#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of6 s GLU 20 N 0.00 2.12 0.14 0.00 2.12 -1.26 -5.05 118.70 116.77 1of6 s GLU 20 Ca 0.00 -1.90 0.04 0.00 0.36 0.00 0.00 54.97 53.47 1of6 s GLU 20 Cb 0.00 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1of6 s GLU 20 CO 0.00 -1.10 -0.08 -1.21 -0.54 0.00 0.00 175.26 172.33 1of6 s GLU 21 N 1.03 1.02 -1.73 4.30 2.02 -1.26 -4.86 118.70 119.21 1of6 s GLU 21 Ca 0.09 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.64 1of6 s GLU 21 Cb -0.23 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.49 1of6 s GLU 21 CO -0.04 0.04 0.00 -0.25 0.02 0.00 0.00 175.26 175.03 1of6 n ASP 22 N -0.17 -5.71 0.22 -0.19 9.92 -1.26 -4.87 116.55 114.48 1of6 n ASP 22 Ca -0.10 0.02 0.15 0.00 -0.53 0.00 0.00 54.79 54.33 1of6 n ASP 22 Cb 0.61 -4.77 0.61 0.00 -0.64 0.00 0.00 41.12 36.92 1of6 n ASP 22 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1of6 h VAL 23 N 0.00 0.00 -0.12 2.53 -1.51 -2.01 -2.89 116.25 112.26 1of6 h VAL 23 Ca -0.47 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1of6 h VAL 23 Cb 1.35 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1of6 h VAL 23 CO 0.56 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.44 1of6 n ARG 24 N -2.73 2.45 -3.68 5.19 1.74 -1.26 -4.94 116.66 113.43 1of6 n ARG 24 Ca 0.01 -2.18 -0.37 0.00 -0.77 0.00 0.00 57.85 54.54 1of6 n ARG 24 Cb 0.27 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.91 4.83 0.01 0.55 -1.09 -1.09 -4.98 121.20 117.51 1of6 s ILE 25 Ca 0.22 0.00 0.10 0.00 -2.23 0.00 0.00 60.65 58.75 1of6 s ILE 25 Cb 0.17 -3.28 -0.12 0.00 -1.58 0.00 0.00 42.46 37.66 1of6 s ILE 25 CO 0.06 0.30 1.28 -0.07 -1.23 0.00 0.00 174.94 175.28 1of6 h LEU 26 N 8.25 0.00 0.00 2.97 3.38 -1.92 -3.49 115.31 124.50 1of6 h LEU 26 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1of6 h LEU 26 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1of6 h LEU 26 CO 0.57 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1of6 n GLY 27 N 1.32 1.53 3.31 0.83 0.00 -1.26 -5.10 105.19 105.83 1of6 n GLY 27 Ca -0.01 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1of6 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1of6 s TYR 28 N -2.00 3.28 -0.00 1.61 1.51 -1.26 -5.10 117.35 115.38 1of6 s TYR 28 Ca 0.00 -1.27 -0.16 0.00 -1.01 0.00 0.00 57.07 54.64 1of6 s TYR 28 Cb 0.00 -2.56 -0.06 0.00 -0.11 0.00 0.00 41.96 39.23 1of6 s TYR 28 CO 0.00 -0.73 0.43 -0.51 -1.11 0.00 0.00 175.55 173.63 1of6 s ASP 29 N 1.69 6.83 0.34 2.29 1.01 -1.26 -5.04 116.67 122.53 1of6 s ASP 29 Ca 0.01 0.98 -0.28 0.00 0.71 0.00 0.00 52.55 53.98 1of6 s ASP 29 Cb -0.20 -2.27 -0.10 0.00 1.01 0.00 0.00 42.92 41.36 1of6 s ASP 29 CO 0.04 0.29 1.27 -2.16 0.21 0.00 0.00 175.17 174.82 1of6 s PRO 30 N -0.92 4.30 -0.12 8.23 0.04 -1.26 -5.01 135.00 140.26 1of6 s PRO 30 Ca 0.24 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1of6 s PRO 30 Cb -0.17 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1of6 s PRO 30 CO 0.14 -0.20 -0.23 -1.17 0.04 0.00 0.00 177.00 175.58 1of6 s LEU 31 N -1.91 2.09 0.30 -3.56 2.96 -1.26 -4.88 118.68 112.42 1of6 s LEU 31 Ca 0.50 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.54 1of6 s LEU 31 Cb -0.38 -1.42 -0.11 0.00 0.50 0.00 0.00 46.19 44.78 1of6 s LEU 31 CO 0.50 0.11 1.49 0.00 -1.32 0.00 0.00 176.35 177.13 1of6 s ALA 32 N 0.63 3.64 0.81 5.97 0.00 -1.26 -4.99 121.76 126.56 1of6 s ALA 32 Ca -0.12 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 1of6 s ALA 32 Cb -0.16 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.44 1of6 s ALA 32 CO 0.02 -0.88 1.10 -1.54 0.00 0.00 0.00 175.76 174.46 1of6 s SER 33 N 0.18 4.12 0.20 0.00 1.04 -1.26 -4.86 113.70 113.11 1of6 s SER 33 Ca 0.58 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.77 1of6 s SER 33 Cb -0.45 -2.50 0.21 0.00 0.10 0.00 0.00 66.02 63.38 1of6 s SER 33 CO 0.51 -2.29 1.79 -0.65 0.98 0.00 0.00 173.24 173.57 1of6 h PRO 34 N -1.31 0.55 -0.97 4.02 0.11 -1.81 -2.32 132.00 130.27 1of6 h PRO 34 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1of6 h PRO 34 Cb 1.24 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1of6 h PRO 34 CO 0.50 0.36 0.62 0.00 -0.21 0.00 0.00 178.00 179.27 1of6 h ALA 35 N 1.33 1.26 -0.62 -0.75 0.00 -1.24 0.20 119.26 119.44 1of6 h ALA 35 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1of6 h ALA 35 Cb 0.20 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1of6 h ALA 35 CO -0.20 0.66 0.34 1.25 0.00 0.00 0.00 179.25 181.31 1of6 h LEU 36 N 1.33 0.78 -0.42 0.00 5.85 -1.72 -2.16 115.31 118.97 1of6 h LEU 36 Ca 0.35 -0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.80 1of6 h LEU 36 Cb -0.11 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 1of6 h LEU 36 CO -0.07 0.65 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.98 1of6 h LEU 37 N 0.85 0.64 -1.82 2.25 -0.00 -0.84 -0.63 115.31 115.75 1of6 h LEU 37 Ca 0.22 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.88 57.72 1of6 h LEU 37 Cb 0.05 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1of6 h LEU 37 CO -0.03 1.12 0.05 1.56 -0.00 0.00 0.00 178.44 181.13 1of6 h GLN 38 N 0.41 0.16 0.01 1.13 4.20 -0.75 0.24 115.11 120.51 1of6 h GLN 38 Ca -0.01 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 1of6 h GLN 38 Cb 1.21 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.97 1of6 h GLN 38 CO 0.12 0.14 -0.62 0.28 -0.67 0.00 0.00 178.83 178.08 1of6 h VAL 39 N 0.16 1.43 -0.13 -0.54 2.07 -1.31 -3.31 116.25 114.62 1of6 h VAL 39 Ca 0.04 -2.10 -0.13 0.00 0.82 0.00 0.00 66.70 65.33 1of6 h VAL 39 Cb 0.04 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1of6 h VAL 39 CO -0.01 0.61 -0.47 1.56 0.02 0.00 0.00 177.57 179.28 1of6 h GLN 40 N -0.11 0.32 -2.95 1.57 4.20 -0.73 -3.32 115.11 114.09 1of6 h GLN 40 Ca -0.08 -0.18 -0.61 0.00 0.06 0.00 0.00 58.65 57.84 1of6 h GLN 40 Cb 1.33 0.01 -0.40 0.00 0.30 0.00 0.00 27.48 28.72 1of6 h GLN 40 CO 0.12 0.73 -0.71 0.42 -0.67 0.00 0.00 178.83 178.72 1of6 s ILE 41 N -4.04 1.89 0.47 2.54 1.01 0.81 -5.08 121.20 118.80 1of6 s ILE 41 Ca -0.05 -3.30 -0.20 0.00 0.00 0.00 0.00 60.65 57.11 1of6 s ILE 41 Cb 0.13 -2.28 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1of6 s ILE 41 CO 0.79 -0.99 1.00 -2.16 0.00 0.00 0.00 174.94 173.58 1of6 s PRO 42 N -0.44 3.96 0.20 2.79 0.04 -1.25 -4.56 135.00 135.75 1of6 s PRO 42 Ca 0.23 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1of6 s PRO 42 Cb -0.12 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1of6 s PRO 42 CO -0.10 -0.27 1.01 0.00 0.04 0.00 0.00 177.00 177.69 1of6 s ALA 43 N -2.18 3.33 0.51 8.56 0.00 -1.26 -5.03 121.76 125.70 1of6 s ALA 43 Ca 0.64 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 1of6 s ALA 43 Cb -0.12 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1of6 s ALA 43 CO 0.20 -0.02 0.97 0.95 0.00 0.00 0.00 175.76 177.85 1of6 s THR 44 N -0.62 4.56 0.34 0.00 -4.23 -1.26 -4.92 115.64 109.52 1of6 s THR 44 Ca 0.45 1.15 0.12 0.00 -1.18 0.00 0.00 61.69 62.23 1of6 s THR 44 Cb -0.27 -3.73 0.36 0.00 1.34 0.00 0.00 72.50 70.20 1of6 s THR 44 CO 0.34 -0.69 1.60 -0.65 -0.54 0.00 0.00 174.62 174.67 1of6 h PRO 45 N 0.90 0.08 -0.48 3.99 0.11 -1.99 -1.66 132.00 132.95 1of6 h PRO 45 Ca -0.47 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1of6 h PRO 45 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1of6 h PRO 45 CO 0.62 0.05 -0.22 1.15 -0.21 0.00 0.00 178.00 179.39 1of6 h THR 46 N 0.08 1.27 -0.24 -1.15 2.02 -1.92 -1.86 112.91 111.10 1of6 h THR 46 Ca 0.72 -1.39 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1of6 h THR 46 Cb 1.70 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.20 1of6 h THR 46 CO -0.78 0.48 0.01 0.28 0.37 0.00 0.00 175.52 175.88 1of6 h SER 47 N 0.86 -0.07 0.51 4.18 0.02 -1.50 -1.40 113.55 116.15 1of6 h SER 47 Ca 0.11 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1of6 h SER 47 Cb 0.80 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1of6 h SER 47 CO 0.07 -0.00 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.10 1of6 h LEU 48 N 0.09 0.09 0.08 5.07 3.38 -1.21 -0.81 115.31 122.01 1of6 h LEU 48 Ca 0.11 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 1of6 h LEU 48 Cb 0.14 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.89 1of6 h LEU 48 CO -0.18 0.65 -1.21 -0.08 0.09 0.00 0.00 178.44 177.71 1of6 h GLU 49 N 0.06 0.56 -0.33 1.13 4.57 -1.30 -2.74 114.58 116.53 1of6 h GLU 49 Ca -0.01 -0.75 -0.01 0.00 -1.18 0.00 0.00 59.36 57.42 1of6 h GLU 49 Cb 1.05 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 1of6 h GLU 49 CO 0.08 1.33 0.17 1.15 -1.18 0.00 0.00 179.01 180.56 1of6 h THR 50 N 0.25 1.15 0.15 0.32 2.02 -1.04 -1.55 112.91 114.22 1of6 h THR 50 Ca -0.17 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1of6 h THR 50 Cb 1.88 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1of6 h THR 50 CO 0.23 0.16 -0.20 0.00 0.37 0.00 0.00 175.52 176.07 1of6 h ALA 51 N 1.03 -0.37 -0.29 6.16 0.00 -1.19 -1.70 119.26 122.90 1of6 h ALA 51 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1of6 h ALA 51 Cb 0.10 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1of6 h ALA 51 CO -0.02 -0.74 0.05 0.87 0.00 0.00 0.00 179.25 179.41 1of6 h LYS 52 N -0.41 0.42 -0.38 0.00 1.57 -1.31 -2.46 116.57 114.00 1of6 h LYS 52 Ca 0.01 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1of6 h LYS 52 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1of6 h LYS 52 CO -0.08 0.41 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.78 1of6 h ARG 53 N 0.41 0.86 -0.87 3.15 2.43 -1.15 -2.43 114.38 116.80 1of6 h ARG 53 Ca 0.10 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1of6 h ARG 53 Cb 0.19 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1of6 h ARG 53 CO -0.00 1.06 0.55 0.78 -1.51 0.00 0.00 179.97 180.85 1of6 h GLY 54 N 0.88 1.23 0.87 2.80 0.00 -0.85 -2.17 103.07 105.83 1of6 h GLY 54 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1of6 h GLY 54 CO 0.08 0.47 -0.17 3.21 0.00 0.00 0.00 176.54 180.13 1of6 h ARG 55 N 1.18 -0.46 -0.90 4.80 3.08 -1.42 -1.17 114.38 119.49 1of6 h ARG 55 Ca 0.31 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.55 1of6 h ARG 55 Cb -0.10 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 29.96 1of6 h ARG 55 CO -0.06 -0.22 0.50 0.00 -1.07 0.00 0.00 179.97 179.12 1of6 h ARG 56 N -0.61 0.68 -0.00 0.04 3.08 -1.35 0.25 114.38 116.46 1of6 h ARG 56 Ca -0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1of6 h ARG 56 Cb 0.45 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1of6 h ARG 56 CO 0.08 0.45 -0.01 0.93 -1.07 0.00 0.00 179.97 180.35 1of6 h GLU 57 N 0.70 0.01 -0.51 0.04 5.08 -1.32 -1.00 114.58 117.58 1of6 h GLU 57 Ca 0.49 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.95 1of6 h GLU 57 Cb 0.69 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 1of6 h GLU 57 CO -0.35 0.69 -0.07 0.00 -1.00 0.00 0.00 179.01 178.28 1of6 h ALA 58 N 0.32 0.41 -0.12 3.43 0.00 -1.00 -1.34 119.26 120.94 1of6 h ALA 58 Ca -0.00 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1of6 h ALA 58 Cb 0.69 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1of6 h ALA 58 CO 0.00 -0.42 -0.03 0.82 0.00 0.00 0.00 179.25 179.62 1of6 h ILE 59 N 0.05 0.88 -0.09 0.00 2.04 -0.27 -1.67 117.51 118.45 1of6 h ILE 59 Ca 0.25 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1of6 h ILE 59 Cb 0.39 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1of6 h ILE 59 CO -0.49 0.00 -0.10 0.44 0.00 0.00 0.00 178.15 178.01 1of6 h ASP 60 N 0.01 0.12 0.02 1.72 3.32 -0.78 -2.41 116.42 118.41 1of6 h ASP 60 Ca 0.06 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 1of6 h ASP 60 Cb 0.09 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1of6 