#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of6 s ALA 19 N 0.00 3.76 -0.43 4.61 0.00 -1.26 -5.00 121.76 123.44 1of6 s ALA 19 Ca 0.00 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 1of6 s ALA 19 Cb 0.00 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1of6 s ALA 19 CO 0.00 -0.88 0.33 -1.83 0.00 0.00 0.00 175.76 173.38 1of6 s GLU 20 N 0.11 2.94 0.21 0.00 -1.05 -1.26 -5.05 118.70 114.60 1of6 s GLU 20 Ca 0.65 -1.18 0.07 0.00 -0.15 0.00 0.00 54.97 54.37 1of6 s GLU 20 Cb -0.46 -4.00 -0.05 0.00 -0.44 0.00 0.00 34.13 29.18 1of6 s GLU 20 CO 0.41 -0.87 -0.13 -1.21 0.95 0.00 0.00 175.26 174.42 1of6 s GLU 21 N 1.64 1.35 -1.76 -4.83 2.02 -1.26 -4.84 118.70 111.02 1of6 s GLU 21 Ca 0.04 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1of6 s GLU 21 Cb -0.21 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1of6 s GLU 21 CO 0.08 0.16 0.00 -0.25 0.02 0.00 0.00 175.26 175.27 1of6 n ASP 22 N -0.40 -5.23 0.33 -0.19 8.00 -1.26 -4.87 116.55 112.92 1of6 n ASP 22 Ca -0.08 0.24 0.22 0.00 0.71 0.00 0.00 54.79 55.88 1of6 n ASP 22 Cb 0.61 -4.32 1.16 0.00 -0.02 0.00 0.00 41.12 38.55 1of6 n ASP 22 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1of6 h VAL 23 N 0.00 0.02 0.00 2.53 2.07 -2.00 -2.75 116.25 116.12 1of6 h VAL 23 Ca -0.40 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1of6 h VAL 23 Cb 1.25 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1of6 h VAL 23 CO 0.53 0.00 -0.16 0.54 0.02 0.00 0.00 177.57 178.49 1of6 n ARG 24 N -3.10 1.24 -4.05 1.57 1.74 -1.26 -4.96 116.66 107.84 1of6 n ARG 24 Ca -0.03 -2.63 -0.35 0.00 -0.77 0.00 0.00 57.85 54.08 1of6 n ARG 24 Cb 0.10 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 1of6 n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1of6 s ILE 25 N -2.72 3.48 0.06 0.55 -1.09 -1.04 -5.00 121.20 115.43 1of6 s ILE 25 Ca 0.31 -0.47 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 1of6 s ILE 25 Cb 0.28 -2.57 -0.31 0.00 -1.58 0.00 0.00 42.46 38.29 1of6 s ILE 25 CO 0.00 0.44 1.09 -0.07 -1.23 0.00 0.00 174.94 175.17 1of6 h LEU 26 N 7.80 0.68 -7.19 2.97 4.07 -1.93 -3.48 115.31 118.22 1of6 h LEU 26 Ca -0.38 -0.70 0.39 0.00 0.08 0.00 0.00 57.88 57.27 1of6 h LEU 26 Cb 1.17 -0.22 -0.13 0.00 1.08 0.00 0.00 40.66 42.57 1of6 h LEU 26 CO 0.60 1.53 0.98 -0.83 -1.08 0.00 0.00 178.44 179.64 1of6 s GLY 27 N -4.58 -0.45 -0.21 0.83 0.00 -1.26 -5.12 107.32 96.53 1of6 s GLY 27 Ca -0.07 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.47 1of6 s GLY 27 CO 0.92 1.23 -0.12 -0.19 0.00 0.00 0.00 173.10 174.93 1of6 s TYR 28 N -2.06 2.68 0.05 1.90 1.51 -1.26 -5.14 117.35 115.03 1of6 s TYR 28 Ca 0.18 -1.77 -0.01 0.00 -1.01 0.00 0.00 57.07 54.46 1of6 s TYR 28 Cb 0.06 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1of6 s TYR 28 CO -0.06 -0.79 0.21 -0.51 -1.11 0.00 0.00 175.55 173.30 1of6 s ASP 29 N 1.31 6.37 0.63 2.29 1.01 -1.26 -5.08 116.67 121.94 1of6 s ASP 29 Ca -0.02 0.30 -0.15 0.00 0.71 0.00 0.00 52.55 53.40 1of6 s ASP 29 Cb -0.16 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1of6 s ASP 29 CO -0.08 0.18 1.08 -2.16 0.21 0.00 0.00 175.17 174.39 1of6 s PRO 30 N -2.41 3.07 -0.04 8.23 0.04 -1.26 -5.03 135.00 137.60 1of6 s PRO 30 Ca 0.34 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1of6 s PRO 30 Cb -0.13 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1of6 s PRO 30 CO 0.26 -1.02 -0.16 -1.17 0.04 0.00 0.00 177.00 174.95 1of6 s LEU 31 N -4.76 1.88 0.47 -3.56 2.96 -1.26 -4.89 118.68 109.52 1of6 s LEU 31 Ca 0.64 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 1of6 s LEU 31 Cb -0.17 -0.92 -0.07 0.00 0.50 0.00 0.00 46.19 45.52 1of6 s LEU 31 CO 0.41 0.13 1.14 0.00 -1.32 0.00 0.00 176.35 176.70 1of6 s ALA 32 N 0.13 2.93 0.63 5.97 0.00 -1.26 -4.97 121.76 125.19 1of6 s ALA 32 Ca -0.05 0.87 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 1of6 s ALA 32 Cb -0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1of6 s ALA 32 CO 0.02 -0.60 1.02 -1.54 0.00 0.00 0.00 175.76 174.67 1of6 s SER 33 N -1.49 5.94 0.19 0.00 1.04 -1.26 -4.84 113.70 113.27 1of6 s SER 33 Ca 0.65 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.18 1of6 s SER 33 Cb -0.26 -2.23 0.19 0.00 0.10 0.00 0.00 66.02 63.82 1of6 s SER 33 CO 0.31 -1.01 1.68 -0.65 0.98 0.00 0.00 173.24 174.55 1of6 h PRO 34 N -0.38 0.09 -0.41 4.02 0.11 -1.81 -0.99 132.00 132.64 1of6 h PRO 34 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1of6 h PRO 34 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1of6 h PRO 34 CO 0.62 0.06 -0.04 0.00 -0.21 0.00 0.00 178.00 178.43 1of6 h ALA 35 N 1.46 1.17 -0.51 -0.75 0.00 -1.25 0.15 119.26 119.52 1of6 h ALA 35 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1of6 h ALA 35 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1of6 h ALA 35 CO -0.44 0.54 0.20 1.25 0.00 0.00 0.00 179.25 180.80 1of6 h LEU 36 N 0.63 0.71 -0.62 0.00 5.85 -1.57 -2.31 115.31 118.00 1of6 h LEU 36 Ca 0.12 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1of6 h LEU 36 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1of6 h LEU 36 CO 0.02 0.69 -0.09 0.25 -0.34 0.00 0.00 178.44 178.97 1of6 h LEU 37 N 0.69 0.99 -1.14 2.25 7.12 -0.54 -2.02 115.31 122.66 1of6 h LEU 37 Ca 0.17 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1of6 h LEU 37 Cb 0.20 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1of6 h LEU 37 CO -0.01 1.10 0.00 1.56 -0.13 0.00 0.00 178.44 180.95 1of6 h GLN 38 N 0.89 0.00 0.11 1.25 4.20 -0.60 -0.97 115.11 120.00 1of6 h GLN 38 Ca 0.14 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.51 1of6 h GLN 38 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1of6 h GLN 38 CO 0.04 0.00 -1.86 0.28 -0.67 0.00 0.00 178.83 176.63 1of6 h VAL 39 N 0.00 0.77 -0.06 -0.54 2.07 -1.22 -3.32 116.25 113.95 1of6 h VAL 39 Ca 0.00 -2.48 -0.20 0.00 0.82 0.00 0.00 66.70 64.84 1of6 h VAL 39 Cb 0.52 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1of6 h VAL 39 CO 0.00 0.82 -0.79 1.56 0.02 0.00 0.00 177.57 179.17 1of6 h GLN 40 N 0.06 0.44 -2.79 1.57 4.20 -1.08 -3.32 115.11 114.20 1of6 h GLN 40 Ca -0.37 -0.39 -0.61 0.00 0.06 0.00 0.00 58.65 57.34 1of6 h GLN 40 Cb 2.04 0.09 -0.42 0.00 0.30 0.00 0.00 27.48 29.49 1of6 h GLN 40 CO 0.11 1.03 -0.58 -0.89 -0.67 0.00 0.00 178.83 177.83 1of6 n ILE 41 N -3.82 1.86 -2.09 2.54 5.41 -0.39 -5.10 119.36 117.77 1of6 n ILE 41 Ca -0.05 -4.98 -0.37 0.00 1.00 0.00 0.00 62.75 58.35 1of6 n ILE 41 Cb 0.75 -2.16 0.01 0.00 -0.71 0.00 0.00 39.64 37.53 1of6 n ILE 41 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1of6 s PRO 42 N -1.79 3.42 0.49 0.38 0.02 -1.25 -4.68 135.00 131.58 1of6 s PRO 42 Ca 0.30 1.89 -0.20 0.00 0.02 0.00 0.00 61.00 63.01 1of6 s PRO 42 Cb 0.02 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1of6 s PRO 42 CO -0.12 -0.87 1.04 0.00 -0.33 0.00 0.00 177.00 176.72 1of6 s ALA 43 N -1.51 2.87 0.34 -1.55 0.00 -1.26 -5.02 121.76 115.63 1of6 s ALA 43 Ca 0.69 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 1of6 s ALA 43 Cb -0.32 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1of6 s ALA 43 CO 0.37 -0.32 0.59 0.95 0.00 0.00 0.00 175.76 177.35 1of6 s THR 44 N -2.01 5.04 0.31 0.00 -4.23 -1.26 -4.93 115.64 108.56 1of6 s THR 44 Ca 0.67 -0.12 0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1of6 s THR 44 Cb -0.16 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.19 1of6 s THR 44 CO 0.20 -0.49 1.68 -0.65 -0.54 0.00 0.00 174.62 174.82 1of6 h PRO 45 N 1.11 0.36 -0.22 3.99 0.11 -1.99 0.31 132.00 135.67 1of6 h PRO 45 Ca -0.48 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 1of6 h PRO 45 Cb 1.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1of6 h PRO 45 CO 0.64 0.24 -0.60 1.15 -0.21 0.00 0.00 178.00 179.21 1of6 h THR 46 N 0.37 1.30 -0.86 -1.15 2.02 -1.91 -0.60 112.91 112.07 1of6 h THR 46 Ca 0.64 -1.83 0.01 0.00 0.77 0.00 0.00 66.41 66.01 1of6 h THR 46 Cb 1.33 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 69.46 1of6 h THR 46 CO -0.57 0.58 0.57 0.28 0.37 0.00 0.00 175.52 176.75 1of6 h SER 47 N 0.55 0.97 -0.07 4.18 0.02 -0.62 -1.40 113.55 117.18 1of6 h SER 47 Ca -0.00 -0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.68 1of6 h SER 47 Cb 1.20 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 63.51 1of6 h SER 47 CO 0.12 0.70 -0.92 -0.07 -1.14 0.00 0.00 176.83 175.52 1of6 h LEU 48 N 1.15 0.93 -1.01 5.07 3.38 -0.79 -2.06 115.31 121.98 1of6 h LEU 48 Ca 0.32 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1of6 h LEU 48 Cb -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1of6 h LEU 48 CO -0.08 1.48 -0.07 -0.08 0.09 0.00 0.00 178.44 179.79 1of6 h GLU 49 N 0.47 0.64 0.07 1.13 4.57 -1.02 -2.46 114.58 117.97 1of6 h GLU 49 Ca -0.09 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1of6 h GLU 49 Cb 1.57 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1of6 h GLU 49 CO 0.19 0.70 -0.03 1.15 -1.18 0.00 0.00 179.01 179.84 1of6 h THR 50 N 0.59 1.18 -0.77 0.32 2.02 -1.08 -0.80 112.91 114.37 1of6 h THR 50 Ca 0.11 -0.90 0.17 0.00 0.77 0.00 0.00 66.41 66.57 1of6 h THR 50 Cb 0.48 1.76 -0.12 0.00 -1.74 0.00 0.00 68.15 68.53 1of6 h THR 50 CO 0.03 0.22 0.19 0.00 0.37 0.00 0.00 175.52 176.33 1of6 h ALA 51 N 0.38 1.02 -0.85 6.16 0.00 -1.36 0.23 119.26 124.84 1of6 h ALA 51 Ca -0.01 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1of6 h ALA 51 Cb 0.43 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1of6 h ALA 51 CO 0.02 -0.35 0.56 0.87 0.00 0.00 0.00 179.25 180.34 1of6 h LYS 52 N 0.27 1.13 -0.03 0.00 1.57 -1.24 -1.75 116.57 116.52 1of6 h LYS 52 Ca 0.44 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1of6 h LYS 52 Cb 0.78 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1of6 h LYS 52 CO -0.54 0.76 -0.20 -0.09 -0.57 0.00 0.00 179.45 178.81 1of6 h ARG 53 N 1.16 0.19 -0.89 3.15 2.43 0.02 -0.62 114.38 119.81 1of6 h ARG 53 Ca 0.31 -0.16 0.20 0.00 -0.81 0.00 0.00 59.98 59.52 1of6 h ARG 53 Cb -0.12 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 29.35 1of6 h ARG 53 CO -0.07 0.84 0.42 0.78 -1.51 0.00 0.00 179.97 180.43 1of6 h GLY 54 N -0.41 1.53 0.99 2.80 0.00 -0.53 0.10 103.07 107.54 1of6 h GLY 54 Ca -0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1of6 h GLY 54 CO 0.04 -0.21 -0.02 3.21 0.00 0.00 0.00 176.54 179.56 1of6 h ARG 55 N 0.47 0.81 -0.46 4.80 3.08 -1.03 -0.94 114.38 121.11 1of6 h ARG 55 Ca 0.54 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 1of6 h ARG 55 Cb 0.98 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1of6 h ARG 55 CO -0.48 0.88 0.05 0.00 -1.07 0.00 0.00 179.97 179.35 1of6 h ARG 56 N 0.65 0.78 -0.49 0.04 3.08 0.01 -1.01 114.38 117.44 1of6 h ARG 56 Ca 0.12 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1of6 h ARG 56 Cb 0.53 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1of6 h ARG 56 CO 0.03 0.81 0.10 0.93 -1.07 0.00 0.00 179.97 180.77 1of6 h GLU 57 N 0.64 0.80 -0.40 0.04 5.08 -0.76 -1.71 114.58 118.27 1of6 h GLU 57 Ca 0.14 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1of6 h GLU 57 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1of6 h GLU 57 CO 0.01 0.79 -0.09 0.00 -1.00 0.00 0.00 179.01 178.71 1of6 h ALA 58 N 0.98 0.54 -0.29 3.43 0.00 -1.04 -1.88 119.26 121.00 1of6 h ALA 58 Ca 0.15 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1of6 h ALA 58 Cb 0.36 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1of6 h ALA 58 CO 0.01 0.41 -0.21 0.82 0.00 0.00 0.00 179.25 180.28 1of6 h ILE 59 N 0.57 0.44 -0.70 0.00 2.04 -1.06 0.19 117.51 118.98 1of6 h ILE 59 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1of6 h ILE 59 Cb 0.62 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1of6 h ILE 59 CO 0.04 0.00 0.45 0.44 0.00 0.00 0.00 178.15 179.08 1of6 h ASP 60 N -0.18 0.82 0.04 1.72 3.32 -1.00 -0.96 