#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8j s PRO 2 N 0.00 4.10 0.07 -2.82 0.04 -1.26 -5.10 135.00 130.02 1b8j s PRO 2 Ca 0.00 -0.26 0.03 0.00 0.04 0.00 0.00 61.00 60.81 1b8j s PRO 2 Cb 0.00 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1b8j s PRO 2 CO 0.00 0.13 -0.10 -2.00 0.04 0.00 0.00 177.00 175.06 1b8j s GLU 3 N 0.86 0.71 -0.25 4.56 2.12 -1.26 -5.14 118.70 120.30 1b8j s GLU 3 Ca 0.07 -0.95 -0.09 0.00 0.36 0.00 0.00 54.97 54.37 1b8j s GLU 3 Cb -0.13 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.70 1b8j s GLU 3 CO 0.03 0.10 0.13 -1.64 -0.54 0.00 0.00 175.26 173.33 1b8j s MET 4 N -2.03 3.88 0.40 4.30 -1.94 -1.26 -4.87 119.30 117.77 1b8j s MET 4 Ca -0.03 -0.37 -0.23 0.00 -1.71 0.00 0.00 55.69 53.36 1b8j s MET 4 Cb -0.08 -3.48 -0.10 0.00 2.01 0.00 0.00 34.83 33.19 1b8j s MET 4 CO 0.01 -0.09 0.96 -1.25 -0.01 0.00 0.00 175.02 174.64 1b8j s PRO 5 N 1.42 4.30 0.09 2.03 0.04 -1.26 -4.95 135.00 136.67 1b8j s PRO 5 Ca 0.06 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1b8j s PRO 5 Cb -0.15 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1b8j s PRO 5 CO 0.06 0.02 0.05 0.14 0.04 0.00 0.00 177.00 177.32 1b8j s VAL 6 N -1.95 4.32 -0.05 -0.36 -7.23 -1.26 -4.80 120.40 109.06 1b8j s VAL 6 Ca 0.58 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 59.59 1b8j s VAL 6 Cb -0.13 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.65 1b8j s VAL 6 CO 0.18 0.11 2.04 -0.76 -0.31 0.00 0.00 175.10 176.36 1b8j s LEU 7 N -2.39 4.10 0.08 1.32 1.43 -0.36 -4.85 118.68 118.00 1b8j s LEU 7 Ca 0.28 2.38 -0.14 0.00 -1.03 0.00 0.00 54.13 55.63 1b8j s LEU 7 Cb -0.12 -3.52 -0.22 0.00 0.03 0.00 0.00 46.19 42.36 1b8j s LEU 7 CO 0.21 -1.35 1.21 -0.08 0.23 0.00 0.00 176.35 176.56 1b8j h GLU 8 N 12.04 0.72 -1.27 1.70 4.57 -1.96 -3.43 114.58 126.95 1b8j h GLU 8 Ca -0.46 -0.74 0.02 0.00 -1.18 0.00 0.00 59.36 57.00 1b8j h GLU 8 Cb 1.23 0.20 -0.23 0.00 -0.16 0.00 0.00 28.75 29.79 1b8j h GLU 8 CO 0.95 1.32 -0.32 1.21 -1.18 0.00 0.00 179.01 180.98 1b8j s ASN 9 N -7.26 -0.94 -0.31 1.04 3.84 -1.26 -4.99 114.94 105.06 1b8j s ASN 9 Ca -0.10 0.72 0.08 0.00 0.21 0.00 0.00 52.86 53.77 1b8j s ASN 9 Cb 0.07 1.88 0.48 0.00 -0.55 0.00 0.00 41.25 43.13 1b8j s ASN 9 CO 0.92 -0.27 1.41 0.54 -2.79 0.00 0.00 177.10 176.91 1b8j n ARG 10 N 5.41 2.29 -2.45 0.43 5.12 -1.26 -4.90 116.66 121.30 1b8j n ARG 10 Ca -0.02 -3.46 -0.31 0.00 -1.93 0.00 0.00 57.85 52.12 1b8j n ARG 10 Cb 0.51 -1.93 -0.03 0.00 -1.16 0.00 0.00 32.46 29.84 1b8j n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b8j s ALA 11 N -3.39 3.15 0.11 7.54 0.00 -1.26 -4.73 121.76 123.17 1b8j s ALA 11 Ca 0.47 0.04 -0.35 0.00 0.00 0.00 0.00 51.96 52.11 1b8j s ALA 11 Cb 0.41 -3.00 -0.17 0.00 0.00 0.00 0.00 23.12 20.36 1b8j s ALA 11 CO -0.01 -0.24 1.17 0.00 0.00 0.00 0.00 175.76 176.68 1b8j n ALA 12 N -1.67 -1.55 0.34 0.00 0.00 0.97 -4.43 120.51 114.17 1b8j n ALA 12 Ca 0.05 0.51 0.14 0.00 0.00 0.00 0.00 53.44 54.15 1b8j n ALA 12 Cb 0.54 -1.97 0.50 0.00 0.00 0.00 0.00 19.45 18.53 1b8j n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1b8j h GLN 13 N 3.59 0.00 0.00 0.00 1.08 -0.51 -3.48 115.11 115.78 1b8j h GLN 13 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1b8j h GLN 13 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1b8j h GLN 13 CO 0.71 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.00 1b8j n GLY 14 N 0.39 3.53 3.60 3.46 0.00 0.13 -5.03 105.19 111.27 1b8j n GLY 14 Ca 0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1b8j n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b8j s ASP 15 N 1.79 6.68 0.34 1.61 -1.08 -1.24 -4.82 116.67 119.94 1b8j s ASP 15 Ca 0.00 0.58 0.24 0.00 -0.52 0.00 0.00 52.55 52.86 1b8j s ASP 15 Cb 0.00 -2.47 1.21 0.00 -1.46 0.00 0.00 42.92 40.20 1b8j s ASP 15 CO 0.00 -0.87 1.74 0.16 0.52 0.00 0.00 175.17 176.72 1b8j h ILE 16 N 5.83 0.00 0.00 4.11 3.07 -1.98 -1.67 117.51 126.88 1b8j h ILE 16 Ca -0.23 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.08 1b8j h ILE 16 Cb 1.08 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1b8j h ILE 16 CO 0.99 0.00 -0.44 0.35 -1.05 0.00 0.00 178.15 178.00 1b8j n THR 17 N -2.35 0.12 -4.09 0.16 -2.24 -1.26 -4.51 114.28 100.11 1b8j n THR 17 Ca -0.00 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1b8j n THR 17 Cb 0.11 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 1b8j n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8j s ALA 18 N -3.05 3.63 -0.02 6.98 0.00 -0.63 -5.03 121.76 123.65 1b8j s ALA 18 Ca 0.10 -1.34 -0.36 0.00 0.00 0.00 0.00 51.96 50.36 1b8j s ALA 18 Cb 0.16 -1.38 -0.15 0.00 0.00 0.00 0.00 23.12 21.76 1b8j s ALA 18 CO 0.68 0.32 1.60 -2.30 0.00 0.00 0.00 175.76 176.05 1b8j n PRO 19 N -1.00 1.59 -0.81 0.00 -0.02 -1.26 -0.67 135.00 132.82 1b8j n PRO 19 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1b8j n PRO 19 Cb 0.57 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1b8j n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b8j n GLY 20 N 3.51 0.32 0.25 -1.23 0.00 -1.26 -4.86 105.19 101.91 1b8j n GLY 20 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1b8j n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b8j h GLY 21 N 0.00 0.00 -0.49 -0.02 0.00 -0.99 -3.20 103.07 98.36 1b8j h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b8j h GLY 21 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.39 1b8j n ALA 22 N -2.08 2.86 -1.77 3.60 0.00 -1.26 0.20 120.51 122.05 1b8j n ALA 22 Ca 0.02 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1b8j n ALA 22 Cb 0.41 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1b8j n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1b8j s ARG 23 N -2.23 4.10 -0.02 0.00 0.52 -1.21 -4.57 118.95 115.53 1b8j s ARG 23 Ca 0.29 2.60 0.21 0.00 -0.52 0.00 0.00 55.73 58.32 1b8j s ARG 23 Cb 0.20 -2.97 -0.29 0.00 0.52 0.00 0.00 34.95 32.40 1b8j s ARG 23 CO 0.42 -0.58 0.63 0.54 0.02 0.00 0.00 175.30 176.33 1b8j n ARG 24 N 0.85 0.45 -3.96 3.54 1.74 -1.26 -0.21 116.66 117.82 1b8j n ARG 24 Ca 0.03 -0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 1b8j n ARG 24 Cb 0.39 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1b8j n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1b8j s LEU 25 N -3.92 4.25 0.00 0.55 1.43 -1.26 -4.50 118.68 115.23 1b8j s LEU 25 Ca -0.02 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1b8j s LEU 25 Cb 0.14 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1b8j s LEU 25 CO 0.88 0.12 0.50 0.35 0.23 0.00 0.00 176.35 178.42 1b8j n THR 26 N -0.08 0.00 0.00 5.49 -2.24 -1.26 -4.97 114.28 111.23 1b8j n THR 26 Ca -0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1b8j n THR 26 Cb 0.53 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1b8j n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b8j n GLY 27 N 0.18 -0.87 3.75 3.38 0.00 -1.26 -5.14 105.19 105.23 1b8j n GLY 27 Ca 0.01 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1b8j n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b8j n ASP 28 N 0.00 3.70 -0.54 1.61 2.03 -1.26 -4.94 116.55 117.15 1b8j n ASP 28 Ca 0.00 1.20 0.12 0.00 0.52 0.00 0.00 54.79 56.62 1b8j n ASP 28 Cb 0.00 -1.59 0.12 0.00 -0.72 0.00 0.00 41.12 38.92 1b8j n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b8j n GLN 29 N 1.09 1.39 0.09 -0.67 1.13 -1.26 -4.67 117.38 114.47 1b8j n GLN 29 Ca 0.04 -1.08 -0.14 0.00 -1.94 0.00 0.00 57.00 53.88 1b8j n GLN 29 Cb 0.38 -1.48 -0.09 0.00 0.11 0.00 0.00 30.24 29.16 1b8j n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1b8j h THR 30 N 2.65 0.00 -0.83 5.09 2.02 -1.99 -0.06 112.91 119.79 1b8j h THR 30 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1b8j h THR 30 Cb 0.74 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1b8j h THR 30 CO 0.00 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.39 1b8j h ALA 31 N -0.65 1.14 -0.80 6.16 0.00 -1.99 0.60 119.26 123.72 1b8j h ALA 31 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1b8j h ALA 31 Cb 0.66 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1b8j h ALA 31 CO -0.26 0.21 0.46 0.00 0.00 0.00 0.00 179.25 179.66 1b8j h ALA 32 N 1.41 1.02 -0.44 0.00 0.00 -1.70 -0.94 119.26 118.61 1b8j h ALA 32 Ca 0.37 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1b8j h ALA 32 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1b8j h ALA 32 CO -0.19 0.50 -0.17 1.25 0.00 0.00 0.00 179.25 180.65 1b8j h LEU 33 N 1.10 0.91 -1.23 0.00 5.85 0.30 -2.90 115.31 119.34 1b8j h LEU 33 Ca 0.28 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1b8j h LEU 33 Cb -0.01 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1b8j h LEU 33 CO -0.05 1.09 0.53 0.03 -0.34 0.00 0.00 178.44 179.71 1b8j h ARG 34 N 0.72 0.98 0.00 1.25 3.08 -0.62 0.06 114.38 119.85 1b8j h ARG 34 Ca 0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1b8j h ARG 34 Cb 0.73 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1b8j h ARG 34 CO 0.06 0.65 0.00 -0.25 -1.07 0.00 0.00 179.97 179.35 1b8j n ASP 35 N -4.45 0.13 0.00 7.04 9.92 -0.38 -2.83 116.55 125.99 1b8j n ASP 35 Ca 0.10 0.53 0.11 0.00 -0.53 0.00 0.00 54.79 55.00 1b8j n ASP 35 Cb 0.10 -0.56 0.12 0.00 -0.64 0.00 0.00 41.12 40.15 1b8j n ASP 35 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1b8j n SER 36 N -1.64 0.66 -4.61 -2.24 7.64 -0.00 -4.43 113.62 109.01 1b8j n SER 36 Ca 0.04 -0.48 -0.41 0.00 1.01 0.00 0.00 58.87 59.03 1b8j n SER 36 Cb 0.23 0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 63.88 1b8j n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1b8j s LEU 37 N -3.06 4.11 -0.14 -3.43 1.43 -1.13 -4.70 118.68 111.76 1b8j s LEU 37 Ca 0.10 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1b8j s LEU 37 Cb 0.17 -2.95 0.04 0.00 0.03 0.00 0.00 46.19 43.48 1b8j s LEU 37 CO 0.76 -0.54 0.36 -0.55 0.23 0.00 0.00 176.35 176.61 1b8j s SER 38 N 1.61 -0.40 -0.00 2.29 0.15 -1.26 -5.02 113.70 111.07 1b8j s SER 38 Ca 0.29 0.75 0.19 0.00 0.70 0.00 0.00 55.95 57.88 1b8j s SER 38 Cb -0.15 0.72 0.55 0.00 -1.71 0.00 0.00 66.02 65.43 1b8j s SER 38 CO 0.12 -0.14 1.46 -0.90 1.20 0.00 0.00 173.24 174.97 1b8j n ASP 39 N 3.30 3.67 -4.70 5.45 5.68 -1.26 -1.57 116.55 127.12 1b8j n ASP 39 Ca -0.16 -2.01 -0.36 0.00 -0.50 0.00 0.00 54.79 51.76 1b8j n ASP 39 Cb 0.57 -0.42 0.09 0.00 -1.14 0.00 0.00 41.12 40.21 1b8j n ASP 39 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1b8j n LYS 40 N 1.31 0.79 -1.84 0.11 4.01 -1.26 -4.87 118.16 116.41 1b8j n LYS 40 Ca 0.21 0.33 -0.35 0.00 -0.51 0.00 0.00 58.31 57.99 1b8j n LYS 40 Cb 0.57 -2.45 0.05 0.00 -0.51 0.00 0.00 35.03 32.69 1b8j n LYS 40 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 1b8j s PRO 41 N -3.51 2.75 -0.15 1.97 0.02 -1.26 -4.41 135.00 130.41 1b8j s PRO 41 Ca 0.79 1.73 -0.13 0.00 0.02 0.00 0.00 61.00 63.41 1b8j s PRO 41 Cb -0.36 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.21 1b8j s PRO 41 CO 0.44 -1.36 0.28 0.00 -0.33 0.00 0.00 177.00 176.04 1b8j s ALA 42 N -1.82 3.62 0.01 -1.55 0.00 0.71 -4.93 121.76 117.80 1b8j s ALA 42 Ca 0.75 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 1b8j s ALA 42 Cb -0.28 -2.35 -0.28 0.00 0.00 0.00 0.00 23.12 20.21 1b8j s ALA 42 CO 0.37 0.16 0.89 -0.22 0.00 0.00 0.00 175.76 176.96 1b8j h LYS 43 N 6.42 0.25 -5.02 0.00 3.64 -1.13 -3.38 116.57 117.34 1b8j h LYS 43 Ca -0.43 -0.42 -0.32 0.00 -1.27 0.00 0.00 60.65 58.21 1b8j h LYS 43 Cb 1.17 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 1b8j h LYS 43 CO 0.73 1.12 -0.70 -0.80 -2.27 0.00 0.00 179.45 177.53 1b8j s ASN 44 N -6.98 1.71 -0.02 4.20 0.01 -0.94 -3.38 114.94 109.53 1b8j s ASN 44 Ca -0.08 -1.05 0.01 0.00 -0.71 0.00 0.00 52.86 51.02 1b8j s ASN 44 Cb 0.07 0.01 0.02 0.00 0.41 0.00 0.00 41.25 41.76 1b8j s ASN 44 CO 0.86 -0.38 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.42 1b8j s ILE 45 N -3.39 0.21 -0.23 0.60 1.01 -0.58 -1.88 121.20 116.94 1b8j s ILE 45 Ca 0.18 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1b8j s ILE 45 Cb 0.03 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.28 1b8j s ILE 45 CO 0.01 0.13 -0.14 -0.63 0.00 0.00 0.00 174.94 174.31 1b8j s ILE 46 N 0.79 2.14 -0.32 2.92 1.01 -0.11 -1.36 121.20 126.28 1b8j s ILE 46 Ca -0.08 -1.36 -0.08 0.00 0.00 0.00 0.00 60.65 59.13 1b8j s ILE 46 Cb -0.11 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1b8j s ILE 46 CO -0.01 0.20 0.12 -0.22 0.00 0.00 0.00 174.94 175.02 1b8j s LEU 47 N 1.18 4.10 -0.18 2.97 2.96 -0.13 -0.96 118.68 128.62 1b8j s LEU 47 Ca -0.03 -0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 53.08 1b8j s LEU 47 Cb -0.17 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1b8j s LEU 47 CO -0.08 -0.24 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.92 1b8j s LEU 48 N 1.52 3.15 -0.16 -0.68 2.01 0.18 -0.06 118.68 124.65 1b8j s LEU 48 Ca 0.02 -0.21 0.01 0.00 0.01 0.00 0.00 54.13 53.96 1b8j s LEU 48 Cb -0.18 -1.77 0.00 0.00 0.01 0.00 0.00 46.19 44.25 1b8j s LEU 48 CO 0.04 0.11 -0.17 -0.63 1.01 0.00 0.00 176.35 176.71 1b8j s ILE 49 N 0.72 2.47 -0.31 -0.59 -1.09 -0.15 -1.60 121.20 120.65 1b8j s ILE 49 Ca -0.02 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.42 1b8j s ILE 49 Cb -0.14 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.68 1b8j s ILE 49 CO 0.02 0.52 0.37 -0.83 -1.23 0.00 0.00 174.94 173.79 1b8j s GLY 50 N 0.90 1.89 -0.16 6.18 0.00 0.88 -0.93 107.32 116.09 1b8j s GLY 50 Ca -0.04 -1.04 -0.29 0.00 0.00 0.00 0.00 44.72 43.34 1b8j s GLY 50 CO -0.02 0.99 1.52 -0.35 0.00 0.00 0.00 173.10 175.24 1b8j s ASP 51 N 1.71 6.64 -0.00 1.64 -1.08 -0.97 -2.16 116.67 122.44 1b8j s ASP 51 Ca 0.13 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.98 1b8j s ASP 51 Cb -0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1b8j s ASP 51 CO 0.11 -1.00 0.00 0.61 0.52 0.00 0.00 175.17 175.41 1b8j n GLY 52 N 4.18 0.48 3.35 2.66 0.00 -1.24 -0.70 105.19 113.92 1b8j n GLY 52 Ca 0.17 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1b8j n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1b8j n MET 53 N -2.96 3.37 -1.02 1.61 1.56 -0.92 -3.75 117.12 115.01 1b8j n MET 53 Ca -0.00 -3.67 -0.10 0.00 -0.27 0.00 0.00 57.70 53.66 1b8j n MET 53 Cb 0.01 -3.10 0.06 0.00 2.15 0.00 0.00 33.22 32.34 1b8j n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1b8j n GLY 54 N 4.05 -0.35 0.31 -5.12 0.00 -1.26 -4.46 105.19 98.36 1b8j n GLY 54 Ca 0.40 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.61 1b8j n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b8j h ASP 55 N -0.46 0.58 -0.74 1.61 3.32 -1.92 -1.98 116.42 116.82 1b8j h ASP 55 Ca -0.15 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1b8j h ASP 55 Cb 0.46 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1b8j h ASP 55 CO 0.12 0.49 0.27 -1.28 -1.72 0.00 0.00 179.24 177.12 1b8j h SER 56 N 0.65 1.05 -0.07 6.45 0.87 -1.92 -1.56 113.55 119.03 1b8j h SER 56 Ca 0.17 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 1b8j h SER 56 Cb 0.