#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 3.01 -4.58 -0.89 4.32 -1.26 -5.06 117.00 112.53 2roq n LEU 2 Ca 0.00 -5.30 -0.42 0.00 -0.02 0.00 0.00 56.01 50.27 2roq n LEU 2 Cb 0.00 -0.34 -0.03 0.00 -1.62 0.00 0.00 43.42 41.44 2roq n LEU 2 CO 0.00 2.11 1.50 -2.16 -1.22 0.00 0.00 177.39 177.62 2roq s PRO 3 N -2.33 3.16 -0.27 3.23 0.04 -1.26 -4.97 135.00 132.60 2roq s PRO 3 Ca 0.40 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2roq s PRO 3 Cb 0.18 -4.22 0.06 0.00 0.04 0.00 0.00 34.50 30.55 2roq s PRO 3 CO -0.05 -2.07 -0.07 -1.21 0.04 0.00 0.00 177.00 173.64 2roq s GLU 4 N 5.95 2.30 0.00 4.56 2.02 -1.26 -4.90 118.70 127.37 2roq s GLU 4 Ca 0.73 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2roq s GLU 4 Cb -0.18 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.07 2roq s GLU 4 CO 0.30 -0.59 0.00 -0.11 0.02 0.00 0.00 175.26 174.88 2roq n LEU 5 N 4.49 0.00 -2.28 1.80 -0.00 -1.26 -4.81 117.00 114.94 2roq n LEU 5 Ca -0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.85 2roq n LEU 5 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 2roq n LEU 5 CO 0.23 0.00 -0.50 0.29 -0.00 0.00 0.00 177.39 177.41 2roq n LYS 6 N 0.00 -4.13 -1.71 1.96 5.02 -1.26 -4.73 118.16 113.31 2roq n LYS 6 Ca 0.00 3.13 0.00 0.00 -2.02 0.00 0.00 58.31 59.42 2roq n LYS 6 Cb 0.00 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2roq n ALA 7 N 1.49 0.00 -2.68 7.82 0.00 -1.26 -4.84 120.51 121.03 2roq n ALA 7 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 2roq n ALA 7 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2roq n ALA 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2roq n GLN 8 N 0.00 -1.41 -2.65 0.00 6.02 -1.26 -5.02 117.38 113.05 2roq n GLN 8 Ca 0.00 1.51 -0.03 0.00 -0.01 0.00 0.00 57.00 58.47 2roq n GLN 8 Cb 0.00 -4.89 0.10 0.00 1.02 0.00 0.00 30.24 26.46 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2roq n ALA 9 N -1.09 -3.66 0.60 -1.58 0.00 -1.26 -5.01 120.51 108.52 2roq n ALA 9 Ca 0.04 -0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2roq n ALA 9 Cb 0.45 -3.42 0.34 0.00 0.00 0.00 0.00 19.45 16.81 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 1.06 0.12 0.00 0.00 -0.04 -1.26 -4.70 135.00 130.18 2roq n PRO 10 Ca -0.03 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2roq n PRO 10 Cb 0.74 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2roq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2roq n GLY 11 N -0.04 -1.79 3.73 0.55 0.00 -1.26 -2.69 105.19 103.70 2roq n GLY 11 Ca 0.05 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.03 1.63 -0.59 1.61 1.04 -1.26 0.78 118.95 122.13 2roq s ARG 12 Ca 0.00 0.97 -0.02 0.00 -1.04 0.00 0.00 55.73 55.65 2roq s ARG 12 Cb 0.00 -1.84 -0.02 0.00 -2.04 0.00 0.00 34.95 31.05 2roq s ARG 12 CO 0.00 -2.03 0.54 0.00 -0.04 0.00 0.00 175.30 173.77 2roq n ALA 13 N -3.76 -2.02 -1.00 7.88 0.00 -1.26 -4.70 120.51 115.65 2roq n ALA 13 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2roq n ALA 13 Cb 0.54 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2roq n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2roq n PRO 14 N -2.03 -0.41 -3.21 0.00 -0.04 -1.26 -4.59 135.00 123.46 2roq n PRO 14 Ca -0.02 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 2roq n PRO 14 Cb 0.54 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.05 -5.44 -0.01 0.54 4.81 -1.26 -4.90 118.16 110.85 2roq n LYS 15 Ca 0.00 0.60 0.14 0.00 -0.87 0.00 0.00 58.31 58.18 2roq n LYS 15 Cb 0.00 -4.93 0.71 0.00 0.02 0.00 0.00 35.03 30.83 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 -3.98 2.63 0.00 3.14 0.00 -1.26 -4.89 120.51 116.15 2roq n ALA 16 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2roq n ALA 16 Cb 0.57 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.01 2.86 0.12 0.00 0.00 -1.26 -4.39 105.19 103.53 2roq n GLY 17 Ca 0.20 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 0.27 1.23 1.61 0.02 -1.91 -3.35 113.55 111.43 2roq h SER 18 Ca 0.00 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2roq h SER 18 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2roq h SER 18 CO 0.00 1.59 0.00 1.05 -1.14 0.00 0.00 176.83 178.33 2roq h GLU 19 N -0.46 0.00 -0.73 3.45 -0.00 -1.88 -3.26 114.58 111.71 2roq h GLU 19 Ca -0.32 0.00 0.14 0.00 -0.00 0.00 0.00 59.36 59.18 2roq h GLU 19 Cb 1.65 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 30.30 2roq h GLU 19 CO -0.01 0.00 0.25 1.15 -0.00 0.00 0.00 179.01 180.40 2roq h THR 20 N 0.00 0.63 -0.19 -1.06 2.02 -1.91 0.91 112.91 113.32 2roq h THR 20 Ca 0.00 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 2roq h THR 20 Cb 0.62 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2roq h THR 20 CO 0.00 0.07 -0.32 0.16 0.37 0.00 0.00 175.52 175.80 2roq h ILE 21 N 0.38 1.28 0.48 3.11 3.07 -1.78 -1.93 117.51 122.13 2roq h ILE 21 Ca 0.40 -1.36 -0.02 0.00 1.55 0.00 0.00 64.86 65.43 2roq h ILE 21 Cb 0.62 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2roq h ILE 21 CO -0.42 0.42 -0.23 0.40 -1.05 0.00 0.00 178.15 177.26 2roq h ILE 22 N 0.33 0.49 -0.37 0.16 1.08 -1.04 0.84 117.51 119.00 2roq h ILE 22 Ca 0.04 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2roq h ILE 22 Cb 0.73 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2roq h ILE 22 CO 0.06 0.04 0.23 0.00 -0.69 0.00 0.00 178.15 177.79 2roq h ALA 23 N -0.36 0.47 -0.49 1.87 0.00 -1.23 0.13 119.26 119.64 2roq h ALA 23 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2roq h ALA 23 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2roq h ALA 23 CO 0.11 -0.06 0.24 0.00 0.00 0.00 0.00 179.25 179.55 2roq h ALA 24 N 1.12 1.50 -0.07 0.00 0.00 -1.33 -2.19 119.26 118.28 2roq h ALA 24 Ca 0.13 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 24 Cb -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.57 2roq h ALA 24 CO -0.03 0.40 -0.59 0.00 0.00 0.00 0.00 179.25 179.03 2roq h ALA 25 N 1.58 0.17 0.15 0.00 0.00 -0.31 -1.39 119.26 119.46 2roq h ALA 25 Ca 0.17 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2roq h ALA 25 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2roq h ALA 25 CO -0.02 0.42 -0.26 0.74 0.00 0.00 0.00 179.25 180.12 2roq h PHE 26 N 0.12 -0.71 0.00 0.00 -1.00 -0.47 -1.86 116.94 113.02 2roq h PHE 26 Ca -0.05 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 2roq h PHE 26 Cb 1.26 0.29 -0.01 0.00 3.61 0.00 0.00 35.95 41.10 2roq h PHE 26 CO 0.12 -0.37 -0.32 0.66 -1.61 0.00 0.00 178.31 176.79 2roq h SER 27 N -0.49 0.00 -0.63 2.17 4.64 -1.51 0.34 113.55 118.07 2roq h SER 27 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2roq h SER 27 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2roq h SER 27 CO -0.13 0.32 0.33 -1.28 -0.87 0.00 0.00 176.83 175.20 2roq h SER 28 N 0.00 0.82 0.01 4.97 0.87 -0.48 0.46 113.55 120.21 2roq h SER 28 Ca -0.00 -0.08 -0.37 0.00 -1.23 0.00 0.00 61.79 60.11 2roq h SER 28 Cb 0.75 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 62.44 2roq h SER 28 CO 0.04 0.69 -2.39 0.18 -0.53 0.00 0.00 176.83 174.81 2roq n LEU 29 N -4.36 0.63 0.22 2.23 4.77 -0.81 -4.30 117.00 115.39 2roq n LEU 29 Ca 0.06 -0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 2roq n LEU 29 Cb 0.12 0.20 0.40 0.00 -2.33 0.00 0.00 43.42 41.80 2roq n LEU 29 CO 0.38 0.59 0.79 -0.07 -1.33 0.00 0.00 177.39 177.75 2roq h LEU 30 N 0.00 0.00 -0.59 2.23 3.38 -0.29 -3.47 115.31 116.57 2roq h LEU 30 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2roq h LEU 30 Cb 2.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.92 2roq h LEU 30 CO 0.01 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2roq n GLY 31 N 0.43 0.86 1.69 0.83 0.00 0.12 -4.87 105.19 104.25 2roq n GLY 31 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.29 0.00 -4.82 0.00 8.00 -1.26 -5.03 116.55 114.73 2roq n ASP 33 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2roq n ASP 33 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2roq n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2roq s VAL 34 N 0.00 4.53 0.00 2.53 1.01 -1.26 -4.95 120.40 122.26 2roq s VAL 34 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2roq s VAL 34 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2roq s VAL 34 CO 0.00 0.04 0.68 1.67 0.00 0.00 0.00 175.10 177.49 2roq n GLN 35 N 0.26 0.00 -3.63 2.72 7.27 -1.26 -4.84 117.38 117.91 2roq n GLN 35 Ca 0.01 -0.55 -0.16 0.00 0.07 0.00 0.00 57.00 56.37 2roq n GLN 35 Cb 0.52 0.34 -0.05 0.00 2.41 0.00 0.00 30.24 33.45 2roq n GLN 35 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2roq n ASP 36 N 0.00 0.34 0.00 1.69 9.92 -1.26 -4.74 116.55 122.50 2roq n ASP 36 Ca -0.15 -2.53 0.00 0.00 -0.53 0.00 0.00 54.79 51.58 2roq n ASP 36 Cb 0.55 0.94 0.00 0.00 -0.64 0.00 0.00 41.12 41.97 2roq n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2roq n ALA 37 N -1.52 2.00 -1.62 2.24 0.00 0.23 -4.67 120.51 117.17 2roq n ALA 37 Ca -0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2roq n ALA 37 Cb 0.43 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.69 3.49 -4.91 0.00 -0.08 -1.09 -0.39 116.55 112.86 2roq n ASP 38 Ca 0.00 -3.80 -0.27 0.00 -1.51 0.00 0.00 54.79 49.21 2roq n ASP 38 Cb 0.00 -0.58 -0.01 0.00 2.34 0.00 0.00 41.12 42.88 2roq n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2roq s ALA 39 N -3.40 3.50 -0.18 -1.67 0.00 -1.26 -4.89 121.76 113.86 2roq s ALA 39 Ca 0.47 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 2roq s ALA 39 Cb 0.41 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2roq s ALA 39 CO -0.00 -0.16 -0.07 0.34 0.00 0.00 0.00 175.76 175.87 2roq s ASP 40 N -3.88 4.29 0.48 0.00 -1.08 -1.26 -3.28 116.67 111.93 2roq s ASP 40 Ca 0.45 -0.33 0.30 0.00 -0.52 0.00 0.00 52.55 52.46 2roq s ASP 40 Cb -0.10 -1.70 1.39 0.00 -1.46 0.00 0.00 42.92 41.05 2roq s ASP 40 CO 0.39 0.07 1.75 0.15 0.52 0.00 0.00 175.17 178.06 2roq h PHE 41 N 7.43 0.30 0.06 -5.34 3.04 -1.90 0.20 116.94 120.72 2roq h PHE 41 Ca -0.35 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.61 2roq h PHE 41 Cb 1.18 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.61 2roq h PHE 41 CO 0.55 -0.01 -0.03 0.74 -2.02 0.00 0.00 178.31 177.55 2roq h PHE 42 N 0.15 -0.07 0.00 0.41 0.04 -1.94 0.13 116.94 115.65 2roq h PHE 42 Ca 0.63 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.40 2roq h PHE 42 Cb 2.14 0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.32 2roq h PHE 42 CO -0.00 -0.04 0.03 0.00 -0.60 0.00 0.00 178.31 177.70 2roq h ALA 43 N -1.96 1.03 0.00 2.45 0.00 -1.77 0.17 119.26 119.18 2roq h ALA 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2roq h ALA 43 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2roq h ALA 43 CO 0.01 -0.03 -0.05 -0.07 0.00 0.00 0.00 179.25 179.12 2roq h LEU 44 N 0.00 0.00 -1.55 0.00 3.38 -0.50 -3.48 115.31 113.15 2roq h LEU 44 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2roq h LEU 44 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2roq h LEU 44 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2roq n GLY 45 N 1.19 0.51 2.60 0.83 0.00 0.58 -5.01 105.19 105.89 2roq n GLY 45 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.68 0.37 -0.05 -0.02 0.00 0.36 -4.91 107.32 100.39 2roq s GLY 46 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.40 2roq s GLY 46 CO 0.00 2.28 0.55 -2.38 0.00 0.00 0.00 173.10 173.56 2roq s HIS 47 N 1.86 -0.50 0.00 1.90 -3.43 -1.26 -4.18 115.29 109.68 2roq s HIS 47 Ca 0.12 0.87 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 2roq s HIS 47 Cb -0.17 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2roq