116.42 120.17 1of6 h ASP 60 Ca 0.15 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1of6 h ASP 60 Cb 0.42 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1of6 h ASP 60 CO -0.40 0.61 -0.02 0.40 -1.72 0.00 0.00 179.24 178.11 1of6 h ILE 61 N 0.96 1.35 0.00 0.35 2.04 -0.79 0.06 117.51 121.48 1of6 h ILE 61 Ca 0.26 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1of6 h ILE 61 Cb -0.08 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1of6 h ILE 61 CO -0.05 0.34 -0.15 0.16 0.00 0.00 0.00 178.15 178.45 1of6 h ILE 62 N -0.65 0.44 -0.61 -0.67 3.07 -0.72 -2.46 117.51 115.92 1of6 h ILE 62 Ca -0.00 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.60 1of6 h ILE 62 Cb 0.59 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1of6 h ILE 62 CO 0.01 0.15 0.00 0.35 -1.05 0.00 0.00 178.15 177.60 1of6 n THR 63 N -3.40 0.81 -1.00 0.16 -2.24 -0.39 -1.22 114.28 107.00 1of6 n THR 63 Ca -0.00 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1of6 n THR 63 Cb 0.34 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1of6 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1of6 n GLY 64 N 1.47 0.51 0.19 3.38 0.00 -0.93 -4.93 105.19 104.89 1of6 n GLY 64 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1of6 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1of6 h LYS 65 N 1.06 0.00 -5.71 1.61 1.57 -1.25 -3.46 116.57 110.39 1of6 h LYS 65 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1of6 h LYS 65 Cb 0.03 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.12 1of6 h LYS 65 CO 0.00 0.30 -0.80 0.34 -0.57 0.00 0.00 179.45 178.71 1of6 s ASP 66 N -6.29 2.06 -0.03 0.86 2.15 -0.86 -4.97 116.67 109.60 1of6 s ASP 66 Ca 0.03 -0.64 0.16 0.00 0.43 0.00 0.00 52.55 52.54 1of6 s ASP 66 Cb 0.08 -0.09 0.50 0.00 -0.30 0.00 0.00 42.92 43.11 1of6 s ASP 66 CO 0.68 -0.01 1.42 -0.90 -0.17 0.00 0.00 175.17 176.20 1of6 n ASP 67 N 1.24 3.62 -4.43 -0.34 5.68 -1.26 -4.52 116.55 116.53 1of6 n ASP 67 Ca -0.20 -2.12 -0.29 0.00 -0.50 0.00 0.00 54.79 51.67 1of6 n ASP 67 Cb 0.54 -0.39 0.19 0.00 -1.14 0.00 0.00 41.12 40.31 1of6 n ASP 67 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1of6 s ARG 68 N -1.23 0.12 -0.13 0.11 0.52 -1.26 -5.00 118.95 112.08 1of6 s ARG 68 Ca 0.38 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.80 1of6 s ARG 68 Cb 0.21 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.94 1of6 s ARG 68 CO 0.23 -2.87 -0.11 0.08 0.02 0.00 0.00 175.30 172.65 1of6 s VAL 69 N -3.12 3.23 0.12 3.52 1.01 -0.79 -4.93 120.40 119.44 1of6 s VAL 69 Ca 0.67 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1of6 s VAL 69 Cb -0.14 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1of6 s VAL 69 CO 0.56 0.52 1.00 -0.22 0.00 0.00 0.00 175.10 176.96 1of6 s LEU 70 N 0.32 4.49 -0.23 3.92 2.96 0.38 -0.92 118.68 129.61 1of6 s LEU 70 Ca -0.09 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1of6 s LEU 70 Cb -0.15 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.00 1of6 s LEU 70 CO 0.05 -0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.23 1of6 s VAL 71 N 0.04 1.35 -0.34 1.68 1.01 -0.03 -0.40 120.40 123.70 1of6 s VAL 71 Ca 0.48 -1.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1of6 s VAL 71 Cb -0.25 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1of6 s VAL 71 CO 0.31 -0.11 0.38 -0.63 0.00 0.00 0.00 175.10 175.04 1of6 s ILE 72 N 1.48 5.15 -0.09 2.22 -1.09 0.50 -0.72 121.20 128.65 1of6 s ILE 72 Ca -0.05 0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1of6 s ILE 72 Cb -0.18 -3.83 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1of6 s ILE 72 CO -0.06 -0.09 0.22 0.54 -1.23 0.00 0.00 174.94 174.32 1of6 s VAL 73 N 2.07 -0.02 -5.00 2.92 0.11 -0.63 -1.31 120.40 118.54 1of6 s VAL 73 Ca 0.13 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1of6 s VAL 73 Cb -0.16 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1of6 s VAL 73 CO 0.12 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 1of6 n GLY 74 N 3.58 -0.59 3.73 6.54 0.00 -0.67 -2.01 105.19 115.78 1of6 n GLY 74 Ca -0.19 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1of6 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1of6 s PRO 75 N -2.00 2.41 0.21 1.61 0.02 0.57 -0.84 135.00 136.99 1of6 s PRO 75 Ca 0.00 1.80 -0.09 0.00 0.02 0.00 0.00 61.00 62.73 1of6 s PRO 75 Cb 0.00 -1.86 0.28 0.00 0.02 0.00 0.00 34.50 32.94 1of6 s PRO 75 CO 0.00 -1.64 1.74 0.00 -0.33 0.00 0.00 177.00 176.77 1of6 s SER 77 N -5.38 -0.17 -0.22 0.00 1.04 -1.26 -4.59 113.70 103.11 1of6 s SER 77 Ca -0.13 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1of6 s SER 77 Cb 0.17 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1of6 s SER 77 CO 0.74 -0.95 -0.08 -0.63 0.98 0.00 0.00 173.24 173.30 1of6 s ILE 78 N -3.88 2.88 -0.13 -1.02 -1.09 -0.08 -4.90 121.20 112.98 1of6 s ILE 78 Ca 0.09 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 1of6 s ILE 78 Cb 0.01 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1of6 s ILE 78 CO -0.05 0.35 0.13 0.00 -1.23 0.00 0.00 174.94 174.14 1of6 n HIS 79 N 4.70 0.00 -3.87 3.97 1.44 -1.26 -4.51 115.22 115.68 1of6 n HIS 79 Ca -0.18 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.23 1of6 n HIS 79 Cb 0.49 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.43 1of6 n HIS 79 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1of6 s ASP 80 N -1.51 3.74 0.42 4.39 -1.08 -1.26 -4.96 116.67 116.40 1of6 s ASP 80 Ca 0.01 -1.23 0.12 0.00 -0.52 0.00 0.00 52.55 50.93 1of6 s ASP 80 Cb 0.02 -1.04 0.91 0.00 -1.46 0.00 0.00 42.92 41.36 1of6 s ASP 80 CO 0.14 -0.28 1.97 -0.07 0.52 0.00 0.00 175.17 177.44 1of6 h LEU 81 N 8.01 0.11 0.17 -1.34 4.07 -1.98 -0.52 115.31 123.82 1of6 h LEU 81 Ca -0.16 -0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.53 1of6 h LEU 81 Cb 1.07 -0.03 0.03 0.00 1.08 0.00 0.00 40.66 42.81 1of6 h LEU 81 CO 0.41 0.27 -1.07 -0.33 -1.08 0.00 0.00 178.44 176.63 1of6 h GLU 82 N 0.11 0.43 -0.53 1.13 3.07 -1.98 -2.66 114.58 114.15 1of6 h GLU 82 Ca 0.02 -0.69 -0.08 0.00 -0.50 0.00 0.00 59.36 58.11 1of6 h GLU 82 Cb 0.32 0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1of6 h GLU 82 CO 0.02 1.32 -0.01 0.00 -1.40 0.00 0.00 179.01 178.94 1of6 h ALA 83 N 0.15 0.99 -0.48 3.43 0.00 -1.99 -1.98 119.26 119.37 1of6 h ALA 83 Ca -0.18 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1of6 h ALA 83 Cb 1.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1of6 h ALA 83 CO 0.20 0.62 -0.16 0.00 0.00 0.00 0.00 179.25 179.91 1of6 h ALA 84 N 1.15 0.82 -0.21 0.00 0.00 -1.15 -2.17 119.26 117.70 1of6 h ALA 84 Ca 0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1of6 h ALA 84 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1of6 h ALA 84 CO 0.03 0.65 -0.21 0.37 0.00 0.00 0.00 179.25 180.09 1of6 h GLN 85 N 0.81 0.37 -0.20 0.00 5.75 -1.10 0.20 115.11 120.94 1of6 h GLN 85 Ca 0.12 -0.12 -0.21 0.00 -0.15 0.00 0.00 58.65 58.29 1of6 h GLN 85 Cb 0.70 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.22 1of6 h GLN 85 CO 0.05 0.56 -0.70 1.49 -2.65 0.00 0.00 178.83 177.59 1of6 h GLU 86 N 0.34 0.82 -0.30 1.69 4.81 -1.30 -2.36 114.58 118.28 1of6 h GLU 86 Ca 0.06 -0.62 -0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1of6 h GLU 86 Cb 0.56 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1of6 h GLU 86 CO 0.04 1.23 0.18 -0.92 -0.73 0.00 0.00 179.01 178.81 1of6 h TYR 87 N 0.58 0.40 -0.50 0.92 5.03 -0.98 -2.71 116.97 119.71 1of6 h TYR 87 Ca -0.03 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.38 1of6 h TYR 87 Cb 1.32 -0.13 -0.10 0.00 1.55 0.00 0.00 36.73 39.37 1of6 h TYR 87 CO 0.08 0.29 -0.20 0.00 -1.32 0.00 0.00 178.16 177.01 1of6 h ALA 88 N 1.07 0.18 -0.65 1.82 0.00 -0.57 -0.90 119.26 120.21 1of6 h ALA 88 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1of6 h ALA 88 Cb 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1of6 h ALA 88 CO -0.02 -0.53 0.41 -0.07 0.00 0.00 0.00 179.25 179.04 1of6 h LEU 89 N -0.09 0.68 -0.08 0.00 4.07 -1.29 0.21 115.31 118.81 1of6 h LEU 89 Ca 0.23 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 1of6 h LEU 89 Cb 0.45 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1of6 h LEU 89 CO -0.56 0.48 0.01 0.03 -1.08 0.00 0.00 178.44 177.32 1of6 h ARG 90 N 0.81 0.13 -0.34 1.13 3.08 -1.10 -2.26 114.38 115.83 1of6 h ARG 90 Ca 0.26 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1of6 h ARG 90 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1of6 h ARG 90 CO -0.09 0.36 0.07 1.25 -1.07 0.00 0.00 179.97 180.49 1of6 h LEU 91 N -0.13 0.46 -0.39 3.04 5.85 -0.86 -1.43 115.31 121.85 1of6 h LEU 91 Ca 0.02 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1of6 h LEU 91 Cb 0.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1of6 h LEU 91 CO 0.00 0.48 0.18 0.50 -0.34 0.00 0.00 178.44 179.26 1of6 h LYS 92 N 0.49 0.56 -0.25 1.25 1.63 -0.54 -0.34 116.57 119.37 1of6 h LYS 92 Ca 0.11 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 1of6 h LYS 92 Cb 0.21 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1of6 h LYS 92 CO -0.00 0.51 -0.21 -0.22 -3.45 0.00 0.00 179.45 176.07 1of6 h LYS 93 N 0.48 0.45 0.00 1.90 3.64 -0.96 -0.82 116.57 121.27 1of6 h LYS 93 Ca 0.13 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1of6 h LYS 93 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1of6 h LYS 93 CO -0.02 0.64 -0.58 1.25 -2.27 0.00 0.00 179.45 178.48 1of6 h LEU 94 N 0.40 0.00 0.14 5.20 5.85 -1.21 -3.02 115.31 122.68 1of6 h LEU 94 Ca 0.07 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 1of6 h LEU 94 Cb 0.60 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.65 1of6 h LEU 94 CO 0.04 0.58 -0.89 -1.28 -0.34 0.00 0.00 178.44 176.55 1of6 h SER 95 N 0.00 0.53 -0.39 1.25 0.87 -0.17 -0.70 113.55 114.94 1of6 h SER 95 Ca -0.01 -0.93 0.08 0.00 -1.23 0.00 0.00 61.79 59.70 1of6 h SER 95 Cb 1.20 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 1of6 h SER 95 CO 0.07 1.42 -0.23 0.44 -0.53 0.00 0.00 176.83 178.01 1of6 h ASP 96 N -0.27 -0.78 0.05 6.23 3.32 -1.28 0.36 116.42 124.05 1of6 h ASP 96 Ca -0.15 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1of6 h ASP 96 Cb 1.69 0.40 -0.05 0.00 0.22 0.00 0.00 39.33 41.59 1of6 h ASP 96 CO 0.17 -0.26 -0.38 -0.08 -1.72 0.00 0.00 179.24 176.97 1of6 h GLU 97 N -0.17 -0.55 -0.61 3.56 4.81 -1.52 -3.09 114.58 117.02 1of6 h GLU 97 Ca 0.19 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1of6 h GLU 97 Cb 0.46 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1of6 h GLU 97 CO -0.49 -0.36 0.00 1.28 -0.73 0.00 0.00 179.01 178.71 1of6 n LEU 98 N -5.44 2.86 0.23 1.64 4.77 -0.27 -4.55 117.00 116.23 1of6 n LEU 98 Ca -0.06 -1.44 0.17 0.00 -0.03 0.00 0.00 56.01 54.64 1of6 n LEU 98 Cb 0.36 -0.45 0.86 0.00 -2.33 0.00 0.00 43.42 41.85 1of6 n LEU 98 CO 0.19 0.48 1.15 0.07 -1.33 0.00 0.00 177.39 177.94 1of6 h LYS 99 N 2.17 0.00 0.00 3.23 2.10 -0.20 -1.75 116.57 122.11 1of6 h LYS 99 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1of6 h LYS 99 Cb 0.94 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1of6 h LYS 99 CO 0.15 0.00 -0.08 0.78 -2.00 0.00 0.00 179.45 178.29 1of6 h GLY 100 N 0.00 0.00 0.00 0.07 0.00 -1.84 -3.36 103.07 97.94 1of6 h GLY 100 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1of6 h GLY 100 CO -0.00 0.00 -1.24 1.22 0.00 0.00 0.00 176.54 176.52 1of6 n ASP 101 N -3.59 4.04 -4.04 0.19 8.00 -0.73 -4.87 116.55 115.55 1of6 n ASP 101 Ca -0.02 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 1of6 n ASP 101 Cb 0.20 0.83 -0.16 0.00 -0.02 0.00 0.00 41.12 41.97 1of6 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1of6 s LEU 102 N -3.89 1.75 -0.36 0.64 1.43 -0.77 -1.89 118.68 115.59 1of6 s LEU 102 Ca -0.02 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 1of6 s LEU 102 Cb 0.02 