h ASP 60 CO -0.12 0.24 -0.88 0.40 -1.72 0.00 0.00 179.24 177.16 1of6 h ILE 61 N 0.12 1.35 0.00 0.35 2.04 -0.71 0.16 117.51 120.82 1of6 h ILE 61 Ca 0.03 -2.21 -0.10 0.00 1.00 0.00 0.00 64.86 63.58 1of6 h ILE 61 Cb 0.26 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1of6 h ILE 61 CO 0.01 0.67 -0.48 0.16 0.00 0.00 0.00 178.15 178.51 1of6 h ILE 62 N 0.16 0.86 -0.09 -0.67 3.07 -1.16 -2.92 117.51 116.76 1of6 h ILE 62 Ca -0.11 -2.09 0.00 0.00 1.55 0.00 0.00 64.86 64.20 1of6 h ILE 62 Cb 1.57 2.34 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 1of6 h ILE 62 CO 0.17 0.47 0.00 0.35 -1.05 0.00 0.00 178.15 178.09 1of6 n THR 63 N -3.27 0.10 -0.70 0.16 -2.24 -0.92 -0.52 114.28 106.88 1of6 n THR 63 Ca 0.02 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1of6 n THR 63 Cb 0.69 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.18 0.68 0.17 3.38 0.00 -1.10 -4.95 105.19 104.53 1of6 n GLY 64 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 2.15 0.00 -6.24 1.61 1.57 -0.98 -3.44 116.57 111.24 1of6 h LYS 65 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1of6 h LYS 65 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 1of6 h LYS 65 CO 0.00 0.09 -0.85 0.34 -0.57 0.00 0.00 179.45 178.46 1of6 s ASP 66 N -5.95 2.64 0.00 0.86 2.15 -0.63 -4.98 116.67 110.76 1of6 s ASP 66 Ca 0.04 -0.52 0.19 0.00 0.43 0.00 0.00 52.55 52.69 1of6 s ASP 66 Cb 0.07 -0.24 0.33 0.00 -0.30 0.00 0.00 42.92 42.78 1of6 s ASP 66 CO 0.73 0.20 1.26 -0.90 -0.17 0.00 0.00 175.17 176.29 1of6 n ASP 67 N 1.93 3.07 -4.76 -0.34 5.75 -1.26 -4.48 116.55 116.46 1of6 n ASP 67 Ca -0.17 -1.89 -0.31 0.00 -0.01 0.00 0.00 54.79 52.41 1of6 n ASP 67 Cb 0.53 -0.18 0.10 0.00 -1.03 0.00 0.00 41.12 40.53 1of6 n ASP 67 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1of6 s ARG 68 N -1.33 2.08 -0.14 0.11 0.52 -1.26 -4.96 118.95 113.97 1of6 s ARG 68 Ca 0.31 1.03 -0.07 0.00 -0.52 0.00 0.00 55.73 56.48 1of6 s ARG 68 Cb 0.18 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 1of6 s ARG 68 CO 0.26 -1.73 0.12 0.08 0.02 0.00 0.00 175.30 174.05 1of6 s VAL 69 N -2.94 5.32 -0.02 3.52 1.01 -0.75 -4.87 120.40 121.66 1of6 s VAL 69 Ca 0.61 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1of6 s VAL 69 Cb -0.17 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1of6 s VAL 69 CO 0.56 0.57 0.96 -0.22 0.00 0.00 0.00 175.10 176.97 1of6 s LEU 70 N -0.61 4.35 -0.13 3.92 2.96 -0.39 -0.55 118.68 128.22 1of6 s LEU 70 Ca 0.12 1.60 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1of6 s LEU 70 Cb -0.12 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1of6 s LEU 70 CO 0.02 -0.28 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.94 1of6 s VAL 71 N 1.16 1.53 -0.32 1.68 1.01 0.11 0.10 120.40 125.67 1of6 s VAL 71 Ca 0.50 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1of6 s VAL 71 Cb -0.20 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.79 1of6 s VAL 71 CO 0.26 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 175.25 1of6 s ILE 72 N 1.29 3.59 -0.03 2.22 -1.09 -0.06 -0.29 121.20 126.82 1of6 s ILE 72 Ca 0.00 -1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 57.26 1of6 s ILE 72 Cb -0.14 -3.00 0.01 0.00 -1.58 0.00 0.00 42.46 37.75 1of6 s ILE 72 CO -0.07 -0.11 0.10 0.54 -1.23 0.00 0.00 174.94 174.17 1of6 s VAL 73 N 1.38 0.01 -5.00 2.92 0.11 -0.27 -1.05 120.40 118.50 1of6 s VAL 73 Ca -0.02 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1of6 s VAL 73 Cb -0.19 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1of6 s VAL 73 CO 0.02 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1of6 n GLY 74 N 2.88 -0.38 3.66 6.54 0.00 -0.92 -1.33 105.19 115.64 1of6 n GLY 74 Ca -0.13 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1of6 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1of6 n PRO 75 N -0.14 -0.12 -0.08 1.61 -0.02 0.23 -1.26 135.00 135.21 1of6 n PRO 75 Ca 0.00 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 1of6 n PRO 75 Cb 0.00 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 1of6 n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1of6 s SER 77 N -5.44 -0.18 -0.36 0.00 1.04 -1.26 -4.59 113.70 102.92 1of6 s SER 77 Ca -0.13 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 1of6 s SER 77 Cb 0.10 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.84 1of6 s SER 77 CO 0.71 -1.01 0.11 -0.63 0.98 0.00 0.00 173.24 173.39 1of6 s ILE 78 N -3.90 3.21 -0.66 -1.02 -1.09 -0.54 -4.87 121.20 112.33 1of6 s ILE 78 Ca 0.11 -1.69 0.23 0.00 -2.23 0.00 0.00 60.65 57.07 1of6 s ILE 78 Cb 0.00 -3.02 -0.13 0.00 -1.58 0.00 0.00 42.46 37.73 1of6 s ILE 78 CO -0.02 -0.40 1.01 0.00 -1.23 0.00 0.00 174.94 174.30 1of6 n HIS 79 N 4.62 0.20 -3.60 3.97 1.44 -1.26 -4.65 115.22 115.94 1of6 n HIS 79 Ca -0.08 0.06 -0.28 0.00 -2.01 0.00 0.00 57.72 55.41 1of6 n HIS 79 Cb 0.43 -0.37 -0.16 0.00 0.12 0.00 0.00 29.99 30.01 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 -3.77 3.06 0.42 4.39 -1.08 -1.26 -4.95 116.67 113.47 1of6 s ASP 80 Ca 0.04 -1.01 0.12 0.00 -0.52 0.00 0.00 52.55 51.18 1of6 s ASP 80 Cb 0.15 -0.38 0.89 0.00 -1.46 0.00 0.00 42.92 42.12 1of6 s ASP 80 CO 0.81 -0.39 1.96 -0.07 0.52 0.00 0.00 175.17 178.00 1of6 h LEU 81 N 8.37 0.12 -0.01 -1.34 4.07 -1.98 -1.82 115.31 122.72 1of6 h LEU 81 Ca -0.17 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.72 1of6 h LEU 81 Cb 1.08 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1of6 h LEU 81 CO 0.37 0.28 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.52 1of6 h GLU 82 N 0.12 0.13 -0.88 1.13 3.07 -1.99 -2.01 114.58 114.15 1of6 h GLU 82 Ca 0.03 -0.13 0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1of6 h GLU 82 Cb 0.33 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 1of6 h GLU 82 CO 0.02 0.85 0.57 0.00 -1.40 0.00 0.00 179.01 179.05 1of6 h ALA 83 N 0.29 1.50 -0.39 3.43 0.00 -1.99 -1.93 119.26 120.16 1of6 h ALA 83 Ca -0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1of6 h ALA 83 Cb 0.90 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1of6 h ALA 83 CO 0.03 0.39 -0.18 0.00 0.00 0.00 0.00 179.25 179.49 1of6 h ALA 84 N 1.51 0.95 -0.64 0.00 0.00 -1.32 -1.04 119.26 118.73 1of6 h ALA 84 Ca 0.36 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1of6 h ALA 84 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1of6 h ALA 84 CO -0.12 0.61 0.10 0.37 0.00 0.00 0.00 179.25 180.21 1of6 h GLN 85 N 0.66 1.06 -0.25 0.00 5.75 -0.87 0.12 115.11 121.57 1of6 h GLN 85 Ca 0.10 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.24 1of6 h GLN 85 Cb 0.67 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1of6 h GLN 85 CO 0.05 0.98 -0.14 1.49 -2.65 0.00 0.00 178.83 178.56 1of6 h GLU 86 N 0.97 0.54 -0.57 1.69 4.81 -1.22 -1.96 114.58 118.85 1of6 h GLU 86 Ca 0.19 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1of6 h GLU 86 Cb 0.44 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 1of6 h GLU 86 CO 0.01 0.81 0.18 -0.92 -0.73 0.00 0.00 179.01 178.37 1of6 h TYR 87 N 0.27 0.31 -0.76 0.92 5.03 -1.12 -2.82 116.97 118.81 1of6 h TYR 87 Ca 0.05 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 1of6 h TYR 87 Cb 0.66 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1of6 h TYR 87 CO 0.06 0.06 0.32 0.00 -1.32 0.00 0.00 178.16 177.29 1of6 h ALA 88 N 1.41 1.14 -0.69 1.82 0.00 -0.51 -1.31 119.26 121.13 1of6 h ALA 88 Ca 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1of6 h ALA 88 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1of6 h ALA 88 CO -0.31 0.63 0.21 -0.07 0.00 0.00 0.00 179.25 179.71 1of6 h LEU 89 N 1.09 0.99 -0.31 0.00 -0.00 -1.10 0.11 115.31 116.08 1of6 h LEU 89 Ca 0.26 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1of6 h LEU 89 Cb 0.17 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1of6 h LEU 89 CO -0.03 0.92 0.10 0.03 -0.00 0.00 0.00 178.44 179.47 1of6 h ARG 90 N 1.02 0.49 -0.77 1.13 3.08 -1.30 -2.27 114.38 115.75 1of6 h ARG 90 Ca 0.22 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1of6 h ARG 90 Cb 0.29 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1of6 h ARG 90 CO -0.01 0.53 0.47 1.25 -1.07 0.00 0.00 179.97 181.14 1of6 h LEU 91 N 0.35 0.92 -0.61 3.04 5.85 -0.87 -0.18 115.31 123.81 1of6 h LEU 91 Ca 0.10 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1of6 h LEU 91 Cb 0.24 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1of6 h LEU 91 CO -0.00 0.71 -0.01 0.50 -0.34 0.00 0.00 178.44 179.30 1of6 h LYS 92 N 1.05 1.08 -0.01 1.25 1.63 -0.66 0.01 116.57 120.92 1of6 h LYS 92 Ca 0.28 -0.35 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1of6 h LYS 92 Cb -0.05 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1of6 h LYS 92 CO -0.05 1.06 0.00 -0.22 -3.45 0.00 0.00 179.45 176.78 1of6 h LYS 93 N 0.98 0.02 -0.97 1.90 3.64 -0.76 -1.48 116.57 119.90 1of6 h LYS 93 Ca 0.17 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.73 1of6 h LYS 93 Cb 0.57 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1of6 h LYS 93 CO 0.03 0.32 0.61 1.25 -2.27 0.00 0.00 179.45 179.40 1of6 h LEU 94 N -0.28 0.67 -0.85 5.20 5.85 -1.02 -1.36 115.31 123.52 1of6 h LEU 94 Ca 0.00 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1of6 h LEU 94 Cb 0.31 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1of6 h LEU 94 CO 0.00 0.27 -0.36 -1.28 -0.34 0.00 0.00 178.44 176.73 1of6 h SER 95 N 0.67 0.44 -0.27 1.25 0.87 -0.63 -2.41 113.55 113.47 1of6 h SER 95 Ca 0.53 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1of6 h SER 95 Cb 0.94 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1of6 h SER 95 CO -0.29 0.76 0.01 0.44 -0.53 0.00 0.00 176.83 177.22 1of6 h ASP 96 N 0.36 0.47 -0.89 6.23 3.32 -0.19 -2.23 116.42 123.48 1of6 h ASP 96 Ca 0.04 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1of6 h ASP 96 Cb 0.80 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1of6 h ASP 96 CO 0.06 0.65 0.58 -0.08 -1.72 0.00 0.00 179.24 178.74 1of6 h GLU 97 N 0.27 1.11 -0.67 3.56 4.81 -1.46 -3.22 114.58 118.97 1of6 h GLU 97 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1of6 h GLU 97 Cb 0.41 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1of6 h GLU 97 CO 0.01 0.73 0.00 1.28 -0.73 0.00 0.00 179.01 180.31 1of6 n LEU 98 N -4.51 3.74 0.28 1.64 4.77 -0.91 -4.56 117.00 117.45 1of6 n LEU 98 Ca 0.11 -1.84 0.17 0.00 -0.03 0.00 0.00 56.01 54.42 1of6 n LEU 98 Cb 0.07 -0.44 0.69 0.00 -2.33 0.00 0.00 43.42 41.41 1of6 n LEU 98 CO 0.35 0.92 0.99 0.07 -1.33 0.00 0.00 177.39 178.39 1of6 h LYS 99 N 4.17 0.00 -0.40 3.23 2.10 -1.42 -1.53 116.57 122.73 1of6 h LYS 99 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 1of6 h LYS 99 Cb 0.95 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1of6 h LYS 99 CO 0.00 0.01 0.27 0.78 -2.00 0.00 0.00 179.45 178.51 1of6 h GLY 100 N 1.98 0.29 0.00 0.07 0.00 -1.85 -3.37 103.07 100.19 1of6 h GLY 100 Ca -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1of6 h GLY 100 CO 0.00 0.07 -1.49 1.22 0.00 0.00 0.00 176.54 176.34 1of6 n ASP 101 N -4.47 3.31 -4.14 0.19 8.00 -0.89 -4.82 116.55 113.73 1of6 n ASP 101 Ca 0.05 -0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 1of6 n ASP 101 Cb 0.30 0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 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 -4.96 1.90 -0.29 0.64 1.43 -0.63 -1.82 118.68 114.96 1of6 s LEU 102 Ca -0.07 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 1of6 s LEU 102 Cb 0.02 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1of6 s LEU 102 CO 0.25 0.14 0.16 -0.55 0.23 0.00 0.00 176.35 176.57 1of6 s SER 103 N 0.22 5.71 -0.13 2.29 0.15 0.28 -4.17 113.70 118.05 1of6 s SER 103 Ca -0.09 