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1b8j h SER 56 CO -0.02 0.95 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.61 1b8j h GLU 57 N 1.08 0.53 -0.46 2.24 3.07 -1.68 -1.70 114.58 117.67 1b8j h GLU 57 Ca 0.24 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1b8j h GLU 57 Cb 0.25 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1b8j h GLU 57 CO -0.02 0.76 0.01 0.82 -1.40 0.00 0.00 179.01 179.19 1b8j h ILE 58 N 0.46 1.26 -0.45 3.13 2.04 -0.96 -2.32 117.51 120.67 1b8j h ILE 58 Ca 0.06 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1b8j h ILE 58 Cb 0.74 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1b8j h ILE 58 CO 0.06 0.36 0.03 0.74 0.00 0.00 0.00 178.15 179.34 1b8j h THR 59 N 0.66 1.26 -0.64 -0.27 2.02 -1.07 0.46 112.91 115.32 1b8j h THR 59 Ca 0.13 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1b8j h THR 59 Cb 0.49 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1b8j h THR 59 CO 0.02 0.34 0.21 0.00 0.37 0.00 0.00 175.52 176.46 1b8j h ALA 60 N 0.92 0.84 -0.25 6.16 0.00 -1.25 0.17 119.26 125.85 1b8j h ALA 60 Ca 0.13 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1b8j h ALA 60 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1b8j h ALA 60 CO 0.02 0.50 -0.52 0.00 0.00 0.00 0.00 179.25 179.25 1b8j h ALA 61 N 1.08 0.62 0.01 0.00 0.00 -1.29 -2.22 119.26 117.47 1b8j h ALA 61 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b8j h ALA 61 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1b8j h ALA 61 CO -0.01 0.68 -0.00 -0.09 0.00 0.00 0.00 179.25 179.83 1b8j h ARG 62 N 0.55 -0.01 -0.48 0.00 2.43 -0.55 -1.03 114.38 115.29 1b8j h ARG 62 Ca 0.02 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1b8j h ARG 62 Cb 1.08 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.55 1b8j h ARG 62 CO 0.11 0.32 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.92 1b8j h ASN 63 N -0.35 -0.31 -0.13 -3.80 2.35 -0.96 0.33 115.58 112.72 1b8j h ASN 63 Ca -0.00 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1b8j h ASN 63 Cb 0.34 0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1b8j h ASN 63 CO 0.00 -0.11 -0.12 0.22 -1.65 0.00 0.00 177.43 175.77 1b8j h TYR 64 N 0.06 0.37 0.00 1.19 5.03 -1.35 -1.82 116.97 120.44 1b8j h TYR 64 Ca 0.24 -0.11 -0.09 0.00 2.58 0.00 0.00 58.73 61.35 1b8j h TYR 64 Cb 0.36 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1b8j h TYR 64 CO -0.35 0.71 -1.51 0.00 -1.32 0.00 0.00 178.16 175.69 1b8j n ALA 65 N -2.41 2.32 -0.05 1.82 0.00 -0.39 -1.64 120.51 120.16 1b8j n ALA 65 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1b8j n ALA 65 Cb 0.34 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1b8j n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b8j n GLU 66 N -2.64 4.18 0.00 0.00 -0.58 0.10 -4.86 120.64 116.84 1b8j n GLU 66 Ca -0.07 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1b8j n GLU 66 Cb 0.70 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 1b8j n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b8j n GLY 67 N 0.62 -0.62 0.37 0.62 0.00 -0.32 -3.38 105.19 102.47 1b8j n GLY 67 Ca 0.00 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.58 1b8j n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8j h ALA 68 N 0.00 2.22 -0.67 4.61 0.00 -1.79 0.47 119.26 124.11 1b8j h ALA 68 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b8j h ALA 68 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b8j h ALA 68 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1b8j n GLY 69 N -1.57 2.27 0.00 0.00 0.00 -1.26 -4.88 105.19 99.76 1b8j n GLY 69 Ca 0.10 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1b8j n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8j n GLY 70 N 1.63 -0.33 3.60 -0.02 0.00 0.16 -0.02 105.19 110.21 1b8j n GLY 70 Ca 0.23 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 1b8j n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b8j s PHE 71 N 0.09 -1.05 -0.15 1.61 5.36 -1.26 -4.56 117.98 118.03 1b8j s PHE 71 Ca 0.00 2.07 -0.29 0.00 -0.96 0.00 0.00 56.93 57.75 1b8j s PHE 71 Cb 0.00 0.62 -0.01 0.00 -0.34 0.00 0.00 43.02 43.29 1b8j s PHE 71 CO 0.00 -0.52 1.14 -0.06 -1.46 0.00 0.00 175.22 174.31 1b8j s PHE 72 N 1.74 3.19 0.01 10.12 0.08 -1.26 -4.90 117.98 126.96 1b8j s PHE 72 Ca -0.10 1.29 0.32 0.00 0.12 0.00 0.00 56.93 58.57 1b8j s PHE 72 Cb -0.06 -3.36 1.38 0.00 -0.57 0.00 0.00 43.02 40.41 1b8j s PHE 72 CO -0.19 -0.99 1.95 0.87 -0.10 0.00 0.00 175.22 176.76 1b8j h LYS 73 N 7.62 0.00 0.00 0.44 1.57 -1.96 -2.12 116.57 122.12 1b8j h LYS 73 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1b8j h LYS 73 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1b8j h LYS 73 CO 0.93 0.00 -0.51 0.41 -0.57 0.00 0.00 179.45 179.71 1b8j n GLY 74 N -0.12 -0.43 0.36 3.86 0.00 -1.26 -4.44 105.19 103.16 1b8j n GLY 74 Ca 0.01 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1b8j n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b8j h ILE 75 N -0.51 0.89 -0.03 -0.61 2.04 -1.81 -1.88 117.51 115.61 1b8j h ILE 75 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1b8j h ILE 75 Cb 0.51 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1b8j h ILE 75 CO 0.00 0.09 -0.14 0.47 0.00 0.00 0.00 178.15 178.58 1b8j n ASP 76 N -4.48 2.72 -0.23 1.72 8.00 -0.80 -4.29 116.55 119.20 1b8j n ASP 76 Ca 0.12 -1.86 0.13 0.00 0.71 0.00 0.00 54.79 53.89 1b8j n ASP 76 Cb 0.39 0.14 0.42 0.00 -0.02 0.00 0.00 41.12 42.06 1b8j n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b8j n ALA 77 N 0.96 3.01 -2.48 2.24 0.00 -0.70 -4.85 120.51 118.68 1b8j n ALA 77 Ca 0.13 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1b8j n ALA 77 Cb 0.56 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1b8j n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b8j s LEU 78 N -2.49 4.29 0.46 0.00 1.02 -1.26 -1.22 118.68 119.48 1b8j s LEU 78 Ca 0.25 1.81 0.27 0.00 0.02 0.00 0.00 54.13 56.48 1b8j s LEU 78 Cb 0.19 -3.56 0.73 0.00 0.02 0.00 0.00 46.19 43.58 1b8j s LEU 78 CO 0.51 -0.55 1.75 1.55 0.02 0.00 0.00 176.35 179.62 1b8j h PRO 79 N 7.35 0.00 -5.08 1.29 0.13 -1.87 -3.44 132.00 130.38 1b8j h PRO 79 Ca -0.35 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.12 1b8j h PRO 79 Cb 1.17 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.00 1b8j h PRO 79 CO 0.87 0.00 -0.77 -0.51 -0.23 0.00 0.00 178.00 177.35 1b8j s LEU 80 N -6.03 2.63 0.09 1.56 2.01 -1.17 -5.01 118.68 112.76 1b8j s LEU 80 Ca 0.05 -0.46 0.03 0.00 0.01 0.00 0.00 54.13 53.76 1b8j s LEU 80 Cb 0.07 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.60 1b8j s LEU 80 CO 0.61 0.02 -0.09 0.42 1.01 0.00 0.00 176.35 178.32 1b8j s THR 81 N 1.21 0.85 0.00 5.49 -4.23 -1.26 -0.55 115.64 117.15 1b8j s THR 81 Ca 0.02 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1b8j s THR 81 Cb -0.14 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1b8j s THR 81 CO -0.04 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 1b8j n GLY 82 N 0.48 2.63 3.10 3.99 0.00 -0.06 -4.06 105.19 111.27 1b8j n GLY 82 Ca -0.16 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1b8j n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8j s GLN 83 N -0.55 1.00 0.06 1.61 1.11 -1.03 -1.45 119.66 120.40 1b8j s GLN 83 Ca 0.00 -0.52 0.04 0.00 0.01 0.00 0.00 55.36 54.88 1b8j s GLN 83 Cb 0.00 -0.97 -0.03 0.00 -1.01 0.00 0.00 33.01 31.00 1b8j s GLN 83 CO 0.00 0.26 -0.11 1.52 0.01 0.00 0.00 175.29 176.97 1b8j s TYR 84 N -0.43 0.95 0.17 0.91 1.13 -0.15 -2.19 117.35 117.74 1b8j s TYR 84 Ca 0.04 -0.49 -0.08 0.00 -1.41 0.00 0.00 57.07 55.13 1b8j s TYR 84 Cb -0.06 -0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 40.20 1b8j s TYR 84 CO -0.00 -0.01 0.46 0.95 -2.51 0.00 0.00 175.55 174.43 1b8j s THR 85 N -1.37 5.04 -0.08 -3.49 -4.23 -0.58 -2.51 115.64 108.43 1b8j s THR 85 Ca -0.06 0.32 0.15 0.00 -1.18 0.00 0.00 61.69 60.93 1b8j s THR 85 Cb -0.10 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.42 1b8j s THR 85 CO 0.01 0.05 1.14 0.00 -0.54 0.00 0.00 174.62 175.29 1b8j n HIS 86 N 0.18 0.00 -1.78 3.99 1.44 -1.26 -0.82 115.22 116.98 1b8j n HIS 86 Ca -0.02 -0.75 -0.37 0.00 -2.01 0.00 0.00 57.72 54.57 1b8j n HIS 86 Cb 0.52 -0.16 0.06 0.00 0.12 0.00 0.00 29.99 30.54 1b8j n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1b8j s TYR 87 N -1.36 2.12 0.07 -1.40 1.13 -1.26 -4.51 117.35 112.14 1b8j s TYR 87 Ca 0.28 1.48 0.01 0.00 -1.41 0.00 0.00 57.07 57.42 1b8j s TYR 87 Cb 0.28 -3.68 0.01 0.00 -1.10 0.00 0.00 41.96 37.47 1b8j s TYR 87 CO -0.07 -2.85 0.08 0.00 -2.51 0.00 0.00 175.55 170.20 1b8j n ALA 88 N -1.81 0.13 -2.43 9.51 0.00 -0.41 -4.92 120.51 120.59 1b8j n ALA 88 Ca 0.15 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 1b8j n ALA 88 Cb 0.48 0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 1b8j n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b8j s LEU 89 N 0.00 2.30 -0.03 0.00 1.43 0.15 -0.68 118.68 121.85 1b8j s LEU 89 Ca 0.06 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 1b8j s LEU 89 Cb -0.00 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1b8j s LEU 89 CO 0.04 0.15 1.10 0.21 0.23 0.00 0.00 176.35 178.08 1b8j s ASN 90 N -1.93 7.18 0.17 2.29 3.84 0.11 -4.00 114.94 122.59 1b8j s ASN 90 Ca 0.12 1.74 -0.15 0.00 0.21 0.00 0.00 52.86 54.78 1b8j s ASN 90 Cb -0.10 -2.56 0.12 0.00 -0.55 0.00 0.00 41.25 38.15 1b8j s ASN 90 CO 0.05 -0.45 1.75 0.50 -2.79 0.00 0.00 177.10 176.16 1b8j h LYS 91 N 7.09 0.30 0.43 0.43 3.64 -1.93 0.88 116.57 127.40 1b8j h LYS 91 Ca -0.36 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 1b8j h LYS 91 Cb 1.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1b8j h LYS 91 CO 0.83 0.20 -0.21 0.87 -2.27 0.00 0.00 179.45 178.87 1b8j h LYS 92 N 0.30 -0.56 0.00 1.90 1.57 -1.94 -3.36 116.57 114.49 1b8j h LYS 92 Ca 0.20 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1b8j h LYS 92 Cb 0.20 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1b8j h LYS 92 CO -0.21 -0.26 -0.74 1.79 -0.57 0.00 0.00 179.45 179.46 1b8j h THR 93 N -0.85 0.25 0.00 -0.16 1.35 -1.98 -3.48 112.91 108.05 1b8j h THR 93 Ca -0.06 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1b8j h THR 93 Cb 0.56 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1b8j h THR 93 CO 0.10 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1b8j n GLY 94 N 1.21 0.56 3.91 5.82 0.00 0.30 -4.99 105.19 112.01 1b8j n GLY 94 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1b8j n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8j s LYS 95 N -0.27 3.22 0.38 1.61 1.02 -1.26 -4.71 119.74 119.73 1b8j s LYS 95 Ca 0.00 0.06 -0.27 0.00 0.02 0.00 0.00 55.97 55.77 1b8j s LYS 95 Cb 0.00 -2.34 -0.10 0.00 -0.52 0.00 0.00 37.83 34.87 1b8j s LYS 95 CO 0.00 -0.44 1.35 -2.14 -0.92 0.00 0.00 175.35 173.20 1b8j s PRO 96 N -4.85 4.12 -0.34 -1.68 0.02 -1.26 0.06 135.00 131.07 1b8j s PRO 96 Ca 0.51 2.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.78 1b8j s PRO 96 Cb -0.10 -2.91 0.06 0.00 0.02 0.00 0.00 34.50 31.57 1b8j s PRO 96 CO 0.45 -0.42 0.08 0.34 -0.33 0.00 0.00 177.00 177.11 1b8j s ASP 97 N -0.50 5.09 0.61 2.53 -1.08 0.14 -4.59 116.67 118.87 1b8j s ASP 97 Ca 0.53 -1.43 0.31 0.00 -0.52 0.00 0.00 52.55 51.45 1b8j s ASP 97 Cb -0.41 -1.78 1.75 0.00 -1.46 0.00 0.00 42.92 41.02 1b8j s ASP 97 CO 0.54 -0.35 2.09 1.88 0.52 0.00 0.00 175.17 179.85 1b8j h TYR 98 N 8.07 0.00 -3.77 -5.34 0.05 -1.94 -1.08 116.97 112.97 1b8j h TYR 98 Ca -0.20 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.93 1b8j h TYR 98 Cb 1.06 0.00 -0.38 0.00 1.01 0.00 0.00 36.73 38.42 1b8j h TYR 98 CO 0.60 0.00 -0.78 0.08 -1.05 0.00 0.00 178.16 177.00 1b8j s VAL 99 N -4.47 1.99 0.61 -2.88 1.01 -1.26 -4.49 120.40 110.90 1b8j s VAL 99 Ca -0.04 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 1b8j s VAL 99 Cb 0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1b8j s VAL 99 CO 0.48 -0.15 1.03 0.28 0.00 0.00 0.00 175.10 176.74 1b8j s THR 100 N 1.16 4.70 0.00 3.92 -1.32 -1.26 -4.83 115.64 118.00 1b8j s THR 100 Ca -0.05 0.91 0.00 0.00 -1.21 0.00 0.00 61.69 61.34 1b8j s THR 100 Cb -0.19 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 66.94 1b8j s THR 100 CO -0.06 -1.11 0.00 -0.90 -2.21 0.00 0.00 174.62 170.34 1b8j n ASP 101 N -2.65 0.00 0.00 8.08 5.75 -1.26 -4.92 116.55 121.55 1b8j n ASP 101 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1b8j n ASP 101 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1b8j n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b8j n ALA 103 N -3.00 0.00 0.10 2.12 0.00 -1.26 -3.14 120.51 115.33 1b8j n ALA 103 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1b8j n ALA 103 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 1b8j n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8j h ALA 104 N 0.00 1.37 -0.12 0.00 0.00 -1.77 -2.31 119.26 116.42 1b8j h ALA 104 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1b8j h ALA 104 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1b8j h ALA 104 CO 0.00 0.44 -0.46 0.66 0.00 0.00 0.00 179.25 179.89 1b8j h SER 105 N 0.25 0.61 -0.59 0.00 4.64 -1.87 -2.19 113.55 114.40 1b8j h SER 105 Ca 0.04 -0.62 -0.05 0.00 -0.47 0.00 0.00 61.79 60.70 1b8j h SER 105 Cb 0.51 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1b8j h SER 105 CO 0.03 1.13 0.20 0.00 -0.87 0.00 0.00 176.83 177.32 1b8j h ALA 106 N 0.50 1.17 -0.83 5.18 0.00 -1.84 -2.31 119.26 121.13 1b8j h ALA 106 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1b8j h ALA 106 Cb 1.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1b8j h ALA 106 CO 0.10 0.58 0.37 1.15 0.00 0.00 0.00 179.25 181.45 1b8j h THR 107 N 0.91 1.26 -0.50 0.00 2.02 -1.43 -0.58 112.91 114.60 1b8j h THR 107 Ca 0.21 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1b8j h THR 107 Cb 0.26 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1b8j h THR 107 CO -0.01 0.32 0.30 0.00 0.37 0.00 0.00 175.52 176.50 1b8j h ALA 108 N 1.21 0.64 0.00 6.16 0.00 -0.83 0.16 119.26 126.59 1b8j h ALA 108 Ca 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1b8j h ALA 108 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1b8j h ALA 108 CO -0.03 0.13 -0.46 0.11 0.00 0.00 0.00 179.25 178.99 1b8j h TRP 109 N 0.67 0.00 0.00 0.00 0.09 -1.42 -0.49 115.95 114.80 1b8j h TRP 109 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.16 1b8j h TRP 109 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 1b8j h TRP 109 CO -0.03 0.13 -0.70 -1.13 0.09 0.00 0.00 178.44 176.80 1b8j n SER 110 N -2.99 0.64 0.00 0.11 3.41 -0.23 -3.77 113.62 110.79 1b8j n SER 110 Ca 0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b8j n SER 110 Cb 0.59 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1b8j n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b8j n THR 111 N -1.97 0.00 -0.41 6.66 -2.24 0.50 -0.48 114.28 116.34 1b8j n THR 111 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1b8j n THR 111 Cb 0.42 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1b8j n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b8j n GLY 112 N 2.46 0.79 3.08 3.38 0.00 -0.19 -4.93 105.19 109.77 1b8j n GLY 112 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1b8j n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8j s VAL 113 N -2.00 0.97 0.62 1.61 0.11 -1.25 -4.92 120.40 115.54 1b8j s VAL 113 Ca 0.00 -0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 58.37 1b8j s VAL 113 Cb 0.00 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1b8j s VAL 113 CO 0.00 0.27 1.08 -0.54 -3.33 0.00 0.00 175.10 172.59 1b8j s LYS 114 N -0.27 3.12 0.37 1.54 -0.14 -1.26 -3.72 119.74 119.38 1b8j s LYS 114 Ca 0.04 1.30 -0.08 0.00 -1.36 0.00 0.00 55.97 55.88 1b8j s LYS 114 Cb -0.05 -2.00 0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1b8j s LYS 114 CO -0.00 -0.98 0.62 -2.37 -0.76 0.00 0.00 175.35 171.85 1b8j n THR 115 N -2.13 0.00 -2.90 2.17 5.66 -1.26 -4.52 114.28 111.30 1b8j n THR 115 Ca 0.10 -1.38 -0.26 0.00 -3.05 0.00 0.00 64.05 59.46 1b8j n THR 115 Cb 0.52 1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 70.32 1b8j n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1b8j s TYR 116 N -2.66 3.54 0.19 1.09 1.13 -1.26 -0.67 117.35 118.71 1b8j s TYR 116 Ca 0.22 0.67 -0.32 0.00 -1.41 0.00 0.00 57.07 56.23 1b8j s TYR 116 Cb -0.03 -2.17 -0.11 0.00 -1.10 0.00 0.00 41.96 38.56 1b8j s TYR 116 CO 0.16 -0.13 1.61 -0.80 -2.51 0.00 0.00 175.55 173.88 1b8j s ASN 117 N -4.03 6.51 0.00 -0.18 0.01 -1.26 -1.81 114.94 114.19 1b8j s ASN 117 Ca 0.45 2.72 0.00 0.00 -0.71 0.00 0.00 52.86 55.32 1b8j s ASN 117 Cb -0.10 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1b8j s ASN 117 CO 0.41 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 1b8j n GLY 118 N 3.68 1.86 3.81 0.66 0.00 -1.26 -4.95 105.19 108.98 1b8j n GLY 118 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1b8j n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8j s ALA 119 N -2.45 3.28 -0.20 4.61 0.00 -0.75 -0.32 121.76 125.93 1b8j s ALA 119 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1b8j s ALA 119 Cb 0.00 -2.97 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1b8j s ALA 119 CO 0.00 0.25 -0.09 -0.51 0.00 0.00 0.00 175.76 175.41 1b8j s LEU 120 N -2.34 2.29 -0.95 0.00 1.43 -0.91 -3.64 118.68 114.56 1b8j s LEU 120 Ca 0.50 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1b8j s LEU 120 Cb -0.15 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1b8j s LEU 120 CO 0.20 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1b8j n GLY 121 N 4.70 1.06 3.15 -3.19 0.00 -1.25 -1.36 105.19 108.29 1b8j n GLY 121 Ca -0.14 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1b8j n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b8j s VAL 122 N -2.28 0.55 0.00 1.61 -7.23 -1.26 -2.00 120.40 109.79 1b8j s VAL 122 Ca 0.00 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1b8j s VAL 122 Cb 0.00 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1b8j s VAL 122 CO 0.00 -0.87 0.00 -0.90 -0.31 0.00 0.00 175.10 173.02 1b8j n ASP 123 N -0.01 0.00 0.13 4.85 5.68 -0.83 -4.76 116.55 121.60 1b8j n ASP 123 Ca -0.12 -0.91 0.12 0.00 -0.50 0.00 0.00 54.79 53.38 1b8j n ASP 123 Cb 0.61 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.09 1b8j n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1b8j n ILE 124 N -0.96 0.84 0.41 2.12 -5.35 -1.26 -1.16 119.36 114.00 1b8j n ILE 124 Ca 0.00 0.26 0.09 0.00 -0.27 0.00 0.00 62.75 62.83 1b8j n ILE 124 Cb 0.00 -1.19 0.25 0.00 -1.74 0.00 0.00 39.64 36.96 1b8j n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1b8j n HIS 125 N -2.24 0.63 -1.46 4.28 8.25 -1.26 -4.91 115.22 118.51 1b8j n HIS 125 Ca 0.02 -0.32 -0.16 0.00 -0.26 0.00 0.00 57.72 57.01 1b8j n HIS 125 Cb 0.22 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 1b8j n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1b8j n GLU 126 N 1.03 -1.18 -2.87 -0.41 1.02 -0.31 -5.00 120.64 112.93 1b8j n GLU 126 Ca 0.18 1.05 -0.40 0.00 -0.02 0.00 0.00 57.16 57.96 1b8j n GLU 126 Cb 0.46 -5.25 -0.05 0.00 -0.02 0.00 0.00 31.44 26.58 1b8j n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1b8j s LYS 127 N -3.31 4.61 0.30 3.49 2.20 -1.26 -4.73 119.74 121.05 1b8j s LYS 127 Ca 0.00 1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 56.57 1b8j s LYS 127 Cb 0.00 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.88 1b8j s LYS 127 CO 0.00 0.34 1.20 -0.51 -0.36 0.00 0.00 175.35 176.01 1b8j s ASP 128 N -0.36 7.04 -0.06 1.43 1.01 -1.26 -1.96 116.67 122.50 1b8j s ASP 128 Ca 0.41 2.47 0.03 0.00 0.71 0.00 0.00 52.55 56.17 1b8j s ASP 128 Cb -0.22 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.08 1b8j s ASP 128 CO 0.27 -0.32 -0.15 -1.00 0.21 0.00 0.00 175.17 174.18 1b8j s HIS 129 N -1.15 1.63 0.44 4.23 3.76 -0.85 -4.96 115.29 118.40 1b8j s HIS 129 Ca 0.47 -0.58 -0.26 0.00 -0.15 0.00 0.00 55.06 54.54 1b8j s HIS 129 Cb -0.36 -1.15 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 1b8j s HIS 129 CO 0.47 -0.26 1.43 -0.35 -0.85 0.00 0.00 174.74 175.18 1b8j n PRO 130 N 3.59 2.29 -2.89 8.40 -0.04 -1.26 -4.83 135.00 140.26 1b8j n PRO 130 Ca -0.21 0.81 -0.23 0.00 -0.04 0.00 0.00 63.50 63.83 1b8j n PRO 130 Cb 0.52 -2.63 0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1b8j n PRO 130 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1b8j s THR 131 N -1.18 3.74 0.41 0.52 -4.23 -1.26 -4.55 115.64 109.08 1b8j s THR 131 Ca 0.60 -0.50 0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1b8j s THR 131 Cb -0.45 -3.39 0.24 0.00 1.34 0.00 0.00 72.50 70.24 1b8j s THR 131 CO 0.58 -0.28 2.03 -0.29 -0.54 0.00 0.00 174.62 176.12 1b8j h ILE 132 N 0.30 1.11 -0.09 2.99 6.09 -1.10 0.24 117.51 127.05 1b8j h ILE 132 Ca -0.45 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 62.70 1b8j h ILE 132 Cb 1.26 0.66 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 1b8j h ILE 132 CO 0.57 0.13 -0.07 0.25 -3.07 0.00 0.00 178.15 175.95 1b8j h LEU 133 N 0.47 0.22 -0.85 2.19 6.46 -1.85 0.93 115.31 122.89 1b8j h LEU 133 Ca 0.12 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1b8j h LEU 133 Cb 0.03 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1b8j h LEU 133 CO -0.02 0.63 0.54 -0.33 -0.62 0.00 0.00 178.44 178.64 1b8j h GLU 134 N -0.18 1.13 -0.36 1.25 5.08 -1.59 0.10 114.58 120.00 1b8j h GLU 134 Ca 0.02 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1b8j h GLU 134 Cb 0.55 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1b8j h GLU 134 CO 0.02 0.76 -0.29 0.52 -1.00 0.00 0.00 179.01 179.03 1b8j h MET 135 N 1.15 0.76 -0.16 2.33 2.86 -0.89 -0.83 114.93 120.14 1b8j h MET 135 Ca 0.31 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1b8j h MET 135 Cb -0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1b8j h MET 135 CO -0.06 0.95 0.05 0.00 1.06 0.00 0.00 176.91 178.90 1b8j h ALA 136 N 1.03 0.21 -0.41 6.32 0.00 0.22 -2.34 119.26 124.29 1b8j h ALA 136 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1b8j h ALA 136 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1b8j h ALA 136 CO 0.07 -0.16 0.18 -0.22 0.00 0.00 0.00 179.25 179.11 1b8j h LYS 137 N 0.07 0.57 0.00 0.00 3.64 -0.67 -1.30 116.57 118.89 1b8j h LYS 137 Ca 0.05 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1b8j h LYS 137 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1b8j h LYS 137 CO -0.00 0.46 -0.33 0.00 -2.27 0.00 0.00 179.45 177.30 1b8j h ALA 138 N 1.63 1.21 -0.06 5.00 0.00 -0.87 -0.15 119.26 126.02 1b8j h ALA 138 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1b8j h ALA 138 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1b8j h ALA 138 CO -0.02 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1b8j n ALA 139 N -2.37 2.58 -0.43 0.00 0.00 -0.76 -4.90 120.51 114.64 1b8j n ALA 139 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1b8j n ALA 139 Cb 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1b8j n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8j n GLY 140 N 1.10 0.78 3.86 0.00 0.00 -0.07 -5.07 105.19 105.79 1b8j n GLY 140 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1b8j n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b8j s LEU 141 N 0.00 3.81 0.59 0.99 1.43 -0.56 -4.82 118.68 120.11 1b8j s LEU 141 Ca 0.00 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 1b8j s LEU 141 Cb 0.00 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 1b8j s LEU 141 CO 0.00 -0.42 1.03 0.00 0.23 0.00 0.00 176.35 177.18 1b8j s ALA 142 N -2.38 2.92 0.01 4.21 0.00 -0.62 -4.15 121.76 121.75 1b8j s ALA 142 Ca 0.54 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1b8j s ALA 142 Cb -0.10 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1b8j s ALA 142 CO 0.28 -0.66 0.06 0.95 0.00 0.00 0.00 175.76 176.40 1b8j s THR 143 N -2.78 0.09 -0.00 0.00 -4.23 -1.26 -1.21 115.64 106.25 1b8j s THR 143 Ca 0.59 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 60.27 1b8j s THR 143 Cb -0.12 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.39 1b8j s THR 143 CO 0.42 -0.40 0.21 -0.83 -0.54 0.00 0.00 174.62 173.47 1b8j s GLY 144 N -1.30 -0.03 -0.20 3.99 0.00 -0.59 -1.92 107.32 107.26 1b8j s GLY 144 Ca -0.14 0.05 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 1b8j s GLY 144 CO 0.00 -0.12 0.14 0.21 0.00 0.00 0.00 173.10 173.33 1b8j s ASN 145 N -1.36 2.21 -0.03 1.64 2.47 0.28 -2.02 114.94 118.13 1b8j s ASN 145 Ca -0.14 -0.60 0.07 0.00 0.42 0.00 0.00 52.86 52.60 1b8j s ASN 145 Cb -0.07 -0.06 -0.01 0.00 -1.45 0.00 0.00 41.25 39.66 1b8j s ASN 145 CO 0.03 -0.36 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.12 1b8j s VAL 146 N 2.19 1.88 0.11 -5.21 1.01 -0.22 -1.44 120.40 118.73 1b8j s VAL 146 Ca 0.04 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1b8j s VAL 146 Cb -0.16 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.71 1b8j s VAL 146 CO -0.14 0.53 0.57 -0.55 0.00 0.00 0.00 175.10 175.51 1b8j s SER 147 N -0.39 -0.52 0.00 3.32 0.15 -0.14 -0.36 113.70 115.77 1b8j s SER 147 Ca 0.04 0.07 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1b8j s SER 147 Cb -0.11 0.56 0.45 0.00 -1.71 0.00 0.00 66.02 65.22 1b8j s SER 147 CO 0.01 -0.88 1.38 0.35 1.20 0.00 0.00 173.24 175.30 1b8j n THR 148 N -0.09 0.00 -2.27 6.45 -2.24 -1.10 -3.88 114.28 111.15 1b8j n THR 148 Ca -0.17 -0.19 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 1b8j n THR 148 Cb 0.63 0.76 0.14 0.00 -2.10 0.00 0.00 70.33 69.76 1b8j n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8j n ALA 149 N -0.35 -0.44 -1.85 6.98 0.00 -1.26 -0.99 120.51 122.60 1b8j n ALA 149 Ca 0.11 -1.66 -0.41 0.00 0.00 0.00 0.00 53.44 51.48 1b8j n ALA 149 Cb 0.40 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1b8j n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1b8j s GLU 150 N -5.11 4.33 0.16 0.00 2.02 -1.26 -1.30 118.70 117.53 1b8j s GLU 150 Ca 0.62 2.22 0.13 0.00 0.02 0.00 0.00 54.97 57.95 1b8j s GLU 150 Cb -0.03 -3.11 0.64 0.00 0.10 0.00 0.00 34.13 31.74 1b8j s GLU 150 CO 0.42 -0.28 1.39 1.28 0.02 0.00 0.00 175.26 178.09 1b8j n LEU 151 N 1.68 0.30 -0.00 1.80 4.77 -0.10 -0.79 117.00 124.67 1b8j n LEU 151 Ca 0.04 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 1b8j n LEU 151 Cb 0.41 -0.64 0.41 0.00 -2.33 0.00 0.00 43.42 41.27 1b8j n LEU 151 CO 0.59 -0.66 0.67 0.00 -1.33 0.00 0.00 177.39 176.67 1b8j n GLN 152 N -1.88 0.01 -0.99 3.23 3.00 -1.26 -3.79 117.38 115.69 1b8j n GLN 152 Ca 0.00 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1b8j n GLN 152 Cb 0.06 -1.50 0.13 0.00 0.00 0.00 0.00 30.24 28.93 1b8j n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1b8j s ASP 153 N -2.99 3.52 0.26 1.08 2.15 0.03 -4.71 116.67 116.01 1b8j s ASP 153 Ca 0.12 2.18 -0.01 0.00 0.43 0.00 0.00 52.55 55.27 1b8j s ASP 153 Cb 0.18 -2.57 0.57 0.00 -0.30 0.00 0.00 42.92 40.80 1b8j s ASP 153 CO 0.63 -2.71 1.69 0.00 -0.17 0.00 0.00 175.17 174.61 1b8j h ALA 154 N -1.31 1.15 0.15 3.66 0.00 -1.89 -1.95 119.26 119.07 1b8j h ALA 154 Ca -0.44 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1b8j h ALA 154 Cb 1.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1b8j h ALA 154 CO 0.45 -0.32 -0.07 1.15 0.00 0.00 0.00 179.25 180.46 1b8j h THR 155 N 0.34 1.00 0.00 0.00 2.02 -1.93 -1.88 112.91 112.46 1b8j h THR 155 Ca 0.47 -0.73 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1b8j h THR 155 Cb 0.83 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1b8j h THR 155 CO -0.51 0.17 -0.72 1.55 0.37 0.00 0.00 175.52 176.38 1b8j h PRO 156 N -0.56 0.00 -0.44 6.66 0.13 -1.82 -3.33 132.00 132.63 1b8j h PRO 156 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 1b8j h PRO 156 Cb 0.43 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1b8j h PRO 156 CO 0.03 0.72 -0.08 0.00 -0.23 0.00 0.00 178.00 178.44 1b8j h ALA 157 N 1.28 1.02 -0.14 -0.56 0.00 -1.33 -3.12 119.26 116.42 1b8j h ALA 157 Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1b8j h ALA 157 Cb 1.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1b8j h ALA 157 CO 0.09 0.59 0.34 0.00 0.00 0.00 0.00 179.25 180.27 1b8j h ALA 158 N 1.20 1.59 0.00 0.00 0.00 -1.45 0.50 119.26 121.09 1b8j h ALA 158 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1b8j h ALA 158 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b8j h ALA 158 CO 0.03 -0.41 -0.29 -0.07 0.00 0.00 0.00 179.25 178.52 1b8j h LEU 159 N 0.00 0.00 -0.33 0.00 3.38 -1.76 -3.39 115.31 113.21 1b8j h LEU 159 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1b8j h LEU 159 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1b8j h LEU 159 CO -0.00 0.01 0.00 1.33 0.09 0.00 0.00 178.44 179.87 1b8j n VAL 160 N -2.82 0.00 -4.21 1.22 0.24 -0.37 -4.35 118.33 108.03 1b8j n VAL 160 Ca 0.03 -0.23 -0.17 0.00 -2.04 0.00 0.00 64.34 61.94 1b8j n VAL 160 Cb 0.52 1.41 -0.11 0.00 -1.47 0.00 0.00 33.84 34.18 1b8j n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b8j s ALA 161 N -0.12 1.33 -0.30 2.33 0.00 0.02 -4.09 121.76 120.94 1b8j s ALA 161 Ca 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 1b8j s ALA 161 Cb 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.19 1b8j s ALA 161 CO 0.00 0.05 0.14 -1.01 0.00 0.00 0.00 175.76 174.94 1b8j s HIS 162 N -2.20 0.61 0.10 0.00 0.09 -1.25 -3.93 115.29 108.71 1b8j s HIS 162 Ca 0.07 -1.14 0.02 0.00 -0.00 0.00 0.00 55.06 54.01 1b8j s HIS 162 Cb -0.04 -1.04 -0.04 0.00 -0.00 0.00 0.00 32.58 31.45 1b8j s HIS 162 CO 0.02 -0.84 -0.07 0.14 -0.00 0.00 0.00 174.74 173.99 1b8j s VAL 163 N 1.85 0.72 -0.90 -0.90 -7.23 -0.46 -4.97 120.40 108.51 1b8j s VAL 163 Ca 0.11 -1.92 0.27 0.00 -1.81 0.00 0.00 61.98 58.63 1b8j s VAL 163 Cb -0.17 -1.67 0.21 0.00 0.56 0.00 0.00 36.38 35.31 1b8j s VAL 163 CO -0.29 -0.85 1.78 0.35 -0.31 0.00 0.00 175.10 175.78 1b8j n THR 164 N -0.01 0.19 -3.77 5.32 -2.24 -1.26 -2.14 114.28 110.36 1b8j n THR 164 Ca -0.12 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1b8j n THR 164 Cb 0.61 -0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 1b8j n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1b8j s SER 165 N -3.50 -0.07 0.33 3.42 0.15 -1.26 -4.35 113.70 108.42 1b8j s SER 165 Ca 0.12 0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.23 1b8j s SER 165 Cb 0.17 0.13 1.18 0.00 -1.71 0.00 0.00 66.02 65.78 1b8j s SER 165 CO 0.58 -0.13 1.73 0.08 1.20 0.00 0.00 173.24 176.71 1b8j h ARG 166 N 7.07 0.00 0.00 5.44 0.11 -0.97 -2.29 114.38 123.74 1b8j h ARG 166 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1b8j h ARG 166 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1b8j h ARG 166 CO 0.44 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.14 1b8j n LYS 167 N -2.33 0.21 -1.27 0.08 5.02 -1.26 -4.40 118.16 114.21 1b8j n LYS 167 Ca -0.00 0.38 -0.36 0.00 -2.02 0.00 0.00 58.31 56.31 1b8j n LYS 167 Cb 0.12 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.24 1b8j n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8j h TYR 169 N 5.75 -0.97 -2.62 0.00 -1.99 -1.88 -0.65 116.97 114.61 1b8j h TYR 169 Ca 0.69 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.41 1b8j h TYR 169 Cb 0.37 0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1b8j h TYR 169 CO 1.75 -0.54 0.00 0.41 -0.00 0.00 0.00 178.16 179.78 1b8j n GLY 170 N -1.49 4.08 0.31 3.88 0.00 -1.26 -1.78 105.19 108.93 1b8j n GLY 170 Ca -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 1b8j n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b8j h PRO 171 N 0.00 -0.13 -0.60 1.61 0.11 -1.90 -0.84 132.00 130.24 1b8j h PRO 171 Ca 0.00 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1b8j h PRO 171 Cb 0.00 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1b8j h PRO 171 CO 0.00 -0.09 0.16 0.66 -0.21 0.00 0.00 178.00 178.52 1b8j h SER 172 N -0.14 0.90 0.87 -2.05 4.64 -1.97 -0.50 113.55 115.30 1b8j h SER 172 Ca 0.23 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1b8j h SER 172 Cb 0.51 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1b8j h SER 172 CO -0.62 0.89 -0.53 0.00 -0.87 0.00 0.00 176.83 175.71 1b8j h ALA 173 N 1.05 0.88 -0.27 5.18 0.00 -1.85 -3.14 119.26 121.11 1b8j h ALA 173 Ca 0.19 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1b8j h ALA 173 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1b8j h ALA 173 CO -0.00 0.66 -0.47 1.15 0.00 0.00 0.00 179.25 180.59 1b8j h THR 174 N 0.00 1.29 -0.87 0.00 2.02 -0.53 0.30 112.91 115.12 1b8j h THR 174 Ca -0.01 -1.66 0.08 0.00 0.77 0.00 0.00 66.41 65.59 1b8j h THR 174 Cb 1.11 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 69.11 1b8j h THR 174 CO 0.07 0.54 0.53 0.28 0.37 0.00 0.00 175.52 177.31 1b8j h SER 175 N 0.56 0.81 0.55 4.18 0.02 -1.11 0.23 113.55 118.79 1b8j h SER 175 Ca 0.02 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.71 1b8j h SER 175 Cb 1.07 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1b8j h SER 175 CO 0.11 0.50 -1.60 1.05 -1.14 0.00 0.00 176.83 175.75 1b8j h GLU 176 N 0.94 0.03 0.00 3.45 4.11 -1.47 -3.35 114.58 118.29 1b8j h GLU 176 Ca 0.39 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 59.62 1b8j h GLU 176 Cb 0.