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.50 1of6 s LEU 102 CO 0.17 0.07 0.41 -0.55 0.23 0.00 0.00 176.35 176.67 1of6 s SER 103 N 0.33 6.21 -0.23 2.29 0.15 -0.10 -4.26 113.70 118.09 1of6 s SER 103 Ca -0.07 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 1of6 s SER 103 Cb -0.12 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1of6 s SER 103 CO 0.02 -0.42 0.09 -0.63 1.20 0.00 0.00 173.24 173.50 1of6 s ILE 104 N 2.11 4.70 -0.11 6.45 1.01 -1.26 -0.85 121.20 133.25 1of6 s ILE 104 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1of6 s ILE 104 Cb -0.16 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1of6 s ILE 104 CO 0.12 0.37 -0.15 -0.63 0.00 0.00 0.00 174.94 174.66 1of6 s ILE 105 N 1.11 2.90 0.05 2.92 1.01 0.10 -4.46 121.20 124.83 1of6 s ILE 105 Ca 0.05 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1of6 s ILE 105 Cb -0.14 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1of6 s ILE 105 CO 0.04 0.54 1.01 -0.32 0.00 0.00 0.00 174.94 176.21 1of6 s MET 106 N 0.18 4.58 -0.22 2.79 -2.45 -0.03 -1.60 119.30 122.56 1of6 s MET 106 Ca -0.09 1.50 -0.28 0.00 -1.25 0.00 0.00 55.69 55.57 1of6 s MET 106 Cb -0.15 -3.41 -0.05 0.00 1.25 0.00 0.00 34.83 32.46 1of6 s MET 106 CO 0.05 0.00 2.22 0.54 1.05 0.00 0.00 175.02 178.89 1of6 n ARG 107 N 3.50 1.93 -2.82 4.11 1.74 -0.85 -1.28 116.66 122.99 1of6 n ARG 107 Ca 0.05 0.53 -0.29 0.00 -0.77 0.00 0.00 57.85 57.37 1of6 n ARG 107 Cb 0.50 -3.21 -0.03 0.00 -1.02 0.00 0.00 32.46 28.70 1of6 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1of6 n ALA 108 N 11.62 4.96 -2.19 7.54 0.00 -0.02 -4.09 120.51 138.34 1of6 n ALA 108 Ca 0.30 -4.64 -0.33 0.00 0.00 0.00 0.00 53.44 48.77 1of6 n ALA 108 Cb 0.44 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1of6 n ALA 108 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1of6 s TYR 109 N -3.62 3.43 -0.08 0.00 1.51 -1.26 -4.61 117.35 112.73 1of6 s TYR 109 Ca 0.48 1.17 0.09 0.00 -1.01 0.00 0.00 57.07 57.80 1of6 s TYR 109 Cb 0.28 -2.49 -0.13 0.00 -0.11 0.00 0.00 41.96 39.51 1of6 s TYR 109 CO -0.15 0.17 0.08 1.28 -1.11 0.00 0.00 175.55 175.82 1of6 n LEU 110 N -0.13 0.00 -4.08 -1.29 4.32 -1.26 -0.90 117.00 113.66 1of6 n LEU 110 Ca 0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.92 1of6 n LEU 110 Cb 0.53 0.19 -0.09 0.00 -1.62 0.00 0.00 43.42 42.42 1of6 n LEU 110 CO 0.42 0.19 -0.22 -1.61 -1.22 0.00 0.00 177.39 174.95 1of6 s GLU 111 N -2.36 0.94 -0.03 3.23 2.02 -1.26 -1.27 118.70 119.97 1of6 s GLU 111 Ca -0.05 -1.32 -0.01 0.00 0.02 0.00 0.00 54.97 53.62 1of6 s GLU 111 Cb 0.04 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.58 1of6 s GLU 111 CO 0.41 -0.28 0.06 0.21 0.02 0.00 0.00 175.26 175.68 1of6 s LYS 112 N -4.00 -0.01 0.00 1.61 2.36 -1.26 -4.84 119.74 113.60 1of6 s LYS 112 Ca 0.19 0.25 0.00 0.00 -2.55 0.00 0.00 55.97 53.86 1of6 s LYS 112 Cb 0.06 -0.25 0.00 0.00 -1.05 0.00 0.00 37.83 36.59 1of6 s LYS 112 CO -0.01 -0.18 0.00 -2.30 1.55 0.00 0.00 175.35 174.41 1of6 n PRO 113 N 4.30 0.00 0.00 4.03 -0.02 -1.26 -4.94 135.00 137.11 1of6 n PRO 113 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1of6 n PRO 113 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1of6 n PRO 113 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1of6 n TRP 119 N 0.00 0.00 1.33 6.00 -0.00 -1.26 -5.19 117.44 118.32 1of6 n TRP 119 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1of6 n TRP 119 Cb 0.00 0.00 0.64 0.00 -0.00 0.00 0.00 31.31 31.95 1of6 n TRP 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1of6 n LYS 120 N 0.25 0.66 0.00 5.87 5.02 -1.26 -4.99 118.16 123.71 1of6 n LYS 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1of6 n LYS 120 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1of6 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1of6 n GLY 121 N 0.36 1.23 0.23 0.72 0.00 -1.26 -4.30 105.19 102.17 1of6 n GLY 121 Ca 0.16 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1of6 n GLY 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1of6 h LEU 122 N 0.00 0.00 0.07 0.99 5.85 -1.42 -0.55 115.31 120.26 1of6 h LEU 122 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1of6 h LEU 122 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1of6 h LEU 122 CO 0.00 0.19 -0.03 0.40 -0.34 0.00 0.00 178.44 178.66 1of6 h ILE 123 N 0.00 1.19 -0.32 4.05 2.04 -1.79 -2.92 117.51 119.76 1of6 h ILE 123 Ca -0.00 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1of6 h ILE 123 Cb 0.37 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1of6 h ILE 123 CO 0.03 0.33 0.01 0.78 0.00 0.00 0.00 178.15 179.29 1of6 h ASN 124 N -0.80 0.54 -2.04 1.72 2.35 -1.73 -3.33 115.58 112.29 1of6 h ASN 124 Ca -0.01 -0.30 -0.54 0.00 -0.55 0.00 0.00 56.30 54.90 1of6 h ASN 124 Cb 0.61 -0.15 -0.40 0.00 0.05 0.00 0.00 38.32 38.43 1of6 h ASN 124 CO 0.02 0.71 -1.05 -0.67 -1.65 0.00 0.00 177.43 174.79 1of6 n ASP 125 N -4.56 1.06 0.11 5.81 2.03 -0.22 -1.25 116.55 119.53 1of6 n ASP 125 Ca -0.02 -2.94 0.05 0.00 0.52 0.00 0.00 54.79 52.39 1of6 n ASP 125 Cb 0.26 -0.63 0.48 0.00 -0.72 0.00 0.00 41.12 40.51 1of6 n ASP 125 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1of6 h PRO 126 N 3.63 0.31 0.00 -0.67 0.13 -1.68 -2.29 132.00 131.43 1of6 h PRO 126 Ca 0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1of6 h PRO 126 Cb 0.86 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1of6 h PRO 126 CO 0.54 0.25 0.00 -0.44 -0.23 0.00 0.00 178.00 178.12 1of6 h ASP 127 N 0.31 0.00 -3.52 1.44 3.32 -1.91 -3.48 116.42 112.58 1of6 h ASP 127 Ca 0.08 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 1of6 h ASP 127 Cb 0.05 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.68 1of6 h ASP 127 CO -0.01 0.00 -0.34 0.52 -1.72 0.00 0.00 179.24 177.69 1of6 n VAL 128 N -2.64 -2.15 -2.40 -1.35 0.31 -0.86 -4.98 118.33 104.26 1of6 n VAL 128 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1of6 n VAL 128 Cb 0.39 -3.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.12 1of6 n VAL 128 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1of6 n ASN 129 N -1.35 0.40 -2.92 4.52 6.94 -1.26 -5.00 115.26 116.59 1of6 n ASN 129 Ca -0.07 -2.01 -0.18 0.00 -0.02 0.00 0.00 54.58 52.30 1of6 n ASN 129 Cb 0.56 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 1of6 n ASN 129 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1of6 n ASN 130 N 0.19 -4.13 -4.93 0.53 4.05 -1.26 -4.99 115.26 104.72 1of6 n ASN 130 Ca -0.04 -0.12 -0.27 0.00 0.45 0.00 0.00 54.58 54.59 1of6 n ASN 130 Cb 0.99 -3.44 -0.03 0.00 1.23 0.00 0.00 39.78 38.52 1of6 n ASN 130 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1of6 s THR 131 N -2.83 5.29 -0.21 -0.44 2.01 -1.26 -5.11 115.64 113.08 1of6 s THR 131 Ca 0.21 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 1of6 s THR 131 Cb -0.11 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1of6 s THR 131 CO 0.26 -0.08 -0.04 0.72 -0.69 0.00 0.00 174.62 174.80 1of6 s PHE 132 N -1.74 2.97 -0.43 4.92 -0.71 -1.26 -4.18 117.98 117.55 1of6 s PHE 132 Ca 0.36 -0.84 0.07 0.00 -1.04 0.00 0.00 56.93 55.49 1of6 s PHE 132 Cb -0.11 -2.09 0.24 0.00 -1.21 0.00 0.00 43.02 39.84 1of6 s PHE 132 CO 0.28 -0.48 0.61 -1.71 -1.34 0.00 0.00 175.22 172.58 1of6 n ASN 133 N 4.66 -0.91 -0.34 1.98 2.85 -0.38 -5.03 115.26 118.10 1of6 n ASN 133 Ca -0.18 -2.83 0.13 0.00 -0.11 0.00 0.00 54.58 51.59 1of6 n ASN 133 Cb 0.51 0.15 0.35 0.00 1.24 0.00 0.00 39.78 42.03 1of6 n ASN 133 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1of6 h ILE 134 N 2.71 0.72 0.29 -1.44 2.04 -1.73 -1.43 117.51 118.67 1of6 h ILE 134 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1of6 h ILE 134 Cb 0.93 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1of6 h ILE 134 CO 0.39 0.13 -0.32 0.78 0.00 0.00 0.00 178.15 179.13 1of6 h ASN 135 N 0.73 -0.90 -0.87 1.72 2.35 -1.90 0.16 115.58 116.87 1of6 h ASN 135 Ca 0.55 0.08 0.21 0.00 -0.55 0.00 0.00 56.30 56.59 1of6 h ASN 135 Cb 0.91 0.30 -0.12 0.00 0.05 0.00 0.00 38.32 39.46 1of6 h ASN 135 CO -0.33 -0.42 0.34 0.50 -1.65 0.00 0.00 177.43 175.87 1of6 h LYS 136 N -0.62 0.35 -0.59 0.81 3.64 -1.86 -1.00 116.57 117.30 1of6 h LYS 136 Ca -0.04 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1of6 h LYS 136 Cb 0.55 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.17 1of6 h LYS 136 CO -0.06 0.23 -0.16 0.78 -2.27 0.00 0.00 179.45 177.98 1of6 h GLY 137 N 0.36 0.40 1.70 5.01 0.00 -0.59 0.18 103.07 110.13 1of6 h GLY 137 Ca 0.53 0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.93 1of6 h GLY 137 CO -0.53 -0.23 -0.52 1.41 0.00 0.00 0.00 176.54 176.67 1of6 h LEU 138 N -0.01 0.35 -0.76 3.11 3.38 0.12 -0.94 115.31 120.57 1of6 h LEU 138 Ca 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1of6 h LEU 138 Cb 0.44 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1of6 h LEU 138 CO -0.62 0.81 0.47 1.56 0.09 0.00 0.00 178.44 180.76 1of6 h GLN 139 N 0.25 1.02 -0.06 1.13 4.20 -0.75 -0.37 115.11 120.54 1of6 h GLN 139 Ca 0.01 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1of6 h GLN 139 Cb 1.00 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1of6 h GLN 139 CO 0.09 0.71 -0.25 0.77 -0.67 0.00 0.00 178.83 179.47 1of6 h SER 140 N 1.03 0.32 -0.30 1.46 0.02 -0.46 0.11 113.55 115.74 1of6 h SER 140 Ca 0.27 -0.64 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1of6 h SER 140 Cb -0.06 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1of6 h SER 140 CO -0.05 0.92 -0.01 0.00 -1.14 0.00 0.00 176.83 176.54 1of6 h ALA 141 N 0.42 0.26 -0.44 3.77 0.00 -1.11 0.28 119.26 122.44 1of6 h ALA 141 Ca -0.02 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1of6 h ALA 141 Cb 0.90 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1of6 h ALA 141 CO 0.05 -0.42 -0.25 -0.09 0.00 0.00 0.00 179.25 178.55 1of6 h ARG 142 N 0.08 0.92 -0.46 0.00 2.43 -1.04 -1.59 114.38 114.72 1of6 h ARG 142 Ca 0.14 -0.40 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1of6 h ARG 142 Cb 0.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1of6 h ARG 142 CO -0.25 1.06 0.11 0.37 -1.51 0.00 0.00 179.97 179.75 1of6 h GLN 143 N 0.78 0.73 -0.26 0.20 5.75 -0.45 -1.89 115.11 119.98 1of6 h GLN 143 Ca 0.10 -0.18 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1of6 h GLN 143 Cb 0.81 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.20 1of6 h GLN 143 CO 0.07 0.72 -0.48 1.25 -2.65 0.00 0.00 178.83 177.75 1of6 h LEU 144 N 0.61 -1.56 -0.94 -2.39 5.85 -0.37 0.66 115.31 117.17 1of6 h LEU 144 Ca 0.14 0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.22 1of6 h LEU 144 Cb 0.32 0.63 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 1of6 h LEU 144 CO 0.00 -0.37 0.54 -0.26 -0.34 0.00 0.00 178.44 178.01 1of6 h PHE 145 N -0.40 0.96 -0.30 1.25 -1.00 -1.09 -1.29 116.94 115.07 1of6 h PHE 145 Ca 0.05 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 1of6 h PHE 145 Cb 0.54 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1of6 h PHE 145 CO -0.66 0.26 -0.10 0.28 -1.61 0.00 0.00 178.31 176.49 1of6 h VAL 146 N 0.76 1.29 -0.86 -0.55 2.07 -0.86 -2.09 116.25 116.01 1of6 h VAL 146 Ca 0.51 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1of6 h VAL 146 Cb 0.71 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1of6 h VAL 146 CO -0.35 0.37 0.55 0.78 0.02 0.00 0.00 177.57 178.94 1of6 h ASN 147 N 0.36 0.92 -0.10 0.57 2.35 -0.11 -0.42 115.58 119.15 1of6 h ASN 147 Ca 0.07 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1of6 h ASN 147 Cb 0.59 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1of6 h ASN 147 CO 0.03 0.63 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.22 1of6 h LEU 148 N 1.08 0.31 -0.65 1.61 3.38 -1.28 -3.30 115.31 116.45 1of6 h LEU 148 Ca 0.34 -0.54 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 1of6 h LEU 