s HIS 47 CO -0.24 -0.52 0.00 0.00 -2.00 0.00 0.00 174.74 171.98 2roq n ALA 48 N 1.12 0.00 -0.03 -1.38 0.00 -1.26 -3.72 120.51 115.24 2roq n ALA 48 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 2roq n ALA 48 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 2roq n ALA 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2roq h LEU 49 N 0.00 0.00 -0.65 0.00 3.38 -1.95 -3.13 115.31 112.96 2roq h LEU 49 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2roq h LEU 49 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 2roq h LEU 49 CO 0.00 0.29 0.19 -0.07 0.09 0.00 0.00 178.44 178.94 2roq h LEU 50 N -0.40 0.10 -1.34 1.67 -0.00 -1.91 0.14 115.31 113.58 2roq h LEU 50 Ca 0.00 0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.93 2roq h LEU 50 Cb 0.19 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2roq h LEU 50 CO 0.00 0.05 -0.20 0.00 -0.00 0.00 0.00 178.44 178.29 2roq h ALA 51 N 1.50 1.45 0.12 1.53 0.00 -1.75 -1.70 119.26 120.40 2roq h ALA 51 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2roq h ALA 51 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2roq h ALA 51 CO -0.40 0.39 -0.06 1.98 0.00 0.00 0.00 179.25 181.16 2roq h MET 52 N 0.19 -0.15 -0.38 0.00 1.85 -0.76 0.36 114.93 116.04 2roq h MET 52 Ca 0.03 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 2roq h MET 52 Cb 0.46 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 2roq h MET 52 CO 0.03 0.26 0.21 0.87 -0.40 0.00 0.00 176.91 177.88 2roq h LYS 53 N -0.63 0.51 -0.03 0.39 1.57 -0.96 -2.28 116.57 115.15 2roq h LYS 53 Ca -0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2roq h LYS 53 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2roq h LYS 53 CO 0.03 0.38 -0.17 1.25 -0.57 0.00 0.00 179.45 180.37 2roq h LEU 54 N 0.52 0.19 -0.86 2.94 6.46 -1.28 -2.16 115.31 121.13 2roq h LEU 54 Ca 0.14 -0.68 0.15 0.00 -0.12 0.00 0.00 57.88 57.36 2roq h LEU 54 Cb 0.02 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.80 2roq h LEU 54 CO -0.02 0.84 0.46 0.00 -0.62 0.00 0.00 178.44 179.10 2roq h ALA 55 N 0.36 1.31 -0.14 1.25 0.00 -0.65 0.13 119.26 121.52 2roq h ALA 55 Ca -0.01 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2roq h ALA 55 Cb 0.84 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2roq h ALA 55 CO 0.03 -0.07 -0.68 0.00 0.00 0.00 0.00 179.25 178.54 2roq h ALA 56 N 1.56 0.55 -0.30 0.00 0.00 -1.46 -2.17 119.26 117.44 2roq h ALA 56 Ca 0.47 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2roq h ALA 56 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 56 CO -0.36 0.72 0.08 0.37 0.00 0.00 0.00 179.25 180.06 2roq h GLN 57 N 0.41 0.47 -0.42 0.00 4.15 -0.45 -2.31 115.11 116.96 2roq h GLN 57 Ca -0.02 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 2roq h GLN 57 Cb 1.26 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2roq h GLN 57 CO 0.13 0.53 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.49 2roq h LEU 58 N 0.32 0.73 -2.02 -2.39 3.38 -0.84 0.13 115.31 114.63 2roq h LEU 58 Ca 0.09 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2roq h LEU 58 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2roq h LEU 58 CO -0.00 0.87 0.10 0.77 0.09 0.00 0.00 178.44 180.26 2roq h SER 59 N 0.58 0.00 0.23 -0.43 4.64 -1.30 0.40 113.55 117.68 2roq h SER 59 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2roq h SER 59 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2roq h SER 59 CO 0.02 0.00 -0.99 0.54 -0.87 0.00 0.00 176.83 175.53 2roq n ARG 60 N -4.47 0.14 0.02 4.77 5.12 -0.88 -1.96 116.66 119.41 2roq n ARG 60 Ca 0.00 -0.02 0.11 0.00 -1.93 0.00 0.00 57.85 56.02 2roq n ARG 60 Cb 0.22 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 29.92 2roq n ARG 60 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2roq n GLN 61 N -1.70 0.45 0.00 5.56 1.13 0.44 -4.21 117.38 119.05 2roq n GLN 61 Ca 0.03 -0.06 0.03 0.00 -1.94 0.00 0.00 57.00 55.06 2roq n GLN 61 Cb 0.38 -1.59 0.01 0.00 0.11 0.00 0.00 30.24 29.15 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 -2.14 0.00 -1.74 5.09 0.24 0.12 -4.98 118.33 114.92 2roq n VAL 62 Ca -0.00 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.34 61.66 2roq n VAL 62 Cb 0.49 1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.05 -0.32 -4.63 2.33 0.00 -1.11 -4.97 120.51 111.85 2roq n ALA 63 Ca 0.03 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 2roq n ALA 63 Cb 0.13 -1.72 -0.06 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 -2.53 0.79 -3.67 0.00 3.00 -0.83 -5.02 116.66 108.40 2roq n ARG 64 Ca -0.17 -3.40 -0.38 0.00 -0.00 0.00 0.00 57.85 53.90 2roq n ARG 64 Cb 0.56 1.13 -0.09 0.00 0.00 0.00 0.00 32.46 34.06 2roq n ARG 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2roq s GLN 65 N -3.65 2.48 -0.14 -0.14 0.74 -1.26 -4.38 119.66 113.31 2roq s GLN 65 Ca 0.05 -2.20 -0.02 0.00 0.05 0.00 0.00 55.36 53.25 2roq s GLN 65 Cb 0.00 -3.78 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 2roq s GLN 65 CO 0.03 -1.16 -0.09 0.54 -0.55 0.00 0.00 175.29 174.06 2roq s VAL 66 N 0.53 3.41 0.00 1.34 0.11 -1.26 -4.84 120.40 119.69 2roq s VAL 66 Ca 0.13 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2roq s VAL 66 Cb -0.21 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2roq s VAL 66 CO -0.04 0.51 0.00 0.35 -3.33 0.00 0.00 175.10 172.60 2roq n THR 67 N 3.47 0.00 -2.04 5.04 -2.24 -1.26 -4.49 114.28 112.76 2roq n THR 67 Ca -0.18 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 2roq n THR 67 Cb 0.53 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2roq n THR 67 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2roq s PRO 68 N 0.00 2.67 -1.69 -0.78 0.04 -1.26 -3.35 135.00 130.63 2roq s PRO 68 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2roq s PRO 68 Cb 0.00 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2roq s PRO 68 CO 0.00 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.78 2roq n GLY 69 N 5.68 1.08 0.17 0.56 0.00 -1.26 -4.29 105.19 107.13 2roq n GLY 69 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.31 2.09 0.00 1.61 6.02 -1.21 -4.13 117.38 119.45 2roq n GLN 70 Ca -0.18 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2roq n GLN 70 Cb 0.57 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.93 0.00 -3.73 5.09 0.31 -1.26 -4.55 118.33 113.25 2roq n VAL 71 Ca 0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.07 2roq n VAL 71 Cb 0.53 -0.16 -0.12 0.00 -0.91 0.00 0.00 33.84 33.18 2roq n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2roq s MET 72 N -1.66 3.61 0.00 5.55 0.23 -1.26 -4.34 119.30 121.43 2roq s MET 72 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.15 2roq s MET 72 Cb 0.00 -3.37 0.00 0.00 -1.53 0.00 0.00 34.83 29.93 2roq s MET 72 CO 0.00 -0.22 0.00 1.33 -2.03 0.00 0.00 175.02 174.10 2roq n VAL 73 N 4.94 0.00 0.17 5.16 0.24 -1.26 -4.48 118.33 123.09 2roq n VAL 73 Ca -0.16 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 2roq n VAL 73 Cb 0.51 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.55 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2roq h ALA 74 N 0.00 -0.41 0.00 2.33 0.00 -1.76 -3.46 119.26 115.96 2roq h ALA 74 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2roq h ALA 74 Cb 0.21 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2roq h ALA 74 CO 0.00 -0.64 0.00 0.43 0.00 0.00 0.00 179.25 179.04 2roq n SER 75 N -5.19 0.00 -2.23 0.00 7.64 -1.26 -5.01 113.62 107.57 2roq n SER 75 Ca -0.10 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.77 2roq n SER 75 Cb 0.23 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 2roq n SER 75 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2roq n THR 76 N 0.00 0.00 0.15 0.44 5.66 -1.26 -4.89 114.28 114.38 2roq n THR 76 Ca 0.00 -0.22 -0.10 0.00 -3.05 0.00 0.00 64.05 60.68 2roq n THR 76 Cb 0.00 0.36 -0.05 0.00 -1.55 0.00 0.00 70.33 69.08 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 1.49 0.00 -0.60 1.08 2.07 -1.50 0.46 116.25 119.25 2roq h VAL 77 Ca -0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.52 2roq h VAL 77 Cb 0.59 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.25 2roq h VAL 77 CO 0.17 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.66 2roq h ALA 78 N -1.27 0.46 -0.97 1.67 0.00 -1.02 0.69 119.26 118.82 2roq h ALA 78 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2roq h ALA 78 Cb 0.47 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2roq h ALA 78 CO -0.05 -0.42 0.61 0.87 0.00 0.00 0.00 179.25 180.27 2roq h LYS 79 N 0.03 1.29 -0.82 0.00 1.79 -1.75 -2.22 116.57 114.89 2roq h LYS 79 Ca 0.30 -0.10 0.15 0.00 -2.18 0.00 0.00 60.65 58.82 2roq h LYS 79 Cb 0.46 -0.28 -0.10 0.00 -1.58 0.00 0.00 32.23 30.73 2roq h LYS 79 CO -0.58 0.88 0.38 1.25 -1.08 0.00 0.00 179.45 180.29 2roq h LEU 80 N 1.32 0.41 -0.48 2.94 7.12 0.23 0.46 115.31 127.32 2roq h LEU 80 Ca 0.35 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.43 2roq h LEU 80 Cb -0.11 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.07 2roq h LEU 80 CO -0.07 0.15 -0.15 0.00 -0.13 0.00 0.00 178.44 178.23 2roq h ALA 81 N 1.57 0.93 0.00 1.25 0.00 -1.09 -2.29 119.26 119.63 2roq h ALA 81 Ca 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2roq h ALA 81 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2roq h ALA 81 CO -0.40 0.19 -0.51 1.15 0.00 0.00 0.00 179.25 179.68 2roq h THR 82 N 0.00 0.00 0.00 0.00 2.02 0.10 -2.20 112.91 112.83 2roq h THR 82 Ca -0.00 -0.64 -0.26 0.00 0.77 0.00 0.00 66.41 66.28 2roq h THR 82 Cb 0.95 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 2roq h THR 82 CO 0.02 0.00 -2.04 2.30 0.37 0.00 0.00 175.52 176.17 2roq n ILE 83 N -2.35 1.17 -0.02 3.11 -5.35 0.12 -2.98 119.36 113.07 2roq n ILE 83 Ca 0.03 -0.76 -0.12 0.00 -0.27 0.00 0.00 62.75 61.63 2roq n ILE 83 Cb 0.47 -0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 37.70 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 -2.74 1.65 0.03 7.28 -5.35 -0.87 -1.20 119.36 118.15 2roq n ILE 84 Ca -0.22 -0.76 -0.10 0.00 -0.27 0.00 0.00 62.75 61.40 2roq n ILE 84 Cb 0.99 -1.20 -0.13 0.00 -1.74 0.00 0.00 39.64 37.55 2roq n ILE 84 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2roq h ASP 85 N 0.02 0.11 0.00 7.28 1.82 -1.60 -3.41 116.42 120.64 2roq h ASP 85 Ca -0.33 -0.16 -0.41 0.00 -0.39 0.00 0.00 57.03 55.75 2roq h ASP 85 Cb 2.02 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 41.94 2roq h ASP 85 CO 0.08 1.13 -2.35 0.00 -1.61 0.00 0.00 179.24 176.49 2roq n ALA 86 N -2.52 1.26 -3.33 -0.78 0.00 -1.16 -5.05 120.51 108.93 2roq n ALA 86 Ca -0.11 -1.03 -0.17 0.00 0.00 0.00 0.00 53.44 52.12 2roq n ALA 86 Cb 1.01 0.15 0.07 0.00 0.00 0.00 0.00 19.45 20.68 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 -4.21 -2.51 -0.04 0.00 2.13 -0.34 -4.95 120.64 110.72 2roq n GLU 87 Ca -0.49 0.81 -0.04 0.00 0.66 0.00 0.00 57.16 58.10 2roq n GLU 87 Cb 0.84 -5.60 -0.07 0.00 0.27 0.00 0.00 31.44 26.88 2roq n GLU 87 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2roq n GLU 88 N -3.45 2.46 -3.65 5.31 1.02 -1.26 -5.07 120.64 115.99 2roq n GLU 88 Ca -0.09 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 2roq n GLU 88 Cb 0.62 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 2roq n GLU 88 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2roq n ASP 89 N -2.30 -1.10 -3.01 1.62 2.03 -1.26 -4.98 116.55 107.55 2roq n ASP 89 Ca -0.14 -2.64 -0.13 0.00 0.52 0.00 0.00 54.79 52.40 2roq n ASP 89 Cb 0.76 2.09 0.07 0.00 -0.72 0.00 0.00 41.12 43.32 2roq n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2roq