#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roq s LEU 2 N 0.00 4.26 1.22 4.03 1.43 -1.26 -5.11 118.68 123.25 2roq s LEU 2 Ca 0.00 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 2roq s LEU 2 Cb 0.00 -2.85 0.30 0.00 0.03 0.00 0.00 46.19 43.66 2roq s LEU 2 CO 0.00 -0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.40 2roq s PRO 3 N -4.02 -1.40 -0.17 1.29 0.04 -1.26 -5.06 135.00 124.43 2roq s PRO 3 Ca 0.36 -0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.28 2roq s PRO 3 Cb -0.09 -1.58 0.03 0.00 0.04 0.00 0.00 34.50 32.90 2roq s PRO 3 CO 0.29 -3.82 -0.15 -1.21 0.04 0.00 0.00 177.00 172.16 2roq s GLU 4 N -5.45 2.41 -0.06 4.56 0.41 -1.26 -5.09 118.70 114.22 2roq s GLU 4 Ca 0.71 -0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 54.24 2roq s GLU 4 Cb -0.09 -2.34 -0.07 0.00 -1.78 0.00 0.00 34.13 29.86 2roq s GLU 4 CO 0.56 -0.29 1.87 -0.51 -0.49 0.00 0.00 175.26 176.40 2roq s LEU 5 N 1.40 4.19 -1.23 1.80 1.43 -1.26 -4.90 118.68 120.10 2roq s LEU 5 Ca 0.03 2.30 -0.08 0.00 -1.03 0.00 0.00 54.13 55.34 2roq s LEU 5 Cb -0.14 -3.53 0.20 0.00 0.03 0.00 0.00 46.19 42.75 2roq s LEU 5 CO -0.10 -1.18 1.74 2.29 0.23 0.00 0.00 176.35 179.33 2roq n LYS 6 N 7.63 3.80 -0.62 1.70 0.00 -1.26 -4.72 118.16 124.68 2roq n LYS 6 Ca 0.20 -3.80 0.05 0.00 -0.00 0.00 0.00 58.31 54.77 2roq n LYS 6 Cb 0.43 -2.83 0.28 0.00 -0.00 0.00 0.00 35.03 32.90 2roq n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 7 N 3.40 3.47 -2.98 0.58 0.00 -1.26 -4.96 120.51 118.76 2roq n ALA 7 Ca 0.36 -1.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 2roq n ALA 7 Cb 0.36 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.73 2roq n ALA 7 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 8 N 0.43 -2.38 -2.65 0.00 7.27 -1.26 -4.31 117.38 114.48 2roq n GLN 8 Ca 0.19 2.03 -0.07 0.00 0.07 0.00 0.00 57.00 59.23 2roq n GLN 8 Cb 0.91 -4.66 0.03 0.00 2.41 0.00 0.00 30.24 28.93 2roq n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2roq n ALA 9 N -0.01 -1.97 0.57 1.69 0.00 -1.26 -4.90 120.51 114.62 2roq n ALA 9 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2roq n ALA 9 Cb 0.43 -3.05 0.33 0.00 0.00 0.00 0.00 19.45 17.16 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 -2.28 0.08 -3.35 0.00 -0.04 -1.26 -4.88 135.00 123.28 2roq n PRO 10 Ca -0.03 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2roq n PRO 10 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.23 3.33 0.55 0.00 -1.26 -5.02 105.19 101.51 2roq n GLY 11 Ca 0.05 0.58 -0.17 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.73 1.28 -0.39 1.61 1.70 -1.26 -4.86 118.95 113.31 2roq s ARG 12 Ca 0.02 -1.59 -0.28 0.00 -0.47 0.00 0.00 55.73 53.40 2roq s ARG 12 Cb -0.00 -0.88 0.02 0.00 -0.57 0.00 0.00 34.95 33.52 2roq s ARG 12 CO 0.81 0.08 1.06 0.00 -1.08 0.00 0.00 175.30 176.17 2roq s ALA 13 N -3.17 3.36 1.08 7.88 0.00 -1.26 -3.68 121.76 125.96 2roq s ALA 13 Ca 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 2roq s ALA 13 Cb 0.02 -3.72 0.09 0.00 0.00 0.00 0.00 23.12 19.51 2roq s ALA 13 CO 0.06 -1.79 0.34 -0.35 0.00 0.00 0.00 175.76 174.02 2roq n PRO 14 N 7.19 -1.69 0.00 0.00 -0.04 -1.26 -5.01 135.00 134.19 2roq n PRO 14 Ca 0.11 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 2roq n PRO 14 Cb 0.48 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 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 -2.55 0.00 -0.04 0.54 3.00 -1.26 -4.95 118.16 112.90 2roq n LYS 15 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.46 2roq n LYS 15 Cb 0.18 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.32 2roq n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2roq n ALA 16 N -0.72 2.44 -2.01 3.14 0.00 -1.26 -4.72 120.51 117.38 2roq n ALA 16 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 53.44 52.43 2roq n ALA 16 Cb 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 18.81 2roq n ALA 16 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2roq s GLY 17 N -1.55 1.63 0.39 0.00 0.00 -1.26 -4.94 107.32 101.59 2roq s GLY 17 Ca 0.26 -0.72 0.28 0.00 0.00 0.00 0.00 44.72 44.53 2roq s GLY 17 CO 0.25 -0.39 1.84 1.76 0.00 0.00 0.00 173.10 176.56 2roq h SER 18 N -0.37 0.00 1.17 1.64 0.02 -1.94 -1.04 113.55 113.03 2roq h SER 18 Ca -0.45 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 2roq h SER 18 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2roq h SER 18 CO 0.61 0.00 -0.43 -0.33 -1.14 0.00 0.00 176.83 175.54 2roq h GLU 19 N 0.00 0.00 0.37 3.45 3.07 -1.90 -3.31 114.58 116.25 2roq h GLU 19 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2roq h GLU 19 Cb 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 2roq h GLU 19 CO 0.00 0.43 -0.40 1.15 -1.40 0.00 0.00 179.01 178.79 2roq h THR 20 N 0.00 0.20 -0.58 1.13 2.02 -1.47 -1.21 112.91 113.00 2roq h THR 20 Ca -0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.34 2roq h THR 20 Cb 1.13 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2roq h THR 20 CO 0.06 0.00 0.48 0.16 0.37 0.00 0.00 175.52 176.59 2roq h ILE 21 N -0.79 0.53 0.09 3.11 3.07 -1.72 -0.35 117.51 121.44 2roq h ILE 21 Ca -0.03 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.38 2roq h ILE 21 Cb 0.72 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 2roq h ILE 21 CO -0.08 0.00 -0.04 0.40 -1.05 0.00 0.00 178.15 177.37 2roq h ILE 22 N 0.00 1.14 -0.42 0.16 1.08 -1.36 0.34 117.51 118.45 2roq h ILE 22 Ca 0.28 -0.95 -0.07 0.00 -0.39 0.00 0.00 64.86 63.73 2roq h ILE 22 Cb 1.23 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 2roq h ILE 22 CO -0.00 0.23 -0.01 0.00 -0.69 0.00 0.00 178.15 177.67 2roq h ALA 23 N 0.27 1.19 -0.13 1.87 0.00 -0.54 0.19 119.26 122.12 2roq h ALA 23 Ca -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2roq h ALA 23 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2roq h ALA 23 CO 0.02 0.53 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 2roq h ALA 24 N 1.34 0.20 -0.29 0.00 0.00 -1.12 -2.20 119.26 117.20 2roq h ALA 24 Ca 0.13 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2roq h ALA 24 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2roq h ALA 24 CO 0.02 0.10 -0.39 0.00 0.00 0.00 0.00 179.25 178.98 2roq h ALA 25 N 0.58 0.78 -0.01 0.00 0.00 -0.80 0.35 119.26 120.15 2roq h ALA 25 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2roq h ALA 25 Cb 0.71 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2roq h ALA 25 CO 0.04 0.65 0.01 0.74 0.00 0.00 0.00 179.25 180.69 2roq h PHE 26 N 0.55 0.02 0.00 0.00 -1.00 -0.64 0.27 116.94 116.14 2roq h PHE 26 Ca 0.05 -0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.70 2roq h PHE 26 Cb 0.92 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.46 2roq h PHE 26 CO 0.04 0.15 -0.61 1.03 -1.61 0.00 0.00 178.31 177.31 2roq h SER 27 N -0.12 0.00 -0.01 2.17 0.87 -1.40 0.25 113.55 115.31 2roq h SER 27 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2roq h SER 27 Cb 0.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2roq h SER 27 CO -0.00 0.61 -0.77 -1.28 -0.53 0.00 0.00 176.83 174.86 2roq h SER 28 N 0.00 0.80 0.00 6.23 0.87 -0.72 0.90 113.55 121.62 2roq h SER 28 Ca -0.01 -0.53 -0.07 0.00 -1.23 0.00 0.00 61.79 59.95 2roq h SER 28 Cb 1.12 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2roq h SER 28 CO 0.08 1.31 -0.45 -0.07 -0.53 0.00 0.00 176.83 177.17 2roq h LEU 29 N 0.45 0.00 0.00 2.23 3.38 -0.43 -3.32 115.31 117.62 2roq h LEU 29 Ca -0.05 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2roq h LEU 29 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2roq h LEU 29 CO 0.15 1.07 0.00 0.18 0.09 0.00 0.00 178.44 179.93 2roq n LEU 30 N -4.58 0.00 -3.90 1.67 4.77 0.86 -4.88 117.00 110.94 2roq n LEU 30 Ca -0.15 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 2roq n LEU 30 Cb 0.46 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2roq n LEU 30 CO 0.22 -0.04 0.01 0.61 -1.33 0.00 0.00 177.39 176.86 2roq n GLY 31 N 0.67 -0.47 0.00 -0.72 0.00 0.27 -4.93 105.19 100.01 2roq n GLY 31 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2roq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roq s ASP 33 N 0.10 5.17 0.15 0.00 1.11 -1.26 -4.43 116.67 117.51 2roq s ASP 33 Ca 0.00 -1.78 -0.31 0.00 0.18 0.00 0.00 52.55 50.64 2roq s ASP 33 Cb 0.00 -1.80 -0.09 0.00 1.07 0.00 0.00 42.92 42.10 2roq s ASP 33 CO 0.00 -0.46 1.44 -0.69 1.18 0.00 0.00 175.17 176.64 2roq s VAL 34 N 1.19 3.04 0.12 -1.27 1.01 -1.26 -4.93 120.40 118.29 2roq s VAL 34 Ca 0.04 0.76 -0.33 0.00 0.00 0.00 0.00 61.98 62.45 2roq s VAL 34 Cb -0.22 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 2roq s VAL 34 CO -0.03 0.07 1.56 -0.61 0.00 0.00 0.00 175.10 176.08 2roq h GLN 35 N 6.56 -0.54 0.00 2.72 4.15 -1.96 -3.48 115.11 122.56 2roq h GLN 35 Ca -0.43 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2roq h GLN 35 Cb 1.21 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.02 2roq h GLN 35 CO 0.87 -0.36 0.00 -0.25 -1.93 0.00 0.00 178.83 177.16 2roq n ASP 36 N -5.43 0.00 -0.00 -0.69 9.92 -1.26 -4.95 116.55 114.14 2roq n ASP 36 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2roq n ASP 36 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.00 1.20 -2.02 2.24 0.00 -1.24 -4.67 120.51 116.01 2roq n ALA 37 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 53.44 52.89 2roq n ALA 37 Cb 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.10 1.37 -4.77 0.00 2.03 -1.26 -2.22 116.55 111.60 2roq n ASP 38 Ca 0.00 -3.00 -0.29 0.00 0.52 0.00 0.00 54.79 52.02 2roq n ASP 38 Cb 0.45 -0.42 0.13 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.69 1.77 -0.18 -1.67 0.00 -1.26 -4.86 121.76 113.87 2roq s ALA 39 Ca 0.36 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 2roq s ALA 39 Cb 0.38 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 20.47 2roq s ALA 39 CO -0.12 -2.23 -0.05 -0.51 0.00 0.00 0.00 175.76 172.85 2roq s ASP 40 N -3.90 2.96 0.17 0.00 1.01 -1.26 -3.87 116.67 111.77 2roq s ASP 40 Ca 0.63 -0.73 -0.22 0.00 0.71 0.00 0.00 52.55 52.94 2roq s ASP 40 Cb -0.15 -0.94 0.07 0.00 1.01 0.00 0.00 42.92 42.92 2roq s ASP 40 CO 0.54 -0.19 1.60 0.15 0.21 0.00 0.00 175.17 177.48 2roq h PHE 41 N 8.10 -0.85 0.42 4.23 3.04 -1.96 0.28 116.94 130.20 2roq h PHE 41 Ca -0.23 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 2roq h PHE 41 Cb 1.11 0.44 -0.03 0.00 2.56 0.00 0.00 35.95 40.03 2roq h PHE 41 CO 0.45 -0.37 -0.48 0.74 -2.02 0.00 0.00 178.31 176.62 2roq h PHE 42 N -0.23 -1.33 -0.03 0.41 0.04 -1.86 0.49 116.94 114.43 2roq h PHE 42 Ca 0.18 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.98 2roq h PHE 42 Cb 0.53 0.53 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 2roq h PHE 42 CO -0.54 -0.63 0.19 0.00 -0.60 0.00 0.00 178.31 176.72 2roq h ALA 43 N -0.70 1.27 0.00 2.45 0.00 -1.61 0.28 119.26 120.95 2roq h ALA 43 Ca -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2roq h ALA 43 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2roq h ALA 43 CO -0.10 -0.20 -1.19 1.28 0.00 0.00 0.00 179.25 179.04 2roq n LEU 44 N -3.09 0.74 0.00 0.00 4.77 0.93 -4.66 117.00 115.69 2roq n LEU 44 Ca -0.02 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2roq n LEU 44 Cb 0.25 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2roq n LEU 44 CO 0.18 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2roq n GLY 45 N 1.22 0.89 3.57 -0.72 0.00 0.14 -4.81 105.19 105.49 2roq n GLY 45 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2roq n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2roq s GLY 46 N -1.71 