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1of6 s SER 103 Cb -0.14 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 1of6 s SER 103 CO 0.04 -0.12 -0.11 -0.63 1.20 0.00 0.00 173.24 173.63 1of6 s ILE 104 N 1.68 3.28 -0.07 6.45 1.01 -1.26 -0.71 121.20 131.58 1of6 s ILE 104 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1of6 s ILE 104 Cb -0.16 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1of6 s ILE 104 CO 0.08 0.52 -0.14 -0.63 0.00 0.00 0.00 174.94 174.77 1of6 s ILE 105 N 0.29 1.31 0.22 2.92 1.01 0.60 -4.45 121.20 123.11 1of6 s ILE 105 Ca -0.08 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 1of6 s ILE 105 Cb -0.15 -1.18 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 1of6 s ILE 105 CO 0.05 0.39 0.86 -0.32 0.00 0.00 0.00 174.94 175.93 1of6 s MET 106 N 0.58 4.69 -0.16 2.79 -2.45 -0.29 -1.11 119.30 123.34 1of6 s MET 106 Ca -0.15 1.31 -0.29 0.00 -1.25 0.00 0.00 55.69 55.31 1of6 s MET 106 Cb -0.16 -3.21 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 1of6 s MET 106 CO 0.05 0.51 1.41 1.03 1.05 0.00 0.00 175.02 179.07 1of6 s ARG 107 N -1.29 4.12 -0.59 4.11 0.52 -0.44 -0.91 118.95 124.47 1of6 s ARG 107 Ca 0.40 1.74 0.06 0.00 -0.52 0.00 0.00 55.73 57.41 1of6 s ARG 107 Cb -0.24 -3.87 0.27 0.00 0.52 0.00 0.00 34.95 31.63 1of6 s ARG 107 CO 0.28 -0.87 0.75 0.00 0.02 0.00 0.00 175.30 175.48 1of6 n ALA 108 N 7.12 3.89 -2.83 2.13 0.00 0.15 -4.17 120.51 126.80 1of6 n ALA 108 Ca 0.15 -4.54 -0.29 0.00 0.00 0.00 0.00 53.44 48.76 1of6 n ALA 108 Cb 0.45 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.48 3.49 -0.09 0.00 1.51 -1.26 -4.47 117.35 114.05 1of6 s TYR 109 Ca 0.41 0.31 0.09 0.00 -1.01 0.00 0.00 57.07 56.87 1of6 s TYR 109 Cb 0.18 -1.82 -0.12 0.00 -0.11 0.00 0.00 41.96 40.09 1of6 s TYR 109 CO -0.05 0.49 0.05 1.28 -1.11 0.00 0.00 175.55 176.21 1of6 n LEU 110 N -0.15 0.00 -4.09 -1.29 4.32 -1.26 -1.47 117.00 113.07 1of6 n LEU 110 Ca -0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.84 1of6 n LEU 110 Cb 0.52 0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 42.46 1of6 n LEU 110 CO 0.50 0.22 -0.18 -1.83 -1.22 0.00 0.00 177.39 174.88 1of6 s GLU 111 N -2.28 1.06 -0.09 3.23 -1.05 -1.26 -0.83 118.70 117.48 1of6 s GLU 111 Ca -0.05 -1.36 -0.00 0.00 -0.15 0.00 0.00 54.97 53.41 1of6 s GLU 111 Cb 0.03 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1of6 s GLU 111 CO 0.41 -0.34 -0.06 0.21 0.95 0.00 0.00 175.26 176.42 1of6 s LYS 112 N -4.03 2.98 -0.49 -4.83 2.20 -1.26 -4.85 119.74 109.45 1of6 s LYS 112 Ca 0.23 -0.54 -0.45 0.00 -0.36 0.00 0.00 55.97 54.85 1of6 s LYS 112 Cb 0.06 -2.67 -0.19 0.00 -1.51 0.00 0.00 37.83 33.51 1of6 s LYS 112 CO 0.03 0.56 1.74 -2.30 -0.36 0.00 0.00 175.35 175.02 1of6 n PRO 113 N 2.54 0.00 -0.51 4.03 -0.02 -1.26 -4.98 135.00 134.79 1of6 n PRO 113 Ca -0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 1of6 n PRO 113 Cb 0.53 -1.48 0.27 0.00 -0.02 0.00 0.00 33.50 32.80 1of6 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1of6 s ARG 114 N 3.87 -1.86 0.00 -0.52 1.81 -1.26 -5.09 118.95 115.91 1of6 s ARG 114 Ca 1.08 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 55.55 1of6 s ARG 114 Cb -1.48 -1.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.54 1of6 s ARG 114 CO 0.76 -4.25 0.00 0.28 -0.68 0.00 0.00 175.30 171.41 1of6 n VAL 117 N -5.23 0.00 -0.79 3.52 0.31 -1.26 -5.25 118.33 109.63 1of6 n VAL 117 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1of6 n VAL 117 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1of6 n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1of6 n GLY 118 N 0.00 5.56 3.68 2.92 0.00 -1.26 -5.14 105.19 110.96 1of6 n GLY 118 Ca 0.00 -1.06 -0.45 0.00 0.00 0.00 0.00 46.02 44.51 1of6 n GLY 118 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1of6 n TRP 119 N 0.00 2.32 1.34 1.61 -0.00 -1.26 -4.90 117.44 116.55 1of6 n TRP 119 Ca 0.00 0.32 0.12 0.00 -0.00 0.00 0.00 57.50 57.94 1of6 n TRP 119 Cb 0.00 -2.52 0.44 0.00 -0.00 0.00 0.00 31.31 29.23 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 2.75 1.71 0.00 5.87 5.02 -1.26 -4.82 118.16 127.42 1of6 n LYS 120 Ca 0.14 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 1of6 n LYS 120 Cb 0.31 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.15 1.35 0.13 0.72 0.00 -1.26 -4.41 105.19 102.87 1of6 n GLY 121 Ca 0.17 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.14 0.99 5.85 -1.23 0.16 115.31 121.23 1of6 h LEU 122 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 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 0.65 -0.07 0.40 -0.34 0.00 0.00 178.44 179.08 1of6 h ILE 123 N 0.00 1.01 0.08 4.05 2.04 -1.79 -3.12 117.51 119.78 1of6 h ILE 123 Ca -0.01 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1of6 h ILE 123 Cb 1.33 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1of6 h ILE 123 CO 0.08 0.22 -0.04 0.78 0.00 0.00 0.00 178.15 179.19 1of6 h ASN 124 N -0.69 -0.09 -2.06 1.72 2.35 -1.76 -3.30 115.58 111.75 1of6 h ASN 124 Ca -0.02 -0.34 -0.55 0.00 -0.55 0.00 0.00 56.30 54.84 1of6 h ASN 124 Cb 0.50 0.02 -0.40 0.00 0.05 0.00 0.00 38.32 38.50 1of6 h ASN 124 CO 0.03 0.30 -0.99 -0.67 -1.65 0.00 0.00 177.43 174.46 1of6 n ASP 125 N -4.96 1.40 0.31 5.81 2.03 0.57 -1.00 116.55 120.71 1of6 n ASP 125 Ca -0.08 -3.00 0.20 0.00 0.52 0.00 0.00 54.79 52.43 1of6 n ASP 125 Cb 0.22 -0.63 0.94 0.00 -0.72 0.00 0.00 41.12 40.93 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 3.73 0.00 -0.39 -0.67 0.13 -1.66 -2.33 132.00 130.81 1of6 h PRO 126 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1of6 h PRO 126 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1of6 h PRO 126 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1of6 n ASP 127 N -3.09 2.10 -4.24 1.44 8.00 -1.26 -4.95 116.55 114.54 1of6 n ASP 127 Ca -0.01 -1.99 -0.30 0.00 0.71 0.00 0.00 54.79 53.20 1of6 n ASP 127 Cb 0.20 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 1of6 n ASP 127 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1of6 n VAL 128 N 0.65 -1.43 -2.35 2.53 0.31 -0.88 -4.59 118.33 112.57 1of6 n VAL 128 Ca 0.13 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.99 1of6 n VAL 128 Cb 0.33 -1.34 0.02 0.00 -0.91 0.00 0.00 33.84 31.94 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 -2.91 0.82 -4.27 4.52 0.23 -1.26 -3.56 115.26 108.83 1of6 n ASN 129 Ca -0.33 -2.07 -0.37 0.00 -0.53 0.00 0.00 54.58 51.29 1of6 n ASN 129 Cb 0.70 -0.29 -0.04 0.00 -2.08 0.00 0.00 39.78 38.07 1of6 n ASN 129 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1of6 n ASN 130 N 0.32 -2.65 -4.83 0.53 5.15 -1.26 -5.00 115.26 107.52 1of6 n ASN 130 Ca 0.05 -1.07 -0.28 0.00 -0.60 0.00 0.00 54.58 52.69 1of6 n ASN 130 Cb 1.03 -2.52 -0.04 0.00 -0.53 0.00 0.00 39.78 37.72 1of6 n ASN 130 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1of6 s THR 131 N -3.38 1.63 -0.01 -0.44 -4.23 -1.26 -5.14 115.64 102.81 1of6 s THR 131 Ca 0.68 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1of6 s THR 131 Cb -0.37 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1of6 s THR 131 CO 0.95 0.00 -0.20 -0.36 -0.54 0.00 0.00 174.62 174.47 1of6 s PHE 132 N -2.77 2.52 -0.43 3.99 0.40 -1.26 -4.14 117.98 116.29 1of6 s PHE 132 Ca 0.26 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1of6 s PHE 132 Cb 0.00 -1.53 0.21 0.00 0.51 0.00 0.00 43.02 42.21 1of6 s PHE 132 CO 0.16 0.12 0.93 -1.71 0.70 0.00 0.00 175.22 175.41 1of6 n ASN 133 N 2.17 -2.44 0.03 1.36 2.85 -0.17 -5.01 115.26 114.04 1of6 n ASN 133 Ca -0.17 -2.03 -0.07 0.00 -0.11 0.00 0.00 54.58 52.20 1of6 n ASN 133 Cb 0.52 1.26 0.09 0.00 1.24 0.00 0.00 39.78 42.89 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 3.61 1.33 -0.14 -1.44 5.03 -1.74 -0.49 117.51 123.68 1of6 h ILE 134 Ca 0.00 -1.79 -0.01 0.00 -0.12 0.00 0.00 64.86 62.94 1of6 h ILE 134 Cb 1.13 1.79 -0.01 0.00 -3.03 0.00 0.00 36.82 36.71 1of6 h ILE 134 CO -0.03 0.55 0.04 0.78 -0.68 0.00 0.00 178.15 178.80 1of6 h ASN 135 N 0.35 0.21 0.32 1.72 2.35 -1.90 0.39 115.58 119.02 1of6 h ASN 135 Ca 0.01 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.47 1of6 h ASN 135 Cb 1.05 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1of6 h ASN 135 CO 0.09 0.38 -0.32 0.50 -1.65 0.00 0.00 177.43 176.43 1of6 h LYS 136 N 0.03 0.00 -0.27 0.81 3.64 -1.83 -2.49 116.57 116.47 1of6 h LYS 136 Ca 0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1of6 h LYS 136 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1of6 h LYS 136 CO -0.00 0.32 0.10 0.78 -2.27 0.00 0.00 179.45 178.38 1of6 h GLY 137 N 0.96 0.43 1.42 5.01 0.00 -0.31 0.20 103.07 110.79 1of6 h GLY 137 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1of6 h GLY 137 CO 0.04 0.22 -0.30 1.41 0.00 0.00 0.00 176.54 177.92 1of6 h LEU 138 N 0.27 0.68 -0.01 3.11 3.38 -0.16 0.42 115.31 123.00 1of6 h LEU 138 Ca 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1of6 h LEU 138 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1of6 h LEU 138 CO -0.01 0.93 0.01 1.56 0.09 0.00 0.00 178.44 181.02 1of6 h GLN 139 N 0.56 0.01 -0.82 1.13 4.20 -1.12 -0.95 115.11 118.13 1of6 h GLN 139 Ca 0.07 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.84 1of6 h GLN 139 Cb 0.79 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.51 1of6 h GLN 139 CO 0.06 0.07 0.50 0.77 -0.67 0.00 0.00 178.83 179.57 1of6 h SER 140 N -0.05 0.78 -0.22 1.46 0.02 -0.29 0.38 113.55 115.62 1of6 h SER 140 Ca 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1of6 h SER 140 Cb 0.07 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1of6 h SER 140 CO -0.00 0.50 0.06 0.00 -1.14 0.00 0.00 176.83 176.24 1of6 h ALA 141 N 1.39 0.29 -0.70 3.77 0.00 -0.78 0.83 119.26 124.06 1of6 h ALA 141 Ca 0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1of6 h ALA 141 Cb 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1of6 h ALA 141 CO -0.18 -0.06 0.19 -0.09 0.00 0.00 0.00 179.25 179.11 1of6 h ARG 142 N 0.18 1.10 -0.09 0.00 2.43 -1.02 -0.37 114.38 116.61 1of6 h ARG 142 Ca 0.07 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1of6 h ARG 142 Cb 0.27 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1of6 h ARG 142 CO 0.00 0.95 0.00 0.37 -1.51 0.00 0.00 179.97 179.79 1of6 h GLN 143 N 1.05 0.15 -0.70 0.20 5.75 -0.76 -1.66 115.11 119.14 1of6 h GLN 143 Ca 0.22 -0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.80 1of6 h GLN 143 Cb 0.33 -0.02 -0.13 0.00 1.07 0.00 0.00 27.48 28.74 1of6 h GLN 143 CO -0.00 0.40 -0.31 1.25 -2.65 0.00 0.00 178.83 177.52 1of6 h LEU 144 N -0.11 -1.10 -0.40 -2.39 5.85 -0.71 0.28 115.31 116.73 1of6 h LEU 144 Ca 0.03 0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1of6 h LEU 144 Cb 0.33 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1of6 h LEU 144 CO 0.00 -0.29 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.44 1of6 h PHE 145 N -0.10 0.88 -0.18 1.25 -1.00 -0.78 -1.04 116.94 115.97 1of6 h PHE 145 Ca 0.28 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1of6 h PHE 145 Cb 0.56 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1of6 h PHE 145 CO -0.67 0.91 0.12 0.28 -1.61 0.00 0.00 178.31 177.34 1of6 h VAL 146 N 0.59 1.05 -0.62 -0.55 2.07 -1.10 -1.10 116.25 116.59 1of6 h VAL 146 Ca 0.10 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1of6 h VAL 146 Cb 0.64 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 1of6 h VAL 146 CO 0.04 0.05 0.18 0.78 0.02 0.00 0.00 177.57 178.64 1of6 h ASN 147 N 0.25 0.10 0.12 0.57 4.21 0.18 -1.39 115.58 119.62 1of6 h ASN 147 Ca 0.07 0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 1of6 h ASN 147 Cb -0.03 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1of6 h ASN 147 CO -0.01 0.05 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.06 1of6 h LEU 148 N 0.32 -0.13 -1.87 1.61 3.38 -1.15 -3.23 115.31 114.24 1of6 h LEU 148 Ca 0.32 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1of6 h LEU 148 Cb 0.46 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1of6 h LEU 148 CO -0.37 0.41 -0.13 0.71 0.09 0.00 0.00 178.44 179.15 1of6 h THR 149 N -0.74 0.82 0.00 0.22 1.35 -1.07 -2.96 112.91 110.54 1of6 h THR 149 Ca -0.02 -0.48 -0.05 0.00 -0.55 0.00 0.00 66.41 65.31 1of6 h THR 149 Cb 0.54 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1of6 h THR 149 CO 0.03 0.12 -0.26 -1.13 -0.25 0.00 0.00 175.52 174.04 1of6 h ASN 150 N 0.00 0.00 -0.04 5.36 -1.24 -1.26 -0.92 115.58 117.47 1of6 h ASN 150 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1of6 h ASN 150 Cb 0.