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1b8j h GLU 176 CO -0.20 0.65 -1.96 1.63 0.07 0.00 0.00 179.01 179.20 1b8j n LYS 177 N -3.14 1.00 -3.17 1.06 5.02 0.11 -4.67 118.16 114.36 1b8j n LYS 177 Ca -0.15 -0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 55.83 1b8j n LYS 177 Cb 1.03 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.58 1b8j n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8j h PRO 179 N 3.48 0.45 0.00 0.00 0.11 -1.67 0.45 132.00 134.81 1b8j h PRO 179 Ca 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1b8j h PRO 179 Cb 0.77 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1b8j h PRO 179 CO 0.64 0.30 0.00 0.78 -0.21 0.00 0.00 178.00 179.50 1b8j h GLY 180 N 0.46 0.00 0.00 -0.55 0.00 -1.92 -2.41 103.07 98.65 1b8j h GLY 180 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1b8j h GLY 180 CO -0.43 0.00 -1.49 0.70 0.00 0.00 0.00 176.54 175.32 1b8j n ASN 181 N -2.63 0.86 -4.67 0.19 4.13 0.15 -4.09 115.26 109.20 1b8j n ASN 181 Ca -0.00 -0.30 -0.45 0.00 1.68 0.00 0.00 54.58 55.50 1b8j n ASN 181 Cb 0.16 1.55 -0.03 0.00 -1.54 0.00 0.00 39.78 39.91 1b8j n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1b8j n ALA 182 N -1.89 1.36 -0.29 5.41 0.00 -0.56 0.25 120.51 124.79 1b8j n ALA 182 Ca -0.01 0.43 -0.04 0.00 0.00 0.00 0.00 53.44 53.82 1b8j n ALA 182 Cb 0.40 -2.33 0.07 0.00 0.00 0.00 0.00 19.45 17.59 1b8j n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1b8j h LEU 183 N 5.26 0.91 0.00 0.00 5.85 -1.89 -0.03 115.31 125.41 1b8j h LEU 183 Ca -0.45 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1b8j h LEU 183 Cb 1.26 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1b8j h LEU 183 CO 0.84 0.67 0.00 -1.84 -0.34 0.00 0.00 178.44 177.76 1b8j n GLU 184 N -4.53 0.28 -0.24 1.25 0.00 -1.26 -1.65 120.64 114.50 1b8j n GLU 184 Ca 0.08 0.11 0.07 0.00 0.00 0.00 0.00 57.16 57.42 1b8j n GLU 184 Cb 0.02 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.17 1b8j n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1b8j n LYS 185 N -1.26 2.85 -0.45 3.44 4.01 -0.65 -4.95 118.16 121.15 1b8j n LYS 185 Ca 0.09 -2.25 0.00 0.00 -0.51 0.00 0.00 58.31 55.64 1b8j n LYS 185 Cb 0.14 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1b8j n LYS 185 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b8j n GLY 186 N 0.82 0.73 3.77 0.72 0.00 -0.66 -4.94 105.19 105.63 1b8j n GLY 186 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1b8j n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8j n GLY 187 N -2.06 -1.66 0.23 -0.02 0.00 -0.12 -4.97 105.19 96.60 1b8j n GLY 187 Ca 0.00 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.45 1b8j n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b8j h LYS 188 N 0.00 0.00 0.00 1.61 1.57 -1.79 -3.38 116.57 114.58 1b8j h LYS 188 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1b8j h LYS 188 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1b8j h LYS 188 CO 0.30 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 179.73 1b8j n GLY 189 N 0.44 2.10 3.71 3.86 0.00 0.14 -4.60 105.19 110.84 1b8j n GLY 189 Ca 0.01 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 1b8j n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8j s SER 190 N 0.00 2.57 0.18 1.61 1.04 -1.26 -4.70 113.70 113.14 1b8j s SER 190 Ca 0.00 0.96 -0.14 0.00 0.48 0.00 0.00 55.95 57.25 1b8j s SER 190 Cb 0.00 -1.49 0.17 0.00 0.10 0.00 0.00 66.02 64.80 1b8j s SER 190 CO 0.00 -3.14 1.70 0.40 0.98 0.00 0.00 173.24 173.18 1b8j h ILE 191 N -1.90 0.69 -0.66 -1.02 2.04 -1.11 -1.07 117.51 114.47 1b8j h ILE 191 Ca -0.51 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1b8j h ILE 191 Cb 1.32 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1b8j h ILE 191 CO 0.54 0.03 0.18 0.74 0.00 0.00 0.00 178.15 179.64 1b8j h THR 192 N 0.17 1.25 -0.44 -0.27 2.02 -1.60 -0.37 112.91 113.68 1b8j h THR 192 Ca 0.24 -0.90 -0.10 0.00 0.77 0.00 0.00 66.41 66.42 1b8j h THR 192 Cb 0.33 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1b8j h THR 192 CO -0.35 0.35 -0.10 -0.33 0.37 0.00 0.00 175.52 175.46 1b8j h GLU 193 N 0.99 0.85 -0.28 6.66 5.08 -1.69 -1.83 114.58 124.35 1b8j h GLU 193 Ca 0.21 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1b8j h GLU 193 Cb 0.33 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1b8j h GLU 193 CO -0.00 0.96 -0.16 1.96 -1.00 0.00 0.00 179.01 180.76 1b8j h GLN 194 N 0.68 0.49 -0.45 2.33 4.20 -1.04 -0.76 115.11 120.55 1b8j h GLN 194 Ca 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1b8j h GLN 194 Cb 0.64 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1b8j h GLN 194 CO 0.04 0.64 0.23 1.25 -0.67 0.00 0.00 178.83 180.32 1b8j h LEU 195 N 0.45 0.59 -1.16 1.46 6.46 -0.95 0.12 115.31 122.27 1b8j h LEU 195 Ca 0.08 -0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1b8j h LEU 195 Cb 0.54 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1b8j h LEU 195 CO 0.03 0.54 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.29 1b8j h LEU 196 N 0.59 0.52 -0.41 2.25 3.38 -0.64 -2.85 115.31 118.15 1b8j h LEU 196 Ca 0.16 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1b8j h LEU 196 Cb 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1b8j h LEU 196 CO -0.02 0.61 -0.72 0.78 0.09 0.00 0.00 178.44 179.18 1b8j h ASN 197 N 0.52 0.48 -0.30 -0.43 2.35 -0.43 -3.24 115.58 114.52 1b8j h ASN 197 Ca 0.11 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1b8j h ASN 197 Cb 0.39 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1b8j h ASN 197 CO 0.02 1.05 0.17 0.00 -1.65 0.00 0.00 177.43 177.01 1b8j h ALA 198 N 0.94 1.68 -6.38 -0.83 0.00 -0.56 -3.47 119.26 110.64 1b8j h ALA 198 Ca -0.03 -0.06 -0.47 0.00 0.00 0.00 0.00 54.91 54.35 1b8j h ALA 198 Cb 1.30 -0.14 0.06 0.00 0.00 0.00 0.00 17.79 19.01 1b8j h ALA 198 CO 0.12 0.27 -0.95 -2.13 0.00 0.00 0.00 179.25 176.56 1b8j n ARG 199 N -4.44 -1.09 -1.40 0.00 0.63 -1.12 -4.97 116.66 104.28 1b8j n ARG 199 Ca 0.02 0.37 -0.32 0.00 -0.92 0.00 0.00 57.85 57.00 1b8j n ARG 199 Cb 0.10 -3.81 0.09 0.00 0.45 0.00 0.00 32.46 29.29 1b8j n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b8j s ALA 200 N -3.50 2.20 0.29 5.13 0.00 -1.26 -4.95 121.76 119.68 1b8j s ALA 200 Ca 0.46 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1b8j s ALA 200 Cb -0.19 -3.35 0.44 0.00 0.00 0.00 0.00 23.12 20.03 1b8j s ALA 200 CO 0.89 -1.74 1.74 -0.44 0.00 0.00 0.00 175.76 176.20 1b8j h ASP 201 N -0.66 0.46 -3.27 0.00 3.32 -1.70 -3.42 116.42 111.15 1b8j h ASP 201 Ca -0.45 -0.15 -0.41 0.00 0.02 0.00 0.00 57.03 56.04 1b8j h ASP 201 Cb 1.25 -0.12 -0.39 0.00 0.22 0.00 0.00 39.33 40.29 1b8j h ASP 201 CO 0.51 0.70 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.28 1b8j s VAL 202 N -4.52 0.11 -0.07 -1.35 1.01 -0.98 -0.67 120.40 113.94 1b8j s VAL 202 Ca -0.07 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1b8j s VAL 202 Cb 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.17 1b8j s VAL 202 CO 0.79 0.17 -0.12 -0.89 0.00 0.00 0.00 175.10 175.05 1b8j s THR 203 N 2.08 1.10 -0.06 3.92 2.01 -0.49 -0.56 115.64 123.65 1b8j s THR 203 Ca 0.05 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1b8j s THR 203 Cb -0.13 -1.02 0.04 0.00 0.01 0.00 0.00 72.50 71.41 1b8j s THR 203 CO -0.04 0.35 0.12 -0.76 -0.69 0.00 0.00 174.62 173.60 1b8j s LEU 204 N 0.73 0.83 0.00 4.42 1.43 -0.52 -0.82 118.68 124.75 1b8j s LEU 204 Ca -0.13 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1b8j s LEU 204 Cb -0.16 0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.35 1b8j s LEU 204 CO 0.03 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1b8j n GLY 205 N 4.14 -0.62 0.00 -3.19 0.00 -0.72 -0.96 105.19 103.83 1b8j n GLY 205 Ca -0.26 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1b8j n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8j n GLY 206 N 0.00 2.90 0.85 -0.02 0.00 -0.42 -1.06 105.19 107.45 1b8j n GLY 206 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1b8j n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8j n GLY 207 N 5.00 1.14 0.21 -0.02 0.00 -0.34 -0.92 105.19 110.25 1b8j n GLY 207 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1b8j n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8j h ALA 208 N 0.00 0.92 -0.22 4.61 0.00 -1.20 -3.29 119.26 120.08 1b8j h ALA 208 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1b8j h ALA 208 Cb 0.47 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1b8j h ALA 208 CO 0.00 0.26 -0.08 -0.22 0.00 0.00 0.00 179.25 179.21 1b8j h LYS 209 N 0.00 -0.04 0.00 0.00 3.64 -1.72 -2.02 116.57 116.44 1b8j h LYS 209 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1b8j h LYS 209 Cb 0.94 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1b8j h LYS 209 CO 0.03 -0.03 -0.12 1.15 -2.27 0.00 0.00 179.45 178.21 1b8j h THR 210 N -0.04 1.07 0.00 1.00 2.02 -1.82 -1.46 112.91 113.68 1b8j h THR 210 Ca 0.11 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1b8j h THR 210 Cb 0.21 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1b8j h THR 210 CO -0.25 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.24 1b8j n PHE 211 N -4.39 0.00 0.44 3.16 3.01 -0.76 -0.93 117.46 118.00 1b8j n PHE 211 Ca -0.03 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 1b8j n PHE 211 Cb 0.19 -0.22 0.25 0.00 -0.01 0.00 0.00 39.48 39.69 1b8j n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b8j h ALA 212 N 2.47 0.88 -2.45 4.37 0.00 -1.31 -2.02 119.26 121.20 1b8j h ALA 212 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1b8j h ALA 212 Cb 0.07 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.97 1b8j h ALA 212 CO 0.00 0.00 0.36 -1.21 0.00 0.00 0.00 179.25 178.40 1b8j s GLU 213 N -3.17 2.58 -0.04 0.00 2.02 -0.11 -4.76 118.70 115.22 1b8j s GLU 213 Ca 0.08 1.40 0.01 0.00 0.02 0.00 0.00 54.97 56.47 1b8j s GLU 213 Cb 0.10 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 1b8j s GLU 213 CO 0.66 -1.42 -0.02 0.95 0.02 0.00 0.00 175.26 175.44 1b8j s THR 214 N -2.40 4.03 0.37 3.63 -4.23 -1.26 -0.69 115.64 115.08 1b8j s THR 214 Ca 0.67 -0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 60.41 1b8j s THR 214 Cb -0.21 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.81 1b8j s THR 214 CO 0.45 0.49 1.25 0.00 -0.54 0.00 0.00 174.62 176.27 1b8j s ALA 215 N -0.96 3.32 -0.51 3.99 0.00 -0.91 -4.83 121.76 121.86 1b8j s ALA 215 Ca 0.16 1.14 0.24 0.00 0.00 0.00 0.00 51.96 53.49 1b8j s ALA 215 Cb -0.11 -3.44 0.28 0.00 0.00 0.00 0.00 23.12 19.85 1b8j s ALA 215 CO 0.06 -0.62 1.31 1.79 0.00 0.00 0.00 175.76 178.30 1b8j h THR 216 N 2.68 0.00 -2.17 0.00 1.35 -1.93 0.11 112.91 112.95 1b8j h THR 216 Ca -0.49 -0.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 1b8j h THR 216 Cb 1.23 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1b8j h THR 216 CO 0.64 0.00 0.02 0.00 -0.25 0.00 0.00 175.52 175.93 1b8j n ALA 217 N -1.95 -0.17 -0.06 6.62 0.00 -1.26 -4.85 120.51 118.83 1b8j n ALA 217 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1b8j n ALA 217 Cb 0.48 0.14 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 1b8j n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8j n GLY 218 N -0.07 -1.32 0.29 0.00 0.00 -1.26 -2.96 105.19 99.88 1b8j n GLY 218 Ca -0.01 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.60 1b8j n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b8j h GLU 219 N -0.06 0.00 -0.43 1.61 4.81 -2.02 -1.45 114.58 117.04 1b8j h GLU 219 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1b8j h GLU 219 Cb 0.06 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.31 1b8j h GLU 219 CO 0.00 0.00 0.00 0.91 -0.73 0.00 0.00 179.01 179.19 1b8j n TRP 220 N -4.44 1.33 -1.66 0.92 8.01 -1.26 -5.03 117.44 115.31 1b8j n TRP 220 Ca -0.00 -1.63 -0.38 0.00 -1.31 0.00 0.00 57.50 54.18 1b8j n TRP 220 Cb 0.20 -0.55 0.05 0.00 -2.01 0.00 0.00 31.31 29.01 1b8j n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1b8j n GLN 221 N -1.12 1.07 0.00 -0.99 7.27 -0.55 -2.43 117.38 120.63 1b8j n GLN 221 Ca 0.36 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.84 1b8j n GLN 221 Cb 1.11 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 31.46 1b8j n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b8j n GLY 222 N 1.13 2.87 3.88 1.69 0.00 0.03 -4.89 105.19 109.89 1b8j n GLY 222 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1b8j n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8j s LYS 223 N -0.02 3.03 0.75 1.61 -2.85 -1.02 -4.81 119.74 116.43 1b8j s LYS 223 Ca 0.00 -1.03 -0.12 0.00 -1.00 0.00 0.00 55.97 53.83 1b8j s LYS 223 Cb 0.00 -2.65 0.05 0.00 -2.06 0.00 0.00 37.83 33.17 1b8j s LYS 223 CO 0.00 0.32 1.10 0.95 0.10 0.00 0.00 175.35 177.82 1b8j s THR 224 N -2.13 3.17 0.38 3.79 -4.23 -1.26 -2.14 115.64 113.21 1b8j s THR 224 Ca 0.36 0.43 0.26 0.00 -1.18 0.00 0.00 61.69 61.55 1b8j s THR 224 Cb -0.08 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.14 1b8j s THR 224 CO 0.27 -0.45 2.03 -0.07 -0.54 0.00 0.00 174.62 175.85 1b8j h LEU 225 N -0.85 0.00 -0.03 4.79 3.38 -0.73 0.33 115.31 122.21 1b8j h LEU 225 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1b8j h LEU 225 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1b8j h LEU 225 CO 0.51 0.15 -0.01 -0.09 0.09 0.00 0.00 178.44 179.09 1b8j h ARG 226 N 0.00 0.06 -0.62 1.13 2.43 -1.63 0.54 114.38 116.28 1b8j h ARG 226 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1b8j h ARG 226 Cb 0.40 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1b8j h ARG 226 CO 0.02 0.45 0.40 0.93 -1.51 0.00 0.00 179.97 180.26 1b8j h GLU 227 N -0.35 0.78 -0.54 0.20 5.08 -1.34 -1.19 114.58 117.22 1b8j h GLU 227 Ca 0.01 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1b8j h GLU 227 Cb 0.44 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1b8j h GLU 227 CO 0.00 0.52 0.31 0.37 -1.00 0.00 0.00 179.01 179.21 1b8j h GLN 228 N 0.81 0.59 -0.43 2.33 4.15 -0.19 0.58 115.11 122.95 1b8j h GLN 228 Ca 0.24 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.69 1b8j h GLN 228 Cb -0.05 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.45 1b8j h GLN 228 CO -0.07 0.39 0.08 0.00 -1.93 0.00 0.00 178.83 177.31 1b8j h ALA 229 N 1.25 0.47 -0.13 3.38 0.00 0.24 -0.38 119.26 124.09 1b8j h ALA 229 Ca 0.22 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1b8j h ALA 229 Cb 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1b8j h ALA 229 CO -0.11 -0.32 -0.41 -0.56 0.00 0.00 0.00 179.25 177.85 1b8j h GLN 230 N 0.21 0.28 -0.25 0.00 3.07 -0.78 -2.36 115.11 115.29 1b8j h GLN 230 Ca 0.21 -0.13 -0.05 0.00 0.09 0.00 0.00 58.65 58.77 1b8j h GLN 230 Cb 0.26 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.81 1b8j h GLN 230 CO -0.28 0.65 -0.04 0.00 0.09 0.00 0.00 178.83 179.25 1b8j h ALA 231 N 1.34 1.46 -0.23 0.06 0.00 0.10 -2.28 119.26 119.72 1b8j h ALA 231 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1b8j h ALA 231 Cb 0.