1.41 0.00 -0.02 0.00 0.77 -4.72 107.32 103.06 2roq s GLY 46 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.06 2roq s GLY 46 CO 0.00 2.78 0.00 1.57 0.00 0.00 0.00 173.10 177.45 2roq n HIS 47 N 9.01 0.00 -2.44 1.90 -0.00 -1.25 -4.38 115.22 118.07 2roq n HIS 47 Ca 0.44 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.58 2roq n HIS 47 Cb 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2roq n HIS 47 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2roq n ALA 48 N -0.03 -3.15 -2.23 1.57 0.00 -1.26 -4.23 120.51 111.18 2roq n ALA 48 Ca 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 53.44 54.01 2roq n ALA 48 Cb 0.00 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 17.48 2roq n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2roq n LEU 49 N -0.02 -1.51 0.07 0.00 4.77 -1.26 -4.84 117.00 114.21 2roq n LEU 49 Ca 0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2roq n LEU 49 Cb 0.20 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 2roq n LEU 49 CO 0.34 -0.07 0.00 0.18 -1.33 0.00 0.00 177.39 176.51 2roq n LEU 50 N -1.44 -0.25 0.04 2.23 7.99 -1.26 -4.69 117.00 119.63 2roq n LEU 50 Ca -0.10 0.23 -0.08 0.00 -0.01 0.00 0.00 56.01 56.04 2roq n LEU 50 Cb 0.58 0.35 0.07 0.00 -0.11 0.00 0.00 43.42 44.31 2roq n LEU 50 CO 0.14 -0.58 0.44 0.00 -1.51 0.00 0.00 177.39 175.88 2roq h ALA 51 N 0.00 0.71 0.01 -1.18 0.00 -1.83 -2.26 119.26 114.71 2roq h ALA 51 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2roq h ALA 51 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2roq h ALA 51 CO 0.00 0.72 -0.14 1.98 0.00 0.00 0.00 179.25 181.81 2roq h MET 52 N 0.31 0.02 -0.93 0.00 1.85 -1.92 -2.21 114.93 112.05 2roq h MET 52 Ca -0.01 -0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.14 2roq h MET 52 Cb 1.16 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.13 2roq h MET 52 CO 0.11 1.02 0.60 0.87 -0.40 0.00 0.00 176.91 179.10 2roq h LYS 53 N -0.96 0.92 -0.02 0.39 1.79 -1.84 -1.80 116.57 115.05 2roq h LYS 53 Ca -0.03 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 2roq h LYS 53 Cb 1.06 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2roq h LYS 53 CO -0.00 0.61 -0.22 1.25 -1.08 0.00 0.00 179.45 180.00 2roq h LEU 54 N 0.94 0.22 -0.55 2.94 6.46 -1.52 -2.20 115.31 121.62 2roq h LEU 54 Ca 0.43 -0.72 0.11 0.00 -0.12 0.00 0.00 57.88 57.58 2roq h LEU 54 Cb 0.39 -0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.14 2roq h LEU 54 CO -0.19 0.91 -0.17 0.00 -0.62 0.00 0.00 178.44 178.38 2roq h ALA 55 N 0.32 0.30 -0.07 1.25 0.00 -0.95 0.32 119.26 120.43 2roq h ALA 55 Ca -0.02 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2roq h ALA 55 Cb 0.93 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2roq h ALA 55 CO 0.04 -0.47 -0.51 0.00 0.00 0.00 0.00 179.25 178.31 2roq h ALA 56 N 1.46 1.00 -0.20 0.00 0.00 -1.43 -2.16 119.26 117.94 2roq h ALA 56 Ca 0.26 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2roq h ALA 56 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2roq h ALA 56 CO -0.58 0.66 0.03 0.37 0.00 0.00 0.00 179.25 179.72 2roq h GLN 57 N 0.15 0.34 -0.22 0.00 4.15 -0.23 -2.23 115.11 117.06 2roq h GLN 57 Ca 0.00 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 2roq h GLN 57 Cb 0.96 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 2roq h GLN 57 CO 0.08 0.50 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.39 2roq h LEU 58 N 0.12 0.40 -2.16 -2.39 3.38 -0.45 -0.94 115.31 113.27 2roq h LEU 58 Ca 0.06 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.76 2roq h LEU 58 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2roq h LEU 58 CO 0.01 0.63 0.18 0.77 0.09 0.00 0.00 178.44 180.11 2roq h SER 59 N 0.16 0.00 0.93 -0.43 4.64 -1.37 0.48 113.55 117.95 2roq h SER 59 Ca 0.06 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2roq h SER 59 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2roq h SER 59 CO 0.01 0.00 -1.10 0.03 -0.87 0.00 0.00 176.83 174.90 2roq h ARG 60 N 0.00 0.00 0.00 4.77 2.47 -1.09 -1.10 114.38 119.43 2roq h ARG 60 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2roq h ARG 60 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2roq h ARG 60 CO -0.00 0.09 -1.00 1.04 0.56 0.00 0.00 179.97 180.66 2roq n GLN 61 N -2.76 0.49 0.00 0.04 1.13 0.23 -3.95 117.38 112.56 2roq n GLN 61 Ca -0.03 0.07 0.07 0.00 -1.94 0.00 0.00 57.00 55.17 2roq n GLN 61 Cb 0.64 -1.73 0.03 0.00 0.11 0.00 0.00 30.24 29.29 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 -2.40 0.00 -1.56 5.09 0.24 0.14 -4.97 118.33 114.87 2roq n VAL 62 Ca 0.01 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.34 61.71 2roq n VAL 62 Cb 0.51 1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.37 -0.27 -4.15 2.33 0.00 -1.03 -4.88 120.51 112.89 2roq n ALA 63 Ca 0.07 0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 2roq n ALA 63 Cb 0.32 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 2roq n ALA 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2roq n ARG 64 N -2.54 1.54 -3.85 0.00 3.00 -0.45 -5.02 116.66 109.34 2roq n ARG 64 Ca -0.16 -1.21 -0.30 0.00 -0.00 0.00 0.00 57.85 56.18 2roq n ARG 64 Cb 0.53 0.30 -0.14 0.00 0.00 0.00 0.00 32.46 33.15 2roq n ARG 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2roq s GLN 65 N -2.63 1.42 0.60 -0.14 -1.52 -1.26 -4.34 119.66 111.79 2roq s GLN 65 Ca 0.02 -1.99 -0.14 0.00 -1.95 0.00 0.00 55.36 51.30 2roq s GLN 65 Cb -0.00 -2.75 -0.04 0.00 -0.22 0.00 0.00 33.01 29.99 2roq s GLN 65 CO 0.01 -1.06 1.03 0.54 -0.25 0.00 0.00 175.29 175.56 2roq s VAL 66 N 0.52 4.30 0.07 1.09 0.11 -1.26 -4.61 120.40 120.62 2roq s VAL 66 Ca 0.14 0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 60.03 2roq s VAL 66 Cb -0.22 -3.61 -0.06 0.00 -1.53 0.00 0.00 36.38 30.96 2roq s VAL 66 CO -0.06 -0.80 0.37 0.42 -3.33 0.00 0.00 175.10 171.69 2roq s THR 67 N -2.82 5.14 -0.02 5.04 -4.23 -1.25 -4.94 115.64 112.56 2roq s THR 67 Ca 0.59 0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 61.21 2roq s THR 67 Cb -0.12 -3.63 -0.20 0.00 1.34 0.00 0.00 72.50 69.88 2roq s THR 67 CO 0.44 0.30 1.26 1.55 -0.54 0.00 0.00 174.62 177.62 2roq h PRO 68 N 3.74 -0.01 -0.01 3.99 0.13 -1.97 -3.17 132.00 134.71 2roq h PRO 68 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2roq h PRO 68 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2roq h PRO 68 CO 0.67 0.48 -0.04 0.41 -0.23 0.00 0.00 178.00 179.29 2roq n GLY 69 N 0.23 -0.73 2.59 1.56 0.00 -1.26 -4.42 105.19 103.15 2roq n GLY 69 Ca -0.08 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2roq n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2roq s GLN 70 N -2.18 1.23 0.00 1.61 0.74 -1.20 -4.22 119.66 115.65 2roq s GLN 70 Ca 0.38 -2.16 0.00 0.00 0.05 0.00 0.00 55.36 53.63 2roq s GLN 70 Cb 0.21 -2.02 0.00 0.00 1.10 0.00 0.00 33.01 32.30 2roq s GLN 70 CO 0.40 -1.27 0.00 1.55 -0.55 0.00 0.00 175.29 175.42 2roq n VAL 71 N 3.10 0.00 -3.72 1.34 3.14 -1.25 -3.75 118.33 117.19 2roq n VAL 71 Ca 0.19 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.31 2roq n VAL 71 Cb 0.40 -0.08 0.02 0.00 -1.06 0.00 0.00 33.84 33.11 2roq n VAL 71 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 2roq n MET 72 N -1.69 0.64 0.00 1.45 0.00 -1.26 -4.62 117.12 111.63 2roq n MET 72 Ca 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 57.70 54.24 2roq n MET 72 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 33.22 33.47 2roq n MET 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2roq n VAL 73 N -1.92 0.00 -0.40 3.17 0.31 -1.26 -4.59 118.33 113.64 2roq n VAL 73 Ca 0.02 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.70 2roq n VAL 73 Cb 0.64 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.19 2roq n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2roq h ALA 74 N 0.00 2.52 -2.23 3.52 0.00 -1.81 -3.44 119.26 117.82 2roq h ALA 74 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2roq h ALA 74 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2roq h ALA 74 CO 0.00 -1.23 0.00 0.43 0.00 0.00 0.00 179.25 178.45 2roq n SER 75 N -4.94 0.00 -2.17 0.00 7.64 -1.26 -5.07 113.62 107.82 2roq n SER 75 Ca 0.38 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.28 2roq n SER 75 Cb 1.40 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.61 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 -0.77 0.00 -0.29 0.44 5.66 -1.26 -4.99 114.28 113.08 2roq n THR 76 Ca 0.00 -0.06 -0.03 0.00 -3.05 0.00 0.00 64.05 60.91 2roq n THR 76 Cb 0.00 0.24 0.03 0.00 -1.55 0.00 0.00 70.33 69.04 2roq n THR 76 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2roq h VAL 77 N 1.41 0.10 -0.49 1.08 2.07 -1.67 0.38 116.25 119.12 2roq h VAL 77 Ca -0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.52 2roq h VAL 77 Cb 0.48 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 2roq h VAL 77 CO 0.13 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.39 2roq h ALA 78 N 1.21 -0.12 -0.66 1.67 0.00 -1.77 -0.07 119.26 119.52 2roq h ALA 78 Ca 0.29 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2roq h ALA 78 Cb 0.57 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2roq h ALA 78 CO -0.82 -0.70 0.15 -0.22 0.00 0.00 0.00 179.25 177.65 2roq h LYS 79 N -0.21 1.06 -0.95 0.00 3.11 -1.29 -2.44 116.57 115.85 2roq h LYS 79 Ca 0.20 -0.25 0.20 0.00 -2.81 0.00 0.00 60.65 57.99 2roq h LYS 79 Cb 0.54 -0.14 -0.11 0.00 -1.00 0.00 0.00 32.23 31.52 2roq h LYS 79 CO -0.61 0.94 0.53 -0.07 -2.81 0.00 0.00 179.45 177.43 2roq h LEU 80 N 1.00 0.62 -0.09 5.20 -0.00 0.15 0.58 115.31 122.78 2roq h LEU 80 Ca 0.21 0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 58.07 2roq h LEU 80 Cb 0.37 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2roq h LEU 80 CO 0.00 0.17 -0.65 0.00 -0.00 0.00 0.00 178.44 177.97 2roq h ALA 81 N 1.66 0.60 0.00 1.53 0.00 -1.07 -2.36 119.26 119.62 2roq h ALA 81 Ca 0.57 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2roq h ALA 81 Cb 0.95 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2roq h ALA 81 CO -0.43 0.81 -0.17 2.41 0.00 0.00 0.00 179.25 181.87 2roq n THR 82 N -3.30 0.46 -0.09 0.00 -1.04 0.82 -2.05 114.28 109.08 2roq n THR 82 Ca 0.01 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 2roq n THR 82 Cb 0.78 -0.44 -0.15 0.00 -1.82 0.00 0.00 70.33 68.71 2roq n THR 82 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2roq n ILE 83 N -2.13 1.47 0.09 12.58 -5.35 0.17 -3.28 119.36 122.92 2roq n ILE 83 Ca 0.05 -0.77 -0.16 0.00 -0.27 0.00 0.00 62.75 61.60 2roq n ILE 83 Cb 0.42 -0.86 -0.14 0.00 -1.74 0.00 0.00 39.64 37.32 2roq n ILE 83 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 2roq h ILE 84 N 0.00 1.38 0.00 7.28 3.07 -1.50 -3.25 117.51 124.49 2roq h ILE 84 Ca -0.51 -2.97 -0.08 0.00 1.55 0.00 0.00 64.86 62.85 2roq h ILE 84 Cb 2.12 2.88 -0.01 0.00 -0.27 0.00 0.00 36.82 41.54 2roq h ILE 84 CO 0.01 0.86 -0.56 0.44 -1.05 0.00 0.00 178.15 177.86 2roq h ASP 85 N 0.07 0.00 0.00 2.16 5.19 -1.62 -3.39 116.42 118.83 2roq h ASP 85 Ca -0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2roq h ASP 85 Cb 1.