#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rjs s VAL 13 N 0.00 4.93 -0.26 -1.45 1.01 0.10 -4.92 120.40 119.81 2rjs s VAL 13 Ca 0.00 1.45 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 2rjs s VAL 13 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2rjs s VAL 13 CO 0.00 0.05 0.90 -0.55 0.00 0.00 0.00 175.10 175.50 2rjs s SER 14 N 1.20 6.88 -0.65 3.32 0.15 -1.26 -1.49 113.70 121.86 2rjs s SER 14 Ca 0.34 1.06 -0.09 0.00 0.70 0.00 0.00 55.95 57.97 2rjs s SER 14 Cb -0.16 -2.47 0.17 0.00 -1.71 0.00 0.00 66.02 61.85 2rjs s SER 14 CO 0.11 -0.61 0.52 -0.69 1.20 0.00 0.00 173.24 173.77 2rjs s VAL 15 N 3.04 4.53 -0.44 4.45 1.01 -0.77 -4.58 120.40 127.65 2rjs s VAL 15 Ca 0.38 -2.42 0.04 0.00 0.00 0.00 0.00 61.98 59.98 2rjs s VAL 15 Cb -0.15 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.40 2rjs s VAL 15 CO 0.09 -0.90 0.82 -0.90 0.00 0.00 0.00 175.10 174.21 2rjs n ASP 16 N 4.11 1.75 -0.34 3.32 5.68 -1.26 -4.26 116.55 125.56 2rjs n ASP 16 Ca 0.05 -1.51 -0.04 0.00 -0.50 0.00 0.00 54.79 52.78 2rjs n ASP 16 Cb 0.42 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 2rjs n ASP 16 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rjs n GLY 17 N 0.08 0.59 0.16 6.12 0.00 -1.19 -4.10 105.19 106.84 2rjs n GLY 17 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2rjs n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rjs n GLU 18 N -1.21 0.00 -0.06 1.61 -0.58 -1.26 -4.48 120.64 114.66 2rjs n GLU 18 Ca -0.04 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.72 2rjs n GLU 18 Cb 0.35 -0.64 0.05 0.00 -0.57 0.00 0.00 31.44 30.63 2rjs n GLU 18 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2rjs n THR 19 N -1.95 0.95 -1.98 2.62 -2.24 -1.26 -4.91 114.28 105.51 2rjs n THR 19 Ca 0.00 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.39 2rjs n THR 19 Cb 0.19 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 2rjs n THR 19 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2rjs s LEU 20 N -0.97 4.38 0.32 3.22 2.96 -1.26 -5.02 118.68 122.30 2rjs s LEU 20 Ca 0.08 2.82 0.10 0.00 -0.22 0.00 0.00 54.13 56.90 2rjs s LEU 20 Cb 0.04 -3.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 2rjs s LEU 20 CO 0.06 -0.70 -0.04 0.42 -1.32 0.00 0.00 176.35 174.77 2rjs s THR 21 N -0.85 2.68 0.18 3.68 -4.23 -1.26 -4.78 115.64 111.06 2rjs s THR 21 Ca 0.53 -2.07 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 2rjs s THR 21 Cb -0.43 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 70.79 2rjs s THR 21 CO 0.54 -0.26 1.83 0.58 -0.54 0.00 0.00 174.62 176.77 2rjs h VAL 22 N 1.92 1.11 -0.55 2.29 2.07 -1.94 -1.62 116.25 119.55 2rjs h VAL 22 Ca -0.42 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2rjs h VAL 22 Cb 1.25 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2rjs h VAL 22 CO 0.65 0.13 0.09 -0.33 0.02 0.00 0.00 177.57 178.13 2rjs h GLU 23 N 0.70 0.87 -0.50 1.57 4.39 -1.96 -1.92 114.58 117.73 2rjs h GLU 23 Ca 0.21 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.75 2rjs h GLU 23 Cb -0.05 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 2rjs h GLU 23 CO -0.06 0.81 0.25 0.00 -1.16 0.00 0.00 179.01 178.85 2rjs h ALA 24 N 1.27 0.63 -0.53 3.43 0.00 -1.81 -0.83 119.26 121.44 2rjs h ALA 24 Ca 0.17 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2rjs h ALA 24 Cb 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2rjs h ALA 24 CO 0.01 -0.09 0.27 0.28 0.00 0.00 0.00 179.25 179.72 2rjs h VAL 25 N 0.50 0.96 -0.39 0.00 2.07 -0.71 -1.83 116.25 116.85 2rjs h VAL 25 Ca 0.22 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2rjs h VAL 25 Cb 0.12 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2rjs h VAL 25 CO -0.15 0.10 0.20 0.03 0.02 0.00 0.00 177.57 177.77 2rjs h ARG 26 N 0.53 0.54 -0.49 1.57 3.08 -0.60 0.10 114.38 119.10 2rjs h ARG 26 Ca 0.23 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.30 2rjs h ARG 26 Cb 0.13 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 2rjs h ARG 26 CO -0.16 0.46 0.09 0.00 -1.07 0.00 0.00 179.97 179.29 2rjs h ARG 27 N 0.49 0.22 -0.58 0.04 3.08 -0.78 1.16 114.38 118.00 2rjs h ARG 27 Ca 0.13 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2rjs h ARG 27 Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2rjs h ARG 27 CO -0.02 0.14 0.16 0.28 -1.07 0.00 0.00 179.97 179.47 2rjs h VAL 28 N 0.22 1.25 0.00 2.04 2.07 -0.93 -0.63 116.25 120.28 2rjs h VAL 28 Ca 0.25 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2rjs h VAL 28 Cb 0.34 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2rjs h VAL 28 CO -0.33 0.32 -0.00 0.00 0.02 0.00 0.00 177.57 177.58 2rjs h ALA 29 N 1.04 -0.01 0.11 1.67 0.00 0.11 -3.13 119.26 119.05 2rjs h ALA 29 Ca 0.19 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 2rjs h ALA 29 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2rjs h ALA 29 CO -0.00 -0.06 -1.21 0.93 0.00 0.00 0.00 179.25 178.91 2rjs h GLU 30 N -0.89 0.22 -0.47 0.00 5.08 0.12 -3.38 114.58 115.27 2rjs h GLU 30 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2rjs h GLU 30 Cb 0.85 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2rjs h GLU 30 CO 0.00 1.18 0.00 0.39 -1.00 0.00 0.00 179.01 179.58 2rjs n GLU 31 N -4.04 2.24 -4.01 2.33 -0.58 -0.31 -4.95 120.64 111.32 2rjs n GLU 31 Ca -0.22 -1.91 -0.31 0.00 -0.42 0.00 0.00 57.16 54.30 2rjs n GLU 31 Cb 0.85 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 2rjs n GLU 31 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2rjs n ARG 32 N 1.07 -4.26 -2.34 3.49 5.12 -0.78 -4.91 116.66 114.05 2rjs n ARG 32 Ca 0.18 0.49 -0.36 0.00 -1.93 0.00 0.00 57.85 56.23 2rjs n ARG 32 Cb 0.47 -5.15 -0.02 0.00 -1.16 0.00 0.00 32.46 26.60 2rjs n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rjs s ALA 33 N -3.45 2.92 0.35 7.54 0.00 -0.80 -4.96 121.76 123.36 2rjs s ALA 33 Ca 0.51 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 2rjs s ALA 33 Cb -0.27 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 2rjs s ALA 33 CO 0.87 -0.57 1.18 0.99 0.00 0.00 0.00 175.76 178.24 2rjs s THR 34 N -1.66 3.15 0.11 0.00 2.01 -1.26 -4.58 115.64 113.41 2rjs s THR 34 Ca 0.65 1.06 0.06 0.00 0.31 0.00 0.00 61.69 63.77 2rjs s THR 34 Cb -0.25 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2rjs s THR 34 CO 0.30 0.18 -0.03 0.68 -0.69 0.00 0.00 174.62 175.06 2rjs s VAL 35 N -1.28 3.77 -0.07 3.82 -7.23 -1.26 0.01 120.40 118.15 2rjs s VAL 35 Ca 0.52 -1.14 -0.03 0.00 -1.81 0.00 0.00 61.98 59.52 2rjs s VAL 35 Cb -0.33 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 33.85 2rjs s VAL 35 CO 0.42 0.08 0.16 -0.62 -0.31 0.00 0.00 175.10 174.84 2rjs s ASP 36 N -2.37 0.20 -0.23 4.85 2.15 -0.55 -4.89 116.67 115.84 2rjs s ASP 36 Ca 0.25 0.32 -0.21 0.00 0.43 0.00 0.00 52.55 53.34 2rjs s ASP 36 Cb -0.11 0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.73 2rjs s ASP 36 CO 0.17 -0.19 0.68 -0.69 -0.17 0.00 0.00 175.17 174.97 2rjs s VAL 37 N 1.60 4.96 0.53 1.11 1.01 -1.26 -1.84 120.40 126.51 2rjs s VAL 37 Ca -0.05 1.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.97 2rjs s VAL 37 Cb -0.12 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2rjs s VAL 37 CO -0.06 0.03 1.35 -2.84 0.00 0.00 0.00 175.10 173.59 2rjs s PRO 38 N 2.36 3.24 0.38 2.72 0.02 -1.26 -4.78 135.00 137.68 2rjs s PRO 38 Ca 0.29 2.23 0.08 0.00 0.02 0.00 0.00 61.00 63.62 2rjs s PRO 38 Cb -0.16 -2.31 0.82 0.00 0.02 0.00 0.00 34.50 32.88 2rjs s PRO 38 CO 0.09 -1.11 1.95 0.00 -0.33 0.00 0.00 177.00 177.60 2rjs h ALA 39 N 1.59 1.80 -0.67 -1.55 0.00 -1.97 0.97 119.26 119.43 2rjs h ALA 39 Ca -0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2rjs h ALA 39 Cb 1.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2rjs h ALA 39 CO 0.58 0.05 0.35 0.93 0.00 0.00 0.00 179.25 181.16 2rjs h GLU 40 N 0.66 0.95 -0.12 0.00 3.07 -1.98 0.37 114.58 117.54 2rjs h GLU 40 Ca 0.33 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 59.00 2rjs h GLU 40 Cb 0.42 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2rjs h GLU 40 CO -0.12 0.73 -0.19 0.77 -1.40 0.00 0.00 179.01 178.80 2rjs h SER 41 N 0.92 0.37 0.38 1.42 0.02 -1.42 0.71 113.55 115.94 2rjs h SER 41 Ca 0.23 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2rjs h SER 41 Cb 0.07 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2rjs h SER 41 CO -0.03 0.84 -0.09 -0.29 -1.14 0.00 0.00 176.83 176.11 2rjs h ILE 42 N -0.09 0.46 0.06 3.27 2.10 -0.68 -1.32 117.51 121.31 2rjs h ILE 42 Ca 0.01 -0.46 -0.18 0.00 1.08 0.00 0.00 64.86 65.31 2rjs h ILE 42 Cb 0.77 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 2rjs h ILE 42 CO 0.04 0.09 -0.94 0.00 -1.08 0.00 0.00 178.15 176.27 2rjs h ALA 43 N 1.91 0.13 0.00 0.18 0.00 -0.11 -2.96 119.26 118.40 2rjs h ALA 43 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2rjs h ALA 43 Cb 0.30 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2rjs h ALA 43 CO 0.01 0.53 0.00 1.17 0.00 0.00 0.00 179.25 180.96 2rjs n LYS 44 N -4.26 0.05 0.04 0.00 4.81 0.23 -2.11 118.16 116.92 2rjs n LYS 44 Ca -0.22 0.24 -0.21 0.00 -0.87 0.00 0.00 58.31 57.25 2rjs n LYS 44 Cb 0.72 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.13 2rjs n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rjs h ALA 45 N 2.51 0.32 -0.38 3.14 0.00 -1.31 -3.20 119.26 120.34 2rjs h ALA 45 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 54.91 53.53 2rjs h ALA 45 Cb 0.21 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2rjs h ALA 45 CO 0.00 1.19 -0.21 -0.56 0.00 0.00 0.00 179.25 179.67 2rjs h GLN 46 N 0.09 0.74 0.84 0.00 3.07 -1.25 -1.78 115.11 116.81 2rjs h GLN 46 Ca -0.37 -0.29 -0.04 0.00 0.09 0.00 0.00 58.65 58.04 2rjs h GLN 46 Cb 2.06 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 29.59 2rjs h GLN 46 CO 0.13 0.89 -0.40 0.87 0.09 0.00 0.00 178.83 180.41 2rjs h LYS 47 N 0.65 -1.08 -0.61 0.06 1.57 -1.58 0.18 116.57 115.76 2rjs h LYS 47 Ca 0.09 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 2rjs h LYS 47 Cb 0.70 0.25 -0.11 0.00 0.08 0.00 0.00 32.23 33.14 2rjs h LYS 47 CO 0.05 -0.72 -0.13 0.77 -0.57 0.00 0.00 179.45 178.85 2rjs h SER 48 N -1.13 -0.53 -0.82 0.86 0.02 -1.56 0.20 113.55 110.58 2rjs h SER 48 Ca -0.11 0.18 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2rjs h SER 48 Cb 0.86 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2rjs h SER 48 CO 0.19 -0.19 0.43 -0.09 -1.14 0.00 0.00 176.83 176.03 2rjs h ARG 49 N 0.01 0.65 -0.01 3.45 9.65 -1.11 0.16 114.38 127.18 2rjs h ARG 49 Ca 0.29 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2rjs h ARG 49 Cb 0.45 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 2rjs h ARG 49 CO -0.61 0.43 0.00 0.93 2.80 0.00 0.00 179.97 183.52 2rjs h GLU 50 N 0.67 0.02 0.07 0.20 5.08 0.24 -0.72 114.58 120.14 2rjs h GLU 50 Ca 0.42 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2rjs h GLU 50 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2rjs h GLU 50 CO -0.31 0.18 -0.04 0.82 -1.00 0.00 0.00 179.01 178.66 2rjs h ILE 51 N -0.15 1.10 -0.59 3.13 2.04 -0.78 -2.84 117.51 119.42 2rjs h ILE 51 Ca 0.00 -0.64 0.10 0.00 1.00 0.00 0.00 64.86 65.33 2rjs h ILE 51 Cb 0.17 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 2rjs h ILE 51 CO -0.00 0.16 0.18 0.15 0.00 0.00 0.00 178.15 178.63 2rjs h PHE 52 N -0.39 0.30 -0.36 1.37 3.57 -0.72 -0.47 116.94 120.24 2rjs h PHE 52 Ca -0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2rjs h PHE 52 Cb 0.34 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2rjs h PHE 52 CO 0.02 0.04 0.24 1.49 -2.23 0.00 0.00 178.31 177.87 2rjs h GLU 53 N 0.33 0.36 0.00 1.11 4.81 -1.09 0.19 114.58 120.29 2rjs h GLU 53 Ca 0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2rjs h GLU 53 Cb 0.41 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2rjs h GLU 53 CO -0.34 0.24 0.00 0.78 -0.73 0.00 0.00 179.01 178.96 2rjs h GLY 54 N 0.37 0.00 1.22 1.92 0.00 -0.85 -2.82 103.07 102.90 2rjs h GLY 54 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.16 2rjs h GLY 54 CO -0.03 0.00 -1.54 -2.22 0.00 0.00 0.00 176.54 172.74 2rjs h ILE 55 N 0.00 1.15 0.00 2.60 2.04 -0.03 -3.31 117.51 119.95 2rjs h ILE 55 Ca 0.00 -2.77 -0.01 0.00 1.00 0.00 0.00 64.86 63.08 2rjs h ILE 55 Cb 0.70 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2rjs h ILE 55 CO 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 178.15 178.93 2rjs h ALA 56 N 0.45 0.99 0.00 1.87 0.00 -1.17 -3.06 119.26 118.34 2rjs h ALA 56 Ca -0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2rjs h ALA 56 Cb 2.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2rjs h ALA 56 CO 0.17 0.05 -0.35 0.93 0.00 0.00 0.00 179.25 180.05 2rjs h GLU 57 N 0.00 0.00 -0.32 0.00 4.39 -1.59 -2.36 114.58 114.70 2rjs h GLU 57 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rjs h GLU 57 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2rjs h GLU 57 CO 0.01 0.35 0.00 1.04 -1.16 0.00 0.00 179.01 179.24 2rjs n GLN 58 N -3.82 1.33 -4.45 2.33 6.02 -1.16 -4.89 117.38 112.74 2rjs n GLN 58 Ca -0.01 -0.41 -0.39 0.00 -0.01 0.00 0.00 57.00 56.18 2rjs n GLN 58 Cb 0.42 -1.22 -0.08 0.00 1.02 0.00 0.00 30.24 30.39 2rjs n GLN 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2rjs n ASN 59 N -0.11 -1.38 -4.86 1.08 5.03 -0.89 -4.94 115.26 109.20 2rjs n ASN 59 Ca 0.04 -1.22 -0.32 0.00 0.87 0.00 0.00 54.58 53.95 2rjs n ASN 59 Cb 0.17 -1.76 -0.05 0.00 -1.02 0.00 0.00 39.78 37.12 2rjs n ASN 59 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2rjs s ILE 60 N -3.51 4.68 -0.05 2.41 -4.36 -1.26 -5.01 121.20 114.11 2rjs s ILE 60 Ca 0.64 0.90 -0.32 0.00 -0.26 0.00 0.00 60.65 61.60 2rjs s ILE 60 Cb -0.37 -3.67 -0.10 0.00 1.25 0.00 0.00 42.46 39.58 2rjs s ILE 60 CO 1.01 -0.38 1.97 -2.65 0.24 0.00 0.00 174.94 175.12 2rjs n PRO 61 N -0.89 2.46 -3.67 0.37 -0.02 -1.26 -4.78 135.00 127.20 2rjs n PRO 61 Ca 0.04 0.88 -0.18 0.00 -2.02 0.00 0.00 63.50 62.22 2rjs n PRO 61 Cb 0.54 -2.86 -0.16 0.00 -0.02 0.00 0.00 33.50 30.99 2rjs n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2rjs s ILE 62 N 4.74 -0.20 0.20 4.25 1.01 -1.26 -5.01 121.20 124.93 2rjs s ILE 62 Ca 0.92 0.37 -0.32 0.00 0.00 0.00 0.00 60.65 61.62 2rjs s ILE 62 Cb -0.55 -0.24 -0.13 0.00 0.01 0.00 0.00 42.46 41.55 2rjs s ILE 62 CO 0.46 0.15 1.55 0.00 0.00 0.00 0.00 174.94 177.10 2rjs n TYR 63 N 5.24 2.37 0.00 3.97 9.36 -1.26 -0.65 117.16 136.19 2rjs n TYR 63 Ca -0.06 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.45 2rjs n TYR 63 Cb 0.50 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 2rjs n TYR 63 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2rjs n GLY 64 N 2.99 2.61 0.08 2.98 0.00 -1.26 -4.56 105.19 108.03 2rjs n GLY 64 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2rjs n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rjs n VAL 65 N -1.94 0.97 -2.56 1.61 0.31 -0.61 -4.46 118.33 111.64 2rjs n VAL 65 Ca 0.00 -0.37 0.01 0.00 -0.01 0.00 0.00 64.34 63.97 2rjs n VAL 65 Cb 0.00 -1.09 0.04 0.00 -0.91 0.00 0.00 33.84 31.88 2rjs n VAL 65 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2rjs n THR 66 N -2.99 0.77 -4.02 2.52 -2.24 0.17 -4.86 114.28 103.63 2rjs n THR 66 Ca -0.30 -2.07 -0.10 0.00 -2.27 0.00 0.00 64.05 59.31 2rjs n THR 66 Cb 0.82 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.95 2rjs n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2rjs s THR 67 N -1.96 0.00 1.07 4.28 -4.23 -1.23 -1.79 115.64 111.77 2rjs s THR 67 Ca 0.32 -1.47 -0.17 0.00 -1.18 0.00 0.00 61.69 59.19 2rjs s THR 67 Cb 0.36 -2.30 0.24 0.00 1.34 0.00 0.00 72.50 72.14 2rjs s THR 67 CO -0.10 0.00 1.22 -0.83 -0.54 0.00 0.00 174.62 174.37 2rjs s GLY 68 N -3.06 1.68 -0.06 3.99 0.00 0.24 -4.18 107.32 105.94 2rjs s GLY 68 Ca 0.24 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 2rjs s GLY 68 CO 0.11 -0.25 0.02 -0.19 0.00 0.00 0.00 173.10 172.79 2rjs s TYR 69 N -3.47 3.19 0.00 1.90 2.02 -1.26 -3.91 117.35 115.82 2rjs s TYR 69 Ca 0.72 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 2rjs s TYR 69 Cb -0.07 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 2rjs s TYR 69 CO 0.54 0.50 0.00 0.41 -1.57 0.00 0.00 175.55 175.43 2rjs n GLY 70 N 1.85 2.82 0.25 0.71 0.00 -1.26 -2.41 105.19 107.16 2rjs n GLY 70 Ca -0.17 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.74 2rjs n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rjs h GLU 71 N 0.00 0.00 -0.82 1.61 4.57 -1.94 -2.85 114.58 115.15 2rjs h GLU 71 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2rjs h GLU 71 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2rjs h GLU 71 CO 0.00 0.14 0.00 -1.33 -1.18 0.00 0.00 179.01 176.64 2rjs n MET 72 N -3.50 1.65 0.15 1.92 