n SER 90 N -1.72 -4.35 -0.10 1.67 2.88 -1.26 -4.91 113.62 105.83 2roq n SER 90 Ca 0.01 -0.57 -0.11 0.00 -1.33 0.00 0.00 58.87 56.88 2roq n SER 90 Cb 0.50 -4.45 -0.16 0.00 -0.75 0.00 0.00 64.21 59.36 2roq n SER 90 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2roq n THR 91 N -3.24 1.41 -1.92 2.46 -1.04 -1.26 -4.13 114.28 106.56 2roq n THR 91 Ca -0.13 -0.83 -0.04 0.00 -2.04 0.00 0.00 64.05 61.01 2roq n THR 91 Cb 0.62 -0.59 0.12 0.00 -1.82 0.00 0.00 70.33 68.66 2roq n THR 91 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2roq n ARG 92 N -2.82 2.05 0.26 -2.82 1.74 -1.26 -4.15 116.66 109.66 2roq n ARG 92 Ca -0.34 -3.45 0.11 0.00 -0.77 0.00 0.00 57.85 53.41 2roq n ARG 92 Cb 1.14 -1.64 0.70 0.00 -1.02 0.00 0.00 32.46 31.63 2roq n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2roq h ARG 93 N 1.48 0.00 -5.91 5.56 2.47 -1.79 -3.34 114.38 112.84 2roq h ARG 93 Ca 0.08 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.15 2roq h ARG 93 Cb 1.29 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.59 2roq h ARG 93 CO 0.26 0.13 1.45 0.00 0.56 0.00 0.00 179.97 182.37 2roq n MET 94 N -3.79 1.01 -2.07 0.04 0.00 -1.26 -0.53 117.12 110.52 2roq n MET 94 Ca -0.02 0.26 -0.14 0.00 0.00 0.00 0.00 57.70 57.80 2roq n MET 94 Cb 0.23 -2.47 -0.03 0.00 0.00 0.00 0.00 33.22 30.95 2roq n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2roq n GLY 95 N 6.52 0.14 0.35 3.17 0.00 -1.26 -4.82 105.19 109.29 2roq n GLY 95 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 2roq n GLY 95 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2roq h PHE 96 N 0.00 1.13 -2.82 1.61 3.57 -0.94 -3.42 116.94 116.07 2roq h PHE 96 Ca -0.31 -0.03 -0.65 0.00 3.53 0.00 0.00 57.97 60.51 2roq h PHE 96 Cb 1.12 -0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 2roq h PHE 96 CO 0.57 0.79 -0.44 -1.21 -2.23 0.00 0.00 178.31 175.79 2roq s GLU 97 N -5.73 3.66 0.47 1.11 2.02 -1.26 -4.98 118.70 113.99 2roq s GLU 97 Ca -0.12 -0.08 0.24 0.00 0.02 0.00 0.00 54.97 55.03 2roq s GLU 97 Cb 0.17 -3.24 1.27 0.00 0.10 0.00 0.00 34.13 32.42 2roq s GLU 97 CO 0.82 0.66 1.87 1.79 0.02 0.00 0.00 175.26 180.42 2roq h THR 98 N 4.10 0.61 -2.05 3.63 1.35 -1.96 -3.41 112.91 115.18 2roq h THR 98 Ca -0.52 -0.07 -0.57 0.00 -0.55 0.00 0.00 66.41 64.70 2roq h THR 98 Cb 1.21 0.38 -0.10 0.00 -1.73 0.00 0.00 68.15 67.90 2roq h THR 98 CO 0.62 0.04 -0.64 -0.63 -0.25 0.00 0.00 175.52 174.67 2roq s ILE 99 N -5.23 2.94 -0.29 6.82 -1.09 -1.26 -4.24 121.20 118.85 2roq s ILE 99 Ca -0.07 -1.98 -0.01 0.00 -2.23 0.00 0.00 60.65 56.37 2roq s ILE 99 Cb 0.22 -2.77 0.09 0.00 -1.58 0.00 0.00 42.46 38.43 2roq s ILE 99 CO 0.78 -0.28 0.08 -0.22 -1.23 0.00 0.00 174.94 174.06 2roq s LEU 100 N -3.69 2.10 -0.53 2.97 0.20 -1.22 -4.94 118.68 113.57 2roq s LEU 100 Ca 0.33 -1.50 -0.27 0.00 0.69 0.00 0.00 54.13 53.38 2roq s LEU 100 Cb -0.03 -0.84 -0.02 0.00 -0.43 0.00 0.00 46.19 44.87 2roq s LEU 100 CO 0.19 -0.39 1.82 -2.16 -0.29 0.00 0.00 176.35 175.52 2roq s PRO 101 N 1.64 2.87 0.21 0.98 0.04 -1.26 -3.33 135.00 136.15 2roq s PRO 101 Ca 0.07 0.84 0.25 0.00 0.04 0.00 0.00 61.00 62.20 2roq s PRO 101 Cb -0.17 -4.32 0.53 0.00 0.04 0.00 0.00 34.50 30.58 2roq s PRO 101 CO -0.22 -2.44 1.54 -0.07 0.04 0.00 0.00 177.00 175.86 2roq h LEU 102 N 15.47 0.00 -6.00 -3.56 3.38 -1.92 -3.44 115.31 119.23 2roq h LEU 102 Ca -0.28 -0.08 0.25 0.00 0.09 0.00 0.00 57.88 57.86 2roq h LEU 102 Cb 1.16 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.71 2roq h LEU 102 CO 1.16 0.04 0.13 -0.13 0.09 0.00 0.00 178.44 179.73 2roq s ARG 103 N -3.16 0.13 -0.24 1.13 1.81 -0.90 -4.95 118.95 112.77 2roq s ARG 103 Ca 0.08 0.19 -0.04 0.00 -1.72 0.00 0.00 55.73 54.24 2roq s ARG 103 Cb 0.12 0.10 0.09 0.00 -0.45 0.00 0.00 34.95 34.81 2roq s ARG 103 CO 0.66 -0.17 0.15 -1.21 -0.68 0.00 0.00 175.30 174.06 2roq s GLU 104 N 2.97 0.17 0.00 3.54 2.02 -1.26 -0.07 118.70 126.06 2roq s GLU 104 Ca 0.06 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2roq s GLU 104 Cb -0.07 -1.29 0.00 0.00 0.10 0.00 0.00 34.13 32.87 2roq s GLU 104 CO -0.14 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.68 2roq n GLY 105 N 5.28 0.22 0.00 -1.39 0.00 -1.26 -5.03 105.19 103.01 2roq n GLY 105 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.14 0.00 0.00 1.61 3.02 -1.26 -5.04 115.26 112.45 2roq n ASN 106 Ca 0.00 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 2roq n ASN 106 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roq n GLY 107 N -0.69 -2.31 3.58 7.41 0.00 -1.26 -5.00 105.19 106.91 2roq n GLY 107 Ca 0.00 0.81 -0.41 0.00 0.00 0.00 0.00 46.02 46.42 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 3.03 -0.12 1.61 0.04 -1.26 -4.72 135.00 133.57 2roq s PRO 108 Ca 0.00 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 2roq s PRO 108 Cb 0.00 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 2roq s PRO 108 CO 0.00 -2.24 0.71 -0.08 0.04 0.00 0.00 177.00 175.43 2roq s THR 109 N 7.75 5.00 0.45 1.26 -1.32 -1.26 -2.00 115.64 125.52 2roq s THR 109 Ca 0.71 1.42 -0.22 0.00 -1.21 0.00 0.00 61.69 62.39 2roq s THR 109 Cb -0.17 -4.04 -0.08 0.00 -1.51 0.00 0.00 72.50 66.71 2roq s THR 109 CO 0.27 0.16 1.09 -0.76 -2.21 0.00 0.00 174.62 173.17 2roq s LEU 110 N 1.40 3.99 -0.63 9.08 1.43 0.11 -4.88 118.68 129.17 2roq s LEU 110 Ca 0.35 2.10 -0.20 0.00 -1.03 0.00 0.00 54.13 55.35 2roq s LEU 110 Cb -0.17 -4.34 0.09 0.00 0.03 0.00 0.00 46.19 41.80 2roq s LEU 110 CO 0.15 -0.76 0.82 -0.36 0.23 0.00 0.00 176.35 176.42 2roq s PHE 111 N -1.72 2.88 -0.51 0.29 0.08 -1.21 -2.99 117.98 114.80 2roq s PHE 111 Ca 0.63 -0.82 -0.20 0.00 0.12 0.00 0.00 56.93 56.67 2roq s PHE 111 Cb -0.23 -4.13 0.06 0.00 -0.57 0.00 0.00 43.02 38.15 2roq s PHE 111 CO 0.28 -1.44 0.65 0.00 -0.10 0.00 0.00 175.22 174.60 2roq s PHE 113 N 2.74 1.90 -0.17 0.00 5.36 -1.22 -3.40 117.98 123.20 2roq s PHE 113 Ca 0.17 -0.98 -0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2roq s PHE 113 Cb -0.18 -1.22 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 2roq s PHE 113 CO 0.13 -0.03 0.15 0.72 -1.46 0.00 0.00 175.22 174.73 2roq n HIS 114 N -0.65 -0.55 -0.32 10.12 8.25 -1.26 -4.19 115.22 126.62 2roq n HIS 114 Ca -0.02 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2roq n HIS 114 Cb 0.66 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 29.46 2roq n HIS 114 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2roq n PRO 115 N -1.41 -0.31 -0.61 -0.41 -0.04 -1.26 -2.88 135.00 128.08 2roq n PRO 115 Ca -0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2roq n PRO 115 Cb 0.51 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.17 2roq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2roq n ALA 116 N -3.00 3.73 -1.56 0.55 0.00 -1.26 -4.41 120.51 114.55 2roq n ALA 116 Ca 0.00 -3.11 -0.17 0.00 0.00 0.00 0.00 53.44 50.16 2roq n ALA 116 Cb 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 2roq n ALA 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2roq n SER 117 N -1.12 -5.06 0.00 0.00 7.64 -1.26 -4.55 113.62 109.28 2roq n SER 117 Ca 0.24 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2roq n SER 117 Cb 0.83 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 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 -0.89 2.26 0.00 0.23 0.00 -1.26 -4.29 105.19 101.24 2roq n GLY 118 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2roq n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2roq n PHE 119 N 0.00 -1.67 -1.57 1.61 3.72 -1.26 -4.28 117.46 114.02 2roq n PHE 119 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2roq n PHE 119 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2roq n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2roq n ALA 120 N -3.00 1.41 -1.78 4.37 0.00 -1.26 -4.51 120.51 115.75 2roq n ALA 120 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2roq n ALA 120 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2roq n ALA 120 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2roq n TRP 121 N 0.00 -2.33 -2.15 0.00 8.01 -1.26 -4.46 117.44 115.25 2roq n TRP 121 Ca 0.00 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.04 2roq n TRP 121 Cb 0.56 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.84 2roq n TRP 121 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 2roq n GLN 122 N -0.66 -1.87 0.02 -0.99 7.27 -1.26 -4.80 117.38 115.08 2roq n GLN 122 Ca 0.00 0.75 0.11 0.00 0.07 0.00 0.00 57.00 57.93 2roq n GLN 122 Cb 0.00 -5.27 -0.06 0.00 2.41 0.00 0.00 30.24 27.32 2roq n GLN 122 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2roq n PHE 123 N -3.10 0.19 -0.08 3.69 -0.00 -1.26 -4.23 117.46 112.66 2roq n PHE 123 Ca -0.16 0.05 0.25 0.00 -0.00 0.00 0.00 57.45 57.59 2roq n PHE 123 Cb 0.59 -0.40 0.72 0.00 -0.00 0.00 0.00 39.48 40.38 2roq n PHE 123 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2roq h SER 124 N 0.00 0.00 -0.97 -2.13 0.02 -1.92 0.78 113.55 109.33 2roq h SER 124 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2roq h SER 124 Cb 0.78 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.24 2roq h SER 124 CO 0.00 0.00 0.61 1.62 -1.14 0.00 0.00 176.83 177.92 2roq h VAL 125 N 0.00 0.99 0.09 2.27 3.04 -1.97 -2.02 116.25 118.65 2roq h VAL 125 Ca 0.34 -0.36 -0.28 0.00 -1.01 0.00 0.00 66.70 65.40 2roq h VAL 125 Cb 1.49 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 2roq h VAL 125 CO -0.00 0.19 -1.39 0.25 -1.01 0.00 0.00 177.57 175.60 2roq h LEU 126 N 1.04 0.30 -2.10 3.16 5.85 -1.16 -2.30 115.31 120.09 2roq h LEU 126 Ca 0.45 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2roq h LEU 126 Cb 0.32 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2roq h LEU 126 CO -0.22 1.31 0.19 -1.28 -0.34 0.00 0.00 178.44 178.10 2roq h SER 127 N 0.05 0.00 0.00 1.25 0.87 -0.89 0.46 113.55 115.29 2roq h SER 127 Ca -0.18 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.22 2roq h SER 127 Cb 1.96 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.89 2roq h SER 127 CO 0.16 0.00 -2.12 -2.11 -0.53 0.00 0.00 176.83 172.23 2roq n ARG 128 N -4.20 0.73 0.19 2.24 1.85 -0.82 -0.00 116.66 116.64 2roq n ARG 128 Ca 0.03 -0.11 0.10 0.00 -1.00 0.00 0.00 57.85 56.87 2roq n ARG 128 Cb 0.33 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.37 2roq n ARG 128 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 2roq h TYR 129 N 0.00 0.00 0.00 2.89 -1.99 -0.69 -3.36 116.97 113.81 2roq h TYR 129 Ca -0.23 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.11 2roq h TYR 129 Cb 1.51 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.17 2roq h TYR 129 CO 0.00 0.09 -2.36 1.47 -0.00 0.00 0.00 178.16 177.35 2roq n LEU 130 N -3.07 2.43 0.00 3.88 -0.00 0.15 -4.49 117.00 115.89 2roq n LEU 130 Ca 0.03 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2roq n LEU 130 Cb 0.57 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2roq n LEU 130 CO 0.36 0.73 0.00 0.47 -0.00 0.00 0.00 177.39 178.94 2roq n ASP 131 N -3.61 0.00 0.00 1.45 8.00 -1.15 -4.85 116.55 116.38 2roq n ASP 131 Ca -0.45 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.12 2roq n ASP 131 Cb 0.90 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 42.41 2roq n ASP 131 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2roq n PRO 132 N 0.00 0.33 0.00 -0.24 -0.04 0.99 -2.49 135.00 133.55 2roq n PRO 132 Ca 0.00 0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.70 2roq n PRO 132 Cb 0.00 -1.50 0.88 0.00 -0.04 0.00 0.00 33.50 32.84 2roq n PRO 132 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2roq n GLN 133 N -1.16 0.84 -2.06 0.54 6.02 -1.26 -4.83 117.38 115.46 2roq n GLN 133 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 2roq n GLN 133 Cb 0.09 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 2roq n GLN 133 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2roq n TRP 134 N -1.07 0.02 -4.26 1.08 5.03 -1.04 -4.65 117.44 112.55 2roq n TRP 134 Ca 0.21 -0.05 -0.23 0.00 3.03 0.00 0.00 57.50 60.46 2roq n TRP 134 Cb 0.14 -0.01 -0.07 0.00 -1.03 0.00 0.00 31.31 30.35 2roq n TRP 134 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2roq s SER 135 N -1.06 4.70 -0.13 -0.99 1.04 -0.85 -4.60 113.70 111.81 2roq s SER 135 Ca 0.00 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 2roq s SER 135 Cb 0.00 -0.93 0.03 0.00 0.10 0.00 0.00 66.02 65.22 2roq s SER 135 CO 0.00 0.00 0.33 0.27 0.98 0.00 0.00 173.24 174.82 2roq s ILE 136 N -2.27 -0.00 -0.08 -1.02 -0.00 0.90 0.04 121.20 118.77 2roq s ILE 136 Ca 0.31 0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.91 2roq s ILE 136 Cb -0.07 -0.47 0.03 0.00 -0.00 0.00 0.00 42.46 41.95 2roq s ILE 136 CO 0.21 0.01 0.20 0.27 -0.00 0.00 0.00 174.94 175.62 2roq s ILE 137 N 0.30 -0.01 -0.14 8.37 -4.36 -1.16 -2.11 121.20 122.08 2roq s ILE 137 Ca -0.01 0.04 0.00 0.00 -0.26 0.00 0.00 60.65 60.43 2roq s ILE 137 Cb -0.03 -0.30 0.02 0.00 1.25 0.00 0.00 42.46 43.41 2roq s ILE 137 CO -0.01 0.02 -0.14 -0.83 0.24 0.00 0.00 174.94 174.22 2roq s GLY 138 N 0.42 1.09 -0.77 6.27 0.00 -1.21 -1.91 107.32 111.20 2roq s GLY 138 Ca -0.03 -0.85 -0.26 0.00 0.00 0.00 0.00 44.72 43.59 2roq s GLY 138 CO -0.02 0.52 1.49 -1.50 0.00 0.00 0.00 173.10 173.59 2roq s ILE 139 N 1.45 3.65 0.19 0.90 2.07 -1.22 -3.39 121.20 124.85 2roq s ILE 139 Ca 0.04 0.10 -0.17 0.00 -1.41 0.00 0.00 60.65 59.21 2roq s ILE 139 Cb -0.13 -4.66 0.03 0.00 0.13 0.00 0.00 42.46 37.83 2roq s ILE 139 CO -0.09 -1.60 0.50 -1.58 -1.91 0.00 0.00 174.94 170.26 2roq s GLN 140 N 5.99 1.34 -0.28 3.50 -0.44 -1.26 -4.90 119.66 123.62 2roq s GLN 140 Ca 0.47 -0.86 -0.20 0.00 -2.50 0.00 0.00 55.36 52.27 2roq s GLN 140 Cb -0.08 0.51 0.11 0.00 -1.64 0.00 0.00 33.01 31.92 2roq s GLN 140 CO 0.11 -0.56 0.89 -1.54 0.50 0.00 0.00 175.29 174.68 2roq s SER 141 N -2.87 -0.63 0.12 6.67 1.04 -1.26 -4.62 113.70 112.15 2roq s SER 141 Ca 0.09 1.09 -0.31 0.00 0.48 0.00 0.00 55.95 57.30 2roq s SER 141 Cb -0.01 1.18 -0.08 0.00 0.10 0.00 0.00 66.02 67.22 2roq s SER 141 CO -0.04 -0.18 1.36 -2.16 0.98 0.00 0.00 173.24 173.20 2roq s PRO 142 N 0.89 4.34 -0.05 4.02 0.04 -1.26 -4.91 135.00 138.07 2roq s PRO 142 Ca -0.04 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 2roq s PRO 142 Cb -0.05 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2roq s PRO 142 CO -0.11 -0.39 0.28 1.03 0.04 0.00 0.00 177.00 177.85 2roq s ARG 143 N 0.90 0.50 -0.02 4.56 0.52 -1.26 -4.99 118.95 119.16 2roq s ARG 143 Ca 0.63 0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 55.61 2roq s ARG 143 Cb -0.36 0.23 -0.20 0.00 0.52 0.00 0.00 34.95 35.13 2roq s ARG 143 CO 0.31 -0.11 1.27 -1.00 0.02 0.00 0.00 175.30 175.79 2roq h PRO 144 N 4.71 0.01 0.00 3.54 0.13 -1.95 -3.45 132.00 134.98 2roq h PRO 144 Ca -0.28 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2roq h PRO 144 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2roq h PRO 144 CO 0.37 0.49 -0.03 -1.71 -0.23 0.00 0.00 178.00 176.89 2roq n ASN 145 N -4.85 -1.30 -4.26 1.44 5.15 -1.26 -4.67 115.26 105.51 2roq n ASN 145 Ca -0.08 -1.81 -0.34 0.00 -0.60 0.00 0.00 54.58 51.75 2roq n ASN 145 Cb 0.25 0.80 0.10 0.00 -0.53 0.00 0.00 39.78 40.40 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 1.34 -2.85 0.08 8.20 0.00 -1.26 -4.91 105.19 105.78 2roq n GLY 146 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2roq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2roq h PRO 147 N -1.45 0.10 -0.00 1.61 0.13 -2.03 -3.22 132.00 127.14 2roq h PRO 147 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2roq h PRO 147 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2roq h PRO 147 CO 0.31 0.56 -0.35 -1.33 -0.23 0.00 0.00 178.00 176.96 2roq n MET 148 N -4.77 0.35 0.04 0.86 2.81 -1.26 -3.76 117.12 111.39 2roq n MET 148 Ca -0.08 -0.19 0.08 0.00 -1.81 0.00 0.00 57.70 55.70 2roq n MET 148 Cb 0.28 -1.50 0.36 0.00 -0.71 0.00 0.00 33.22 31.65 2roq n MET 148 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roq n GLN 149 N -1.16 0.06 0.46 0.03 1.13 -1.21 0.01 117.38 116.70 2roq n GLN 149 Ca 0.09 0.31 -0.18 0.00 -1.94 0.00 0.00 57.00 55.28 2roq n GLN 149 Cb 0.33 -1.61 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.68 -3.37 112.91 114.29 2roq h THR 150 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2roq h THR 150 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 2roq h THR 150 CO 0.00 0.00 -0.43 0.00 -0.25 0.00 0.00 175.52 174.84 2roq n ALA 151 N -2.67 1.17 1.52 6.62 0.00 -1.22 -4.73 120.51 121.21 2roq n ALA 151 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2roq n ALA 151 Cb 0.47 0.06 0.21 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.92 2.51 -0.15 0.00 0.00 0.38 -4.09 120.51 118.24 2roq n ALA 152 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.09 2roq n ALA 152 Cb 0.12 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.54 2roq n ALA 152 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2roq h ASN 153 N 1.01 0.29 0.09 0.00 -1.07 -0.58 -0.19 115.58 115.13 2roq h ASN 153 Ca 0.00 0.03 -0.06 0.00 0.07 0.00 0.00 56.30 56.34 2roq h ASN 153 Cb 0.23 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.45 2roq h ASN 153 CO 0.00 0.21 -0.19 -0.07 0.07 0.00 0.00 177.43 177.45 2roq h LEU 154 N 0.42 0.19 0.04 6.14 3.38 -1.87 -2.11 115.31 121.51 2roq h LEU 154 Ca 0.20 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2roq h LEU 154 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2roq h LEU 154 CO -0.16 0.40 -0.02 0.44 0.09 0.00 0.00 178.44 179.19 2roq h ASP 155 N 0.19 -0.05 0.42 -0.43 5.19 -1.54 -2.14 116.42 118.05 2roq h ASP 155 Ca 0.04 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 2roq h ASP 155 Cb 0.45 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2roq h ASP 155 CO 0.03 0.41 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.92 2roq h GLU 156 N -0.52 -0.69 -0.89 3.56 4.39 -0.96 -2.04 114.58 117.43 2roq h GLU 156 Ca -0.01 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.88 2roq h GLU 156 Cb 0.47 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.19 2roq h GLU 156 CO 0.01 -0.46 0.50 -0.39 -1.16 0.00 0.00 179.01 177.50 2roq h VAL 157 N -0.72 0.78 0.49 3.13 -1.51 -1.47 -2.01 116.25 114.94 2roq h VAL 157 Ca -0.04 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 2roq h VAL 157 Cb 0.62 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 2roq h VAL 157 CO 0.00 0.13 -0.40 0.00 -1.23 0.00 0.00 177.57 176.07 2roq h GLU 159 N -0.89 -0.53 -0.06 0.00 4.39 -0.85 0.17 114.58 116.82 2roq h GLU 159 Ca -0.05 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2roq h GLU 159 Cb 0.76 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 2roq h GLU 159 CO -0.01 -0.35 -0.37 0.00 -1.16 0.00 0.00 179.01 177.11 2roq h ALA 160 N -0.83 -0.54 -0.06 3.43 0.00 -1.36 0.12 119.26 120.02 2roq h ALA 160 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2roq h ALA 160 Cb 0.55 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2roq h ALA 160 CO -0.21 -0.88 -0.35 1.25 0.00 0.00 0.00 179.25 179.06 2roq h HIS 161 N -0.49 -1.03 -0.77 0.00 -0.00 -0.15 -1.54 115.15 111.17 2roq h HIS 161 Ca 0.07 0.04 0.17 0.00 -0.00 0.00 0.00 60.37 60.64 2roq h HIS 161 Cb 0.60 0.46 -0.11 0.00 -0.00 0.00 0.00 27.41 28.36 2roq h HIS 161 CO -0.41 -0.35 0.25 1.25 -0.00 0.00 0.00 177.93 178.66 2roq h LEU 162 N -0.39 0.13 -0.86 0.26 5.85 -0.47 0.64 115.31 120.48 2roq h LEU 162 Ca 0.02 0.14 0.19 0.00 0.84 0.00 0.00 57.88 59.06 2roq h LEU 162 Cb 0.44 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 2roq h LEU 162 CO -0.27 0.00 0.38 0.00 -0.34 0.00 0.00 178.44 178.21 2roq h ALA 163 N 1.61 1.31 -0.23 1.25 0.00 0.20 0.11 119.26 123.52 2roq h ALA 163 Ca 0.44 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.34 2roq h ALA 163 Cb 0.75 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2roq h ALA 163 CO -0.49 -0.26 -0.49 1.15 0.00 0.00 0.00 179.25 179.16 2roq h THR 164 N 0.45 1.31 0.82 0.00 2.02 -0.19 -1.95 112.91 115.36 2roq h THR 164 Ca 0.51 -1.70 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 2roq h THR 164 Cb 0.88 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 2roq h THR 164 CO -0.47 0.54 -0.39 -0.07 0.37 0.00 0.00 175.52 175.49 2roq h LEU 165 N 0.48 -0.93 -2.65 2.58 4.07 -0.14 -1.98 115.31 116.74 2roq h LEU 165 Ca 0.02 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 2roq h LEU 165 Cb 1.03 0.24 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 2roq h LEU 165 CO 0.10 -0.62 -0.01 -0.07 -1.08 0.00 0.00 178.44 176.76 2roq h LEU 166 N -1.18 0.00 -0.56 1.67 -0.00 -1.22 -0.59 115.31 113.43 2roq h LEU 166 Ca -0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.66 2roq h LEU 166 Cb 0.84 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2roq h LEU 166 CO 0.18 0.01 -0.51 -0.33 -0.00 0.00 0.00 178.44 177.79 2roq h GLU 167 N 0.00 0.00 0.02 1.13 4.39 -1.02 -3.21 114.58 115.88 2roq h GLU 167 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2roq h GLU 167 Cb 0.10 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2roq h GLU 167 CO 0.00 0.51 -1.56 1.96 -1.16 0.00 0.00 179.01 178.76 2roq h GLN 168 N 0.00 0.04 -1.94 2.33 1.08 -0.37 -3.48 115.11 112.76 2roq h GLN 168 Ca -0.01 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2roq h GLN 168 Cb 1.15 0.02 -0.20 0.00 -0.05 0.00 0.00 27.48 28.41 2roq h GLN 168 CO 0.07 0.69 0.32 -0.65 -0.95 0.00 0.00 178.83 178.31 2roq s GLN 169 N -2.62 0.91 -0.02 1.46 -0.21 -0.88 -5.07 119.66 113.22 2roq s GLN 169 Ca -0.05 0.14 -0.26 0.00 0.02 0.00 0.00 55.36 55.22 2roq s GLN 169 Cb 0.08 0.43 -0.20 0.00 1.00 0.00 0.00 33.01 34.32 2roq s GLN 169 CO 0.82 -0.30 1.24 -1.00 -2.12 0.00 0.00 175.29 173.93 2roq h PRO 170 N 2.73 -0.04 -3.24 2.91 0.13 -1.86 -3.34 132.00 129.29 2roq h PRO 170 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 2roq h PRO 170 Cb 1.16 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2roq h PRO 170 CO 0.36 0.44 0.16 -3.38 -0.23 0.00 0.00 178.00 175.35 2roq s HIS 171 N -4.22 0.27 0.00 1.56 -3.43 -1.26 -4.93 115.29 103.28 2roq s HIS 171 Ca -0.16 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.27 2roq s HIS 171 Cb 0.02 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2roq s HIS 171 CO 0.65 -1.43 0.00 0.41 -2.00 0.00 0.00 174.74 172.38 2roq n GLY 172 N -0.52 2.52 3.60 -1.38 0.00 -1.26 -5.03 105.19 103.12 2roq n GLY 172 Ca -0.06 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.81 3.45 -0.09 1.61 0.04 -1.26 -4.48 135.00 132.48 2roq s PRO 173 Ca 0.00 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.40 2roq s PRO 173 Cb 0.00 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 2roq s PRO 173 CO 0.00 -1.72 -0.11 0.71 0.04 0.00 0.00 177.00 175.93 2roq s TYR 174 N 6.33 2.83 -0.31 0.56 2.02 -1.26 -4.68 117.35 122.85 2roq s TYR 174 Ca 0.75 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 57.13 2roq s TYR 174 Cb -0.21 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2roq s TYR 174 CO 0.33 0.11 0.10 0.71 -1.57 0.00 0.00 175.55 175.23 2roq s TYR 175 N -0.38 3.16 0.39 2.71 1.51 -1.26 -2.42 117.35 121.06 2roq s TYR 175 Ca 0.05 -0.91 0.08 0.00 -1.01 0.00 0.00 57.07 55.28 2roq s TYR 175 Cb -0.12 -2.29 -0.06 0.00 -0.11 0.00 0.00 41.96 39.38 2roq s TYR 175 CO 0.02 -0.56 0.06 -0.51 -1.11 0.00 0.00 175.55 173.45 2roq s LEU 176 N 1.52 2.97 0.05 -1.29 1.43 -1.15 -3.32 118.68 118.89 2roq s LEU 176 Ca 0.03 -1.16 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 2roq s LEU 176 Cb -0.17 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2roq s LEU 176 CO 0.04 -0.40 -0.15 -0.76 0.23 0.00 0.00 176.35 175.31 2roq s LEU 177 N -3.76 2.20 0.33 1.79 1.02 -1.19 -0.05 118.68 119.02 2roq s LEU 177 Ca 0.37 -0.50 0.09 0.00 0.02 0.00 0.00 54.13 54.10 2roq s LEU 177 Cb 0.05 -0.60 -0.05 0.00 0.02 0.00 0.00 46.19 45.60 2roq s LEU 177 CO 0.20 0.01 -0.00 -0.83 0.02 0.00 0.00 176.35 175.75 2roq s GLY 178 N -1.30 2.03 -0.24 -3.19 0.00 0.12 -3.38 107.32 101.36 2roq s GLY 178 Ca 0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 44.72 42.76 2roq s GLY 178 CO 0.02 -1.89 0.43 -0.19 0.00 0.00 0.00 173.10 171.46 2roq s TYR 179 N -2.51 -0.96 0.00 1.90 2.02 -1.14 -3.10 117.35 113.57 2roq s TYR 179 Ca 0.34 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 2roq s TYR 179 Cb -0.01 0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.74 2roq s TYR 179 CO 0.19 -0.69 0.00 0.45 -1.57 0.00 0.00 175.55 173.93 2roq n SER 180 N 5.38 0.00 0.11 2.29 2.88 -0.36 -2.48 113.62 121.45 2roq n SER 180 Ca -0.04 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.59 2roq n SER 180 Cb 0.50 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.40 2roq n SER 180 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2roq n LEU 181 N 0.00 0.47 -0.29 2.46 7.99 -1.26 -2.97 117.00 123.40 2roq n LEU 181 Ca 0.00 0.66 0.34 0.00 -0.01 0.00 0.00 56.01 57.00 2roq n LEU 181 Cb 0.00 -0.64 0.72 0.00 -0.11 0.00 0.00 43.42 43.39 2roq n LEU 181 CO 0.00 -0.64 1.31 1.23 -1.51 0.00 0.00 177.39 177.78 2roq h GLY 182 N 1.30 0.00 0.00 -0.72 0.00 -1.72 -1.93 103.07 100.01 2roq h GLY 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2roq h GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2roq n GLY 183 N -1.74 -3.05 0.16 4.60 0.00 -1.16 0.31 105.19 104.31 2roq n GLY 183 Ca 0.25 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 2roq n GLY 183 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2roq h THR 184 N 0.00 1.26 0.02 2.61 1.35 -1.80 -2.16 112.91 114.19 2roq h THR 184 Ca 0.00 -0.91 0.02 0.00 -0.55 0.00 0.00 66.41 64.97 2roq h THR 184 Cb 0.00 1.34 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 2roq h THR 184 CO 0.00 0.29 -0.49 0.25 -0.25 0.00 0.00 175.52 175.32 2roq h LEU 185 N 0.24 -1.50 -0.91 3.87 7.12 -1.39 -0.64 115.31 122.10 2roq h LEU 185 Ca 0.07 0.17 0.07 0.00 0.13 0.00 0.00 57.88 58.33 2roq h LEU 185 Cb 0.42 0.57 -0.07 0.00 -0.53 0.00 0.00 40.66 41.05 2roq h LEU 185 CO 0.01 -0.51 0.57 0.00 -0.13 0.00 0.00 178.44 178.38 2roq h ALA 186 N -0.29 1.28 0.29 1.25 0.00 -0.18 -2.06 119.26 119.54 2roq h ALA 186 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2roq h ALA 186 Cb 0.71 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2roq h ALA 186 CO -0.33 0.29 -0.42 1.96 0.00 0.00 0.00 179.25 180.76 2roq h GLN 187 N 1.01 -0.73 0.62 0.00 4.20 -0.62 0.40 115.11 119.98 2roq h GLN 187 Ca 0.41 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.14 2roq h GLN 187 Cb 0.23 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2roq h GLN 187 CO -0.19 -0.49 -0.48 0.78 -0.67 0.00 0.00 178.83 177.78 2roq h GLY 188 N -0.76 -1.28 0.47 3.46 0.00 -0.86 -2.04 103.07 102.06 2roq h GLY 188 Ca -0.01 0.56 0.17 0.00 0.00 0.00 0.00 47.33 48.05 2roq h GLY 188 CO -0.14 -0.40 0.56 1.19 0.00 0.00 0.00 176.54 177.75 2roq h ILE 189 N -1.06 0.75 -0.32 2.60 2.10 -1.34 -0.88 117.51 119.35 2roq h ILE 189 Ca -0.08 -0.17 0.01 0.00 1.08 0.00 0.00 64.86 65.70 2roq h ILE 189 Cb 0.89 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 36.82 2roq h ILE 189 CO 0.02 0.09 0.21 0.00 -1.08 0.00 0.00 178.15 177.38 2roq h ALA 190 N 1.62 0.41 0.00 0.18 0.00 0.29 -1.94 119.26 119.82 2roq h ALA 190 Ca 0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 2roq h ALA 190 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2roq h ALA 190 CO -0.17 -0.14 -0.28 0.00 0.00 0.00 0.00 179.25 178.66 2roq h ALA 191 N 1.12 1.33 -0.40 0.00 0.00 -0.49 -2.03 119.26 118.79 2roq h ALA 191 Ca 0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 191 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2roq h ALA 191 CO -0.03 0.35 -0.17 -0.09 0.00 0.00 0.00 179.25 179.31 2roq h ARG 192 N 0.00 0.82 0.21 0.00 9.65 -0.66 -2.13 114.38 122.27 2roq h ARG 192 Ca -0.00 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.52 2roq h ARG 192 Cb 0.57 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 2roq h ARG 192 CO 0.04 0.98 -0.10 -0.07 2.80 0.00 0.00 179.97 183.61 2roq h LEU 193 N 0.63 -0.24 -1.99 3.80 3.38 -1.16 0.30 115.31 120.03 2roq h LEU 193 Ca 0.09 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 57.95 2roq h LEU 193 Cb 0.72 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2roq h LEU 193 CO 0.05 0.26 0.49 0.03 0.09 0.00 0.00 178.44 179.37 2roq h ARG 194 N -0.87 0.00 0.00 1.13 2.47 -0.87 0.26 114.38 116.50 2roq h ARG 194 Ca -0.03 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 2roq h ARG 194 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 2roq h ARG 194 CO 0.05 0.00 -1.54 0.00 0.56 0.00 0.00 179.97 179.04 2roq n ALA 195 N -2.55 2.42 0.25 0.04 0.00 -0.80 -4.03 120.51 115.84 2roq n ALA 195 Ca 0.12 -0.48 0.14 0.00 0.00 0.00 0.00 53.44 53.22 2roq n ALA 195 Cb 0.73 -0.88 0.49 0.00 0.00 0.00 0.00 19.45 19.79 2roq n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roq h ARG 196 N 0.00 0.00 0.00 0.00 2.47 0.32 -3.46 114.38 113.71 2roq h ARG 196 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2roq h ARG 196 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2roq h ARG 196 CO 0.01 0.05 0.00 0.41 0.56 0.00 0.00 179.97 181.00 2roq n GLY 197 N 0.37 1.85 2.88 0.04 0.00 -0.73 -5.06 105.19 104.55 2roq n GLY 197 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2roq n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2roq s GLU 198 N -0.01 0.14 -0.05 1.61 1.03 -0.75 -4.86 118.70 115.81 2roq s GLU 198 Ca 0.00 -0.03 -0.12 0.00 0.03 0.00 0.00 54.97 54.84 2roq s GLU 198 Cb 0.00 -0.17 -0.05 0.00 -0.80 0.00 0.00 34.13 33.11 2roq s GLU 198 CO 0.00 0.01 0.31 1.14 -1.33 0.00 0.00 175.26 175.39 2roq s GLN 199 N 0.13 3.80 -0.24 -4.83 -2.07 -1.26 -2.19 119.66 112.99 2roq s GLN 199 Ca -0.01 0.21 -0.26 0.00 -1.82 0.00 0.00 55.36 53.48 2roq s GLN 199 Cb -0.03 -3.23 0.00 0.00 -1.09 0.00 0.00 33.01 28.67 2roq s GLN 199 CO -0.00 0.68 0.92 0.14 -1.32 0.00 0.00 175.29 175.70 2roq s VAL 200 N -0.91 4.76 0.10 3.63 -7.23 -1.26 -4.00 120.40 115.48 2roq s VAL 200 Ca 0.20 1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 61.80 2roq s VAL 200 Cb -0.15 -4.20 -0.12 0.00 0.56 0.00 0.00 36.38 32.47 2roq s VAL 200 CO 0.10 -0.14 1.62 0.00 -0.31 0.00 0.00 175.10 176.37 2roq h ALA 201 N 7.63 -0.70 -0.47 1.32 0.00 -1.75 -3.43 119.26 121.86 2roq h ALA 201 Ca -0.21 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 54.79 2roq h ALA 201 Cb 1.08 0.49 -0.21 0.00 0.00 0.00 0.00 17.79 19.15 2roq h ALA 201 CO 0.92 -0.93 0.04 0.12 0.00 0.00 0.00 179.25 179.40 2roq s PHE 202 N -6.01 -0.77 0.30 0.00 2.19 -1.20 -4.75 117.98 107.74 2roq s PHE 202 Ca -0.17 0.81 -0.11 0.00 0.33 0.00 0.00 56.93 57.79 2roq s PHE 202 Cb 0.06 0.27 -0.07 0.00 -1.31 0.00 0.00 43.02 41.96 2roq s PHE 202 CO 0.63 -0.42 0.65 -0.51 1.83 0.00 0.00 175.22 177.41 2roq s LEU 203 N 2.93 4.06 -0.02 6.12 1.43 -1.22 -2.91 118.68 129.07 2roq s LEU 203 Ca 0.04 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2roq s LEU 203 Cb -0.11 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2roq s LEU 203 CO -0.13 -0.19 0.03 -0.83 0.23 0.00 0.00 176.35 175.45 2roq s GLY 204 N -2.54 1.92 -0.17 -3.19 0.00 0.93 -2.17 107.32 102.08 2roq s GLY 204 Ca 0.50 -0.90 -0.05 0.00 0.00 0.00 0.00 44.72 44.27 2roq s GLY 204 CO 0.22 -0.75 0.11 1.08 0.00 0.00 0.00 173.10 173.76 2roq s LEU 205 N -1.49 0.28 -0.34 0.66 1.43 -0.83 0.13 118.68 118.53 2roq s LEU 205 Ca 0.19 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2roq s LEU 205 Cb -0.12 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 2roq s LEU 205 CO 0.10 -0.35 0.28 -0.76 0.23 0.00 0.00 176.35 175.86 2roq s LEU 206 N 2.17 4.48 -0.21 1.79 2.01 -1.18 -1.50 118.68 126.23 2roq s LEU 206 Ca 0.03 -0.34 -0.04 0.00 0.01 0.00 0.00 54.13 53.79 2roq s LEU 206 Cb -0.16 -2.21 0.02 0.00 0.01 0.00 0.00 46.19 43.84 2roq s LEU 206 CO -0.09 -0.27 0.08 -0.67 1.01 0.00 0.00 176.35 176.41 2roq n ASP 207 N 5.21 -4.44 -3.50 2.29 2.03 -1.18 -1.22 116.55 115.74 2roq n ASP 207 Ca -0.11 1.14 -0.16 0.00 0.52 0.00 0.00 54.79 56.18 2roq n ASP 207 Cb 0.50 -4.50 -0.05 0.00 -0.72 0.00 0.00 41.12 36.35 2roq n ASP 207 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2roq s THR 208 N -1.02 0.00 0.25 5.18 2.01 -0.56 -4.36 115.64 117.14 2roq s THR 208 Ca -0.09 0.00 0.05 0.00 0.31 0.00 0.00 61.69 61.96 2roq s THR 208 Cb 0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2roq s THR 208 CO 0.64 0.00 0.38 0.26 -0.69 0.00 0.00 174.62 175.21 2roq s TRP 209 N -1.80 3.43 0.96 4.92 0.23 -1.26 -4.62 118.94 120.79 2roq s TRP 209 Ca -0.07 -0.01 -0.12 0.00 -2.03 0.00 0.00 56.10 53.87 2roq s TRP 209 Cb -0.00 -1.62 0.16 0.00 0.03 0.00 0.00 33.47 32.04 2roq s TRP 209 CO 0.04 0.39 1.09 -1.25 0.96 0.00 0.00 176.95 178.18 2roq s PRO 210 N -4.01 0.77 0.00 4.98 0.04 -1.26 -4.92 135.00 130.59 2roq s PRO 210 Ca 0.35 0.64 0.14 0.00 0.04 0.00 0.00 61.00 62.18 2roq s PRO 210 Cb -0.09 -1.77 0.65 0.00 0.04 0.00 0.00 34.50 33.33 2roq s PRO 210 CO 0.30 -2.53 1.44 -0.35 0.04 0.00 0.00 177.00 175.89 2roq n PRO 211 N -4.06 0.06 -0.08 0.56 -0.04 -1.26 -3.49 135.00 126.70 2roq n PRO 211 Ca 0.06 0.22 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 2roq n PRO 211 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2roq n PRO 211 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2roq h GLU 212 N 0.00 -0.11 -1.42 0.54 4.81 -1.94 -3.45 114.58 113.01 2roq h GLU 212 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2roq h GLU 212 Cb 0.21 0.03 -0.28 0.00 0.63 0.00 0.00 28.75 29.33 2roq h GLU 212 CO 0.00 -0.07 0.60 0.95 -0.73 0.00 0.00 179.01 179.76 2roq s THR 213 N -6.16 0.00 0.46 0.32 -4.23 -1.23 -5.11 115.64 99.70 2roq s THR 213 Ca -0.14 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 2roq s THR 213 Cb 0.13 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.99 2roq s THR 213 CO 0.69 0.00 0.63 -1.10 -0.54 0.00 0.00 174.62 174.30 2roq s GLN 214 N 0.08 2.75 0.00 3.99 -0.21 -1.26 -4.72 119.66 120.29 2roq s GLN 214 Ca 0.04 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.32 2roq s GLN 214 Cb -0.05 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.28 2roq s GLN 214 CO -0.09 -0.40 0.00 0.09 -2.12 0.00 0.00 175.29 172.78 2roq n ASN 215 N -1.99 3.60 0.00 5.90 4.13 -1.26 -4.09 115.26 121.55 2roq n ASN 215 Ca 0.08 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.45 2roq n ASN 215 Cb 0.59 0.06 -0.14 0.00 -1.54 0.00 0.00 39.78 38.76 2roq n ASN 215 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2roq n TRP 216 N -2.29 0.07 -0.10 3.10 5.03 -1.26 -2.96 117.44 119.02 2roq n TRP 216 Ca 0.00 0.02 -0.15 0.00 3.03 0.00 0.00 57.50 60.40 2roq n TRP 216 Cb 0.44 -0.41 -0.06 0.00 -1.03 0.00 0.00 31.31 30.25 2roq n TRP 216 CO 0.00 0.00 0.00 0.94 -0.03 0.00 0.00 177.69 178.60 2roq n GLN 217 N -2.09 0.53 0.04 -0.99 0.00 -1.26 -3.41 117.38 110.20 2roq n GLN 217 Ca -0.02 