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.50 2roq h ASP 85 CO 0.19 0.34 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 2roq n ALA 86 N -2.21 -0.15 -3.00 3.45 0.00 -1.20 -5.06 120.51 112.34 2roq n ALA 86 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2roq n ALA 86 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.22 0.00 -4.39 0.00 4.07 -1.22 -5.09 120.64 112.79 2roq n GLU 87 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 2roq n GLU 87 Cb 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.25 2roq n GLU 87 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2roq s GLU 88 N -1.87 1.28 0.00 5.31 -6.30 -1.26 -4.61 118.70 111.26 2roq s GLU 88 Ca 0.00 -1.20 -0.30 0.00 -2.50 0.00 0.00 54.97 50.97 2roq s GLU 88 Cb 0.00 -1.61 0.11 0.00 0.00 0.00 0.00 34.13 32.62 2roq s GLU 88 CO 0.00 0.38 1.13 0.34 0.02 0.00 0.00 175.26 177.14 2roq s ASP 89 N -1.85 -0.14 -0.44 -1.70 -1.08 -1.26 -5.11 116.67 105.08 2roq s ASP 89 Ca 0.09 -0.17 -0.09 0.00 -0.52 0.00 0.00 52.55 51.86 2roq s ASP 89 Cb -0.10 0.28 0.10 0.00 -1.46 0.00 0.00 42.92 41.73 2roq s ASP 89 CO 0.04 -0.50 0.30 -0.55 0.52 0.00 0.00 175.17 174.99 2roq s SER 90 N -2.77 5.68 -0.30 -0.34 0.15 -1.26 -4.80 113.70 110.06 2roq s SER 90 Ca 0.12 -1.67 0.03 0.00 0.70 0.00 0.00 55.95 55.12 2roq s SER 90 Cb 0.01 -2.00 0.20 0.00 -1.71 0.00 0.00 66.02 62.52 2roq s SER 90 CO -0.03 -0.61 0.68 -0.89 1.20 0.00 0.00 173.24 173.60 2roq s THR 91 N 1.40 -0.85 -0.63 6.45 2.01 -1.26 -5.10 115.64 117.66 2roq s THR 91 Ca 0.04 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2roq s THR 91 Cb -0.24 -0.78 -0.13 0.00 0.01 0.00 0.00 72.50 71.36 2roq s THR 91 CO 0.01 0.00 2.47 0.54 -0.69 0.00 0.00 174.62 176.95 2roq n ARG 92 N 5.27 0.73 -0.51 4.92 1.74 -1.26 -4.77 116.66 122.77 2roq n ARG 92 Ca 0.06 0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.11 2roq n ARG 92 Cb 0.55 -2.64 0.05 0.00 -1.02 0.00 0.00 32.46 29.39 2roq n ARG 92 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2roq n ARG 93 N 8.70 1.45 -0.13 5.56 5.12 -1.26 -4.93 116.66 131.17 2roq n ARG 93 Ca 0.47 -1.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.26 2roq n ARG 93 Cb 0.32 -1.39 0.13 0.00 -1.16 0.00 0.00 32.46 30.36 2roq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2roq n MET 94 N 0.20 -2.88 -0.04 5.56 0.00 -1.26 -3.32 117.12 115.38 2roq n MET 94 Ca 0.20 -0.63 0.01 0.00 0.00 0.00 0.00 57.70 57.28 2roq n MET 94 Cb 0.78 -0.86 0.03 0.00 0.00 0.00 0.00 33.22 33.17 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 -2.37 -0.48 2.58 3.17 0.00 -1.26 -4.77 105.19 102.07 2roq n GLY 95 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2roq n GLY 95 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2roq n PHE 96 N -0.26 0.00 -3.53 1.61 7.35 -1.26 -4.93 117.46 116.43 2roq n PHE 96 Ca 0.02 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.55 2roq n PHE 96 Cb 0.08 -2.14 -0.06 0.00 0.35 0.00 0.00 39.48 37.71 2roq n PHE 96 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2roq s GLU 97 N -2.47 0.98 0.66 -4.13 2.02 -1.26 -5.02 118.70 109.48 2roq s GLU 97 Ca 0.00 0.28 0.40 0.00 0.02 0.00 0.00 54.97 55.68 2roq s GLU 97 Cb 0.00 0.46 2.21 0.00 0.10 0.00 0.00 34.13 36.90 2roq s GLU 97 CO 0.00 -0.30 2.27 1.79 0.02 0.00 0.00 175.26 179.05 2roq h THR 98 N 2.99 0.07 -4.02 3.63 1.35 -1.92 -3.40 112.91 111.62 2roq h THR 98 Ca -0.26 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 64.98 2roq h THR 98 Cb 1.14 0.93 -0.31 0.00 -1.73 0.00 0.00 68.15 68.19 2roq h THR 98 CO 0.36 0.00 -0.86 0.27 -0.25 0.00 0.00 175.52 175.04 2roq s ILE 99 N -4.21 1.74 0.03 6.82 -4.36 -1.25 -4.26 121.20 115.72 2roq s ILE 99 Ca -0.05 -0.90 0.03 0.00 -0.26 0.00 0.00 60.65 59.47 2roq s ILE 99 Cb 0.13 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.34 2roq s ILE 99 CO 0.41 0.49 -0.09 -0.76 0.24 0.00 0.00 174.94 175.23 2roq s LEU 100 N -0.12 2.20 -0.62 0.37 1.02 -1.26 -4.97 118.68 115.31 2roq s LEU 100 Ca -0.02 -0.45 -0.26 0.00 0.02 0.00 0.00 54.13 53.41 2roq s LEU 100 Cb -0.12 -0.27 -0.02 0.00 0.02 0.00 0.00 46.19 45.80 2roq s LEU 100 CO 0.02 -0.11 1.86 -2.16 0.02 0.00 0.00 176.35 175.99 2roq s PRO 101 N -1.24 2.62 0.32 1.29 0.04 -1.26 -4.50 135.00 132.27 2roq s PRO 101 Ca -0.06 0.59 0.26 0.00 0.04 0.00 0.00 61.00 61.84 2roq s PRO 101 Cb -0.08 -4.40 0.89 0.00 0.04 0.00 0.00 34.50 30.95 2roq s PRO 101 CO 0.01 -2.74 1.77 -0.07 0.04 0.00 0.00 177.00 176.00 2roq h LEU 102 N 16.46 0.00 -6.00 -3.56 3.38 -1.96 -3.42 115.31 120.20 2roq h LEU 102 Ca -0.25 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.92 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 1.22 0.00 0.01 -0.13 0.09 0.00 0.00 178.44 179.63 2roq s ARG 103 N -3.29 0.23 -0.17 1.13 1.81 -0.75 -4.25 118.95 113.67 2roq s ARG 103 Ca 0.06 0.33 -0.04 0.00 -1.72 0.00 0.00 55.73 54.36 2roq s ARG 103 Cb 0.10 0.17 0.07 0.00 -0.45 0.00 0.00 34.95 34.84 2roq s ARG 103 CO 0.53 -0.32 0.16 -2.00 -0.68 0.00 0.00 175.30 172.99 2roq s GLU 104 N 2.94 0.11 0.00 3.54 2.12 -1.26 0.10 118.70 126.25 2roq s GLU 104 Ca 0.11 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.62 2roq s GLU 104 Cb -0.08 -1.23 0.00 0.00 0.26 0.00 0.00 34.13 33.09 2roq s GLU 104 CO -0.17 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 2roq n GLY 105 N 5.31 0.84 0.61 -1.50 0.00 -1.26 -5.04 105.19 104.14 2roq n GLY 105 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.11 0.00 1.61 4.05 -1.26 -5.01 115.26 114.54 2roq n ASN 106 Ca 0.00 -1.34 0.00 0.00 0.45 0.00 0.00 54.58 53.69 2roq n ASN 106 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2roq n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2roq n GLY 107 N 0.02 0.89 3.72 8.20 0.00 -1.26 -4.12 105.19 112.64 2roq n GLY 107 Ca -0.04 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.00 4.34 -0.04 1.61 0.04 -1.26 -4.37 135.00 133.32 2roq s PRO 108 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2roq s PRO 108 Cb 0.00 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2roq s PRO 108 CO 0.00 -0.40 0.95 0.95 0.04 0.00 0.00 177.00 178.54 2roq s THR 109 N 1.05 4.87 0.02 1.26 -4.23 -1.25 -3.77 115.64 113.60 2roq s THR 109 Ca 0.63 1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 63.12 2roq s THR 109 Cb -0.36 -4.28 -0.04 0.00 1.34 0.00 0.00 72.50 69.16 2roq s THR 109 CO 0.30 0.12 0.12 -0.22 -0.54 0.00 0.00 174.62 174.41 2roq s LEU 110 N 1.29 4.05 -0.37 4.79 0.20 -1.03 -4.69 118.68 122.91 2roq s LEU 110 Ca 0.49 0.17 -0.00 0.00 0.69 0.00 0.00 54.13 55.48 2roq s LEU 110 Cb -0.20 -2.49 0.10 0.00 -0.43 0.00 0.00 46.19 43.17 2roq s LEU 110 CO 0.24 0.23 0.13 -0.36 -0.29 0.00 0.00 176.35 176.30 2roq s PHE 111 N -1.31 3.64 0.03 5.38 0.08 -1.22 -2.73 117.98 121.84 2roq s PHE 111 Ca 0.27 -2.62 0.07 0.00 0.12 0.00 0.00 56.93 54.76 2roq s PHE 111 Cb -0.12 -3.04 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2roq s PHE 111 CO 0.19 -0.96 -0.20 0.00 -0.10 0.00 0.00 175.22 174.15 2roq s PHE 113 N -0.71 3.48 0.61 0.00 0.08 -1.14 -3.42 117.98 116.89 2roq s PHE 113 Ca 0.07 0.47 -0.17 0.00 0.12 0.00 0.00 56.93 57.42 2roq s PHE 113 Cb -0.08 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 2roq s PHE 113 CO 0.01 0.25 1.11 -3.38 -0.10 0.00 0.00 175.22 173.12 2roq s HIS 114 N -2.03 2.67 -0.80 0.36 -3.43 -1.26 -4.61 115.29 106.19 2roq s HIS 114 Ca 0.41 1.55 -0.05 0.00 -0.80 0.00 0.00 55.06 56.16 2roq s HIS 114 Cb -0.11 -3.20 -0.05 0.00 -1.43 0.00 0.00 32.58 27.80 2roq s HIS 114 CO 0.30 -1.60 1.96 -0.35 -2.00 0.00 0.00 174.74 173.05 2roq n PRO 115 N -2.00 1.81 -2.94 -0.38 -0.04 -1.26 -4.40 135.00 125.78 2roq n PRO 115 Ca 0.11 -1.34 -0.15 0.00 -0.04 0.00 0.00 63.50 62.07 2roq n PRO 115 Cb 0.52 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.37 -0.97 -0.53 0.55 0.00 -1.25 -4.83 120.51 117.85 2roq n ALA 116 Ca 0.39 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2roq n ALA 116 Cb 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.96 0.00 0.00 0.00 7.64 -1.26 -3.67 113.62 114.37 2roq n SER 117 Ca -0.05 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2roq n SER 117 Cb 0.55 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 2.10 0.29 3.04 0.23 0.00 -1.26 -4.52 105.19 105.05 2roq n GLY 118 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.02 -0.47 1.61 -0.71 -1.26 -0.10 117.98 117.02 2roq s PHE 119 Ca 0.00 0.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.97 2roq s PHE 119 Cb 0.00 -0.02 0.46 0.00 -1.21 0.00 0.00 43.02 42.25 2roq s PHE 119 CO 0.00 -0.16 1.61 0.00 -1.34 0.00 0.00 175.22 175.33 2roq n ALA 120 N 2.26 5.65 0.89 1.99 0.00 -1.26 -4.51 120.51 125.52 2roq n ALA 120 Ca -0.18 -3.62 0.11 0.00 0.00 0.00 0.00 53.44 49.75 2roq n ALA 120 Cb 0.57 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.83 0.00 -0.01 0.00 8.01 -1.26 -4.20 117.44 119.16 2roq n TRP 121 Ca 0.53 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.73 2roq n TRP 121 Cb 0.83 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 30.14 2roq n TRP 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2roq n GLN 122 N 0.96 2.30 -0.05 -0.99 10.64 -1.26 -2.03 117.38 126.96 2roq n GLN 122 Ca 0.12 -1.38 0.11 0.00 -1.83 0.00 0.00 57.00 54.02 2roq n GLN 122 Cb 0.51 -1.03 0.46 0.00 -0.86 0.00 0.00 30.24 29.33 2roq n GLN 122 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2roq n PHE 123 N -0.32 0.12 -0.35 2.61 -1.74 -1.26 -4.16 117.46 112.37 2roq n PHE 123 Ca 0.01 -0.06 0.36 0.00 -0.56 0.00 0.00 57.45 57.19 2roq n PHE 123 Cb 0.22 0.00 0.74 0.00 1.52 0.00 0.00 39.48 41.96 2roq n PHE 123 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2roq h SER 124 N 1.54 0.03 -0.99 5.98 0.87 -1.81 0.38 113.55 119.55 2roq h SER 124 Ca 0.00 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.65 2roq h SER 124 Cb 0.34 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 2roq h SER 124 CO 0.00 0.00 0.64 1.62 -0.53 0.00 0.00 176.83 178.56 2roq h VAL 125 N 0.03 1.04 -0.01 2.23 3.04 -1.90 -1.56 116.25 119.12 2roq h VAL 125 Ca 0.59 -0.38 -0.22 0.00 -1.01 0.00 0.00 66.70 65.69 2roq h VAL 125 Cb 2.32 -0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2roq h VAL 125 CO -0.03 0.20 -0.91 0.25 -1.01 0.00 0.00 177.57 176.07 2roq h LEU 126 N 1.10 0.47 -1.06 3.16 6.46 -0.58 -2.18 115.31 122.68 2roq h LEU 126 Ca 0.44 -0.37 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2roq h LEU 126 Cb 0.27 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 2roq h LEU 126 CO -0.19 1.17 0.54 0.28 -0.62 0.00 0.00 178.44 179.62 2roq h SER 127 N 0.21 1.04 0.66 1.25 0.02 -1.10 0.32 113.55 115.95 2roq h SER 127 Ca -0.07 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.57 2roq h SER 127 Cb 1.54 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2roq h SER 127 CO 0.15 0.79 -1.19 -0.09 -1.14 0.00 0.00 176.83 175.35 2roq h ARG 128 N 1.21 0.25 -0.00 3.45 1.12 -1.34 -3.01 114.38 116.05 2roq h ARG 128 Ca 0.32 -0.40 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 2roq h ARG 128 Cb -0.07 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2roq h ARG 128 CO -0.06 1.18 -0.05 0.66 -3.11 0.00 0.00 179.97 178.60 2roq n TYR 129 N -3.53 0.00 0.00 2.20 4.01 -0.82 -4.31 117.16 114.71 2roq n TYR 129 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2roq n TYR 129 Cb 1.00 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 2roq n TYR 129 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2roq n LEU 130 N -1.05 0.31 -4.45 7.72 7.99 0.11 -4.75 117.00 122.88 2roq n LEU 130 Ca 0.16 0.05 -0.22 0.00 -0.01 0.00 0.00 56.01 55.99 2roq n LEU 130 Cb 0.24 -0.24 -0.10 0.00 -0.11 0.00 0.00 43.42 43.20 2roq n LEU 130 CO 0.22 -0.24 -0.35 -1.81 -1.51 0.00 0.00 177.39 173.71 2roq s ASP 131 N -2.34 2.82 0.21 -1.43 1.11 -1.14 -4.89 116.67 111.01 2roq s ASP 131 Ca 0.00 -1.23 -0.03 0.00 0.18 0.00 0.00 52.55 51.47 2roq s ASP 131 Cb 0.00 -0.18 0.18 0.00 1.07 0.00 0.00 42.92 43.99 2roq s ASP 131 CO 0.00 -0.38 1.57 1.55 1.18 0.00 0.00 175.17 179.08 2roq h PRO 132 N 2.21 0.60 0.00 8.23 0.13 -1.85 -3.40 132.00 137.91 2roq h PRO 