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1of6 h ASN 150 CO 0.02 0.26 0.00 2.30 -1.29 0.00 0.00 177.43 178.71 1of6 n ILE 151 N -3.89 0.06 -0.69 2.57 -5.35 -1.12 -4.65 119.36 106.28 1of6 n ILE 151 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1of6 n ILE 151 Cb 0.34 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 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 0.79 0.70 3.41 3.28 0.00 -0.35 -5.06 105.19 107.96 1of6 n GLY 152 Ca 0.11 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 3.65 0.62 0.99 2.96 -1.22 -4.99 118.68 120.68 1of6 s LEU 153 Ca 0.00 -0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 53.33 1of6 s LEU 153 Cb 0.00 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1of6 s LEU 153 CO 0.00 -0.11 1.15 -2.84 -1.32 0.00 0.00 176.35 173.24 1of6 s PRO 154 N 1.58 2.93 0.17 0.98 0.02 -1.26 -3.76 135.00 135.66 1of6 s PRO 154 Ca 0.05 1.61 0.07 0.00 0.02 0.00 0.00 61.00 62.76 1of6 s PRO 154 Cb -0.16 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 1of6 s PRO 154 CO 0.03 -1.19 -0.15 0.96 -0.33 0.00 0.00 177.00 176.32 1of6 s ILE 155 N -1.94 1.66 0.06 2.83 -4.36 -1.26 -1.14 121.20 117.05 1of6 s ILE 155 Ca 0.72 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 59.14 1of6 s ILE 155 Cb -0.25 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.56 1of6 s ILE 155 CO 0.35 -0.47 -0.11 -0.83 0.24 0.00 0.00 174.94 174.13 1of6 s GLY 156 N -2.92 0.71 0.17 6.27 0.00 -0.09 -1.25 107.32 110.20 1of6 s GLY 156 Ca 0.17 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 43.79 1of6 s GLY 156 CO 0.06 -0.99 0.47 -0.45 0.00 0.00 0.00 173.10 172.19 1of6 s SER 157 N -1.82 -0.24 0.27 1.64 0.15 -0.69 0.34 113.70 113.35 1of6 s SER 157 Ca -0.04 -0.44 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 1of6 s SER 157 Cb -0.08 0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1of6 s SER 157 CO 0.01 -0.97 1.12 -0.70 1.20 0.00 0.00 173.24 173.90 1of6 s GLU 158 N -3.85 4.61 -0.60 5.44 2.12 -1.26 -1.63 118.70 123.52 1of6 s GLU 158 Ca 0.07 1.82 -0.20 0.00 0.36 0.00 0.00 54.97 57.03 1of6 s GLU 158 Cb 0.00 -3.20 0.09 0.00 0.26 0.00 0.00 34.13 31.29 1of6 s GLU 158 CO -0.06 0.16 0.75 -1.64 -0.54 0.00 0.00 175.26 173.93 1of6 s MET 159 N -1.27 3.06 0.03 4.30 -1.94 0.04 -4.84 119.30 118.68 1of6 s MET 159 Ca 0.46 -1.19 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1of6 s MET 159 Cb -0.32 -4.25 -0.25 0.00 2.01 0.00 0.00 34.83 32.02 1of6 s MET 159 CO 0.41 -1.58 0.97 -0.07 -0.01 0.00 0.00 175.02 174.73 1of6 h LEU 160 N 10.24 0.23 -8.00 -0.03 3.38 -1.95 -3.45 115.31 115.73 1of6 h LEU 160 Ca -0.29 -0.31 0.22 0.00 0.09 0.00 0.00 57.88 57.59 1of6 h LEU 160 Cb 1.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1of6 h LEU 160 CO 1.11 1.25 0.69 1.51 0.09 0.00 0.00 178.44 183.09 1of6 s ASP 161 N -6.79 0.02 0.00 -0.43 1.47 -1.26 -5.04 116.67 104.64 1of6 s ASP 161 Ca -0.05 -0.55 0.30 0.00 1.18 0.00 0.00 52.55 53.42 1of6 s ASP 161 Cb 0.08 0.39 1.38 0.00 -0.34 0.00 0.00 42.92 44.43 1of6 s ASP 161 CO 0.84 -0.79 1.97 0.35 0.68 0.00 0.00 175.17 178.22 1of6 n THR 162 N -0.79 0.00 -0.10 2.11 -2.24 -1.26 -4.32 114.28 107.68 1of6 n THR 162 Ca -0.00 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 1of6 n THR 162 Cb 0.59 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.26 1.39 -0.10 2.28 5.41 -1.26 -4.44 119.36 121.39 1of6 n ILE 163 Ca 0.13 -0.10 0.11 0.00 1.00 0.00 0.00 62.75 63.89 1of6 n ILE 163 Cb 0.27 -2.02 0.48 0.00 -0.71 0.00 0.00 39.64 37.65 1of6 n ILE 163 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1of6 h SER 164 N -0.87 0.41 -0.08 4.38 4.64 -1.99 -1.57 113.55 118.47 1of6 h SER 164 Ca -0.33 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1of6 h SER 164 Cb 1.23 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1of6 h SER 164 CO -0.20 0.25 -0.03 -0.65 -0.87 0.00 0.00 176.83 175.33 1of6 h PRO 165 N 0.46 0.28 -0.03 4.77 0.11 -1.82 -1.94 132.00 133.83 1of6 h PRO 165 Ca 0.28 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.35 1of6 h PRO 165 Cb 0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1of6 h PRO 165 CO -0.08 0.33 0.20 1.96 -0.21 0.00 0.00 178.00 180.20 1of6 h GLN 166 N 0.27 0.00 0.00 1.05 1.08 -1.53 0.26 115.11 116.23 1of6 h GLN 166 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1of6 h GLN 166 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1of6 h GLN 166 CO 0.01 0.00 -0.35 0.66 -0.95 0.00 0.00 178.83 178.20 1of6 n TYR 167 N -3.06 0.49 0.00 2.96 4.02 -0.73 -4.49 117.16 116.35 1of6 n TYR 167 Ca -0.02 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1of6 n TYR 167 Cb 0.27 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1of6 n TYR 167 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1of6 n LEU 168 N -1.96 0.00 0.24 7.72 4.77 -0.49 -4.86 117.00 122.43 1of6 n LEU 168 Ca 0.05 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1of6 n LEU 168 Cb 0.41 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.12 1of6 n LEU 168 CO 0.33 0.00 0.93 0.00 -1.33 0.00 0.00 177.39 177.32 1of6 h ALA 169 N 0.00 1.44 0.00 -1.18 0.00 -0.77 -2.06 119.26 116.69 1of6 h ALA 169 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1of6 h ALA 169 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1of6 h ALA 169 CO 0.00 0.20 -0.03 0.38 0.00 0.00 0.00 179.25 179.80 1of6 h ASP 170 N 0.00 0.00 -0.01 0.00 2.03 -1.91 -3.08 116.42 113.45 1of6 h ASP 170 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1of6 h ASP 170 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1of6 h ASP 170 CO 0.02 0.03 -0.55 0.18 -1.03 0.00 0.00 179.24 177.89 1of6 n LEU 171 N -3.24 1.65 -4.70 0.15 4.77 -0.77 -4.82 117.00 110.03 1of6 n LEU 171 Ca -0.02 -0.70 -0.35 0.00 -0.03 0.00 0.00 56.01 54.91 1of6 n LEU 171 Cb 0.17 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1of6 n LEU 171 CO 0.25 0.32 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.67 1of6 s VAL 172 N -2.41 4.65 -0.06 4.08 1.01 -1.17 -4.50 120.40 122.01 1of6 s VAL 172 Ca 0.14 -0.11 0.17 0.00 0.00 0.00 0.00 61.98 62.18 1of6 s VAL 172 Cb 0.16 -3.01 -0.25 0.00 0.00 0.00 0.00 36.38 33.28 1of6 s VAL 172 CO 0.58 0.57 0.29 -1.20 0.00 0.00 0.00 175.10 175.35 1of6 n SER 173 N 2.50 1.01 -3.79 3.32 7.64 -0.38 -4.89 113.62 119.03 1of6 n SER 173 Ca -0.18 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.57 1of6 n SER 173 Cb 0.54 1.55 -0.13 0.00 -1.01 0.00 0.00 64.21 65.15 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 -2.99 -0.17 -0.03 1.43 5.36 -1.18 -4.23 117.98 116.18 1of6 s PHE 174 Ca -0.07 0.45 0.07 0.00 -0.96 0.00 0.00 56.93 56.42 1of6 s PHE 174 Cb 0.09 -0.00 -0.02 0.00 -0.34 0.00 0.00 43.02 42.76 1of6 s PHE 174 CO 0.71 -0.12 -0.24 0.20 -1.46 0.00 0.00 175.22 174.31 1of6 s GLY 175 N 0.61 1.18 -0.03 13.12 0.00 -0.40 -1.70 107.32 120.10 1of6 s GLY 175 Ca -0.04 -1.01 0.06 0.00 0.00 0.00 0.00 44.72 43.73 1of6 s GLY 175 CO -0.03 -0.76 -0.19 0.00 0.00 0.00 0.00 173.10 172.12 1of6 s ALA 176 N -0.41 2.46 -0.24 3.20 0.00 -0.65 -0.79 121.76 125.34 1of6 s ALA 176 Ca 0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1of6 s ALA 176 Cb -0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 1of6 s ALA 176 CO 0.01 0.55 -0.02 0.42 0.00 0.00 0.00 175.76 176.72 1of6 s ILE 177 N -0.69 3.50 0.83 0.00 -1.09 -0.32 -0.78 121.20 122.65 1of6 s ILE 177 Ca 0.11 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 57.87 1of6 s ILE 177 Cb -0.10 -2.65 0.09 0.00 -1.58 0.00 0.00 42.46 38.22 1of6 s ILE 177 CO 0.00 0.34 1.09 -0.83 -1.23 0.00 0.00 174.94 174.31 1of6 s GLY 178 N 1.48 1.65 0.44 6.18 0.00 -1.26 -1.66 107.32 114.14 1of6 s GLY 178 Ca 0.05 0.09 0.26 0.00 0.00 0.00 0.00 44.72 45.12 1of6 s GLY 178 CO -0.02 0.51 1.72 0.00 0.00 0.00 0.00 173.10 175.31 1of6 h ALA 179 N -1.31 2.59 0.00 3.20 0.00 -1.79 -0.55 119.26 121.39 1of6 h ALA 179 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1of6 h ALA 179 Cb 1.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1of6 h ALA 179 CO 0.53 -1.06 -0.09 0.54 0.00 0.00 0.00 179.25 179.17 1of6 n ARG 180 N -4.55 0.18 0.00 0.00 1.74 -1.26 -3.65 116.66 109.12 1of6 n ARG 180 Ca 0.30 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1of6 n ARG 180 Cb 1.15 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 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 -1.99 0.16 -0.09 0.55 -2.24 -0.26 -4.77 114.28 105.65 1of6 n THR 181 Ca 0.06 -0.54 0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1of6 n THR 181 Cb 0.40 0.99 0.58 0.00 -2.10 0.00 0.00 70.33 70.20 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 0.12 0.78 0.00 4.28 2.02 -1.52 -1.01 112.91 117.59 1of6 h THR 182 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1of6 h THR 182 Cb 0.13 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1of6 h THR 182 CO 0.00 0.05 0.00 -0.33 0.37 0.00 0.00 175.52 175.61 1of6 h GLU 183 N 0.25 0.00 -6.15 6.66 5.08 -1.85 -3.43 114.58 115.14 1of6 h GLU 183 Ca 0.32 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.11 1of6 h GLU 183 Cb 0.89 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1of6 h GLU 183 CO -0.07 0.00 0.82 0.45 -1.00 0.00 0.00 179.01 179.21 1of6 s SER 184 N -4.62 7.04 0.23 1.42 0.15 -0.38 -4.93 113.70 112.60 1of6 s SER 184 Ca 0.10 1.58 -0.07 0.00 0.70 0.00 0.00 55.95 58.26 1of6 s SER 184 Cb 0.12 -2.54 0.39 0.00 -1.71 0.00 0.00 66.02 62.27 1of6 s SER 184 CO 0.59 -0.69 1.71 -0.61 1.20 0.00 0.00 173.24 175.45 1of6 h GLN 185 N 7.76 0.32 -0.54 5.44 5.75 -1.89 -0.80 115.11 131.16 1of6 h GLN 185 Ca -0.25 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.17 1of6 h GLN 185 Cb 1.10 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1of6 h GLN 185 CO 0.96 0.21 0.08 1.25 -2.65 0.00 0.00 178.83 178.68 1of6 h LEU 186 N 0.33 0.82 -0.29 -2.39 5.85 -1.95 -0.24 115.31 117.45 1of6 h LEU 186 Ca 0.37 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.72 1of6 h LEU 186 Cb 0.57 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1of6 h LEU 186 CO -0.42 0.84 -0.87 0.45 -0.34 0.00 0.00 178.44 178.10 1of6 h HIS 187 N 0.82 0.21 -0.39 1.25 3.86 -1.64 -0.57 115.15 118.69 1of6 h HIS 187 Ca 0.17 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1of6 h HIS 187 Cb 0.38 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1of6 h HIS 187 CO 0.02 0.94 0.05 0.00 0.86 0.00 0.00 177.93 179.80 1of6 h ARG 188 N 0.08 0.66 -0.77 2.45 3.08 -0.62 -1.57 114.38 117.69 1of6 h ARG 188 Ca -0.04 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1of6 h ARG 188 Cb 1.51 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.45 1of6 h ARG 188 CO 0.13 0.72 0.47 0.93 -1.07 0.00 0.00 179.97 181.15 1of6 h GLU 189 N 0.51 1.03 -0.31 0.04 5.08 -1.00 -2.74 114.58 117.19 1of6 h GLU 189 Ca 0.12 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1of6 h GLU 189 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1of6 h GLU 189 CO 0.01 0.72 0.09 1.25 -1.00 