148 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1of6 h LEU 148 CO -0.11 0.79 -0.67 0.71 0.09 0.00 0.00 178.44 179.24 1of6 h THR 149 N -0.16 1.48 0.00 0.22 1.35 -1.24 -3.18 112.91 111.38 1of6 h THR 149 Ca 0.01 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1of6 h THR 149 Cb 0.72 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1of6 h THR 149 CO 0.04 0.66 0.01 -1.13 -0.25 0.00 0.00 175.52 174.85 1of6 h ASN 150 N 0.01 0.00 -0.57 5.36 -1.24 -1.15 -0.25 115.58 117.74 1of6 h ASN 150 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1of6 h ASN 150 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1of6 h ASN 150 CO 0.09 0.00 0.00 2.30 -1.29 0.00 0.00 177.43 178.53 1of6 n ILE 151 N -2.65 0.75 -1.04 2.57 -5.35 -1.20 -4.73 119.36 107.70 1of6 n ILE 151 Ca -0.02 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1of6 n ILE 151 Cb 0.06 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1of6 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1of6 n GLY 152 N 1.53 0.41 3.47 3.28 0.00 -0.11 -5.05 105.19 108.72 1of6 n GLY 152 Ca 0.21 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 1of6 n GLY 152 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1of6 s LEU 153 N 0.00 3.89 0.69 0.99 2.96 -1.22 -5.01 118.68 120.98 1of6 s LEU 153 Ca 0.00 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1of6 s LEU 153 Cb 0.00 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1of6 s LEU 153 CO 0.00 -0.12 1.07 -2.84 -1.32 0.00 0.00 176.35 173.14 1of6 s PRO 154 N 1.64 2.86 0.09 0.98 0.02 -1.26 -3.67 135.00 135.66 1of6 s PRO 154 Ca 0.06 1.08 0.05 0.00 0.02 0.00 0.00 61.00 62.21 1of6 s PRO 154 Cb -0.16 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 1of6 s PRO 154 CO 0.06 -1.16 -0.13 0.96 -0.33 0.00 0.00 177.00 176.40 1of6 s ILE 155 N -2.84 1.07 0.08 2.83 -4.36 -1.26 -0.85 121.20 115.87 1of6 s ILE 155 Ca 0.60 -1.46 0.05 0.00 -0.26 0.00 0.00 60.65 59.59 1of6 s ILE 155 Cb -0.16 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 1of6 s ILE 155 CO 0.50 -0.36 -0.14 -0.83 0.24 0.00 0.00 174.94 174.36 1of6 s GLY 156 N -2.05 0.90 0.15 6.27 0.00 -0.41 -1.42 107.32 110.76 1of6 s GLY 156 Ca 0.02 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 1of6 s GLY 156 CO 0.02 -1.11 0.49 -0.45 0.00 0.00 0.00 173.10 172.05 1of6 s SER 157 N -1.93 -0.34 0.23 1.64 0.15 -0.66 -0.84 113.70 111.95 1of6 s SER 157 Ca 0.01 -0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 1of6 s SER 157 Cb -0.08 0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1of6 s SER 157 CO 0.02 -0.93 1.02 -0.70 1.20 0.00 0.00 173.24 173.85 1of6 s GLU 158 N -3.80 4.73 -0.53 5.44 2.12 -1.26 -0.43 118.70 124.98 1of6 s GLU 158 Ca 0.04 1.63 -0.19 0.00 0.36 0.00 0.00 54.97 56.80 1of6 s GLU 158 Cb 0.00 -3.26 0.07 0.00 0.26 0.00 0.00 34.13 31.20 1of6 s GLU 158 CO -0.10 0.32 0.65 -1.64 -0.54 0.00 0.00 175.26 173.95 1of6 s MET 159 N -1.05 3.11 -0.11 4.30 -1.94 -0.05 -4.81 119.30 118.75 1of6 s MET 159 Ca 0.44 -0.97 -0.06 0.00 -1.71 0.00 0.00 55.69 53.39 1of6 s MET 159 Cb -0.28 -4.13 -0.26 0.00 2.01 0.00 0.00 34.83 32.16 1of6 s MET 159 CO 0.35 -1.29 0.42 -0.07 -0.01 0.00 0.00 175.02 174.42 1of6 h LEU 160 N 9.78 0.41 -7.91 -0.03 -0.00 -1.95 -3.45 115.31 112.16 1of6 h LEU 160 Ca -0.28 -0.89 0.13 0.00 -0.00 0.00 0.00 57.88 56.84 1of6 h LEU 160 Cb 1.09 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.59 1of6 h LEU 160 CO 1.00 1.79 0.50 1.51 -0.00 0.00 0.00 178.44 183.24 1of6 s ASP 161 N -7.00 -0.03 0.00 -0.43 1.47 -1.26 -5.05 116.67 104.37 1of6 s ASP 161 Ca -0.20 -0.73 0.29 0.00 1.18 0.00 0.00 52.55 53.09 1of6 s ASP 161 Cb 0.07 0.58 1.31 0.00 -0.34 0.00 0.00 42.92 44.53 1of6 s ASP 161 CO 0.78 -1.13 1.95 0.35 0.68 0.00 0.00 175.17 177.80 1of6 n THR 162 N -0.62 0.00 -0.11 2.11 -2.24 -1.26 -4.26 114.28 107.90 1of6 n THR 162 Ca -0.05 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 1of6 n THR 162 Cb 0.60 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 1of6 n THR 162 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1of6 n ILE 163 N -1.40 1.51 -0.31 2.28 2.08 -1.26 -4.53 119.36 117.73 1of6 n ILE 163 Ca 0.10 -0.04 0.12 0.00 0.56 0.00 0.00 62.75 63.48 1of6 n ILE 163 Cb 0.30 -2.18 0.29 0.00 -0.75 0.00 0.00 39.64 37.31 1of6 n ILE 163 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1of6 h SER 164 N -1.00 0.50 -0.79 4.38 4.64 -1.99 -1.78 113.55 117.50 1of6 h SER 164 Ca -0.26 0.12 0.20 0.00 -0.47 0.00 0.00 61.79 61.39 1of6 h SER 164 Cb 1.20 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1of6 h SER 164 CO -0.16 0.12 0.55 -0.65 -0.87 0.00 0.00 176.83 175.82 1of6 h PRO 165 N 0.54 0.16 0.00 4.77 0.11 -1.82 -1.76 132.00 134.00 1of6 h PRO 165 Ca 0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1of6 h PRO 165 Cb 0.93 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1of6 h PRO 165 CO -0.45 0.11 0.00 0.37 -0.21 0.00 0.00 178.00 177.82 1of6 h GLN 166 N 0.17 0.00 0.00 1.05 5.75 -1.58 0.15 115.11 120.65 1of6 h GLN 166 Ca 0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1of6 h GLN 166 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1of6 h GLN 166 CO -0.07 0.00 -0.11 1.88 -2.65 0.00 0.00 178.83 177.88 1of6 h TYR 167 N 0.00 0.00 0.00 3.99 -1.99 -1.46 -3.41 116.97 114.10 1of6 h TYR 167 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1of6 h TYR 167 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1of6 h TYR 167 CO 0.00 0.00 -0.01 1.28 -0.00 0.00 0.00 178.16 179.43 1of6 n LEU 168 N -2.87 0.00 0.25 3.88 4.77 -0.69 -4.84 117.00 117.51 1of6 n LEU 168 Ca 0.04 -0.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1of6 n LEU 168 Cb 0.51 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.24 1of6 n LEU 168 CO 0.34 0.00 0.92 0.00 -1.33 0.00 0.00 177.39 177.32 1of6 h ALA 169 N 0.00 1.16 0.00 -1.18 0.00 -0.97 -1.24 119.26 117.03 1of6 h ALA 169 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1of6 h ALA 169 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1of6 h ALA 169 CO 0.00 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1of6 n ASP 170 N -3.49 0.55 -0.14 0.00 5.75 -1.26 -2.95 116.55 115.01 1of6 n ASP 170 Ca -0.01 0.65 0.06 0.00 -0.01 0.00 0.00 54.79 55.48 1of6 n ASP 170 Cb 0.31 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.60 1of6 n ASP 170 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1of6 n LEU 171 N -2.12 0.97 -4.81 -2.12 4.77 -0.47 -4.79 117.00 108.43 1of6 n LEU 171 Ca 0.02 -0.63 -0.36 0.00 -0.03 0.00 0.00 56.01 55.01 1of6 n LEU 171 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1of6 n LEU 171 CO 0.17 0.21 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.56 1of6 s VAL 172 N -1.88 5.30 -0.05 4.08 1.01 -1.15 -4.52 120.40 123.19 1of6 s VAL 172 Ca 0.07 0.14 0.14 0.00 0.00 0.00 0.00 61.98 62.33 1of6 s VAL 172 Cb 0.10 -3.33 -0.22 0.00 0.00 0.00 0.00 36.38 32.93 1of6 s VAL 172 CO 0.41 0.57 0.33 -1.20 0.00 0.00 0.00 175.10 175.20 1of6 n SER 173 N 2.45 1.70 -3.72 3.32 7.64 -0.51 -4.85 113.62 119.65 1of6 n SER 173 Ca -0.19 -0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.52 1of6 n SER 173 Cb 0.54 1.61 -0.10 0.00 -1.01 0.00 0.00 64.21 65.25 1of6 n SER 173 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1of6 s PHE 174 N -2.95 -0.51 -0.02 1.43 5.36 -1.21 -4.15 117.98 115.94 1of6 s PHE 174 Ca -0.05 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.17 1of6 s PHE 174 Cb 0.09 0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1of6 s PHE 174 CO 0.59 -0.25 -0.14 0.20 -1.46 0.00 0.00 175.22 174.16 1of6 s GLY 175 N 0.40 0.71 0.07 13.12 0.00 -0.70 -1.65 107.32 119.28 1of6 s GLY 175 Ca -0.01 -0.59 0.10 0.00 0.00 0.00 0.00 44.72 44.21 1of6 s GLY 175 CO -0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 173.10 172.39 1of6 s ALA 176 N -0.22 2.34 -0.23 3.20 0.00 0.43 -1.70 121.76 125.58 1of6 s ALA 176 Ca 0.03 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 1of6 s ALA 176 Cb -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1of6 s ALA 176 CO -0.00 0.54 -0.07 0.42 0.00 0.00 0.00 175.76 176.65 1of6 s ILE 177 N -0.91 2.98 0.95 0.00 -1.09 0.18 -0.87 121.20 122.43 1of6 s ILE 177 Ca 0.13 -0.79 -0.12 0.00 -2.23 0.00 0.00 60.65 57.64 1of6 s ILE 177 Cb -0.10 -2.41 0.16 0.00 -1.58 0.00 0.00 42.46 38.52 1of6 s ILE 177 CO 0.04 0.34 1.11 -0.83 -1.23 0.00 0.00 174.94 174.36 1of6 s GLY 178 N 1.39 1.58 0.40 6.18 0.00 -1.26 -2.04 107.32 113.57 1of6 s GLY 178 Ca 0.03 -0.36 0.12 0.00 0.00 0.00 0.00 44.72 44.52 1of6 s GLY 178 CO -0.05 0.21 1.92 0.00 0.00 0.00 0.00 173.10 175.18 1of6 h ALA 179 N -1.69 1.97 0.00 3.20 0.00 -1.82 -1.45 119.26 119.47 1of6 h ALA 179 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1of6 h ALA 179 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1of6 h ALA 179 CO 0.59 -0.15 0.00 0.54 0.00 0.00 0.00 179.25 180.22 1of6 n ARG 180 N -4.50 0.07 0.00 0.00 1.74 -1.26 -3.56 116.66 109.15 1of6 n ARG 180 Ca 0.14 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1of6 n ARG 180 Cb 0.44 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1of6 n ARG 180 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1of6 n THR 181 N -1.73 0.03 -0.09 0.55 -2.24 -0.59 -4.72 114.28 105.49 1of6 n THR 181 Ca 0.05 -0.36 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1of6 n THR 181 Cb 0.27 1.29 0.47 0.00 -2.10 0.00 0.00 70.33 70.26 1of6 n THR 181 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1of6 h THR 182 N 0.35 0.94 -0.00 4.28 2.02 -1.50 -1.67 112.91 117.32 1of6 h THR 182 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1of6 h THR 182 Cb 0.18 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1of6 h THR 182 CO 0.00 0.09 -0.03 -0.62 0.37 0.00 0.00 175.52 175.33 1of6 n GLU 183 N -4.48 0.45 -2.96 6.66 1.02 -1.26 -4.70 120.64 115.37 1of6 n GLU 183 Ca 0.09 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 1of6 n GLU 183 Cb 0.31 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 1of6 n GLU 183 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1of6 s SER 184 N -2.58 6.76 0.21 1.62 0.15 -0.63 -4.94 113.70 114.29 1of6 s SER 184 Ca 0.28 0.94 -0.09 0.00 0.70 0.00 0.00 55.95 57.78 1of6 s SER 184 Cb 0.20 -2.40 0.29 0.00 -1.71 0.00 0.00 66.02 62.39 1of6 s SER 184 CO 0.47 -0.46 1.75 -0.61 1.20 0.00 0.00 173.24 175.59 1of6 h GLN 185 N 7.71 0.42 -0.63 5.44 5.75 -1.89 -1.50 115.11 130.40 1of6 h GLN 185 Ca -0.25 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 1of6 h GLN 185 Cb 1.11 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 1of6 h GLN 185 CO 0.84 0.28 0.29 1.25 -2.65 0.00 0.00 178.83 178.83 1of6 h LEU 186 N 0.43 0.81 -0.35 -2.39 5.85 -1.94 -0.36 115.31 117.36 1of6 h LEU 186 Ca 0.31 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 1of6 h LEU 186 Cb 0.38 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1of6 h LEU 186 CO -0.30 0.70 -0.77 0.45 -0.34 0.00 0.00 178.44 178.18 1of6 h HIS 187 N 0.90 0.00 -0.24 1.25 3.86 -1.73 -0.77 115.15 118.42 1of6 h HIS 187 Ca 0.22 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.31 1of6 h HIS 187 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1of6 h HIS 187 CO 0.01 0.77 -0.37 0.00 0.86 0.00 0.00 177.93 179.20 1of6 h ARG 188 N 0.00 0.53 -0.43 2.45 3.08 -0.27 -2.62 114.38 117.13 1of6 h ARG 188 Ca -0.01 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 1of6 h ARG 188 Cb 1.42 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 1of6 h ARG 188 CO 0.10 0.82 -0.29 0.93 -1.07 0.00 0.00 179.97 180.46 1of6 h GLU 189 N 0.45 0.93 -0.53 0.04 5.08 -1.05 -2.47 114.58 117.02 1of6 h GLU 189 Ca 0.04 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1of6 h GLU 189 Cb 0.85 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1of6 h GLU 189 CO 0.07 1.10 0.26 1.25 -1.00 0.00 0.00 179.01 