132 Ca -0.40 -0.31 -0.07 0.00 -0.87 0.00 0.00 66.00 64.34 2roq h PRO 132 Cb 1.24 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2roq h PRO 132 CO 0.69 0.91 0.01 0.94 -0.23 0.00 0.00 178.00 180.31 2roq n GLN 133 N -4.02 0.09 -0.98 0.86 7.27 -1.26 -5.04 117.38 114.30 2roq n GLN 133 Ca -0.02 -0.64 0.00 0.00 0.07 0.00 0.00 57.00 56.41 2roq n GLN 133 Cb 0.53 -0.16 0.00 0.00 2.41 0.00 0.00 30.24 33.03 2roq n GLN 133 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 2roq n TRP 134 N 1.30 -1.52 -4.06 3.69 4.27 -1.26 -4.70 117.44 115.16 2roq n TRP 134 Ca -0.01 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.26 2roq n TRP 134 Cb 0.72 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.57 2roq n TRP 134 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2roq s SER 135 N -0.84 5.52 0.01 -0.67 1.04 -1.25 -4.69 113.70 112.83 2roq s SER 135 Ca 0.00 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.35 2roq s SER 135 Cb 0.00 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.21 2roq s SER 135 CO 0.00 0.18 0.31 0.27 0.98 0.00 0.00 173.24 174.99 2roq s ILE 136 N 0.32 0.07 0.00 -1.02 -4.36 0.28 -2.46 121.20 114.03 2roq s ILE 136 Ca 0.02 -0.56 -0.07 0.00 -0.26 0.00 0.00 60.65 59.79 2roq s ILE 136 Cb -0.13 -0.77 -0.00 0.00 1.25 0.00 0.00 42.46 42.82 2roq s ILE 136 CO 0.01 -0.31 0.12 -0.63 0.24 0.00 0.00 174.94 174.37 2roq s ILE 137 N -1.88 0.09 -0.22 8.37 1.01 -1.11 -1.81 121.20 125.65 2roq s ILE 137 Ca -0.10 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2roq s ILE 137 Cb -0.03 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 42.07 2roq s ILE 137 CO 0.01 -0.39 -0.13 -0.83 0.00 0.00 0.00 174.94 173.60 2roq s GLY 138 N -1.39 1.45 -0.68 6.18 0.00 -1.26 -3.49 107.32 108.13 2roq s GLY 138 Ca -0.15 -1.44 -0.26 0.00 0.00 0.00 0.00 44.72 42.87 2roq s GLY 138 CO 0.01 0.58 1.17 -0.42 0.00 0.00 0.00 173.10 174.44 2roq s ILE 139 N 1.25 3.95 0.32 0.90 -1.09 -1.22 -4.58 121.20 120.73 2roq s ILE 139 Ca -0.03 0.30 -0.10 0.00 -2.23 0.00 0.00 60.65 58.59 2roq s ILE 139 Cb -0.17 -4.81 0.01 0.00 -1.58 0.00 0.00 42.46 35.91 2roq s ILE 139 CO -0.08 -1.64 0.57 0.00 -1.23 0.00 0.00 174.94 172.56 2roq s GLN 140 N 5.12 1.87 -0.23 2.79 1.03 -1.26 -4.34 119.66 124.64 2roq s GLN 140 Ca 0.33 -1.47 -0.03 0.00 0.04 0.00 0.00 55.36 54.23 2roq s GLN 140 Cb -0.10 0.51 0.10 0.00 0.03 0.00 0.00 33.01 33.55 2roq s GLN 140 CO 0.16 -0.81 0.22 -1.54 -2.54 0.00 0.00 175.29 170.78 2roq s SER 141 N -3.11 1.72 -0.44 12.60 1.04 -1.09 -3.79 113.70 120.64 2roq s SER 141 Ca 0.23 -0.46 -0.28 0.00 0.48 0.00 0.00 55.95 55.92 2roq s SER 141 Cb -0.02 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2roq s SER 141 CO 0.14 -0.35 1.76 -2.16 0.98 0.00 0.00 173.24 173.60 2roq s PRO 142 N 2.30 3.12 0.01 4.02 0.04 0.85 -4.67 135.00 140.67 2roq s PRO 142 Ca 0.07 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.04 2roq s PRO 142 Cb -0.15 -4.24 0.02 0.00 0.04 0.00 0.00 34.50 30.17 2roq s PRO 142 CO -0.18 -2.12 0.29 1.03 0.04 0.00 0.00 177.00 176.06 2roq s ARG 143 N 6.03 0.70 -0.02 4.56 0.52 -1.26 -5.05 118.95 124.44 2roq s ARG 143 Ca 0.72 -0.31 -0.25 0.00 -0.52 0.00 0.00 55.73 55.37 2roq s ARG 143 Cb -0.18 0.31 -0.20 0.00 0.52 0.00 0.00 34.95 35.40 2roq s ARG 143 CO 0.29 -0.20 1.27 -1.00 0.02 0.00 0.00 175.30 175.68 2roq h PRO 144 N 3.68 0.04 0.00 3.54 0.13 -1.93 -3.45 132.00 134.01 2roq h PRO 144 Ca -0.30 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2roq h PRO 144 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 2roq h PRO 144 CO 0.42 0.52 -0.00 -1.71 -0.23 0.00 0.00 178.00 177.00 2roq n ASN 145 N -4.82 -1.30 -4.31 1.44 2.85 -1.26 -4.38 115.26 103.48 2roq n ASN 145 Ca -0.08 -1.86 -0.33 0.00 -0.11 0.00 0.00 54.58 52.20 2roq n ASN 145 Cb 0.26 0.93 0.13 0.00 1.24 0.00 0.00 39.78 42.35 2roq n ASN 145 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 146 N 1.07 -2.44 0.26 8.20 0.00 -1.26 -4.89 105.19 106.12 2roq n GLY 146 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.71 0.84 -0.00 1.61 0.13 -2.03 -3.10 132.00 127.73 2roq h PRO 147 Ca -0.48 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 2roq h PRO 147 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2roq h PRO 147 CO 0.35 1.08 -0.56 -1.33 -0.23 0.00 0.00 178.00 177.31 2roq n MET 148 N -4.05 0.36 0.04 0.86 2.81 -1.26 -3.98 117.12 111.91 2roq n MET 148 Ca -0.02 -0.25 0.08 0.00 -1.81 0.00 0.00 57.70 55.70 2roq n MET 148 Cb 0.54 -1.49 0.35 0.00 -0.71 0.00 0.00 33.22 31.91 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 -1.10 0.06 0.40 0.03 1.13 -1.17 0.09 117.38 116.83 2roq n GLN 149 Ca 0.07 0.33 -0.16 0.00 -1.94 0.00 0.00 57.00 55.30 2roq n GLN 149 Cb 0.35 -1.63 -0.08 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.69 -3.37 112.91 114.28 2roq h THR 150 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2roq h THR 150 Cb 0.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 2roq h THR 150 CO 0.00 0.00 -0.52 0.00 -0.25 0.00 0.00 175.52 174.75 2roq n ALA 151 N -2.66 1.23 1.35 6.62 0.00 -1.21 -4.69 120.51 121.15 2roq n ALA 151 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.37 2roq n ALA 151 Cb 0.41 0.05 0.21 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.98 2.49 -0.13 0.00 0.00 0.88 -3.98 120.51 118.80 2roq n ALA 152 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2roq n ALA 152 Cb 0.10 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 1.34 0.75 0.40 0.00 7.08 -0.52 -1.75 115.58 122.88 2roq h ASN 153 Ca 0.00 -0.37 -0.09 0.00 -3.08 0.00 0.00 56.30 52.76 2roq h ASN 153 Cb 0.30 -0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.33 2roq h ASN 153 CO 0.00 0.95 -0.41 -0.07 -2.08 0.00 0.00 177.43 175.82 2roq h LEU 154 N 0.54 0.02 0.03 6.14 3.38 -1.87 -2.12 115.31 121.43 2roq h LEU 154 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2roq h LEU 154 Cb 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2roq h LEU 154 CO 0.04 0.43 -0.02 -0.78 0.09 0.00 0.00 178.44 178.20 2roq h ASP 155 N 0.01 -0.04 0.46 -0.43 3.58 -1.74 -2.10 116.42 116.16 2roq h ASP 155 Ca -0.00 -0.52 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 2roq h ASP 155 Cb 0.73 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2roq h ASP 155 CO 0.05 0.51 -0.25 -0.33 -2.88 0.00 0.00 179.24 176.34 2roq h GLU 156 N -0.61 -0.64 -0.33 0.28 4.39 -1.28 -1.99 114.58 114.40 2roq h GLU 156 Ca -0.00 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.82 2roq h GLU 156 Cb 0.56 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2roq h GLU 156 CO 0.01 -0.43 0.23 -0.39 -1.16 0.00 0.00 179.01 177.27 2roq h VAL 157 N -0.66 0.86 -0.15 3.13 -1.51 -1.49 -1.77 116.25 114.65 2roq h VAL 157 Ca -0.06 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.37 2roq h VAL 157 Cb 0.53 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 2roq h VAL 157 CO 0.07 0.01 -0.00 0.00 -1.23 0.00 0.00 177.57 176.42 2roq h GLU 159 N 0.00 0.12 -0.36 0.00 4.39 -0.64 -2.00 114.58 116.11 2roq h GLU 159 Ca 0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2roq h GLU 159 Cb 0.38 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2roq h GLU 159 CO 0.01 0.19 0.18 0.00 -1.16 0.00 0.00 179.01 178.22 2roq h ALA 160 N 0.93 0.46 0.32 3.43 0.00 -1.39 -2.12 119.26 120.89 2roq h ALA 160 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2roq h ALA 160 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2roq h ALA 160 CO -0.00 0.01 -0.46 1.25 0.00 0.00 0.00 179.25 180.04 2roq h HIS 161 N 0.44 -1.31 -0.53 0.00 -0.00 -0.76 -2.04 115.15 110.94 2roq h HIS 161 Ca 0.12 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.62 2roq h HIS 161 Cb 0.10 0.53 -0.10 0.00 -0.00 0.00 0.00 27.41 27.95 2roq h HIS 161 CO -0.02 -0.58 -0.07 -0.07 -0.00 0.00 0.00 177.93 177.19 2roq h LEU 162 N -0.82 -0.37 -0.81 0.26 -0.00 -1.35 -0.26 115.31 111.96 2roq h LEU 162 Ca -0.04 0.15 0.19 0.00 -0.00 0.00 0.00 57.88 58.18 2roq h LEU 162 Cb 0.75 0.28 -0.12 0.00 -0.00 0.00 0.00 40.66 41.57 2roq h LEU 162 CO -0.13 -0.14 0.24 0.00 -0.00 0.00 0.00 178.44 178.41 2roq h ALA 163 N 1.51 1.13 -0.57 1.53 0.00 -1.02 0.13 119.26 121.97 2roq h ALA 163 Ca 0.27 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 2roq h ALA 163 Cb 0.41 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2roq h ALA 163 CO -0.50 -0.36 -0.04 1.15 0.00 0.00 0.00 179.25 179.49 2roq h THR 164 N 0.29 1.26 0.78 0.00 2.02 -0.36 -1.24 112.91 115.67 2roq h THR 164 Ca 0.48 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 2roq h THR 164 Cb 0.87 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2roq h THR 164 CO -0.55 0.43 -0.46 -0.07 0.37 0.00 0.00 175.52 175.24 2roq h LEU 165 N 0.93 -1.14 -0.70 2.58 4.07 0.08 -1.69 115.31 119.44 2roq h LEU 165 Ca 0.16 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2roq h LEU 165 Cb 0.60 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.66 2roq h LEU 165 CO 0.04 -0.72 0.00 0.18 -1.08 0.00 0.00 178.44 176.86 2roq n LEU 166 N -5.60 0.48 0.15 1.67 7.99 -0.53 -1.68 117.00 119.49 2roq n LEU 166 Ca -0.15 0.65 0.05 0.00 -0.01 0.00 0.00 56.01 56.55 2roq n LEU 166 Cb 0.48 -0.62 0.06 0.00 -0.11 0.00 0.00 43.42 43.23 2roq n LEU 166 CO 0.36 -0.60 0.50 -0.33 -1.51 0.00 0.00 177.39 175.81 2roq h GLU 167 N 0.00 0.00 0.05 3.23 5.08 -0.42 -3.32 114.58 119.20 2roq h GLU 167 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2roq h GLU 167 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2roq h GLU 167 CO 0.00 0.33 -1.97 1.04 -1.00 0.00 0.00 179.01 177.41 2roq n GLN 168 N -3.15 0.69 -3.61 2.33 3.00 -0.68 -4.99 117.38 110.97 2roq n GLN 168 Ca 0.02 0.24 -0.16 0.00 -0.01 0.00 0.00 57.00 57.08 2roq n GLN 168 Cb 0.68 -1.70 -0.07 0.00 0.00 0.00 0.00 30.24 29.14 2roq n GLN 168 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2roq s GLN 169 N -2.56 0.91 -0.02 -1.09 -0.21 -0.96 -5.07 119.66 110.65 2roq s GLN 169 Ca -0.15 0.10 -0.26 0.00 0.02 0.00 0.00 55.36 55.07 2roq s GLN 169 Cb 0.07 0.42 -0.20 0.00 1.00 0.00 0.00 33.01 34.30 2roq s GLN 169 CO 0.78 -0.27 1.27 -1.00 -2.12 0.00 0.00 175.29 173.95 2roq h PRO 170 N 3.34 0.01 -3.28 2.91 0.13 -1.86 -3.35 132.00 129.90 2roq h PRO 170 Ca -0.28 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2roq h PRO 170 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2roq h PRO 170 CO 0.39 0.49 0.13 -3.38 -0.23 0.00 0.00 178.00 175.40 2roq s HIS 171 N -4.26 0.25 -1.43 1.56 -3.43 -1.26 -4.94 115.29 101.78 2roq s HIS 171 Ca -0.16 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.34 2roq s HIS 171 Cb 0.02 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 2roq s HIS 171 CO 0.68 -1.35 0.00 0.41 -2.00 0.00 0.00 174.74 172.47 2roq n GLY 172 N -0.50 0.75 3.60 -1.38 0.00 -1.26 -5.02 105.19 101.38 2roq n GLY 172 Ca -0.05 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 2roq n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roq s PRO 173 N -0.85 3.47 -0.19 1.61 0.04 -1.26 -4.61 135.00 133.21 2roq s PRO 173 Ca 0.00 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 2roq s PRO 173 Cb 0.00 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 2roq s PRO 173 CO 0.00 -1.70 -0.00 0.71 0.04 0.00 0.00 177.00 176.05 2roq s TYR 174 N 6.28 3.06 0.62 0.56 2.02 -1.26 -4.87 117.35 123.76 2roq s TYR 174 Ca 0.74 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.99 2roq s TYR 174 Cb -0.21 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 2roq s TYR 174 CO 0.33 -0.14 1.02 0.71 -1.57 0.00 0.00 175.55 175.90 2roq s TYR 175 N 0.77 3.57 0.01 2.71 1.51 -1.25 -3.34 117.35 121.32 