n PRO 293 Cb 0.57 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 2roq n PRO 293 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roq n GLU 294 N 8.11 0.00 -0.02 0.54 2.13 -1.26 -5.05 120.64 125.09 2roq n GLU 294 Ca 0.46 -0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.26 2roq n GLU 294 Cb 0.46 0.01 -0.05 0.00 0.27 0.00 0.00 31.44 32.12 2roq n GLU 294 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2roq n ARG 295 N -0.01 1.99 -2.26 5.31 5.12 -1.26 -5.11 116.66 120.44 2roq n ARG 295 Ca 0.00 -0.02 -0.02 0.00 -1.93 0.00 0.00 57.85 55.87 2roq n ARG 295 Cb 0.00 -1.17 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 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 -2.08 -2.85 -2.66 7.54 0.00 -1.26 -5.01 120.51 114.20 2roq n ALA 296 Ca -0.08 1.19 -0.31 0.00 0.00 0.00 0.00 53.44 54.24 2roq n ALA 296 Cb 0.54 -2.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 2roq n ALA 296 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s TRP 297 N -0.53 3.47 -0.49 0.00 0.51 -1.26 -5.05 118.94 115.59 2roq s TRP 297 Ca -0.12 0.57 0.06 0.00 -2.12 0.00 0.00 56.10 54.50 2roq s TRP 297 Cb 0.01 -2.02 0.23 0.00 -0.81 0.00 0.00 33.47 30.88 2roq s TRP 297 CO 0.31 0.42 0.86 0.43 -0.51 0.00 0.00 176.95 178.45 2roq n SER 298 N 0.03 -2.98 -4.57 2.95 7.64 -1.26 -5.11 113.62 110.32 2roq n SER 298 Ca -0.02 -3.23 -0.40 0.00 1.01 0.00 0.00 58.87 56.23 2roq n SER 298 Cb 0.52 1.80 -0.03 0.00 -1.01 0.00 0.00 64.21 65.49 2roq n SER 298 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roq s PRO 299 N 0.71 2.93 0.00 1.43 0.04 -1.26 -4.25 135.00 134.60 2roq s PRO 299 Ca 0.32 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2roq s PRO 299 Cb 0.19 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2roq s PRO 299 CO -0.21 -2.36 0.00 1.87 0.04 0.00 0.00 177.00 176.34 2roq n TRP 300 N 11.64 -0.48 -1.21 0.56 -0.00 -1.26 -5.15 117.44 121.55 2roq n TRP 300 Ca 0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.41 2roq n TRP 300 Cb 0.50 0.10 0.22 0.00 -0.00 0.00 0.00 31.31 32.12 2roq n TRP 300 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 2roq s ILE 301 N -1.30 1.74 -0.12 5.87 -0.00 -1.26 -5.04 121.20 121.09 2roq s ILE 301 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.55 2roq s ILE 301 Cb 0.00 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.46 39.87 2roq s ILE 301 CO 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 174.94 174.75 2roq n ALA 302 N -4.50 0.48 -3.64 2.27 0.00 -1.26 -5.05 120.51 108.81 2roq n ALA 302 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 2roq n ALA 302 Cb 0.59 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 2roq n ALA 302 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2roq s GLU 303 N -2.18 0.53 0.26 0.00 2.12 -1.23 -5.10 118.70 113.11 2roq s GLU 303 Ca -0.16 0.91 -0.21 0.00 0.36 0.00 0.00 54.97 55.88 2roq s GLU 303 Cb 0.02 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.54 2roq s GLU 303 CO 0.24 -0.11 0.69 -0.48 -0.54 0.00 0.00 175.26 175.05 2roq s LEU 304 N 1.44 -0.24 -0.35 2.70 0.05 -1.26 -3.45 118.68 117.57 2roq s LEU 304 Ca -0.09 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.53 2roq s LEU 304 Cb -0.04 2.64 0.11 0.00 -2.05 0.00 0.00 46.19 46.84 2roq s LEU 304 CO -0.17 -1.29 0.12 -1.81 -0.55 0.00 0.00 176.35 172.65 2roq s ASP 305 N -2.91 4.17 -0.12 1.48 1.01 -1.22 -5.02 116.67 114.05 2roq s ASP 305 Ca 