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1b8j h ALA 231 CO 0.07 0.38 0.00 0.54 0.00 0.00 0.00 179.25 180.24 1b8j n ARG 232 N -4.29 1.70 -0.61 0.00 1.74 -0.25 -4.92 116.66 110.03 1b8j n ARG 232 Ca 0.00 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 1b8j n ARG 232 Cb 0.24 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1b8j n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b8j n GLY 233 N 1.06 0.65 3.79 -0.13 0.00 -0.86 -4.98 105.19 104.73 1b8j n GLY 233 Ca 0.14 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1b8j n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b8j s TYR 234 N -2.00 3.24 -0.35 1.61 1.51 -0.91 -4.00 117.35 116.45 1b8j s TYR 234 Ca 0.00 1.63 -0.18 0.00 -1.01 0.00 0.00 57.07 57.51 1b8j s TYR 234 Cb 0.00 -3.05 -0.00 0.00 -0.11 0.00 0.00 41.96 38.80 1b8j s TYR 234 CO 0.00 -0.52 0.52 -0.65 -1.11 0.00 0.00 175.55 173.79 1b8j s GLN 235 N -2.76 3.63 -0.07 -0.62 -0.21 0.84 -4.62 119.66 115.85 1b8j s GLN 235 Ca 0.60 -0.14 -0.16 0.00 0.02 0.00 0.00 55.36 55.68 1b8j s GLN 235 Cb -0.18 -3.81 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 1b8j s GLN 235 CO 0.23 -0.65 0.42 -0.51 -2.12 0.00 0.00 175.29 172.66 1b8j s LEU 236 N 2.42 4.36 0.02 2.90 1.02 -1.26 -0.76 118.68 127.38 1b8j s LEU 236 Ca 0.19 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.20 1b8j s LEU 236 Cb -0.15 -2.60 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 1b8j s LEU 236 CO 0.13 0.16 -0.06 -0.69 0.02 0.00 0.00 176.35 175.92 1b8j s VAL 237 N -0.18 0.39 0.00 -1.59 1.01 -0.74 -4.98 120.40 114.31 1b8j s VAL 237 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1b8j s VAL 237 Cb -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1b8j s VAL 237 CO 0.11 -0.22 0.58 -1.54 0.00 0.00 0.00 175.10 174.03 1b8j n SER 238 N 2.06 0.00 -3.55 3.32 3.41 -1.26 -1.49 113.62 116.11 1b8j n SER 238 Ca -0.19 -1.17 -0.11 0.00 -0.26 0.00 0.00 58.87 57.14 1b8j n SER 238 Cb 0.56 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1b8j n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1b8j s ASP 239 N -0.17 0.25 0.31 4.04 1.47 -1.26 -4.60 116.67 116.72 1b8j s ASP 239 Ca 0.00 -1.14 0.10 0.00 1.18 0.00 0.00 52.55 52.69 1b8j s ASP 239 Cb 0.00 0.67 0.51 0.00 -0.34 0.00 0.00 42.92 43.76 1b8j s ASP 239 CO 0.00 -1.30 1.71 0.00 0.68 0.00 0.00 175.17 176.26 1b8j h ALA 240 N 2.15 1.16 0.44 2.11 0.00 -1.06 -2.12 119.26 121.93 1b8j h ALA 240 Ca -0.28 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1b8j h ALA 240 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b8j h ALA 240 CO 0.37 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 180.03 1b8j h ALA 241 N 1.47 -0.59 -0.48 0.00 0.00 -1.89 -1.53 119.26 116.24 1b8j h ALA 241 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1b8j h ALA 241 Cb 0.87 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1b8j h ALA 241 CO 0.07 -0.77 0.11 0.77 0.00 0.00 0.00 179.25 179.42 1b8j h SER 242 N -0.69 0.03 -0.55 0.00 0.02 -1.96 -1.37 113.55 109.03 1b8j h SER 242 Ca -0.06 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1b8j h SER 242 Cb 0.50 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.09 1b8j h SER 242 CO 0.10 0.05 0.23 0.25 -1.14 0.00 0.00 176.83 176.31 1b8j h LEU 243 N 0.25 0.26 -1.43 5.07 5.85 -1.27 -1.70 115.31 122.34 1b8j h LEU 243 Ca 0.24 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1b8j h LEU 243 Cb 0.30 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1b8j h LEU 243 CO -0.30 0.17 -0.25 0.78 -0.34 0.00 0.00 178.44 178.50 1b8j h ASN 244 N 0.42 0.04 0.42 1.25 2.35 -0.25 -2.75 115.58 117.07 1b8j h ASN 244 Ca 0.27 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1b8j h ASN 244 Cb 0.27 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1b8j h ASN 244 CO -0.25 0.30 -0.09 0.28 -1.65 0.00 0.00 177.43 176.03 1b8j h SER 245 N 0.04 0.00 -2.94 5.81 0.02 -0.34 -3.44 113.55 112.70 1b8j h SER 245 Ca 0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1b8j h SER 245 Cb 0.48 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.03 1b8j h SER 245 CO 0.03 0.09 0.78 -0.69 -1.14 0.00 0.00 176.83 175.90 1b8j s VAL 246 N -4.11 3.34 -0.21 2.27 1.01 -1.04 -4.92 120.40 116.74 1b8j s VAL 246 Ca -0.02 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1b8j s VAL 246 Cb 0.12 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 1b8j s VAL 246 CO 0.56 0.05 0.21 0.35 0.00 0.00 0.00 175.10 176.26 1b8j n THR 247 N 4.18 0.00 -3.69 3.92 -2.24 -1.26 -5.01 114.28 110.18 1b8j n THR 247 Ca 0.12 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1b8j n THR 247 Cb 0.42 0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 1b8j n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1b8j s GLU 248 N -1.63 0.70 -0.06 -0.78 -1.05 -1.26 -4.97 118.70 109.64 1b8j s GLU 248 Ca 0.01 0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 55.12 1b8j s GLU 248 Cb 0.04 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 34.10 1b8j s GLU 248 CO 0.22 -0.16 0.13 0.00 0.95 0.00 0.00 175.26 176.40 1b8j s ALA 249 N -0.54 -0.10 0.13 -0.84 0.00 -1.26 -4.91 121.76 114.24 1b8j s ALA 249 Ca -0.07 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1b8j s ALA 249 Cb -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1b8j s ALA 249 CO 0.04 -0.39 0.23 0.27 0.00 0.00 0.00 175.76 175.90 1b8j n ASN 250 N 4.90 -0.65 0.29 0.00 0.23 -0.79 -4.88 115.26 114.36 1b8j n ASN 250 Ca -0.13 -1.58 0.16 0.00 -0.53 0.00 0.00 54.58 52.50 1b8j n ASN 250 Cb 0.50 1.12 0.87 0.00 -2.08 0.00 0.00 39.78 40.19 1b8j n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1b8j h GLN 251 N 0.00 0.00 0.21 -3.83 1.08 -1.93 0.89 115.11 111.53 1b8j h GLN 251 Ca -0.10 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.79 1b8j h GLN 251 Cb 0.41 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1b8j h GLN 251 CO 0.14 0.06 -1.41 1.96 -0.95 0.00 0.00 178.83 178.62 1b8j h GLN 252 N 0.00 0.44 -2.39 1.46 7.50 -1.95 -3.39 115.11 116.78 1b8j h GLN 252 Ca -0.00 -0.75 -0.59 0.00 0.50 0.00 0.00 58.65 57.80 1b8j h GLN 252 Cb 0.21 0.28 -0.41 0.00 0.05 0.00 0.00 27.48 27.62 1b8j h GLN 252 CO 0.01 1.36 -0.77 1.63 -1.50 0.00 0.00 178.83 179.56 1b8j n LYS 253 N -3.79 1.55 -2.28 1.46 4.01 -0.98 -4.80 118.16 113.33 1b8j n LYS 253 Ca -0.19 -4.04 -0.36 0.00 -0.51 0.00 0.00 58.31 53.21 1b8j n LYS 253 Cb 1.03 -1.92 -0.01 0.00 -0.51 0.00 0.00 35.03 33.62 1b8j n LYS 253 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1b8j s PRO 254 N -1.52 3.55 -0.16 1.97 0.04 0.27 -1.88 135.00 137.26 1b8j s PRO 254 Ca 0.34 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1b8j s PRO 254 Cb 0.09 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1b8j s PRO 254 CO -0.10 -0.70 0.14 -1.17 0.04 0.00 0.00 177.00 175.21 1b8j s LEU 255 N -3.47 4.30 -0.18 -3.56 2.96 0.16 -0.11 118.68 118.77 1b8j s LEU 255 Ca 0.69 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1b8j s LEU 255 Cb -0.25 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.40 1b8j s LEU 255 CO 0.29 0.29 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.37 1b8j s LEU 256 N -0.30 1.64 -0.27 -0.68 2.96 0.06 -1.39 118.68 120.69 1b8j s LEU 256 Ca 0.12 -0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1b8j s LEU 256 Cb -0.12 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1b8j s LEU 256 CO 0.01 -0.23 0.09 -0.83 -1.32 0.00 0.00 176.35 174.06 1b8j s GLY 257 N 1.67 1.79 -0.50 7.98 0.00 -0.00 -1.78 107.32 116.47 1b8j s GLY 257 Ca -0.01 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 1b8j s GLY 257 CO -0.07 0.60 0.29 1.08 0.00 0.00 0.00 173.10 175.00 1b8j s LEU 258 N 1.58 5.14 0.00 0.66 1.43 -0.55 -1.76 118.68 125.18 1b8j s LEU 258 Ca 0.05 -2.44 0.25 0.00 -1.03 0.00 0.00 54.13 50.97 1b8j s LEU 258 Cb -0.16 -1.81 0.71 0.00 0.03 0.00 0.00 46.19 44.96 1b8j s LEU 258 CO 0.04 -0.44 1.55 0.49 0.23 0.00 0.00 176.35 178.21 1b8j n PHE 259 N 4.02 0.07 -3.66 0.29 3.72 -0.22 -4.47 117.46 117.21 1b8j n PHE 259 Ca 0.03 -0.03 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 1b8j n PHE 259 Cb 0.39 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 1b8j n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b8j s ALA 260 N -1.93 -1.63 0.03 4.37 0.00 -1.26 -4.95 121.76 116.38 1b8j s ALA 260 Ca 0.34 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 1b8j s ALA 260 Cb 0.20 0.64 -0.22 0.00 0.00 0.00 0.00 23.12 23.74 1b8j s ALA 260 CO 0.31 -0.91 1.14 -0.44 0.00 0.00 0.00 175.76 175.86 1b8j h ASP 261 N 2.00 0.63 0.00 0.00 5.19 -1.94 -2.30 116.42 120.00 1b8j h ASP 261 Ca -0.24 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.43 1b8j h ASP 261 Cb 1.25 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1b8j h ASP 261 CO 0.28 1.28 0.00 0.61 -3.12 0.00 0.00 179.24 178.30 1b8j n GLY 262 N 1.01 1.78 3.80 2.75 0.00 -1.26 -2.36 105.19 110.92 1b8j n GLY 262 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1b8j n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b8j s ASN 263 N 0.68 6.68 0.76 1.61 0.01 -1.26 -1.20 114.94 122.21 1b8j s ASN 263 Ca 0.00 1.89 -0.13 0.00 -0.71 0.00 0.00 52.86 53.91 1b8j s ASN 263 Cb 0.00 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 39.15 1b8j s ASN 263 CO 0.00 -0.54 1.15 -0.04 -1.51 0.00 0.00 177.10 176.15 1b8j s MET 264 N -2.92 2.12 0.53 -0.60 -1.94 -0.16 -4.88 119.30 111.44 1b8j s MET 264 Ca 0.62 1.50 -0.22 0.00 -1.71 0.00 0.00 55.69 55.88 1b8j s MET 264 Cb -0.16 -1.86 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 1b8j s MET 264 CO 0.21 -1.80 1.31 -1.25 -0.01 0.00 0.00 175.02 173.48 1b8j s PRO 265 N -4.31 3.25 0.49 2.03 0.04 -1.26 -4.96 135.00 130.29 1b8j s PRO 265 Ca 0.68 2.11 -0.19 0.00 0.04 0.00 0.00 61.00 63.64 1b8j s PRO 265 Cb -0.23 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1b8j s PRO 265 CO 0.49 -1.06 1.01 0.14 0.04 0.00 0.00 177.00 177.62 1b8j s VAL 266 N -1.37 4.03 0.12 -0.36 -7.23 -1.26 -4.98 120.40 109.35 1b8j s VAL 266 Ca 0.70 1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 61.93 1b8j s VAL 266 Cb -0.37 -3.51 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 1b8j s VAL 266 CO 0.44 -0.34 1.49 -0.09 -0.31 0.00 0.00 175.10 176.29 1b8j h ARG 267 N 1.45 0.74 -6.23 4.82 2.43 -1.89 -3.42 114.38 112.28 1b8j h ARG 267 Ca -0.49 -0.32 -0.59 0.00 -0.81 0.00 0.00 59.98 57.77 1b8j h ARG 267 Cb 1.21 -0.02 -0.24 0.00 -0.42 0.00 0.00 29.97 30.49 1b8j h ARG 267 CO 0.60 0.94 -0.84 -1.58 -1.51 0.00 0.00 179.97 177.57 1b8j s TRP 268 N -4.62 1.88 0.23 2.20 0.51 -1.26 -0.33 118.94 117.55 1b8j s TRP 268 Ca -0.12 -0.39 0.08 0.00 -2.12 0.00 0.00 56.10 53.54 1b8j s TRP 268 Cb 0.10 -1.08 -0.04 0.00 -0.81 0.00 0.00 33.47 31.64 1b8j s TRP 268 CO 0.82 0.16 0.10 -0.51 -0.51 0.00 0.00 176.95 177.00 1b8j s LEU 269 N -1.52 3.54 0.00 2.99 1.43 0.97 -3.72 118.68 122.37 1b8j s LEU 269 Ca 0.08 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1b8j s LEU 269 Cb -0.09 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1b8j s LEU 269 CO 0.03 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1b8j n GLY 270 N -0.82 0.77 3.76 -3.19 0.00 -1.26 -1.72 105.19 102.73 1b8j n GLY 270 Ca -0.08 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1b8j n GLY 270 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8j s PRO 271 N -2.00 2.01 0.50 1.61 0.04 -1.26 -4.88 135.00 131.01 1b8j s PRO 271 Ca 0.00 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.93 1b8j s PRO 271 Cb 0.00 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 1b8j s PRO 271 CO 0.00 -1.79 1.01 0.21 0.04 0.00 0.00 177.00 176.47 1b8j s LYS 272 N -4.91 3.85 0.74 4.56 2.20 -1.26 -4.60 119.74 120.32 1b8j s LYS 272 Ca 0.62 1.20 -0.13 0.00 -0.36 0.00 0.00 55.97 57.29 1b8j s LYS 272 Cb -0.17 -2.11 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 1b8j s LYS 272 CO 0.56 -0.36 1.14 0.00 -0.36 0.00 0.00 175.35 176.33 1b8j s ALA 273 N -2.23 2.19 0.19 3.13 0.00 0.56 -5.00 121.76 120.59 1b8j s ALA 273 Ca 0.64 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 1b8j s ALA 273 Cb -0.13 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1b8j s ALA 273 CO 0.23 -1.75 0.18 0.95 0.00 0.00 0.00 175.76 175.37 1b8j s THR 274 N -2.38 0.03 0.12 0.00 -4.23 -0.68 -4.73 115.64 103.76 1b8j s THR 274 Ca 0.68 -1.84 -0.31 0.00 -1.18 0.00 0.00 61.69 59.04 1b8j s THR 274 Cb -0.23 -2.30 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 1b8j s THR 274 CO 0.48 -0.12 1.65 -0.47 -0.54 0.00 0.00 174.62 175.61 1b8j s TYR 275 N -4.10 2.66 -1.77 3.99 5.04 -1.26 -0.37 117.35 121.54 1b8j s TYR 275 Ca 0.32 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1b8j s TYR 275 Cb 0.06 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1b8j s TYR 275 CO 0.08 -3.86 0.00 0.72 -1.34 0.00 0.00 175.55 171.15 1b8j n HIS 276 N 4.89 -0.67 0.30 4.97 8.25 -1.26 -4.87 115.22 126.83 1b8j n HIS 276 Ca 0.15 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.78 1b8j n HIS 276 Cb 0.39 -3.48 0.93 0.00 1.12 0.00 0.00 29.99 28.95 1b8j n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1b8j h GLY 277 N 0.00 0.00 2.00 -1.41 0.00 -1.56 0.25 103.07 102.34 1b8j h GLY 277 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1b8j h GLY 277 CO 0.54 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.53 1b8j h ASN 278 N 0.00 0.00 0.00 0.19 -1.07 -1.84 -2.86 115.58 110.00 1b8j h ASN 278 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 1b8j h ASN 278 Cb 0.15 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.35 1b8j h ASN 278 CO 0.00 0.00 -2.09 2.30 0.07 0.00 0.00 177.43 177.72 1b8j n ILE 279 N -2.65 1.07 0.10 6.14 -5.35 -0.71 -4.66 119.36 113.30 1b8j n ILE 279 Ca 0.05 -0.33 -0.04 0.00 -0.27 0.00 0.00 62.75 62.16 1b8j n ILE 279 Cb 0.47 -1.53 0.13 0.00 -1.74 0.00 0.00 39.64 36.97 1b8j n ILE 279 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1b8j h ASP 280 N -0.44 0.20 -2.21 7.28 3.32 -0.71 -3.46 116.42 120.41 1b8j h ASP 280 Ca -0.47 -0.12 -0.56 0.00 0.02 0.00 0.00 57.03 55.91 1b8j h ASP 280 Cb 1.52 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.91 1b8j h ASP 280 CO -0.21 0.76 -0.65 -0.54 -1.72 0.00 0.00 179.24 176.88 1b8j s LYS 281 N -3.72 2.28 0.65 3.56 1.02 -1.08 -5.04 119.74 117.41 1b8j s LYS 281 Ca -0.03 -1.42 -0.13 0.00 0.02 0.00 0.00 55.97 54.40 1b8j s LYS 281 Cb 0.12 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1b8j s LYS 281 CO 0.79 0.36 1.07 -1.25 -0.92 0.00 0.00 175.35 175.40 1b8j s PRO 282 N -3.66 3.02 0.48 -1.68 0.04 -1.26 -4.70 135.00 127.24 1b8j s PRO 282 Ca 0.31 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 1b8j s PRO 282 Cb -0.06 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1b8j s PRO 282 CO 0.20 -1.04 1.25 0.00 0.04 0.00 0.00 177.00 177.45 1b8j s ALA 283 N -2.69 2.96 -0.11 8.56 0.00 -1.26 -4.74 121.76 124.48 1b8j s ALA 283 Ca 0.62 1.12 -0.07 0.00 0.00 0.00 0.00 51.96 53.62 1b8j s ALA 283 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1b8j