2roq s TYR 175 Ca 0.00 1.20 -0.12 0.00 -1.01 0.00 0.00 57.07 57.14 2roq s TYR 175 Cb -0.14 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 38.99 2roq s TYR 175 CO 0.02 -0.73 0.25 -1.17 -1.11 0.00 0.00 175.55 172.81 2roq s LEU 176 N -5.17 1.09 -0.06 -1.29 2.96 -0.36 -3.46 118.68 112.40 2roq s LEU 176 Ca 0.55 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2roq s LEU 176 Cb -0.11 1.11 0.03 0.00 0.50 0.00 0.00 46.19 47.73 2roq s LEU 176 CO 0.53 -0.49 0.12 -0.22 -1.32 0.00 0.00 176.35 174.97 2roq s LEU 177 N -1.64 0.85 0.16 -0.68 0.20 -1.17 -0.10 118.68 116.30 2roq s LEU 177 Ca -0.10 0.25 0.09 0.00 0.69 0.00 0.00 54.13 55.06 2roq s LEU 177 Cb -0.04 0.29 -0.04 0.00 -0.43 0.00 0.00 46.19 45.97 2roq s LEU 177 CO 0.01 -0.14 -0.15 -0.83 -0.29 0.00 0.00 176.35 174.95 2roq s GLY 178 N 1.06 1.72 -0.26 7.98 0.00 -0.45 -2.89 107.32 114.47 2roq s GLY 178 Ca -0.08 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 2roq s GLY 178 CO -0.05 -1.45 0.42 -0.19 0.00 0.00 0.00 173.10 171.84 2roq s TYR 179 N -1.47 -1.01 0.00 1.90 2.02 -1.26 -2.85 117.35 114.69 2roq s TYR 179 Ca 0.21 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2roq s TYR 179 Cb -0.09 0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.53 2roq s TYR 179 CO 0.12 -0.82 0.00 0.43 -1.57 0.00 0.00 175.55 173.72 2roq n SER 180 N 5.37 0.00 -0.24 2.29 7.64 -1.23 -3.12 113.62 124.33 2roq n SER 180 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.99 2roq n SER 180 Cb 0.50 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 64.15 2roq n SER 180 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2roq n LEU 181 N 0.00 0.94 -0.20 -3.43 -0.00 -1.26 -4.15 117.00 108.91 2roq n LEU 181 Ca 0.00 -0.23 0.30 0.00 -0.00 0.00 0.00 56.01 56.09 2roq n LEU 181 Cb 0.00 -0.12 0.71 0.00 -0.00 0.00 0.00 43.42 44.01 2roq n LEU 181 CO 0.00 0.17 1.28 1.23 -0.00 0.00 0.00 177.39 180.07 2roq h GLY 182 N 4.93 0.00 0.00 -3.96 0.00 -1.80 -2.05 103.07 100.19 2roq h GLY 182 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2roq h GLY 182 CO 0.00 0.00 -0.15 -1.33 0.00 0.00 0.00 176.54 175.06 2roq h GLY 183 N 0.00 -1.31 1.72 4.60 0.00 -1.80 0.49 103.07 106.77 2roq h GLY 183 Ca 0.46 0.61 -0.13 0.00 0.00 0.00 0.00 47.33 48.27 2roq h GLY 183 CO -0.00 -0.44 -0.50 -0.91 0.00 0.00 0.00 176.54 174.68 2roq h THR 184 N -0.19 1.34 0.00 4.70 1.35 -1.81 -2.14 112.91 116.16 2roq h THR 184 Ca 0.00 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 2roq h THR 184 Cb 0.21 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2roq h THR 184 CO -0.10 0.52 0.00 0.18 -0.25 0.00 0.00 175.52 175.87 2roq n LEU 185 N -3.95 0.05 -0.31 3.87 7.99 -0.81 -1.90 117.00 121.93 2roq n LEU 185 Ca -0.02 0.88 0.09 0.00 -0.01 0.00 0.00 56.01 56.95 2roq n LEU 185 Cb 0.55 -0.44 0.26 0.00 -0.11 0.00 0.00 43.42 43.68 2roq n LEU 185 CO 0.44 -0.44 1.13 0.00 -1.51 0.00 0.00 177.39 177.00 2roq h ALA 186 N -2.00 1.41 -0.02 -1.18 0.00 -0.14 -1.95 119.26 115.38 2roq h ALA 186 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2roq h ALA 186 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2roq h ALA 186 CO 0.00 -0.09 -0.43 0.37 0.00 0.00 0.00 179.25 179.11 2roq h GLN 187 N 0.66 -0.55 -0.74 0.00 4.15 -1.40 0.28 115.11 117.50 2roq h GLN 187 Ca 0.50 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.99 2roq h GLN 187 Cb 0.75 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.52 2roq h GLN 187 CO -0.38 -0.36 0.49 0.78 -1.93 0.00 0.00 178.83 177.43 2roq h GLY 188 N -0.57 1.04 0.84 2.39 0.00 -0.70 -2.05 103.07 104.03 2roq h GLY 188 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2roq h GLY 188 CO -0.33 0.33 0.01 -2.22 0.00 0.00 0.00 176.54 174.33 2roq h ILE 189 N 0.93 1.25 0.59 2.60 2.04 -0.58 -1.70 117.51 122.63 2roq h ILE 189 Ca 0.29 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2roq h ILE 189 Cb 0.01 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2roq h ILE 189 CO -0.08 0.26 -0.38 0.00 0.00 0.00 0.00 178.15 177.96 2roq h ALA 190 N 0.82 -0.94 -0.94 1.87 0.00 -0.10 -1.62 119.26 118.35 2roq h ALA 190 Ca 0.07 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.92 2roq h ALA 190 Cb 0.38 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2roq h ALA 190 CO 0.01 -1.05 0.60 0.00 0.00 0.00 0.00 179.25 178.81 2roq h ALA 191 N -0.60 1.67 -0.19 0.00 0.00 -1.42 0.60 119.26 119.33 2roq h ALA 191 Ca -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2roq h ALA 191 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2roq h ALA 191 CO 0.06 0.09 -0.07 0.00 0.00 0.00 0.00 179.25 179.33 2roq h ARG 192 N 0.84 0.28 0.35 0.00 -0.00 -0.93 -2.12 114.38 112.81 2roq h ARG 192 Ca 0.46 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.87 2roq h ARG 192 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.51 2roq h ARG 192 CO -0.23 0.37 -0.17 -0.07 0.00 0.00 0.00 179.97 179.87 2roq h LEU 193 N 0.27 -0.40 -1.98 3.04 3.38 0.07 0.32 115.31 120.01 2roq h LEU 193 Ca 0.06 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2roq h LEU 193 Cb 0.31 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2roq h LEU 193 CO 0.01 0.06 0.45 -0.09 0.09 0.00 0.00 178.44 178.96 2roq h ARG 194 N -1.06 0.00 0.00 1.13 2.43 -1.30 0.28 114.38 115.85 2roq h ARG 194 Ca -0.05 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 2roq h ARG 194 Cb 0.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2roq h ARG 194 CO 0.08 0.00 -1.60 0.00 -1.51 0.00 0.00 179.97 176.93 2roq n ALA 195 N -2.39 2.13 0.25 2.80 0.00 -0.80 -4.01 120.51 118.49 2roq n ALA 195 Ca 0.08 -0.61 0.15 0.00 0.00 0.00 0.00 53.44 53.06 2roq n ALA 195 Cb 0.63 -0.83 0.50 0.00 0.00 0.00 0.00 19.45 19.75 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 0.33 -3.46 114.38 113.72 2roq h ARG 196 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2roq h ARG 196 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 2roq h ARG 196 CO 0.03 0.04 0.00 0.41 0.56 0.00 0.00 179.97 181.01 2roq n GLY 197 N 0.38 0.92 3.78 0.04 0.00 -0.69 -5.06 105.19 104.56 2roq n GLY 197 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.17 2.56 -0.08 1.61 0.41 -0.85 -5.02 118.70 117.16 2roq s GLU 198 Ca 0.00 -1.38 0.04 0.00 -0.41 0.00 0.00 54.97 53.22 2roq s GLU 198 Cb 0.00 -2.33 -0.01 0.00 -1.78 0.00 0.00 34.13 30.01 2roq s GLU 198 CO 0.00 0.16 -0.23 -1.14 -0.49 0.00 0.00 175.26 173.57 2roq s GLN 199 N -3.88 2.86 0.08 1.61 0.74 -1.26 -3.07 119.66 116.74 2roq s GLN 199 Ca 0.38 -0.86 -0.27 0.00 0.05 0.00 0.00 55.36 54.66 2roq s GLN 199 Cb -0.05 -2.29 -0.06 0.00 1.10 0.00 0.00 33.01 31.72 2roq s GLN 199 CO 0.24 0.29 0.85 0.14 -0.55 0.00 0.00 175.29 176.26 2roq s VAL 200 N 0.08 4.60 -0.11 1.34 -7.23 -1.26 -4.44 120.40 113.38 2roq s VAL 200 Ca -0.10 1.82 0.12 0.00 -1.81 0.00 0.00 61.98 62.01 2roq s VAL 200 Cb -0.16 -4.20 -0.17 0.00 0.56 0.00 0.00 36.38 32.41 2roq s VAL 200 CO 0.06 0.36 0.09 0.00 -0.31 0.00 0.00 175.10 175.30 2roq n ALA 201 N 2.68 1.83 -3.48 1.32 0.00 -1.26 -4.74 120.51 116.86 2roq n ALA 201 Ca -0.01 -0.78 -0.18 0.00 0.00 0.00 0.00 53.44 52.47 2roq n ALA 201 Cb 0.50 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.71 2roq n ALA 201 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2roq s PHE 202 N -2.44 -0.32 -0.55 0.00 0.08 -1.21 -4.84 117.98 108.69 2roq s PHE 202 Ca -0.06 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.25 2roq s PHE 202 Cb 0.05 -0.34 0.14 0.00 -0.57 0.00 0.00 43.02 42.30 2roq s PHE 202 CO 0.55 -0.62 0.32 -0.51 -0.10 0.00 0.00 175.22 174.87 2roq s LEU 203 N 2.34 4.72 0.01 -0.37 1.43 -1.22 -1.22 118.68 124.38 2roq s LEU 203 Ca 0.07 -2.90 -0.30 0.00 -1.03 0.00 0.00 54.13 49.97 2roq s LEU 203 Cb -0.16 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2roq s LEU 203 CO -0.13 -0.30 1.09 -0.83 0.23 0.00 0.00 176.35 176.41 2roq s GLY 204 N 0.19 2.60 -0.04 -3.19 0.00 0.86 -2.90 107.32 104.84 2roq s GLY 204 Ca 0.17 0.66 -0.02 0.00 0.00 0.00 0.00 44.72 45.53 2roq s GLY 204 CO -0.02 1.89 0.05 1.08 0.00 0.00 0.00 173.10 176.11 2roq s LEU 205 N 1.19 0.23 -0.21 0.66 1.02 -1.18 -1.35 118.68 119.04 2roq s LEU 205 Ca 0.55 0.06 -0.07 0.00 0.02 0.00 0.00 54.13 54.69 2roq s LEU 205 Cb -0.25 -0.17 -0.04 0.00 0.02 0.00 0.00 46.19 45.76 2roq s LEU 205 CO 0.27 -0.24 0.07 -0.22 0.02 0.00 0.00 176.35 176.25 2roq s LEU 206 N 2.10 3.69 -0.97 1.79 2.96 -1.13 -3.19 118.68 123.93 2roq s LEU 206 Ca 0.04 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.82 2roq s LEU 206 Cb -0.12 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 2roq s LEU 206 CO -0.03 0.10 0.73 0.47 -1.32 0.00 0.00 176.35 176.29 2roq n ASP 207 N 4.06 -5.79 -0.04 3.68 9.92 -1.16 -3.53 116.55 123.69 2roq n ASP 207 Ca -0.16 -0.79 -0.04 0.00 -0.53 0.00 0.00 54.79 53.26 2roq n ASP 207 Cb 0.52 -3.40 -0.05 0.00 -0.64 0.00 0.00 41.12 37.55 2roq n ASP 207 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2roq n THR 208 N -3.26 0.45 -4.54 -3.53 5.66 -1.26 -4.54 114.28 103.27 2roq n THR 208 Ca -0.13 -0.24 -0.33 0.00 -3.05 0.00 0.00 64.05 60.31 2roq n THR 208 Cb 0.60 -0.81 -0.11 0.00 -1.55 0.00 0.00 70.33 68.45 2roq n THR 208 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2roq s TRP 209 N -2.16 2.93 0.97 1.09 0.51 -1.26 -4.84 118.94 116.19 2roq s TRP 209 Ca -0.06 0.01 -0.12 0.00 -2.12 0.00 0.00 56.10 53.81 2roq s TRP 209 Cb 0.02 -1.67 0.17 0.00 -0.81 0.00 0.00 33.47 31.18 2roq s TRP 209 CO 0.23 0.36 1.09 -1.25 -0.51 0.00 0.00 176.95 176.88 2roq s PRO 210 N -1.09 0.66 0.00 4.98 0.04 -1.26 -4.80 135.00 133.53 2roq s PRO 210 Ca 0.15 0.61 0.14 0.00 0.04 0.00 0.00 61.00 61.94 2roq s PRO 210 Cb -0.11 -1.76 0.65 0.00 0.04 0.00 0.00 34.50 33.32 2roq s PRO 210 CO 0.04 -2.60 1.44 -0.35 0.04 0.00 0.00 177.00 175.57 2roq n PRO 211 N -4.10 0.06 0.00 0.56 -0.04 -1.26 -4.46 135.00 125.76 2roq n PRO 211 Ca 0.06 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2roq n PRO 211 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2roq n PRO 211 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roq n GLU 212 N -1.43 0.00 -3.63 0.54 2.13 -1.26 -4.64 120.64 112.34 2roq n GLU 212 Ca 0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.83 2roq n GLU 212 Cb 0.15 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.85 2roq n GLU 212 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2roq s THR 213 N -1.43 0.00 -0.08 6.31 -4.23 -1.26 -5.12 115.64 109.82 2roq s THR 213 Ca 0.00 -0.27 -0.36 0.00 -1.18 0.00 0.00 61.69 59.87 2roq s THR 213 Cb 0.00 -1.62 -0.14 0.00 1.34 0.00 0.00 72.50 72.08 2roq s THR 213 CO 0.00 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 175.78 2roq n GLN 214 N -0.36 1.68 0.00 3.99 6.02 -1.26 -4.73 117.38 122.72 2roq n GLN 214 Ca -0.06 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2roq n GLN 214 Cb 0.61 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.51 2roq n GLN 214 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2roq n ASN 215 N 5.03 0.00 0.01 1.08 5.03 -1.26 -4.81 115.26 120.33 2roq n ASN 215 Ca 0.22 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.78 2roq n ASN 215 Cb 0.22 -0.15 -0.12 0.00 -1.02 0.00 0.00 39.78 38.71 2roq n ASN 215 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 2roq n TRP 216 N -1.82 0.12 0.33 3.10 4.27 -1.26 -4.20 117.44 117.98 2roq n TRP 216 Ca 0.00 0.03 0.21 0.00 -3.89 0.00 0.00 57.50 53.85 2roq n TRP 216 Cb 0.00 -0.43 1.12 0.00 -1.36 0.00 0.00 31.31 30.64 2roq n TRP 216 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2roq h GLN 217 N 0.00 0.00 0.00 -2.67 4.20 -1.96 0.35 115.11 115.02 2roq h GLN 217 