0.11 -2.02 -0.08 0.00 0.71 0.00 0.00 52.55 51.26 2roq s ASP 305 Cb -0.05 -1.13 -0.04 0.00 1.01 0.00 0.00 42.92 42.70 2roq s ASP 305 CO 0.05 -0.37 0.17 -0.51 0.21 0.00 0.00 175.17 174.72 2roq s ILE 306 N 1.11 5.45 -0.10 0.77 -1.16 -1.26 -3.46 121.20 122.54 2roq s ILE 306 Ca 0.12 0.27 0.03 0.00 -0.51 0.00 0.00 60.65 60.56 2roq s ILE 306 Cb -0.19 -3.45 0.01 0.00 0.61 0.00 0.00 42.46 39.44 2roq s ILE 306 CO -0.15 0.58 -0.19 -0.31 -2.81 0.00 0.00 174.94 172.06 2roq s TYR 307 N -0.76 2.23 -0.38 3.50 1.51 -1.22 -5.03 117.35 117.20 2roq s TYR 307 Ca 0.15 -0.96 -0.26 0.00 -1.01 0.00 0.00 57.07 54.98 2roq s TYR 307 Cb -0.12 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2roq s TYR 307 CO 0.04 -0.43 0.96 -0.98 -1.11 0.00 0.00 175.55 174.02 2roq s ARG 308 N 0.61 3.82 -0.10 -0.62 3.03 -1.26 -3.49 118.95 120.93 2roq s ARG 308 Ca -0.14 0.57 -0.12 0.00 2.03 0.00 0.00 55.73 58.08 2roq s ARG 308 Cb -0.17 -3.82 0.03 0.00 -1.03 0.00 0.00 34.95 29.96 2roq s ARG 308 CO 0.04 -1.01 0.32 -1.14 -1.13 0.00 0.00 175.30 172.38 2roq s GLN 309 N 3.60 0.44 -0.93 3.89 0.74 -1.25 -4.96 119.66 121.19 2roq s GLN 309 Ca 0.39 0.31 -0.24 0.00 0.05 0.00 0.00 55.36 55.87 2roq s GLN 309 Cb -0.11 0.21 0.03 0.00 1.10 0.00 0.00 33.01 34.24 2roq s GLN 309 CO 0.20 -0.07 1.50 0.16 -0.55 0.00 0.00 175.29 176.53 2roq s ASP 310 N -0.16 6.21 -0.19 6.67 -4.77 -1.26 -0.15 116.67 123.02 2roq s ASP 310 Ca -0.03 -1.08 -0.06 0.00 -3.30 0.00 0.00 52.55 48.07 2roq s ASP 310 Cb -0.03 -2.57 0.09 0.00 -1.09 0.00 0.00 42.92 39.33 2roq s ASP 310 CO 0.01 -1.77 0.40 0.00 0.70 0.00 0.00 175.17 174.51 2roq s ALA 312 N 2.59 2.38 0.66 0.00 0.00 -1.26 -4.41 121.76 121.73 2roq s ALA 312 Ca -0.01 0.78 0.40 0.00 0.00 0.00 0.00 51.96 53.14 2roq s ALA 312 Cb -0.12 -3.40 2.18 0.00 0.00 0.00 0.00 23.12 21.78 2roq s ALA 312 CO -0.12 -1.41 2.23 1.12 0.00 0.00 0.00 175.76 177.58 2roq h HIS 313 N 0.20 0.00 -0.00 0.00 2.07 -1.98 0.31 115.15 115.75 2roq h HIS 313 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2roq h HIS 313 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 2roq h HIS 313 CO 0.50 0.00 -0.95 1.33 -3.07 0.00 0.00 177.93 175.74 2roq n VAL 314 N -3.01 0.00 -0.04 6.12 0.24 -1.26 -4.25 118.33 116.13 2roq n VAL 314 Ca -0.03 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 2roq n VAL 314 Cb 0.17 0.97 -0.14 0.00 -1.47 0.00 0.00 33.84 33.37 2roq n VAL 314 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2roq n ASP 315 N -1.42 0.44 0.24 -1.34 9.92 0.95 -3.99 116.55 121.34 2roq n ASP 315 Ca 0.04 0.20 0.12 0.00 -0.53 0.00 0.00 54.79 54.63 2roq n ASP 315 Cb 0.34 0.62 0.52 0.00 -0.64 0.00 0.00 41.12 41.96 2roq n ASP 315 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2roq h ILE 316 N 0.00 0.39 0.00 0.53 2.04 -1.32 -2.66 117.51 116.48 2roq h ILE 316 Ca -0.33 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2roq h ILE 316 Cb 1.90 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2roq h ILE 316 CO 0.04 0.15 -0.51 -0.29 0.00 0.00 0.00 178.15 177.54 2roq h ILE 317 N 0.00 0.00 -3.73 -0.67 6.09 -1.74 -3.40 117.51 114.06 2roq h ILE 317 Ca -0.00 -0.83 -0.50 0.00 -1.37 0.00 0.00 64.86 62.16 2roq h ILE 317 Cb 0.68 1.55 0.21 0.00 0.47 0.00 0.00 36.82 39.72 2roq h ILE 317 CO 0.02 0.00 -0.09 -1.54 -3.07 0.00 0.00 178.15 173.47 2roq n SER 318 N -2.63 -0.80 0.00 2.19 3.41 -1.00 -4.86 113.62 109.93 2roq n SER 318 Ca 0.03 0.24 0.07 0.00 -0.26 0.00 