s ALA 283 CO 0.45 -0.94 0.16 0.08 0.00 0.00 0.00 175.76 175.52 1b8j s VAL 284 N -1.42 5.47 -0.15 0.00 1.01 0.47 -4.84 120.40 120.94 1b8j s VAL 284 Ca 0.65 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1b8j s VAL 284 Cb -0.34 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1b8j s VAL 284 CO 0.41 0.61 -0.15 -0.89 0.00 0.00 0.00 175.10 175.09 1b8j s THR 285 N -1.04 2.75 0.57 3.92 2.01 -1.26 -1.37 115.64 121.22 1b8j s THR 285 Ca 0.16 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1b8j s THR 285 Cb -0.12 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1b8j s THR 285 CO 0.05 0.51 1.12 0.00 -0.69 0.00 0.00 174.62 175.62 1b8j s THR 287 N -1.94 0.83 0.31 0.00 -1.32 -0.70 -4.97 115.64 107.86 1b8j s THR 287 Ca 0.71 -0.42 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 1b8j s THR 287 Cb -0.23 -0.72 -0.12 0.00 -1.51 0.00 0.00 72.50 69.92 1b8j s THR 287 CO 0.31 0.25 1.45 -2.65 -2.21 0.00 0.00 174.62 171.76 1b8j n PRO 288 N 3.07 2.38 -2.15 7.08 -0.02 -1.26 -0.02 135.00 144.07 1b8j n PRO 288 Ca -0.16 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1b8j n PRO 288 Cb 0.55 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1b8j n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1b8j s ASN 289 N 0.12 6.45 0.56 2.55 2.47 0.55 -4.64 114.94 122.99 1b8j s ASN 289 Ca 0.61 1.63 0.24 0.00 0.42 0.00 0.00 52.86 55.76 1b8j s ASN 289 Cb -0.55 -2.53 1.58 0.00 -1.45 0.00 0.00 41.25 38.30 1b8j s ASN 289 CO 0.55 -1.19 2.20 1.55 -3.72 0.00 0.00 177.10 176.49 1b8j h PRO 290 N 10.39 0.00 -0.77 0.43 0.13 -1.90 -2.55 132.00 137.74 1b8j h PRO 290 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1b8j h PRO 290 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1b8j h PRO 290 CO 1.00 0.00 0.09 0.00 -0.23 0.00 0.00 178.00 178.86 1b8j n GLN 291 N -4.14 3.35 0.20 0.86 10.64 -1.26 -4.11 117.38 122.92 1b8j n GLN 291 Ca -0.03 -2.16 0.13 0.00 -1.83 0.00 0.00 57.00 53.11 1b8j n GLN 291 Cb 0.10 -1.99 0.34 0.00 -0.86 0.00 0.00 30.24 27.83 1b8j n GLN 291 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1b8j h ARG 292 N 2.36 0.00 -2.98 2.61 0.11 -1.73 -3.47 114.38 111.28 1b8j h ARG 292 Ca 0.09 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.21 1b8j h ARG 292 Cb 1.68 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.74 1b8j h ARG 292 CO 0.43 0.00 -0.82 0.09 0.10 0.00 0.00 179.97 179.77 1b8j n ASN 293 N -2.86 -6.74 0.14 0.08 3.02 -1.26 -4.51 115.26 103.13 1b8j n ASN 293 Ca 0.04 1.47 0.07 0.00 -0.03 0.00 0.00 54.58 56.12 1b8j n ASN 293 Cb 0.45 -3.91 0.04 0.00 -0.61 0.00 0.00 39.78 35.75 1b8j n ASN 293 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1b8j h ASP 294 N -0.05 0.00 0.08 6.41 3.58 -1.95 -3.25 116.42 121.24 1b8j h ASP 294 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1b8j h ASP 294 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1b8j h ASP 294 CO 0.01 0.24 -0.35 -1.54 -2.88 0.00 0.00 179.24 174.72 1b8j n SER 295 N -3.00 1.67 -4.43 2.28 3.41 -1.26 -4.78 113.62 107.51 1b8j n SER 295 Ca 0.00 -1.30 -0.35 0.00 -0.26 0.00 0.00 58.87 56.96 1b8j n SER 295 Cb 0.65 0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.77 1b8j n SER 295 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1b8j s VAL 296 N -2.44 4.02 0.54 -3.33 1.01 -1.23 -0.44 120.40 118.53 1b8j s VAL 296 Ca 0.22 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 1b8j s VAL 296 Cb 0.19 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1b8j s VAL 296 CO 0.53 0.39 1.08 -2.16 0.00 0.00 0.00 175.10 174.94 1b8j s PRO 297 N 1.29 3.47 0.48 2.72 0.04 -1.26 -4.84 135.00 136.91 1b8j s PRO 297 Ca 0.04 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1b8j s PRO 297 Cb -0.15 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1b8j s PRO 297 CO 0.02 -0.71 0.73 0.95 0.04 0.00 0.00 177.00 178.02 1b8j s THR 298 N -2.04 3.93 0.36 1.26 -4.23 -1.26 -4.88 115.64 108.78 1b8j s THR 298 Ca 0.68 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1b8j s THR 298 Cb -0.19 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.49 1b8j s THR 298 CO 0.27 -0.38 1.88 0.25 -0.54 0.00 0.00 174.62 176.11 1b8j h LEU 299 N 0.26 0.64 -0.51 4.79 5.85 -1.96 0.25 115.31 124.63 1b8j h LEU 299 Ca -0.46 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.13 1b8j h LEU 299 Cb 1.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1b8j h LEU 299 CO 0.58 0.34 -0.53 0.00 -0.34 0.00 0.00 178.44 178.49 1b8j h ALA 300 N 1.60 0.69 -0.25 1.25 0.00 -1.89 0.41 119.26 121.06 1b8j h ALA 300 Ca 0.42 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1b8j h ALA 300 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1b8j h ALA 300 CO -0.19 0.68 0.01 1.96 0.00 0.00 0.00 179.25 181.72 1b8j h GLN 301 N 0.47 0.43 -0.35 0.00 4.20 -1.01 -0.15 115.11 118.70 1b8j h GLN 301 Ca 0.01 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1b8j h GLN 301 Cb 1.07 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1b8j h GLN 301 CO 0.10 0.59 0.20 0.52 -0.67 0.00 0.00 178.83 179.57 1b8j h MET 302 N 0.22 0.40 -0.76 1.46 2.86 -0.68 -1.74 114.93 116.69 1b8j h MET 302 Ca 0.07 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1b8j h MET 302 Cb 0.39 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1b8j h MET 302 CO 0.01 0.26 0.47 1.15 1.06 0.00 0.00 176.91 179.86 1b8j h THR 303 N 0.41 1.06 -0.27 2.22 2.02 -0.69 0.57 112.91 118.23 1b8j h THR 303 Ca 0.14 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1b8j h THR 303 Cb 0.00 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1b8j h THR 303 CO -0.06 0.16 0.07 0.44 0.37 0.00 0.00 175.52 176.50 1b8j h ASP 304 N 0.88 0.40 -0.57 4.18 3.32 -0.58 -1.00 116.42 123.05 1b8j h ASP 304 Ca 0.32 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1b8j h ASP 304 Cb 0.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1b8j h ASP 304 CO -0.14 0.52 -0.02 0.50 -1.72 0.00 0.00 179.24 178.38 1b8j h LYS 305 N 0.26 1.02 -0.33 3.56 1.63 -1.12 -0.44 116.57 121.15 1b8j h LYS 305 Ca 0.08 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 1b8j h LYS 305 Cb 0.27 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1b8j h LYS 305 CO -0.00 1.02 0.17 0.00 -3.45 0.00 0.00 179.45 177.19 1b8j h ALA 306 N 0.96 0.42 -0.75 5.00 0.00 -0.80 -1.48 119.26 122.62 1b8j h ALA 306 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1b8j h ALA 306 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1b8j h ALA 306 CO 0.03 -0.04 0.47 0.82 0.00 0.00 0.00 179.25 180.53 1b8j h ILE 307 N 0.40 1.21 0.27 0.00 2.04 -1.01 -0.02 117.51 120.40 1b8j h ILE 307 Ca 0.11 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1b8j h ILE 307 Cb 0.08 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1b8j h ILE 307 CO -0.02 0.21 -0.17 -0.08 0.00 0.00 0.00 178.15 178.09 1b8j h GLU 308 N 1.02 -0.42 -0.52 2.37 4.81 -0.58 -1.28 114.58 119.97 1b8j h GLU 308 Ca 0.27 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1b8j h GLU 308 Cb -0.06 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1b8j h GLU 308 CO -0.05 -0.28 0.26 -0.07 -0.73 0.00 0.00 179.01 178.14 1b8j h LEU 309 N -0.43 0.68 -0.56 1.64 3.38 -1.06 -3.07 115.31 115.88 1b8j h LEU 309 Ca -0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1b8j h LEU 309 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1b8j h LEU 309 CO 0.02 0.61 -0.17 -0.07 0.09 0.00 0.00 178.44 178.93 1b8j h LEU 310 N 0.70 0.00 -0.03 1.67 3.38 -0.95 -3.11 115.31 116.97 1b8j h LEU 310 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1b8j h LEU 310 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1b8j h LEU 310 CO -0.02 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 1b8j n SER 311 N -3.20 0.10 0.25 -0.43 3.41 -0.49 -3.13 113.62 110.14 1b8j n SER 311 Ca 0.02 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1b8j n SER 311 Cb 0.51 -0.54 0.61 0.00 -0.26 0.00 0.00 64.21 64.53 1b8j n SER 311 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1b8j h LYS 312 N 0.00 0.00 -6.45 4.33 1.57 -1.61 -3.41 116.57 111.00 1b8j h LYS 312 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1b8j h LYS 312 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1b8j h LYS 312 CO 0.00 0.14 1.12 1.21 -0.57 0.00 0.00 179.45 181.35 1b8j s ASN 313 N -6.03 6.25 0.62 0.86 3.84 -1.18 -4.88 114.94 114.42 1b8j s ASN 313 Ca -0.00 1.00 0.41 0.00 0.21 0.00 0.00 52.86 54.47 1b8j s ASN 313 Cb 0.11 -2.54 2.13 0.00 -0.55 0.00 0.00 41.25 40.40 1b8j s ASN 313 CO 0.59 -1.47 2.24 -0.33 -2.79 0.00 0.00 177.10 175.35 1b8j h GLU 314 N 11.13 0.00 -0.01 0.43 4.39 -1.90 -2.47 114.58 126.15 1b8j h GLU 314 Ca -0.29 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.27 1b8j h GLU 314 Cb 1.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1b8j h GLU 314 CO 1.07 0.00 -0.66 -0.22 -1.16 0.00 0.00 179.01 178.03 1b8j h LYS 315 N 0.00 0.03 0.00 2.33 1.63 -1.89 -3.50 116.57 115.17 1b8j h LYS 315 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1b8j h LYS 315 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1b8j h LYS 315 CO 0.00 0.68 0.00 0.41 -3.45 0.00 0.00 179.45 177.09 1b8j n GLY 316 N 0.37 1.26 3.33 5.01 0.00 -0.93 -4.92 105.19 109.30 1b8j n GLY 316 Ca -0.01 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 1b8j n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8j s PHE 317 N -1.21 -0.26 -0.05 1.61 -0.12 -1.22 -1.59 117.98 115.15 1b8j s PHE 317 Ca 0.00 0.09 0.06 0.00 -0.05 0.00 0.00 56.93 57.03 1b8j s PHE 317 Cb 0.00 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 1b8j s PHE 317 CO 0.00 -0.65 -0.23 0.12 -0.05 0.00 0.00 175.22 174.42 1b8j s PHE 318 N -3.13 2.20 -0.02 3.49 2.19 -0.35 -1.53 117.98 120.83 1b8j s PHE 318 Ca -0.01 -0.63 -0.00 0.00 0.33 0.00 0.00 56.93 56.61 1b8j s PHE 318 Cb 0.00 -1.45 0.03 0.00 -1.31 0.00 0.00 43.02 40.29 1b8j s PHE 318 CO -0.07 -0.19 0.04 -1.17 1.83 0.00 0.00 175.22 175.67 1b8j s LEU 319 N -0.14 1.14 -0.05 6.12 2.96 -0.46 -1.55 118.68 126.70 1b8j s LEU 319 Ca -0.03 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 1b8j s LEU 319 Cb -0.13 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 1b8j s LEU 319 CO 0.03 -0.12 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.14 1b8j s GLN 320 N 0.95 2.47 -0.07 1.98 0.74 -0.85 -0.96 119.66 123.91 1b8j s GLN 320 Ca -0.08 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.50 1b8j s GLN 320 Cb -0.11 -2.21 0.01 0.00 1.10 0.00 0.00 33.01 31.81 1b8j s GLN 320 CO -0.03 0.47 -0.12 0.08 -0.55 0.00 0.00 175.29 175.15 1b8j s VAL 321 N -0.38 1.14 -0.17 1.34 1.01 0.92 -1.05 120.40 123.20 1b8j s VAL 321 Ca 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1b8j s VAL 321 Cb -0.12 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1b8j s VAL 321 CO 0.02 0.36 -0.18 -0.70 0.00 0.00 0.00 175.10 174.59 1b8j s GLU 322 N 0.79 3.07 -0.82 2.72 2.12 0.52 -0.97 118.70 126.12 1b8j s GLU 322 Ca -0.12 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.20 1b8j s GLU 322 Cb -0.15 -2.59 0.10 0.00 0.26 0.00 0.00 34.13 31.75 1b8j s GLU 322 CO 0.02 -0.13 1.06 0.20 -0.54 0.00 0.00 175.26 175.87 1b8j s GLY 323 N 1.14 1.69 0.14 -1.50 0.00 -0.10 -2.70 107.32 105.98 1b8j s GLY 323 Ca 0.01 -2.38 -0.05 0.00 0.00 0.00 0.00 44.72 42.30 1b8j s GLY 323 CO -0.08 2.04 1.35 0.00 0.00 0.00 0.00 173.10 176.41 1b8j h ALA 324 N 9.16 0.44 0.00 3.20 0.00 -1.90 -2.57 119.26 127.59 1b8j h ALA 324 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1b8j h ALA 324 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1b8j h ALA 324 CO 1.15 0.77 0.00 0.43 0.00 0.00 0.00 179.25 181.60 1b8j n SER 325 N -3.82 0.00 0.09 0.00 7.64 -1.26 -3.61 113.62 112.66 1b8j n SER 325 Ca -0.06 -0.65 -0.12 0.00 1.01 0.00 0.00 58.87 59.05 1b8j n SER 325 Cb 0.77 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.81 1b8j n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1b8j h ILE 326 N 0.00 0.78 -0.40 0.44 2.04 -1.76 0.17 117.51 118.78 1b8j h ILE 326 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1b8j h ILE 326 Cb 0.08 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1b8j h ILE 326 CO 0.00 0.00 0.20 -0.78 0.00 0.00 0.00 178.15 177.57 1b8j h ASP 327 N -0.21 0.52 -0.77 1.72 1.82 -0.97 -0.46 116.42 118.06 1b8j h ASP 327 Ca 0.01 -0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 1b8j h ASP 327 Cb 0.21 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 1b8j h ASP 327 CO -0.03 0.49 0.32 0.11 -1.61 0.00 0.00 179.24 178.52 1b8j h LYS 328 N 0.52 1.15 0.00 0.28 1.57 -1.61 -1.12 116.57 117.36 1b8j h LYS 328 Ca 0.14 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1b8j h LYS 328 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1b8j h LYS 328 CO -0.02 0.93 -0.74 1.96 -0.57 0.00 0.00 179.45 181.01 1b8j h GLN 329 N 1.13 0.00 -0.52 3.15 1.08 -0.73 -2.21 115.11 117.01 1b8j h GLN 329 Ca 0.26 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1b8j h GLN 329 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1b8j h GLN 329 CO -0.02 0.74 0.15 0.22 -0.95 0.00 0.00 178.83 178.96 1b8j h ASP 330 N 0.00 0.77 -0.55 1.46 1.82 -0.79 -1.24 116.42 117.90 1b8j h ASP 330 Ca -0.01 -0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.39 1b8j h ASP 330 Cb 1.33 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.11 1b8j h ASP 330 CO 0.10 0.78 0.23 0.45 -1.61 0.00 0.00 179.24 179.19 1b8j h HIS 331 N 0.71 0.81 0.00 0.28 3.86 -0.98 -1.98 115.15 117.86 1b8j h HIS 331 Ca 0.17 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1b8j h HIS 331 Cb 0.30 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1b8j h HIS 331 CO 0.02 0.65 0.00 0.00 0.86 0.00 0.00 177.93 179.46 1b8j n ALA 332 N -2.34 1.76 -3.58 2.45 0.00 -0.85 -1.40 120.51 116.55 1b8j n ALA 332 Ca 0.03 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1b8j n ALA 332 Cb 0.15 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.45 1b8j n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8j n ALA 333 N -1.32 -1.67 -3.92 0.00 0.00 -0.75 -4.73 120.51 108.12 1b8j n ALA 333 Ca 0.06 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 1b8j n ALA 333 Cb 0.12 -3.80 -0.15 0.00 0.00 0.00 0.00 19.45 15.62 1b8j n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1b8j s ASN 334 N -3.85 4.41 0.15 0.00 3.84 -0.54 -0.32 114.94 118.63 1b8j s ASN 334 Ca 0.30 -2.37 -0.19 0.00 0.21 0.00 0.00 52.86 50.81 1b8j s ASN 334 Cb -0.14 -1.45 0.04 0.00 -0.55 0.00 0.00 41.25 39.15 1b8j s ASN 334 CO 0.75 -0.33 1.68 -0.65 -2.79 0.00 0.00 177.10 175.76 1b8j h PRO 335 N 7.28 -0.02 -0.51 0.43 0.11 -1.83 -1.65 132.00 135.80 1b8j h PRO 335 Ca -0.06 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.08 1b8j h PRO 335 Cb 0.97 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1b8j h PRO 335 CO 0.55 -0.01 0.29 0.00 -0.21 0.00 0.00 178.00 178.62 1b8j h GLY 337 N 0.57 0.14 0.67 0.00 0.00 -1.59 0.12 103.07 102.97 1b8j h GLY 337 Ca 0.21 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1b8j h GLY 337 CO -0.12 0.06 0.24 -1.61 0.00 0.00 0.00 176.54 175.12 1b8j h GLN 338 N 0.04 0.45 -0.32 4.80 4.15 -1.06 -1.17 115.11 122.00 1b8j h GLN 338 Ca 0.03 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1b8j h GLN 338 Cb 0.09 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1b8j h GLN 338 CO -0.00 0.30 -0.39 0.82 -1.93 0.00 0.00 178.83 177.62 1b8j h ILE 339 N 0.47 1.28 -0.70 2.39 2.04 -0.61 -2.72 117.51 119.66 1b8j h ILE 339 Ca 0.23 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.55 1b8j h ILE 339 Cb 0.17 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1b8j h ILE 339 CO -0.18 0.51 0.46 1.23 0.00 0.00 0.00 178.15 180.17 1b8j h GLY 340 N 0.61 0.97 2.00 5.37 0.00 -0.34 -0.54 103.07 111.15 1b8j h GLY 340 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1b8j h GLY 340 CO 0.09 0.30 -0.36 0.83 0.00 0.00 0.00 176.54 177.41 1b8j h GLU 341 N 0.87 0.00 -0.05 4.80 4.39 -1.09 -0.98 114.58 122.51 1b8j h GLU 341 Ca 0.28 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.75 1b8j h GLU 341 Cb 0.