2.81 -1.01 -4.00 117.12 115.14 2rjs n MET 72 Ca -0.01 -0.56 0.11 0.00 -1.81 0.00 0.00 57.70 55.43 2rjs n MET 72 Cb 0.30 -1.57 0.55 0.00 -0.71 0.00 0.00 33.22 31.78 2rjs n MET 72 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 2rjs n ILE 73 N 0.08 0.98 0.43 2.02 3.06 -1.08 -0.38 119.36 124.47 2rjs n ILE 73 Ca 0.05 0.55 0.13 0.00 -2.50 0.00 0.00 62.75 60.98 2rjs n ILE 73 Cb 0.38 -1.53 0.44 0.00 0.54 0.00 0.00 39.64 39.48 2rjs n ILE 73 CO 0.00 0.00 0.00 0.10 -2.50 0.00 0.00 176.55 174.15 2rjs h TYR 74 N 0.00 0.00 -3.49 9.51 -0.00 -1.87 -3.37 116.97 117.75 2rjs h TYR 74 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.73 58.16 2rjs h TYR 74 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 36.80 2rjs h TYR 74 CO 0.00 0.00 0.93 -1.64 -0.00 0.00 0.00 178.16 177.45 2rjs s MET 75 N -3.29 3.81 -0.04 0.10 -1.94 0.49 -4.94 119.30 113.49 2rjs s MET 75 Ca 0.06 0.82 -0.25 0.00 -1.71 0.00 0.00 55.69 54.61 2rjs s MET 75 Cb 0.10 -3.88 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 2rjs s MET 75 CO 0.53 -1.26 0.79 -0.65 -0.01 0.00 0.00 175.02 174.42 2rjs s GLN 76 N 4.29 4.48 -0.12 2.03 -1.52 -1.26 -0.59 119.66 126.96 2rjs s GLN 76 Ca 0.50 1.05 0.03 0.00 -1.95 0.00 0.00 55.36 54.99 2rjs s GLN 76 Cb -0.10 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 2rjs s GLN 76 CO 0.27 0.03 -0.22 0.08 -0.25 0.00 0.00 175.29 175.20 2rjs s VAL 77 N 0.85 2.18 0.48 1.09 1.01 -0.74 -4.93 120.40 120.33 2rjs s VAL 77 Ca 0.42 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2rjs s VAL 77 Cb -0.19 -1.86 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 2rjs s VAL 77 CO 0.21 0.55 1.08 -0.62 0.00 0.00 0.00 175.10 176.33 2rjs s ASP 78 N 0.53 6.25 0.33 3.32 -1.08 -1.26 -4.41 116.67 120.35 2rjs s ASP 78 Ca -0.13 2.07 0.19 0.00 -0.52 0.00 0.00 52.55 54.16 2rjs s ASP 78 Cb -0.17 -2.58 1.02 0.00 -1.46 0.00 0.00 42.92 39.74 2rjs s ASP 78 CO 0.04 -0.85 1.54 2.29 0.52 0.00 0.00 175.17 178.71 2rjs n LYS 79 N -0.78 0.12 0.00 4.34 2.85 -1.26 -1.74 118.16 121.69 2rjs n LYS 79 Ca 0.09 0.62 0.11 0.00 -1.05 0.00 0.00 58.31 58.07 2rjs n LYS 79 Cb 0.51 -2.02 0.58 0.00 -0.65 0.00 0.00 35.03 33.45 2rjs n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rjs n SER 80 N -2.20 0.00 -1.33 -5.58 3.41 -1.26 -2.32 113.62 104.33 2rjs n SER 80 Ca -0.01 -0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.56 2rjs n SER 80 Cb 0.14 -0.25 0.32 0.00 -0.26 0.00 0.00 64.21 64.16 2rjs n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2rjs n LYS 81 N -1.25 3.72 -0.14 4.33 4.76 -0.71 -4.80 118.16 124.07 2rjs n LYS 81 Ca 0.11 -2.88 -0.04 0.00 -2.87 0.00 0.00 58.31 52.64 2rjs n LYS 81 Cb 0.17 -1.93 -0.03 0.00 -1.84 0.00 0.00 35.03 31.39 2rjs n LYS 81 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2rjs n GLU 82 N 0.32 -0.15 -0.02 1.97 2.13 -0.98 -0.95 120.64 122.96 2rjs n GLU 82 Ca 0.23 1.15 -0.05 0.00 0.66 0.00 0.00 57.16 59.16 2rjs n GLU 82 Cb 0.94 -1.71 0.16 0.00 0.27 0.00 0.00 31.44 31.10 2rjs n GLU 82 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rjs h VAL 83 N 0.00 1.27 -0.40 6.31 2.07 -1.87 -3.19 116.25 120.44 2rjs h VAL 83 Ca 0.05 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 2rjs h VAL 83 Cb 0.14 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2rjs h VAL 83 CO -0.32 0.42 -0.00 -0.08 0.02 0.00 0.00 177.57 177.61 2rjs h GLU 84 N 0.51 0.71 0.64 1.57 4.81 -1.76 -2.49 114.58 118.57 2rjs h GLU 84 Ca 0.07 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2rjs h GLU 84 Cb 0.70 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2rjs h GLU 84 CO 0.05 0.80 -0.40 1.25 -0.73 0.00 0.00 179.01 179.98 2rjs h LEU 85 N 0.54 -1.00 -1.43 1.64 5.85 -1.04 0.27 115.31 120.14 2rjs h LEU 85 Ca 0.11 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2rjs h LEU 85 Cb 0.48 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2rjs h LEU 85 CO 0.02 -0.61 0.48 1.56 -0.34 0.00 0.00 178.44 179.54 2rjs h GLN 86 N -0.98 0.63 0.07 1.25 1.08 -1.62 -2.44 115.11 113.10 2rjs h GLN 86 Ca -0.08 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2rjs h GLN 86 Cb 0.79 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2rjs h GLN 86 CO 0.08 0.42 -0.03 1.15 -0.95 0.00 0.00 178.83 179.49 2rjs h THR 87 N 0.65 1.22 -1.00 -0.54 2.02 -1.12 -2.71 112.91 111.43 2rjs h THR 87 Ca 0.33 -1.38 0.16 0.00 0.77 0.00 0.00 66.41 66.29 2rjs h THR 87 Cb 0.43 2.07 -0.10 0.00 -1.74 0.00 0.00 68.15 68.82 2rjs h THR 87 CO -0.12 0.32 0.61 0.78 0.37 0.00 0.00 175.52 177.49 2rjs h ASN 88 N -0.76 0.82 0.57 4.18 2.35 -0.83 -0.13 115.58 121.79 2rjs h ASN 88 Ca -0.01 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2rjs h ASN 88 Cb 0.60 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2rjs h ASN 88 CO 0.02 0.35 -0.36 0.25 -1.65 0.00 0.00 177.43 176.03 2rjs h LEU 89 N 0.84 -0.92 -1.14 1.61 5.85 -1.46 0.42 115.31 120.51 2rjs h LEU 89 Ca 0.55 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.37 2rjs h LEU 89 Cb 0.75 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2rjs h LEU 89 CO -0.34 -0.56 0.59 0.58 -0.34 0.00 0.00 178.44 178.36 2rjs h VAL 90 N -0.89 1.13 -0.04 1.05 2.07 -1.03 -0.95 116.25 117.60 2rjs h VAL 90 Ca -0.07 -0.38 -0.21 0.00 0.82 0.00 0.00 66.70 66.87 2rjs h VAL 90 Cb 0.73 -0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2rjs h VAL 90 CO 0.06 0.20 -0.80 0.03 0.02 0.00 0.00 177.57 177.08 2rjs h ARG 91 N 1.10 0.60 0.00 1.57 3.08 -0.81 -2.72 114.38 117.21 2rjs h ARG 91 Ca 0.36 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2rjs h ARG 91 Cb 0.07 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2rjs h ARG 91 CO -0.12 1.21 0.00 -1.13 -1.07 0.00 0.00 179.97 178.87 2rjs n SER 92 N -4.03 0.27 -0.03 7.04 3.41 0.14 -2.99 113.62 117.43 2rjs n SER 92 Ca -0.10 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.12 2rjs n SER 92 Cb 0.76 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2rjs n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2rjs n HIS 93 N -1.77 0.00 -1.47 7.33 8.25 -0.38 -4.65 115.22 122.54 2rjs n HIS 93 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 2rjs n HIS 93 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 2rjs n HIS 93 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2rjs n SER 94 N -1.25 3.18 -1.47 0.41 7.64 -1.03 -4.15 113.62 116.96 2rjs n SER 94 Ca 0.03 -2.76 -0.12 0.00 1.01 0.00 0.00 58.87 57.04 2rjs n SER 94 Cb 0.25 -1.38 0.10 0.00 -1.01 0.00 0.00 64.21 62.16 2rjs n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rjs n ALA 95 N 7.10 4.44 -1.79 -0.43 0.00 -1.26 -5.00 120.51 123.56 2rjs n ALA 95 Ca 0.51 -3.58 -0.36 0.00 0.00 0.00 0.00 53.44 50.01 2rjs n ALA 95 Cb 0.40 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 2rjs n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2rjs s GLY 96 N -3.45 2.66 0.42 0.00 0.00 -1.26 -4.86 107.32 100.83 2rjs s GLY 96 Ca 0.45 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.79 2rjs s GLY 96 CO -0.01 0.97 0.16 -1.34 0.00 0.00 0.00 173.10 172.87 2rjs s VAL 97 N -1.78 0.47 0.00 1.40 -7.23 0.10 -4.88 120.40 108.48 2rjs s VAL 97 Ca 0.57 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2rjs s VAL 97 Cb -0.18 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2rjs s VAL 97 CO 0.23 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 2rjs n GLY 98 N -0.93 -1.85 3.68 2.32 0.00 -1.26 -1.17 105.19 105.98 2rjs n GLY 98 Ca -0.05 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2rjs n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2rjs s PRO 99 N 0.00 0.90 0.00 1.61 0.02 -1.26 -4.62 135.00 131.65 2rjs s PRO 99 Ca 0.00 0.88 -0.10 0.00 0.02 0.00 0.00 61.00 61.80 2rjs s PRO 99 Cb 0.00 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 2rjs s PRO 99 CO 0.00 -2.51 0.32 -0.51 -0.33 0.00 0.00 177.00 173.97 2rjs s LEU 100 N -6.40 4.40 0.66 -5.54 1.43 -1.26 0.11 118.68 112.07 2rjs s LEU 100 Ca 0.64 0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 2rjs s LEU 100 Cb -0.19 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2rjs s LEU 100 CO 0.58 0.28 1.20 -0.36 0.23 0.00 0.00 176.35 178.27 2rjs s PHE 101 N -1.22 2.27 0.83 0.29 0.08 0.25 -4.85 117.98 115.63 2rjs s PHE 101 Ca 0.26 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.75 2rjs s PHE 101 Cb -0.14 -3.44 0.09 0.00 -0.57 0.00 0.00 43.02 38.96 2rjs s PHE 101 CO 0.14 -2.33 1.09 0.00 -0.10 0.00 0.00 175.22 174.03 2rjs s ALA 102 N -1.85 1.90 0.17 5.36 0.00 -1.26 -4.70 121.76 121.38 2rjs s ALA 102 Ca 0.75 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 2rjs s ALA 102 Cb -0.29 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 19.69 2rjs s ALA 102 CO 0.39 -2.07 1.67 1.49 0.00 0.00 0.00 175.76 177.24 2rjs h GLU 103 N -1.35 0.01 -0.19 0.00 4.81 -1.95 0.90 114.58 116.81 2rjs h GLU 103 Ca -0.46 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 2rjs h GLU 103 Cb 1.26 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2rjs h GLU 103 CO 0.52 0.01 -0.11 0.38 -0.73 0.00 0.00 179.01 179.09 2rjs h ASP 104 N 0.01 0.28 -0.18 1.04 3.04 -1.92 -1.18 116.42 117.52 2rjs h ASP 104 Ca 0.20 -0.06 -0.09 0.00 -3.24 0.00 0.00 57.03 53.84 2rjs h ASP 104 Cb 0.30 -0.07 -0.00 0.00 -1.04 0.00 0.00 39.33 38.51 2rjs h ASP 104 CO -0.41 0.42 -0.26 -0.33 -2.04 0.00 0.00 179.24 176.63 2rjs h GLU 105 N 0.28 0.48 -0.65 4.15 5.08 -1.58 -2.20 114.58 120.15 2rjs h GLU 105 Ca 0.06 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2rjs h GLU 105 Cb 0.37 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2rjs h GLU 105 CO 0.02 0.88 0.41 0.00 -1.00 0.00 0.00 179.01 179.32 2rjs h ALA 106 N 0.60 0.83 -0.66 3.43 0.00 -0.61 -2.06 119.26 120.79 2rjs h ALA 106 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2rjs h ALA 106 Cb 0.83 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2rjs h ALA 106 CO 0.06 0.28 0.18 0.00 0.00 0.00 0.00 179.25 179.77 2rjs h ARG 107 N 0.88 1.03 -1.00 0.00 3.08 -1.19 -1.66 114.38 115.51 2rjs h ARG 107 Ca 0.24 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2rjs h ARG 107 Cb -0.06 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.79 2rjs h ARG 107 CO -0.05 0.89 0.66 0.00 -1.07 0.00 0.00 179.97 180.40 2rjs h ALA 108 N 1.21 1.28 0.07 0.04 0.00 -0.96 -0.48 119.26 120.42 2rjs h ALA 108 Ca 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2rjs h ALA 108 Cb 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2rjs h ALA 108 CO -0.00 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.70 2rjs h ILE 109 N 1.36 1.09 -0.99 0.00 2.04 -0.80 -2.38 117.51 117.84 2rjs h ILE 109 Ca 0.37 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.71 2rjs h ILE 109 Cb -0.15 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2rjs h ILE 109 CO -0.08 0.14 0.64 0.58 0.00 0.00 0.00 178.15 179.44 2rjs h VAL 110 N -0.35 1.13 -0.49 1.67 2.07 -1.02 -2.17 116.25 117.10 2rjs h VAL 110 Ca -0.01 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2rjs h VAL 110 Cb 0.30 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2rjs h VAL 110 CO 0.02 0.22 0.28 0.00 0.02 0.00 0.00 177.57 178.10 2rjs h ALA 111 N 1.44 0.63 -0.28 1.67 0.00 -0.98 -1.67 119.26 120.07 2rjs h ALA 111 Ca 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2rjs h ALA 111 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2rjs h ALA 111 CO -0.14 0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 2rjs h ALA 112 N 1.12 1.44 -0.01 0.00 0.00 -0.93 -1.27 119.26 119.61 2rjs h ALA 112 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rjs h ALA 112 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2rjs h ALA 112 CO -0.03 0.39 -0.02 -0.09 0.00 0.00 0.00 179.25 179.50 2rjs h ARG 113 N 0.42 0.04 -0.69 0.00 9.65 -1.05 -2.63 114.38 120.11 2rjs h ARG 113 Ca 0.09 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 2rjs h ARG 113 Cb 0.31 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.83 2rjs h ARG 113 CO 0.01 0.59 0.36 1.25 2.80 0.00 0.00 179.97 184.98 2rjs h LEU 114 N -0.51 0.50 -1.46 3.80 5.85 -1.15 -0.85 115.31 121.48 2rjs h LEU 114 Ca 0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2rjs h LEU 114 Cb 0.58 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2rjs h LEU 114 CO 0.00 0.31 0.04 -1.13 -0.34 0.00 0.00 178.44 177.32 2rjs h ASN 115 N 0.64 0.36 -0.08 1.25 -0.73 -1.25 0.29 115.58 116.06 2rjs h ASN 115 Ca 0.33 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.43 2rjs h ASN 115 Cb 0.28 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 2rjs h ASN 115 CO -0.23 0.39 -0.02 0.74 -0.37 0.00 0.00 177.43 177.93 2rjs h THR 116 N 0.39 1.30 -0.02 -3.57 2.02 -0.80 -2.96 112.91 109.27 2rjs h THR 116 Ca 0.09 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.22 2rjs h THR 116 Cb 0.19 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2rjs h THR 116 CO 0.00 0.27 -0.38 -0.07 0.37 0.00 0.00 175.52 175.71 2rjs h LEU 117 N -0.19 0.04 -0.11 2.58 3.38 -0.81 -2.19 115.31 118.01 2rjs h LEU 117 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rjs h LEU 117 Cb 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2rjs h LEU 117 CO 0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.96 2rjs n ALA 118 N -2.47 1.61 0.23 1.53 0.00 0.98 -1.33 120.51 121.06 2rjs n ALA 118 Ca -0.02 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2rjs n ALA 118 Cb 0.42 -1.24 0.41 0.00 0.00 0.00 0.00 19.45 19.05 2rjs n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2rjs h LYS 119 N 0.00 0.00 0.00 0.00 3.64 -1.23 -3.38 116.57 115.60 2rjs h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rjs h LYS 119 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2rjs h LYS 119 CO 0.00 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 177.76 2rjs n GLY 120 N 0.40 0.67 0.67 5.01 0.00 -0.45 -4.95 105.19 106.55 2rjs n GLY 120 Ca 0.01 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2rjs n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rjs n HIS 121 N -2.63 0.00 1.09 1.61 8.25 -1.26 -4.40 115.22 117.88 2rjs n HIS 121 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2rjs n HIS 121 Cb 0.00 0.00 0.35 0.00 1.12 0.00 0.00 29.99 31.46 2rjs n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2rjs n SER 122 N 0.79 0.56 -3.93 0.41 7.64 -1.26 -1.36 113.62 116.48 2rjs n SER 122 Ca 0.10 -0.34 -0.31 0.00 1.01 0.00 0.00 58.87 59.33 2rjs n SER 122 Cb 0.45 0.12 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 2rjs n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rjs n ALA 123 N -1.26 -1.27 -2.95 -0.43 0.00 -1.26 -4.92 120.51 108.41 2rjs n ALA 123 Ca 0.08 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 2rjs n ALA 123 Cb 0.33 -4.48 -0.03 0.00 0.00 0.00 0.00 19.45 15.28 2rjs n ALA 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2rjs s VAL 124 N -3.29 5.18 0.42 0.00 -7.23 -1.26 -4.59 120.40 109.62 2rjs s VAL 124 Ca 0.67 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 2rjs s VAL 124 Cb -0.34 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 32.74 2rjs s VAL 124 CO 0.83 -0.27 1.31 -0.13 -0.31 0.00 0.00 175.10 176.53 2rjs s ARG 125 N -3.78 3.89 0.45 4.82 0.52 -1.26 -4.67 118.95 118.93 2rjs s ARG 125 Ca 0.34 2.17 0.19 0.00 -0.52 0.00 0.00 55.73 57.91 2rjs s ARG 125 Cb -0.09 -2.71 1.16 0.00 0.52 0.00 0.00 34.95 33.83 2rjs s ARG 125 CO 0.28 -0.56 1.91 -1.35 0.02 0.00 0.00 175.30 175.60 2rjs h PRO 126 N 2.55 0.29 -0.01 3.54 0.11 -1.89 -1.57 132.00 135.02 2rjs h PRO 126 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2rjs h PRO 126 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2rjs h PRO 126 CO 0.62 0.19 0.02 -0.84 -0.21 0.00 0.00 178.00 177.78 2rjs h ILE 127 N 0.30 0.26 -0.12 4.15 -0.00 -1.98 -0.31 117.51 119.81 2rjs h ILE 127 Ca 0.38 0.00 -0.12 0.00 -0.00 0.00 0.00 64.86 65.12 2rjs h ILE 127 Cb 1.04 0.98 0.00 0.00 -0.00 0.00 0.00 36.82 38.85 2rjs h ILE 127 CO -0.10 0.00 -0.37 0.40 -0.00 0.00 0.00 178.15 178.07 2rjs h ILE 128 N 0.00 1.37 -0.43 0.16 2.04 -1.65 0.26 117.51 119.27 2rjs h ILE 128 Ca 0.00 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 2rjs h ILE 128 Cb 0.04 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2rjs h ILE 128 CO -0.00 0.50 0.08 -0.07 0.00 0.00 0.00 178.15 178.66 2rjs h LEU 129 N 0.06 0.68 -0.03 1.44 4.07 -1.43 -1.57 115.31 118.52 2rjs h LEU 129 Ca -0.01 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2rjs h LEU 129 Cb 1.00 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 2rjs h LEU 129 CO 0.08 0.76 0.01 -0.33 -1.08 0.00 0.00 178.44 177.88 2rjs h GLU 130 N 0.57 0.03 -0.47 1.13 5.08 -1.02 -1.36 114.58 118.54 2rjs h GLU 130 Ca 0.13 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2rjs h GLU 130 Cb 0.