180.69 1of6 h LEU 190 N 0.79 0.69 -1.25 1.33 5.85 -1.12 -3.00 115.31 118.59 1of6 h LEU 190 Ca 0.09 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1of6 h LEU 190 Cb 0.87 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1of6 h LEU 190 CO 0.08 0.62 0.53 0.00 -0.34 0.00 0.00 178.44 179.32 1of6 h ALA 191 N 1.10 1.55 0.00 1.25 0.00 -1.32 -2.09 119.26 119.75 1of6 h ALA 191 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1of6 h ALA 191 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1of6 h ALA 191 CO -0.02 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1of6 n SER 192 N -4.46 0.47 -0.30 0.00 3.41 -0.95 -2.58 113.62 109.21 1of6 n SER 192 Ca 0.11 0.69 0.03 0.00 -0.26 0.00 0.00 58.87 59.44 1of6 n SER 192 Cb 0.15 -0.76 0.05 0.00 -0.26 0.00 0.00 64.21 63.39 1of6 n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1of6 n GLY 193 N -1.06 0.86 3.83 5.00 0.00 -0.80 -1.48 105.19 111.55 1of6 n GLY 193 Ca -0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1of6 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1of6 s LEU 194 N -0.74 4.42 -0.01 0.99 1.43 -1.06 -4.96 118.68 118.74 1of6 s LEU 194 Ca 0.10 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1of6 s LEU 194 Cb 0.06 -3.10 0.01 0.00 0.03 0.00 0.00 46.19 43.20 1of6 s LEU 194 CO 0.08 0.18 0.74 -1.20 0.23 0.00 0.00 176.35 176.38 1of6 n SER 195 N 1.21 1.91 -3.97 2.29 7.64 -1.26 -4.85 113.62 116.59 1of6 n SER 195 Ca -0.08 -2.02 -0.09 0.00 1.01 0.00 0.00 58.87 57.69 1of6 n SER 195 Cb 0.51 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 1of6 n SER 195 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1of6 s PHE 196 N -0.62 0.34 0.47 1.43 -0.12 -1.26 -5.05 117.98 113.16 1of6 s PHE 196 Ca 0.01 -0.70 -0.25 0.00 -0.05 0.00 0.00 56.93 55.95 1of6 s PHE 196 Cb 0.01 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.47 1of6 s PHE 196 CO 0.00 -0.93 1.39 -2.14 -0.05 0.00 0.00 175.22 173.49 1of6 s PRO 197 N -4.00 3.61 -0.14 1.99 0.02 -1.26 -4.88 135.00 130.34 1of6 s PRO 197 Ca 0.21 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1of6 s PRO 197 Cb 0.00 -2.57 0.02 0.00 0.02 0.00 0.00 34.50 31.97 1of6 s PRO 197 CO 0.06 -0.85 -0.17 0.08 -0.33 0.00 0.00 177.00 175.80 1of6 s VAL 198 N -1.24 1.69 -0.21 3.83 1.01 -0.95 -1.72 120.40 122.81 1of6 s VAL 198 Ca 0.63 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1of6 s VAL 198 Cb -0.42 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1of6 s VAL 198 CO 0.53 0.48 0.27 -0.83 0.00 0.00 0.00 175.10 175.55 1of6 s GLY 199 N 1.18 2.07 -0.26 4.51 0.00 -0.69 -1.66 107.32 112.47 1of6 s GLY 199 Ca -0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1of6 s GLY 199 CO -0.06 0.55 0.17 -1.36 0.00 0.00 0.00 173.10 172.40 1of6 s PHE 200 N 1.01 3.26 0.42 1.90 0.08 0.00 -0.65 117.98 124.01 1of6 s PHE 200 Ca 0.14 0.17 -0.22 0.00 0.12 0.00 0.00 56.93 57.13 1of6 s PHE 200 Cb -0.14 -2.33 -0.10 0.00 -0.57 0.00 0.00 43.02 39.89 1of6 s PHE 200 CO 0.05 -0.05 0.99 0.15 -0.10 0.00 0.00 175.22 176.26 1of6 s LYS 201 N 1.42 4.15 1.07 0.44 1.02 -0.86 -1.17 119.74 125.82 1of6 s LYS 201 Ca 0.07 1.30 -0.12 0.00 0.02 0.00 0.00 55.97 57.24 1of6 s LYS 201 Cb -0.15 -2.33 0.21 0.00 -0.52 0.00 0.00 37.83 35.05 1of6 s LYS 201 CO 0.08 -0.11 0.96 0.27 -0.92 0.00 0.00 175.35 175.62 1of6 n ASN 202 N -0.42 -1.05 -4.69 2.83 6.94 -0.47 -4.54 115.26 113.86 1of6 n ASN 202 Ca 0.06 0.08 -0.32 0.00 -0.02 0.00 0.00 54.58 54.38 1of6 n ASN 202 Cb 0.52 -1.32 0.14 0.00 -2.36 0.00 0.00 39.78 36.76 1of6 n ASN 202 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1of6 s GLY 203 N -2.43 1.94 0.55 4.83 0.00 -0.40 -4.48 107.32 107.33 1of6 s GLY 203 Ca 0.66 0.70 0.31 0.00 0.00 0.00 0.00 44.72 46.39 1of6 s GLY 203 CO 0.63 1.11 2.12 -0.91 0.00 0.00 0.00 173.10 176.05 1of6 h THR 204 N -1.27 0.42 0.00 0.90 1.35 -1.86 -1.35 112.91 111.10 1of6 h THR 204 Ca -0.45 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1of6 h THR 204 Cb 1.28 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1of6 h THR 204 CO 0.45 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 174.90 1of6 n ASP 205 N -3.52 0.00 0.00 5.36 5.75 -1.26 -1.85 116.55 121.03 1of6 n ASP 205 Ca -0.02 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1of6 n ASP 205 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1of6 n ASP 205 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1of6 n GLY 206 N 0.63 0.73 3.87 6.12 0.00 -0.51 -2.03 105.19 114.00 1of6 n GLY 206 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1of6 n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of6 s THR 207 N -2.98 4.92 -0.15 2.61 -4.23 -1.26 -4.78 115.64 109.77 1of6 s THR 207 Ca 0.00 0.56 0.22 0.00 -1.18 0.00 0.00 61.69 61.29 1of6 s THR 207 Cb 0.00 -3.65 -0.30 0.00 1.34 0.00 0.00 72.50 69.89 1of6 s THR 207 CO 0.00 0.01 0.57 -0.11 -0.54 0.00 0.00 174.62 174.55 1of6 n LEU 208 N 0.12 0.16 -0.35 4.79 7.94 -1.26 -1.28 117.00 127.12 1of6 n LEU 208 Ca -0.01 -0.03 0.01 0.00 -1.11 0.00 0.00 56.01 54.87 1of6 n LEU 208 Cb 0.52 -0.01 0.16 0.00 0.53 0.00 0.00 43.42 44.62 1of6 n LEU 208 CO 0.44 0.02 1.25 0.78 -1.11 0.00 0.00 177.39 178.76 1of6 h ASN 209 N 0.00 0.99 -0.07 1.96 4.21 -1.99 -2.32 115.58 118.35 1of6 h ASN 209 Ca 0.00 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 1of6 h ASN 209 Cb 0.94 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1of6 h ASN 209 CO 0.00 0.64 -0.21 -0.37 -1.29 0.00 0.00 177.43 176.21 1of6 h VAL 210 N 1.13 1.25 -0.02 2.81 -1.51 -1.96 -2.07 116.25 115.89 1of6 h VAL 210 Ca 0.41 -1.17 -0.22 0.00 -1.23 0.00 0.00 66.70 64.49 1of6 h VAL 210 Cb 0.13 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1of6 h VAL 210 CO -0.16 0.37 -0.91 0.00 -1.23 0.00 0.00 177.57 175.64 1of6 h ALA 211 N 1.36 0.39 -0.25 5.19 0.00 -1.67 -1.73 119.26 122.56 1of6 h ALA 211 Ca 0.07 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1of6 h ALA 211 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1of6 h ALA 211 CO 0.04 0.80 -0.00 0.28 0.00 0.00 0.00 179.25 180.37 1of6 h VAL 212 N 0.25 1.26 -1.00 0.00 2.07 -1.43 -2.14 116.25 115.26 1of6 h VAL 212 Ca -0.07 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1of6 h VAL 212 Cb 1.54 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1of6 h VAL 212 CO 0.16 0.29 0.65 0.44 0.02 0.00 0.00 177.57 179.13 1of6 h ASP 213 N 0.22 1.06 -0.33 0.57 3.32 -1.39 -1.40 116.42 118.47 1of6 h ASP 213 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1of6 h ASP 213 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1of6 h ASP 213 CO 0.01 0.69 0.16 0.00 -1.72 0.00 0.00 179.24 178.39 1of6 h ALA 214 N 1.44 0.42 -0.61 3.45 0.00 -1.14 -1.47 119.26 121.34 1of6 h ALA 214 Ca 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1of6 h ALA 214 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1of6 h ALA 214 CO -0.16 -0.03 0.27 0.00 0.00 0.00 0.00 179.25 179.33 1of6 h GLN 216 N 0.84 0.07 -0.01 0.00 1.08 -1.11 -2.69 115.11 113.30 1of6 h GLN 216 Ca 0.21 -0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.23 1of6 h GLN 216 Cb 0.16 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1of6 h GLN 216 CO -0.02 0.05 -0.80 0.00 -0.95 0.00 0.00 178.83 177.11 1of6 h ALA 217 N 1.15 0.65 0.00 3.87 0.00 -0.97 -2.94 119.26 121.03 1of6 h ALA 217 Ca 0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1of6 h ALA 217 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1of6 h ALA 217 CO -0.14 0.92 -0.02 0.00 0.00 0.00 0.00 179.25 180.01 1of6 h ALA 218 N 1.11 1.01 0.00 0.00 0.00 -1.09 -2.54 119.26 117.76 1of6 h ALA 218 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1of6 h ALA 218 Cb 1.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1of6 h ALA 218 CO 0.11 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1of6 h ALA 219 N 1.98 1.00 -2.15 0.00 0.00 -1.28 -0.65 119.26 118.17 1of6 h ALA 219 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1of6 h ALA 219 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1of6 h ALA 219 CO 0.00 0.00 -0.46 -1.01 0.00 0.00 0.00 179.25 177.78 1of6 s HIS 220 N -3.51 3.26 0.24 0.00 3.76 -0.96 -3.82 115.29 114.26 1of6 s HIS 220 Ca 0.03 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 1of6 s HIS 220 Cb 0.09 -1.54 -0.09 0.00 1.11 0.00 0.00 32.58 32.15 1of6 s HIS 220 CO 0.49 0.43 1.05 0.45 -0.85 0.00 0.00 174.74 176.31 1of6 s SER 221 N -3.94 7.39 0.18 1.40 0.15 -1.26 -3.87 113.70 113.76 1of6 s SER 221 Ca 0.35 2.12 0.00 0.00 0.70 0.00 0.00 55.95 59.12 1of6 s SER 221 Cb -0.08 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1of6 s SER 221 CO 0.27 -0.06 0.06 -1.00 1.20 0.00 0.00 173.24 173.71 1of6 s HIS 222 N -0.94 1.12 -0.26 3.44 3.76 -1.26 -4.93 115.29 116.22 1of6 s HIS 222 Ca 0.44 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1of6 s HIS 222 Cb -0.29 -0.62 0.04 0.00 1.11 0.00 0.00 32.58 32.83 1of6 s HIS 222 CO 0.37 -0.44 -0.07 -1.01 -0.85 0.00 0.00 174.74 172.74 1of6 s HIS 223 N -3.93 3.18 0.41 1.40 3.76 -1.26 -0.35 115.29 118.50 1of6 s HIS 223 Ca 0.29 -1.93 0.07 0.00 -0.15 0.00 0.00 55.06 53.34 1of6 s HIS 223 Cb 0.07 -2.02 -0.07 0.00 1.11 0.00 0.00 32.58 31.67 1of6 s HIS 223 CO 0.06 -0.81 0.08 -0.59 -0.85 0.00 0.00 174.74 172.64 1of6 s PHE 224 N 1.22 2.54 -0.72 1.40 -0.71 0.27 -4.89 117.98 117.09 1of6 s PHE 224 Ca -0.04 -0.64 -0.22 0.00 -1.04 0.00 0.00 56.93 54.98 1of6 s PHE 224 Cb -0.19 -1.85 0.08 0.00 -1.21 0.00 0.00 43.02 39.85 1of6 s PHE 224 CO -0.04 0.33 1.03 -1.64 -1.34 0.00 0.00 175.22 173.56 1of6 s MET 225 N -3.80 3.21 0.00 1.99 -1.94 -1.26 -0.39 119.30 117.11 1of6 s MET 225 Ca 0.37 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1of6 s MET 225 Cb 0.07 -4.38 0.00 0.00 2.01 0.00 0.00 34.83 32.54 1of6 s MET 225 CO 0.20 -1.85 0.00 0.41 -0.01 0.00 0.00 175.02 173.77 1of6 n GLY 226 N 5.42 3.78 3.31 -0.03 0.00 -0.06 -4.89 105.19 112.72 1of6 n GLY 226 Ca 0.02 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 1of6 n GLY 226 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1of6 s VAL 227 N 0.59 1.87 0.91 1.61 -7.23 -1.26 -1.90 120.40 114.99 1of6 s VAL 227 Ca 0.00 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 58.52 1of6 s VAL 227 Cb 0.00 -1.67 0.14 0.00 0.56 0.00 0.00 36.38 35.41 1of6 s VAL 227 CO 0.00 0.05 1.12 0.42 -0.31 0.00 0.00 175.10 176.37 1of6 s THR 228 N -1.05 2.28 0.61 5.32 -4.23 0.61 -4.86 115.64 114.32 1of6 s THR 228 Ca 0.09 0.09 0.33 0.00 -1.18 0.00 0.00 61.69 61.02 1of6 s THR 228 Cb -0.10 -2.76 0.38 0.00 1.34 0.00 0.00 72.50 71.36 1of6 s THR 228 CO 0.04 -0.12 2.27 0.11 -0.54 0.00 0.00 174.62 176.38 1of6 h LYS 229 N -1.51 0.00 -0.57 3.99 1.79 -1.96 -1.30 116.57 117.01 1of6 h LYS 229 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1of6 h LYS 229 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1of6 h LYS 229 CO 0.60 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.69 1of6 n HIS 230 N -3.64 0.81 -0.56 -1.35 8.25 -1.26 -0.73 115.22 116.73 1of6 n HIS 230 Ca -0.03 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1of6 n HIS 230 Cb 0.11 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1of6 n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1of6 n GLY 231 N 1.32 0.66 3.80 -1.41 0.00 -0.49 -4.84 105.19 104.24 1of6 n GLY 231 Ca 0.19 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1of6 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1of6 s VAL 232 N -2.00 5.07 0.33 1.61 1.01 -1.26 -4.85 120.40 120.30 1of6 s VAL 232 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1of6 s VAL 232 Cb 0.00 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.08 1of6 s VAL 232 CO 0.00 0.60 1.53 0.00 0.00 0.00 0.00 175.10 177.23 1of6 s ALA 233 N -0.89 3.66 0.04 5.51 0.00 -1.26 -0.28 121.76 128.54 1of6 s ALA 233 Ca 0.14 1.55 -0.07 0.00 0.00 0.00 0.00 51.96 53.59 