0.38 -0.06 0.00 -0.00 0.00 0.00 57.00 57.31 2roq n GLN 217 Cb 0.51 -1.58 -0.11 0.00 0.00 0.00 0.00 30.24 29.06 2roq n GLN 217 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2roq h GLU 218 N -1.00 0.00 -0.47 3.69 4.57 -1.81 -3.33 114.58 116.23 2roq h GLU 218 Ca -0.23 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.67 2roq h GLU 218 Cb 1.07 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.49 2roq h GLU 218 CO -0.14 0.67 -0.08 1.63 -1.18 0.00 0.00 179.01 179.91 2roq n LYS 219 N -3.17 2.11 -0.35 1.92 5.02 -1.16 -4.74 118.16 117.80 2roq n LYS 219 Ca -0.07 -3.31 0.13 0.00 -2.02 0.00 0.00 58.31 53.04 2roq n LYS 219 Cb 0.94 -1.92 0.33 0.00 -0.02 0.00 0.00 35.03 34.36 2roq n LYS 219 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2roq h GLU 220 N 1.21 0.73 -0.12 1.97 -0.00 -1.56 0.25 114.58 117.07 2roq h GLU 220 Ca 0.29 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.36 59.54 2roq h GLU 220 Cb 1.64 -0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 30.19 2roq h GLU 220 CO 0.55 0.49 -0.31 0.00 -0.00 0.00 0.00 179.01 179.74 2roq n ALA 221 N -2.33 3.73 -2.04 1.06 0.00 -1.26 -4.10 120.51 115.58 2roq n ALA 221 Ca 0.24 -3.16 -0.02 0.00 0.00 0.00 0.00 53.44 50.49 2roq n ALA 221 Cb 0.58 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 2roq n ALA 221 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2roq n ASN 222 N -1.13 -0.24 0.00 0.00 4.13 -0.40 -4.95 115.26 112.67 2roq n ASN 222 Ca 0.23 -1.50 0.00 0.00 1.68 0.00 0.00 54.58 55.00 2roq n ASN 222 Cb 0.80 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 39.09 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2roq n GLY 223 N 0.04 0.08 3.55 7.41 0.00 0.75 -4.89 105.19 112.13 2roq n GLY 223 Ca -0.08 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2roq n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2roq s LEU 224 N -1.26 3.26 0.45 0.99 1.43 -0.93 -4.94 118.68 117.68 2roq s LEU 224 Ca 0.00 0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 53.49 2roq s LEU 224 Cb 0.00 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 2roq s LEU 224 CO 0.00 -2.92 0.91 -1.81 0.23 0.00 0.00 176.35 172.75 2roq s ASP 225 N 10.58 6.71 0.00 2.29 1.01 -1.26 -4.94 116.67 131.05 2roq s ASP 225 Ca 0.86 1.49 0.16 0.00 0.71 0.00 0.00 52.55 55.77 2roq s ASP 225 Cb -0.14 -2.47 0.91 0.00 1.01 0.00 0.00 42.92 42.23 2roq s ASP 225 CO 0.19 -0.45 1.35 -0.81 0.21 0.00 0.00 175.17 175.67 2roq n PRO 226 N -1.13 0.45 0.07 8.23 -0.04 -1.26 -2.62 135.00 138.70 2roq n PRO 226 Ca 0.06 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 2roq n PRO 226 Cb 0.54 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.31 0.09 0.54 5.08 -1.99 -3.11 114.58 115.50 2roq h GLU 227 Ca 0.00 -0.53 -0.27 0.00 -1.00 0.00 0.00 59.36 57.55 2roq h GLU 227 Cb 0.02 0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.48 2roq h GLU 227 CO 0.00 1.20 -1.16 -0.24 -1.00 0.00 0.00 179.01 177.81 2roq h VAL 228 N 0.09 1.37 -0.53 3.13 3.04 -1.91 -2.61 116.25 118.83 2roq h VAL 228 Ca -0.28 -2.61 -0.05 0.00 -1.01 0.00 0.00 66.70 62.75 2roq h VAL 228 Cb 2.05 2.68 -0.02 0.00 -2.01 0.00 0.00 31.29 33.99 2roq h VAL 228 CO 0.17 0.78 0.12 -0.07 -1.01 0.00 0.00 177.57 177.56 2roq h LEU 229 N 0.21 0.81 -0.82 3.16 3.38 -1.70 -2.07 115.31 118.28 2roq h LEU 229 Ca -0.14 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2roq h LEU 229 Cb 1.83 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2roq h LEU 229 CO 0.21 0.84 -0.54 0.00 0.09 0.00 0.00 178.44 179.04 2roq h ALA 230 N 1.00 1.01 0.12 1.53 0.00 -1.62 -2.05 119.26 119.25 2roq h ALA 230 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 230 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2roq h ALA 230 CO 0.00 0.68 -0.06 0.93 0.00 0.00 0.00 179.25 180.81 2roq h GLU 231 N 0.11 -0.16 -0.52 0.00 4.39 -1.19 -2.10 114.58 115.12 2roq h GLU 231 Ca -0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2roq h GLU 231 Cb 0.99 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2roq h GLU 231 CO 0.08 0.12 0.01 -0.84 -1.16 0.00 0.00 179.01 177.22 2roq h ILE 232 N -0.44 1.25 -0.32 3.13 3.07 -1.40 -1.95 117.51 120.85 2roq h ILE 232 Ca -0.02 -1.03 0.02 0.00 1.55 0.00 0.00 64.86 65.38 2roq h ILE 232 Cb 0.35 0.84 -0.02 0.00 -0.27 0.00 0.00 36.82 37.72 2roq h ILE 232 CO 0.03 0.37 0.18 -1.13 -1.05 0.00 0.00 178.15 176.54 2roq h ASN 233 N 0.81 0.27 1.16 2.16 -1.24 -1.32 -1.33 115.58 116.10 2roq h ASN 233 Ca 0.15 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.17 2roq h ASN 233 Cb 0.47 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2roq h ASN 233 CO 0.02 0.20 0.00 -0.09 -1.29 0.00 0.00 177.43 176.27 2roq h ARG 234 N 0.36 0.00 0.21 6.67 2.43 -1.23 -2.11 114.38 120.71 2roq h ARG 234 Ca 0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2roq h ARG 234 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2roq h ARG 234 CO -0.07 0.00 -0.10 1.49 -1.51 0.00 0.00 179.97 179.77 2roq h GLU 235 N 0.00 -0.28 -0.20 0.20 4.57 -0.47 -1.35 114.58 117.06 2roq h GLU 235 Ca 0.00 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 2roq h GLU 235 Cb 0.58 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2roq h GLU 235 CO 0.00 0.11 -0.38 0.07 -1.18 0.00 0.00 179.01 177.62 2roq h ARG 236 N -0.83 0.44 0.00 1.92 0.11 -1.39 -2.02 114.38 112.61 2roq h ARG 236 Ca -0.03 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2roq h ARG 236 Cb 0.51 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2roq h ARG 236 CO 0.05 0.76 0.00 1.05 0.10 0.00 0.00 179.97 181.93 2roq h GLU 237 N 0.37 0.00 0.00 0.08 4.11 -1.45 0.13 114.58 117.83 2roq h GLU 237 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 2roq h GLU 237 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2roq h GLU 237 CO 0.07 0.00 -1.21 0.00 0.07 0.00 0.00 179.01 177.94 2roq n ALA 238 N -2.07 2.41 -0.09 1.06 0.00 -0.51 -3.53 120.51 117.78 2roq n ALA 238 Ca 0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 2roq n ALA 238 Cb 0.37 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 2roq n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roq n PHE 239 N -2.68 0.25 -0.18 0.00 -0.00 -0.79 -4.04 117.46 110.01 2roq n PHE 239 Ca -0.03 0.11 -0.01 0.00 -0.00 0.00 0.00 57.45 57.51 2roq n PHE 239 Cb 0.62 -0.66 0.09 0.00 -0.00 0.00 0.00 39.48 39.53 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2roq h LEU 240 N -1.00 0.17 0.31 -2.13 7.12 -0.97 -2.76 115.31 116.05 2roq h LEU 240 Ca -0.12 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 2roq h LEU 240 Cb 1.00 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 41.16 2roq h LEU 240 CO -0.07 0.11 -0.51 0.00 -0.13 0.00 0.00 178.44 177.84 2roq h ALA 241 N 1.39 -1.05 -4.90 1.25 0.00 -1.69 -3.45 119.26 110.80 2roq h ALA 241 Ca 0.28 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 2roq h ALA 241 Cb 0.33 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2roq h ALA 241 CO -0.29 -1.15 -0.37 0.00 0.00 0.00 0.00 179.25 177.44 2roq n ALA 242 N -2.87 -0.96 -3.85 0.00 0.00 -1.05 -0.57 120.51 111.22 2roq n ALA 242 Ca -0.10 0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2roq n ALA 242 Cb 0.44 -1.83 0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 -3.16 -4.38 0.00 0.00 6.02 -1.26 -4.91 117.38 109.68 2roq n GLN 243 Ca -0.05 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2roq n GLN 243 Cb 0.55 -5.01 0.00 0.00 1.02 0.00 0.00 30.24 26.80 2roq n GLN 243 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2roq n GLN 244 N -4.39 0.00 0.00 -1.09 7.27 0.27 -4.98 117.38 114.47 2roq n GLN 244 Ca -0.23 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.32 2roq n GLN 244 Cb 0.65 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 32.03 2roq n GLN 244 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2roq n GLY 245 N -0.86 1.51 0.06 1.69 0.00 -1.26 -4.99 105.19 101.33 2roq n GLY 245 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2roq n GLY 245 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2roq h SER 246 N 0.00 0.05 -6.74 1.61 0.87 -1.99 -3.46 113.55 103.90 2roq h SER 246 Ca 0.00 -0.05 -0.52 0.00 -1.23 0.00 0.00 61.79 59.99 2roq h SER 246 Cb 0.00 -0.01 -0.19 0.00 -0.44 0.00 0.00 62.40 61.76 2roq h SER 246 CO 0.00 0.08 -0.81 1.07 -0.53 0.00 0.00 176.83 176.64 2roq n THR 247 N -5.04 -0.76 -0.03 2.23 5.66 -1.26 -4.76 114.28 110.32 2roq n THR 247 Ca -0.06 -0.38 0.05 0.00 -3.05 0.00 0.00 64.05 60.60 2roq n THR 247 Cb 0.05 -0.80 0.24 0.00 -1.55 0.00 0.00 70.33 68.27 2roq n THR 247 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2roq n SER 248 N -2.34 3.64 -0.53 1.09 7.64 -1.26 -4.86 113.62 117.00 2roq n SER 248 Ca -0.24 -2.48 -0.07 0.00 1.01 0.00 0.00 58.87 57.09 2roq n SER 248 Cb 0.57 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2roq n SER 248 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2roq n THR 249 N 0.44 0.00 -0.01 0.44 -1.04 -1.26 -4.89 114.28 107.96 2roq n THR 249 Ca 0.16 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2roq n THR 249 Cb 0.76 -1.12 -0.00 0.00 -1.82 0.00 0.00 70.33 68.14 2roq n THR 249 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2roq h GLU 250 N 0.15 -0.03 0.00 -2.82 5.08 -1.97 -2.13 114.58 112.87 2roq h GLU 250 Ca -0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2roq h GLU 250 Cb 0.86 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2roq h GLU 250 CO 0.21 -0.02 -0.12 1.25 -1.00 0.00 0.00 179.01 179.33 2roq h LEU 251 N -0.39 0.00 0.30 1.33 6.46 -1.99 -2.12 115.31 118.89 2roq h LEU 251 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2roq h LEU 251 Cb 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2roq h LEU 251 CO 0.00 0.12 -0.14 -0.26 -0.62 0.00 0.00 178.44 177.54 2roq h PHE 252 N 0.00 -0.37 -0.80 1.25 0.04 -1.96 -2.12 116.94 112.98 2roq h PHE 252 Ca -0.00 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 60.97 2roq h PHE 252 Cb 0.24 0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 2roq h PHE 252 CO 0.00 -0.19 0.56 1.15 -0.60 0.00 0.00 178.31 179.23 2roq h THR 253 N -1.09 0.64 -0.05 -1.55 2.02 -1.31 0.36 112.91 111.93 2roq h THR 253 Ca -0.04 -0.04 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 2roq h THR 253 Cb 0.34 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2roq h THR 253 CO 0.07 0.02 -0.73 0.74 0.37 0.00 0.00 175.52 176.00 2roq h THR 254 N 0.13 1.35 0.50 3.16 2.02 -1.43 -2.12 112.91 116.52 2roq h THR 254 Ca 0.39 -2.05 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 2roq h THR 254 Cb 1.35 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2roq h THR 254 CO -0.06 0.62 -0.24 0.40 0.37 0.00 0.00 175.52 176.61 2roq h ILE 255 N 0.19 0.00 -0.73 3.11 1.08 -0.32 -0.98 117.51 119.86 2roq h ILE 255 Ca -0.08 -0.27 0.14 0.00 -0.39 0.00 0.00 64.86 64.26 2roq h ILE 255 Cb 1.39 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 2roq h ILE 255 CO 0.15 0.00 0.49 -0.08 -0.69 0.00 0.00 178.15 178.01 2roq h GLU 256 N -0.95 0.42 -0.35 2.37 4.22 -1.17 0.32 114.58 119.44 2roq h GLU 256 Ca -0.07 -0.03 -0.17 0.00 0.08 0.00 0.00 59.36 59.18 2roq h GLU 256 Cb 0.52 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2roq h GLU 256 CO 0.11 0.28 -0.43 0.78 -2.18 0.00 0.00 179.01 177.57 2roq h GLY 257 N 0.43 0.99 0.09 1.92 0.00 -1.37 -2.13 103.07 103.01 2roq h GLY 257 Ca 0.35 -1.05 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2roq h GLY 257 CO -0.11 0.94 -0.03 3.43 0.00 0.00 0.00 176.54 180.77 2roq h ASN 258 N 0.72 -0.08 -0.71 0.19 -0.26 0.12 -2.14 115.58 113.43 2roq h ASN 258 Ca 0.05 -0.22 0.15 0.00 -0.56 