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2rjs h GLU 130 CO 0.01 0.02 0.20 -0.09 -1.00 0.00 0.00 179.01 178.14 2rjs h ARG 131 N 0.03 0.67 -0.24 2.33 9.65 -0.37 -0.47 114.38 125.98 2rjs h ARG 131 Ca 0.01 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 2rjs h ARG 131 Cb 0.00 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2rjs h ARG 131 CO -0.01 0.54 -0.02 -0.07 2.80 0.00 0.00 179.97 183.22 2rjs h LEU 132 N 0.67 0.43 -1.89 3.80 3.38 -0.99 -2.36 115.31 118.34 2rjs h LEU 132 Ca 0.16 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2rjs h LEU 132 Cb 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2rjs h LEU 132 CO -0.02 0.65 -0.10 0.00 0.09 0.00 0.00 178.44 179.07 2rjs h ALA 133 N 0.79 1.72 0.00 1.53 0.00 -0.78 -2.47 119.26 120.05 2rjs h ALA 133 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rjs h ALA 133 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2rjs h ALA 133 CO 0.02 0.12 -0.00 0.37 0.00 0.00 0.00 179.25 179.75 2rjs h GLN 134 N 0.00 -0.00 -0.71 0.00 4.15 -0.72 -0.78 115.11 117.05 2rjs h GLN 134 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 2rjs h GLN 134 Cb 0.18 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 2rjs h GLN 134 CO 0.01 0.49 0.31 1.88 -1.93 0.00 0.00 178.83 179.59 2rjs h TYR 135 N -0.50 0.54 0.05 3.99 -1.99 -1.13 0.75 116.97 118.67 2rjs h TYR 135 Ca -0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 2rjs h TYR 135 Cb 0.50 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.10 2rjs h TYR 135 CO 0.10 0.14 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.30 2rjs h LEU 136 N 0.50 -0.05 -1.01 3.88 3.38 -1.41 -0.15 115.31 120.44 2rjs h LEU 136 Ca 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2rjs h LEU 136 Cb 0.48 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2rjs h LEU 136 CO -0.33 0.11 0.00 0.78 0.09 0.00 0.00 178.44 179.08 2rjs h ASN 137 N -0.21 0.00 -0.01 -0.43 2.35 -0.33 -3.19 115.58 113.77 2rjs h ASN 137 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2rjs h ASN 137 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2rjs h ASN 137 CO 0.01 0.00 -0.51 -0.62 -1.65 0.00 0.00 177.43 174.66 2rjs n GLU 138 N -2.87 1.32 -0.65 0.81 1.02 0.25 -4.99 120.64 115.53 2rjs n GLU 138 Ca 0.02 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 2rjs n GLU 138 Cb 0.33 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2rjs n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rjs n GLY 139 N 1.33 0.63 3.46 0.62 0.00 -0.31 -5.02 105.19 105.90 2rjs n GLY 139 Ca 0.07 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2rjs n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rjs s ILE 140 N -2.00 4.51 -0.23 -0.61 1.01 -0.22 -5.02 121.20 118.64 2rjs s ILE 140 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 2rjs s ILE 140 Cb 0.00 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2rjs s ILE 140 CO 0.00 -1.19 0.11 -0.89 0.00 0.00 0.00 174.94 172.97 2rjs s THR 141 N 3.57 4.93 0.41 2.92 2.01 -1.26 -4.49 115.64 123.73 2rjs s THR 141 Ca 0.22 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.99 2rjs s THR 141 Cb -0.17 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 2rjs s THR 141 CO 0.12 0.36 1.26 -2.84 -0.69 0.00 0.00 174.62 172.84 2rjs s PRO 142 N 1.11 3.93 -0.63 4.92 0.02 -1.26 0.13 135.00 143.22 2rjs s PRO 142 Ca 0.06 2.06 -0.24 0.00 0.02 0.00 0.00 61.00 62.89 2rjs s PRO 142 Cb -0.14 -2.69 0.05 0.00 0.02 0.00 0.00 34.50 31.74 2rjs s PRO 142 CO 0.04 -0.49 1.02 0.00 -0.33 0.00 0.00 177.00 177.24 2rjs s ALA 143 N -1.32 3.07 -0.26 -1.55 0.00 -0.83 -4.39 121.76 116.47 2rjs s ALA 143 Ca 0.58 -1.51 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 2rjs s ALA 143 Cb -0.36 -3.89 -0.01 0.00 0.00 0.00 0.00 23.12 18.86 2rjs s ALA 143 CO 0.45 -2.72 0.06 0.42 0.00 0.00 0.00 175.76 173.97 2rjs s ILE 144 N 4.33 4.03 0.32 0.00 1.01 -1.26 -4.79 121.20 124.85 2rjs s ILE 144 Ca 0.28 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 2rjs s ILE 144 Cb -0.14 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 2rjs s ILE 144 CO 0.15 0.26 1.09 -2.16 0.00 0.00 0.00 174.94 174.28 2rjs s PRO 145 N 1.55 4.47 0.43 2.79 0.04 -1.26 0.85 135.00 143.86 2rjs s PRO 145 Ca 0.05 1.73 0.23 0.00 0.04 0.00 0.00 61.00 63.05 2rjs s PRO 145 Cb -0.16 -2.98 0.90 0.00 0.04 0.00 0.00 34.50 32.31 2rjs s PRO 145 CO 0.02 0.07 1.82 0.93 0.04 0.00 0.00 177.00 179.89 2rjs h GLU 146 N 3.37 0.00 -6.04 4.56 5.08 -0.37 -3.43 114.58 117.75 2rjs h GLU 146 Ca -0.47 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.21 2rjs h GLU 146 Cb 1.21 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 2rjs h GLU 146 CO 0.65 0.26 -0.71 0.42 -1.00 0.00 0.00 179.01 178.63 2rjs s ILE 147 N -3.71 3.53 0.00 3.13 1.01 -0.32 -4.72 121.20 120.12 2rjs s ILE 147 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2rjs s ILE 147 Cb 0.11 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2rjs s ILE 147 CO 0.65 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.78 2rjs n GLY 148 N 2.46 1.78 3.75 6.18 0.00 -1.26 0.01 105.19 118.11 2rjs n GLY 148 Ca -0.18 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2rjs n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rjs s SER 149 N 0.00 7.13 0.00 1.61 0.15 -1.26 -4.68 113.70 116.65 2rjs s SER 149 Ca 0.00 2.30 0.17 0.00 0.70 0.00 0.00 55.95 59.11 2rjs s SER 149 Cb 0.00 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 62.16 2rjs s SER 149 CO 0.00 -0.29 1.39 0.18 1.20 0.00 0.00 173.24 175.72 2rjs n LEU 150 N 1.74 3.41 -2.87 3.45 4.77 -1.26 -4.84 117.00 121.41 2rjs n LEU 150 Ca 0.01 -1.97 -0.07 0.00 -0.03 0.00 0.00 56.01 53.96 2rjs n LEU 150 Cb 0.44 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2rjs n LEU 150 CO 0.55 0.85 -0.23 0.61 -1.33 0.00 0.00 177.39 177.85 2rjs n GLY 151 N 1.08 -2.34 2.68 -0.72 0.00 -1.26 -1.30 105.19 103.32 2rjs n GLY 151 Ca 0.18 0.87 -0.08 0.00 0.00 0.00 0.00 46.02 46.98 2rjs n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjs n ASP 155 N 0.21 1.44 0.04 1.61 8.00 -0.88 -2.03 116.55 124.94 2rjs n ASP 155 Ca 0.05 -2.65 -0.09 0.00 0.71 0.00 0.00 54.79 52.81 2rjs n ASP 155 Cb 0.30 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.82 2rjs n ASP 155 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2rjs h LEU 156 N 2.96 -0.95 -0.05 0.64 3.38 -1.83 -2.28 115.31 117.18 2rjs h LEU 156 Ca -0.10 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2rjs h LEU 156 Cb 1.19 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2rjs h LEU 156 CO 0.47 -0.31 -0.08 0.00 0.09 0.00 0.00 178.44 178.61 2rjs h ALA 157 N -0.91 -0.04 -0.81 1.53 0.00 -1.84 0.35 119.26 117.55 2rjs h ALA 157 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2rjs h ALA 157 Cb 0.43 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2rjs h ALA 157 CO -0.19 -0.56 0.50 -1.35 0.00 0.00 0.00 179.25 177.64 2rjs h PRO 158 N -0.12 0.89 0.00 0.00 0.11 -1.83 -0.41 132.00 130.65 2rjs h PRO 158 Ca 0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2rjs h PRO 158 Cb 0.19 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 2rjs h PRO 158 CO -0.13 0.59 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.14 2rjs h LEU 159 N 0.92 0.00 -0.70 2.35 3.38 -1.17 -2.99 115.31 117.11 2rjs h LEU 159 Ca 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 2rjs h LEU 159 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2rjs h LEU 159 CO -0.16 0.05 -0.57 0.28 0.09 0.00 0.00 178.44 178.13 2rjs h SER 160 N 0.00 0.00 0.97 -0.43 0.02 0.14 -0.45 113.55 113.79 2rjs h SER 160 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2rjs h SER 160 Cb 0.84 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2rjs h SER 160 CO 0.01 0.57 -0.69 0.45 -1.14 0.00 0.00 176.83 176.02 2rjs h HIS 161 N 0.00 0.00 0.28 3.45 3.86 -1.23 -2.18 115.15 119.34 2rjs h HIS 161 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2rjs h HIS 161 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2rjs h HIS 161 CO 0.00 0.69 -0.14 0.28 0.86 0.00 0.00 177.93 179.63 2rjs h VAL 162 N 0.00 0.46 -0.68 2.45 2.07 -1.44 -3.11 116.25 116.00 2rjs h VAL 162 Ca -0.01 -0.85 0.20 0.00 0.82 0.00 0.00 66.70 66.86 2rjs h VAL 162 Cb 1.36 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2rjs h VAL 162 CO 0.09 0.11 0.60 0.00 0.02 0.00 0.00 177.57 178.39 2rjs h ALA 163 N -0.66 2.51 0.23 1.67 0.00 -1.10 -0.90 119.26 121.00 2rjs h ALA 163 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2rjs h ALA 163 Cb 0.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2rjs h ALA 163 CO 0.06 -0.95 -0.11 0.77 0.00 0.00 0.00 179.25 179.03 2rjs h SER 164 N 0.00 -0.26 -0.65 0.00 0.02 -1.33 -3.07 113.55 108.26 2rjs h SER 164 Ca 0.32 -0.18 0.19 0.00 -0.84 0.00 0.00 61.79 61.28 2rjs h SER 164 Cb 1.51 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 2rjs h SER 164 CO -0.00 0.04 0.47 0.71 -1.14 0.00 0.00 176.83 176.90 2rjs h THR 165 N -0.58 0.68 -0.07 -2.27 1.35 -0.69 0.19 112.91 111.52 2rjs h THR 165 Ca -0.03 -0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.73 2rjs h THR 165 Cb 0.42 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 2rjs h THR 165 CO 0.05 0.00 -0.41 -0.07 -0.25 0.00 0.00 175.52 174.84 2rjs h LEU 166 N 0.00 0.16 -3.55 3.87 3.38 -1.50 -2.44 115.31 115.23 2rjs h LEU 166 Ca 0.31 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 2rjs h LEU 166 Cb 1.23 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2rjs h LEU 166 CO -0.00 0.56 0.18 2.30 0.09 0.00 0.00 178.44 181.57 2rjs n ILE 167 N -4.03 2.75 -1.11 1.22 -5.35 0.53 -1.14 119.36 112.22 2rjs n ILE 167 Ca -0.02 -1.46 -0.04 0.00 -0.27 0.00 0.00 62.75 60.97 2rjs n ILE 167 Cb 0.46 -0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 37.99 2rjs n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rjs n GLY 168 N 0.10 0.58 3.85 3.28 0.00 -0.92 -4.76 105.19 107.32 2rjs n GLY 168 Ca 0.35 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2rjs n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rjs s GLU 169 N -1.67 2.23 4.05 1.61 2.02 -0.44 -3.18 118.70 123.32 2rjs s GLU 169 Ca 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.73 2rjs s GLU 169 Cb 0.00 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.43 2rjs s GLU 169 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2rjs n GLY 170 N -1.56 0.63 3.14 -1.39 0.00 -1.26 -2.23 105.19 102.51 2rjs n GLY 170 Ca -0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2rjs n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rjs s TYR 171 N 0.00 0.25 0.28 1.61 2.02 -1.26 -2.64 117.35 117.61 2rjs s TYR 171 Ca 0.00 -0.66 0.11 0.00 -0.37 0.00 0.00 57.07 56.15 2rjs s TYR 171 Cb 0.00 -0.17 -0.05 0.00 -0.40 0.00 0.00 41.96 41.35 2rjs s TYR 171 CO 0.00 -0.44 -0.13 0.14 -1.57 0.00 0.00 175.55 173.55 2rjs s VAL 172 N -3.37 2.82 -0.60 0.71 -7.23 -0.20 -1.96 120.40 110.56 2rjs s VAL 172 Ca 0.01 -2.24 -0.20 0.00 -1.81 0.00 0.00 61.98 57.75 2rjs s VAL 172 Cb 0.03 -2.49 0.09 0.00 0.56 0.00 0.00 36.38 34.57 2rjs s VAL 172 CO -0.08 -0.39 0.75 -0.22 -0.31 0.00 0.00 175.10 174.85 2rjs s LEU 173 N -3.57 5.13 -0.28 1.32 2.96 0.34 -0.85 118.68 123.73 2rjs s LEU 173 Ca 0.31 -1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 52.90 2rjs s LEU 173 Cb -0.05 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.32 2rjs s LEU 173 CO 0.17 -1.17 -0.00 -0.60 -1.32 0.00 0.00 176.35 173.43 2rjs s ARG 174 N 2.98 2.77 -1.34 1.98 3.52 0.36 -4.58 118.95 124.65 2rjs s ARG 174 Ca 0.14 -1.04 -0.10 0.00 -0.13 0.00 0.00 55.73 54.60 2rjs s ARG 174 Cb -0.22 -3.15 0.08 0.00 -1.56 0.00 0.00 34.95 30.10 2rjs s ARG 174 CO 0.08 -0.48 0.55 -0.25 -0.81 0.00 0.00 175.30 174.38 2rjs n ASP 175 N 4.71 -3.78 0.00 -2.12 8.00 -1.26 -2.21 116.55 119.89 2rjs n ASP 175 Ca -0.15 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2rjs n ASP 175 Cb 0.46 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 2rjs n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rjs n GLY 176 N -1.23 0.38 3.50 0.44 0.00 -1.26 -5.06 105.19 101.96 2rjs n GLY 176 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2rjs n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rjs s ARG 177 N -0.95 1.71 -0.19 1.61 0.52 -0.94 -5.09 118.95 115.63 2rjs s ARG 177 Ca 0.00 -1.87 -0.15 0.00 -0.52 0.00 0.00 55.73 53.19 2rjs s ARG 177 Cb 0.00 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 2rjs s ARG 177 CO 0.00 0.12 0.36 -1.25 0.02 0.00 0.00 175.30 174.56 2rjs s PRO 178 N -3.64 4.20 -0.04 3.54 0.04 -1.26 -0.48 135.00 137.36 2rjs s PRO 178 Ca 0.31 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.57 2rjs s PRO 178 Cb 0.02 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2rjs s PRO 178 CO 0.15 0.05 -0.20 0.14 0.04 0.00 0.00 177.00 177.18 2rjs s VAL 179 N 1.04 1.60 -0.06 -0.36 -7.23 -0.03 -4.89 120.40 110.46 2rjs s VAL 179 Ca 0.18 -0.83 -0.41 0.00 -1.81 0.00 0.00 61.98 59.12 2rjs s VAL 179 Cb -0.14 -1.36 -0.20 0.00 0.56 0.00 0.00 36.38 35.24 2rjs s VAL 179 CO 0.07 0.45 1.15 -0.62 -0.31 0.00 0.00 175.10 175.85 2rjs n GLU 180 N 2.95 0.05 -0.32 4.82 1.02 -1.26 -1.03 120.64 126.87 2rjs n GLU 180 Ca -0.17 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.02 2rjs n GLU 180 Cb 0.53 -1.53 0.18 0.00 -0.02 0.00 0.00 31.44 30.60 2rjs n GLU 180 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2rjs h THR 181 N 3.29 0.95 -0.41 2.62 2.02 -1.74 -2.98 112.91 116.65 2rjs h THR 181 Ca -0.50 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 66.41 2rjs h THR 181 Cb 1.42 -0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 2rjs h THR 181 CO 0.70 0.17 -0.45 0.00 0.37 0.00 0.00 175.52 176.30 2rjs h ALA 182 N 1.47 -0.65 0.34 6.16 0.00 -1.84 0.21 119.26 124.95 2rjs h ALA 182 Ca 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 2rjs h ALA 182 Cb 0.35 1.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2rjs h ALA 182 CO -0.23 -0.88 -0.49 1.96 0.00 0.00 0.00 179.25 179.61 2rjs h GLN 183 N -0.26 -0.84 -0.82 0.00 4.20 -1.89 -1.80 115.11 113.70 2rjs h GLN 183 Ca 0.07 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.02 2rjs h GLN 183 Cb 0.45 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 2rjs h GLN 183 CO -0.53 -0.56 0.30 0.28 -0.67 0.00 0.00 178.83 177.65 2rjs h VAL 184 N -0.87 0.52 0.36 -0.54 2.07 -1.37 0.51 116.25 116.93 2rjs h VAL 184 Ca -0.03 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2rjs h VAL 184 Cb 0.80 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2rjs h VAL 184 CO -0.15 0.07 -0.17 -0.07 0.02 0.00 0.00 177.57 177.27 2rjs h LEU 185 N 0.37 -0.41 -1.78 2.57 3.38 -0.28 -2.41 115.31 116.76 2rjs h LEU 185 Ca 0.48 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2rjs h LEU 185 Cb 0.85 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2rjs h LEU 185 CO -0.50 -0.11 -0.04 0.00 0.09 0.00 0.00 178.44 177.88 2rjs h ALA 186 N -0.18 1.82 0.00 1.53 0.00 -0.88 -0.21 119.26 121.34 2rjs h ALA 186 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 186 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2rjs h ALA 186 CO 0.08 0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.56 2rjs n GLU 187 N -4.44 0.77 0.00 0.00 2.13 0.18 -2.79 120.64 116.49 2rjs n GLU 187 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2rjs n GLU 187 Cb 0.15 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2rjs n GLU 187 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2rjs n ARG 188 N -0.95 -0.25 -2.62 5.31 1.74 -0.15 -5.01 116.66 114.72 2rjs n ARG 188 Ca 0.17 -0.27 -0.06 0.00 -0.77 0.00 0.00 57.85 56.92 2rjs n ARG 188 Cb 0.08 -0.75 0.03 0.00 -1.02 0.00 0.00 32.46 30.79 2rjs n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rjs n GLY 189 N 0.04 0.32 3.05 -0.13 0.00 -0.82 -5.05 105.19 102.60 2rjs n GLY 189 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2rjs n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rjs s ILE 190 N -3.11 1.37 -0.22 -0.61 1.01 -0.80 -5.04 121.20 113.79 2rjs s ILE 190 Ca 0.08 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 2rjs s ILE 190 Cb -0.04 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 2rjs s ILE 190 CO 0.23 0.41 0.61 -1.61 0.00 0.00 0.00 174.94 174.58 2rjs s GLU 191 N 0.80 4.16 0.64 2.79 8.01 -1.26 -4.19 118.70 129.64 2rjs s GLU 191 Ca -0.11 0.55 -0.18 0.00 0.01 0.00 0.00 54.97 55.24 2rjs s GLU 191 Cb -0.16 -3.61 -0.02 0.00 -4.31 0.00 0.00 34.13 26.03 2rjs s GLU 191 CO 0.02 -0.30 1.15 -0.35 0.01 0.00 0.00 175.26 175.79 2rjs n PRO 192 N 5.29 1.00 -2.20 0.39 -0.04 -1.26 -4.99 135.00 133.18 2rjs n PRO 192 Ca -0.02 0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 63.56 2rjs n PRO 192 Cb 0.49 -2.38 0.05 0.00 -0.04 0.00 0.00 33.50 31.63 2rjs n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rjs s LEU 193 N -3.42 2.98 -0.15 1.53 1.43 -0.30 -4.93 118.68 115.82 2rjs s LEU 193 Ca 0.80 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 2rjs s LEU 193 Cb -0.39 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.39 2rjs s LEU 193 CO 0.43 -1.35 -0.17 -0.70 0.23 0.00 0.00 176.35 174.78 2rjs s GLU 194 N -5.19 2.64 -0.17 1.70 2.12 -1.26 -4.37 118.70 114.17 2rjs s GLU 194 Ca 0.57 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.91 2rjs s GLU 194 Cb -0.11 -2.