0.00 0.00 179.01 180.08 1of6 h LEU 190 N 1.05 0.45 -1.41 1.33 5.85 -1.00 -2.63 115.31 118.95 1of6 h LEU 190 Ca 0.28 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1of6 h LEU 190 Cb -0.05 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1of6 h LEU 190 CO -0.05 0.54 0.47 0.00 -0.34 0.00 0.00 178.44 179.06 1of6 h ALA 191 N 0.92 1.75 0.00 1.25 0.00 -1.06 -0.90 119.26 121.23 1of6 h ALA 191 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1of6 h ALA 191 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1of6 h ALA 191 CO -0.00 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.03 1of6 h SER 192 N 0.70 0.00 -0.21 0.00 4.64 -1.18 -2.92 113.55 114.59 1of6 h SER 192 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1of6 h SER 192 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1of6 h SER 192 CO -0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 1of6 n GLY 193 N -0.88 3.03 3.85 -0.77 0.00 -0.35 -1.62 105.19 108.45 1of6 n GLY 193 Ca -0.01 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.21 4.05 -0.08 0.99 1.43 -1.10 -4.97 118.68 117.79 1of6 s LEU 194 Ca 0.17 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1of6 s LEU 194 Cb 0.10 -4.06 0.22 0.00 0.03 0.00 0.00 46.19 42.48 1of6 s LEU 194 CO 0.09 -0.21 0.95 -1.20 0.23 0.00 0.00 176.35 176.21 1of6 n SER 195 N -0.41 2.54 -3.89 2.29 7.64 -1.26 -4.85 113.62 115.68 1of6 n SER 195 Ca 0.03 -2.30 -0.08 0.00 1.01 0.00 0.00 58.87 57.53 1of6 n SER 195 Cb 0.53 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.34 -0.01 0.43 1.43 -0.12 -1.26 -5.07 117.98 112.04 1of6 s PHE 196 Ca 0.15 -0.40 -0.25 0.00 -0.05 0.00 0.00 56.93 56.37 1of6 s PHE 196 Cb 0.12 0.52 -0.08 0.00 -0.63 0.00 0.00 43.02 42.94 1of6 s PHE 196 CO 0.04 -1.13 1.34 -2.14 -0.05 0.00 0.00 175.22 173.28 1of6 s PRO 197 N -3.95 3.81 -0.09 1.99 0.02 -1.26 -4.87 135.00 130.66 1of6 s PRO 197 Ca 0.14 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.41 1of6 s PRO 197 Cb -0.04 -2.67 0.01 0.00 0.02 0.00 0.00 34.50 31.82 1of6 s PRO 197 CO 0.07 -0.64 -0.15 0.08 -0.33 0.00 0.00 177.00 176.03 1of6 s VAL 198 N -1.26 1.39 -0.19 3.83 1.01 -1.05 -1.27 120.40 122.86 1of6 s VAL 198 Ca 0.59 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1of6 s VAL 198 Cb -0.40 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1of6 s VAL 198 CO 0.50 0.41 0.25 -0.83 0.00 0.00 0.00 175.10 175.44 1of6 s GLY 199 N 0.79 2.10 -0.24 4.51 0.00 0.03 -1.22 107.32 113.31 1of6 s GLY 199 Ca -0.11 -0.61 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 1of6 s GLY 199 CO 0.02 0.43 0.25 -1.36 0.00 0.00 0.00 173.10 172.45 1of6 s PHE 200 N 0.73 3.31 0.44 1.90 0.08 0.78 -1.17 117.98 124.05 1of6 s PHE 200 Ca 0.13 0.35 -0.22 0.00 0.12 0.00 0.00 56.93 57.31 1of6 s PHE 200 Cb -0.13 -2.39 -0.09 0.00 -0.57 0.00 0.00 43.02 39.84 1of6 s PHE 200 CO 0.03 -0.01 1.02 0.15 -0.10 0.00 0.00 175.22 176.32 1of6 s LYS 201 N 1.32 4.02 0.67 0.44 1.02 -0.66 -1.14 119.74 125.40 1of6 s LYS 201 Ca 0.12 1.37 -0.16 0.00 0.02 0.00 0.00 55.97 57.32 1of6 s LYS 201 Cb -0.14 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1of6 s LYS 201 CO 0.07 -0.24 1.18 0.54 -0.92 0.00 0.00 175.35 175.98 1of6 s ASN 202 N -1.86 4.75 0.87 2.83 4.22 -0.82 -4.50 114.94 120.43 1of6 s ASN 202 Ca 0.63 2.28 -0.13 0.00 -2.14 0.00 0.00 52.86 53.50 1of6 s ASN 202 Cb -0.17 -2.58 0.07 0.00 1.28 0.00 0.00 41.25 39.85 1of6 s ASN 202 CO 0.21 -1.88 0.87 0.61 -2.04 0.00 0.00 177.10 174.87 1of6 n GLY 203 N 0.21 -0.89 0.27 0.45 0.00 -0.30 -4.44 105.19 100.48 1of6 n GLY 203 Ca 0.13 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1of6 n GLY 203 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1of6 h THR 204 N -1.31 0.67 0.00 2.61 1.35 -1.88 -0.30 112.91 114.05 1of6 h THR 204 Ca -0.44 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1of6 h THR 204 Cb 1.29 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1of6 h THR 204 CO 0.41 0.08 0.00 -2.24 -0.25 0.00 0.00 175.52 173.51 1of6 h ASP 205 N 0.00 0.00 0.00 5.36 3.04 -1.90 -2.84 116.42 120.07 1of6 h ASP 205 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1of6 h ASP 205 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 1of6 h ASP 205 CO 0.01 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 1of6 n GLY 206 N -0.02 0.81 3.93 7.15 0.00 -0.12 -3.07 105.19 113.87 1of6 n GLY 206 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.01 5.25 -0.66 2.61 -4.23 -1.26 -4.81 115.64 110.53 1of6 s THR 207 Ca 0.00 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 1of6 s THR 207 Cb 0.00 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 1of6 s THR 207 CO 0.00 -0.09 0.50 0.00 -0.54 0.00 0.00 174.62 174.49 1of6 n LEU 208 N -0.42 0.82 -0.28 4.79 -0.00 -1.26 -1.15 117.00 119.50 1of6 n LEU 208 Ca -0.05 -0.64 0.09 0.00 -0.00 0.00 0.00 56.01 55.41 1of6 n LEU 208 Cb 0.53 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 44.20 1of6 n LEU 208 CO 0.49 0.18 1.00 0.78 -0.00 0.00 0.00 177.39 179.83 1of6 h ASN 209 N 0.56 0.19 -0.77 1.45 4.21 -1.98 0.61 115.58 119.86 1of6 h ASN 209 Ca 0.00 0.15 0.05 0.00 1.21 0.00 0.00 56.30 57.71 1of6 h ASN 209 Cb 0.27 0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.58 1of6 h ASN 209 CO 0.00 -0.01 0.50 -0.37 -1.29 0.00 0.00 177.43 176.27 1of6 h VAL 210 N 0.35 1.08 0.01 2.81 -1.51 -1.96 -0.04 116.25 116.99 1of6 h VAL 210 Ca 0.49 -0.30 -0.21 0.00 -1.23 0.00 0.00 66.70 65.45 1of6 h VAL 210 Cb 0.88 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1of6 h VAL 210 CO -0.52 0.16 -0.93 0.00 -1.23 0.00 0.00 177.57 175.05 1of6 h ALA 211 N 1.57 0.43 -0.04 5.19 0.00 -1.16 -1.92 119.26 123.31 1of6 h ALA 211 Ca 0.32 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1of6 h ALA 211 Cb 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1of6 h ALA 211 CO -0.10 0.89 0.01 0.28 0.00 0.00 0.00 179.25 180.33 1of6 h VAL 212 N 0.14 1.18 -0.51 0.00 2.07 -0.92 -2.18 116.25 116.03 1of6 h VAL 212 Ca -0.06 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1of6 h VAL 212 Cb 1.57 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1of6 h VAL 212 CO 0.15 0.15 0.34 0.44 0.02 0.00 0.00 177.57 178.67 1of6 h ASP 213 N -0.14 0.39 -0.33 0.57 3.32 -1.03 -1.92 116.42 117.27 1of6 h ASP 213 Ca 0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1of6 h ASP 213 Cb 0.23 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1of6 h ASP 213 CO -0.00 0.26 -0.16 0.00 -1.72 0.00 0.00 179.24 177.62 1of6 h ALA 214 N 1.72 0.47 -0.27 3.45 0.00 -1.14 -1.75 119.26 121.74 1of6 h ALA 214 Ca 0.22 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1of6 h ALA 214 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1of6 h ALA 214 CO -0.06 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.70 1of6 h GLN 216 N 0.28 -0.06 -0.21 0.00 1.08 -1.28 -2.58 115.11 112.34 1of6 h GLN 216 Ca 0.11 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1of6 h GLN 216 Cb 0.04 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1of6 h GLN 216 CO -0.08 -0.04 -0.08 0.00 -0.95 0.00 0.00 178.83 177.68 1of6 h ALA 217 N 0.92 0.11 0.00 3.87 0.00 -1.21 -2.65 119.26 120.30 1of6 h ALA 217 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1of6 h ALA 217 Cb 0.07 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1of6 h ALA 217 CO -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 179.25 178.72 1of6 h ALA 218 N 1.16 1.02 0.00 0.00 0.00 -0.68 -2.41 119.26 118.36 1of6 h ALA 218 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1of6 h ALA 218 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1of6 h ALA 218 CO -0.24 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1of6 n ALA 219 N -2.10 1.76 -2.59 0.00 0.00 -0.99 -1.14 120.51 115.46 1of6 n ALA 219 Ca -0.02 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1of6 n ALA 219 Cb 0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1of6 n ALA 219 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1of6 s HIS 220 N -3.21 3.04 0.24 0.00 3.76 -0.91 -3.80 115.29 114.42 1of6 s HIS 220 Ca 0.06 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.45 1of6 s HIS 220 Cb 0.10 -1.77 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 1of6 s HIS 220 CO 0.39 0.21 0.99 0.45 -0.85 0.00 0.00 174.74 175.93 1of6 s SER 221 N -4.02 7.52 0.36 1.40 0.15 -1.26 -3.56 113.70 114.28 1of6 s SER 221 Ca 0.40 2.03 0.04 0.00 0.70 0.00 0.00 55.95 59.13 1of6 s SER 221 Cb -0.07 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1of6 s SER 221 CO 0.28 0.04 0.17 -1.00 1.20 0.00 0.00 173.24 173.93 1of6 s HIS 222 N -1.03 1.72 -0.10 3.44 3.76 -1.25 -4.93 115.29 116.90 1of6 s HIS 222 Ca 0.43 -1.40 0.01 0.00 -0.15 0.00 0.00 55.06 53.96 1of6 s HIS 222 Cb -0.28 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.47 1of6 s HIS 222 CO 0.34 -0.50 -0.13 -1.01 -0.85 0.00 0.00 174.74 172.60 1of6 s HIS 223 N -3.39 1.71 0.10 1.40 3.76 -1.26 -0.86 115.29 116.76 1of6 s HIS 223 Ca 0.32 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1of6 s HIS 223 Cb 0.03 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 1of6 s HIS 223 CO 0.18 -0.43 -0.02 -0.59 -0.85 0.00 0.00 174.74 173.03 1of6 s PHE 224 N 1.07 0.80 -0.63 1.40 -0.12 -0.53 -4.95 117.98 115.02 1of6 s PHE 224 Ca -0.06 -1.04 -0.28 0.00 -0.05 0.00 0.00 56.93 55.50 1of6 s PHE 224 Cb -0.15 -0.49 0.03 0.00 -0.63 0.00 0.00 43.02 41.78 1of6 s PHE 224 CO -0.02 -0.31 1.25 -1.64 -0.05 0.00 0.00 175.22 174.46 1of6 s MET 225 N -3.91 3.37 0.00 1.99 -1.94 -1.26 -1.21 119.30 116.33 1of6 s MET 225 Ca 0.14 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1of6 s MET 225 Cb 0.07 -4.09 0.00 0.00 2.01 0.00 0.00 34.83 32.82 1of6 s MET 225 CO -0.04 -1.88 0.00 0.41 -0.01 0.00 0.00 175.02 173.50 1of6 n GLY 226 N 5.20 3.98 3.26 -0.03 0.00 -0.85 -4.91 105.19 111.84 1of6 n GLY 226 Ca 0.07 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 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 0.23 1.68 0.84 1.61 -7.23 -1.26 -2.12 120.40 114.14 1of6 s VAL 227 Ca 0.00 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 1of6 s VAL 227 Cb 0.00 -1.47 0.11 0.00 0.56 0.00 0.00 36.38 35.59 1of6 s VAL 227 CO 0.00 0.17 1.20 0.42 -0.31 0.00 0.00 175.10 176.57 1of6 s THR 228 N -0.85 2.04 0.43 5.32 -4.23 0.34 -4.89 115.64 113.80 1of6 s THR 228 Ca 0.07 -0.05 0.30 0.00 -1.18 0.00 0.00 61.69 60.83 1of6 s THR 228 Cb -0.09 -2.99 0.32 0.00 1.34 0.00 0.00 72.50 71.08 1of6 s THR 228 CO 0.02 0.00 2.11 0.11 -0.54 0.00 0.00 174.62 176.32 1of6 h LYS 229 N -1.16 0.00 -0.23 3.99 1.79 -1.96 -0.48 116.57 118.53 1of6 h LYS 229 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1of6 h LYS 229 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1of6 h LYS 229 CO 0.56 0.09 0.00 0.72 -1.08 0.00 0.00 179.45 179.74 1of6 n HIS 230 N -3.57 0.30 -0.47 -1.35 8.25 -1.26 -0.69 115.22 116.43 1of6 n HIS 230 Ca -0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1of6 n HIS 230 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.16 0.71 3.71 -1.41 0.00 -0.19 -4.83 105.19 104.33 1of6 n GLY 231 Ca 0.16 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 4.61 0.24 1.61 1.01 -1.26 -4.86 120.40 119.76 1of6 s VAL 232 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1of6 s VAL 232 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 1of6 s VAL 232 CO 0.00 0.58 1.33 0.00 0.00 0.00 0.00 175.10 177.01 1of6 s ALA 233 N -0.65 3.54 0.03 5.51 0.00 -1.26 -0.50 121.76 128.43 1of6 s ALA 233 Ca 0.11 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 1of6 s ALA 233 Cb -0.12 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.53 1of6 s ALA 233 CO 0.02 -0.59 0.31 0.00 0.00 0.00 0.00 175.76 175.51 1of6 s ALA 234 N -0.24 -0.73 -0.14 0.00 0.00 -0.90 -4.93 121.76 114.82 1of6 s ALA 234 Ca 0.55 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 1of6 s ALA 234 Cb -0.38 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1of6 s ALA 234 CO 0.43 -0.38 1.31 0.42 0.00 0.00 0.00 175.76 177.53 1of6 s ILE 235 N -2.27 4.18 -0.25 0.00 1.01 -1.26 -2.01 121.20 120.60 1of6 s ILE 235 Ca -0.07 1.43 -0.03 0.00 0.00 0.00 0.00 60.65 61.98 1of6 s ILE 235 Cb -0.02 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1of6 s ILE 235 CO -0.02 -0.11 -0.03 -0.89 0.00 0.00 0.00 174.94 173.89 1of6 s THR 236 N 3.41 3.23 -0.20 2.92 2.01 -0.35 -4.97 115.64 121.68 1of6 s THR 236 Ca 0.57 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.70 1of6 s THR 236 Cb -0.24 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1of6 s THR 236 CO 0.17 0.26 0.13 -0.89 -0.69 0.00 0.00 174.62 173.61 1of6 s THR 237 N 1.41 5.40 0.29 -0.82 2.01 -1.26 -1.45 115.64 121.21 1of6 s THR 237 Ca 0.03 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.30 1of6 s THR 237 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1of6 s THR 237 CO -0.03 0.44 0.10 0.42 -0.69 0.00 0.00 174.62 174.86 1of6 s THR 238 N 0.36 3.58 -0.12 -0.82 -4.23 -0.03 -4.98 115.64 109.40 1of6 s THR 238 Ca 0.08 -1.70 0.16 0.00 -1.18 0.00 0.00 61.69 59.05 1of6 s THR 238 Cb -0.11 -3.04 -0.11 0.00 1.34 0.00 0.00 72.50 70.59 1of6 s THR 238 CO -0.02 -0.30 0.94 0.50 -0.54 0.00 0.00 174.62 175.20 1of6 h LYS 239 N 1.66 0.00 0.00 3.99 3.64 -1.87 -3.32 116.57 120.67 1of6 h LYS 239 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 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 0.61 0.36 0.00 0.41 -2.27 0.00 0.00 179.45 178.56 1of6 n GLY 240 N 1.37 1.64 3.09 5.01 0.00 -0.64 -4.21 105.19 111.45 1of6 n GLY 240 Ca -0.07 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.26 3.27 0.00 1.61 3.84 -0.29 -4.87 114.94 118.23 1of6 s ASN 241 Ca 0.00 -0.75 0.26 0.00 0.21 0.00 0.00 52.86 52.58 1of6 s ASN 241 Cb 0.00 -1.44 0.90 0.00 -0.55 0.00 0.00 41.25 40.16 1of6 s ASN 241 CO 0.00 -0.04 1.65 -1.84 -2.79 0.00 0.00 177.10 174.08 1of6 n GLU 242 N 4.62 1.75 -1.71 0.43 0.00 -1.26 -3.85 120.64 120.61 1of6 n GLU 242 Ca -0.19 -1.10 -0.25 0.00 0.00 0.00 0.00 57.16 55.62 1of6 n GLU 242 Cb 0.49 -1.46 0.05 0.00 0.00 0.00 0.00 31.44 30.52 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 0.33 2.70 -3.83 -1.84 8.25 -1.26 -4.93 115.22 114.63 1of6 n HIS 243 Ca 0.18 -2.38 -0.32 0.00 -0.26 0.00 0.00 57.72 54.95 1of6 n HIS 243 Cb 0.37 -0.65 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.53 0.78 -0.05 0.00 -0.71 -0.35 -4.57 117.98 111.54 1of6 s PHE 245 Ca 0.36 -1.06 -0.08 0.00 -1.04 0.00 0.00 56.93 55.11 1of6 s PHE 245 Cb -0.13 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1of6 s PHE 245 CO 0.26 -0.93 0.23 0.08 -1.34 0.00 0.00 175.22 173.51 1of6 s VAL 246 N -3.80 5.36 -0.14 -2.49 1.01 -1.26 -0.16 120.40 118.93 1of6 s VAL 246 Ca 0.29 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.56 1of6 s VAL 246 Cb 0.02 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1of6 s VAL 246 CO 0.13 0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 174.91 1of6 s ILE 247 N -1.15 1.92 -0.22 2.22 1.01 -0.30 -1.44 121.20 123.25 1of6 s ILE 247 Ca 0.21 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1of6 s ILE 247 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1of6 s ILE 247 CO 0.11 0.52 0.60 -0.76 0.00 0.00 0.00 174.94 175.41 1of6 s LEU 248 N 0.98 4.12 -0.00 2.97 1.43 0.31 -1.95 118.68 126.54 1of6 s LEU 248 Ca -0.04 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1of6 s LEU 248 Cb -0.15 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1of6 s LEU 248 CO -0.04 -0.28 0.82 -2.11 0.23 0.00 0.00 176.35 174.96 1of6 n ARG 249 N 5.21 0.06 0.00 1.70 -4.01 -1.26 -0.69 116.66 117.66 1of6 n ARG 249 Ca -0.02 -0.85 0.00 0.00 -1.04 0.00 0.00 57.85 55.94 1of6 n ARG 249 Cb 0.50 -0.52 0.00 0.00 -3.04 0.00 0.00 32.46 29.39 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 -0.03 -1.41 0.00 2.89 0.00 -1.26 -2.02 105.19 103.35 1of6 n GLY 250 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 0.31 3.51 -0.02 0.00 -1.26 -4.20 105.19 103.53 1of6 n GLY 251 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1of6 n GLY 251 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1of6 n LYS 252 N 0.00 1.56 0.00 1.61 5.02 -1.07 -4.34 118.16 120.93 1of6 n LYS 252 Ca 0.00 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1of6 n LYS 252 Cb 0.00 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.41 1of6 n LYS 252 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1of6 n GLY 254 N 5.59 1.78 3.73 0.72 0.00 -1.26 -4.81 105.19 110.94 1of6 n GLY 254 Ca 0.46 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1of6 n GLY 254 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of6 s THR 255 N 2.41 2.59 -0.19 2.61 -4.23 -1.26 -4.58 115.64 112.99 1of6 s THR 255 Ca 0.00 0.27 0.22 0.00 -1.18 0.00 0.00 61.69 61.00 1of6 s THR 255 Cb 0.00 -2.76 0.46 0.00 1.34 0.00 0.00 72.50 71.54 1of6 s THR 255 CO 0.00 -0.18 1.17 -0.46 -0.54 0.00 0.00 174.62 174.61 1of6 n ASN 256 N -2.86 1.02 -0.06 3.99 0.23 -1.26 -4.84 115.26 111.48 1of6 n ASN 256 Ca 0.12 -2.03 0.07 0.00 -0.53 0.00 0.00 54.58 52.21 1of6 n ASN 256 Cb 0.51 -0.29 -0.07 0.00 -2.08 0.00 0.00 39.78 37.85 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 -0.41 0.00 -1.70 -2.53 0.18 -1.26 -4.35 117.16 107.09 1of6 n TYR 257 Ca 0.03 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.51 1of6 n TYR 257 Cb 0.89 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.91 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 -2.32 5.09 0.34 9.48 -4.77 -1.26 -4.69 116.67 118.54 1of6 s ASP 258 Ca 0.07 1.29 0.06 0.00 -3.30 0.00 0.00 52.55 50.67 1of6 s ASP 258 Cb 0.11 -2.09 0.61 0.00 -1.09 0.00 0.00 42.92 40.47 1of6 s ASP 258 CO 0.58 -1.59 1.83 0.00 0.70 0.00 0.00 175.17 176.69 1of6 h ALA 259 N -0.82 1.33 -0.07 2.11 0.00 -1.95 0.51 119.26 120.36 1of6 h ALA 259 Ca -0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1of6 h ALA 259 Cb 1.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1of6 h ALA 259 CO 0.61 0.45 -0.02 -0.22 0.00 0.00 0.00 179.25 180.08 1of6 h LYS 260 N 0.33 0.14 -0.37 0.00 3.64 -1.98 0.12 116.57 118.45 1of6 h LYS 260 Ca 0.06 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1of6 h LYS 260 Cb 0.49 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1of6 h LYS 260 CO 0.03 0.46 0.18 0.77 -2.27 0.00 0.00 179.45 178.63 1of6 h SER 261 N -0.19 0.27 -1.01 4.20 0.02 -1.60 -0.78 113.55 114.45 1of6 h SER 261 Ca 0.02 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1of6 h SER 261 Cb 0.41 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 1of6 h SER 261 CO 0.01 0.20 0.66 0.58 -1.14 0.00 0.00 176.83 177.13 1of6 h VAL 262 N 0.38 1.19 -0.61 2.27 2.07 -0.91 -1.17 116.25 119.45 1of6 h VAL 262 Ca 0.16 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1of6 h VAL 262 Cb 0.07 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.60 1of6 h VAL 262 CO -0.11 0.24 0.25 0.00 0.02 0.00 0.00 177.57 177.96 1of6 h ALA 263 N 1.41 0.80 -0.01 1.67 0.00 -0.43 -0.36 119.26 122.33 1of6 h ALA 263 Ca 0.40 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1of6 h ALA 263 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1of6 h ALA 263 CO -0.12 0.41 -0.47 0.93 0.00 0.00 0.00 179.25 180.00 1of6 h GLU 264 N 0.85 0.02 0.36 0.00 5.08 -0.73 -1.16 114.58 119.02 1of6 h GLU 264 Ca 0.21 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1of6 h GLU 264 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1of6 h GLU 264 CO -0.02 0.48 -0.18 0.00 -1.00 0.00 0.00 179.01 178.30 1of6 h ALA 265 N 1.51 -0.49 -1.01 3.43 0.00 -0.97 -2.70 119.26 119.03 1of6 h ALA 265 Ca -0.00 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 54.96 1of6 h ALA 265 Cb 0.83 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1of6 h ALA 265 CO 0.06 -0.57 0.63 0.87 0.00 0.00 0.00 179.25 180.23 1of6 h LYS 266 N -0.89 0.53 0.00 0.00 1.57 -0.99 -0.43 116.57 116.35 1of6 h LYS 266 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1of6 h LYS 266 Cb 0.54 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1of6 h LYS 266 CO 0.08 0.35 -0.04 0.00 -0.57 0.00 0.00 179.45 179.27 1of6 h ALA 267 N 1.67 1.19 0.00 3.86 0.00 -0.90 -2.49 119.26 122.60 1of6 h ALA 267 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1of6 h ALA 267 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1of6 h ALA 267 CO -0.38 0.05 -0.45 1.04 0.00 0.00 0.00 179.25 179.51 1of6 n GLN 268 N -3.41 0.01 -3.01 0.00 6.02 -0.18 -4.91 117.38 111.90 1of6 n GLN 268 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 1of6 n GLN 268 Cb 0.17 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.03 4.28 0.83 1.08 1.43 -0.94 -5.03 118.68 117.30 1of6 s LEU 269 Ca 0.11 1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 54.28 1of6 s LEU 269 Cb 0.18 -3.12 0.10 0.00 0.03 0.00 0.00 46.19 43.38 1of6 s LEU 269 CO 0.68 -0.19 1.11 -2.84 0.23 0.00 0.00 176.35 175.34 1of6 s PRO 270 N 1.17 1.72 0.42 1.29 0.02 -1.26 -4.92 135.00 133.44 1of6 s PRO 270 Ca 0.37 1.28 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 1of6 s PRO 270 Cb -0.17 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.41 1of6 s PRO 270 CO 0.17 -2.06 0.99 0.00 -0.33 0.00 0.00 177.00 175.77 1of6 n ALA 271 N -3.82 0.09 -0.92 -1.55 0.00 -1.26 -2.62 120.51 110.43 1of6 n ALA 271 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1of6 n ALA 271 Cb 0.53 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.22 0.44 3.84 0.00 0.00 -1.26 -5.04 105.19 104.37 1of6 n GLY 272 Ca 0.10 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.87 6.74 0.65 1.61 0.01 -1.08 -5.06 113.70 113.71 1of6 s SER 273 Ca 0.00 1.60 -0.12 0.00 1.31 0.00 0.00 55.95 58.73 1of6 s SER 273 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1of6 s SER 273 CO 0.00 -0.49 1.05 0.20 0.41 0.00 0.00 173.24 174.41 1of6 s ASN 274 N -2.73 5.64 0.89 2.44 0.01 -1.26 -4.96 114.94 114.97 1of6 s ASN 274 Ca 0.60 1.63 -0.11 0.00 -0.71 0.00 0.00 52.86 54.27 1of6 s ASN 274 Cb -0.10 -2.50 0.13 0.00 0.41 0.00 0.00 41.25 39.19 1of6 s ASN 274 CO 0.24 -1.26 1.12 -0.83 -1.51 0.00 0.00 177.10 174.85 1of6 s GLY 275 N -3.59 1.67 0.37 0.66 0.00 0.32 -4.83 107.32 101.91 1of6 s GLY 275 Ca 0.59 0.38 -0.15 0.00 0.00 0.00 0.00 44.72 45.54 1of6 s GLY 275 CO 0.50 0.81 0.79 1.08 0.00 0.00 0.00 173.10 176.27 1of6 s LEU 276 N -6.42 3.97 0.03 0.66 1.43 -0.34 -4.45 118.68 113.56 1of6 s LEU 276 Ca 0.65 1.33 0.09 0.00 -1.03 0.00 0.00 54.13 55.17 1of6 s LEU 276 Cb -0.21 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1of6 s LEU 276 CO 0.58 -0.29 -0.26 -0.32 0.23 0.00 0.00 176.35 176.29 1of6 s MET 277 N -3.24 1.91 -0.15 1.70 -2.45 -0.52 -1.61 119.30 114.94 1of6 s MET 277 Ca 0.55 -1.05 0.00 0.00 -1.25 0.00 0.00 55.69 53.94 1of6 s MET 277 Cb -0.10 -2.02 -0.00 0.00 1.25 0.00 0.00 34.83 33.96 1of6 s MET 277 CO 0.20 0.53 -0.14 0.42 1.05 0.00 0.00 175.02 177.08 1of6 s ILE 278 N -0.76 2.78 -0.19 10.11 1.01 -0.54 -0.53 121.20 133.08 1of6 s ILE 278 Ca 0.11 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 1of6 s ILE 278 Cb -0.10 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1of6 s ILE 278 CO 0.01 0.51 0.82 -0.62 0.00 0.00 0.00 174.94 175.67 1of6 s ASP 279 N 0.74 6.91 0.42 3.58 -1.08 0.13 -0.97 116.67 126.41 1of6 s ASP 279 Ca -0.06 1.12 0.23 0.00 -0.52 0.00 0.00 52.55 53.32 1of6 s ASP 279 Cb -0.15 -2.44 0.63 0.00 -1.46 0.00 0.00 42.92 39.50 1of6 s ASP 279 CO 0.01 -0.43 1.70 1.88 0.52 0.00 0.00 175.17 178.86 1of6 h TYR 280 N 7.44 0.00 -3.14 -5.34 -1.99 -1.18 -3.42 116.97 109.33 1of6 h TYR 280 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1of6 h TYR 280 Cb 1.