1of6 s ALA 233 Cb -0.12 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1of6 s ALA 233 CO 0.03 -1.00 0.13 0.00 0.00 0.00 0.00 175.76 174.92 1of6 s ALA 234 N -0.55 -0.13 -0.40 0.00 0.00 -0.80 -4.82 121.76 115.07 1of6 s ALA 234 Ca 0.58 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 1of6 s ALA 234 Cb -0.47 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1of6 s ALA 234 CO 0.55 -0.35 1.81 0.42 0.00 0.00 0.00 175.76 178.19 1of6 s ILE 235 N -2.79 3.46 -0.28 0.00 1.01 -1.26 -0.88 121.20 120.46 1of6 s ILE 235 Ca -0.03 0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1of6 s ILE 235 Cb -0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1of6 s ILE 235 CO -0.05 -0.52 0.15 -0.89 0.00 0.00 0.00 174.94 173.62 1of6 s THR 236 N 7.43 4.87 -0.12 2.92 2.01 0.47 -4.94 115.64 128.29 1of6 s THR 236 Ca 0.77 -0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 1of6 s THR 236 Cb -0.20 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1of6 s THR 236 CO 0.31 0.25 0.30 -0.89 -0.69 0.00 0.00 174.62 173.90 1of6 s THR 237 N 1.69 5.27 0.32 -0.82 2.01 -1.26 -0.56 115.64 122.28 1of6 s THR 237 Ca 0.06 0.58 0.09 0.00 0.31 0.00 0.00 61.69 62.73 1of6 s THR 237 Cb -0.16 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1of6 s THR 237 CO 0.08 0.47 0.06 0.42 -0.69 0.00 0.00 174.62 174.96 1of6 s THR 238 N -0.11 3.06 -0.02 -0.82 -4.23 0.52 -4.97 115.64 109.06 1of6 s THR 238 Ca 0.18 -1.83 0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1of6 s THR 238 Cb -0.14 -2.89 -0.17 0.00 1.34 0.00 0.00 72.50 70.64 1of6 s THR 238 CO 0.06 -0.25 0.96 0.50 -0.54 0.00 0.00 174.62 175.36 1of6 h LYS 239 N 1.72 0.00 0.00 3.99 3.64 -1.88 -3.35 116.57 120.68 1of6 h LYS 239 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1of6 h LYS 239 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1of6 h LYS 239 CO 0.63 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.82 1of6 n GLY 240 N 1.43 1.98 2.90 5.01 0.00 -0.55 -4.09 105.19 111.88 1of6 n GLY 240 Ca -0.08 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1of6 n GLY 240 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1of6 s ASN 241 N -0.10 3.62 0.00 1.61 3.84 -0.25 -4.85 114.94 118.81 1of6 s ASN 241 Ca 0.00 -1.08 0.28 0.00 0.21 0.00 0.00 52.86 52.27 1of6 s ASN 241 Cb 0.00 -1.07 1.10 0.00 -0.55 0.00 0.00 41.25 40.73 1of6 s ASN 241 CO 0.00 -0.24 1.77 -1.84 -2.79 0.00 0.00 177.10 174.00 1of6 n GLU 242 N 4.75 1.15 -1.74 0.43 0.00 -1.26 -3.70 120.64 120.26 1of6 n GLU 242 Ca -0.12 -0.57 -0.31 0.00 0.00 0.00 0.00 57.16 56.16 1of6 n GLU 242 Cb 0.45 -1.49 0.05 0.00 0.00 0.00 0.00 31.44 30.45 1of6 n GLU 242 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1of6 n HIS 243 N -0.43 3.05 -3.67 -1.84 8.25 -1.26 -4.93 115.22 114.39 1of6 n HIS 243 Ca 0.17 -2.68 -0.37 0.00 -0.26 0.00 0.00 57.72 54.57 1of6 n HIS 243 Cb 0.31 -0.92 -0.06 0.00 1.12 0.00 0.00 29.99 30.44 1of6 n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1of6 s PHE 245 N -0.91 0.27 -0.04 0.00 -0.71 -0.66 -4.47 117.98 111.46 1of6 s PHE 245 Ca 0.19 -0.67 -0.22 0.00 -1.04 0.00 0.00 56.93 55.20 1of6 s PHE 245 Cb -0.14 -0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.57 1of6 s PHE 245 CO 0.08 -0.63 0.63 0.08 -1.34 0.00 0.00 175.22 174.04 1of6 s VAL 246 N -3.91 4.98 -0.25 -2.49 1.01 -1.26 -0.82 120.40 117.65 1of6 s VAL 246 Ca 0.11 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 1of6 s VAL 246 Cb 0.04 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1of6 s VAL 246 CO -0.06 0.34 0.04 -0.63 0.00 0.00 0.00 175.10 174.80 1of6 s ILE 247 N 0.27 3.93 -0.27 2.22 1.01 -0.31 -1.51 121.20 126.54 1of6 s ILE 247 Ca 0.33 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 1of6 s ILE 247 Cb -0.18 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 1of6 s ILE 247 CO 0.17 0.29 0.84 -0.76 0.00 0.00 0.00 174.94 175.49 1of6 s LEU 248 N 1.54 4.07 -0.01 2.97 1.43 0.60 -1.37 118.68 127.92 1of6 s LEU 248 Ca 0.05 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1of6 s LEU 248 Cb -0.15 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.90 1of6 s LEU 248 CO 0.01 -0.58 0.77 -2.11 0.23 0.00 0.00 176.35 174.67 1of6 n ARG 249 N 6.15 0.29 0.00 1.70 -4.01 -1.26 -0.59 116.66 118.94 1of6 n ARG 249 Ca 0.06 -0.88 0.00 0.00 -1.04 0.00 0.00 57.85 55.98 1of6 n ARG 249 Cb 0.48 -0.59 0.00 0.00 -3.04 0.00 0.00 32.46 29.30 1of6 n ARG 249 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1of6 n GLY 250 N -0.12 -0.53 0.00 2.89 0.00 -1.26 -2.08 105.19 104.09 1of6 n GLY 250 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1of6 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1of6 n GLY 251 N 0.00 0.70 0.35 -0.02 0.00 -1.24 -3.96 105.19 101.02 1of6 n GLY 251 Ca 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.99 1of6 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1of6 h LYS 252 N 7.70 1.02 0.00 1.61 1.79 -1.47 0.39 116.57 127.61 1of6 h LYS 252 Ca 0.00 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1of6 h LYS 252 Cb 0.00 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.42 1of6 h LYS 252 CO 0.00 0.68 -0.00 -0.22 -1.08 0.00 0.00 179.45 178.82 1of6 h LYS 253 N 1.05 0.00 0.00 3.15 3.11 -1.71 -3.48 116.57 118.69 1of6 h LYS 253 Ca 0.44 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1of6 h LYS 253 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1of6 h LYS 253 CO -0.21 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 176.85 1of6 n GLY 254 N -0.99 2.02 3.58 5.01 0.00 0.13 -5.06 105.19 109.88 1of6 n GLY 254 Ca -0.03 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 1of6 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1of6 n THR 255 N -1.12 0.00 -2.77 2.61 -2.24 -1.26 -3.68 114.28 105.82 1of6 n THR 255 Ca 0.00 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1of6 n THR 255 Cb 0.00 -0.87 0.08 0.00 -2.10 0.00 0.00 70.33 67.44 1of6 n THR 255 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1of6 n ASN 256 N -3.30 0.47 -0.72 3.42 0.23 -1.26 -4.91 115.26 109.19 1of6 n ASN 256 Ca 0.10 -2.12 0.07 0.00 -0.53 0.00 0.00 54.58 52.10 1of6 n ASN 256 Cb 0.53 -0.06 0.14 0.00 -2.08 0.00 0.00 39.78 38.31 1of6 n ASN 256 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1of6 n TYR 257 N -0.90 0.36 -3.73 -2.53 0.18 -1.26 -4.44 117.16 104.85 1of6 n TYR 257 Ca -0.02 -0.31 -0.26 0.00 1.88 0.00 0.00 57.90 59.19 1of6 n TYR 257 Cb 0.83 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.75 1of6 n TYR 257 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1of6 s ASP 258 N -1.07 6.36 0.43 9.48 1.47 -1.26 -4.61 116.67 127.47 1of6 s ASP 258 Ca 0.25 0.34 0.20 0.00 1.18 0.00 0.00 52.55 54.52 1of6 s ASP 258 Cb 0.14 -1.98 1.14 0.00 -0.34 0.00 0.00 42.92 41.88 1of6 s ASP 258 CO 0.19 -0.06 1.83 0.00 0.68 0.00 0.00 175.17 177.82 1of6 h ALA 259 N 1.83 2.31 0.04 2.11 0.00 -1.95 -0.42 119.26 123.17 1of6 h ALA 259 Ca -0.49 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 1of6 h ALA 259 Cb 1.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1of6 h ALA 259 CO 0.67 -0.63 -1.07 -0.22 0.00 0.00 0.00 179.25 177.99 1of6 h LYS 260 N 0.35 0.66 0.10 0.00 1.63 -1.99 -1.85 116.57 115.47 1of6 h LYS 260 Ca 0.51 -0.76 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1of6 h LYS 260 Cb 1.36 0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 33.22 1of6 h LYS 260 CO -0.19 1.33 -0.06 0.77 -3.45 0.00 0.00 179.45 177.86 1of6 h SER 261 N 0.32 -0.14 -0.73 4.20 0.02 -1.67 -1.31 113.55 114.24 1of6 h SER 261 Ca -0.14 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1of6 h SER 261 Cb 1.74 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 64.20 1of6 h SER 261 CO 0.21 -0.09 0.13 0.58 -1.14 0.00 0.00 176.83 176.52 1of6 h VAL 262 N -0.15 0.48 -0.15 2.27 2.07 -1.15 0.32 116.25 119.93 1of6 h VAL 262 Ca -0.01 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 1of6 h VAL 262 Cb 0.12 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1of6 h VAL 262 CO 0.01 0.04 -0.54 0.00 0.02 0.00 0.00 177.57 177.10 1of6 h ALA 263 N 1.62 0.78 -0.83 1.67 0.00 -1.14 0.83 119.26 122.20 1of6 h ALA 263 Ca 0.41 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1of6 h ALA 263 Cb 0.70 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 1of6 h ALA 263 CO -0.54 0.69 0.46 0.93 0.00 0.00 0.00 179.25 180.79 1of6 h GLU 264 N 0.35 0.73 -0.03 0.00 5.08 -0.37 -2.53 114.58 117.81 1of6 h GLU 264 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1of6 h GLU 264 Cb 1.06 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1of6 h GLU 264 CO 0.10 0.48 0.01 0.00 -1.00 0.00 0.00 179.01 178.59 1of6 h ALA 265 N 1.48 0.03 0.00 3.43 0.00 0.05 -3.09 119.26 121.16 1of6 h ALA 265 Ca 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1of6 h ALA 265 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1of6 h ALA 265 CO -0.27 -0.35 -0.16 0.87 0.00 0.00 0.00 179.25 179.34 1of6 h LYS 266 N -0.17 0.00 0.00 0.00 1.57 -0.64 -1.54 116.57 115.79 1of6 h LYS 266 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1of6 h LYS 266 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1of6 h LYS 266 CO -0.00 0.16 -0.05 0.00 -0.57 0.00 0.00 179.45 178.99 1of6 n ALA 267 N -2.49 2.42 0.27 3.86 0.00 -0.97 -2.80 120.51 120.79 1of6 n ALA 267 Ca -0.02 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1of6 n ALA 267 Cb 0.23 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1of6 n ALA 267 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1of6 n GLN 268 N -1.66 0.49 -2.18 0.00 6.02 -0.59 -4.97 117.38 114.49 1of6 n GLN 268 Ca 0.07 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 1of6 n GLN 268 Cb 0.36 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 1of6 n GLN 268 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1of6 s LEU 269 N -4.66 4.40 1.02 1.08 1.43 -1.12 -5.04 118.68 115.78 1of6 s LEU 269 Ca -0.00 2.40 -0.14 0.00 -1.03 0.00 0.00 54.13 55.35 1of6 s LEU 269 Cb 0.12 -3.60 0.20 0.00 0.03 0.00 0.00 46.19 42.94 1of6 s LEU 269 CO 0.81 -0.59 1.13 -2.84 0.23 0.00 0.00 176.35 175.09 1of6 s PRO 270 N 0.30 0.26 0.10 1.29 0.02 -1.26 -4.95 135.00 130.75 1of6 s PRO 270 Ca 0.60 0.24 -0.36 0.00 0.02 0.00 0.00 61.00 61.50 1of6 s PRO 270 Cb -0.37 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 32.24 1of6 s PRO 270 CO 0.36 -2.79 1.15 0.00 -0.33 0.00 0.00 177.00 175.39 1of6 n ALA 271 N -4.17 -1.76 -0.67 -1.55 0.00 -1.26 -2.75 120.51 108.35 1of6 n ALA 271 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1of6 n ALA 271 Cb 0.59 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1of6 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1of6 n GLY 272 N 2.05 0.78 3.73 0.00 0.00 -1.26 -5.03 105.19 105.45 1of6 n GLY 272 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1of6 n GLY 272 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1of6 s SER 273 N -2.66 4.44 0.68 1.61 0.01 -1.11 -5.03 113.70 111.64 1of6 s SER 273 Ca 0.00 2.45 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 1of6 s SER 273 Cb 0.00 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.71 1of6 s SER 273 CO 0.00 -2.11 0.97 0.20 0.41 0.00 0.00 173.24 172.71 1of6 s ASN 274 N -1.77 4.73 0.64 2.44 0.01 -1.26 -5.01 114.94 114.72 1of6 s ASN 274 Ca 0.77 0.16 -0.17 0.00 -0.71 0.00 0.00 52.86 52.91 1of6 s ASN 274 Cb -0.32 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 40.55 1of6 s ASN 274 CO 0.42 -1.61 1.21 -0.83 -1.51 0.00 0.00 177.10 174.79 1of6 s GLY 275 N -4.56 2.62 0.33 0.66 0.00 -0.36 -4.88 107.32 101.13 1of6 s GLY 275 Ca 0.61 0.98 -0.26 0.00 0.00 0.00 0.00 44.72 46.05 1of6 s GLY 275 CO 0.43 1.38 0.97 1.08 0.00 0.00 0.00 173.10 176.96 1of6 s LEU 276 N -4.45 4.34 -0.01 0.66 1.43 -0.12 -4.49 118.68 116.03 1of6 s LEU 276 Ca 0.77 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.81 