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 2rjs s GLU 194 CO 0.47 -0.18 1.48 -0.51 -0.54 0.00 0.00 175.26 175.97 2rjs s LEU 195 N 1.27 4.08 0.00 2.70 1.43 -1.26 -5.03 118.68 121.87 2rjs s LEU 195 Ca 0.02 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2rjs s LEU 195 Cb -0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2rjs s LEU 195 CO -0.09 -1.01 0.00 0.54 0.23 0.00 0.00 176.35 176.02 2rjs n ARG 196 N 7.17 1.82 -1.67 1.70 1.74 -1.26 -4.13 116.66 122.03 2rjs n ARG 196 Ca 0.16 0.00 -0.49 0.00 -0.77 0.00 0.00 57.85 56.76 2rjs n ARG 196 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.84 2rjs n ARG 196 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2rjs n PHE 197 N -0.23 2.21 -1.56 -1.55 3.72 -1.26 -2.28 117.46 116.51 2rjs n PHE 197 Ca 0.00 0.20 -0.17 0.00 -0.05 0.00 0.00 57.45 57.43 2rjs n PHE 197 Cb 0.00 -2.57 -0.07 0.00 -0.94 0.00 0.00 39.48 35.90 2rjs n PHE 197 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2rjs n LYS 198 N 4.95 -1.41 0.01 -1.08 4.81 -1.26 -4.82 118.16 119.35 2rjs n LYS 198 Ca 0.20 1.00 -0.14 0.00 -0.87 0.00 0.00 58.31 58.51 2rjs n LYS 198 Cb 0.27 -5.34 -0.14 0.00 0.02 0.00 0.00 35.03 29.84 2rjs n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2rjs h GLU 199 N 0.00 0.12 -0.09 1.64 5.08 -1.81 -2.96 114.58 116.57 2rjs h GLU 199 Ca -0.36 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 2rjs h GLU 199 Cb 1.13 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2rjs h GLU 199 CO 0.51 0.84 -0.23 0.78 -1.00 0.00 0.00 179.01 179.92 2rjs h GLY 200 N 2.46 0.35 1.00 -3.84 0.00 -1.83 -2.81 103.07 98.40 2rjs h GLY 200 Ca -0.30 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.61 2rjs h GLY 200 CO 0.10 0.38 0.35 -2.00 0.00 0.00 0.00 176.54 175.38 2rjs h LEU 201 N -0.15 0.61 -1.23 3.11 5.85 -1.86 -2.79 115.31 118.85 2rjs h LEU 201 Ca -0.00 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2rjs h LEU 201 Cb 0.83 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2rjs h LEU 201 CO 0.05 0.44 0.09 0.00 -0.34 0.00 0.00 178.44 178.68 2rjs h ALA 202 N 1.20 1.39 -0.08 1.25 0.00 -1.57 0.29 119.26 121.73 2rjs h ALA 202 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2rjs h ALA 202 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2rjs h ALA 202 CO -0.04 0.44 -0.47 -0.07 0.00 0.00 0.00 179.25 179.11 2rjs h LEU 203 N 0.61 0.21 0.00 0.00 3.38 -1.23 -3.31 115.31 114.96 2rjs h LEU 203 Ca 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2rjs h LEU 203 Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2rjs h LEU 203 CO -0.00 0.66 -0.66 2.30 0.09 0.00 0.00 178.44 180.82 2rjs n ILE 204 N -3.98 0.00 -2.74 1.22 -5.35 -1.05 -4.84 119.36 102.62 2rjs n ILE 204 Ca -0.02 -0.19 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 2rjs n ILE 204 Cb 0.52 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 2rjs n ILE 204 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2rjs n ASN 205 N -1.34 5.44 -1.60 7.28 5.15 0.10 -4.00 115.26 126.30 2rjs n ASN 205 Ca 0.02 -3.13 -0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2rjs n ASN 205 Cb 0.21 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.01 2rjs n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rjs n GLY 206 N 2.83 0.95 1.84 8.20 0.00 -1.26 -3.44 105.19 114.31 2rjs n GLY 206 Ca 0.34 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 2rjs n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rjs n THR 207 N -0.19 2.98 0.20 2.61 -2.24 -1.26 -2.07 114.28 114.31 2rjs n THR 207 Ca -0.00 -2.38 0.04 0.00 -2.27 0.00 0.00 64.05 59.44 2rjs n THR 207 Cb 0.14 -0.48 0.43 0.00 -2.10 0.00 0.00 70.33 68.32 2rjs n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2rjs h SER 208 N 1.11 0.00 0.35 3.42 0.02 -1.90 0.61 113.55 117.15 2rjs h SER 208 Ca 0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 2rjs h SER 208 Cb 2.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.78 2rjs h SER 208 CO 0.87 0.28 -0.17 1.23 -1.14 0.00 0.00 176.83 177.90 2rjs h GLY 209 N 0.83 -0.49 1.51 -3.77 0.00 -1.86 0.13 103.07 99.43 2rjs h GLY 209 Ca -0.00 0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 2rjs h GLY 209 CO 0.04 -0.18 -0.43 0.00 0.00 0.00 0.00 176.54 175.97 2rjs h MET 210 N -0.77 0.53 -0.07 4.80 -0.00 -1.88 -1.28 114.93 116.26 2rjs h MET 210 Ca -0.05 -0.28 -0.16 0.00 -0.00 0.00 0.00 59.70 59.21 2rjs h MET 210 Cb 0.51 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.11 2rjs h MET 210 CO 0.08 0.86 -0.65 1.15 -0.00 0.00 0.00 176.91 178.35 2rjs h THR 211 N 0.43 1.39 0.28 -0.10 2.02 -0.91 0.36 112.91 116.38 2rjs h THR 211 Ca 0.03 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.13 2rjs h THR 211 Cb 0.93 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2rjs h THR 211 CO 0.08 0.61 -0.13 1.23 0.37 0.00 0.00 175.52 177.68 2rjs h GLY 212 N 1.45 -0.39 1.00 2.16 0.00 -0.60 -2.18 103.07 104.51 2rjs h GLY 212 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2rjs h GLY 212 CO 0.10 -0.14 0.36 -2.00 0.00 0.00 0.00 176.54 174.87 2rjs h LEU 213 N -0.99 0.64 -0.95 3.11 5.85 -1.31 -1.95 115.31 119.70 2rjs h LEU 213 Ca -0.04 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.80 2rjs h LEU 213 Cb 0.46 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2rjs h LEU 213 CO 0.06 0.47 0.56 1.23 -0.34 0.00 0.00 178.44 180.42 2rjs h GLY 214 N 0.75 1.58 0.93 3.75 0.00 -0.35 -0.94 103.07 108.79 2rjs h GLY 214 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2rjs h GLY 214 CO -0.04 0.05 -0.03 1.76 0.00 0.00 0.00 176.54 178.28 2rjs h SER 215 N 0.82 -0.09 -0.60 0.19 0.02 -0.68 0.82 113.55 114.03 2rjs h SER 215 Ca 0.50 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.48 2rjs h SER 215 Cb 0.62 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 2rjs h SER 215 CO -0.32 -0.05 0.38 -0.07 -1.14 0.00 0.00 176.83 175.63 2rjs h LEU 216 N -0.07 0.63 -0.17 5.07 3.38 -1.05 -1.25 115.31 121.85 2rjs h LEU 216 Ca 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2rjs h LEU 216 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2rjs h LEU 216 CO -0.02 0.44 0.03 0.58 0.09 0.00 0.00 178.44 179.56 2rjs h VAL 217 N 0.75 1.22 -0.35 1.22 2.07 -0.88 -1.40 116.25 118.89 2rjs h VAL 217 Ca 0.24 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2rjs h VAL 217 Cb -0.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2rjs h VAL 217 CO -0.09 0.22 0.07 0.58 0.02 0.00 0.00 177.57 178.37 2rjs h VAL 218 N 0.07 1.23 -0.44 2.57 2.07 -0.75 0.43 116.25 121.43 2rjs h VAL 218 Ca 0.05 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2rjs h VAL 218 Cb 0.30 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2rjs h VAL 218 CO 0.00 0.27 0.09 1.23 0.02 0.00 0.00 177.57 179.18 2rjs h GLY 219 N 0.41 0.53 1.90 2.17 0.00 -1.20 -0.67 103.07 106.22 2rjs h GLY 219 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 2rjs h GLY 219 CO 0.00 -0.05 -0.58 3.21 0.00 0.00 0.00 176.54 179.13 2rjs h ARG 220 N 0.23 0.10 -0.78 4.80 3.08 -1.04 -2.98 114.38 117.78 2rjs h ARG 220 Ca 0.22 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2rjs h ARG 220 Cb 0.27 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2rjs h ARG 220 CO -0.28 0.65 0.47 0.00 -1.07 0.00 0.00 179.97 179.74 2rjs h ALA 221 N 1.34 1.00 -0.86 0.04 0.00 0.93 -0.72 119.26 120.98 2rjs h ALA 221 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 221 Cb 1.04 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2rjs h ALA 221 CO 0.08 0.47 0.43 -0.07 0.00 0.00 0.00 179.25 180.16 2rjs h LEU 222 N 1.07 1.11 -1.01 0.00 3.38 -1.02 -1.51 115.31 117.34 2rjs h LEU 222 Ca 0.28 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2rjs h LEU 222 Cb -0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2rjs h LEU 222 CO -0.05 0.93 -0.45 -0.33 0.09 0.00 0.00 178.44 178.62 2rjs h GLU 223 N 1.22 0.00 -0.24 1.13 5.08 -1.33 -2.22 114.58 118.22 2rjs h GLU 223 Ca 0.30 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2rjs h GLU 223 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2rjs h GLU 223 CO -0.04 0.45 -0.40 0.37 -1.00 0.00 0.00 179.01 178.39 2rjs h GLN 224 N 0.00 0.55 -0.50 2.33 4.15 -0.45 1.00 115.11 122.18 2rjs h GLN 224 Ca -0.00 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.05 2rjs h GLN 224 Cb 0.88 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 2rjs h GLN 224 CO 0.06 0.86 -0.01 0.00 -1.93 0.00 0.00 178.83 177.81 2rjs h ALA 225 N 1.10 0.68 -0.55 3.38 0.00 -0.96 0.48 119.26 123.39 2rjs h ALA 225 Ca 0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2rjs h ALA 225 Cb 0.90 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2rjs h ALA 225 CO 0.08 0.50 0.01 1.96 0.00 0.00 0.00 179.25 181.80 2rjs h GLN 226 N 0.76 0.93 0.00 0.00 4.20 -1.14 0.05 115.11 119.91 2rjs h GLN 226 Ca 0.14 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 2rjs h GLN 226 Cb 0.53 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2rjs h GLN 226 CO 0.03 0.91 -0.43 1.96 -0.67 0.00 0.00 178.83 180.63 2rjs h GLN 227 N 0.86 0.00 -0.34 1.46 4.20 -0.46 -0.35 115.11 120.48 2rjs h GLN 227 Ca 0.16 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 2rjs h GLN 227 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2rjs h GLN 227 CO 0.02 0.43 -0.32 0.00 -0.67 0.00 0.00 178.83 178.29 2rjs h ALA 228 N 1.57 0.50 -0.49 3.87 0.00 0.48 -2.45 119.26 122.74 2rjs h ALA 228 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2rjs h ALA 228 Cb 1.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2rjs h ALA 228 CO 0.06 0.55 0.20 0.93 0.00 0.00 0.00 179.25 180.98 2rjs h GLU 229 N 0.61 0.74 0.56 0.00 5.08 -0.68 -0.37 114.58 120.51 2rjs h GLU 229 Ca 0.06 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2rjs h GLU 229 Cb 0.91 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2rjs h GLU 229 CO 0.08 0.66 -0.46 0.82 -1.00 0.00 0.00 179.01 179.11 2rjs h ILE 230 N 0.66 0.09 -0.79 3.13 2.04 -0.94 0.77 117.51 122.46 2rjs h ILE 230 Ca 0.16 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 2rjs h ILE 230 Cb 0.20 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 2rjs h ILE 230 CO -0.01 0.00 0.31 1.62 0.00 0.00 0.00 178.15 180.07 2rjs h VAL 231 N -1.00 1.26 -0.86 1.67 3.04 -1.43 -1.16 116.25 117.77 2rjs h VAL 231 Ca -0.07 -0.82 0.12 0.00 -1.01 0.00 0.00 66.70 64.92 2rjs h VAL 231 Cb 0.84 0.32 -0.06 0.00 -2.01 0.00 0.00 31.29 30.38 2rjs h VAL 231 CO -0.01 0.33 0.56 0.74 -1.01 0.00 0.00 177.57 178.19 2rjs h THR 232 N 1.14 0.90 -0.26 3.17 2.02 -0.86 0.21 112.91 119.23 2rjs h THR 232 Ca 0.26 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 2rjs h THR 232 Cb 0.22 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2rjs h THR 232 CO -0.02 0.14 -0.06 0.00 0.37 0.00 0.00 175.52 175.95 2rjs h ALA 233 N 1.59 0.36 -0.58 6.16 0.00 0.18 -1.27 119.26 125.70 2rjs h ALA 233 Ca 0.42 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2rjs h ALA 233 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2rjs h ALA 233 CO -0.18 0.17 0.34 1.25 0.00 0.00 0.00 179.25 180.83 2rjs h LEU 234 N 0.26 0.70 -0.48 0.00 5.85 -0.01 -2.42 115.31 119.22 2rjs h LEU 234 Ca 0.07 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2rjs h LEU 234 Cb 0.53 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2rjs h LEU 234 CO 0.03 0.56 0.28 0.25 -0.34 0.00 0.00 178.44 179.22 2rjs h LEU 235 N 0.79 0.58 -1.63 2.25 6.46 -0.56 -0.87 115.31 122.32 2rjs h LEU 235 Ca 0.21 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2rjs h LEU 235 Cb -0.01 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2rjs h LEU 235 CO -0.04 0.48 -0.07 0.40 -0.62 0.00 0.00 178.44 178.59 2rjs h ILE 236 N 0.63 1.12 0.06 4.05 2.04 -0.94 -1.49 117.51 122.97 2rjs h ILE 236 Ca 0.17 -0.49 -0.27 0.00 1.00 0.00 0.00 64.86 65.27 2rjs h ILE 236 Cb 0.01 1.11 0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2rjs h ILE 236 CO -0.03 0.15 -1.09 -0.33 0.00 0.00 0.00 178.15 176.85 2rjs h GLU 237 N 0.15 0.63 0.00 2.37 5.08 -1.00 0.27 114.58 122.09 2rjs h GLU 237 Ca 0.04 -0.76 -0.04 0.00 -1.00 0.00 0.00 59.36 57.59 2rjs h GLU 237 Cb 0.22 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2rjs h GLU 237 CO 0.01 1.33 -0.21 0.00 -1.00 0.00 0.00 179.01 179.15 2rjs h ALA 238 N 0.33 1.39 -0.29 3.43 0.00 -0.76 -2.14 119.26 121.22 2rjs h ALA 238 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2rjs h ALA 238 Cb 1.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2rjs h ALA 238 CO 0.21 0.26 0.00 1.55 0.00 0.00 0.00 179.25 181.27 2rjs n VAL 239 N -3.90 0.37 -3.40 0.00 3.14 -0.60 -4.94 118.33 109.00 2rjs n VAL 239 Ca -0.02 -0.69 -0.18 0.00 -2.96 0.00 0.00 64.34 60.50 2rjs n VAL 239 Cb 0.30 1.12 0.08 0.00 -1.06 0.00 0.00 33.84 34.28 2rjs n VAL 239 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2rjs n ARG 240 N 1.43 -6.60 -1.66 1.45 5.12 -0.81 -4.97 116.66 110.62 2rjs n ARG 240 Ca 0.18 0.81 -0.29 0.00 -1.93 0.00 0.00 57.85 56.61 2rjs n ARG 240 Cb 0.60 -5.72 0.12 0.00 -1.16 0.00 0.00 32.46 26.30 2rjs n ARG 240 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2rjs s GLY 241 N -4.09 1.59 0.26 -0.13 0.00 0.93 -4.46 107.32 101.41 2rjs s GLY 241 Ca 0.12 -0.59 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 2rjs s GLY 241 CO 0.70 -0.05 0.76 -0.45 0.00 0.00 0.00 173.10 174.06 2rjs s SER 242 N -4.23 7.03 0.18 1.64 0.15 -1.26 -1.83 113.70 115.37 2rjs s SER 242 Ca 0.64 1.44 0.23 0.00 0.70 0.00 0.00 55.95 58.96 2rjs s SER 242 Cb -0.13 -2.43 0.22 0.00 -1.71 0.00 0.00 66.02 61.97 2rjs s SER 242 CO 0.52 -0.03 1.25 0.71 1.20 0.00 0.00 173.24 176.88 2rjs h THR 243 N 2.56 0.00 -0.82 6.45 1.35 -1.71 -3.39 112.91 117.36 2rjs h THR 243 Ca -0.48 -0.71 0.19 0.00 -0.55 0.00 0.00 66.41 64.86 2rjs h THR 243 Cb 1.19 1.30 -0.15 0.00 -1.73 0.00 0.00 68.15 68.76 2rjs h THR 243 CO 0.65 0.00 -0.01 -1.28 -0.25 0.00 0.00 175.52 174.63 2rjs h SER 244 N 0.00 -0.41 -0.51 5.36 0.87 -1.94 -1.22 113.55 115.70 2rjs h SER 244 Ca 0.00 0.22 0.15 0.00 -1.23 0.00 0.00 61.79 60.93 2rjs h SER 244 Cb 0.86 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 2rjs h SER 244 CO 0.00 -0.22 0.54 -0.65 -0.53 0.00 0.00 176.83 175.96 2rjs h PRO 245 N 0.08 0.00 -0.19 2.24 0.11 -1.89 -2.00 132.00 130.34 2rjs h PRO 245 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2rjs h PRO 245 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2rjs h PRO 245 CO -0.74 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.24 2rjs n PHE 246 N -3.70 0.23 -1.77 0.65 3.72 -0.46 -4.91 117.46 111.22 2rjs n PHE 246 Ca 0.10 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 2rjs n PHE 246 Cb 0.74 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.26 2rjs n PHE 246 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2rjs s LEU 247 N -1.51 4.34 0.36 4.37 1.43 -0.76 -4.76 118.68 122.15 2rjs s LEU 247 Ca 0.29 2.95 0.14 0.00 -1.03 0.00 0.00 54.13 56.48 2rjs s LEU 247 Cb 0.18 -3.63 0.98 0.00 0.03 0.00 0.00 46.19 43.75 2rjs s LEU 247 CO 0.26 -0.93 1.76 0.00 0.23 0.00 0.00 176.35 177.68 2rjs h ALA 248 N 5.00 2.00 -0.80 4.21 0.00 -1.93 -1.72 119.26 126.02 2rjs h ALA 248 Ca -0.47 0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.63 2rjs h ALA 248 Cb 1.