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.85 1of6 h TYR 280 CO 0.73 0.18 0.00 0.45 -0.00 0.00 0.00 178.16 179.52 1of6 n SER 281 N -3.21 0.00 0.00 3.88 2.88 -1.26 -3.42 113.62 112.49 1of6 n SER 281 Ca 0.02 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1of6 n SER 281 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.66 0.00 0.17 0.66 8.25 -1.26 -1.72 115.22 120.65 1of6 n HIS 282 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1of6 n HIS 282 Cb 0.00 0.00 0.59 0.00 1.12 0.00 0.00 29.99 31.70 1of6 n HIS 282 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1of6 h GLY 283 N 0.00 0.16 2.00 -1.41 0.00 -1.73 -2.33 103.07 99.76 1of6 h GLY 283 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1of6 h GLY 283 CO 0.00 0.05 0.00 3.43 0.00 0.00 0.00 176.54 180.02 1of6 h ASN 284 N 0.15 0.00 -0.27 0.19 2.35 -0.81 -3.03 115.58 114.16 1of6 h ASN 284 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1of6 h ASN 284 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1of6 h ASN 284 CO -0.01 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.23 1of6 n SER 285 N -3.08 2.73 -0.42 5.81 3.41 -0.89 -4.89 113.62 116.29 1of6 n SER 285 Ca -0.00 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1of6 n SER 285 Cb 0.26 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1of6 n SER 285 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1of6 n ASN 286 N 0.71 0.00 -1.75 4.04 2.04 -1.15 -2.62 115.26 116.54 1of6 n ASN 286 Ca 0.11 0.00 -0.15 0.00 -0.44 0.00 0.00 54.58 54.10 1of6 n ASN 286 Cb 0.41 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.61 1of6 n ASN 286 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1of6 n LYS 287 N 0.54 -1.55 -3.34 -3.83 5.02 -1.26 -4.91 118.16 108.83 1of6 n LYS 287 Ca 0.00 0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 1of6 n LYS 287 Cb 0.00 -5.25 -0.08 0.00 -0.02 0.00 0.00 35.03 29.68 1of6 n LYS 287 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1of6 s ASP 288 N -2.23 0.42 0.61 4.39 2.15 -1.08 -5.02 116.67 115.92 1of6 s ASP 288 Ca 0.00 -0.04 0.30 0.00 0.43 0.00 0.00 52.55 53.24 1of6 s ASP 288 Cb 0.00 1.05 1.69 0.00 -0.30 0.00 0.00 42.92 45.36 1of6 s ASP 288 CO 0.00 -0.32 2.06 2.19 -0.17 0.00 0.00 175.17 178.92 1of6 h PHE 289 N 8.19 0.00 0.00 -5.34 -0.00 -1.84 -0.81 116.94 117.13 1of6 h PHE 289 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.79 1of6 h PHE 289 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.08 1of6 h PHE 289 CO 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 178.31 178.37 1of6 h ARG 290 N 0.00 0.00 0.00 6.09 3.08 -1.93 -2.03 114.38 119.60 1of6 h ARG 290 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1of6 h ARG 290 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1of6 h ARG 290 CO -0.00 0.12 0.00 0.09 -1.07 0.00 0.00 179.97 179.11 1of6 n ASN 291 N -3.64 0.00 -0.09 7.04 3.02 -0.31 -3.91 115.26 117.37 1of6 n ASN 291 Ca -0.02 0.49 -0.10 0.00 -0.03 0.00 0.00 54.58 54.92 1of6 n ASN 291 Cb 0.24 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.42 0.00 3.52 4.20 -1.55 -2.40 115.11 119.30 1of6 h GLN 292 Ca 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1of6 h GLN 292 Cb 0.20 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1of6 h GLN 292 CO 0.00 0.38 -0.06 -1.35 -0.67 0.00 0.00 178.83 177.13 1of6 h PRO 293 N 0.36 0.00 0.07 1.46 0.11 -1.81 -0.12 132.00 132.07 1of6 h PRO 293 Ca 0.10 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.96 1of6 h PRO 293 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1of6 h PRO 293 CO -0.01 0.06 -1.11 0.87 -0.21 0.00 0.00 178.00 177.60 1of6 h LYS 294 N 0.00 0.33 -0.02 1.05 1.57 -1.70 -1.83 116.57 115.97 1of6 h LYS 294 Ca -0.00 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1of6 h LYS 294 Cb 0.18 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1of6 h LYS 294 CO 0.01 1.16 0.01 0.28 -0.57 0.00 0.00 179.45 180.34 1of6 h VAL 295 N 0.14 1.04 -0.45 0.50 2.07 -1.05 -2.52 116.25 115.97 1of6 h VAL 295 Ca -0.11 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1of6 h VAL 295 Cb 1.79 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 32.56 1of6 h VAL 295 CO 0.18 0.03 -0.06 -1.13 0.02 0.00 0.00 177.57 176.61 1of6 h ASN 296 N -0.01 -0.32 -0.31 0.57 -1.24 -0.94 -0.51 115.58 112.81 1of6 h ASN 296 Ca 0.01 0.12 0.07 0.00 0.71 0.00 0.00 56.30 57.21 1of6 h ASN 296 Cb 0.04 0.24 -0.08 0.00 0.73 0.00 0.00 38.32 39.26 1of6 h ASN 296 CO -0.00 -0.11 -0.25 0.44 -1.29 0.00 0.00 177.43 176.21 1of6 h ASP 297 N 0.05 -0.82 -0.94 1.15 3.32 -1.03 0.23 116.42 118.37 1of6 h ASP 297 Ca 0.22 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1of6 h ASP 297 Cb 0.34 0.40 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1of6 h ASP 297 CO -0.43 -0.28 0.57 0.58 -1.72 0.00 0.00 179.24 177.96 1of6 h VAL 298 N -0.22 1.26 -0.06 -1.35 2.07 -1.21 -1.22 116.25 115.51 1of6 h VAL 298 Ca 0.16 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1of6 h VAL 298 Cb 0.47 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1of6 h VAL 298 CO -0.44 0.27 -0.33 0.58 0.02 0.00 0.00 177.57 177.67 1of6 h VAL 299 N 1.30 1.43 -0.80 2.57 2.07 -0.42 -3.10 116.25 119.30 1of6 h VAL 299 Ca 0.34 -1.75 0.17 0.00 0.82 0.00 0.00 66.70 66.27 1of6 h VAL 299 Cb -0.05 2.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 1of6 h VAL 299 CO -0.06 0.50 0.31 0.00 0.02 0.00 0.00 177.57 178.34 1of6 h GLU 301 N 0.41 1.18 -0.08 0.00 4.22 -1.16 0.42 114.58 119.57 1of6 h GLU 301 Ca 0.46 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.70 1of6 h GLU 301 Cb 0.77 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1of6 h GLU 301 CO -0.46 0.78 -0.44 1.96 -2.18 0.00 0.00 179.01 178.67 1of6 h GLN 302 N 1.22 0.43 0.05 1.92 4.20 -1.37 -2.04 115.11 119.52 1of6 h GLN 302 Ca 0.40 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1of6 h GLN 302 Cb 0.06 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1of6 h GLN 302 CO -0.14 1.00 -0.02 0.82 -0.67 0.00 0.00 178.83 179.82 1of6 h ILE 303 N -0.02 1.08 -0.70 2.54 2.04 -0.87 -1.35 117.51 120.23 1of6 h ILE 303 Ca -0.03 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.52 1of6 h ILE 303 Cb 1.10 1.37 -0.13 0.00 -0.74 0.00 0.00 36.82 38.42 1of6 h ILE 303 CO 0.09 0.11 -0.26 0.00 0.00 0.00 0.00 178.15 178.09 1of6 h ALA 304 N 0.67 0.25 0.00 1.87 0.00 -0.96 -2.11 119.26 118.99 1of6 h ALA 304 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1of6 h ALA 304 Cb 0.24 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1of6 h ALA 304 CO 0.01 -0.53 0.00 0.09 0.00 0.00 0.00 179.25 178.82 1of6 n ASN 305 N -5.47 0.00 0.00 0.00 3.02 -0.77 -3.85 115.26 108.19 1of6 n ASN 305 Ca 0.08 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1of6 n ASN 305 Cb 0.37 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.42 1.41 3.56 7.41 0.00 -0.79 -5.06 105.19 111.30 1of6 n GLY 306 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.21 3.12 0.05 1.61 2.56 -0.53 -4.83 118.70 120.48 1of6 s GLU 307 Ca 0.00 0.37 0.25 0.00 0.00 0.00 0.00 54.97 55.58 1of6 s GLU 307 Cb 0.00 -4.20 0.41 0.00 2.00 0.00 0.00 34.13 32.34 1of6 s GLU 307 CO 0.00 -2.17 1.34 0.09 -0.56 0.00 0.00 175.26 173.97 1of6 n ASN 308 N 10.29 0.58 0.18 -1.70 3.02 -1.26 -3.99 115.26 122.38 1of6 n ASN 308 Ca 0.12 -0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1of6 n ASN 308 Cb 0.50 0.26 0.23 0.00 -0.61 0.00 0.00 39.78 40.17 1of6 n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1of6 h ALA 309 N 2.76 0.99 -1.58 5.41 0.00 -1.96 -3.40 119.26 121.49 1of6 h ALA 309 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1of6 h ALA 309 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1of6 h ALA 309 CO 0.00 0.00 0.78 0.42 0.00 0.00 0.00 179.25 180.45 1of6 s ILE 310 N -3.18 4.09 -0.50 0.00 1.01 -1.26 -1.20 121.20 120.17 1of6 s ILE 310 Ca 0.08 0.19 0.11 0.00 0.00 0.00 0.00 60.65 61.03 1of6 s ILE 310 Cb 0.07 -4.74 -0.12 0.00 0.01 0.00 0.00 42.46 37.68 1of6 s ILE 310 CO 0.65 -1.51 0.46 0.35 0.00 0.00 0.00 174.94 174.89 1of6 n THR 311 N 6.23 0.00 -3.91 2.92 -2.24 -0.63 -4.96 114.28 111.69 1of6 n THR 311 Ca 0.01 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1of6 n THR 311 Cb 0.47 0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.07 0.16 0.05 3.38 0.00 -1.07 -1.27 107.32 106.51 1of6 s GLY 312 Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 1of6 s GLY 312 CO 0.45 -0.83 -0.00 -1.34 0.00 0.00 0.00 173.10 171.37 1of6 s VAL 313 N -3.51 0.20 -0.03 1.40 -7.23 0.12 -1.47 120.40 109.87 1of6 s VAL 313 Ca 0.02 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1of6 s VAL 313 Cb 0.04 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.63 1of6 s VAL 313 CO -0.09 -0.90 -0.15 -0.32 -0.31 0.00 0.00 175.10 173.33 1of6 s MET 314 N -3.59 1.47 -0.02 4.82 0.00 -0.14 -0.88 119.30 120.96 1of6 s MET 314 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 55.69 55.20 1of6 s MET 314 Cb 0.05 -1.33 0.02 0.00 0.00 0.00 0.00 34.83 33.58 1of6 s MET 314 CO -0.09 0.24 0.01 0.42 0.00 0.00 0.00 175.02 175.60 1of6 s ILE 315 N -0.04 0.11 -0.49 10.11 1.01 -0.22 -0.66 121.20 131.02 1of6 s ILE 315 Ca -0.01 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1of6 s ILE 315 Cb -0.09 -0.21 0.06 0.00 0.01 0.00 0.00 42.46 42.23 1of6 s ILE 315 CO 0.01 0.12 0.53 -1.61 0.00 0.00 0.00 174.94 173.99 1of6 s GLU 316 N 0.91 3.07 -0.03 2.79 2.02 -1.26 -2.17 118.70 124.03 1of6 s GLU 316 Ca -0.09 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 53.88 1of6 s GLU 316 Cb -0.12 -4.11 -0.00 0.00 0.10 0.00 0.00 34.13 30.00 1of6 s GLU 316 CO -0.02 -1.13 -0.14 0.45 0.02 0.00 0.00 175.26 174.44 1of6 s SER 317 N 2.61 1.77 0.43 -0.19 0.15 -0.39 -1.39 113.70 116.69 1of6 s SER 317 Ca 0.11 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.52 1of6 s SER 317 Cb -0.21 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1of6 s SER 317 CO 0.10 0.14 0.15 0.21 1.20 0.00 0.00 173.24 175.03 1of6 s ASN 318 N -0.03 2.98 0.10 5.45 3.84 -0.38 -0.60 114.94 126.30 1of6 s ASN 318 Ca -0.01 -1.75 -0.19 0.00 0.21 0.00 0.00 52.86 51.12 1of6 s ASN 318 Cb -0.09 0.63 -0.07 0.00 -0.55 0.00 0.00 41.25 41.17 1of6 s ASN 318 CO 0.01 -1.00 1.67 0.40 -2.79 0.00 0.00 177.10 175.38 1of6 h ILE 319 N 1.69 1.15 -3.63 -5.21 2.04 -1.85 -1.09 117.51 110.60 1of6 h ILE 319 Ca -0.34 -0.42 -0.52 0.00 1.00 0.00 0.00 64.86 64.58 1of6 h ILE 319 Cb 1.28 1.00 -0.20 0.00 -0.74 0.00 0.00 36.82 38.17 1of6 h ILE 319 CO 0.54 0.14 -0.80 0.20 0.00 0.00 0.00 178.15 178.24 1of6 s ASN 320 N -5.59 2.48 0.62 1.72 0.01 -0.56 -2.02 114.94 111.61 1of6 s ASN 320 Ca -0.13 -0.77 -0.07 0.00 -0.71 0.00 0.00 52.86 51.18 1of6 s ASN 320 Cb 0.08 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.62 1of6 s ASN 320 CO 0.71 -0.01 0.94 -1.83 -1.51 0.00 0.00 177.10 175.40 1of6 s GLU 321 N -2.35 2.82 1.05 -0.60 -1.05 -1.26 -4.46 118.70 112.84 1of6 s GLU 321 Ca 0.10 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 1of6 s GLU 321 Cb -0.08 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 1of6 s GLU 321 CO 0.05 -0.81 0.00 0.41 0.95 0.00 0.00 175.26 175.86 1of6 n GLY 322 N -2.68 -1.78 3.35 -3.83 0.00 -0.47 -4.84 105.19 94.93 1of6 n GLY 322 Ca 0.05 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 1.39 0.01 1.61 2.20 -1.26 -2.70 114.94 112.19 1of6 s ASN 323 Ca 0.00 -1.66 -0.16 0.00 -0.94 0.00 0.00 52.86 50.10 1of6 s ASN 323 Cb 0.00 0.59 0.03 0.00 -2.00 0.00 0.00 41.25 39.87 1of6 s ASN 323 CO 0.00 -1.14 0.34 0.00 -2.94 0.00 0.00 177.10 173.36 1of6 s GLN 324 N -3.31 0.76 0.73 3.55 -2.07 -0.50 -4.92 119.66 113.90 1of6 s