0.00 0.00 56.30 55.72 2roq h ASN 258 Cb 1.03 0.02 -0.10 0.00 -1.06 0.00 0.00 38.32 38.20 2roq h ASN 258 CO 0.10 0.51 0.18 0.22 -1.06 0.00 0.00 177.43 177.38 2roq h TYR 259 N -1.00 0.28 -0.16 1.19 5.03 -0.55 0.31 116.97 122.07 2roq h TYR 259 Ca -0.01 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.22 2roq h TYR 259 Cb 0.29 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2roq h TYR 259 CO 0.06 -0.06 -0.44 0.00 -1.32 0.00 0.00 178.16 176.40 2roq h ALA 260 N 1.58 0.96 -0.33 1.82 0.00 -1.51 -2.09 119.26 119.68 2roq h ALA 260 Ca 0.39 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2roq h ALA 260 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2roq h ALA 260 CO -0.48 0.63 -0.33 -0.44 0.00 0.00 0.00 179.25 178.64 2roq h ASP 261 N 0.31 0.76 -0.22 0.00 5.19 -0.11 -0.75 116.42 121.60 2roq h ASP 261 Ca 0.02 -0.31 -0.14 0.00 -0.62 0.00 0.00 57.03 55.98 2roq h ASP 261 Cb 0.90 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2roq h ASP 261 CO 0.08 1.02 -0.41 0.00 -3.12 0.00 0.00 179.24 176.80 2roq h ALA 262 N 1.02 0.35 0.00 3.45 0.00 -0.40 0.28 119.26 123.97 2roq h ALA 262 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2roq h ALA 262 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2roq h ALA 262 CO 0.07 0.46 0.00 1.55 0.00 0.00 0.00 179.25 181.33 2roq n VAL 263 N -4.21 0.34 0.02 0.00 3.14 -0.80 -1.69 118.33 115.13 2roq n VAL 263 Ca -0.05 0.05 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 2roq n VAL 263 Cb 0.55 -0.66 -0.12 0.00 -1.06 0.00 0.00 33.84 32.55 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 -1.58 0.52 0.00 1.45 0.63 -0.29 -4.40 116.66 113.00 2roq n ARG 264 Ca 0.06 -0.14 0.10 0.00 -0.92 0.00 0.00 57.85 56.96 2roq n ARG 264 Cb 0.30 -1.36 -0.07 0.00 0.45 0.00 0.00 32.46 31.78 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 -2.01 0.90 0.08 6.15 -0.00 0.97 -4.17 117.00 118.92 2roq n LEU 265 Ca -0.03 -0.41 0.08 0.00 -0.00 0.00 0.00 56.01 55.65 2roq n LEU 265 Cb 0.39 -0.03 0.36 0.00 -0.00 0.00 0.00 43.42 44.14 2roq n LEU 265 CO 0.32 0.22 0.73 0.00 -0.00 0.00 0.00 177.39 178.67 2roq n LEU 266 N -1.53 0.34 -0.02 1.47 -0.00 -0.68 -0.93 117.00 115.65 2roq n LEU 266 Ca 0.04 0.63 -0.10 0.00 -0.00 0.00 0.00 56.01 56.58 2roq n LEU 266 Cb 0.34 -0.63 -0.14 0.00 -0.00 0.00 0.00 43.42 42.99 2roq n LEU 266 CO 0.42 -0.62 -0.56 1.07 -0.00 0.00 0.00 177.39 177.70 2roq n THR 267 N -1.92 1.63 0.00 1.47 5.66 -1.26 -4.20 114.28 115.65 2roq n THR 267 Ca 0.01 -0.78 -0.09 0.00 -3.05 0.00 0.00 64.05 60.13 2roq n THR 267 Cb 0.09 -1.10 -0.14 0.00 -1.55 0.00 0.00 70.33 67.64 2roq n THR 267 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roq h THR 268 N 0.01 1.07 -2.32 1.09 1.03 -1.54 -3.47 112.91 108.77 2roq h THR 268 Ca -0.30 -2.88 -0.21 0.00 -0.01 0.00 0.00 66.41 63.02 2roq h THR 268 Cb 2.02 2.54 0.11 0.00 -1.07 0.00 0.00 68.15 71.75 2roq h THR 268 CO 0.08 0.63 0.00 0.00 -0.01 0.00 0.00 175.52 176.22 2roq n ALA 269 N -2.52 -2.24 -2.71 0.00 0.00 -0.10 -5.04 120.51 107.90 2roq n ALA 269 Ca -0.13 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.23 2roq n ALA 269 Cb 1.02 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 20.40 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 -1.88 3.40 -0.30 0.00 3.76 -1.26 -5.00 115.29 114.01 2roq s HIS 270 Ca 0.37 0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 55.23 2roq s HIS 270 Cb -0.05 -1.83 0.20 0.00 1.11 0.00 0.00 32.58 32.01 2roq s HIS 270 CO 0.30 0.17 1.26 -1.54 -0.85 0.00 0.00 174.74 174.08 2roq s SER 271 N -4.05 -0.10 -0.13 1.40 1.04 -1.26 -4.76 113.70 105.83 2roq s SER 271 Ca 0.39 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 2roq s SER 271 Cb -0.09 0.93 0.05 0.00 0.10 0.00 0.00 66.02 67.00 2roq s SER 271 CO 0.33 -0.02 0.33 0.54 0.98 0.00 0.00 173.24 175.39 2roq s VAL 272 N 0.93 -0.02 0.53 5.02 0.11 -1.26 -4.86 120.40 120.85 2roq s VAL 272 Ca -0.06 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.87 2roq s VAL 272 Cb -0.03 -0.49 -0.06 0.00 -1.53 0.00 0.00 36.38 34.28 2roq s VAL 272 CO -0.11 0.03 1.14 -2.16 -3.33 0.00 0.00 175.10 170.67 2roq s PRO 273 N 0.97 3.44 0.25 1.54 0.04 -1.26 -3.14 135.00 136.82 2roq s PRO 273 Ca -0.06 1.65 0.11 0.00 0.04 0.00 0.00 61.00 62.73 2roq s PRO 273 Cb -0.07 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2roq s PRO 273 CO -0.07 -0.79 -0.15 -0.59 0.04 0.00 0.00 177.00 175.44 2roq s PHE 274 N -1.72 2.43 -1.11 0.56 -0.71 -1.26 -4.84 117.98 111.32 2roq s PHE 274 Ca 0.71 -0.30 -0.10 0.00 -1.04 0.00 0.00 56.93 56.20 2roq s PHE 274 Cb -0.25 -1.11 0.27 0.00 -1.21 0.00 0.00 43.02 40.72 2roq s PHE 274 CO 0.28 0.62 1.12 -0.51 -1.34 0.00 0.00 175.22 175.40 2roq s ASP 275 N -3.27 7.28 0.00 1.98 1.01 -1.26 -4.84 116.67 117.56 2roq s ASP 275 Ca 0.28 -3.50 0.00 0.00 0.71 0.00 0.00 52.55 50.04 2roq s ASP 275 Cb -0.06 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.64 2roq s ASP 275 CO 0.15 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2roq n GLY 276 N 2.89 4.82 2.97 0.21 0.00 -1.26 -5.04 105.19 109.78 2roq n GLY 276 Ca 0.24 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 2.78 1.63 0.18 1.61 2.20 -1.26 -3.57 119.74 123.31 2roq s LYS 277 Ca 0.00 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.07 2roq s LYS 277 Cb 0.00 -1.50 0.05 0.00 -1.51 0.00 0.00 37.83 34.87 2roq s LYS 277 CO 0.00 -0.12 0.56 0.00 -0.36 0.00 0.00 175.35 175.44 2roq s ALA 278 N 1.17 -1.27 -0.01 3.13 0.00 -1.22 -3.40 121.76 120.15 2roq s ALA 278 Ca -0.05 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 2roq s ALA 278 Cb -0.14 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 2roq s ALA 278 CO -0.02 -0.80 0.42 -0.08 0.00 0.00 0.00 175.76 175.28 2roq s THR 279 N -3.81 5.04 -0.19 0.00 -1.32 -0.92 -3.45 115.64 110.98 2roq s THR 279 Ca 0.05 0.86 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 2roq s THR 279 Cb -0.01 -3.73 0.05 0.00 -1.51 0.00 0.00 72.50 67.30 2roq s THR 279 CO -0.07 0.55 -0.07 -0.22 -2.21 0.00 0.00 174.62 172.60 2roq s LEU 280 N -0.87 2.05 0.19 9.08 2.96 -1.23 -1.96 118.68 128.89 2roq s LEU 280 Ca 0.24 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 53.18 2roq s LEU 280 Cb -0.17 -1.08 -0.07 0.00 0.50 0.00 0.00 46.19 45.38 2roq s LEU 280 CO 0.13 -0.19 0.53 -0.36 -1.32 0.00 0.00 176.35 175.15 2roq s PHE 281 N 1.50 3.49 0.03 5.38 0.08 -0.56 -3.22 117.98 124.68 2roq s PHE 281 Ca -0.01 0.92 0.08 0.00 0.12 0.00 0.00 56.93 58.04 2roq s PHE 281 Cb -0.16 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2roq s PHE 281 CO -0.08 0.34 -0.24 0.14 -0.10 0.00 0.00 175.22 175.29 2roq s VAL 282 N -1.67 2.30 -1.01 -0.44 -7.23 -1.18 -1.50 120.40 109.67 2roq s VAL 282 Ca 0.43 -1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 59.20 2roq s VAL 282 Cb -0.13 -1.89 0.19 0.00 0.56 0.00 0.00 36.38 35.11 2roq s VAL 282 CO 0.20 0.41 1.11 0.00 -0.31 0.00 0.00 175.10 176.51 2roq s ALA 283 N -0.79 4.00 0.31 1.32 0.00 -1.26 -3.65 121.76 121.69 2roq s ALA 283 Ca 0.12 -3.28 0.03 0.00 0.00 0.00 0.00 51.96 48.83 2roq s ALA 283 Cb -0.10 -3.83 0.53 0.00 0.00 0.00 0.00 23.12 19.71 2roq s ALA 283 CO 0.02 -2.59 1.83 1.49 0.00 0.00 0.00 175.76 176.52 2roq h GLU 284 N 7.70 0.57 0.00 0.00 4.81 -1.61 0.12 114.58 126.17 2roq h GLU 284 Ca 0.19 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2roq h GLU 284 Cb 0.96 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2roq h GLU 284 CO 1.03 0.62 0.00 2.89 -0.73 0.00 0.00 179.01 182.82 2roq n ARG 285 N -4.25 0.16 -0.70 1.92 -4.01 -1.26 -2.45 116.66 106.07 2roq n ARG 285 Ca 0.01 0.44 0.05 0.00 -1.04 0.00 0.00 57.85 57.31 2roq n ARG 285 Cb 0.28 -1.83 0.09 0.00 -3.04 0.00 0.00 32.46 27.96 2roq n ARG 285 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 2roq n THR 286 N -2.14 1.00 -1.59 8.89 -1.04 -0.61 -4.95 114.28 113.84 2roq n THR 286 Ca 0.02 -1.63 -0.50 0.00 -2.04 0.00 0.00 64.05 59.89 2roq n THR 286 Cb 0.19 0.28 -0.05 0.00 -1.82 0.00 0.00 70.33 68.92 2roq n THR 286 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n LEU 287 N -0.48 1.63 -4.86 -4.42 -0.00 -0.07 -4.97 117.00 103.84 2roq n LEU 287 Ca 0.10 1.13 -0.21 0.00 -0.00 0.00 0.00 56.01 57.03 2roq n LEU 287 Cb 0.81 -1.21 -0.04 0.00 -0.00 0.00 0.00 43.42 42.98 2roq n LEU 287 CO -0.02 -1.14 -0.04 0.00 -0.00 0.00 0.00 177.39 176.20 2roq s GLN 288 N 0.11 2.56 -0.45 1.47 -2.07 -1.26 -5.02 119.66 115.00 2roq s GLN 288 Ca 0.79 -1.49 -0.02 0.00 -1.82 0.00 0.00 55.36 52.82 2roq s GLN 288 Cb -0.90 -2.37 0.20 0.00 -1.09 0.00 0.00 33.01 28.85 2roq s GLN 288 CO 0.49 -0.10 2.30 -1.91 -1.32 0.00 0.00 175.29 174.74 2roq n GLU 289 N -1.47 2.20 -0.01 9.60 2.13 -1.26 -4.07 120.64 127.76 2roq n GLU 289 Ca 0.02 -2.21 0.02 0.00 0.66 0.00 0.00 57.16 55.65 2roq n GLU 289 Cb 0.61 -1.94 -0.04 0.00 0.27 0.00 0.00 31.44 30.34 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 0.31 -0.23 3.68 8.31 0.00 -1.26 -5.00 105.19 111.00 2roq n GLY 290 Ca 0.43 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2roq n GLY 290 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2roq s MET 291 N -2.31 4.17 -0.56 1.61 1.75 -1.26 -4.92 119.30 117.78 2roq s MET 291 Ca -0.02 2.45 0.07 0.00 -1.25 0.00 0.00 55.69 56.94 2roq s MET 291 Cb 0.03 -3.74 0.25 0.00 2.84 0.00 0.00 34.83 34.20 2roq s MET 291 CO 0.21 -0.82 0.67 0.45 -0.65 0.00 0.00 175.02 174.88 2roq n SER 292 N 6.15 2.63 -2.60 1.11 2.88 -1.26 -5.10 113.62 117.44 2roq n SER 292 Ca 0.17 -3.21 -0.02 0.00 -1.33 0.00 0.00 58.87 54.48 2roq n SER 292 Cb 0.40 -0.66 0.02 0.00 -0.75 0.00 0.00 64.21 63.22 2roq n SER 292 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2roq n PRO 293 N 1.03 -1.20 -0.59 -1.46 -0.04 -1.26 -4.92 135.00 126.56 2roq n PRO 293 Ca 0.27 -0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2roq n PRO 293 Cb 0.45 -0.13 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 2roq n PRO 293 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2roq n GLU 294 N -1.78 -1.20 -1.25 0.54 -0.58 -1.26 -5.02 120.64 110.09 2roq n GLU 294 Ca 0.01 0.79 0.15 0.00 -0.42 0.00 0.00 57.16 57.69 2roq n GLU 294 Cb 0.05 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.38 2roq n GLU 294 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2roq n ARG 295 N -2.68 -2.85 -3.82 3.49 3.00 -1.26 -4.80 116.66 107.74 2roq n ARG 295 Ca 0.00 2.29 -0.36 0.00 -0.00 0.00 0.00 57.85 59.79 2roq n ARG 295 Cb 0.27 -3.35 -0.12 0.00 0.00 0.00 0.00 32.46 29.26 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 -3.87 3.04 -0.11 5.13 0.00 -1.26 -5.05 121.76 119.63 2roq s ALA 296 Ca 0.00 -2.22 -0.33 0.00 0.00 0.00 0.00 51.96 49.41 2roq s ALA 296 Cb 0.00 -2.25 0.13 0.00 0.00 0.00 0.00 23.12 21.00 2roq s ALA 296 CO 0.00 -1.59 1.18 1.67 0.00 0.00 0.00 175.76 177.02 2roq s TRP 297 N 1.20 -0.13 -0.52 0.00 1.48 -1.26 -5.07 118.94 114.64 2roq s TRP 297 Ca 0.03 0.05 -0.05 0.00 -1.06 0.00 0.00 56.10 55.07 2roq s TRP 297 Cb -0.21 0.53 0.01 0.00 -1.16 0.00 0.00 33.47 32.63 2roq s TRP 297 CO -0.03 -0.29 0.56 0.43 -4.06 0.00 0.00 176.95 173.56 2roq n SER 298 N -0.22 -6.95 -4.55 -2.66 7.64 -1.26 -4.86 113.62 100.75 2roq n SER 298 Ca -0.03 0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 2roq n SER 298 Cb 0.60 -4.67 -0.04 0.00 -1.01 0.00 0.00 64.21 59.09 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 -2.75 2.59 0.00 1.43 0.04 -1.26 -4.88 135.00 130.18 2roq s PRO 299 Ca 0.08 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2roq s PRO 299 Cb -0.02 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.85 2roq s PRO 299 CO 0.64 -3.01 0.00 1.87 0.04 0.00 0.00 177.00 