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2rjs h ALA 248 CO 0.81 -0.42 0.53 1.05 0.00 0.00 0.00 179.25 181.21 2rjs h GLU 249 N 0.51 0.67 0.00 0.00 9.09 -1.97 -0.70 114.58 122.18 2rjs h GLU 249 Ca 0.60 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.97 2rjs h GLU 249 Cb 1.31 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2rjs h GLU 249 CO -0.36 0.44 0.00 0.41 0.05 0.00 0.00 179.01 179.55 2rjs n GLY 250 N -1.45 -1.27 1.11 1.06 0.00 -0.65 -1.58 105.19 102.41 2rjs n GLY 250 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2rjs n GLY 250 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rjs n HIS 251 N -2.04 -0.05 -0.34 1.61 8.25 -0.74 -3.42 115.22 118.48 2rjs n HIS 251 Ca 0.03 0.01 0.26 0.00 -0.26 0.00 0.00 57.72 57.76 2rjs n HIS 251 Cb 0.24 0.05 0.56 0.00 1.12 0.00 0.00 29.99 31.96 2rjs n HIS 251 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2rjs h ASP 252 N 0.00 0.36 0.00 0.41 5.19 -1.37 -1.71 116.42 119.30 2rjs h ASP 252 Ca 0.00 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 2rjs h ASP 252 Cb 0.00 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2rjs h ASP 252 CO 0.00 0.04 -1.24 -0.38 -3.12 0.00 0.00 179.24 174.54 2rjs n ILE 253 N -4.58 1.45 0.03 0.35 5.41 -1.19 -4.57 119.36 116.26 2rjs n ILE 253 Ca 0.27 0.05 -0.11 0.00 1.00 0.00 0.00 62.75 63.96 2rjs n ILE 253 Cb 1.00 -2.18 0.01 0.00 -0.71 0.00 0.00 39.64 37.77 2rjs n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rjs h ALA 254 N -0.90 0.56 -1.72 -1.39 0.00 -1.34 -3.41 119.26 111.05 2rjs h ALA 254 Ca -0.14 -0.59 -0.45 0.00 0.00 0.00 0.00 54.91 53.72 2rjs h ALA 254 Cb 1.05 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.47 2rjs h ALA 254 CO -0.09 0.74 -0.86 -2.13 0.00 0.00 0.00 179.25 176.91 2rjs n ARG 255 N -3.87 0.45 -0.32 0.00 0.63 -0.80 -4.97 116.66 107.79 2rjs n ARG 255 Ca -0.05 -2.79 -0.04 0.00 -0.92 0.00 0.00 57.85 54.05 2rjs n ARG 255 Cb 0.70 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 32.07 2rjs n ARG 255 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2rjs n PRO 256 N 2.36 0.67 -2.83 -0.14 -0.04 -0.71 -4.64 135.00 129.68 2rjs n PRO 256 Ca 0.23 -0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 2rjs n PRO 256 Cb 0.53 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 2rjs n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2rjs s HIS 257 N 2.48 3.78 0.12 0.54 3.76 -1.26 -4.96 115.29 119.74 2rjs s HIS 257 Ca 0.21 1.67 -0.33 0.00 -0.15 0.00 0.00 55.06 56.46 2rjs s HIS 257 Cb 0.10 -2.96 -0.11 0.00 1.11 0.00 0.00 32.58 30.72 2rjs s HIS 257 CO -0.00 0.23 1.56 1.49 -0.85 0.00 0.00 174.74 177.17 2rjs h GLU 258 N 5.64 -0.60 -0.92 1.40 4.81 -1.94 -2.05 114.58 120.93 2rjs h GLU 258 Ca -0.43 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 58.93 2rjs h GLU 258 Cb 1.21 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.65 2rjs h GLU 258 CO 0.71 -0.40 0.56 0.78 -0.73 0.00 0.00 179.01 179.94 2rjs h GLY 259 N -0.62 1.45 1.00 1.92 0.00 -1.93 -1.66 103.07 103.23 2rjs h GLY 259 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2rjs h GLY 259 CO -0.37 0.18 0.34 -1.61 0.00 0.00 0.00 176.54 175.08 2rjs h GLN 260 N 0.94 0.89 -0.44 4.80 4.15 -1.61 -1.11 115.11 122.72 2rjs h GLN 260 Ca 0.44 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 2rjs h GLN 260 Cb 0.36 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2rjs h GLN 260 CO -0.24 0.68 0.21 0.82 -1.93 0.00 0.00 178.83 178.37 2rjs h ILE 261 N 0.86 1.19 -0.69 2.39 2.04 -0.79 -0.72 117.51 121.79 2rjs h ILE 261 Ca 0.22 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2rjs h ILE 261 Cb 0.06 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2rjs h ILE 261 CO -0.03 0.21 0.41 0.44 0.00 0.00 0.00 178.15 179.17 2rjs h ASP 262 N 0.57 0.84 -0.25 1.72 3.32 -0.82 0.14 116.42 121.95 2rjs h ASP 262 Ca 0.15 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2rjs h ASP 262 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2rjs h ASP 262 CO -0.02 0.66 -0.15 0.74 -1.72 0.00 0.00 179.24 178.75 2rjs h THR 263 N 0.94 1.31 -0.79 0.35 2.02 -1.06 -0.87 112.91 114.81 2rjs h THR 263 Ca 0.25 -1.25 0.05 0.00 0.77 0.00 0.00 66.41 66.23 2rjs h THR 263 Cb -0.02 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 2rjs h THR 263 CO -0.05 0.39 0.49 0.00 0.37 0.00 0.00 175.52 176.72 2rjs h ALA 264 N 0.71 1.05 -0.60 6.16 0.00 -0.97 0.11 119.26 125.73 2rjs h ALA 264 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2rjs h ALA 264 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2rjs h ALA 264 CO 0.04 0.25 0.10 0.00 0.00 0.00 0.00 179.25 179.63 2rjs h ALA 265 N 1.36 0.80 -0.39 0.00 0.00 -0.75 -2.17 119.26 118.11 2rjs h ALA 265 Ca 0.33 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2rjs h ALA 265 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2rjs h ALA 265 CO -0.15 0.55 -0.28 -0.91 0.00 0.00 0.00 179.25 178.46 2rjs h ASN 266 N 0.90 0.86 -0.08 0.00 2.35 -0.49 -2.56 115.58 116.55 2rjs h ASN 266 Ca 0.18 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 2rjs h ASN 266 Cb 0.42 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2rjs h ASN 266 CO 0.01 1.08 -0.12 0.24 -1.65 0.00 0.00 177.43 176.99 2rjs h MET 267 N 0.71 0.41 -0.21 0.81 2.86 -0.64 0.46 114.93 119.33 2rjs h MET 267 Ca 0.08 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 2rjs h MET 267 Cb 0.82 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 2rjs h MET 267 CO 0.07 0.53 -0.60 0.00 1.06 0.00 0.00 176.91 177.98 2rjs h ARG 268 N 0.38 0.69 -0.13 1.72 3.08 -1.28 -2.77 114.38 116.07 2rjs h ARG 268 Ca 0.07 -0.46 -0.19 0.00 0.07 0.00 0.00 59.98 59.47 2rjs h ARG 268 Cb 0.45 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2rjs h ARG 268 CO 0.03 1.08 -0.71 0.00 -1.07 0.00 0.00 179.97 179.30 2rjs h ALA 269 N 0.81 0.52 -0.45 0.04 0.00 -1.12 -2.35 119.26 116.71 2rjs h ALA 269 Ca -0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 2rjs h ALA 269 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2rjs h ALA 269 CO 0.12 0.72 -0.21 -0.07 0.00 0.00 0.00 179.25 179.81 2rjs h LEU 270 N 0.40 0.96 -0.25 0.00 3.38 -0.92 -3.03 115.31 115.87 2rjs h LEU 270 Ca -0.03 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2rjs h LEU 270 Cb 1.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2rjs h LEU 270 CO 0.13 1.15 -0.22 0.23 0.09 0.00 0.00 178.44 179.83 2rjs n MET 271 N -4.16 0.54 -1.63 1.13 2.81 -1.05 -4.28 117.12 110.48 2rjs n MET 271 Ca -0.01 -0.25 -0.56 0.00 -1.81 0.00 0.00 57.70 55.08 2rjs n MET 271 Cb 0.45 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.39 2rjs n MET 271 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2rjs n ARG 272 N -1.01 0.92 -1.46 0.03 0.63 -0.88 -1.59 116.66 113.29 2rjs n ARG 272 Ca 0.11 0.33 -0.04 0.00 -0.92 0.00 0.00 57.85 57.34 2rjs n ARG 272 Cb 0.31 -1.96 -0.01 0.00 0.45 0.00 0.00 32.46 31.25 2rjs n ARG 272 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2rjs n GLY 273 N 2.99 0.52 3.79 5.14 0.00 -1.26 -4.35 105.19 112.03 2rjs n GLY 273 Ca 0.22 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2rjs n GLY 273 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rjs s SER 274 N -2.90 7.25 0.00 1.61 0.15 -0.62 -4.41 113.70 114.77 2rjs s SER 274 Ca 0.00 1.57 0.23 0.00 0.70 0.00 0.00 55.95 58.45 2rjs s SER 274 Cb 0.00 -2.48 0.41 0.00 -1.71 0.00 0.00 66.02 62.24 2rjs s SER 274 CO 0.00 0.11 1.38 0.61 1.20 0.00 0.00 173.24 176.54 2rjs n GLY 275 N 1.15 1.71 0.09 9.45 0.00 -0.04 -4.43 105.19 113.12 2rjs n GLY 275 Ca -0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 2rjs n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rjs n LEU 276 N 1.45 0.50 -4.79 0.99 4.77 -1.24 -4.99 117.00 113.70 2rjs n LEU 276 Ca 0.19 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.83 2rjs n LEU 276 Cb 0.60 0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.95 2rjs n LEU 276 CO 0.15 0.48 0.72 0.42 -1.33 0.00 0.00 177.39 177.83 2rjs s THR 277 N -2.40 3.60 0.07 -5.08 -4.23 -1.26 -4.47 115.64 101.87 2rjs s THR 277 Ca -0.12 0.64 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 2rjs s THR 277 Cb 0.05 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2rjs s THR 277 CO 0.65 -0.56 -0.16 0.68 -0.54 0.00 0.00 174.62 174.69 2rjs s VAL 278 N -2.66 2.93 0.25 2.29 -7.23 -0.76 -4.99 120.40 110.24 2rjs s VAL 278 Ca 0.63 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 2rjs s VAL 278 Cb -0.17 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 2rjs s VAL 278 CO 0.46 0.23 0.53 -1.61 -0.31 0.00 0.00 175.10 174.41 2rjs s GLU 279 N -1.78 3.70 0.26 4.82 0.41 -1.26 -1.75 118.70 123.10 2rjs s GLU 279 Ca 0.17 0.11 -0.02 0.00 -0.41 0.00 0.00 54.97 54.82 2rjs s GLU 279 Cb -0.11 -2.67 0.46 0.00 -1.78 0.00 0.00 34.13 30.04 2rjs s GLU 279 CO 0.08 0.28 1.80 1.25 -0.49 0.00 0.00 175.26 178.19 2rjs h HIS 280 N 2.17 0.88 -0.23 1.61 -0.00 -1.96 -1.86 115.15 115.76 2rjs h HIS 280 Ca -0.47 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 59.99 2rjs h HIS 280 Cb 1.18 -0.26 -0.07 0.00 -0.00 0.00 0.00 27.41 28.26 2rjs h HIS 280 CO 0.60 0.32 -0.21 0.00 -0.00 0.00 0.00 177.93 178.64 2rjs h ALA 281 N 1.50 -0.08 -0.38 5.26 0.00 -1.99 0.23 119.26 123.80 2rjs h ALA 281 Ca 0.43 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 2rjs h ALA 281 Cb 0.47 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2rjs h ALA 281 CO -0.28 -0.63 0.22 -0.44 0.00 0.00 0.00 179.25 178.12 2rjs h ASP 282 N -0.21 0.47 0.30 0.00 3.32 -1.79 -1.16 116.42 117.35 2rjs h ASP 282 Ca 0.13 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2rjs h ASP 282 Cb 0.42 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2rjs h ASP 282 CO -0.36 0.40 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.19 2rjs h LEU 283 N 0.49 -0.81 -1.26 1.55 3.38 -0.86 0.23 115.31 118.03 2rjs h LEU 283 Ca 0.14 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2rjs h LEU 283 Cb 0.03 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2rjs h LEU 283 CO -0.02 -0.43 0.58 -0.09 0.09 0.00 0.00 178.44 178.57 2rjs h ARG 284 N -0.63 0.70 -0.05 1.13 2.43 -0.87 0.99 114.38 118.08 2rjs h ARG 284 Ca -0.01 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.90 2rjs h ARG 284 Cb 0.58 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2rjs h ARG 284 CO -0.06 0.46 -0.79 0.00 -1.51 0.00 0.00 179.97 178.07 2rjs h ARG 285 N 0.72 0.63 -0.49 0.20 3.08 -0.71 -1.62 114.38 116.18 2rjs h ARG 285 Ca 0.45 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2rjs h ARG 285 Cb 0.70 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2rjs h ARG 285 CO -0.21 1.21 0.27 1.49 -1.07 0.00 0.00 179.97 181.66 2rjs h GLU 286 N 0.27 0.69 -0.41 0.04 4.81 0.30 -1.56 114.58 118.72 2rjs h GLU 286 Ca -0.08 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 2rjs h GLU 286 Cb 1.45 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2rjs h GLU 286 CO 0.16 0.54 -0.14 1.25 -0.73 0.00 0.00 179.01 180.09 2rjs h LEU 287 N 0.65 0.82 -1.06 1.64 5.85 -0.88 -2.71 115.31 119.62 2rjs h LEU 287 Ca 0.17 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2rjs h LEU 287 Cb 0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2rjs h LEU 287 CO -0.03 1.02 0.20 -0.61 -0.34 0.00 0.00 178.44 178.68 2rjs h GLN 288 N 0.62 0.86 0.00 1.25 5.75 -1.14 -0.10 115.11 122.36 2rjs h GLN 288 Ca 0.10 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2rjs h GLN 288 Cb 0.68 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 2rjs h GLN 288 CO 0.05 0.74 -0.09 -0.22 -2.65 0.00 0.00 178.83 176.65 2rjs h LYS 289 N 0.84 0.00 -0.01 1.69 1.63 -1.13 -2.25 116.57 117.34 2rjs h LYS 289 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2rjs h LYS 289 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2rjs h LYS 289 CO -0.01 0.09 -0.23 -3.47 -3.45 0.00 0.00 179.45 172.38 2rjs n ASP 290 N -3.50 0.94 -4.80 4.20 2.03 -0.07 -4.88 116.55 110.47 2rjs n ASP 290 Ca -0.02 -0.84 -0.36 0.00 0.52 0.00 0.00 54.79 54.08 2rjs n ASP 290 Cb 0.23 0.10 -0.07 0.00 -0.72 0.00 0.00 41.12 40.66 2rjs n ASP 290 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2rjs s LYS 291 N -2.49 3.88 0.24 -0.67 1.02 -0.85 -5.03 119.74 115.84 2rjs s LYS 291 Ca 0.25 -0.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.04 2rjs s LYS 291 Cb 0.19 -3.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.11 2rjs s LYS 291 CO 0.51 0.52 0.70 -1.21 -0.92 0.00 0.00 175.35 174.96 2rjs s GLU 292 N -0.34 4.14 0.00 1.68 2.02 -1.26 -4.98 118.70 119.95 2rjs s GLU 292 Ca 0.15 0.76 0.28 0.00 0.02 0.00 0.00 54.97 56.17 2rjs s GLU 292 Cb -0.13 -2.76 1.05 0.00 0.10 0.00 0.00 34.13 32.40 2rjs s GLU 292 CO 0.04 0.34 1.77 0.00 0.02 0.00 0.00 175.26 177.42 2rjs n ALA 293 N 0.41 2.85 0.73 5.21 0.00 -1.26 -3.88 120.51 124.57 2rjs n ALA 293 Ca -0.01 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.26 2rjs n ALA 293 Cb 0.52 -1.31 0.23 0.00 0.00 0.00 0.00 19.45 18.89 2rjs n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rjs n GLY 294 N 1.38 0.91 3.20 0.00 0.00 -1.26 -4.90 105.19 104.52 2rjs n GLY 294 Ca 0.11 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 2rjs n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjs s LYS 295 N -1.50 1.41 0.18 1.61 1.02 -1.25 -5.03 119.74 116.18 2rjs s LYS 295 Ca 0.30 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 55.65 2rjs s LYS 295 Cb 0.16 -1.42 -0.10 0.00 -0.52 0.00 0.00 37.83 35.95 2rjs s LYS 295 CO 0.22 0.38 1.34 -0.44 -0.92 0.00 0.00 175.35 175.92 2rjs h ASP 296 N 5.39 0.00 -2.06 2.83 3.32 -1.91 -3.44 116.42 120.55 2rjs h ASP 296 Ca -0.39 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.45 2rjs h ASP 296 Cb 1.15 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.39 2rjs h ASP 296 CO 0.47 0.80 -0.54 0.54 -1.72 0.00 0.00 179.24 178.79 2rjs s VAL 297 N -2.81 -0.52 0.31 -1.35 0.11 -1.26 -5.16 120.40 109.72 2rjs s VAL 297 Ca 0.02 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 2rjs s VAL 297 Cb 0.09 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2rjs s VAL 297 CO 0.79 -0.19 0.17 -1.10 -3.33 0.00 0.00 175.10 171.43 2rjs s GLN 298 N 2.47 2.56 -0.18 1.54 -0.21 -1.26 -5.12 119.66 119.47 2rjs s GLN 298 Ca 0.11 -1.36 -0.08 0.00 0.02 0.00 0.00 55.36 54.05 2rjs s GLN 298 Cb -0.15 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 2rjs s GLN 298 CO -0.18 0.21 0.08 1.03 -2.12 0.00 0.00 175.29 174.32 2rjs s ARG 299 N -3.85 4.02 0.22 2.91 0.52 -1.26 -5.09 118.95 116.41 2rjs s ARG 299 Ca 0.36 -0.30 0.11 0.00 -0.52 0.00 0.00 55.73 55.38 2rjs s ARG 299 Cb -0.05 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2rjs s ARG 299 CO 0.24 0.30 -0.20 0.45 0.02 0.00 0.00 175.30 176.10 2rjs s SER 300 N 0.31 3.24 0.00 0.23 0.15 -1.26 -5.01 113.70 111.36 2rjs s SER 300 Ca 0.05 -0.94 0.25 0.00 0.70 0.00 0.00 55.95 56.01 2rjs s SER 300 Cb -0.12 -0.24 0.43 0.00 -1.71 0.00 0.00 66.02 64.38 2rjs s SER 300 CO -0.00 0.03 1.39 1.21 1.20 0.00 0.00 173.24 177.07 2rjs n GLU 301 N -0.09 2.19 -3.82 5.44 2.13 -1.26 -4.92 120.64 120.31 2rjs n GLU 301 Ca -0.10 -1.75 -0.36 0.00 0.66 0.00 0.00 57.16 55.61 2rjs n GLU 301 Cb 0.58 -1.47 -0.06 0.00 0.27 0.00 0.00 31.44 30.76 2rjs n GLU 301 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2rjs s ILE 302 N -1.92 5.42 -0.30 6.31 1.01 -1.26 -5.08 121.20 125.38 2rjs s ILE 302 Ca 0.32 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 2rjs s ILE 302 Cb 0.20 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 39.23 2rjs s ILE 302 CO 0.31 0.56 0.03 -0.31 0.00 0.00 0.00 174.94 175.53 2rjs s TYR 303 N -1.10 3.19 0.52 3.97 2.02 -1.26 -4.97 117.35 119.72 2rjs s TYR 303 Ca 0.19 -1.46 0.35 0.00 -0.37 0.00 0.00 57.07 55.77 2rjs s TYR 303 Cb -0.13 -2.18 1.90 0.00 -0.40 0.00 0.00 41.96 41.15 2rjs s TYR 303 CO 0.08 -0.71 2.22 1.25 -1.57 0.00 0.00 175.55 176.82 2rjs h LEU 304 N 8.12 0.00 -8.14 -1.29 5.85 -1.98 -3.42 115.31 114.46 2rjs h LEU 304 Ca -0.27 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.21 2rjs h LEU 304 Cb 1.09 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.92 2rjs h LEU 304 CO 0.58 0.03 -0.72 -1.10 -0.34 0.00 0.00 178.44 176.89 2rjs s GLN 305 N -4.24 0.49 0.59 1.25 -0.21 -1.26 -5.00 119.66 111.28 2rjs s GLN 305 Ca -0.04 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.63 2rjs s GLN 305 Cb 0.13 -0.17 0.08 0.00 1.00 0.00 0.00 33.01 34.05 2rjs s GLN 305 CO 0.51 0.02 0.81 0.15 -2.12 0.00 0.00 175.29 174.66 2rjs s LYS 306 N -1.74 2.24 0.98 2.91 -0.14 -1.26 -5.08 119.74 117.64 2rjs s LYS 306 Ca -0.10 -1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 53.12 2rjs s LYS 306 Cb -0.09 -2.55 0.18 0.00 -1.68 0.00 0.00 37.83 33.70 2rjs s LYS 306 CO -0.01 -0.92 1.09 0.00 -0.76 0.00 0.00 175.35 174.76 2rjs s ALA 307 N -2.77 0.95 0.30 5.17 0.00 -1.26 -4.71 121.76 119.44 2rjs s ALA 307 Ca 0.61 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.84 2rjs s ALA 307 Cb -0.07 -3.32 0.73 0.00 0.00 0.00 0.00 23.12 20.46 2rjs s ALA 307 CO 0.39 -2.94 1.77 1.88 0.00 0.00 0.00 175.76 176.87 2rjs h TYR 308 N -1.98 1.05 0.00 0.00 -1.99 -1.98 -0.65 116.97 111.43 2rjs h TYR 308 Ca -0.50 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.26 2rjs h TYR 308 Cb 1.29 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 39.70 2rjs h TYR 308 CO 0.42 0.23 -0.03 0.66 -0.00 0.00 0.00 178.16 179.44 2rjs h SER 309 N 0.75 0.00 -0.21 3.88 4.64 -1.95 0.38 113.55 121.04 2rjs h SER 309 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2rjs h SER 309 