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1b8j h GLU 341 CO -0.08 0.36 -0.88 1.15 -1.16 0.00 0.00 179.01 178.40 1b8j h THR 342 N 0.00 1.33 -0.36 1.13 2.02 -0.84 -2.49 112.91 113.71 1b8j h THR 342 Ca -0.00 -2.21 -0.04 0.00 0.77 0.00 0.00 66.41 64.93 1b8j h THR 342 Cb 0.82 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1b8j h THR 342 CO 0.05 0.68 0.09 0.58 0.37 0.00 0.00 175.52 177.28 1b8j h VAL 343 N 0.36 1.22 -0.67 3.16 2.07 -0.85 -1.65 116.25 119.89 1b8j h VAL 343 Ca -0.08 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.77 1b8j h VAL 343 Cb 1.51 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 1b8j h VAL 343 CO 0.17 0.26 0.33 -0.78 0.02 0.00 0.00 177.57 177.57 1b8j h ASP 344 N 0.44 0.44 -0.39 0.57 3.58 -1.21 -1.91 116.42 117.95 1b8j h ASP 344 Ca 0.11 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 1b8j h ASP 344 Cb 0.30 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1b8j h ASP 344 CO 0.00 0.26 -0.23 0.25 -2.88 0.00 0.00 179.24 176.65 1b8j h LEU 345 N 0.59 0.92 -0.80 2.28 5.85 -1.22 -2.42 115.31 120.51 1b8j h LEU 345 Ca 0.33 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1b8j h LEU 345 Cb 0.32 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1b8j h LEU 345 CO -0.25 1.11 0.47 -0.78 -0.34 0.00 0.00 178.44 178.65 1b8j h ASP 346 N 0.78 0.72 -0.99 1.25 3.58 -0.66 0.20 116.42 121.29 1b8j h ASP 346 Ca 0.10 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.59 1b8j h ASP 346 Cb 0.78 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.67 1b8j h ASP 346 CO 0.06 0.45 0.64 -0.33 -2.88 0.00 0.00 179.24 177.18 1b8j h GLU 347 N 0.85 1.31 -0.50 0.28 5.08 -0.89 -0.93 114.58 119.78 1b8j h GLU 347 Ca 0.36 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1b8j h GLU 347 Cb 0.23 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1b8j h GLU 347 CO -0.20 0.88 -0.19 0.00 -1.00 0.00 0.00 179.01 178.51 1b8j h ALA 348 N 1.36 0.70 -0.58 3.43 0.00 -0.75 -2.29 119.26 121.13 1b8j h ALA 348 Ca 0.36 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1b8j h ALA 348 Cb -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1b8j h ALA 348 CO -0.08 0.68 0.20 0.28 0.00 0.00 0.00 179.25 180.33 1b8j h VAL 349 N 0.88 1.22 -0.72 0.00 2.07 -0.37 -2.13 116.25 117.21 1b8j h VAL 349 Ca 0.12 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1b8j h VAL 349 Cb 0.77 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1b8j h VAL 349 CO 0.06 0.28 0.48 1.56 0.02 0.00 0.00 177.57 179.97 1b8j h GLN 350 N 0.85 0.95 -0.63 1.57 4.20 -0.65 -1.08 115.11 120.31 1b8j h GLN 350 Ca 0.20 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1b8j h GLN 350 Cb 0.22 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1b8j h GLN 350 CO -0.01 0.63 0.15 0.00 -0.67 0.00 0.00 178.83 178.93 1b8j h ARG 351 N 0.98 1.00 -0.17 1.46 2.47 -0.90 -1.47 114.38 117.74 1b8j h ARG 351 Ca 0.26 -0.23 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1b8j h ARG 351 Cb -0.11 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 1b8j h ARG 351 CO -0.06 0.89 -0.31 0.00 0.56 0.00 0.00 179.97 181.06 1b8j h ALA 352 N 1.20 1.16 -0.04 0.04 0.00 -1.13 -2.90 119.26 117.60 1b8j h ALA 352 Ca 0.20 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1b8j h ALA 352 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b8j h ALA 352 CO 0.00 0.54 -0.88 -0.07 0.00 0.00 0.00 179.25 178.84 1b8j h LEU 353 N 0.29 0.60 -0.19 0.00 3.38 -0.82 -1.58 115.31 117.00 1b8j h LEU 353 Ca 0.04 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1b8j h LEU 353 Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1b8j h LEU 353 CO 0.05 1.24 0.08 -0.33 0.09 0.00 0.00 178.44 179.57 1b8j h GLU 354 N 0.29 0.18 -0.27 1.13 3.07 -1.16 0.11 114.58 117.93 1b8j h GLU 354 Ca -0.07 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1b8j h GLU 354 Cb 1.51 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 1b8j h GLU 354 CO 0.16 0.12 0.16 0.35 -1.40 0.00 0.00 179.01 178.40 1b8j h PHE 355 N 0.18 0.35 -0.25 4.33 3.57 -1.50 -2.10 116.94 121.52 1b8j h PHE 355 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1b8j h PHE 355 Cb 0.03 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1b8j h PHE 355 CO -0.10 0.27 0.10 0.00 -2.23 0.00 0.00 178.31 176.34 1b8j h ALA 356 N 1.06 0.33 -0.71 2.41 0.00 -1.06 0.25 119.26 121.53 1b8j h ALA 356 Ca 0.10 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1b8j h ALA 356 Cb 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1b8j h ALA 356 CO -0.02 -0.07 0.37 0.87 0.00 0.00 0.00 179.25 180.40 1b8j h LYS 357 N 0.25 0.61 0.06 0.00 1.57 -0.52 -1.01 116.57 117.54 1b8j h LYS 357 Ca 0.08 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.57 1b8j h LYS 357 Cb 0.19 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1b8j h LYS 357 CO -0.01 0.41 -1.10 1.57 -0.57 0.00 0.00 179.45 179.75 1b8j h LYS 358 N 0.63 0.44 -0.24 3.15 2.10 -1.00 -3.33 116.57 118.32 1b8j h LYS 358 Ca 0.35 -0.56 -0.13 0.00 -2.00 0.00 0.00 60.65 58.31 1b8j h LYS 358 Cb 0.33 0.18 -0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1b8j h LYS 358 CO -0.25 1.21 -0.35 1.49 -2.00 0.00 0.00 179.45 179.55 1b8j h GLU 359 N 0.21 0.66 0.00 0.07 4.22 -0.36 -3.48 114.58 115.90 1b8j h GLU 359 Ca -0.12 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1b8j h GLU 359 Cb 1.77 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1b8j h GLU 359 CO 0.19 1.00 0.00 0.41 -2.18 0.00 0.00 179.01 178.44 1b8j n GLY 360 N 0.30 1.92 2.04 1.92 0.00 -0.40 -4.83 105.19 106.13 1b8j n GLY 360 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1b8j n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b8j n ASN 361 N 0.00 2.39 -4.26 1.61 3.02 -1.26 -4.82 115.26 111.94 1b8j n ASN 361 Ca 0.00 -2.75 -0.33 0.00 -0.03 0.00 0.00 54.58 51.48 1b8j n ASN 361 Cb 0.00 -0.41 -0.16 0.00 -0.61 0.00 0.00 39.78 38.60 1b8j n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1b8j s THR 362 N -3.18 2.45 -0.22 3.41 2.01 -1.26 -0.60 115.64 118.25 1b8j s THR 362 Ca 0.36 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1b8j s THR 362 Cb 0.37 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1b8j s THR 362 CO -0.05 0.54 0.47 -0.22 -0.69 0.00 0.00 174.62 174.67 1b8j s LEU 363 N 0.57 4.12 -0.12 4.42 2.96 -0.79 -4.25 118.68 125.59 1b8j s LEU 363 Ca -0.11 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1b8j s LEU 363 Cb -0.16 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 1b8j s LEU 363 CO 0.04 -0.17 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.12 1b8j s VAL 364 N 1.70 3.48 -0.03 1.68 1.01 0.08 -0.93 120.40 127.38 1b8j s VAL 364 Ca 0.21 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1b8j s VAL 364 Cb -0.15 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1b8j s VAL 364 CO 0.09 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 1b8j s ILE 365 N -0.02 1.35 -0.10 2.22 1.01 -0.13 -0.86 121.20 124.67 1b8j s ILE 365 Ca -0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1b8j s ILE 365 Cb -0.14 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1b8j s ILE 365 CO 0.03 0.39 -0.07 -0.69 0.00 0.00 0.00 174.94 174.60 1b8j s VAL 366 N -0.09 0.97 0.01 2.92 1.01 -0.08 -0.64 120.40 124.49 1b8j s VAL 366 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1b8j s VAL 366 Cb -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1b8j s VAL 366 CO 0.01 0.35 0.01 1.07 0.00 0.00 0.00 175.10 176.54 1b8j n THR 367 N 4.77 0.00 -4.40 3.92 5.66 -0.63 -2.19 114.28 121.41 1b8j n THR 367 Ca -0.14 -0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.64 1b8j n THR 367 Cb 0.50 0.02 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 1b8j n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b8j s ALA 368 N -1.06 2.19 0.09 1.79 0.00 -1.26 -0.08 121.76 123.43 1b8j s ALA 368 Ca 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 51.96 50.05 1b8j s ALA 368 Cb -0.00 0.28 -0.23 0.00 0.00 0.00 0.00 23.12 23.17 1b8j s ALA 368 CO 0.00 -0.13 1.18 0.38 0.00 0.00 0.00 175.76 177.20 1b8j h ASP 369 N 2.33 0.45 -5.12 0.00 2.03 -1.93 -3.48 116.42 110.70 1b8j h ASP 369 Ca -0.39 -0.45 0.08 0.00 -0.73 0.00 0.00 57.03 55.54 1b8j h ASP 369 Cb 1.23 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.55 1b8j h ASP 369 CO 0.67 1.32 0.34 -1.38 -1.03 0.00 0.00 179.24 179.15 1b8j s HIS 370 N -2.80 -0.06 0.66 4.15 -3.43 -1.26 -4.86 115.29 107.69 1b8j s HIS 370 Ca -0.04 -0.42 -0.03 0.00 -0.80 0.00 0.00 55.06 53.77 1b8j s HIS 370 Cb 0.07 0.73 0.07 0.00 -1.43 0.00 0.00 32.58 32.03 1b8j s HIS 370 CO 0.88 -1.21 0.93 0.00 -2.00 0.00 0.00 174.74 173.34 1b8j s ALA 371 N -3.12 3.54 0.00 -1.38 0.00 -1.20 -3.67 121.76 115.93 1b8j s ALA 371 Ca 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1b8j s ALA 371 Cb -0.04 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1b8j s ALA 371 CO 0.07 -1.17 0.00 1.58 0.00 0.00 0.00 175.76 176.24 1b8j n HIS 372 N -2.71 0.00 0.11 0.00 -0.00 -1.25 -2.16 115.22 109.21 1b8j n HIS 372 Ca 0.10 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.04 1b8j n HIS 372 Cb 0.60 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.32 1b8j n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1b8j h ALA 373 N 1.00 -0.02 -2.00 1.57 0.00 -1.85 -3.38 119.26 114.58 1b8j h ALA 373 Ca 0.00 -0.97 -0.63 0.00 0.00 0.00 0.00 54.91 53.31 1b8j h ALA 373 Cb 0.00 0.30 0.07 0.00 0.00 0.00 0.00 17.79 18.16 1b8j h ALA 373 CO 0.00 0.81 0.53 -1.13 0.00 0.00 0.00 179.25 179.46 1b8j n SER 374 N -3.71 2.20 -4.16 0.00 3.41 -1.26 -4.73 113.62 105.37 1b8j n SER 374 Ca -0.20 1.12 -0.22 0.00 -0.26 0.00 0.00 58.87 59.31 1b8j n SER 374 Cb 1.07 -1.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.57 1b8j n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1b8j s GLN 375 N 0.18 1.10 -0.39 4.33 -0.21 0.62 -4.77 119.66 120.52 1b8j s GLN 375 Ca 0.76 -0.74 -0.21 0.00 0.02 0.00 0.00 55.36 55.20 1b8j s GLN 375 Cb -0.79 -1.12 0.01 0.00 1.00 0.00 0.00 33.01 32.11 1b8j s GLN 375 CO 0.46 0.29 0.67 0.42 -2.12 0.00 0.00 175.29 175.01 1b8j s ILE 376 N -0.70 4.83 0.42 1.08 1.01 -1.26 0.04 121.20 126.62 1b8j s ILE 376 Ca 0.04 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.25 1b8j s ILE 376 Cb -0.07 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1b8j s ILE 376 CO 0.01 -0.43 0.07 0.68 0.00 0.00 0.00 174.94 175.26 1b8j s VAL 377 N 2.84 2.01 0.66 2.92 -7.23 -0.45 -4.99 120.40 116.15 1b8j s VAL 377 Ca 0.25 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 1b8j s VAL 377 Cb -0.14 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 1b8j s VAL 377 CO 0.17 0.00 1.29 0.00 -0.31 0.00 0.00 175.10 176.25 1b8j s ALA 378 N -2.69 2.35 0.55 1.32 0.00 -1.26 -3.81 121.76 118.21 1b8j s ALA 378 Ca 0.34 1.19 0.23 0.00 0.00 0.00 0.00 51.96 53.72 1b8j s ALA 378 Cb 0.07 -3.55 1.54 0.00 0.00 0.00 0.00 23.12 21.18 1b8j s ALA 378 CO 0.18 -1.63 2.20 -1.35 0.00 0.00 0.00 175.76 175.15 1b8j h PRO 379 N 0.46 0.00 -0.63 0.00 0.11 -1.93 -2.60 132.00 127.41 1b8j h PRO 379 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1b8j h PRO 379 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1b8j h PRO 379 CO 0.53 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1b8j n ASP 380 N -4.18 3.91 -4.71 -2.05 5.75 -1.26 -4.83 116.55 109.18 1b8j n ASP 380 Ca -0.03 -2.36 -0.42 0.00 -0.01 0.00 0.00 54.79 51.97 1b8j n ASP 380 Cb 0.09 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 1b8j n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1b8j s THR 381 N -1.80 2.57 -0.48 2.12 2.01 -0.98 -4.98 115.64 114.10 1b8j s THR 381 Ca 0.41 0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.70 1b8j s THR 381 Cb 0.26 -3.24 0.12 0.00 0.01 0.00 0.00 72.50 69.66 1b8j s THR 381 CO 0.19 0.02 0.33 -0.54 -0.69 0.00 0.00 174.62 173.94 1b8j s LYS 382 N 1.38 2.40 0.23 4.92 1.02 -1.26 -4.86 119.74 123.58 1b8j s LYS 382 Ca 0.72 -1.85 0.07 0.00 0.02 0.00 0.00 55.97 54.92 1b8j s LYS 382 Cb -0.44 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 1b8j s LYS 382 CO 0.32 -1.17 0.14 0.00 -0.92 0.00 0.00 175.35 173.71 1b8j s ALA 383 N 1.18 3.48 -0.78 5.17 0.00 -1.26 -5.02 121.76 124.54 1b8j s ALA 383 Ca 0.07 -1.41 0.24 0.00 0.00 0.00 0.00 51.96 50.86 1b8j s ALA 383 Cb -0.25 -1.20 0.92 0.00 0.00 0.00 0.00 23.12 22.59 1b8j s ALA 383 CO -0.02 0.32 1.74 -0.35 0.00 0.00 0.00 175.76 177.45 1b8j n PRO 384 N -0.88 0.14 0.00 0.00 -0.04 -1.26 -4.62 135.00 128.34 1b8j n PRO 384 Ca -0.08 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1b8j n PRO 384 Cb 0.57 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1b8j n PRO 384 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b8j n GLY 385 N 0.76 2.88 3.68 0.55 0.00 -1.26 -5.01 105.19 106.79 1b8j n GLY 385 Ca 0.05 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1b8j n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b8j s LEU 386 N 0.00 4.16 0.23 0.99 1.43 -0.41 -4.00 118.68 121.09 1b8j s LEU 386 Ca 0.00 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1b8j s LEU 386 Cb 0.00 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1b8j s LEU 386 CO 0.00 0.03 0.05 0.42 0.23 0.00 0.00 176.35 177.08 1b8j s THR 387 N 0.96 0.73 -0.27 5.49 -4.23 0.50 -0.95 115.64 117.87 1b8j s THR 387 Ca 0.13 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 1b8j s THR 387 Cb -0.14 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.34 1b8j s THR 387 CO 0.05 -0.20 0.76 -1.58 -0.54 0.00 0.00 174.62 173.11 1b8j s GLN 388 N -3.96 0.77 -0.14 3.99 0.74 -0.87 -1.69 119.66 118.50 1b8j s GLN 388 Ca 0.32 0.97 -0.10 0.00 0.05 0.00 0.00 55.36 56.60 1b8j s GLN 388 Cb 0.07 0.35 -0.05 0.00 1.10 0.00 0.00 33.01 34.48 1b8j s GLN 388 CO 0.10 -0.10 0.20 0.00 -0.55 0.00 0.00 175.29 174.94 1b8j s ALA 389 N 0.54 3.73 0.04 1.58 0.00 -1.26 -1.56 121.76 124.83 1b8j s ALA 389 Ca -0.01 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1b8j s ALA 389 Cb -0.05 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1b8j s ALA 389 CO -0.03 0.34 -0.22 -0.51 0.00 0.00 0.00 175.76 175.35 1b8j s LEU 390 N -0.26 2.16 -0.41 0.00 1.43 0.05 -0.40 118.68 121.26 1b8j s LEU 390 Ca 0.14 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 1b8j s LEU 390 Cb -0.12 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1b8j s LEU 390 CO 0.03 0.18 0.63 0.20 0.23 0.00 0.00 176.35 177.62 1b8j s ASN 391 N -1.15 6.35 0.78 2.29 0.02 -0.47 -1.22 114.94 121.55 1b8j s ASN 391 Ca 0.08 -0.16 -0.07 0.00 -1.02 0.00 0.00 52.86 51.69 1b8j s ASN 391 Cb -0.09 -2.32 0.13 0.00 0.02 0.00 0.00 41.25 38.99 1b8j s ASN 391 CO 0.02 -0.70 1.09 0.42 0.02 0.00 0.00 177.10 177.95 1b8j s THR 392 N 2.76 2.15 0.59 1.60 -4.23 -0.19 -4.84 115.64 113.48 1b8j s THR 392 Ca 0.23 -0.33 0.36 0.00 -1.18 0.00 0.00 61.69 60.77 1b8j s THR 392 Cb -0.14 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.27 1b8j s THR 392 CO 0.17 0.00 2.28 0.50 -0.54 0.00 0.00 174.62 177.04 1b8j h LYS 393 N -0.87 0.00 0.00 3.99 3.64 -1.46 -0.33 116.57 121.54 1b8j h LYS 393 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1b8j h LYS 393 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1b8j h LYS 393 CO 0.45 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.39 