0.00 58.87 58.95 2roq n SER 318 Cb 0.51 -1.34 0.37 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.71 0.20 -0.10 4.33 -0.04 -1.26 -3.27 135.00 131.16 2roq n PRO 319 Ca 0.08 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 2roq n PRO 319 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2roq n PRO 319 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2roq h GLY 320 N 2.43 0.00 1.87 0.55 0.00 -1.89 -3.30 103.07 102.74 2roq h GLY 320 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2roq h GLY 320 CO 0.00 0.00 0.05 -0.84 0.00 0.00 0.00 176.54 175.75 2roq h THR 321 N -1.00 0.71 -0.19 4.70 2.02 -1.73 -1.22 112.91 116.19 2roq h THR 321 Ca -0.27 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 2roq h THR 321 Cb 1.16 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2roq h THR 321 CO -0.16 0.00 -0.62 -0.26 0.37 0.00 0.00 175.52 174.85 2roq h PHE 322 N 0.00 0.87 0.00 3.16 0.04 -1.71 0.88 116.94 120.17 2roq h PHE 322 Ca 0.03 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.46 2roq h PHE 322 Cb 0.13 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2roq h PHE 322 CO 0.00 1.12 0.00 1.05 -0.60 0.00 0.00 178.31 179.88 2roq h GLU 323 N 0.50 0.00 0.00 1.51 -0.00 -1.32 -3.08 114.58 112.19 2roq h GLU 323 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2roq h GLU 323 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2roq h GLU 323 CO 0.12 0.00 -1.41 1.63 -0.00 0.00 0.00 179.01 179.35 2roq n LYS 324 N -2.38 0.68 -1.04 1.06 5.02 -0.80 -4.31 118.16 116.39 2roq n LYS 324 Ca 0.04 -0.09 -0.16 0.00 -2.02 0.00 0.00 58.31 56.08 2roq n LYS 324 Cb 0.38 -1.43 0.20 0.00 -0.02 0.00 0.00 35.03 34.17 2roq n LYS 324 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2roq n ILE 325 N -1.83 2.87 0.04 -0.18 3.06 0.29 -4.59 119.36 119.02 2roq n ILE 325 Ca -0.00 -1.62 -0.02 0.00 -2.50 0.00 0.00 62.75 58.61 2roq n ILE 325 Cb 0.40 -0.49 -0.01 0.00 0.54 0.00 0.00 39.64 40.09 2roq n ILE 325 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2roq h GLY 326 N 1.86 -0.12 1.78 4.50 0.00 -1.75 -3.25 103.07 106.10 2roq h GLY 326 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2roq h GLY 326 CO 0.88 -0.04 0.00 -1.55 0.00 0.00 0.00 176.54 175.83 2roq n PRO 327 N -2.89 0.11 0.00 4.80 -0.04 -1.26 -2.05 135.00 133.67 2roq n PRO 327 Ca -0.01 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2roq n PRO 327 Cb 0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2roq n PRO 327 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2roq n ILE 328 N -1.39 0.00 0.26 0.52 5.41 -1.25 -3.60 119.36 119.30 2roq n ILE 328 Ca 0.05 0.63 0.13 0.00 1.00 0.00 0.00 62.75 64.56 2roq n ILE 328 Cb 0.14 -1.48 0.65 0.00 -0.71 0.00 0.00 39.64 38.24 2roq n ILE 328 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 2roq h ILE 329 N 0.00 0.40 -0.39 1.39 3.07 -1.64 -3.04 117.51 117.30 2roq h ILE 329 Ca 0.00 -0.72 0.05 0.00 1.55 0.00 0.00 64.86 65.75 2roq h ILE 329 Cb 0.00 1.52 -0.05 0.00 -0.27 0.00 0.00 36.82 38.02 2roq h ILE 329 CO 0.00 0.12 0.11 -0.09 -1.05 0.00 0.00 178.15 177.24 2roq h ARG 330 N 0.00 0.24 0.00 0.16 2.43 -1.56 0.25 114.38 115.90 2roq h ARG 330 Ca -0.00 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2roq h ARG 330 Cb 0.51 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2roq h ARG 330 CO 0.02 0.16 -0.65 0.00 -1.51 0.00 0.00 179.97 177.99 2roq h ALA 331 N 1.28 0.88 -0.10 2.80 0.00 -1.59 -2.08 119.26 120.45 2roq h ALA 331 Ca 0.18 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2roq h ALA 331 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2roq h ALA 331 CO -0.22 0.81 -0.08 1.15 0.00 0.00 0.00 179.25 180.91 2roq h THR 332 N 0.00 1.35 0.00 0.00 2.02 -1.27 0.49 112.91 115.51 2roq h THR 332 Ca -0.01 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2roq h THR 332 Cb 1.18 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2roq h THR 332 CO 0.08 0.34 0.00 -0.07 0.37 0.00 0.00 175.52 176.25 2roq h LEU 333 N -0.18 0.00 0.00 2.58 3.38 -0.58 -0.68 115.31 119.83 2roq h LEU 333 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2roq h LEU 333 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2roq h LEU 333 CO 0.02 0.00 -1.02 0.78 0.09 0.00 0.00 178.44 178.32 2roq h ASN 334 N 0.00 0.00 0.31 -0.43 4.21 -1.27 -2.13 115.58 116.27 2roq h ASN 334 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 2roq h ASN 334 Cb 0.68 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.85 2roq h ASN 334 CO 0.00 0.05 -1.81 -2.11 -1.29 0.00 0.00 177.43 172.27 2roq n ARG 335 N -2.71 0.65 -0.06 0.81 -4.01 0.15 -2.19 116.66 109.30 2roq n ARG 335 Ca -0.01 0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.64 2roq n ARG 335 Cb 0.58 -1.64 -0.13 0.00 -3.04 0.00 0.00 32.46 28.22 2roq n ARG 335 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 2roq n LEU 336 N -2.60 2.19 -0.68 2.89 -0.00 -0.28 -4.35 117.00 114.17 2roq n LEU 336 Ca -0.12 0.07 0.10 0.00 -0.00 0.00 0.00 56.01 56.06 2roq n LEU 336 Cb 0.79 -0.66 0.06 0.00 -0.00 0.00 0.00 43.42 43.61 2roq n LEU 336 CO 0.44 0.78 0.47 -0.62 -0.00 0.00 0.00 177.39 178.46 2roq n GLU 337 N -3.24 1.68 0.00 1.47 -0.58 -0.80 -5.07 120.64 114.09 2roq n GLU 337 Ca -0.36 -1.43 0.00 0.00 -0.42 0.00 0.00 57.16 54.95 2roq n GLU 337 Cb 1.04 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 2roq n GLU 337 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2roq n HIS 338 N 0.74 -1.78 -2.86 -0.32 -0.00 -0.93 -4.64 115.22 105.43 2roq n HIS 338 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.41 2roq n HIS 338 Cb 0.46 0.24 -0.04 0.00 -0.00 0.00 0.00 29.99 30.65 2roq n HIS 338 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2roq s HIS 339 N 0.00 3.36 -0.29 1.57 3.76 -1.26 -4.52 115.29 117.91 2roq s HIS 339 Ca 0.00 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 2roq s HIS 339 Cb 0.00 -3.06 0.19 0.00 1.11 0.00 0.00 32.58 30.82 2roq s HIS 339 CO 0.00 -0.35 0.73 -1.58 -0.85 0.00 0.00 174.74 172.69 2roq s HIS 340 N 2.61 -1.43 -0.29 1.40 5.04 -1.26 -5.15 115.29 116.21 2roq s HIS 340 Ca 0.37 0.91 -0.22 0.00 -1.54 0.00 0.00 55.06 54.59 2roq s HIS 340 Cb -0.16 0.27 0.15 0.00 0.04 0.00 0.00 32.58 32.88 2roq s HIS 340 CO 0.09 -0.83 1.11 -3.38 -2.34 0.00 0.00 174.74 169.40 2roq s HIS 341 N 2.87 -0.39 0.17 3.88 -3.43 -1.26 -5.07 115.29 112.05 2roq s HIS 341 Ca 0.15 0.89 -0.30 0.00 -0.80 0.00 0.00 55.06 55.00 2roq s HIS 341 Cb -0.08 0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 31.35 2roq s HIS 341 CO -0.24 -0.19 1.11 -1.58 -2.00 0.00 0.00 174.74 171.84 2roq s HIS 342 N 0.54 3.57 0.00 0.38 2.46 -1.26 -5.25 115.29 115.73 2roq s HIS 342 Ca 0.00 1.57 0.00 0.00 0.47 0.00 0.00 55.06 57.10 2roq s HIS 342 Cb -0.04 -3.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 2roq s HIS 342 CO -0.11 -0.68 0.00 1.58 -2.47 0.00 0.00 174.74 173.06