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2rjs h SER 309 CO -0.38 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 175.79 2rjs n LEU 310 N -3.39 3.00 0.00 5.97 4.77 -0.30 -4.67 117.00 122.37 2rjs n LEU 310 Ca -0.02 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 2rjs n LEU 310 Cb 0.15 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2rjs n LEU 310 CO 0.25 0.67 -0.08 -1.14 -1.33 0.00 0.00 177.39 175.76 2rjs n ARG 311 N -0.24 0.00 -0.31 3.23 0.63 -0.77 -4.84 116.66 114.35 2rjs n ARG 311 Ca 0.13 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.07 2rjs n ARG 311 Cb 0.57 -0.47 0.12 0.00 0.45 0.00 0.00 32.46 33.14 2rjs n ARG 311 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rjs n ALA 312 N -1.88 3.04 -0.13 5.13 0.00 0.13 -4.42 120.51 122.38 2rjs n ALA 312 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.72 2rjs n ALA 312 Cb 0.08 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.51 2rjs n ALA 312 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2rjs h ILE 313 N 1.16 0.89 -0.74 0.00 5.03 -1.83 -2.00 117.51 120.02 2rjs h ILE 313 Ca 0.03 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.69 2rjs h ILE 313 Cb 1.08 0.53 -0.05 0.00 -3.03 0.00 0.00 36.82 35.35 2rjs h ILE 313 CO 0.19 0.06 0.47 -0.65 -0.68 0.00 0.00 178.15 177.54 2rjs h PRO 314 N 0.33 0.88 0.54 2.37 0.11 -1.89 -0.58 132.00 133.75 2rjs h PRO 314 Ca 0.19 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2rjs h PRO 314 Cb 0.16 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.08 2rjs h PRO 314 CO -0.18 0.58 -0.26 1.96 -0.21 0.00 0.00 178.00 179.89 2rjs h GLN 315 N 0.90 -0.69 0.68 1.05 7.50 -1.81 -0.15 115.11 122.60 2rjs h GLN 315 Ca 0.30 0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.47 2rjs h GLN 315 Cb 0.04 0.16 0.01 0.00 0.05 0.00 0.00 27.48 27.73 2rjs h GLN 315 CO -0.12 -0.40 -0.33 0.28 -1.50 0.00 0.00 178.83 176.77 2rjs h VAL 316 N -0.91 0.11 -0.21 -0.54 2.07 -1.35 -2.15 116.25 113.27 2rjs h VAL 316 Ca -0.07 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2rjs h VAL 316 Cb 0.62 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2rjs h VAL 316 CO 0.12 0.01 0.05 0.58 0.02 0.00 0.00 177.57 178.36 2rjs h VAL 317 N -1.18 1.10 -0.74 2.57 2.07 -1.24 -1.84 116.25 116.99 2rjs h VAL 317 Ca -0.09 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2rjs h VAL 317 Cb 0.73 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2rjs h VAL 317 CO 0.15 0.13 0.34 1.23 0.02 0.00 0.00 177.57 179.44 2rjs h GLY 318 N 0.48 1.16 1.03 2.17 0.00 -1.00 0.19 103.07 107.09 2rjs h GLY 318 Ca 0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2rjs h GLY 318 CO -0.00 0.56 0.48 0.00 0.00 0.00 0.00 176.54 177.58 2rjs h ALA 319 N 1.17 1.12 0.40 3.60 0.00 -0.66 0.00 119.26 124.90 2rjs h ALA 319 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2rjs h ALA 319 Cb 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2rjs h ALA 319 CO -0.03 0.63 -0.23 0.28 0.00 0.00 0.00 179.25 179.90 2rjs h VAL 320 N 1.22 0.53 -0.38 0.00 2.07 -0.87 -2.08 116.25 116.75 2rjs h VAL 320 Ca 0.31 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.91 2rjs h VAL 320 Cb 0.03 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 2rjs h VAL 320 CO -0.05 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 177.37 2rjs h ARG 321 N -0.59 -0.13 -0.80 1.57 3.08 -0.48 -0.11 114.38 116.92 2rjs h ARG 321 Ca -0.05 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.17 2rjs h ARG 321 Cb 0.47 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 2rjs h ARG 321 CO 0.06 -0.09 0.35 -0.44 -1.07 0.00 0.00 179.97 178.78 2rjs h ASP 322 N -0.13 0.34 -0.49 7.04 3.32 -0.78 0.48 116.42 126.20 2rjs h ASP 322 Ca 0.19 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 2rjs h ASP 322 Cb 0.42 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2rjs h ASP 322 CO -0.46 0.11 -0.01 0.74 -1.72 0.00 0.00 179.24 177.90 2rjs h THR 323 N 0.47 1.26 0.00 0.35 2.02 -0.54 -1.50 112.91 114.99 2rjs h THR 323 Ca 0.45 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 2rjs h THR 323 Cb 0.71 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2rjs h THR 323 CO -0.42 0.38 -0.48 -0.07 0.37 0.00 0.00 175.52 175.29 2rjs h LEU 324 N 0.73 0.00 -0.26 2.58 3.38 0.72 -0.83 115.31 121.63 2rjs h LEU 324 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2rjs h LEU 324 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2rjs h LEU 324 CO 0.03 0.48 -0.30 1.88 0.09 0.00 0.00 178.44 180.62 2rjs h TYR 325 N 0.00 0.81 -0.30 1.13 0.05 0.13 -1.08 116.97 117.72 2rjs h TYR 325 Ca -0.00 -0.25 -0.09 0.00 0.05 0.00 0.00 58.73 58.43 2rjs h TYR 325 Cb 0.87 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2rjs h TYR 325 CO 0.00 0.99 -0.20 1.25 -1.05 0.00 0.00 178.16 179.16 2rjs h HIS 326 N 0.40 0.60 -0.32 4.88 2.76 -1.10 -1.64 115.15 120.73 2rjs h HIS 326 Ca 0.04 -0.12 -0.13 0.00 -2.20 0.00 0.00 60.37 57.96 2rjs h HIS 326 Cb 0.87 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 2rjs h HIS 326 CO 0.08 0.71 -0.32 0.00 -1.30 0.00 0.00 177.93 177.09 2rjs h ALA 327 N 1.30 0.47 -0.63 5.26 0.00 -1.05 -2.18 119.26 122.43 2rjs h ALA 327 Ca 0.08 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2rjs h ALA 327 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2rjs h ALA 327 CO 0.04 0.52 0.09 -0.09 0.00 0.00 0.00 179.25 179.81 2rjs h ARG 328 N 0.55 1.03 0.44 0.00 2.43 -1.02 -1.12 114.38 116.69 2rjs h ARG 328 Ca 0.05 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 2rjs h ARG 328 Cb 0.90 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2rjs h ARG 328 CO 0.08 0.96 -0.38 1.25 -1.51 0.00 0.00 179.97 180.37 2rjs h HIS 329 N 0.97 -1.02 -0.64 2.20 2.76 -1.19 0.22 115.15 118.46 2rjs h HIS 329 Ca 0.19 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.41 2rjs h HIS 329 Cb 0.44 0.39 -0.04 0.00 1.55 0.00 0.00 27.41 29.75 2rjs h HIS 329 CO 0.03 -0.54 0.42 0.87 -1.30 0.00 0.00 177.93 177.42 2rjs h LYS 330 N -0.82 0.69 -0.43 5.26 1.79 -1.28 -1.04 116.57 120.75 2rjs h LYS 330 Ca -0.04 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 2rjs h LYS 330 Cb 0.71 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2rjs h LYS 330 CO -0.03 0.46 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.57 2rjs h LEU 331 N 0.71 0.88 -0.41 2.94 3.38 -0.60 -1.01 115.31 121.20 2rjs h LEU 331 Ca 0.26 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2rjs h LEU 331 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2rjs h LEU 331 CO -0.08 1.07 0.20 -0.09 0.09 0.00 0.00 178.44 179.63 2rjs h ARG 332 N 0.69 0.60 -0.14 1.13 2.43 0.23 0.49 114.38 119.81 2rjs h ARG 332 Ca 0.10 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2rjs h ARG 332 Cb 0.71 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2rjs h ARG 332 CO 0.05 0.52 0.06 0.82 -1.51 0.00 0.00 179.97 179.92 2rjs h ILE 333 N 0.53 1.13 -0.43 1.20 2.04 -1.15 -2.88 117.51 117.95 2rjs h ILE 333 Ca 0.14 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2rjs h ILE 333 Cb 0.12 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2rjs h ILE 333 CO -0.02 0.12 0.22 -0.08 0.00 0.00 0.00 178.15 178.39 2rjs h GLU 334 N 0.09 0.62 -0.92 2.37 4.57 -0.95 -2.75 114.58 117.62 2rjs h GLU 334 Ca 0.05 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.27 2rjs h GLU 334 Cb 0.14 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.52 2rjs h GLU 334 CO -0.01 0.52 0.54 -0.07 -1.18 0.00 0.00 179.01 178.81 2rjs h LEU 335 N 0.56 0.75 -2.09 1.64 3.38 0.02 -1.68 115.31 117.89 2rjs h LEU 335 Ca 0.15 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2rjs h LEU 335 Cb 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2rjs h LEU 335 CO -0.02 0.38 0.00 0.59 0.09 0.00 0.00 178.44 179.48 2rjs n ASN 336 N -4.73 3.12 -4.93 -0.43 3.02 -1.09 -4.31 115.26 105.92 2rjs n ASN 336 Ca 0.17 -2.28 -0.22 0.00 -0.03 0.00 0.00 54.58 52.23 2rjs n ASN 336 Cb 0.37 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2rjs n ASN 336 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2rjs s SER 337 N -0.74 6.12 -1.36 6.41 1.04 -0.63 -4.53 113.70 120.01 2rjs s SER 337 Ca 0.31 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 2rjs s SER 337 Cb 0.20 -1.75 0.11 0.00 0.10 0.00 0.00 66.02 64.68 2rjs s SER 337 CO 0.15 -0.05 2.09 0.00 0.98 0.00 0.00 173.24 176.41 2rjs n ALA 338 N -1.26 5.65 -2.81 5.32 0.00 -1.26 -4.59 120.51 121.56 2rjs n ALA 338 Ca -0.09 -4.11 -0.44 0.00 0.00 0.00 0.00 53.44 48.81 2rjs n ALA 338 Cb 0.57 -3.18 -0.00 0.00 0.00 0.00 0.00 19.45 16.83 2rjs n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rjs s ASN 339 N 1.71 6.96 0.31 0.00 4.22 -1.26 -4.80 114.94 122.08 2rjs s ASN 339 Ca 0.45 -2.74 -0.16 0.00 -2.14 0.00 0.00 52.86 48.28 2rjs s ASN 339 Cb 0.12 -2.47 0.02 0.00 1.28 0.00 0.00 41.25 40.21 2rjs s ASN 339 CO -0.04 -0.92 0.65 -0.62 -2.04 0.00 0.00 177.10 174.13 2rjs s ASP 340 N 3.40 -0.02 -0.29 3.54 2.15 -1.22 -3.98 116.67 120.25 2rjs s ASP 340 Ca 0.46 -0.93 -0.23 0.00 0.43 0.00 0.00 52.55 52.29 2rjs s ASP 340 Cb -0.00 0.72 0.14 0.00 -0.30 0.00 0.00 42.92 43.47 2rjs s ASP 340 CO 0.02 -1.39 1.08 0.21 -0.17 0.00 0.00 175.17 174.92 2rjs s ASN 341 N -3.02 -0.41 0.95 -0.34 2.47 -1.26 -4.35 114.94 108.98 2rjs s ASN 341 Ca 0.17 0.75 -0.14 0.00 0.42 0.00 0.00 52.86 54.06 2rjs s ASN 341 Cb -0.04 0.85 0.17 0.00 -1.45 0.00 0.00 41.25 40.78 2rjs s ASN 341 CO 0.10 -0.13 1.19 -2.16 -3.72 0.00 0.00 177.10 172.39 2rjs s PRO 342 N 0.45 0.81 0.16 0.43 0.04 -1.26 -4.80 135.00 130.83 2rjs s PRO 342 Ca 0.01 0.02 0.11 0.00 0.04 0.00 0.00 61.00 61.18 2rjs s PRO 342 Cb -0.05 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2rjs s PRO 342 CO -0.09 -2.37 -0.25 -0.51 0.04 0.00 0.00 177.00 173.81 2rjs s LEU 343 N -6.04 2.37 0.02 -3.56 1.43 -0.22 -4.85 118.68 107.82 2rjs s LEU 343 Ca 0.67 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2rjs s LEU 343 Cb -0.10 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2rjs s LEU 343 CO 0.53 0.15 -0.03 0.12 0.23 0.00 0.00 176.35 177.34 2rjs s PHE 344 N -1.35 2.97 0.31 0.29 2.19 -0.46 -1.01 117.98 120.92 2rjs s PHE 344 Ca 0.17 0.01 0.04 0.00 0.33 0.00 0.00 56.93 57.47 2rjs s PHE 344 Cb -0.09 -1.62 -0.02 0.00 -1.31 0.00 0.00 43.02 39.98 2rjs s PHE 344 CO 0.08 0.42 0.31 -0.06 1.83 0.00 0.00 175.22 177.79 2rjs s PHE 345 N -1.08 1.49 -0.30 10.12 0.08 -1.26 -4.69 117.98 122.35 2rjs s PHE 345 Ca 0.19 -1.52 -0.26 0.00 0.12 0.00 0.00 56.93 55.45 2rjs s PHE 345 Cb -0.11 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 2rjs s PHE 345 CO 0.10 -0.90 0.93 -2.00 -0.10 0.00 0.00 175.22 173.25 2rjs s GLU 346 N -3.47 4.04 -1.05 0.44 2.56 -1.26 -4.22 118.70 115.74 2rjs s GLU 346 Ca 0.38 0.87 -0.19 0.00 0.00 0.00 0.00 54.97 56.03 2rjs s GLU 346 Cb 0.02 -3.72 0.02 0.00 2.00 0.00 0.00 34.13 32.45 2rjs s GLU 346 CO 0.23 -0.76 0.68 0.41 -0.56 0.00 0.00 175.26 175.27 2rjs n GLY 347 N 3.96 -1.05 3.31 -1.50 0.00 -1.26 -4.97 105.19 103.68 2rjs n GLY 347 Ca 0.08 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 2rjs n GLY 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rjs s LYS 348 N -6.08 0.76 0.84 1.61 2.47 -1.26 -5.15 119.74 112.93 2rjs s LYS 348 Ca 0.31 -0.08 -0.12 0.00 -1.56 0.00 0.00 55.97 54.52 2rjs s LYS 348 Cb -0.15 0.35 0.10 0.00 -1.46 0.00 0.00 37.83 36.67 2rjs s LYS 348 CO 0.91 -0.22 1.16 -1.21 0.16 0.00 0.00 175.35 176.16 2rjs s GLU 349 N -1.30 1.49 0.01 4.03 0.41 -1.26 -4.69 118.70 117.39 2rjs s GLU 349 Ca -0.13 1.59 -0.30 0.00 -0.41 0.00 0.00 54.97 55.72 2rjs s GLU 349 Cb -0.04 -1.78 -0.06 0.00 -1.78 0.00 0.00 34.13 30.47 2rjs s GLU 349 CO 0.06 -2.29 1.53 0.42 -0.49 0.00 0.00 175.26 174.48 2rjs s ILE 350 N -2.45 3.48 -0.05 -1.63 -1.09 -1.26 -4.73 121.20 113.47 2rjs s ILE 350 Ca 0.69 0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 2rjs s ILE 350 Cb -0.25 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2rjs s ILE 350 CO 0.54 -0.02 1.35 0.12 -1.23 0.00 0.00 174.94 175.70 2rjs s PHE 351 N 2.82 2.85 -0.58 3.97 5.36 -0.18 -4.89 117.98 127.32 2rjs s PHE 351 Ca 0.69 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 57.55 2rjs s PHE 351 Cb -0.34 -3.60 0.15 0.00 -0.34 0.00 0.00 43.02 38.88 2rjs s PHE 351 CO 0.29 -2.19 0.36 -1.01 -1.46 0.00 0.00 175.22 171.21 2rjs s HIS 352 N 2.70 3.30 0.00 10.12 3.76 -1.26 -1.05 115.29 132.86 2rjs s HIS 352 Ca 0.61 -2.99 0.00 0.00 -0.15 0.00 0.00 55.06 52.53 2rjs s HIS 352 Cb -0.28 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.42 2rjs s HIS 352 CO 0.24 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 173.76 2rjs n GLY 353 N 3.19 4.31 2.70 -2.22 0.00 -1.26 -5.10 105.19 106.82 2rjs n GLY 353 Ca 0.07 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 2rjs n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rjs n ALA 354 N -3.00 2.30 1.38 4.61 0.00 -1.26 -4.92 120.51 119.61 2rjs n ALA 354 Ca 0.00 -1.74 0.05 0.00 0.00 0.00 0.00 53.44 51.75 2rjs n ALA 354 Cb 0.00 -0.92 0.32 0.00 0.00 0.00 0.00 19.45 18.84 2rjs n ALA 354 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rjs n ASN 355 N -0.78 0.00 -0.12 0.00 3.02 -1.26 -1.64 115.26 114.48 2rjs n ASN 355 Ca -0.04 -1.05 0.13 0.00 -0.03 0.00 0.00 54.58 53.60 2rjs n ASN 355 Cb 0.85 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 40.44 2rjs n ASN 355 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2rjs n PHE 356 N -0.74 0.00 -2.48 3.10 1.16 -1.26 -4.21 117.46 113.02 2rjs n PHE 356 Ca 0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.23 2rjs n PHE 356 Cb 0.04 -0.21 -0.02 0.00 -1.61 0.00 0.00 39.48 37.68 2rjs n PHE 356 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2rjs s HIS 357 N -2.68 2.72 -1.43 2.97 2.46 -0.65 -4.35 115.29 114.33 2rjs s HIS 357 Ca 0.21 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.56 2rjs s HIS 357 Cb 0.19 -4.12 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 2rjs s HIS 357 CO 0.56 -1.52 0.64 0.41 -2.47 0.00 0.00 174.74 172.36 2rjs n GLY 358 N 4.59 0.38 0.30 1.59 0.00 -0.86 -4.43 105.19 106.76 2rjs n GLY 358 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 2rjs n GLY 358 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2rjs h GLN 359 N 0.06 0.45 -0.56 1.61 5.75 -1.91 0.48 115.11 120.99 2rjs h GLN 359 Ca 0.00 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2rjs h GLN 359 Cb 0.26 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 2rjs h GLN 359 CO 0.00 0.30 0.37 -1.00 -2.65 0.00 0.00 178.83 175.85 2rjs h PRO 360 N 0.46 0.64 0.07 -2.39 0.13 -2.00 -1.58 132.00 127.33 2rjs h PRO 360 Ca 0.49 -0.04 -0.32 0.00 -0.87 0.00 0.00 66.00 65.26 2rjs h PRO 360 Cb 0.81 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 2rjs h PRO 360 CO -0.45 0.42 -1.74 0.82 -0.23 0.00 0.00 178.00 176.82 2rjs h ILE 361 N 0.66 0.86 -0.36 -3.56 1.08 -1.53 -3.05 117.51 111.60 2rjs h ILE 361 Ca 0.22 -2.63 0.07 0.00 -0.39 0.00 0.00 64.86 62.13 2rjs h ILE 361 Cb 0.07 2.53 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 2rjs h ILE 361 CO -0.06 0.70 0.00 0.00 -0.69 0.00 0.00 178.15 178.11 2rjs h ALA 362 N 0.59 0.33 0.25 1.87 0.00 0.18 -0.15 119.26 122.34 2rjs h ALA 362 Ca -0.31 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2rjs h ALA 362 Cb 2.01 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2rjs h ALA 362 CO 0.10 -0.40 -0.12 0.74 0.00 0.00 0.00 179.25 179.57 2rjs h PHE 363 N 0.10 -0.32 -0.79 0.00 0.04 -1.43 -1.97 116.94 112.58 2rjs h PHE 363 Ca 0.18 -0.01 0.19 0.00 2.80 0.00 0.00 57.97 61.13 2rjs h PHE 363 Cb 0.24 0.10 -0.13 0.00 2.20 0.00 0.00 35.95 38.37 2rjs h PHE 363 CO -0.25 -0.11 0.16 0.00 -0.60 0.00 0.00 178.31 177.51 2rjs h ALA 364 N 0.25 1.02 -0.00 2.45 0.00 -1.31 0.10 119.26 121.77 2rjs h ALA 364 Ca -0.03 0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2rjs h ALA 364 Cb 0.35 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2rjs h ALA 364 CO 0.06 -0.40 -0.85 0.52 0.00 0.00 0.00 179.25 178.58 2rjs h MET 365 N 0.21 0.18 -0.39 0.00 2.86 -0.97 -1.61 114.93 115.22 2rjs h MET 365 Ca 0.46 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 2rjs h MET 365 Cb 0.85 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 2rjs h MET 365 CO -0.60 0.92 -0.02 -0.44 1.06 0.00 0.00 176.91 177.84 2rjs h ASP 366 N 0.10 0.60 -0.34 1.22 5.19 -0.39 -0.92 116.42 121.89 2rjs h ASP 366 Ca -0.04 -0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.14 2rjs h ASP 366 Cb 1.47 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 2rjs h ASP 366 CO 0.13 0.68 -0.19 -0.26 -3.12 0.00 0.00 179.24 176.48 2rjs h PHE 367 N 0.60 0.83 -0.70 4.55 0.04 -0.66 -2.75 116.94 118.84 2rjs h PHE 367 Ca 0.12 