1of6 s LEU 276 Cb -0.30 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1of6 s LEU 276 CO 0.38 -0.12 -0.14 -0.32 0.23 0.00 0.00 176.35 176.38 1of6 s MET 277 N -2.05 2.38 -0.24 1.70 -2.45 -0.57 -1.10 119.30 116.97 1of6 s MET 277 Ca 0.51 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1of6 s MET 277 Cb -0.20 -2.35 0.02 0.00 1.25 0.00 0.00 34.83 33.55 1of6 s MET 277 CO 0.26 0.59 -0.07 0.42 1.05 0.00 0.00 175.02 177.27 1of6 s ILE 278 N -0.86 2.92 -0.25 10.11 1.01 -0.01 -0.29 121.20 133.82 1of6 s ILE 278 Ca 0.14 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1of6 s ILE 278 Cb -0.11 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1of6 s ILE 278 CO 0.04 0.26 1.14 -0.62 0.00 0.00 0.00 174.94 175.76 1of6 s ASP 279 N 1.35 6.95 0.26 3.58 2.15 0.25 -0.90 116.67 130.32 1of6 s ASP 279 Ca 0.02 1.32 0.03 0.00 0.43 0.00 0.00 52.55 54.35 1of6 s ASP 279 Cb -0.16 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.27 1of6 s ASP 279 CO -0.05 -0.81 1.66 1.88 -0.17 0.00 0.00 175.17 177.68 1of6 h TYR 280 N 8.07 0.47 -1.58 -5.34 -1.99 -1.35 -3.43 116.97 111.82 1of6 h TYR 280 Ca -0.22 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.38 1of6 h TYR 280 Cb 1.07 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1of6 h TYR 280 CO 0.80 0.74 0.00 0.45 -0.00 0.00 0.00 178.16 180.15 1of6 n SER 281 N -4.03 0.00 0.00 3.88 2.88 -1.26 -3.14 113.62 111.94 1of6 n SER 281 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1of6 n SER 281 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1of6 n SER 281 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1of6 n HIS 282 N 0.00 0.00 0.41 0.66 8.25 -1.26 -1.88 115.22 121.40 1of6 n HIS 282 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1of6 n HIS 282 Cb 0.00 0.00 0.49 0.00 1.12 0.00 0.00 29.99 31.60 1of6 n HIS 282 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1of6 n GLY 283 N 0.00 -1.32 0.03 -1.41 0.00 -0.88 -2.52 105.19 99.07 1of6 n GLY 283 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1of6 n GLY 283 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1of6 n ASN 284 N -2.27 0.58 -0.66 1.61 3.02 -0.79 -3.32 115.26 113.43 1of6 n ASN 284 Ca 0.02 -0.13 0.13 0.00 -0.03 0.00 0.00 54.58 54.58 1of6 n ASN 284 Cb 0.25 0.30 0.36 0.00 -0.61 0.00 0.00 39.78 40.07 1of6 n ASN 284 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1of6 n SER 285 N -1.76 2.07 -4.14 6.41 7.64 -1.05 -4.87 113.62 117.93 1of6 n SER 285 Ca 0.04 -1.69 -0.33 0.00 1.01 0.00 0.00 58.87 57.90 1of6 n SER 285 Cb 0.38 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 1of6 n SER 285 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1of6 n ASN 286 N 0.62 -2.75 -1.61 6.43 4.05 -1.21 -1.50 115.26 119.28 1of6 n ASN 286 Ca 0.17 -0.99 -0.09 0.00 0.45 0.00 0.00 54.58 54.12 1of6 n ASN 286 Cb 0.45 -2.90 0.03 0.00 1.23 0.00 0.00 39.78 38.59 1of6 n ASN 286 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1of6 n LYS 287 N -4.42 -2.86 -3.15 1.20 4.01 -1.26 -5.03 118.16 106.65 1of6 n LYS 287 Ca -0.01 0.30 0.05 0.00 -0.51 0.00 0.00 58.31 58.14 1of6 n LYS 287 Cb 0.54 -3.75 -0.01 0.00 -0.51 0.00 0.00 35.03 31.30 1of6 n LYS 287 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1of6 s ASP 288 N -3.11 -0.93 0.59 4.39 2.15 -0.56 -5.04 116.67 114.16 1of6 s ASP 288 Ca 0.21 0.52 0.30 0.00 0.43 0.00 0.00 52.55 54.01 1of6 s ASP 288 Cb -0.09 1.76 1.77 0.00 -0.30 0.00 0.00 42.92 46.05 1of6 s ASP 288 CO 0.26 -0.17 2.18 2.19 -0.17 0.00 0.00 175.17 179.46 1of6 h PHE 289 N 7.96 0.00 0.00 -5.34 -5.15 -1.82 -2.44 116.94 110.15 1of6 h PHE 289 Ca -0.17 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.60 1of6 h PHE 289 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.34 1of6 h PHE 289 CO 0.09 0.00 -0.04 0.00 -2.00 0.00 0.00 178.31 176.35 1of6 h ARG 290 N 0.00 0.00 0.00 6.09 3.08 -1.95 -0.44 114.38 121.16 1of6 h ARG 290 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1of6 h ARG 290 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1of6 h ARG 290 CO -0.00 0.04 0.00 0.09 -1.07 0.00 0.00 179.97 179.03 1of6 n ASN 291 N -3.18 0.42 0.30 7.04 3.02 -0.92 -3.96 115.26 117.99 1of6 n ASN 291 Ca -0.00 0.64 -0.17 0.00 -0.03 0.00 0.00 54.58 55.01 1of6 n ASN 291 Cb 0.29 -0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 38.66 1of6 n ASN 291 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1of6 h GLN 292 N 0.00 -0.89 -0.40 3.52 4.20 -1.27 -1.22 115.11 119.04 1of6 h GLN 292 Ca 0.00 0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.89 1of6 h GLN 292 Cb 0.20 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1of6 h GLN 292 CO 0.00 -0.60 0.42 -1.35 -0.67 0.00 0.00 178.83 176.63 1of6 h PRO 293 N -0.93 0.00 0.00 1.46 0.11 -1.81 0.13 132.00 130.96 1of6 h PRO 293 Ca -0.06 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.86 1of6 h PRO 293 Cb 0.80 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1of6 h PRO 293 CO -0.02 0.00 -0.90 0.87 -0.21 0.00 0.00 178.00 177.74 1of6 h LYS 294 N 0.00 0.00 -0.27 1.05 1.57 -1.62 -2.45 116.57 114.84 1of6 h LYS 294 Ca 0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1of6 h LYS 294 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1of6 h LYS 294 CO -0.00 0.90 -0.05 0.28 -0.57 0.00 0.00 179.45 180.01 1of6 h VAL 295 N 0.00 1.28 -0.96 0.50 2.07 0.39 -3.12 116.25 116.41 1of6 h VAL 295 Ca -0.01 -1.06 0.13 0.00 0.82 0.00 0.00 66.70 66.58 1of6 h VAL 295 Cb 1.64 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 32.75 1of6 h VAL 295 CO 0.12 0.33 0.61 -1.13 0.02 0.00 0.00 177.57 177.52 1of6 h ASN 296 N 0.27 0.82 -0.32 0.57 -1.24 -1.09 -1.52 115.58 113.07 1of6 h ASN 296 Ca 0.07 0.05 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 1of6 h ASN 296 Cb 0.52 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 1of6 h ASN 296 CO 0.02 0.42 -0.24 0.44 -1.29 0.00 0.00 177.43 176.79 1of6 h ASP 297 N 0.87 0.77 -0.13 1.15 3.32 -1.47 0.42 116.42 121.34 1of6 h ASP 297 Ca 0.48 -0.44 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 1of6 h ASP 297 Cb 0.60 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1of6 h ASP 297 CO -0.25 1.04 -0.24 0.58 -1.72 0.00 0.00 179.24 178.66 1of6 h VAL 298 N 0.49 1.27 0.19 -1.35 2.07 -1.33 0.30 116.25 117.90 1of6 h VAL 298 Ca 0.06 -1.29 -0.30 0.00 0.82 0.00 0.00 66.70 65.99 1of6 h VAL 298 Cb 0.79 1.30 0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1of6 h VAL 298 CO 0.06 0.42 -1.38 0.58 0.02 0.00 0.00 177.57 177.27 1of6 h VAL 299 N 0.51 1.20 -0.41 2.57 2.07 -1.03 -2.30 116.25 118.85 1of6 h VAL 299 Ca 0.07 -2.56 0.09 0.00 0.82 0.00 0.00 66.70 65.12 1of6 h VAL 299 Cb 0.69 2.95 -0.09 0.00 -1.52 0.00 0.00 31.29 33.32 1of6 h VAL 299 CO 0.05 0.78 -0.25 0.00 0.02 0.00 0.00 177.57 178.17 1of6 h GLU 301 N -0.17 0.50 -0.30 0.00 4.81 -0.84 0.75 114.58 119.33 1of6 h GLU 301 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1of6 h GLU 301 Cb 0.48 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1of6 h GLU 301 CO -0.52 0.33 0.09 1.96 -0.73 0.00 0.00 179.01 180.15 1of6 h GLN 302 N 0.51 0.46 0.81 1.92 4.20 -0.92 -2.28 115.11 119.82 1of6 h GLN 302 Ca 0.34 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1of6 h GLN 302 Cb 0.40 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1of6 h GLN 302 CO -0.30 0.51 -0.39 0.82 -0.67 0.00 0.00 178.83 178.81 1of6 h ILE 303 N 0.32 0.17 -0.99 2.54 2.04 -0.95 -1.55 117.51 119.09 1of6 h ILE 303 Ca 0.10 -0.07 0.27 0.00 1.00 0.00 0.00 64.86 66.16 1of6 h ILE 303 Cb 0.24 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 36.37 1of6 h ILE 303 CO -0.00 0.01 0.55 0.00 0.00 0.00 0.00 178.15 178.70 1of6 h ALA 304 N -0.98 1.79 -0.04 1.87 0.00 -0.89 0.53 119.26 121.53 1of6 h ALA 304 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1of6 h ALA 304 Cb 0.84 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1of6 h ALA 304 CO 0.18 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1of6 n ASN 305 N -4.98 0.35 0.00 0.00 3.02 -0.86 -3.84 115.26 108.95 1of6 n ASN 305 Ca 0.28 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1of6 n ASN 305 Cb 0.82 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 1of6 n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1of6 n GLY 306 N 0.79 1.34 3.56 7.41 0.00 0.19 -5.05 105.19 113.43 1of6 n GLY 306 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1of6 n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1of6 s GLU 307 N -0.34 2.61 0.40 1.61 2.56 -0.61 -4.82 118.70 120.11 1of6 s GLU 307 Ca 0.00 1.05 0.22 0.00 0.00 0.00 0.00 54.97 56.24 1of6 s GLU 307 Cb 0.00 -4.41 0.28 0.00 2.00 0.00 0.00 34.13 31.99 1of6 s GLU 307 CO 0.00 -2.72 1.55 -0.91 -0.56 0.00 0.00 175.26 172.63 1of6 h ASN 308 N 15.98 0.00 0.75 -1.70 2.35 -1.90 -3.35 115.58 127.71 1of6 h ASN 308 Ca -0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1of6 h ASN 308 Cb 1.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.57 1of6 h ASN 308 CO 1.16 0.09 -0.06 0.00 -1.65 0.00 0.00 177.43 176.96 1of6 h ALA 309 N 1.91 1.05 -2.14 -0.83 0.00 -1.96 -3.40 119.26 113.90 1of6 h ALA 309 Ca -0.00 -0.06 -0.62 0.00 0.00 0.00 0.00 54.91 54.23 1of6 h ALA 309 Cb 1.07 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1of6 h ALA 309 CO 0.01 0.08 0.31 0.42 0.00 0.00 0.00 179.25 180.07 1of6 s ILE 310 N -3.82 4.72 -0.36 0.00 1.01 -1.26 -0.94 121.20 120.55 1of6 s ILE 310 Ca -0.00 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.27 1of6 s ILE 310 Cb 0.10 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1of6 s ILE 310 CO 0.55 -0.56 0.32 0.35 0.00 0.00 0.00 174.94 175.60 1of6 n THR 311 N 5.93 0.00 -3.71 2.92 -2.24 -0.26 -4.93 114.28 111.99 1of6 n THR 311 Ca 0.02 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1of6 n THR 311 Cb 0.48 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1of6 n THR 311 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1of6 s GLY 312 N -1.32 -0.20 0.13 3.38 0.00 -1.08 -0.47 107.32 107.77 1of6 s GLY 312 Ca 0.03 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.97 1of6 s GLY 312 CO 0.19 -0.06 -0.09 -1.34 0.00 0.00 0.00 173.10 171.81 1of6 s VAL 313 N -2.43 0.99 -0.03 1.40 -7.23 0.46 -0.83 120.40 112.73 1of6 s VAL 313 Ca -0.06 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1of6 s VAL 313 Cb -0.01 -1.80 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 1of6 s VAL 313 CO -0.02 -0.79 -0.16 -0.32 -0.31 0.00 0.00 175.10 173.50 1of6 s MET 314 N -3.78 1.60 -0.02 4.82 -2.45 -0.08 -0.37 119.30 119.02 1of6 s MET 314 Ca 0.15 -0.57 0.01 0.00 -1.25 0.00 0.00 55.69 54.03 1of6 s MET 314 Cb 0.04 -1.43 0.01 0.00 1.25 0.00 0.00 34.83 34.70 1of6 s MET 314 CO -0.01 0.25 -0.02 0.42 1.05 0.00 0.00 175.02 176.71 1of6 s ILE 315 N -0.03 0.27 -0.33 10.11 1.01 -0.42 -0.98 121.20 130.83 1of6 s ILE 315 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 1of6 s ILE 315 Cb -0.10 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1of6 s ILE 315 CO 0.01 0.13 0.21 -1.61 0.00 0.00 0.00 174.94 173.68 1of6 s GLU 316 N 0.50 3.51 -0.10 2.79 2.02 -1.26 -1.67 118.70 124.49 1of6 s GLU 316 Ca -0.05 -0.63 -0.10 0.00 0.02 0.00 0.00 54.97 54.21 1of6 s GLU 316 Cb -0.08 -3.73 0.03 0.00 0.10 0.00 0.00 34.13 30.44 1of6 s GLU 316 CO -0.01 -0.41 0.28 0.45 0.02 0.00 0.00 175.26 175.59 1of6 s SER 317 N 1.70 -0.29 0.25 -0.19 0.15 -0.02 -1.41 113.70 113.90 1of6 s SER 317 Ca 0.06 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1of6 s SER 317 Cb -0.17 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1of6 s SER 317 CO 0.10 -0.10 0.15 0.21 1.20 0.00 0.00 173.24 174.80 1of6 s ASN 318 N 0.13 0.84 0.04 5.45 3.84 -0.69 -0.31 114.94 124.24 1of6 s ASN 318 Ca -0.00 -1.48 -0.09 0.00 0.21 0.00 0.00 52.86 51.50 1of6 s ASN 318 Cb -0.02 0.37 -0.03 0.00 -0.55 0.00 0.00 