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2roq h GLN 217 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2roq h GLN 217 CO 0.00 0.00 -1.36 -1.91 -0.67 0.00 0.00 178.83 174.89 2roq n GLU 218 N -3.24 0.46 -2.73 1.46 4.07 -1.26 -4.18 120.64 115.22 2roq n GLU 218 Ca -0.03 -0.05 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 2roq n GLU 218 Cb 0.11 -1.61 0.02 0.00 -0.06 0.00 0.00 31.44 29.90 2roq n GLU 218 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2roq n LYS 219 N -2.18 1.37 0.32 5.31 5.02 0.25 -4.90 118.16 123.35 2roq n LYS 219 Ca -0.00 -3.42 0.20 0.00 -2.02 0.00 0.00 58.31 53.06 2roq n LYS 219 Cb 0.50 -1.43 1.04 0.00 -0.02 0.00 0.00 35.03 35.12 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 2.96 0.00 -0.16 1.97 -0.00 -0.66 0.17 114.58 118.85 2roq h GLU 220 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2roq h GLU 220 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.86 2roq h GLU 220 CO 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.55 2roq n ALA 221 N -2.09 2.16 -2.73 1.06 0.00 -1.26 -4.17 120.51 113.47 2roq n ALA 221 Ca -0.02 -1.26 -0.02 0.00 0.00 0.00 0.00 53.44 52.14 2roq n ALA 221 Cb 0.19 -0.26 0.10 0.00 0.00 0.00 0.00 19.45 19.48 2roq n ALA 221 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2roq n ASN 222 N -0.13 -0.26 0.00 0.00 2.85 0.38 -4.92 115.26 113.17 2roq n ASN 222 Ca 0.07 -2.19 0.00 0.00 -0.11 0.00 0.00 54.58 52.36 2roq n ASN 222 Cb 0.39 0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.64 2roq n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roq n GLY 223 N -1.08 0.05 3.59 8.20 0.00 0.01 -4.84 105.19 111.12 2roq n GLY 223 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2roq n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2roq s LEU 224 N 0.00 3.45 0.53 0.99 1.43 -1.12 -4.96 118.68 118.99 2roq s LEU 224 Ca 0.00 1.51 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 2roq s LEU 224 Cb 0.00 -3.33 -0.07 0.00 0.03 0.00 0.00 46.19 42.82 2roq s LEU 224 CO 0.00 -2.02 1.03 -1.81 0.23 0.00 0.00 176.35 173.78 2roq s ASP 225 N 8.08 6.20 0.00 2.29 1.01 -1.26 -4.92 116.67 128.07 2roq s ASP 225 Ca 0.92 1.81 0.15 0.00 0.71 0.00 0.00 52.55 56.14 2roq s ASP 225 Cb -0.26 -2.54 0.86 0.00 1.01 0.00 0.00 42.92 41.99 2roq s ASP 225 CO 0.33 -0.88 1.37 -0.81 0.21 0.00 0.00 175.17 175.38 2roq n PRO 226 N -1.47 0.38 0.06 8.23 -0.04 -1.26 -2.84 135.00 138.07 2roq n PRO 226 Ca 0.08 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 2roq n PRO 226 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2roq n PRO 226 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2roq h GLU 227 N 0.00 0.56 0.10 0.54 -0.00 -1.98 -2.26 114.58 111.54 2roq h GLU 227 Ca 0.00 -0.69 -0.26 0.00 -0.00 0.00 0.00 59.36 58.40 2roq h GLU 227 Cb 0.05 0.22 0.00 0.00 -0.00 0.00 0.00 28.75 29.02 2roq h GLU 227 CO 0.00 1.29 -1.18 -0.24 -0.00 0.00 0.00 179.01 178.88 2roq h VAL 228 N 0.14 1.50 -0.34 -1.06 3.04 -1.92 -2.69 116.25 114.93 2roq h VAL 228 Ca -0.15 -3.00 -0.12 0.00 -1.01 0.00 0.00 66.70 62.43 2roq h VAL 228 Cb 1.70 2.86 -0.01 0.00 -2.01 0.00 0.00 31.29 33.83 2roq h VAL 228 CO 0.19 0.88 -0.26 -0.07 -1.01 0.00 0.00 177.57 177.30 2roq h LEU 229 N 0.09 0.81 -0.92 3.16 3.38 -1.66 -2.11 115.31 118.06 2roq h LEU 229 Ca -0.12 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.32 2roq h LEU 229 Cb 1.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2roq h LEU 229 CO 0.19 1.09 -0.42 0.00 0.09 0.00 0.00 178.44 179.39 2roq h ALA 230 N 0.75 1.01 0.17 1.53 0.00 -1.50 -1.94 119.26 119.28 2roq h ALA 230 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2roq h ALA 230 Cb 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 230 CO 0.07 0.52 -0.08 0.93 0.00 0.00 0.00 179.25 180.69 2roq h GLU 231 N 0.00 -0.22 -0.22 0.00 4.39 -1.34 -2.05 114.58 115.14 2roq h GLU 231 Ca -0.00 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2roq h GLU 231 Cb 0.92 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2roq h GLU 231 CO 0.05 0.21 -0.09 -0.84 -1.16 0.00 0.00 179.01 177.18 2roq h ILE 232 N -0.83 1.19 -0.19 3.13 3.07 -1.43 -2.01 117.51 120.44 2roq h ILE 232 Ca -0.02 -0.81 -0.13 0.00 1.55 0.00 0.00 64.86 65.45 2roq h ILE 232 Cb 0.53 1.12 -0.01 0.00 -0.27 0.00 0.00 36.82 38.19 2roq h ILE 232 CO 0.04 0.26 -0.43 -1.13 -1.05 0.00 0.00 178.15 175.84 2roq h ASN 233 N 0.34 0.49 1.06 2.16 -0.73 -1.40 -2.09 115.58 115.41 2roq h ASN 233 Ca 0.07 -0.22 -0.09 0.00 1.87 0.00 0.00 56.30 57.92 2roq h ASN 233 Cb 0.37 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2roq h ASN 233 CO 0.02 0.86 -0.45 0.03 -0.37 0.00 0.00 177.43 177.52 2roq h ARG 234 N 0.38 0.00 0.09 6.67 3.08 -0.89 -2.04 114.38 121.67 2roq h ARG 234 Ca 0.03 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.80 2roq h ARG 234 Cb 0.91 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.99 2roq h ARG 234 CO 0.08 0.45 -1.14 0.93 -1.07 0.00 0.00 179.97 179.22 2roq h GLU 235 N 0.00 0.61 0.00 0.04 5.08 -1.15 -1.45 114.58 117.70 2roq h GLU 235 Ca -0.00 -0.78 -0.11 0.00 -1.00 0.00 0.00 59.36 57.47 2roq h GLU 235 Cb 1.10 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2roq h GLU 235 CO 0.06 1.35 -0.53 0.07 -1.00 0.00 0.00 179.01 178.96 2roq h ARG 236 N 0.23 0.00 0.00 2.33 0.11 -1.39 -2.08 114.38 113.57 2roq h ARG 236 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 2roq h ARG 236 Cb 1.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.90 2roq h ARG 236 CO 0.22 0.53 -0.70 1.05 0.10 0.00 0.00 179.97 181.17 2roq h GLU 237 N 0.00 0.00 0.00 0.08 -0.00 -1.42 -2.12 114.58 111.12 2roq h GLU 237 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.30 2roq h GLU 237 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.89 2roq h GLU 237 CO 0.07 0.00 -1.30 0.00 -0.00 0.00 0.00 179.01 177.78 2roq n ALA 238 N -2.01 2.37 -0.12 1.06 0.00 -0.55 -3.72 120.51 117.53 2roq n ALA 238 Ca 0.02 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 2roq n ALA 238 Cb 0.50 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.28 0.00 -0.00 -0.79 -2.63 117.46 111.33 2roq n PHE 239 Ca -0.04 0.09 0.02 0.00 -0.00 0.00 0.00 57.45 57.51 2roq n PHE 239 Cb 0.65 -1.03 0.15 0.00 -0.00 0.00 0.00 39.48 39.25 2roq n PHE 239 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2roq h LEU 240 N -0.68 0.65 0.00 -2.13 7.12 -1.59 -3.28 115.31 115.41 2roq h LEU 240 Ca -0.60 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.45 2roq h LEU 240 Cb 1.67 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2roq h LEU 240 CO -0.28 0.39 -0.43 0.00 -0.13 0.00 0.00 178.44 177.99 2roq h ALA 241 N 1.43 0.00 -5.30 1.25 0.00 -1.78 -3.42 119.26 111.44 2roq h ALA 241 Ca 0.37 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 2roq h ALA 241 Cb 0.31 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 2roq h ALA 241 CO -0.23 0.43 -0.40 0.00 0.00 0.00 0.00 179.25 179.05 2roq n ALA 242 N -3.48 -1.02 0.00 0.00 0.00 -1.08 -3.97 120.51 110.96 2roq n ALA 242 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2roq n ALA 242 Cb 0.22 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2roq n ALA 242 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2roq n GLN 243 N -3.24 0.00 -2.71 0.00 0.00 -1.26 -5.05 117.38 105.11 2roq n GLN 243 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.90 2roq n GLN 243 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.81 2roq n GLN 243 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2roq n GLN 244 N -0.26 -1.46 0.00 3.69 7.27 -1.25 -5.04 117.38 120.33 2roq n GLN 244 Ca 0.00 0.74 0.00 0.00 0.07 0.00 0.00 57.00 57.81 2roq n GLN 244 Cb 0.00 -4.56 0.00 0.00 2.41 0.00 0.00 30.24 28.09 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 -1.36 1.85 0.25 1.69 0.00 -1.26 -4.67 105.19 101.70 2roq n GLY 245 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2roq n GLY 245 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2roq h SER 246 N 0.00 0.75 -6.70 1.61 0.02 -2.01 -3.46 113.55 103.76 2roq h SER 246 Ca 0.00 -0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.35 2roq h SER 246 Cb 0.00 -0.19 -0.23 0.00 0.14 0.00 0.00 62.40 62.12 2roq h SER 246 CO 0.00 0.60 -0.81 1.07 -1.14 0.00 0.00 176.83 176.56 2roq n THR 247 N -4.59 -0.56 0.84 -2.27 5.66 -1.26 -4.75 114.28 107.35 2roq n THR 247 Ca 0.04 -0.28 0.05 0.00 -3.05 0.00 0.00 64.05 60.82 2roq n THR 247 Cb 0.07 -0.70 0.15 0.00 -1.55 0.00 0.00 70.33 68.30 2roq n THR 247 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2roq n SER 248 N -2.26 1.95 0.00 1.09 2.88 -1.26 -4.86 113.62 111.15 2roq n SER 248 Ca -0.15 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 2roq n SER 248 Cb 0.52 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2roq n SER 248 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2roq n THR 249 N 0.49 0.00 0.06 2.46 5.66 -1.26 -4.89 114.28 116.80 2roq n THR 249 Ca 0.12 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.09 2roq n THR 249 Cb 0.32 -0.23 -0.01 0.00 -1.55 0.00 0.00 70.33 68.85 2roq n THR 249 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2roq h GLU 250 N 1.53 -0.18 -0.74 1.09 4.57 -1.97 -1.82 114.58 117.06 2roq h GLU 250 Ca 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2roq h GLU 250 Cb 0.11 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2roq h GLU 250 CO 0.00 -0.12 0.42 1.25 -1.18 0.00 0.00 179.01 179.38 2roq h LEU 251 N -0.38 0.91 0.40 1.64 6.46 -1.99 -2.11 115.31 120.24 2roq h LEU 251 Ca -0.02 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2roq h LEU 251 Cb 0.14 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2roq h LEU 251 CO 0.03 0.73 -0.27 -0.26 -0.62 0.00 0.00 178.44 178.06 2roq h PHE 252 N 1.02 -0.71 -0.32 1.25 0.04 -1.97 -1.93 116.94 114.32 2roq h PHE 252 Ca 0.26 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.12 2roq h PHE 252 Cb 0.01 0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2roq h PHE 252 CO -0.00 -0.41 0.24 1.15 -0.60 0.00 0.00 178.31 178.68 2roq h THR 253 N -0.65 0.79 0.42 -1.55 2.02 -1.20 0.38 112.91 113.12 2roq h THR 253 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2roq h THR 253 Cb 0.55 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2roq h THR 253 CO 0.03 0.00 -0.20 0.74 0.37 0.00 0.00 175.52 176.46 2roq h THR 254 N 0.00 0.00 -0.24 3.16 2.02 -0.67 -2.11 112.91 115.07 2roq h THR 254 Ca 0.15 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2roq h THR 254 Cb 0.62 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2roq h THR 254 CO -0.00 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.35 2roq h ILE 255 N -0.78 1.21 -0.61 3.11 2.04 -1.16 0.02 117.51 121.35 2roq h ILE 255 Ca -0.06 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.23 2roq h ILE 255 Cb 0.43 1.21 -0.10 0.00 -0.74 0.00 0.00 36.82 37.62 2roq h ILE 255 CO 0.09 0.22 0.04 -0.08 0.00 0.00 0.00 178.15 178.42 2roq h GLU 256 N 0.21 0.15 -0.00 2.37 4.81 -0.36 0.14 114.58 121.91 2roq h GLU 256 Ca 0.08 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 2roq h GLU 256 Cb 0.28 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2roq h GLU 256 CO 0.00 0.10 -0.79 0.78 -0.73 0.00 0.00 179.01 178.37 2roq h GLY 257 N 0.15 0.04 0.72 1.92 0.00 -1.27 -2.14 103.07 102.50 2roq h GLY 257 Ca 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2roq h GLY 257 CO -0.49 0.05 -0.09 3.43 0.00 0.00 0.00 176.54 179.44 2roq h ASN 258 N 0.02 -0.22 0.04 0.19 4.21 0.61 -1.99 115.58 118.45 2roq h ASN 258 Ca -0.01 -0.20 -0.11 0.00 1.21 0.00 0.00 56.30 57.19 2roq h ASN 258 Cb 1.40 