GLN 324 Ca 0.37 -0.28 -0.12 0.00 -1.82 0.00 0.00 55.36 53.52 1of6 s GLN 324 Cb 0.01 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1of6 s GLN 324 CO 0.25 -0.23 1.11 0.20 -1.32 0.00 0.00 175.29 175.30 1of6 s GLY 325 N -1.61 1.62 -0.25 2.60 0.00 -1.26 -4.33 107.32 104.09 1of6 s GLY 325 Ca -0.10 -0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 1of6 s GLY 325 CO 0.02 0.02 0.59 -0.42 0.00 0.00 0.00 173.10 173.31 1of6 s ILE 326 N -3.37 5.02 0.78 0.90 1.01 -1.26 -4.98 121.20 119.31 1of6 s ILE 326 Ca 0.59 1.06 -0.06 0.00 0.00 0.00 0.00 60.65 62.24 1of6 s ILE 326 Cb -0.11 -3.90 0.13 0.00 0.01 0.00 0.00 42.46 38.58 1of6 s ILE 326 CO 0.52 0.06 1.09 -2.16 0.00 0.00 0.00 174.94 174.44 1of6 s PRO 327 N 2.33 1.52 0.13 2.79 0.04 -1.26 -4.98 135.00 135.57 1of6 s PRO 327 Ca 0.25 -0.70 -0.29 0.00 0.04 0.00 0.00 61.00 60.30 1of6 s PRO 327 Cb -0.16 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1of6 s PRO 327 CO 0.09 -1.66 1.59 0.00 0.04 0.00 0.00 177.00 177.06 1of6 h ALA 328 N -0.85 -0.59 -1.29 8.56 0.00 -2.02 -3.37 119.26 119.69 1of6 h ALA 328 Ca -0.41 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 53.81 1of6 h ALA 328 Cb 1.27 0.74 0.09 0.00 0.00 0.00 0.00 17.79 19.89 1of6 h ALA 328 CO 0.44 -0.92 -0.18 -0.85 0.00 0.00 0.00 179.25 177.75 1of6 n GLU 329 N -5.44 0.42 0.00 0.00 0.28 -1.26 -4.98 120.64 109.67 1of6 n GLU 329 Ca -0.05 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1of6 n GLU 329 Cb 0.36 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1of6 n GLU 329 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1of6 n GLY 330 N 1.79 -2.08 0.00 -1.84 0.00 -1.26 -4.56 105.19 97.25 1of6 n GLY 330 Ca 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1of6 n GLY 330 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1of6 n LYS 331 N 0.00 0.00 -3.81 1.61 4.81 -1.23 -4.53 118.16 115.00 1of6 n LYS 331 Ca 0.00 0.05 -0.29 0.00 -0.87 0.00 0.00 58.31 57.20 1of6 n LYS 331 Cb 0.00 -1.63 -0.13 0.00 0.02 0.00 0.00 35.03 33.29 1of6 n LYS 331 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1of6 s ALA 332 N -1.64 2.95 0.00 3.14 0.00 -1.26 -5.00 121.76 119.95 1of6 s ALA 332 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 48.79 1of6 s ALA 332 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1of6 s ALA 332 CO 0.00 -2.05 0.00 -0.11 0.00 0.00 0.00 175.76 173.60 1of6 n LEU 334 N 2.86 0.00 -4.74 0.00 7.94 -1.26 -5.04 117.00 116.76 1of6 n LEU 334 Ca 0.13 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.62 1of6 n LEU 334 Cb 0.35 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.27 1of6 n LEU 334 CO 0.27 0.00 1.01 -0.54 -1.11 0.00 0.00 177.39 177.01 1of6 s LYS 335 N -3.23 4.37 0.29 1.96 3.01 -1.26 -4.97 119.74 119.91 1of6 s LYS 335 Ca 0.00 2.11 -0.29 0.00 -1.01 0.00 0.00 55.97 56.78 1of6 s LYS 335 Cb 0.00 -3.17 -0.10 0.00 -1.01 0.00 0.00 37.83 33.55 1of6 s LYS 335 CO 0.00 -0.27 1.32 -0.47 0.51 0.00 0.00 175.35 176.44 1of6 s TYR 336 N -0.02 3.10 -1.28 3.18 5.04 -1.26 -3.65 117.35 122.46 1of6 s TYR 336 Ca 0.56 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 1of6 s TYR 336 Cb -0.38 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.25 1of6 s TYR 336 CO 0.40 -1.97 0.00 0.41 -1.34 0.00 0.00 175.55 173.06 1of6 n GLY 337 N 1.35 1.15 3.28 8.97 0.00 -1.26 -4.78 105.19 113.91 1of6 n GLY 337 Ca 0.02 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.48 2.18 0.33 1.61 1.01 -1.24 -1.50 120.40 120.31 1of6 s VAL 338 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 1of6 s VAL 338 Cb 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1of6 s VAL 338 CO 0.00 0.57 1.28 -0.55 0.00 0.00 0.00 175.10 176.40 1of6 s SER 339 N -0.14 6.81 0.00 3.32 0.15 -1.25 -4.81 113.70 117.78 1of6 s SER 339 Ca -0.04 2.64 0.22 0.00 0.70 0.00 0.00 55.95 59.46 1of6 s SER 339 Cb -0.14 -2.65 0.51 0.00 -1.71 0.00 0.00 66.02 62.03 1of6 s SER 339 CO 0.04 -0.51 1.44 2.30 1.20 0.00 0.00 173.24 177.71 1of6 n ILE 340 N 0.80 0.77 0.00 6.45 -5.35 -1.26 -1.41 119.36 119.35 1of6 n ILE 340 Ca 0.00 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 1of6 n ILE 340 Cb 0.42 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 1.47 0.00 -2.33 7.28 -2.24 -1.26 -4.76 114.28 112.44 1of6 n THR 341 Ca 0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 1of6 n THR 341 Cb 0.59 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.65 6.40 0.21 3.42 1.01 -1.26 -4.77 116.67 122.33 1of6 s ASP 342 Ca 0.00 2.25 -0.32 0.00 0.71 0.00 0.00 52.55 55.20 1of6 s ASP 342 Cb 0.00 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 1of6 s ASP 342 CO 0.00 -0.75 1.66 0.00 0.21 0.00 0.00 175.17 176.29 1of6 s ALA 343 N -1.54 3.87 0.11 5.23 0.00 -1.26 -4.69 121.76 123.49 1of6 s ALA 343 Ca 0.60 1.52 0.05 0.00 0.00 0.00 0.00 51.96 54.14 1of6 s ALA 343 Cb -0.28 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1of6 s ALA 343 CO 0.34 -0.89 0.04 0.00 0.00 0.00 0.00 175.76 175.25 1of6 s ILE 345 N -1.44 3.40 0.87 0.00 -4.36 -0.49 -1.37 121.20 117.82 1of6 s ILE 345 Ca 0.28 0.81 -0.12 0.00 -0.26 0.00 0.00 60.65 61.36 1of6 s ILE 345 Cb -0.11 -3.31 0.16 0.00 1.25 0.00 0.00 42.46 40.44 1of6 s ILE 345 CO 0.20 -0.25 1.21 -0.83 0.24 0.00 0.00 174.94 175.51 1of6 s GLY 346 N -2.06 1.75 0.23 6.27 0.00 -1.26 -1.25 107.32 110.99 1of6 s GLY 346 Ca 0.69 -1.21 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 1of6 s GLY 346 CO 0.29 -0.55 1.82 -0.25 0.00 0.00 0.00 173.10 174.41 1of6 h TRP 347 N -1.25 1.18 0.11 1.90 2.91 -0.57 -2.21 115.95 118.02 1of6 h TRP 347 Ca -0.43 -0.06 -0.29 0.00 1.13 0.00 0.00 58.89 59.23 1of6 h TRP 347 Cb 1.26 -0.36 0.03 0.00 -0.51 0.00 0.00 29.16 29.57 1of6 h TRP 347 CO -0.64 0.86 -1.22 0.93 -1.03 0.00 0.00 178.44 177.34 1of6 h GLU 348 N 1.16 0.59 -0.76 2.65 3.07 -1.88 -1.77 114.58 117.63 1of6 h GLU 348 Ca 0.28 -0.78 0.07 0.00 -0.50 0.00 0.00 59.36 58.43 1of6 h GLU 348 Cb 0.14 0.26 -0.06 0.00 -0.84 0.00 0.00 28.75 28.25 1of6 h GLU 348 CO -0.03 1.35 0.44 1.15 -1.40 0.00 0.00 179.01 180.52 1of6 h THR 349 N 0.26 0.95 -0.92 1.13 2.02 -1.93 -1.90 112.91 112.53 1of6 h THR 349 Ca -0.18 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.81 1of6 h THR 349 Cb 1.90 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.35 1of6 h THR 349 CO 0.23 0.14 0.58 0.74 0.37 0.00 0.00 175.52 177.58 1of6 h THR 350 N 0.78 1.04 -0.04 3.16 2.02 -1.11 0.01 112.91 118.77 1of6 h THR 350 Ca 0.35 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1of6 h THR 350 Cb 0.25 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1of6 h THR 350 CO -0.21 0.19 0.02 -0.33 0.37 0.00 0.00 175.52 175.56 1of6 h GLU 351 N 1.04 0.05 0.09 6.66 5.08 -0.55 -0.53 114.58 126.41 1of6 h GLU 351 Ca 0.41 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1of6 h GLU 351 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1of6 h GLU 351 CO -0.18 0.06 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.41 1of6 h ASP 352 N 0.02 -0.10 -0.83 1.42 3.32 -1.19 -1.28 116.42 117.78 1of6 h ASP 352 Ca 0.01 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.14 1of6 h ASP 352 Cb 0.03 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1of6 h ASP 352 CO -0.00 -0.07 0.49 0.58 -1.72 0.00 0.00 179.24 178.52 1of6 h VAL 353 N -0.12 0.97 0.10 -1.35 2.07 -0.94 -1.19 116.25 115.78 1of6 h VAL 353 Ca -0.01 -0.30 -0.28 0.00 0.82 0.00 0.00 66.70 66.93 1of6 h VAL 353 Cb 0.09 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1of6 h VAL 353 CO 0.02 0.16 -1.35 -0.07 0.02 0.00 0.00 177.57 176.35 1of6 h LEU 354 N 0.86 0.33 -0.15 2.57 3.38 -0.85 -2.55 115.31 118.90 1of6 h LEU 354 Ca 0.38 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1of6 h LEU 354 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1of6 h LEU 354 CO -0.21 1.32 0.07 0.03 0.09 0.00 0.00 178.44 179.74 1of6 h ARG 355 N 0.06 0.15 -0.02 1.13 3.08 -1.07 -1.40 114.38 116.31 1of6 h ARG 355 Ca -0.17 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1of6 h ARG 355 Cb 1.96 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 1of6 h ARG 355 CO 0.17 0.10 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.91 1of6 h LYS 356 N 0.16 0.03 0.01 0.04 3.64 -1.20 -2.04 116.57 117.21 1of6 h LYS 356 Ca 0.06 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 1of6 h LYS 356 Cb 0.01 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1of6 h LYS 356 CO -0.04 0.08 -1.00 1.25 -2.27 0.00 0.00 179.45 177.47 1of6 h LEU 357 N 0.03 0.65 -0.97 5.20 5.85 -1.23 -2.75 115.31 122.09 1of6 h LEU 357 Ca 0.01 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 1of6 h LEU 357 Cb 0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1of6 h LEU 357 CO 0.01 1.33 -0.02 0.00 -0.34 0.00 0.00 178.44 179.42 1of6 h ALA 358 N 0.62 1.15 -0.57 1.25 0.00 -0.61 -0.96 119.26 120.14 1of6 h ALA 358 Ca -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1of6 h ALA 358 Cb 1.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1of6 h ALA 358 CO 0.18 0.55 0.35 0.00 0.00 0.00 0.00 179.25 180.33 1of6 h ALA 359 N 1.30 0.73 -0.53 0.00 0.00 -1.34 -2.13 119.26 117.29 1of6 h ALA 359 Ca 0.13 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1of6 h ALA 359 Cb 0.45 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1of6 h ALA 359 CO 0.02 0.20 0.21 0.00 0.00 0.00 0.00 179.25 179.68 1of6 h ALA 360 N 1.18 0.67 -0.12 0.00 0.00 -1.30 0.18 119.26 119.87 1of6 h ALA 360 Ca 0.21 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1of6 h ALA 360 Cb -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1of6 h ALA 360 CO -0.04 -0.18 -0.10 0.28 0.00 0.00 0.00 179.25 179.22 1of6 h VAL 361 N 0.41 0.72 -0.13 0.00 2.07 -0.83 0.71 116.25 119.20 1of6 h VAL 361 Ca 0.25 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 1of6 h VAL 361 Cb 0.26 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1of6 h VAL 361 CO -0.24 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.46 1of6 h ARG 362 N -0.11 0.18 -0.94 1.57 3.08 -1.05 -2.21 114.38 114.90 1of6 h ARG 362 Ca 0.08 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.21 1of6 h ARG 362 Cb 0.22 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1of6 h ARG 362 CO -0.19 0.18 0.60 0.37 -1.07 0.00 0.00 179.97 179.87 1of6 h GLN 363 N 0.13 0.92 -0.57 0.04 5.75 -0.83 -2.12 115.11 118.43 1of6 h GLN 363 Ca 0.05 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 1of6 h GLN 363 Cb 0.05 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1of6 h GLN 363 CO -0.01 0.61 0.01 -0.09 -2.65 0.00 0.00 178.83 176.70 1of6 h ARG 364 N 0.95 1.00 -0.86 1.69 2.43 -0.51 -2.05 114.38 117.03 1of6 h ARG 364 Ca 0.44 -0.31 0.20 0.00 -0.81 0.00 0.00 59.98 59.50 1of6 h ARG 364 Cb 0.42 -0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 29.72 1of6 h ARG 364 CO -0.20 0.99 -0.05 -0.09 -1.51 0.00 0.00 179.97 179.11 1of6 h ARG 365 N 0.89 0.05 0.00 0.20 2.43 -0.77 -0.70 114.38 116.47 1of6 h ARG 365 Ca 0.16 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 1of6 h ARG 365 Cb 0.53 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1of6 h ARG 365 CO 0.03 0.03 -0.78 0.93 -1.51 0.00 0.00 179.97 178.67 1of6 h GLU 366 N 0.05 0.00 -0.11 0.20 4.39 -1.21 -2.64 114.58 115.25 1of6 h GLU 366 Ca 0.47 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.06 1of6 h GLU 366 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1of6 h GLU 366 CO -0.80 0.78 -0.44 0.28 -1.16 0.00 0.00 179.01 177.66 1of6 h VAL 367 N 0.00 1.32 0.00 3.13 2.07 -0.91 -3.52 116.25 118.34 1of6 h VAL 367 Ca -0.01 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1of6 h VAL 367 Cb 1.40 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1of6 h VAL 367 CO 0.10 0.48 0.00 0.59 0.02 0.00 0.00 177.57 178.76