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.68 2rjs h PHE 367 Cb 0.40 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 2rjs h PHE 367 CO 0.02 0.94 0.47 0.28 -0.60 0.00 0.00 178.31 179.41 2rjs h VAL 368 N 0.49 1.18 -0.60 -0.55 2.07 -0.92 -0.83 116.25 117.09 2rjs h VAL 368 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2rjs h VAL 368 Cb 0.73 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2rjs h VAL 368 CO 0.05 0.17 0.32 0.74 0.02 0.00 0.00 177.57 178.88 2rjs h THR 369 N 0.95 1.20 -0.14 2.57 2.02 -0.97 0.20 112.91 118.75 2rjs h THR 369 Ca 0.26 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2rjs h THR 369 Cb -0.11 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2rjs h THR 369 CO -0.06 0.22 -0.05 0.40 0.37 0.00 0.00 175.52 176.40 2rjs h ILE 370 N 0.81 1.30 0.55 3.11 2.04 -1.14 -1.98 117.51 122.21 2rjs h ILE 370 Ca 0.21 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2rjs h ILE 370 Cb 0.06 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2rjs h ILE 370 CO -0.03 0.31 -0.39 0.00 0.00 0.00 0.00 178.15 178.03 2rjs h ALA 371 N 0.68 -0.95 -0.84 1.87 0.00 -1.01 -2.16 119.26 116.85 2rjs h ALA 371 Ca 0.03 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2rjs h ALA 371 Cb 0.50 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2rjs h ALA 371 CO 0.02 -1.06 0.55 -0.07 0.00 0.00 0.00 179.25 178.69 2rjs h LEU 372 N -0.92 0.65 -1.09 0.00 3.38 -1.02 -0.60 115.31 115.71 2rjs h LEU 372 Ca -0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2rjs h LEU 372 Cb 0.76 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2rjs h LEU 372 CO 0.03 0.36 0.30 0.74 0.09 0.00 0.00 178.44 179.96 2rjs h THR 373 N 0.70 1.22 -0.06 0.22 2.02 -0.88 -0.92 112.91 115.22 2rjs h THR 373 Ca 0.41 -0.63 -0.15 0.00 0.77 0.00 0.00 66.41 66.80 2rjs h THR 373 Cb 0.59 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2rjs h THR 373 CO -0.17 0.26 -0.64 -0.61 0.37 0.00 0.00 175.52 174.73 2rjs h GLN 374 N 0.94 0.22 -0.66 6.66 5.75 -0.54 -1.81 115.11 125.66 2rjs h GLN 374 Ca 0.23 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 2rjs h GLN 374 Cb 0.12 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 2rjs h GLN 374 CO -0.03 0.78 0.41 1.25 -2.65 0.00 0.00 178.83 178.60 2rjs h LEU 375 N 0.16 0.68 -0.38 -2.39 5.85 -0.18 -1.48 115.31 117.56 2rjs h LEU 375 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2rjs h LEU 375 Cb 1.16 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2rjs h LEU 375 CO 0.10 0.47 0.01 1.23 -0.34 0.00 0.00 178.44 179.90 2rjs h GLY 376 N 0.81 0.72 0.16 3.75 0.00 -0.96 -2.08 103.07 105.46 2rjs h GLY 376 Ca 0.27 -0.52 0.11 0.00 0.00 0.00 0.00 47.33 47.18 2rjs h GLY 376 CO -0.10 0.48 0.05 -2.08 0.00 0.00 0.00 176.54 174.89 2rjs h VAL 377 N 0.49 0.61 -0.50 4.60 2.07 -0.88 -0.14 116.25 122.50 2rjs h VAL 377 Ca 0.11 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2rjs h VAL 377 Cb 0.45 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2rjs h VAL 377 CO 0.02 0.03 0.18 0.25 0.02 0.00 0.00 177.57 178.07 2rjs h LEU 378 N 0.18 0.71 -0.13 2.57 5.85 -1.17 -2.60 115.31 120.72 2rjs h LEU 378 Ca 0.28 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2rjs h LEU 378 Cb 0.43 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2rjs h LEU 378 CO -0.42 0.70 0.06 0.00 -0.34 0.00 0.00 178.44 178.44 2rjs h ALA 379 N 1.03 0.14 -0.41 1.25 0.00 -0.51 -2.49 119.26 118.28 2rjs h ALA 379 Ca 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2rjs h ALA 379 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2rjs h ALA 379 CO -0.01 -0.39 0.12 1.49 0.00 0.00 0.00 179.25 180.46 2rjs h GLU 380 N 0.12 0.60 -0.06 0.00 4.22 -1.01 -2.06 114.58 116.39 2rjs h GLU 380 Ca 0.05 -0.10 -0.13 0.00 0.08 0.00 0.00 59.36 59.26 2rjs h GLU 380 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2rjs h GLU 380 CO -0.04 0.54 -0.57 0.00 -2.18 0.00 0.00 179.01 176.76 2rjs h ARG 381 N 0.59 0.18 -0.51 1.92 2.47 -1.27 -0.67 114.38 117.09 2rjs h ARG 381 Ca 0.14 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 2rjs h ARG 381 Cb 0.20 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2rjs h ARG 381 CO -0.01 0.70 -0.10 1.96 0.56 0.00 0.00 179.97 183.08 2rjs h GLN 382 N 0.13 0.94 -0.23 0.04 4.20 -0.96 0.23 115.11 119.46 2rjs h GLN 382 Ca -0.00 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.39 2rjs h GLN 382 Cb 1.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 2rjs h GLN 382 CO 0.08 0.99 0.11 0.82 -0.67 0.00 0.00 178.83 180.16 2rjs h ILE 383 N 0.84 0.99 -0.98 2.54 2.04 -0.97 -0.96 117.51 121.01 2rjs h ILE 383 Ca 0.14 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2rjs h ILE 383 Cb 0.64 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 2rjs h ILE 383 CO 0.04 0.04 0.64 -1.13 0.00 0.00 0.00 178.15 177.75 2rjs h ASN 384 N 0.23 1.06 -0.37 1.72 -1.24 -0.57 -1.31 115.58 115.12 2rjs h ASN 384 Ca 0.09 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2rjs h ASN 384 Cb 0.03 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 2rjs h ASN 384 CO -0.07 0.72 0.20 -0.09 -1.29 0.00 0.00 177.43 176.90 2rjs h ARG 385 N 1.23 0.51 0.00 6.67 2.43 0.31 -1.77 114.38 123.75 2rjs h ARG 385 Ca 0.40 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.39 2rjs h ARG 385 Cb 0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2rjs h ARG 385 CO -0.13 0.42 -0.54 -0.24 -1.51 0.00 0.00 179.97 177.97 2rjs h VAL 386 N 0.46 1.28 0.00 0.20 3.04 -0.82 -2.92 116.25 117.49 2rjs h VAL 386 Ca 0.13 -1.91 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 2rjs h VAL 386 Cb 0.06 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2rjs h VAL 386 CO -0.02 0.53 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.78 2rjs h LEU 387 N 0.00 0.00 -8.90 3.16 3.38 -1.01 -3.43 115.31 108.51 2rjs h LEU 387 Ca -0.01 -0.01 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 2rjs h LEU 387 Cb 1.02 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 2rjs h LEU 387 CO 0.07 0.01 -0.03 0.21 0.09 0.00 0.00 178.44 178.78 2rjs s ASN 388 N -5.72 6.39 0.60 -0.43 3.84 -0.69 -1.48 114.94 117.44 2rjs s ASN 388 Ca 0.06 0.33 0.30 0.00 0.21 0.00 0.00 52.86 53.76 2rjs s ASN 388 Cb 0.07 -2.27 1.75 0.00 -0.55 0.00 0.00 41.25 40.25 2rjs s ASN 388 CO 0.68 -0.35 2.15 0.08 -2.79 0.00 0.00 177.10 176.87 2rjs h ARG 389 N 8.18 0.00 -0.00 0.43 0.11 -1.85 0.29 114.38 121.53 2rjs h ARG 389 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2rjs h ARG 389 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2rjs h ARG 389 CO 0.73 0.00 -0.12 0.72 0.10 0.00 0.00 179.97 181.40 2rjs n HIS 390 N -3.73 0.00 0.00 4.08 8.25 -1.26 -3.93 115.22 118.62 2rjs n HIS 390 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2rjs n HIS 390 Cb 0.25 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2rjs n HIS 390 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2rjs n LEU 391 N -1.21 0.00 0.17 2.41 4.77 0.20 -4.75 117.00 118.59 2rjs n LEU 391 Ca 0.11 -0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.03 2rjs n LEU 391 Cb 0.29 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.96 2rjs n LEU 391 CO 0.26 0.00 0.89 0.77 -1.33 0.00 0.00 177.39 177.98 2rjs h SER 392 N 0.00 0.00 -2.06 -1.43 4.64 -0.36 -3.45 113.55 110.89 2rjs h SER 392 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2rjs h SER 392 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2rjs h SER 392 CO 0.00 0.00 -0.25 -1.22 -0.87 0.00 0.00 176.83 174.49 2rjs n TYR 393 N -2.42 -0.78 0.00 4.77 4.01 -1.26 -4.12 117.16 117.36 2rjs n TYR 393 Ca 0.01 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2rjs n TYR 393 Cb 0.20 -2.42 0.00 0.00 -0.31 0.00 0.00 39.34 36.81 2rjs n TYR 393 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rjs n GLY 394 N -1.06 1.69 3.85 2.72 0.00 -1.26 -5.04 105.19 106.09 2rjs n GLY 394 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2rjs n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rjs s LEU 395 N 0.00 3.29 0.56 0.99 1.43 -1.26 -5.05 118.68 118.64 2rjs s LEU 395 Ca 0.00 1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 2rjs s LEU 395 Cb 0.00 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 2rjs s LEU 395 CO 0.00 -0.95 1.07 -2.16 0.23 0.00 0.00 176.35 174.54 2rjs s PRO 396 N -4.92 3.43 -0.01 1.29 0.04 -1.26 -4.70 135.00 128.87 2rjs s PRO 396 Ca 0.57 1.32 -0.35 0.00 0.04 0.00 0.00 61.00 62.58 2rjs s PRO 396 Cb -0.12 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 2rjs s PRO 396 CO 0.50 -0.73 1.68 -0.85 0.04 0.00 0.00 177.00 177.63 2rjs n GLU 397 N -1.63 1.87 -2.74 4.56 0.00 -1.26 -1.71 120.64 119.73 2rjs n GLU 397 Ca 0.09 0.68 -0.17 0.00 0.00 0.00 0.00 57.16 57.76 2rjs n GLU 397 Cb 0.52 -2.45 -0.00 0.00 0.00 0.00 0.00 31.44 29.52 2rjs n GLU 397 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2rjs n PHE 398 N 4.75 -1.54 -3.15 -1.84 3.01 -0.55 -2.23 117.46 115.91 2rjs n PHE 398 Ca 0.21 0.18 -0.22 0.00 1.01 0.00 0.00 57.45 58.63 2rjs n PHE 398 Cb 0.25 -3.15 0.01 0.00 -0.01 0.00 0.00 39.48 36.58 2rjs n PHE 398 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2rjs n LEU 399 N -3.22 -1.93 -4.70 4.37 4.77 -0.70 -1.42 117.00 114.19 2rjs n LEU 399 Ca -0.12 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 2rjs n LEU 399 Cb 0.60 -2.44 -0.03 0.00 -2.33 0.00 0.00 43.42 39.22 2rjs n LEU 399 CO 0.31 0.16 0.91 -0.69 -1.33 0.00 0.00 177.39 176.74 2rjs s VAL 400 N -2.99 4.22 -0.12 4.08 1.01 -0.95 -4.69 120.40 120.96 2rjs s VAL 400 Ca 0.33 1.57 -0.26 0.00 0.00 0.00 0.00 61.98 63.61 2rjs s VAL 400 Cb -0.16 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 31.98 2rjs s VAL 400 CO 0.40 0.05 0.77 0.28 0.00 0.00 0.00 175.10 176.60 2rjs h SER 401 N 7.19 -0.01 0.00 3.32 0.02 -1.80 -3.46 113.55 118.81 2rjs h SER 401 Ca -0.37 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 59.74 2rjs h SER 401 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2rjs h SER 401 CO 0.85 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 178.02 2rjs n GLY 402 N 1.42 1.09 3.58 -3.77 0.00 -1.26 -4.96 105.19 101.30 2rjs n GLY 402 Ca -0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2rjs n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rjs s ASP 403 N -1.00 6.49 0.95 1.61 1.01 -1.26 -5.02 116.67 119.46 2rjs s ASP 403 Ca 0.00 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.32 2rjs s ASP 403 Cb 0.00 -2.55 0.12 0.00 1.01 0.00 0.00 42.92 41.50 2rjs s ASP 403 CO 0.00 -1.41 0.84 -0.81 0.21 0.00 0.00 175.17 174.00 2rjs n PRO 404 N 8.25 -0.58 0.00 8.23 -0.04 -1.26 -1.67 135.00 147.93 2rjs n PRO 404 Ca 0.09 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2rjs n PRO 404 Cb 0.49 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 2rjs n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rjs n GLY 405 N 0.81 1.98 0.37 0.55 0.00 -1.26 -4.33 105.19 103.32 2rjs n GLY 405 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 2rjs n GLY 405 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rjs h LEU 406 N 0.00 1.11 -8.80 0.99 5.85 -1.95 -3.40 115.31 109.11 2rjs h LEU 406 Ca 0.00 -0.05 -0.69 0.00 0.84 0.00 0.00 57.88 57.98 2rjs h LEU 406 Cb 0.00 -0.28 -0.26 0.00 0.37 0.00 0.00 40.66 40.49 2rjs h LEU 406 CO 0.00 0.83 -0.83 -1.00 -0.34 0.00 0.00 178.44 177.10 2rjs s HIS 407 N -6.00 2.52 -0.84 1.25 3.76 -0.67 -5.03 115.29 110.28 2rjs s HIS 407 Ca -0.13 -0.29 0.22 0.00 -0.15 0.00 0.00 55.06 54.71 2rjs s HIS 407 Cb 0.18 -1.54 -0.16 0.00 1.11 0.00 0.00 32.58 32.17 2rjs s HIS 407 CO 0.82 0.11 0.90 0.43 -0.85 0.00 0.00 174.74 176.15 2rjs n SER 408 N 2.20 0.79 0.00 1.40 7.64 -1.26 -4.44 113.62 119.95 2rjs n SER 408 Ca -0.17 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2rjs n SER 408 Cb 0.52 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 2rjs n SER 408 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rjs n GLY 409 N 1.46 3.92 0.75 0.23 0.00 -1.26 -1.79 105.19 108.50 2rjs n GLY 409 Ca 0.03 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2rjs n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rjs n PHE 410 N 13.74 0.29 -0.31 1.61 3.01 -0.51 -4.42 117.46 130.88 2rjs n PHE 410 Ca 0.00 -0.15 0.09 0.00 1.01 0.00 0.00 57.45 58.40 2rjs n PHE 410 Cb 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 39.72 2rjs n PHE 410 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rjs h ALA 411 N 4.22 1.35 0.00 4.37 0.00 -1.53 -0.29 119.26 127.38 2rjs h ALA 411 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2rjs h ALA 411 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2rjs h ALA 411 CO 0.00 -0.11 -0.60 0.78 0.00 0.00 0.00 179.25 179.33 2rjs h GLY 412 N 0.63 0.00 2.00 0.00 0.00 -1.81 -3.20 103.07 100.68 2rjs h GLY 412 Ca 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 2rjs h GLY 412 CO -0.38 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 175.91 2rjs h ALA 413 N 1.40 1.10 0.00 3.60 0.00 -1.34 -3.01 119.26 121.01 2rjs h ALA 413 Ca -0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2rjs h ALA 413 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2rjs h ALA 413 CO 0.08 0.31 -0.39 0.37 0.00 0.00 0.00 179.25 179.62 2rjs h GLN 414 N 0.00 0.00 0.04 0.00 4.15 -1.43 -3.33 115.11 114.54 2rjs h GLN 414 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2rjs h GLN 414 Cb 0.68 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 2rjs h GLN 414 CO 0.03 0.39 -0.28 1.88 -1.93 0.00 0.00 178.83 178.92 2rjs h TYR 415 N 0.00 -0.75 -0.08 3.99 0.05 -1.69 -1.93 116.97 116.57 2rjs h TYR 415 Ca -0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.82 2rjs h TYR 415 Cb 0.70 0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 2rjs h TYR 415 CO 0.00 -0.37 0.07 -1.00 -1.05 0.00 0.00 178.16 175.81 2rjs h PRO 416 N -0.45 0.00 -0.05 4.88 0.13 -1.77 0.53 132.00 135.27 2rjs h PRO 416 Ca 0.05 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.95 2rjs h PRO 416 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 2rjs h PRO 416 CO -0.21 0.00 -0.90 0.00 -0.23 0.00 0.00 178.00 176.66 2rjs h ALA 417 N 1.93 0.32 -0.13 -0.56 0.00 -1.59 -1.96 119.26 117.27 2rjs h ALA 417 Ca 0.04 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 2rjs h ALA 417 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2rjs h ALA 417 CO -0.00 0.74 -0.62 1.15 0.00 0.00 0.00 179.25 180.52 2rjs h THR 418 N 0.37 1.35 -0.58 0.00 2.02 -0.57 -2.87 112.91 112.63 2rjs h THR 418 Ca -0.08 -1.94 -0.11 0.00 0.77 0.00 0.00 66.41 65.06 2rjs h THR 418 Cb 1.52 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 2rjs h THR 418 CO 0.17 0.59 -0.05 0.00 0.37 0.00 0.00 175.52 176.59 2rjs h ALA 419 N 1.00 0.81 -0.33 6.16 0.00 -0.89 -3.03 119.26 122.98 2rjs h ALA 419 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2rjs h ALA 419 Cb 1.