41.25 41.02 1of6 s ASN 318 CO 0.00 -0.87 1.15 0.40 -2.79 0.00 0.00 177.10 175.00 1of6 h ILE 319 N 2.42 0.00 -3.01 -5.21 2.04 -1.88 -1.52 117.51 110.35 1of6 h ILE 319 Ca -0.34 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 64.90 1of6 h ILE 319 Cb 1.25 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 1of6 h ILE 319 CO 0.52 0.00 -0.59 0.20 0.00 0.00 0.00 178.15 178.28 1of6 s ASN 320 N -3.42 5.54 1.07 1.72 0.01 -0.70 0.00 114.94 119.16 1of6 s ASN 320 Ca -0.04 -0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 51.92 1of6 s ASN 320 Cb 0.02 -1.47 0.21 0.00 0.41 0.00 0.00 41.25 40.42 1of6 s ASN 320 CO 0.17 0.13 1.01 -1.84 -1.51 0.00 0.00 177.10 175.06 1of6 n GLU 321 N 0.17 -1.65 0.00 -0.60 0.28 -1.26 -4.41 120.64 113.16 1of6 n GLU 321 Ca -0.08 -1.58 0.00 0.00 -0.16 0.00 0.00 57.16 55.34 1of6 n GLU 321 Cb 0.53 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.21 1of6 n GLU 321 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1of6 n GLY 322 N -2.52 0.95 3.23 -1.84 0.00 0.10 -4.77 105.19 100.35 1of6 n GLY 322 Ca 0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1of6 n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of6 s ASN 323 N -4.00 0.47 0.02 1.61 2.20 -1.26 -2.93 114.94 111.05 1of6 s ASN 323 Ca 0.00 -1.40 0.01 0.00 -0.94 0.00 0.00 52.86 50.53 1of6 s ASN 323 Cb 0.00 0.33 -0.02 0.00 -2.00 0.00 0.00 41.25 39.56 1of6 s ASN 323 CO 0.00 -0.82 -0.04 0.00 -2.94 0.00 0.00 177.10 173.30 1of6 s GLN 324 N -4.11 0.36 0.83 3.55 -2.07 0.67 -4.90 119.66 113.99 1of6 s GLN 324 Ca 0.39 -0.57 -0.11 0.00 -1.82 0.00 0.00 55.36 53.25 1of6 s GLN 324 Cb 0.07 -0.08 0.09 0.00 -1.09 0.00 0.00 33.01 32.00 1of6 s GLN 324 CO 0.13 0.00 1.09 0.20 -1.32 0.00 0.00 175.29 175.39 1of6 s GLY 325 N -1.26 1.65 -0.15 2.60 0.00 -1.26 -4.24 107.32 104.65 1of6 s GLY 325 Ca -0.11 0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 1of6 s GLY 325 CO -0.00 0.49 0.26 -0.42 0.00 0.00 0.00 173.10 173.43 1of6 s ILE 326 N -2.94 5.32 -0.12 0.90 1.09 -1.26 -5.03 121.20 119.15 1of6 s ILE 326 Ca 0.62 0.49 -0.06 0.00 -1.10 0.00 0.00 60.65 60.60 1of6 s ILE 326 Cb -0.17 -3.59 -0.05 0.00 -1.06 0.00 0.00 42.46 37.58 1of6 s ILE 326 CO 0.56 0.43 -0.16 -0.81 -0.10 0.00 0.00 174.94 174.86 1of6 n PRO 327 N 3.31 0.26 0.00 2.79 -0.04 -1.26 -5.21 135.00 134.86 1of6 n PRO 327 Ca -0.13 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1of6 n PRO 327 Cb 0.52 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1of6 n PRO 327 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1of6 n LYS 335 N -3.52 0.00 -1.32 0.54 4.81 -1.26 -5.20 118.16 112.21 1of6 n LYS 335 Ca -0.24 0.00 -0.52 0.00 -0.87 0.00 0.00 58.31 56.68 1of6 n LYS 335 Cb 0.67 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.65 1of6 n LYS 335 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1of6 n TYR 336 N 0.00 1.04 -0.72 5.64 4.19 -1.26 -3.18 117.16 122.87 1of6 n TYR 336 Ca 0.00 0.89 0.00 0.00 3.31 0.00 0.00 57.90 62.10 1of6 n TYR 336 Cb 0.00 -1.74 0.00 0.00 0.49 0.00 0.00 39.34 38.09 1of6 n TYR 336 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1of6 n GLY 337 N 2.37 0.58 3.22 2.98 0.00 -1.26 -4.80 105.19 108.28 1of6 n GLY 337 Ca 0.21 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1of6 n GLY 337 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1of6 s VAL 338 N -2.00 1.92 0.09 1.61 1.01 -1.19 -1.72 120.40 120.12 1of6 s VAL 338 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.70 1of6 s VAL 338 Cb 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1of6 s VAL 338 CO 0.00 0.53 1.70 -0.55 0.00 0.00 0.00 175.10 176.78 1of6 s SER 339 N 0.11 6.55 -0.00 3.32 0.15 -1.24 -4.73 113.70 117.86 1of6 s SER 339 Ca -0.10 2.57 0.05 0.00 0.70 0.00 0.00 55.95 59.17 1of6 s SER 339 Cb -0.15 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 61.74 1of6 s SER 339 CO 0.06 -0.92 1.10 2.30 1.20 0.00 0.00 173.24 176.97 1of6 n ILE 340 N 4.69 0.25 0.00 6.45 -5.35 -1.26 -0.24 119.36 123.91 1of6 n ILE 340 Ca 0.16 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1of6 n ILE 340 Cb 0.40 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1of6 n ILE 340 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1of6 n THR 341 N -0.00 0.00 -2.38 7.28 -2.24 -1.26 -4.85 114.28 110.82 1of6 n THR 341 Ca 0.06 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 1of6 n THR 341 Cb 0.16 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 1of6 n THR 341 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1of6 s ASP 342 N 1.00 6.00 0.04 3.42 1.01 -1.26 -4.75 116.67 122.14 1of6 s ASP 342 Ca 0.00 2.06 -0.31 0.00 0.71 0.00 0.00 52.55 55.01 1of6 s ASP 342 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1of6 s ASP 342 CO 0.00 -1.02 1.32 0.00 0.21 0.00 0.00 175.17 175.68 1of6 s ALA 343 N -1.88 3.52 0.09 5.23 0.00 -1.26 -4.64 121.76 122.83 1of6 s ALA 343 Ca 0.70 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.62 1of6 s ALA 343 Cb -0.20 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1of6 s ALA 343 CO 0.24 -0.68 -0.00 0.00 0.00 0.00 0.00 175.76 175.31 1of6 s ILE 345 N -1.31 2.58 0.70 0.00 -4.36 -0.50 -0.72 121.20 117.58 1of6 s ILE 345 Ca 0.26 0.19 -0.02 0.00 -0.26 0.00 0.00 60.65 60.82 1of6 s ILE 345 Cb -0.12 -2.45 0.11 0.00 1.25 0.00 0.00 42.46 41.25 1of6 s ILE 345 CO 0.18 -0.25 0.97 -0.83 0.24 0.00 0.00 174.94 175.25 1of6 s GLY 346 N -3.02 1.77 0.12 6.27 0.00 -1.26 -1.71 107.32 109.49 1of6 s GLY 346 Ca 0.64 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.65 1of6 s GLY 346 CO 0.58 -1.04 1.65 -0.25 0.00 0.00 0.00 173.10 174.04 1of6 h TRP 347 N -0.47 0.57 -0.69 1.90 2.91 0.67 -2.55 115.95 118.30 1of6 h TRP 347 Ca -0.39 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 59.54 1of6 h TRP 347 Cb 1.28 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.73 1of6 h TRP 347 CO -0.08 0.54 0.27 0.93 -1.03 0.00 0.00 178.44 179.08 1of6 h GLU 348 N 0.43 1.02 -0.21 2.65 5.08 -1.89 -1.55 114.58 120.13 1of6 h GLU 348 Ca 0.12 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1of6 h GLU 348 Cb 0.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1of6 h GLU 348 CO -0.01 0.85 0.07 1.15 -1.00 0.00 0.00 179.01 180.07 1of6 h THR 349 N 0.97 1.09 0.03 1.13 2.02 -1.89 -2.65 112.91 113.62 1of6 h THR 349 Ca 0.23 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1of6 h THR 349 Cb 0.21 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1of6 h THR 349 CO -0.02 0.11 -0.02 0.74 0.37 0.00 0.00 175.52 176.71 1of6 h THR 350 N 0.29 1.40 -0.91 3.16 2.02 -1.05 0.14 112.91 117.96 1of6 h THR 350 Ca 0.07 -1.63 0.23 0.00 0.77 0.00 0.00 66.41 65.86 1of6 h THR 350 Cb 0.08 2.45 -0.13 0.00 -1.74 0.00 0.00 68.15 68.81 1of6 h THR 350 CO -0.01 0.40 0.40 -0.08 0.37 0.00 0.00 175.52 176.60 1of6 h GLU 351 N -0.79 0.36 0.03 6.66 4.81 -1.27 0.53 114.58 124.91 1of6 h GLU 351 Ca -0.00 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.95 1of6 h GLU 351 Cb 0.69 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1of6 h GLU 351 CO 0.01 0.24 -1.27 -0.44 -0.73 0.00 0.00 179.01 176.82 1of6 h ASP 352 N 0.37 0.11 -0.80 1.04 3.32 -1.44 -2.69 116.42 116.33 1of6 h ASP 352 Ca 0.58 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1of6 h ASP 352 Cb 1.14 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1of6 h ASP 352 CO -0.56 1.12 0.48 0.58 -1.72 0.00 0.00 179.24 179.15 1of6 h VAL 353 N 0.02 1.23 -0.11 -1.35 2.07 0.10 -2.16 116.25 116.04 1of6 h VAL 353 Ca -0.12 -0.50 -0.20 0.00 0.82 0.00 0.00 66.70 66.70 1of6 h VAL 353 Cb 1.89 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1of6 h VAL 353 CO 0.13 0.24 -0.70 -0.07 0.02 0.00 0.00 177.57 177.20 1of6 h LEU 354 N 1.12 0.81 -1.02 2.57 3.38 -0.04 -1.26 115.31 120.87 1of6 h LEU 354 Ca 0.29 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1of6 h LEU 354 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1of6 h LEU 354 CO -0.05 1.33 0.02 0.03 0.09 0.00 0.00 178.44 179.86 1of6 h ARG 355 N 0.34 0.73 -0.43 1.13 3.08 -1.52 0.52 114.38 118.22 1of6 h ARG 355 Ca -0.06 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.84 1of6 h ARG 355 Cb 1.34 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1of6 h ARG 355 CO 0.14 0.73 0.25 -0.22 -1.07 0.00 0.00 179.97 179.80 1of6 h LYS 356 N 0.69 0.50 -0.20 0.04 3.64 -1.31 -0.76 116.57 119.17 1of6 h LYS 356 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1of6 h LYS 356 Cb 0.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1of6 h LYS 356 CO 0.01 0.33 0.09 1.25 -2.27 0.00 0.00 179.45 178.86 1of6 h LEU 357 N 0.51 0.26 -0.40 5.20 5.85 -0.45 -1.59 115.31 124.70 1of6 h LEU 357 Ca 0.17 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1of6 h LEU 357 Cb 0.02 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1of6 h LEU 357 CO -0.08 0.33 0.15 0.00 -0.34 0.00 0.00 178.44 178.50 1of6 h ALA 358 N 0.94 0.48 -0.81 1.25 0.00 0.08 -1.22 119.26 119.98 1of6 h ALA 358 Ca 0.07 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1of6 h ALA 358 Cb 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1of6 h ALA 358 CO -0.01 -0.24 0.44 0.00 0.00 0.00 0.00 179.25 179.45 1of6 h ALA 359 N 1.25 1.17 0.00 0.00 0.00 -0.90 0.84 119.26 121.62 1of6 h ALA 359 Ca 0.18 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1of6 h ALA 359 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1of6 h ALA 359 CO -0.18 0.01 -0.29 0.00 0.00 0.00 0.00 179.25 178.80 1of6 h ALA 360 N 1.48 1.34 0.08 0.00 0.00 -0.58 -1.62 119.26 119.96 1of6 h ALA 360 Ca 0.41 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1of6 h ALA 360 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1of6 h ALA 360 CO -0.29 0.36 -0.04 0.28 0.00 0.00 0.00 179.25 179.57 1of6 h VAL 361 N 0.00 1.16 -0.88 0.00 2.07 0.24 -2.08 116.25 116.77 1of6 h VAL 361 Ca -0.00 -0.99 0.21 0.00 0.82 0.00 0.00 66.70 66.74 1of6 h VAL 361 Cb 0.58 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 1of6 h VAL 361 CO 0.04 0.24 0.59 0.03 0.02 0.00 0.00 177.57 178.48 1of6 h ARG 362 N -0.57 0.32 0.01 1.57 3.08 -0.66 -2.67 114.38 115.46 1of6 h ARG 362 Ca -0.01 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.76 1of6 h ARG 362 Cb 0.47 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.47 1of6 h ARG 362 CO 0.02 0.21 -1.01 0.37 -1.07 0.00 0.00 179.97 178.49 1of6 h GLN 363 N 0.33 0.66 -0.30 0.04 5.75 -1.21 -3.13 115.11 117.25 1of6 h GLN 363 Ca 0.45 -0.73 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1of6 h GLN 363 Cb 1.23 0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.97 1of6 h GLN 363 CO -0.14 1.31 0.17 -0.09 -2.65 0.00 0.00 178.83 177.42 1of6 h ARG 364 N 0.32 0.40 0.10 1.69 2.43 -1.05 -3.11 114.38 115.16 1of6 h ARG 364 Ca -0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1of6 h ARG 364 Cb 1.67 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.11 1of6 h ARG 364 CO 0.20 0.29 -0.24 0.00 -1.51 0.00 0.00 179.97 178.71 1of6 h ARG 365 N 0.41 -0.42 -0.11 0.20 3.08 -1.43 -2.91 114.38 113.21 1of6 h ARG 365 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1of6 h ARG 365 Cb 0.01 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1of6 h ARG 365 CO -0.02 -0.28 0.00 0.39 -1.07 0.00 0.00 179.97 178.99 1of6 n GLU 366 N -5.36 1.27 0.09 0.04 4.71 -1.18 -2.27 120.64 117.94 1of6 n GLU 366 Ca -0.06 -0.41 0.08 0.00 -0.01 0.00 0.00 57.16 56.75 1of6 n GLU 366 Cb 0.27 -1.14 -0.02 0.00 -1.01 0.00 0.00 31.44 29.55 1of6 n GLU 366 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1of6 h VAL 367 N 0.70 0.16 -0.01 2.62 2.07 -1.52 -3.52 116.25 116.75 1of6 h VAL 367 Ca 0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1of6 h VAL 367 Cb 0.16 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1of6 h VAL 367 CO 0.00 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.27