1b8j n ASP 394 N -3.45 0.00 0.00 4.20 8.00 -1.26 -4.87 116.55 119.16 1b8j n ASP 394 Ca -0.03 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1b8j n ASP 394 Cb 0.10 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1b8j n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8j n GLY 395 N 1.40 0.42 3.67 0.44 0.00 -0.13 -5.04 105.19 105.95 1b8j n GLY 395 Ca 0.10 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1b8j n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8j s ALA 396 N -2.00 3.36 -0.08 4.61 0.00 -1.26 -4.90 121.76 121.49 1b8j s ALA 396 Ca 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 51.96 49.73 1b8j s ALA 396 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1b8j s ALA 396 CO 0.00 -0.12 0.13 0.14 0.00 0.00 0.00 175.76 175.91 1b8j s VAL 397 N -2.64 5.30 -0.06 0.00 -7.23 -1.26 -1.02 120.40 113.49 1b8j s VAL 397 Ca 0.38 0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.62 1b8j s VAL 397 Cb 0.06 -3.35 -0.00 0.00 0.56 0.00 0.00 36.38 33.65 1b8j s VAL 397 CO 0.20 0.53 -0.20 -0.32 -0.31 0.00 0.00 175.10 175.01 1b8j s MET 398 N -1.27 2.27 -0.18 4.82 0.00 -0.35 -4.90 119.30 119.70 1b8j s MET 398 Ca 0.18 -0.72 -0.07 0.00 0.00 0.00 0.00 55.69 55.08 1b8j s MET 398 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 34.83 32.81 1b8j s MET 398 CO 0.08 0.23 0.06 0.08 0.00 0.00 0.00 175.02 175.46 1b8j s VAL 399 N 0.17 4.80 -0.10 10.11 1.01 -1.25 -0.77 120.40 134.37 1b8j s VAL 399 Ca -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1b8j s VAL 399 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1b8j s VAL 399 CO 0.05 0.47 -0.03 -0.04 0.00 0.00 0.00 175.10 175.54 1b8j s MET 400 N 0.30 3.13 0.03 2.72 -1.94 -0.60 -1.34 119.30 121.60 1b8j s MET 400 Ca 0.04 -0.49 0.07 0.00 -1.71 0.00 0.00 55.69 53.60 1b8j s MET 400 Cb -0.12 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 1b8j s MET 400 CO 0.00 0.54 -0.21 0.45 -0.01 0.00 0.00 175.02 175.79 1b8j s SER 401 N -0.46 2.53 -0.30 3.03 0.15 0.11 -2.05 113.70 116.71 1b8j s SER 401 Ca 0.08 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1b8j s SER 401 Cb -0.12 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.05 1b8j s SER 401 CO 0.02 0.19 0.06 -0.31 1.20 0.00 0.00 173.24 174.41 1b8j s TYR 402 N -0.72 2.16 -0.06 3.44 1.51 -0.12 -0.28 117.35 123.28 1b8j s TYR 402 Ca 0.08 -1.93 0.11 0.00 -1.01 0.00 0.00 57.07 54.32 1b8j s TYR 402 Cb -0.09 -1.89 0.19 0.00 -0.11 0.00 0.00 41.96 40.07 1b8j s TYR 402 CO 0.01 -0.86 1.09 0.41 -1.11 0.00 0.00 175.55 175.10 1b8j n GLY 403 N 4.72 2.32 1.25 0.71 0.00 -1.26 -1.29 105.19 111.64 1b8j n GLY 403 Ca -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1b8j n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b8j n ASN 404 N -0.46 4.43 -3.63 1.61 0.23 -1.26 -4.84 115.26 111.34 1b8j n ASN 404 Ca 0.07 -2.78 -0.05 0.00 -0.53 0.00 0.00 54.58 51.29 1b8j n ASN 404 Cb 0.75 -0.55 -0.07 0.00 -2.08 0.00 0.00 39.78 37.83 1b8j n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1b8j s SER 405 N -1.35 -0.82 0.00 0.53 0.15 -1.26 -4.55 113.70 106.40 1b8j s SER 405 Ca 0.45 1.29 0.27 0.00 0.70 0.00 0.00 55.95 58.66 1b8j s SER 405 Cb 0.33 1.41 0.95 0.00 -1.71 0.00 0.00 66.02 67.00 1b8j s SER 405 CO 0.14 -0.20 1.69 -0.62 1.20 0.00 0.00 173.24 175.46 1b8j n GLU 406 N 4.23 0.63 0.00 5.44 1.02 -1.26 -4.82 120.64 125.87 1b8j n GLU 406 Ca -0.19 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1b8j n GLU 406 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1b8j n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1b8j n GLU 407 N -0.93 1.97 -0.08 3.49 -0.58 -1.26 -5.00 120.64 118.25 1b8j n GLU 407 Ca 0.12 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 1b8j n GLU 407 Cb 0.32 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.05 1b8j n GLU 407 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1b8j n ASP 408 N 0.00 1.34 -4.80 1.62 8.00 -1.26 -4.91 116.55 116.54 1b8j n ASP 408 Ca 0.00 0.04 -0.37 0.00 0.71 0.00 0.00 54.79 55.17 1b8j n ASP 408 Cb 0.00 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1b8j n ASP 408 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1b8j s SER 409 N -6.30 6.66 0.38 -2.24 0.15 -1.26 -4.86 113.70 106.23 1b8j s SER 409 Ca -0.22 0.78 -0.23 0.00 0.70 0.00 0.00 55.95 56.98 1b8j s SER 409 Cb 0.08 -2.22 -0.10 0.00 -1.71 0.00 0.00 66.02 62.06 1b8j s SER 409 CO 0.73 0.24 0.96 -1.10 1.20 0.00 0.00 173.24 175.26 1b8j s GLN 410 N -0.48 4.36 0.30 5.44 -1.52 -0.50 -4.78 119.66 122.48 1b8j s GLN 410 Ca 0.21 1.25 0.04 0.00 -1.95 0.00 0.00 55.36 54.92 1b8j s GLN 410 Cb -0.15 -2.47 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 1b8j s GLN 410 CO 0.10 0.08 0.44 -1.21 -0.25 0.00 0.00 175.29 174.45 1b8j s GLU 411 N -2.64 3.35 0.85 2.91 2.02 -1.26 -4.51 118.70 119.42 1b8j s GLU 411 Ca 0.57 -0.71 -0.11 0.00 0.02 0.00 0.00 54.97 54.74 1b8j s GLU 411 Cb -0.15 -2.81 0.10 0.00 0.10 0.00 0.00 34.13 31.38 1b8j s GLU 411 CO 0.19 0.24 1.09 -1.01 0.02 0.00 0.00 175.26 175.80 1b8j s HIS 412 N -2.13 2.43 0.20 1.61 3.76 -1.26 -2.90 115.29 117.00 1b8j s HIS 412 Ca 0.39 1.35 0.03 0.00 -0.15 0.00 0.00 55.06 56.67 1b8j s HIS 412 Cb -0.09 -3.12 -0.05 0.00 1.11 0.00 0.00 32.58 30.43 1b8j s HIS 412 CO 0.31 -2.16 -0.00 0.95 -0.85 0.00 0.00 174.74 172.99 1b8j s THR 413 N -2.93 0.87 -2.10 1.30 -4.23 -0.92 -4.84 115.64 102.79 1b8j s THR 413 Ca 0.62 -2.01 0.22 0.00 -1.18 0.00 0.00 61.69 59.34 1b8j s THR 413 Cb -0.17 -2.24 0.57 0.00 1.34 0.00 0.00 72.50 71.99 1b8j s THR 413 CO 0.56 -0.39 1.49 0.61 -0.54 0.00 0.00 174.62 176.35 1b8j n GLY 414 N -0.34 2.07 3.77 3.99 0.00 -1.26 -3.24 105.19 110.18 1b8j n GLY 414 Ca -0.06 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1b8j n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b8j s SER 415 N -1.11 6.10 0.85 1.61 0.15 -1.26 -4.84 113.70 115.19 1b8j s SER 415 Ca 0.44 2.93 -0.12 0.00 0.70 0.00 0.00 55.95 59.90 1b8j s SER 415 Cb 0.23 -2.66 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 1b8j s SER 415 CO 0.31 -1.02 1.13 0.00 1.20 0.00 0.00 173.24 174.86 1b8j n GLN 416 N 0.08 -0.03 -4.12 5.44 10.64 -1.26 -4.43 117.38 123.70 1b8j n GLN 416 Ca 0.03 0.07 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 1b8j n GLN 416 Cb 0.41 -2.38 -0.07 0.00 -0.86 0.00 0.00 30.24 27.34 1b8j n GLN 416 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1b8j s LEU 417 N -5.60 0.93 0.41 2.61 0.05 -1.04 -4.89 118.68 111.14 1b8j s LEU 417 Ca 0.71 -1.32 -0.26 0.00 0.05 0.00 0.00 54.13 53.30 1b8j s LEU 417 Cb -0.27 1.12 -0.09 0.00 -2.05 0.00 0.00 46.19 44.89 1b8j s LEU 417 CO 0.54 -1.08 1.39 -0.60 -0.55 0.00 0.00 176.35 176.04 1b8j s ARG 418 N -3.73 3.93 -0.01 1.48 3.52 -1.26 -0.98 118.95 121.90 1b8j s ARG 418 Ca 0.32 2.35 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1b8j s ARG 418 Cb 0.02 -2.79 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1b8j s ARG 418 CO 0.15 -0.59 0.02 -1.50 -0.81 0.00 0.00 175.30 172.56 1b8j s ILE 419 N -1.20 -0.03 0.04 4.11 2.07 -0.53 -4.30 121.20 121.36 1b8j s ILE 419 Ca 0.57 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 1b8j s ILE 419 Cb -0.42 -0.06 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 1b8j s ILE 419 CO 0.55 0.05 -0.06 0.00 -1.91 0.00 0.00 174.94 173.58 1b8j s ALA 420 N 0.62 0.40 0.24 1.50 0.00 -0.93 -0.88 121.76 122.70 1b8j s ALA 420 Ca -0.05 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 1b8j s ALA 420 Cb -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1b8j s ALA 420 CO -0.02 -0.10 0.46 0.00 0.00 0.00 0.00 175.76 176.10 1b8j s ALA 421 N -1.63 -0.24 -0.10 0.00 0.00 0.29 -0.90 121.76 119.17 1b8j s ALA 421 Ca -0.11 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1b8j s ALA 421 Cb -0.09 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.11 1b8j s ALA 421 CO -0.01 -0.83 0.26 -0.47 0.00 0.00 0.00 175.76 174.71 1b8j s TYR 422 N -4.01 -0.30 0.00 0.00 5.04 -0.04 -3.07 117.35 114.97 1b8j s TYR 422 Ca 0.21 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1b8j s TYR 422 Cb -0.00 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1b8j s TYR 422 CO 0.08 -0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 1b8j n GLY 423 N 3.10 -1.17 3.69 8.97 0.00 -1.26 -0.74 105.19 117.77 1b8j n GLY 423 Ca -0.14 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.22 1b8j n GLY 423 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8j n PRO 424 N -0.28 2.28 -0.97 1.61 -0.04 -1.26 -2.16 135.00 134.18 1b8j n PRO 424 Ca 0.00 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1b8j n PRO 424 Cb 0.00 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1b8j n PRO 424 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1b8j n HIS 425 N 2.52 0.00 0.30 0.54 8.25 -0.61 -4.59 115.22 121.64 1b8j n HIS 425 Ca 0.13 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.77 1b8j n HIS 425 Cb 0.32 -0.26 0.85 0.00 1.12 0.00 0.00 29.99 32.02 1b8j n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b8j h ALA 426 N 0.00 1.00 -0.05 -1.41 0.00 -1.68 -2.20 119.26 114.92 1b8j h ALA 426 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1b8j h ALA 426 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1b8j h ALA 426 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.33 1b8j h ALA 427 N 2.01 1.47 0.00 0.00 0.00 -1.88 -2.35 119.26 118.51 1b8j h ALA 427 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b8j h ALA 427 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1b8j h ALA 427 CO 0.00 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1b8j n ASN 428 N -3.60 0.00 -0.06 0.00 3.02 -0.83 -2.47 115.26 111.33 1b8j n ASN 428 Ca -0.02 -0.98 0.08 0.00 -0.03 0.00 0.00 54.58 53.63 1b8j n ASN 428 Cb 0.16 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1b8j n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1b8j n VAL 429 N -0.85 0.00 -2.68 2.41 0.24 -0.88 -4.99 118.33 111.58 1b8j n VAL 429 Ca 0.13 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 1b8j n VAL 429 Cb 0.06 1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 33.41 1b8j n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1b8j s VAL 430 N -2.55 4.06 0.00 3.34 1.01 -1.03 -3.52 120.40 121.71 1b8j s VAL 430 Ca 0.08 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1b8j s VAL 430 Cb 0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1b8j s VAL 430 CO 0.67 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1b8j n GLY 431 N -0.22 -1.39 3.72 4.51 0.00 -1.26 -4.80 105.19 105.75 1b8j n GLY 431 Ca 0.07 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1b8j n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b8j s LEU 432 N 0.00 4.28 0.25 0.99 2.96 -1.26 -2.46 118.68 123.45 1b8j s LEU 432 Ca 0.00 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 1b8j s LEU 432 Cb 0.00 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 1b8j s LEU 432 CO 0.00 -0.00 0.21 0.42 -1.32 0.00 0.00 176.35 175.65 1b8j s THR 433 N 0.61 0.00 0.19 3.68 -4.23 -0.93 -5.01 115.64 109.96 1b8j s THR 433 Ca 0.27 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1b8j s THR 433 Cb -0.15 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1b8j s THR 433 CO 0.11 0.00 0.06 -0.62 -0.54 0.00 0.00 174.62 173.63 1b8j s ASP 434 N -3.23 5.03 0.45 3.99 2.15 -1.26 -1.52 116.67 122.28 1b8j s ASP 434 Ca 0.39 -0.34 0.16 0.00 0.43 0.00 0.00 52.55 53.19 1b8j s ASP 434 Cb 0.05 -1.15 1.10 0.00 -0.30 0.00 0.00 42.92 42.61 1b8j s ASP 434 CO 0.18 0.05 1.97 -0.61 -0.17 0.00 0.00 175.17 176.59 1b8j h GLN 435 N 2.35 0.33 0.00 4.34 4.15 -1.31 -1.10 115.11 123.86 1b8j h GLN 435 Ca -0.47 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.90 1b8j h GLN 435 Cb 1.21 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 1b8j h GLN 435 CO 0.60 0.22 -0.14 1.79 -1.93 0.00 0.00 178.83 179.36 1b8j h THR 436 N 0.34 0.34 0.00 2.39 1.35 -1.85 -1.14 112.91 114.34 1b8j h THR 436 Ca 0.29 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 1b8j h THR 436 Cb 0.68 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1b8j h THR 436 CO -0.07 0.14 -0.07 0.44 -0.25 0.00 0.00 175.52 175.70 1b8j h ASP 437 N 0.00 0.00 -0.12 5.36 3.32 -1.52 -2.48 116.42 120.98 1b8j h ASP 437 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1b8j h ASP 437 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1b8j h ASP 437 CO 0.02 0.07 -0.14 0.25 -1.72 0.00 0.00 179.24 177.72 1b8j h LEU 438 N 0.00 0.47 0.00 1.55 5.85 -1.25 -0.47 115.31 121.47 1b8j h LEU 438 Ca -0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1b8j h LEU 438 Cb 0.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1b8j h LEU 438 CO 0.01 0.65 -0.00 0.15 -0.34 0.00 0.00 178.44 178.91 1b8j h PHE 439 N 0.45 -0.00 -0.99 1.25 3.57 -1.53 -1.59 116.94 118.10 1b8j h PHE 439 Ca 0.08 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1b8j h PHE 439 Cb 0.52 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1b8j h PHE 439 CO 0.02 0.20 0.65 1.88 -2.23 0.00 0.00 178.31 178.82 1b8j h TYR 440 N -0.20 1.22 -0.47 0.41 0.05 -1.49 -0.98 116.97 115.51 1b8j h TYR 440 Ca -0.00 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1b8j h TYR 440 Cb 0.20 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1b8j h TYR 440 CO -0.01 0.72 0.17 1.15 -1.05 0.00 0.00 178.16 179.14 1b8j h THR 441 N 1.28 1.22 -0.37 -2.88 2.02 -0.89 -1.61 112.91 111.66 1b8j h THR 441 Ca 0.39 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 1b8j h THR 441 Cb -0.04 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1b8j h THR 441 CO -0.11 0.25 -0.18 0.24 0.37 0.00 0.00 175.52 176.09 1b8j h MET 442 N 0.62 0.78 -0.49 6.66 2.86 -0.92 -0.76 114.93 123.68 1b8j h MET 442 Ca 0.16 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1b8j h MET 442 Cb 0.23 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1b8j h MET 442 CO -0.01 0.96 0.31 -0.22 1.06 0.00 0.00 176.91 179.01 1b8j h LYS 443 N 0.57 0.66 -0.49 1.72 3.64 -1.17 -1.31 116.57 120.19 1b8j h LYS 443 Ca 0.08 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1b8j h LYS 443 Cb 0.73 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1b8j h LYS 443 CO 0.05 0.46 -0.02 0.00 -2.27 0.00 0.00 179.45 177.68 1b8j h ALA 444 N 1.16 0.67 -0.80 5.00 0.00 -1.21 -0.06 119.26 124.01 1b8j h ALA 444 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1b8j h ALA 444 Cb -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1b8j h ALA 444 CO -0.04 0.49 0.37 0.00 0.00 0.00 0.00 179.25 180.08 1b8j h ALA 445 N 0.92 1.14 -0.00 0.00 0.00 -0.88 -1.55 119.26 118.89 1b8j h ALA 445 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b8j h ALA 445 Cb 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b8j h ALA 445 CO 0.03 0.64 -0.11 1.28 0.00 0.00 0.00 179.25 181.09 1b8j n LEU 446 N -4.30 0.32 -0.81 0.00 4.77 -0.52 -0.21 117.00 116.25 1b8j n LEU 446 Ca 0.08 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1b8j n LEU 446 Cb 0.15 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1b8j n LEU 446 CO 0.40 0.06 -0.10 0.61 -1.33 0.00 0.00 177.39 177.03 1b8j n GLY 447 N 1.33 0.71 3.79 -0.72 0.00 -0.43 -4.91 105.19 104.96 1b8j n GLY 447 Ca 0.12 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1b8j n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b8j s LEU 448 N -2.25 3.56 0.00 0.99 1.43 -0.17 -5.00 118.68 117.25 1b8j s LEU 448 Ca 0.00 1.95 0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1b8j s LEU 448 Cb 0.00 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.82 1b8j s LEU 448 CO 0.00 -1.24 1.09 0.29 0.23 0.00 0.00 176.35 176.72