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.64 2roq h ASN 258 CO 0.11 0.09 -0.36 0.10 -1.29 0.00 0.00 177.43 176.07 2roq h TYR 259 N -0.54 0.50 -0.08 1.19 -0.00 -0.86 -2.08 116.97 115.10 2roq h TYR 259 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 58.73 58.57 2roq h TYR 259 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 37.02 2roq h TYR 259 CO 0.02 0.74 0.05 0.00 -0.00 0.00 0.00 178.16 178.97 2roq h ALA 260 N 1.25 0.10 -0.32 0.10 0.00 -1.34 0.31 119.26 119.37 2roq h ALA 260 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2roq h ALA 260 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2roq h ALA 260 CO 0.06 -0.41 -0.28 -0.44 0.00 0.00 0.00 179.25 178.18 2roq h ASP 261 N 0.11 0.67 -0.26 0.00 3.32 -1.31 -0.82 116.42 118.13 2roq h ASP 261 Ca 0.03 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 2roq h ASP 261 Cb -0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2roq h ASP 261 CO -0.01 0.92 -0.09 0.00 -1.72 0.00 0.00 179.24 178.34 2roq h ALA 262 N 1.13 0.36 0.00 3.45 0.00 -1.07 0.58 119.26 123.71 2roq h ALA 262 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2roq h ALA 262 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2roq h ALA 262 CO 0.06 0.19 0.00 1.55 0.00 0.00 0.00 179.25 181.06 2roq n VAL 263 N -4.51 0.28 0.03 0.00 3.14 0.11 -1.67 118.33 115.71 2roq n VAL 263 Ca -0.04 0.07 0.08 0.00 -2.96 0.00 0.00 64.34 61.49 2roq n VAL 263 Cb 0.33 -0.64 -0.12 0.00 -1.06 0.00 0.00 33.84 32.35 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 -1.50 0.55 -0.00 1.45 0.63 -0.32 -4.39 116.66 113.07 2roq n ARG 264 Ca 0.06 -0.14 0.10 0.00 -0.92 0.00 0.00 57.85 56.95 2roq n ARG 264 Cb 0.29 -1.37 -0.11 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 -2.02 0.97 0.09 6.15 -0.00 0.20 -4.21 117.00 118.19 2roq n LEU 265 Ca -0.03 -0.48 0.08 0.00 -0.00 0.00 0.00 56.01 55.59 2roq n LEU 265 Cb 0.41 -0.01 0.39 0.00 -0.00 0.00 0.00 43.42 44.20 2roq n LEU 265 CO 0.33 0.24 0.74 0.00 -0.00 0.00 0.00 177.39 178.71 2roq n LEU 266 N -1.51 0.38 0.01 1.47 -0.00 -0.67 -0.40 117.00 116.27 2roq n LEU 266 Ca 0.04 0.64 -0.09 0.00 -0.00 0.00 0.00 56.01 56.60 2roq n LEU 266 Cb 0.33 -0.65 -0.13 0.00 -0.00 0.00 0.00 43.42 42.97 2roq n LEU 266 CO 0.43 -0.66 -0.34 0.00 -0.00 0.00 0.00 177.39 176.82 2roq h THR 267 N 0.00 1.09 0.00 1.47 1.03 -1.73 -3.35 112.91 111.42 2roq h THR 267 Ca 0.00 -2.89 0.00 0.00 -0.01 0.00 0.00 66.41 63.51 2roq h THR 267 Cb 0.12 2.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.76 2roq h THR 267 CO 0.00 0.65 -1.56 0.41 -0.01 0.00 0.00 175.52 175.01 2roq n THR 268 N -3.16 0.23 -1.39 0.00 -1.04 -0.57 -4.97 114.28 103.38 2roq n THR 268 Ca -0.13 -0.49 -0.36 0.00 -2.04 0.00 0.00 64.05 61.03 2roq n THR 268 Cb 1.02 -0.08 0.08 0.00 -1.82 0.00 0.00 70.33 69.53 2roq n THR 268 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2roq n ALA 269 N -2.18 -0.31 -2.03 2.41 0.00 0.46 -4.99 120.51 113.87 2roq n ALA 269 Ca -0.02 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 2roq n ALA 269 Cb 0.55 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.94 2roq n ALA 269 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2roq s HIS 270 N -1.77 3.36 -0.21 0.00 2.46 -1.26 -5.01 115.29 112.86 2roq s HIS 270 Ca 0.73 0.85 -0.29 0.00 0.47 0.00 0.00 55.06 56.82 2roq s HIS 270 Cb -0.36 -2.76 0.14 0.00 -0.13 0.00 0.00 32.58 29.47 2roq s HIS 270 CO 0.50 -0.83 1.09 -1.54 -2.47 0.00 0.00 174.74 171.50 2roq s SER 271 N -4.28 -0.30 -0.02 9.88 1.04 -1.26 -4.72 113.70 114.04 2roq s SER 271 Ca 0.54 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2roq s SER 271 Cb -0.11 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.35 2roq s SER 271 CO 0.48 -0.24 0.00 -0.69 0.98 0.00 0.00 173.24 173.76 2roq s VAL 272 N -0.85 0.12 0.26 5.02 1.01 -1.26 -5.07 120.40 119.63 2roq s VAL 272 Ca 0.01 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2roq s VAL 272 Cb -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 36.09 2roq s VAL 272 CO -0.02 0.10 1.26 -2.16 0.00 0.00 0.00 175.10 174.28 2roq s PRO 273 N 0.68 4.43 0.23 2.72 0.04 -1.26 -4.78 135.00 137.07 2roq s PRO 273 Ca -0.06 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.14 2roq s PRO 273 Cb -0.09 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2roq s PRO 273 CO -0.01 -0.14 -0.18 0.12 0.04 0.00 0.00 177.00 176.83 2roq s PHE 274 N -0.55 2.38 -0.55 0.56 5.36 -1.26 -5.05 117.98 118.86 2roq s PHE 274 Ca 0.52 -0.32 0.05 0.00 -0.96 0.00 0.00 56.93 56.22 2roq s PHE 274 Cb -0.37 -1.10 0.35 0.00 -0.34 0.00 0.00 43.02 41.56 2roq s PHE 274 CO 0.44 0.60 0.95 -0.25 -1.46 0.00 0.00 175.22 175.50 2roq n ASP 275 N -0.25 4.32 0.00 6.13 9.92 -1.26 -4.72 116.55 130.69 2roq n ASP 275 Ca -0.09 -3.65 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 2roq n ASP 275 Cb 0.58 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 2roq n ASP 275 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2roq n GLY 276 N -0.24 4.48 2.97 0.44 0.00 -1.26 -4.85 105.19 106.72 2roq n GLY 276 Ca 0.31 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2roq n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roq s LYS 277 N 4.74 1.89 0.14 1.61 1.02 -1.26 -3.20 119.74 124.68 2roq s LYS 277 Ca 0.00 -0.69 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 2roq s LYS 277 Cb 0.00 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2roq s LYS 277 CO 0.00 -0.39 0.33 0.00 -0.92 0.00 0.00 175.35 174.36 2roq s ALA 278 N 1.49 -0.46 -0.13 5.17 0.00 -1.23 -3.45 121.76 123.15 2roq s ALA 278 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 2roq s ALA 278 Cb -0.15 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2roq s ALA 278 CO -0.08 -0.63 0.24 -0.08 0.00 0.00 0.00 175.76 175.21 2roq s THR 279 N -3.88 5.33 -0.20 0.00 -1.32 -1.14 -3.46 115.64 110.97 2roq s THR 279 Ca 0.09 0.44 -0.03 0.00 -1.21 0.00 0.00 61.69 60.98 2roq s THR 279 Cb 0.03 -3.56 -0.01 0.00 -1.51 0.00 0.00 72.50 67.45 2roq s THR 279 CO -0.07 0.49 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.55 2roq s LEU 280 N -0.18 2.86 -0.12 9.08 1.98 -1.22 -3.11 118.68 127.97 2roq s LEU 280 Ca 0.16 -0.37 -0.03 0.00 -2.89 0.00 0.00 54.13 50.99 2roq s LEU 280 Cb -0.13 -1.71 -0.03 0.00 0.66 0.00 0.00 46.19 44.98 2roq s LEU 280 CO 0.04 0.03 0.01 -0.36 -1.89 0.00 0.00 176.35 174.18 2roq s PHE 281 N 1.19 3.17 -0.05 5.38 0.08 -1.19 -2.26 117.98 124.30 2roq s PHE 281 Ca 0.02 0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.22 2roq s PHE 281 Cb -0.14 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 2roq s PHE 281 CO -0.02 0.32 -0.24 0.14 -0.10 0.00 0.00 175.22 175.32 2roq s VAL 282 N -0.41 2.16 -1.06 -0.44 -7.23 -1.20 -3.01 120.40 109.20 2roq s VAL 282 Ca 0.08 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 2roq s VAL 282 Cb -0.12 -1.78 0.18 0.00 0.56 0.00 0.00 36.38 35.22 2roq s VAL 282 CO 0.02 0.57 1.21 0.00 -0.31 0.00 0.00 175.10 176.59 2roq s ALA 283 N -0.34 3.92 0.47 1.32 0.00 -1.26 -3.46 121.76 122.40 2roq s ALA 283 Ca 0.02 -3.24 0.18 0.00 0.00 0.00 0.00 51.96 48.92 2roq s ALA 283 Cb -0.12 -3.95 1.16 0.00 0.00 0.00 0.00 23.12 20.20 2roq s ALA 283 CO 0.02 -2.70 1.98 1.49 0.00 0.00 0.00 175.76 176.55 2roq h GLU 284 N 7.69 0.26 0.00 0.00 4.81 -1.62 0.24 114.58 125.97 2roq h GLU 284 Ca 0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2roq h GLU 284 Cb 0.94 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2roq h GLU 284 CO 1.11 0.17 0.00 0.00 -0.73 0.00 0.00 179.01 179.56 2roq h ARG 285 N 0.27 0.00 -0.03 1.92 3.08 -1.75 -1.22 114.38 116.64 2roq h ARG 285 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2roq h ARG 285 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2roq h ARG 285 CO -0.06 0.00 -0.20 2.41 -1.07 0.00 0.00 179.97 181.05 2roq n THR 286 N -2.57 2.08 -1.69 2.04 -1.04 0.83 -4.94 114.28 108.99 2roq n THR 286 Ca -0.01 -2.66 -0.54 0.00 -2.04 0.00 0.00 64.05 58.79 2roq n THR 286 Cb 0.10 -0.25 -0.06 0.00 -1.82 0.00 0.00 70.33 68.30 2roq n THR 286 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2roq n LEU 287 N -1.25 2.64 -0.02 -4.42 4.77 -0.46 -4.90 117.00 113.36 2roq n LEU 287 Ca 0.18 1.05 -0.01 0.00 -0.03 0.00 0.00 56.01 57.20 2roq n LEU 287 Cb 0.70 -1.21 -0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2roq n LEU 287 CO 0.01 -0.37 -0.11 -0.61 -1.33 0.00 0.00 177.39 174.98 2roq h GLN 288 N 7.53 0.00 0.00 3.23 5.75 -1.91 -3.45 115.11 126.27 2roq h GLN 288 Ca -0.47 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 57.93 2roq h GLN 288 Cb 1.31 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.64 2roq h GLN 288 CO 0.94 0.00 -0.79 -1.91 -2.65 0.00 0.00 178.83 174.42 2roq n GLU 289 N -3.03 0.70 -0.01 1.69 2.13 -1.26 -4.76 120.64 116.11 2roq n GLU 289 Ca -0.02 -2.57 0.08 0.00 0.66 0.00 0.00 57.16 55.32 2roq n GLU 289 Cb 0.08 -0.72 -0.13 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.22 -0.75 3.60 8.31 0.00 -1.26 -4.93 105.19 109.93 2roq n GLY 290 Ca 0.12 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.11 3.07 -0.26 1.61 0.23 -1.26 -4.87 119.30 114.70 2roq s MET 291 Ca -0.05 1.82 -0.38 0.00 -1.03 0.00 0.00 55.69 56.05 2roq s MET 291 Cb 0.11 -4.35 0.15 0.00 -1.53 0.00 0.00 34.83 29.21 2roq s MET 291 CO 0.70 -2.17 1.37 -1.54 -2.03 0.00 0.00 175.02 171.35 2roq s SER 292 N 8.16 -0.03 -1.09 -1.18 1.04 -1.26 -5.08 113.70 114.27 2roq s SER 292 Ca 0.95 -0.00 -0.23 0.00 0.48 0.00 0.00 55.95 57.15 2roq s SER 292 Cb -0.29 0.03 -0.07 0.00 0.10 0.00 0.00 66.02 65.78 2roq s SER 292 CO 0.34 -0.05 1.94 -2.16 0.98 0.00 0.00 173.24 174.29 2roq s PRO 293 N -2.08 2.51 0.24 4.02 0.04 -1.26 -4.82 135.00 133.65 2roq s PRO 293 Ca 0.12 -0.87 -0.08 0.00 0.04 0.00 0.00 61.00 60.21 2roq s PRO 293 Cb -0.00 -5.18 0.03 0.00 0.04 0.00 0.00 34.50 29.39 2roq s PRO 293 CO -0.03 -3.78 0.46 0.39 0.04 0.00 0.00 177.00 174.08 2roq n GLU 294 N 8.48 0.66 -4.37 4.56 1.02 -1.26 -5.19 120.64 124.53 2roq n GLU 294 Ca 0.43 -1.43 -0.21 0.00 -0.02 0.00 0.00 57.16 55.93 2roq n GLU 294 Cb 0.47 1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 33.51 2roq n GLU 294 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2roq s ARG 295 N -2.12 1.76 -0.19 3.49 1.70 -1.26 -5.15 118.95 117.17 2roq s ARG 295 Ca 0.11 -2.04 -0.04 0.00 -0.47 0.00 0.00 55.73 53.29 2roq s ARG 295 Cb -0.03 -0.07 0.07 0.00 -0.57 0.00 0.00 34.95 34.35 2roq s ARG 295 CO 0.08 -0.55 0.08 0.00 -1.08 0.00 0.00 175.30 173.84 2roq s ALA 296 N -3.43 0.60 0.43 7.88 0.00 -1.26 -5.14 121.76 120.85 2roq s ALA 296 Ca 0.34 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2roq s ALA 296 Cb 0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2roq s ALA 296 CO 0.21 -1.25 0.07 -0.46 0.00 0.00 0.00 175.76 174.33 2roq s TRP 297 N 2.06 1.87 0.54 0.00 -0.00 -1.26 -5.04 118.94 117.12 2roq s TRP 297 Ca 0.03 -1.10 0.00 0.00 -0.00 0.00 0.00 56.10 55.02 2roq s TRP 297 Cb -0.16 -1.36 0.00 0.00 -0.00 0.00 0.00 33.47 31.95 2roq s TRP 297 CO -0.13 -0.04 0.00 0.43 -0.00 0.00 0.00 176.95 177.21 2roq n SER 298 N -1.21 -6.90 -4.69 5.86 7.64 -1.26 -4.91 113.62 108.14 2roq n SER 298 Ca -0.10 1.25 -0.29 0.00 1.01 0.00 0.00 58.87 60.74 2roq n SER 298 Cb 0.66 -4.32 0.17 0.00 -1.01 0.00 0.00 64.21 59.70 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 -4.06 0.66 -0.09 1.43 0.04 -1.26 -4.95 135.00 126.76 2roq s PRO 299 Ca 0.00 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 2roq s PRO 299 Cb 0.00 -1.76 -0.28 0.00 0.04 0.00 0.00 34.50 32.50 2roq s PRO 299 CO 0.00 -2.60 0.70 2.35 0.04 0.00 0.00 177.00 177.49 2roq h TRP 300 N -1.80 0.38 