176.54 2roq n TRP 300 N 13.28 -0.46 -2.03 0.56 -0.00 -1.26 -5.11 117.44 122.42 2roq n TRP 300 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 2roq n TRP 300 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 2roq n TRP 300 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 2roq n ILE 301 N 0.00-10.86 -0.05 5.87 -0.00 -1.26 -5.01 119.36 108.04 2roq n ILE 301 Ca 0.00 2.46 -0.03 0.00 -0.00 0.00 0.00 62.75 65.18 2roq n ILE 301 Cb 0.00 -5.40 -0.01 0.00 -0.00 0.00 0.00 39.64 34.23 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2roq h ALA 302 N 3.29 0.00 -1.81 -1.39 0.00 -1.88 -3.49 119.26 113.97 2roq h ALA 302 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2roq h ALA 302 Cb 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 17.79 17.89 2roq h ALA 302 CO 0.00 0.32 0.10 -2.00 0.00 0.00 0.00 179.25 177.67 2roq s GLU 303 N -1.87 0.58 0.26 0.00 2.12 -1.23 -5.08 118.70 113.47 2roq s GLU 303 Ca -0.09 1.09 -0.21 0.00 0.36 0.00 0.00 54.97 56.12 2roq s GLU 303 Cb 0.01 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.70 2roq s GLU 303 CO 0.14 -0.14 0.69 -0.48 -0.54 0.00 0.00 175.26 174.93 2roq s LEU 304 N 1.84 -0.26 -0.41 2.70 0.05 -1.26 -3.46 118.68 117.88 2roq s LEU 304 Ca -0.09 -0.55 0.04 0.00 0.05 0.00 0.00 54.13 53.58 2roq s LEU 304 Cb -0.06 2.65 0.11 0.00 -2.05 0.00 0.00 46.19 46.84 2roq s LEU 304 CO -0.18 -1.29 0.14 -0.62 -0.55 0.00 0.00 176.35 173.85 2roq s ASP 305 N -2.90 4.50 0.17 1.48 -1.08 -1.22 -5.02 116.67 112.60 2roq s ASP 305 Ca 0.10 -2.50 -0.28 0.00 -0.52 0.00 0.00 52.55 49.35 2roq s ASP 305 Cb -0.05 -1.57 -0.08 0.00 -1.46 0.00 0.00 42.92 39.76 2roq s ASP 305 CO 0.04 -0.32 0.87 0.27 0.52 0.00 0.00 175.17 176.56 2roq s ILE 306 N 0.43 4.31 -0.10 4.11 -4.36 -1.26 -3.55 121.20 120.78 2roq s ILE 306 Ca 0.14 1.91 0.01 0.00 -0.26 0.00 0.00 60.65 62.44 2roq s ILE 306 Cb -0.22 -4.24 0.02 0.00 1.25 0.00 0.00 42.46 39.27 2roq s ILE 306 CO -0.05 0.47 -0.10 -0.31 0.24 0.00 0.00 174.94 175.19 2roq s TYR 307 N -0.86 1.50 -0.31 1.37 2.02 -1.20 -5.02 117.35 114.85 2roq s TYR 307 Ca 0.40 -0.69 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 2roq s TYR 307 Cb -0.24 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2roq s TYR 307 CO 0.29 -0.43 0.88 -0.98 -1.57 0.00 0.00 175.55 173.74 2roq s ARG 308 N 1.30 3.99 -0.11 -0.62 1.70 -1.26 -3.13 118.95 120.82 2roq s ARG 308 Ca -0.02 0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 55.87 2roq s ARG 308 Cb -0.14 -3.73 0.03 0.00 -0.57 0.00 0.00 34.95 30.54 2roq s ARG 308 CO -0.04 -0.76 0.31 1.14 -1.08 0.00 0.00 175.30 174.87 2roq s GLN 309 N 3.18 0.37 -0.82 3.89 -2.07 -1.24 -5.02 119.66 117.95 2roq s GLN 309 Ca 0.37 0.41 -0.25 0.00 -1.82 0.00 0.00 55.36 54.06 2roq s GLN 309 Cb -0.13 0.18 -0.01 0.00 -1.09 0.00 0.00 33.01 31.96 2roq s GLN 309 CO 0.13 -0.05 1.71 0.16 -1.32 0.00 0.00 175.29 175.93 2roq s ASP 310 N 0.12 5.63 0.20 12.60 -4.77 -1.26 -2.17 116.67 127.03 2roq s ASP 310 Ca -0.00 -0.52 -0.12 0.00 -3.30 0.00 0.00 52.55 48.61 2roq s ASP 310 Cb -0.02 -2.55 -0.00 0.00 -1.09 0.00 0.00 42.92 39.25 2roq s ASP 310 CO 0.01 -2.23 0.40 0.00 0.70 0.00 0.00 175.17 174.04 2roq s ALA 312 N -3.98 2.19 0.58 0.00 0.00 -1.26 -4.16 121.76 115.12 2roq s ALA 312 Ca 0.19 -1.19 0.28 0.00 0.00 0.00 0.00 51.96 51.24 2roq s ALA 312 Cb 0.01 -0.50 1.51 0.00 0.00 0.00 0.00 23.12 24.14 2roq s ALA 312 CO 0.04 0.52 1.96 1.12 0.00 0.00 0.00 175.76 179.41 2roq h HIS 313 N 5.10 0.00 0.00 0.00 2.07 -1.90 0.40 115.15 120.82 2roq h HIS 313 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2roq h HIS 313 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2roq h HIS 313 CO 0.44 0.00 -1.52 1.33 -3.07 0.00 0.00 177.93 175.11 2roq n VAL 314 N -3.86 0.00 -1.30 6.12 0.24 -1.26 -4.19 118.33 114.08 2roq n VAL 314 Ca 0.07 -0.27 0.01 0.00 -2.04 0.00 0.00 64.34 62.11 2roq n VAL 314 Cb 0.58 0.47 0.21 0.00 -1.47 0.00 0.00 33.84 33.63 2roq n VAL 314 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roq n ASP 315 N -1.90 2.81 -0.00 -1.34 2.03 0.83 -4.47 116.55 114.52 2roq n ASP 315 Ca -0.00 -3.51 0.05 0.00 0.52 0.00 0.00 54.79 51.85 2roq n ASP 315 Cb 0.45 -0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 40.19 2roq n ASP 315 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roq n ILE 316 N -0.98 0.00 0.37 5.18 3.06 0.10 -4.32 119.36 122.76 2roq n ILE 316 Ca 0.28 -0.25 0.12 0.00 -2.50 0.00 0.00 62.75 60.39 2roq n ILE 316 Cb 0.94 0.72 0.07 0.00 0.54 0.00 0.00 39.64 41.92 2roq n ILE 316 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 2roq h ILE 317 N 0.00 0.00 -3.69 9.51 6.09 -1.82 -3.40 117.51 124.19 2roq h ILE 317 Ca 0.00 -0.71 -0.50 0.00 -1.37 0.00 0.00 64.86 62.28 2roq h ILE 317 Cb 0.35 1.21 0.21 0.00 0.47 0.00 0.00 36.82 39.06 2roq h ILE 317 CO 0.00 0.00 -0.15 -1.54 -3.07 0.00 0.00 178.15 173.39 2roq n SER 318 N -2.34 -0.92 0.00 2.19 3.41 -1.26 -4.85 113.62 109.85 2roq n SER 318 Ca 0.02 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.95 2roq n SER 318 Cb 0.49 -1.32 0.36 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 -3.47 0.19 -0.08 4.33 -0.04 -1.26 -3.17 135.00 131.49 2roq n PRO 319 Ca 0.08 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 2roq n PRO 319 Cb 0.54 -1.50 -0.11 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 2.44 0.00 1.43 0.55 0.00 -1.94 -3.22 103.07 102.32 2roq h GLY 320 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2roq h GLY 320 CO 0.00 0.00 0.08 -0.84 0.00 0.00 0.00 176.54 175.78 2roq h THR 321 N -1.00 1.21 -0.27 4.70 2.02 -1.82 -2.02 112.91 115.73 2roq h THR 321 Ca -0.12 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 2roq h THR 321 Cb 1.01 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2roq h THR 321 CO -0.07 0.29 -0.05 -0.26 0.37 0.00 0.00 175.52 175.79 2roq h PHE 322 N 0.69 0.44 0.00 3.16 -1.00 -1.70 -1.56 116.94 116.97 2roq h PHE 322 Ca 0.15 -0.05 -0.19 0.00 2.81 0.00 0.00 57.97 60.70 2roq h PHE 322 Cb 0.31 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 2roq h PHE 322 CO 0.02 0.48 -0.87 0.93 -1.61 0.00 0.00 178.31 177.26 2roq h GLU 323 N 0.41 0.04 -0.19 1.51 5.08 -1.44 -3.28 114.58 116.70 2roq h GLU 323 Ca 0.09 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2roq h GLU 323 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2roq h GLU 323 CO 0.02 0.88 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.35 2roq h LYS 324 N 0.02 0.57 -2.51 2.33 3.64 -0.89 -3.31 116.57 116.41 2roq h LYS 324 Ca -0.02 -0.35 -0.80 0.00 -1.27 0.00 0.00 60.65 58.21 2roq h LYS 324 Cb 1.53 0.04 -0.25 0.00 -0.41 0.00 0.00 32.23 33.15 2roq h LYS 324 CO 0.12 0.96 1.22 0.44 -2.27 0.00 0.00 179.45 179.92 2roq n ILE 325 N -4.31 5.74 -0.00 2.00 -5.35 -0.63 -4.73 119.36 112.08 2roq n ILE 325 Ca -0.06 -5.68 -0.00 0.00 -0.27 0.00 0.00 62.75 56.74 2roq n ILE 325 Cb 0.50 -1.78 -0.00 0.00 -1.74 0.00 0.00 39.64 36.61 2roq n ILE 325 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2roq n GLY 326 N 0.64 -0.54 0.00 3.28 0.00 -1.25 -3.69 105.19 103.63 2roq n GLY 326 Ca 0.44 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.35 0.15 -0.03 1.61 -0.04 -1.26 -1.35 135.00 131.73 2roq n PRO 327 Ca -0.00 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2roq n PRO 327 Cb 0.01 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 2roq n PRO 327 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2roq n ILE 328 N -1.35 1.30 -0.05 0.52 -6.64 -1.26 -3.29 119.36 108.59 2roq n ILE 328 Ca 0.06 -0.76 -0.12 0.00 -1.77 0.00 0.00 62.75 60.15 2roq n ILE 328 Cb 0.13 -0.69 -0.14 0.00 -1.44 0.00 0.00 39.64 37.50 2roq n ILE 328 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2roq n ILE 329 N -2.85 1.57 0.09 7.28 3.06 -0.99 -3.11 119.36 124.41 2roq n ILE 329 Ca -0.19 -0.76 -0.06 0.00 -2.50 0.00 0.00 62.75 59.24 2roq n ILE 329 Cb 0.99 -1.06 -0.02 0.00 0.54 0.00 0.00 39.64 40.09 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 0.01 0.05 0.19 9.51 0.11 -1.41 -2.14 114.38 120.70 2roq h ARG 330 Ca -0.41 -0.06 -0.31 0.00 0.10 0.00 0.00 59.98 59.30 2roq h ARG 330 Cb 2.07 0.02 0.02 0.00 1.11 0.00 0.00 29.97 33.19 2roq h ARG 330 CO 0.05 0.89 -1.44 0.00 0.10 0.00 0.00 179.97 179.58 2roq h ALA 331 N 1.09 0.01 -0.09 0.08 0.00 -1.72 -2.09 119.26 116.52 2roq h ALA 331 Ca -0.02 -0.93 -0.16 0.00 0.00 0.00 0.00 54.91 53.80 2roq h ALA 331 Cb 1.54 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2roq h ALA 331 CO 0.12 0.88 -0.65 0.00 0.00 0.00 0.00 179.25 179.60 2roq h THR 332 N 0.11 1.37 0.00 0.00 1.03 -1.61 -1.64 112.91 112.17 2roq h THR 332 Ca -0.22 -2.02 -0.21 0.00 -0.01 0.00 0.00 66.41 63.94 2roq h THR 332 Cb 2.08 2.01 -0.03 0.00 -1.07 0.00 0.00 68.15 71.14 2roq h THR 332 CO 0.23 0.61 -1.04 -0.07 -0.01 0.00 0.00 175.52 175.23 2roq h LEU 333 N 0.26 0.00 0.00 0.00 3.38 -1.49 -2.13 115.31 115.33 2roq h LEU 333 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2roq h LEU 333 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2roq h LEU 333 CO 0.11 0.99 -0.12 -1.13 0.09 0.00 0.00 178.44 178.37 2roq h ASN 334 N 0.00 0.00 0.18 -0.43 -1.24 -1.34 -2.14 115.58 110.62 2roq h ASN 334 Ca -0.03 -0.03 -0.35 0.00 0.71 0.00 0.00 56.30 56.61 2roq h ASN 334 Cb 1.78 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.77 2roq h ASN 334 CO 0.12 0.01 -2.12 -2.11 -1.29 0.00 0.00 177.43 172.05 2roq n ARG 335 N -2.50 0.67 0.13 6.67 1.85 -0.62 -3.75 116.66 119.11 2roq n ARG 335 Ca 0.05 0.16 0.06 0.00 -1.00 0.00 0.00 57.85 57.11 2roq n ARG 335 Cb 0.47 -1.64 0.04 0.00 -1.05 0.00 0.00 32.46 30.27 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 0.01 0.00 -0.04 2.89 8.10 -1.45 -3.29 115.31 121.53 2roq h LEU 336 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.39 2roq h LEU 336 Cb 2.09 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.29 2roq h LEU 336 CO 0.04 0.29 -0.72 1.05 -4.11 0.00 0.00 178.44 174.98 2roq h GLU 337 N 0.00 0.00 -2.88 0.17 4.11 -1.56 -3.47 114.58 110.95 2roq h GLU 337 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.31 2roq h GLU 337 Cb 1.25 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 2roq h GLU 337 CO 0.03 0.72 -0.12 -1.58 0.07 0.00 0.00 179.01 178.13 2roq s HIS 338 N -2.88 -0.29 0.46 2.06 2.46 -1.24 -5.09 115.29 110.78 2roq s HIS 338 Ca 0.02 0.37 0.04 0.00 0.47 0.00 0.00 55.06 55.97 2roq s HIS 338 Cb 0.09 0.20 0.04 0.00 -0.13 0.00 0.00 32.58 32.79 2roq s HIS 338 CO 0.78 -0.51 0.37 1.58 -2.47 0.00 0.00 174.74 174.49 2roq n HIS 339 N 0.83 -0.88 -1.28 3.88 -0.00 -1.26 -4.37 115.22 112.14 2roq n HIS 339 Ca -0.20 -1.94 0.16 0.00 0.46 0.00 0.00 57.72 56.21 2roq n HIS 339 Cb 0.58 -0.38 -0.06 0.00 -0.12 0.00 0.00 29.99 30.01 2roq n HIS 339 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2roq n HIS 340 N -1.62 -3.32 -2.50 1.57 8.25 -1.26 -5.01 115.22 111.32 2roq n HIS 340 Ca -0.00 1.74 -0.02 0.00 -0.26 0.00 0.00 57.72 59.17 2roq n HIS 340 Cb 0.52 -3.02 -0.02 0.00 1.12 0.00 0.00 29.99 28.59 2roq n HIS 340 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2roq n HIS 341 N -4.10 -3.67 -2.58 4.41 -0.00 -1.26 -5.03 115.22 102.99 2roq n HIS 341 Ca -0.03 1.87 -0.24 0.00 -0.00 0.00 0.00 57.72 59.32 2roq n HIS 341 Cb 0.60 -3.65 0.04 0.00 -0.00 0.00 0.00 29.99 26.97 2roq n HIS 341 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2roq s HIS 342 N -1.03 3.04 0.00 1.57 0.09 -1.26 -5.13 115.29 112.57 2roq s HIS 342 Ca -0.12 0.29 0.00 0.00 -0.00 0.00 0.00 55.06 55.23 2roq s HIS 342 Cb 0.01 -2.74 0.00 0.00 -0.00 0.00 0.00 32.58 29.85 2roq s HIS 342 CO 0.69 -0.85 0.00 0.72 -0.00 0.00 0.00 174.74 175.29