0.00 0.56 7.01 -1.91 -3.47 115.95 116.72 2roq h TRP 300 Ca -0.53 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 60.19 2roq h TRP 300 Cb 1.32 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 2roq h TRP 300 CO 0.33 1.37 0.00 1.51 -2.79 0.00 0.00 178.44 178.86 2roq n ILE 301 N -4.15 0.21 -0.00 2.65 3.06 -1.26 -5.05 119.36 114.82 2roq n ILE 301 Ca -0.19 0.07 -0.02 0.00 -2.50 0.00 0.00 62.75 60.12 2roq n ILE 301 Cb 0.79 -0.68 -0.01 0.00 0.54 0.00 0.00 39.64 40.28 2roq n ILE 301 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2roq n ALA 302 N -3.47 1.94 -3.44 1.51 0.00 -1.26 -5.08 120.51 110.71 2roq n ALA 302 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.24 2roq n ALA 302 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.65 0.36 0.27 0.00 -6.30 -1.19 -4.86 118.70 105.33 2roq s GLU 303 Ca -0.06 0.89 -0.21 0.00 -2.50 0.00 0.00 54.97 53.10 2roq s GLU 303 Cb 0.01 0.54 0.02 0.00 0.00 0.00 0.00 34.13 34.70 2roq s GLU 303 CO 0.08 -0.15 0.70 -0.48 0.02 0.00 0.00 175.26 175.44 2roq s LEU 304 N 2.60 -0.28 -0.35 2.70 0.05 -1.26 -3.48 118.68 118.66 2roq s LEU 304 Ca -0.02 -0.56 0.02 0.00 0.05 0.00 0.00 54.13 53.62 2roq s LEU 304 Cb -0.08 2.70 0.11 0.00 -2.05 0.00 0.00 46.19 46.87 2roq s LEU 304 CO -0.18 -1.31 0.10 -0.62 -0.55 0.00 0.00 176.35 173.79 2roq s ASP 305 N -2.91 4.44 0.01 1.48 -1.08 -1.22 -4.65 116.67 112.74 2roq s ASP 305 Ca 0.10 -2.12 -0.29 0.00 -0.52 0.00 0.00 52.55 49.73 2roq s ASP 305 Cb -0.05 -1.37 -0.04 0.00 -1.46 0.00 0.00 42.92 40.00 2roq s ASP 305 CO 0.05 -0.37 0.92 -0.63 0.52 0.00 0.00 175.17 175.67 2roq s ILE 306 N 0.96 4.84 -0.17 4.11 1.01 -1.26 -3.38 121.20 127.31 2roq s ILE 306 Ca 0.12 1.95 0.01 0.00 0.00 0.00 0.00 60.65 62.72 2roq s ILE 306 Cb -0.19 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.02 2roq s ILE 306 CO -0.12 0.21 -0.18 -0.47 0.00 0.00 0.00 174.94 174.37 2roq s TYR 307 N 0.79 2.77 -0.25 3.97 5.04 -0.96 -5.01 117.35 123.71 2roq s TYR 307 Ca 0.48 -1.44 -0.22 0.00 -2.44 0.00 0.00 57.07 53.45 2roq s TYR 307 Cb -0.21 -1.91 -0.01 0.00 0.35 0.00 0.00 41.96 40.18 2roq s TYR 307 CO 0.27 -0.70 0.73 -0.98 -1.34 0.00 0.00 175.55 173.52 2roq s ARG 308 N 1.15 4.15 -0.15 4.97 1.70 -1.26 -3.25 118.95 126.26 2roq s ARG 308 Ca 0.01 0.75 -0.06 0.00 -0.47 0.00 0.00 55.73 55.96 2roq s ARG 308 Cb -0.14 -3.64 0.07 0.00 -0.57 0.00 0.00 34.95 30.66 2roq s ARG 308 CO -0.08 -0.46 0.33 -1.14 -1.08 0.00 0.00 175.30 172.87 2roq s GLN 309 N 2.65 0.25 -0.73 3.89 0.74 -1.23 -5.02 119.66 120.22 2roq s GLN 309 Ca 0.31 0.80 -0.26 0.00 0.05 0.00 0.00 55.36 56.26 2roq s GLN 309 Cb -0.15 0.05 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 2roq s GLN 309 CO 0.08 -0.23 2.22 0.16 -0.55 0.00 0.00 175.29 176.97 2roq s ASP 310 N 2.08 4.49 0.34 6.67 -4.77 -1.26 -2.33 116.67 121.89 2roq s ASP 310 Ca -0.03 0.12 -0.06 0.00 -3.30 0.00 0.00 52.55 49.28 2roq s ASP 310 Cb -0.11 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.19 2roq s ASP 310 CO -0.10 -3.19 0.54 0.00 0.70 0.00 0.00 175.17 173.11 2roq s ALA 312 N -3.02 2.14 0.57 0.00 0.00 -1.26 -3.55 121.76 116.63 2roq s ALA 312 Ca 0.26 -1.20 0.28 0.00 0.00 0.00 0.00 51.96 51.31 2roq s ALA 312 Cb -0.01 -0.46 1.49 0.00 0.00 0.00 0.00 23.12 24.13 2roq s ALA 312 CO 0.17 0.51 1.96 1.12 0.00 0.00 0.00 175.76 179.52 2roq h HIS 313 N 4.94 0.00 0.00 0.00 2.07 -1.96 0.36 115.15 120.56 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 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 2roq h HIS 313 CO 0.47 0.00 -1.10 1.33 -3.07 0.00 0.00 177.93 175.56 2roq n VAL 314 N -3.96 0.00 -0.00 6.12 0.24 -1.26 -3.89 118.33 115.57 2roq n VAL 314 Ca 0.08 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.21 2roq n VAL 314 Cb 0.61 0.84 -0.13 0.00 -1.47 0.00 0.00 33.84 33.69 2roq n VAL 314 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2roq h ASP 315 N 0.00 0.00 0.97 -1.34 3.58 -0.83 -3.28 116.42 115.52 2roq h ASP 315 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2roq h ASP 315 Cb 0.54 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2roq h ASP 315 CO 0.00 0.93 -0.16 0.40 -2.88 0.00 0.00 179.24 177.53 2roq h ILE 316 N 0.00 0.40 0.00 2.25 2.04 -0.92 -2.88 117.51 118.40 2roq h ILE 316 Ca -0.23 -0.96 -0.17 0.00 1.00 0.00 0.00 64.86 64.50 2roq h ILE 316 Cb 1.91 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.66 2roq h ILE 316 CO 0.08 0.16 -1.06 -0.29 0.00 0.00 0.00 178.15 177.04 2roq h ILE 317 N 0.00 0.95 -3.69 -0.67 6.09 -1.75 -3.39 117.51 115.04 2roq h ILE 317 Ca -0.00 -2.50 -0.50 0.00 -1.37 0.00 0.00 64.86 60.49 2roq h ILE 317 Cb 0.69 2.40 0.21 0.00 0.47 0.00 0.00 36.82 40.59 2roq h ILE 317 CO 0.02 0.54 -0.14 -1.20 -3.07 0.00 0.00 178.15 174.30 2roq n SER 318 N -3.13 -0.91 0.00 2.19 7.64 -1.09 -4.85 113.62 113.48 2roq n SER 318 Ca -0.05 0.25 0.07 0.00 1.01 0.00 0.00 58.87 60.16 2roq n SER 318 Cb 0.86 -1.32 0.39 0.00 -1.01 0.00 0.00 64.21 63.13 2roq n SER 318 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2roq n PRO 319 N -3.52 0.27 -0.06 1.43 -0.04 -1.26 -3.22 135.00 128.61 2roq n PRO 319 Ca 0.08 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2roq n PRO 319 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2roq n PRO 319 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2roq h GLY 320 N 2.44 -0.01 0.84 0.55 0.00 -1.89 -3.22 103.07 101.80 2roq h GLY 320 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2roq h GLY 320 CO 0.00 -0.00 -0.10 -0.91 0.00 0.00 0.00 176.54 175.53 2roq h THR 321 N -0.93 1.30 -0.62 4.70 1.35 -1.72 -2.08 112.91 114.91 2roq h THR 321 Ca -0.00 -1.15 0.18 0.00 -0.55 0.00 0.00 66.41 64.88 2roq h THR 321 Cb 0.86 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2roq h THR 321 CO 0.00 0.36 0.48 -0.26 -0.25 0.00 0.00 175.52 175.84 2roq h PHE 322 N 0.21 0.00 0.19 4.73 0.04 -1.71 0.29 116.94 120.70 2roq h PHE 322 Ca 0.06 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.50 2roq h PHE 322 Cb 0.59 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.75 2roq h PHE 322 CO 0.06 0.00 -1.55 0.93 -0.60 0.00 0.00 178.31 177.15 2roq h GLU 323 N 0.00 0.40 0.26 1.51 4.39 -1.51 -3.29 114.58 116.35 2roq h GLU 323 Ca 0.29 -0.68 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 2roq h GLU 323 Cb 1.24 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2roq h GLU 323 CO -0.00 1.33 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.83 2roq h LYS 324 N 0.00 -0.34 -2.63 2.33 3.64 -0.41 -3.31 116.57 115.86 2roq h LYS 324 Ca -0.30 0.02 -0.80 0.00 -1.27 0.00 0.00 60.65 58.30 2roq h LYS 324 Cb 2.02 0.08 -0.25 0.00 -0.41 0.00 0.00 32.23 33.67 2roq h LYS 324 CO 0.18 -0.03 1.16 0.44 -2.27 0.00 0.00 179.45 178.93 2roq n ILE 325 N -5.11 5.62 0.00 2.00 -5.35 0.88 -4.75 119.36 112.65 2roq n ILE 325 Ca -0.09 -5.69 0.00 0.00 -0.27 0.00 0.00 62.75 56.70 2roq n ILE 325 Cb 0.25 -1.86 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 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 0.84 -0.36 0.00 3.28 0.00 -1.24 -3.88 105.19 103.84 2roq n GLY 326 Ca 0.40 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.08 0.10 0.06 1.61 -0.04 -1.26 -2.20 135.00 131.19 2roq n PRO 327 Ca 0.00 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 2roq n PRO 327 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.40 0.91 0.21 0.52 -6.64 -1.26 -3.94 119.36 107.76 2roq n ILE 328 Ca 0.05 -0.62 0.06 0.00 -1.77 0.00 0.00 62.75 60.47 2roq n ILE 328 Cb 0.14 -0.54 0.47 0.00 -1.44 0.00 0.00 39.64 38.27 2roq n ILE 328 CO 0.00 0.00 0.00 -0.29 -1.77 0.00 0.00 176.55 174.49 2roq h ILE 329 N 0.00 0.98 0.01 7.28 2.10 -1.55 -0.27 117.51 126.06 2roq h ILE 329 Ca -0.09 -1.05 -0.00 0.00 1.08 0.00 0.00 64.86 64.80 2roq h ILE 329 Cb 1.31 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 2roq h ILE 329 CO 0.02 0.28 -0.00 0.03 -1.08 0.00 0.00 178.15 177.40 2roq h ARG 330 N 0.00 -0.01 -0.17 2.19 3.08 -1.70 -2.11 114.38 115.66 2roq h ARG 330 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2roq h ARG 330 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2roq h ARG 330 CO 0.04 0.67 -0.32 0.00 -1.07 0.00 0.00 179.97 179.28 2roq h ALA 331 N 0.26 1.15 -0.23 0.04 0.00 -1.68 -0.60 119.26 118.19 2roq h ALA 331 Ca -0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2roq h ALA 331 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2roq h ALA 331 CO 0.00 0.55 -0.13 1.15 0.00 0.00 0.00 179.25 180.82 2roq h THR 332 N 0.30 1.31 0.00 0.00 2.02 -1.11 -1.64 112.91 113.79 2roq h THR 332 Ca 0.04 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2roq h THR 332 Cb 0.71 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2roq h THR 332 CO 0.05 0.38 -0.05 -0.07 0.37 0.00 0.00 175.52 176.21 2roq h LEU 333 N 0.22 0.00 0.00 2.58 3.38 -1.29 -2.05 115.31 118.14 2roq h LEU 333 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2roq h LEU 333 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2roq h LEU 333 CO 0.04 0.05 -0.41 -1.13 0.09 0.00 0.00 178.44 177.07 2roq h ASN 334 N 0.00 0.00 0.25 -0.43 -1.24 -0.95 -2.00 115.58 111.21 2roq h ASN 334 Ca -0.00 -0.03 -0.23 0.00 0.71 0.00 0.00 56.30 56.75 2roq h ASN 334 Cb 0.81 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 2roq h ASN 334 CO 0.01 0.01 -1.96 -2.11 -1.29 0.00 0.00 177.43 172.09 2roq n ARG 335 N -2.74 0.66 0.05 6.67 1.85 -0.63 -4.23 116.66 118.29 2roq n ARG 335 Ca 0.03 0.05 0.11 0.00 -1.00 0.00 0.00 57.85 57.04 2roq n ARG 335 Cb 0.51 -1.63 -0.02 0.00 -1.05 0.00 0.00 32.46 30.28 2roq n ARG 335 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2roq n LEU 336 N -2.73 0.60 -0.32 2.89 -0.00 -0.79 -3.30 117.00 113.35 2roq n LEU 336 Ca -0.19 0.15 0.18 0.00 -0.00 0.00 0.00 56.01 56.15 2roq n LEU 336 Cb 0.94 -0.07 0.43 0.00 -0.00 0.00 0.00 43.42 44.73 2roq n LEU 336 CO 0.44 -0.07 1.20 1.05 -0.00 0.00 0.00 177.39 180.01 2roq h GLU 337 N 0.00 0.52 -0.00 1.47 -0.00 -1.53 -1.22 114.58 113.82 2roq h GLU 337 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2roq h GLU 337 Cb 0.90 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.53 2roq h GLU 337 CO 0.00 0.35 -0.37 -2.39 -0.00 0.00 0.00 179.01 176.60 2roq n HIS 338 N -4.70 0.00 -2.68 2.06 1.44 -1.26 -4.91 115.22 105.17 2roq n HIS 338 Ca 0.24 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.92 2roq n HIS 338 Cb 0.74 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.82 2roq n HIS 338 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2roq n HIS 339 N -0.93 -4.02 -2.69 -1.40 8.25 -0.46 -5.03 115.22 108.93 2roq n HIS 339 Ca 0.02 2.15 -0.06 0.00 -0.26 0.00 0.00 57.72 59.58 2roq n HIS 339 Cb 0.16 -3.76 0.10 0.00 1.12 0.00 0.00 29.99 27.62 2roq n HIS 339 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2roq n HIS 340 N 1.40 -1.45 -3.33 4.41 -0.00 -1.23 -5.05 115.22 109.97 2roq n HIS 340 Ca -0.25 -1.32 -0.00 0.00 -0.00 0.00 0.00 57.72 56.15 2roq n HIS 340 Cb 0.40 1.37 -0.03 0.00 -0.00 0.00 0.00 29.99 31.73 2roq n HIS 340 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2roq s HIS 341 N 0.14 -1.36 0.44 1.57 5.04 -1.26 -5.06 115.29 114.80 2roq s HIS 341 Ca 0.21 1.68 -0.07 0.00 -1.54 0.00 0.00 55.06 55.34 2roq s HIS 341 Cb 0.29 0.50 0.10 0.00 0.04 0.00 0.00 32.58 33.52 2roq s HIS 341 CO -0.14 -0.78 0.56 0.72 -2.34 0.00 0.00 174.74 172.76 2roq n HIS 342 N 5.42 -3.90 1.27 3.88 8.25 -1.26 -5.08 115.22 123.80 2roq n HIS 342 Ca -0.04 -0.49 0.10 0.00 -0.26 0.00 0.00 57.72 57.03 2roq n HIS 342 Cb 0.50 -0.45 0.60 0.00 1.12 0.00 0.00 29.99 31.77 2roq n HIS 342 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59