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2rjs h ALA 419 CO 0.11 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.85 2rjs h LEU 420 N 0.95 0.54 -0.66 0.00 3.38 -1.27 -0.18 115.31 118.06 2rjs h LEU 420 Ca 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2rjs h LEU 420 Cb 0.62 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2rjs h LEU 420 CO 0.04 0.68 0.30 0.58 0.09 0.00 0.00 178.44 180.13 2rjs h VAL 421 N 0.51 1.23 -0.49 1.22 2.07 -1.39 -0.06 116.25 119.34 2rjs h VAL 421 Ca 0.10 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2rjs h VAL 421 Cb 0.50 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2rjs h VAL 421 CO 0.03 0.27 -0.11 0.00 0.02 0.00 0.00 177.57 177.78 2rjs h ALA 422 N 1.13 0.67 -0.42 1.67 0.00 -1.35 -2.37 119.26 118.59 2rjs h ALA 422 Ca 0.22 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2rjs h ALA 422 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2rjs h ALA 422 CO -0.03 0.58 0.05 1.49 0.00 0.00 0.00 179.25 181.35 2rjs h GLU 423 N 0.80 0.71 -0.30 0.00 4.81 -0.75 -2.46 114.58 117.39 2rjs h GLU 423 Ca 0.12 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2rjs h GLU 423 Cb 0.67 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2rjs h GLU 423 CO 0.05 0.76 0.19 -0.91 -0.73 0.00 0.00 179.01 178.37 2rjs h ASN 424 N 0.56 0.35 0.93 1.04 2.35 -0.95 -1.24 115.58 118.61 2rjs h ASN 424 Ca 0.13 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2rjs h ASN 424 Cb 0.40 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2rjs h ASN 424 CO 0.01 0.26 0.00 0.03 -1.65 0.00 0.00 177.43 176.08 2rjs h ARG 425 N 0.41 0.00 -0.01 0.81 3.08 -0.94 -2.46 114.38 115.27 2rjs h ARG 425 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2rjs h ARG 425 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2rjs h ARG 425 CO -0.02 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.13 2rjs n THR 426 N -2.68 0.01 -3.17 2.04 -2.24 -0.47 -4.75 114.28 103.01 2rjs n THR 426 Ca 0.01 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 2rjs n THR 426 Cb 0.28 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 2rjs n THR 426 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2rjs s ILE 427 N -1.99 4.92 0.39 2.28 1.01 -0.93 -5.05 121.20 121.82 2rjs s ILE 427 Ca 0.43 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 2rjs s ILE 427 Cb 0.21 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2rjs s ILE 427 CO 0.35 -0.47 0.61 -0.83 0.00 0.00 0.00 174.94 174.59 2rjs s GLY 428 N 1.91 1.41 0.57 6.18 0.00 -1.26 -5.02 107.32 111.11 2rjs s GLY 428 Ca 0.20 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 2rjs s GLY 428 CO 0.17 -0.78 1.36 -4.14 0.00 0.00 0.00 173.10 169.71 2rjs s PRO 429 N -4.44 3.01 -0.06 2.90 0.02 -1.26 -4.95 135.00 130.22 2rjs s PRO 429 Ca 0.43 2.23 0.10 0.00 0.02 0.00 0.00 61.00 63.78 2rjs s PRO 429 Cb -0.10 -2.18 -0.14 0.00 0.02 0.00 0.00 34.50 32.11 2rjs s PRO 429 CO 0.38 -1.29 0.12 0.00 -0.33 0.00 0.00 177.00 175.87 2rjs n ALA 430 N -1.21 2.04 0.07 -1.55 0.00 -1.26 -4.61 120.51 113.98 2rjs n ALA 430 Ca 0.11 -0.47 0.01 0.00 0.00 0.00 0.00 53.44 53.09 2rjs n ALA 430 Cb 0.45 -0.13 0.03 0.00 0.00 0.00 0.00 19.45 19.80 2rjs n ALA 430 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2rjs n SER 431 N -2.14 0.00 -0.06 0.00 3.41 -1.25 -1.10 113.62 112.47 2rjs n SER 431 Ca -0.10 0.11 0.01 0.00 -0.26 0.00 0.00 58.87 58.63 2rjs n SER 431 Cb 0.58 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 2rjs n SER 431 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2rjs n THR 432 N -1.14 0.04 -0.30 6.66 -2.24 -1.26 -4.74 114.28 111.29 2rjs n THR 432 Ca 0.01 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 2rjs n THR 432 Cb 0.01 1.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.40 2rjs n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rjs n GLN 433 N 0.07 2.23 -1.65 -0.78 1.13 -0.26 -4.99 117.38 113.13 2rjs n GLN 433 Ca 0.01 -1.87 -0.46 0.00 -1.94 0.00 0.00 57.00 52.74 2rjs n GLN 433 Cb 0.05 -1.79 -0.03 0.00 0.11 0.00 0.00 30.24 28.57 2rjs n GLN 433 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rjs n SER 434 N -0.25 2.46 -4.04 1.08 2.88 -1.26 -5.01 113.62 109.48 2rjs n SER 434 Ca 0.31 1.13 -0.28 0.00 -1.33 0.00 0.00 58.87 58.71 2rjs n SER 434 Cb 1.11 -1.37 -0.17 0.00 -0.75 0.00 0.00 64.21 63.03 2rjs n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2rjs s VAL 435 N 0.05 1.39 0.18 2.46 1.01 -1.26 -4.97 120.40 119.27 2rjs s VAL 435 Ca 0.71 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 2rjs s VAL 435 Cb -0.71 -1.28 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 2rjs s VAL 435 CO 0.49 0.42 1.56 -2.16 0.00 0.00 0.00 175.10 175.41 2rjs s PRO 436 N 1.00 4.21 0.07 2.72 0.04 -1.26 -4.85 135.00 136.92 2rjs s PRO 436 Ca -0.07 2.37 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2rjs s PRO 436 Cb -0.15 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2rjs s PRO 436 CO -0.01 -0.59 0.06 -1.13 0.04 0.00 0.00 177.00 175.36 2rjs n SER 437 N 3.71 -0.13 -3.66 6.66 3.41 -1.04 -4.95 113.62 117.62 2rjs n SER 437 Ca 0.13 -1.44 -0.28 0.00 -0.26 0.00 0.00 58.87 57.02 2rjs n SER 437 Cb 0.38 0.34 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 2rjs n SER 437 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rjs n ASN 438 N -2.73 -5.45 0.00 4.04 5.15 -1.26 -2.73 115.26 112.28 2rjs n ASN 438 Ca 0.02 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 2rjs n ASN 438 Cb 0.12 -3.10 0.00 0.00 -0.53 0.00 0.00 39.78 36.27 2rjs n ASN 438 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rjs n GLY 439 N -1.73 1.60 0.19 8.20 0.00 -1.26 -1.49 105.19 110.70 2rjs n GLY 439 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2rjs n GLY 439 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjs n ASP 440 N 8.55 0.00 -0.05 1.61 8.00 -1.17 -4.91 116.55 128.59 2rjs n ASP 440 Ca 0.00 -1.18 -0.10 0.00 0.71 0.00 0.00 54.79 54.23 2rjs n ASP 440 Cb 0.00 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2rjs n ASP 440 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2rjs h ASN 441 N 0.00 0.26 -1.70 -2.24 -1.24 -1.24 -2.74 115.58 106.68 2rjs h ASN 441 Ca 0.00 -0.02 -0.77 0.00 0.71 0.00 0.00 56.30 56.22 2rjs h ASN 441 Cb 1.07 -0.06 -0.18 0.00 0.73 0.00 0.00 38.32 39.87 2rjs h ASN 441 CO 0.00 0.20 1.79 0.00 -1.29 0.00 0.00 177.43 178.13 2rjs n GLN 442 N -4.93 4.50 0.05 6.67 6.02 -1.11 -4.72 117.38 123.87 2rjs n GLN 442 Ca -0.03 -3.89 0.12 0.00 -0.01 0.00 0.00 57.00 53.19 2rjs n GLN 442 Cb 0.03 -2.66 0.48 0.00 1.02 0.00 0.00 30.24 29.12 2rjs n GLN 442 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2rjs n ASP 443 N 1.85 0.36 -3.50 1.08 5.68 -1.03 -2.48 116.55 118.50 2rjs n ASP 443 Ca 0.48 0.55 -0.18 0.00 -0.50 0.00 0.00 54.79 55.13 2rjs n ASP 443 Cb 0.29 -0.64 -0.13 0.00 -1.14 0.00 0.00 41.12 39.50 2rjs n ASP 443 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2rjs s VAL 444 N -3.08 -0.32 0.49 2.12 1.01 -1.26 -4.38 120.40 114.98 2rjs s VAL 444 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2rjs s VAL 444 Cb 0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2rjs s VAL 444 CO 0.49 -0.20 0.04 0.68 0.00 0.00 0.00 175.10 176.11 2rjs s VAL 445 N 2.32 1.41 -0.04 2.92 -7.23 -1.26 -5.10 120.40 113.43 2rjs s VAL 445 Ca 0.07 -1.95 0.14 0.00 -1.81 0.00 0.00 61.98 58.43 2rjs s VAL 445 Cb -0.16 -2.35 -0.21 0.00 0.56 0.00 0.00 36.38 34.22 2rjs s VAL 445 CO -0.12 0.00 0.27 -1.54 -0.31 0.00 0.00 175.10 173.41 2rjs n SER 446 N -1.25 1.74 -2.03 4.85 3.41 -1.14 -4.57 113.62 114.63 2rjs n SER 446 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.26 2rjs n SER 446 Cb 0.67 1.53 -0.05 0.00 -0.26 0.00 0.00 64.21 66.10 2rjs n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2rjs n MET 447 N -2.07 -1.59 -0.16 4.33 2.81 -0.42 -3.85 117.12 116.19 2rjs n MET 447 Ca -0.05 1.10 0.16 0.00 -1.81 0.00 0.00 57.70 57.10 2rjs n MET 447 Cb 0.45 -5.64 0.53 0.00 -0.71 0.00 0.00 33.22 27.85 2rjs n MET 447 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2rjs h GLY 448 N 0.00 0.64 2.00 3.03 0.00 -1.80 -1.88 103.07 105.06 2rjs h GLY 448 Ca -0.46 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 2rjs h GLY 448 CO 0.60 0.05 -0.43 -2.00 0.00 0.00 0.00 176.54 174.75 2rjs h LEU 449 N 0.37 0.00 -0.43 3.11 5.85 -1.90 0.15 115.31 122.46 2rjs h LEU 449 Ca 0.37 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.93 2rjs h LEU 449 Cb 0.91 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2rjs h LEU 449 CO -0.11 0.43 -0.46 0.40 -0.34 0.00 0.00 178.44 178.36 2rjs h ILE 450 N 0.00 1.28 -0.26 4.05 2.04 -1.67 -0.61 117.51 122.34 2rjs h ILE 450 Ca -0.00 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 2rjs h ILE 450 Cb 0.92 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2rjs h ILE 450 CO 0.06 0.54 0.14 0.28 0.00 0.00 0.00 178.15 179.17 2rjs h SER 451 N 0.64 0.33 -0.37 1.72 0.02 -1.10 0.28 113.55 115.06 2rjs h SER 451 Ca 0.04 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2rjs h SER 451 Cb 1.04 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2rjs h SER 451 CO 0.10 0.33 0.25 0.00 -1.14 0.00 0.00 176.83 176.36 2rjs h ALA 452 N 1.02 0.47 -0.04 3.77 0.00 -0.81 -1.79 119.26 121.88 2rjs h ALA 452 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2rjs h ALA 452 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2rjs h ALA 452 CO -0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 179.25 179.00 2rjs h ARG 453 N 0.50 0.06 -0.13 0.00 3.08 -0.86 -1.26 114.38 115.78 2rjs h ARG 453 Ca 0.14 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2rjs h ARG 453 Cb -0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2rjs h ARG 453 CO -0.03 0.24 0.01 -0.91 -1.07 0.00 0.00 179.97 178.21 2rjs h ASN 454 N 0.06 0.21 -0.68 7.04 2.35 -0.31 -2.09 115.58 122.16 2rjs h ASN 454 Ca 0.01 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 2rjs h ASN 454 Cb 0.34 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2rjs h ASN 454 CO 0.02 0.44 0.38 0.00 -1.65 0.00 0.00 177.43 176.62 2rjs h ALA 455 N 0.77 0.87 -0.55 -0.83 0.00 -1.00 -2.13 119.26 116.40 2rjs h ALA 455 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2rjs h ALA 455 Cb 0.33 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2rjs h ALA 455 CO 0.00 0.38 0.28 -0.09 0.00 0.00 0.00 179.25 179.82 2rjs h ARG 456 N 0.93 0.52 0.21 0.00 2.43 -1.12 -0.14 114.38 117.21 2rjs h ARG 456 Ca 0.24 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2rjs h ARG 456 Cb 0.03 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2rjs h ARG 456 CO -0.04 0.35 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.58 2rjs h ARG 457 N 0.54 -0.27 -0.31 0.20 2.43 -0.99 0.92 114.38 116.91 2rjs h ARG 457 Ca 0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2rjs h ARG 457 Cb 0.16 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2rjs h ARG 457 CO -0.17 -0.12 0.20 0.28 -1.51 0.00 0.00 179.97 178.65 2rjs h VAL 458 N -0.35 1.08 -0.34 0.20 2.07 -1.19 0.15 116.25 117.87 2rjs h VAL 458 Ca -0.03 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2rjs h VAL 458 Cb 0.27 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2rjs h VAL 458 CO 0.05 0.08 -0.07 0.25 0.02 0.00 0.00 177.57 177.89 2rjs h LEU 459 N 0.42 0.66 -0.41 2.57 5.85 -0.64 -1.34 115.31 122.42 2rjs h LEU 459 Ca 0.11 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 2rjs h LEU 459 Cb -0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2rjs h LEU 459 CO -0.02 0.86 0.06 -1.28 -0.34 0.00 0.00 178.44 177.72 2rjs h SER 460 N 0.45 0.65 0.07 1.25 0.87 0.45 -2.71 113.55 114.58 2rjs h SER 460 Ca 0.09 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 2rjs h SER 460 Cb 0.57 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2rjs h SER 460 CO 0.03 0.75 -0.17 0.78 -0.53 0.00 0.00 176.83 177.70 2rjs h ASN 461 N 0.53 0.19 0.29 6.23 2.35 -0.70 -2.51 115.58 121.96 2rjs h ASN 461 Ca 0.12 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2rjs h ASN 461 Cb 0.39 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2rjs h ASN 461 CO 0.01 0.38 -0.25 0.78 -1.65 0.00 0.00 177.43 176.70 2rjs h ASN 462 N 0.19 0.00 -0.16 5.81 2.35 -0.92 -1.89 115.58 120.95 2rjs h ASN 462 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2rjs h ASN 462 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 2rjs h ASN 462 CO 0.03 0.25 -0.20 0.78 -1.65 0.00 0.00 177.43 176.64 2rjs h ASN 463 N 0.00 0.58 -0.21 5.81 2.35 -1.28 0.11 115.58 122.95 2rjs h ASN 463 Ca -0.00 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 2rjs h ASN 463 Cb 0.46 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2rjs h ASN 463 CO 0.03 0.79 -0.15 0.11 -1.65 0.00 0.00 177.43 176.56 2rjs h LYS 464 N 0.52 0.47 0.26 0.81 6.56 -1.40 0.25 116.57 124.05 2rjs h LYS 464 Ca 0.08 -0.23 -0.01 0.00 -1.06 0.00 0.00 60.65 59.43 2rjs h LYS 464 Cb 0.63 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2rjs h LYS 464 CO 0.04 0.78 -0.13 0.82 -2.06 0.00 0.00 179.45 178.91 2rjs h ILE 465 N 0.16 0.73 -0.86 1.86 2.04 -1.28 -1.90 117.51 118.25 2rjs h ILE 465 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2rjs h ILE 465 Cb 0.67 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2rjs h ILE 465 CO 0.04 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.68 2rjs h LEU 466 N -0.36 0.85 -0.44 1.44 3.38 -0.75 -1.64 115.31 117.79 2rjs h LEU 466 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2rjs h LEU 466 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2rjs h LEU 466 CO 0.05 0.55 0.24 0.00 0.09 0.00 0.00 178.44 179.38 2rjs h ALA 467 N 1.53 0.55 -0.88 1.53 0.00 0.09 0.18 119.26 122.27 2rjs h ALA 467 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2rjs h ALA 467 Cb 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2rjs h ALA 467 CO -0.13 -0.09 0.51 0.28 0.00 0.00 0.00 179.25 179.81 2rjs h VAL 468 N 0.49 1.25 -0.36 0.00 2.07 -0.56 -2.14 116.25 116.99 2rjs h VAL 468 Ca 0.18 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2rjs h VAL 468 Cb 0.04 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2rjs h VAL 468 CO -0.10 0.27 0.01 -0.08 0.02 0.00 0.00 177.57 177.69 2rjs h GLU 469 N 1.22 0.64 -0.65 1.57 4.81 -0.56 -1.12 114.58 120.50 2rjs h GLU 469 Ca 0.31 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2rjs h GLU 469 Cb -0.02 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2rjs h GLU 469 CO -0.05 0.74 0.43 1.88 -0.73 0.00 0.00 179.01 181.28 2rjs h TYR 470 N 0.46 0.77 -0.09 0.92 -1.99 -0.37 -0.80 116.97 115.87 2rjs h TYR 470 Ca 0.10 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.68 2rjs h TYR 470 Cb 0.45 -0.26 0.01 0.00 2.00 0.00 0.00 36.73 38.93 2rjs h TYR 470 CO 0.04 0.46 -0.63 -0.07 -0.00 0.00 0.00 178.16 177.95 2rjs h LEU 471 N 0.81 0.72 -0.48 3.88 3.38 -1.20 -2.80 115.31 119.61 2rjs h LEU 471 Ca 0.25 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2rjs h LEU 471 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2rjs h LEU 471 CO -0.07 1.27 0.30 0.00 0.09 0.00 0.00 178.44 180.03 2rjs h ALA 472 N 0.46 0.62 0.29 1.53 0.00 -0.84 -0.40 119.26 120.93 2rjs h ALA 472 Ca -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2rjs h ALA 472 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2rjs h ALA 472 CO 0.13 0.10 -0.25 0.00 0.00 0.00 0.00 179.25 179.23 2rjs h ALA 473 N 1.14 -0.55 -0.82 0.00 0.00 -1.20 0.45 119.26 118.28 2rjs h ALA 473 Ca 0.17 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2rjs h ALA 473 Cb -0.02 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2rjs h ALA 473 CO -0.03 -0.83 0.49 0.00 0.00 0.00 0.00 179.25 178.87 2rjs h ALA 474 N 0.07 1.13 -0.61 0.00 0.00 -1.39 0.10 119.26 118.56 2rjs h ALA 474 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rjs h ALA 474 Cb 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2rjs h ALA 474 CO -0.03 0.20 0.36 0.37 0.00 0.00 0.00 179.25 180.15 2rjs h GLN 475 N 0.88 0.83 0.00 0.00 5.75 -0.41 -1.93 115.11 120.24 2rjs h GLN 475 Ca 0.37 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 2rjs h GLN 475 Cb 0.21 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2rjs h GLN 475 CO -0.19 0.60 -0.35 0.00 -2.65 0.00 0.00 178.83 176.24 2rjs h ALA 476 N 1.18 1.40 0.51 3.38 0.00 0.10 -2.57 119.26 123.27 2rjs h ALA 476 Ca 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 476 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2rjs h ALA 476 CO -0.04 0.44 -0.25 0.28 0.00 0.00 0.00 179.25 179.68 2rjs h VAL 477 N 0.00 0.00 0.00 0.00 2.07 -0.07 -2.67 116.25 115.58 2rjs h VAL 477 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2rjs h VAL 477 Cb 0.63 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2rjs h VAL 477 CO 0.05 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 176.74 2rjs n ASP 478 N -4.11 0.00 -0.02 0.57 5.68 -0.99 -1.27 116.55 116.41 2rjs n ASP 478 Ca -0.09 -1.64 0.07 0.00 -0.50 0.00 0.00 54.79 52.63 2rjs n ASP 478 Cb 0.27 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.11 2rjs n ASP 478 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rjs n ILE 479 N -0.51 0.19 0.70 2.12 3.06 -0.97 -4.13 119.36 119.82 2rjs n ILE 479 Ca 0.00 -0.48 0.10 0.00 -2.50 0.00 0.00 62.75 59.87 2rjs n ILE 479 Cb 0.00 -0.03 -0.12 0.00 0.54 0.00 0.00 39.64 40.03 2rjs n ILE 479 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2rjs n SER 480 N -2.23 0.78 -1.75 9.51 3.41 -0.93 -4.98 113.62 117.42 2rjs n SER 480 Ca -0.07 -0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 57.68 2rjs n SER 480 Cb 0.58 1.23 0.01 0.00 -0.26 0.00 0.00 64.21 65.78 2rjs n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rjs n GLY 481 N 1.44 -0.09 1.99 5.00 0.00 -0.40 -4.93 105.19 108.19 2rjs n GLY 481 Ca 0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 2rjs n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjs n ARG 482 N -2.55 3.46 -0.07 1.61 1.74 -1.05 -4.62 116.66 115.19 2rjs n ARG 482 Ca -0.10 -3.09 -0.10 0.00 -0.77 0.00 0.00 57.85 53.79 2rjs n ARG 482 Cb 0.59 -2.20 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 2rjs n ARG 482 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2rjs h PHE 483 N 2.38 0.35 0.00 -1.55 3.57 -1.92 -2.66 116.94 117.10 2rjs h PHE 483 Ca 0.31 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2rjs h PHE 483 Cb 2.38 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 41.01 2rjs h PHE 483 CO 1.31 0.30 0.00 -0.25 -2.23 0.00 0.00 178.31 177.45 2rjs n ASP 484 N -4.85 0.00 0.02 0.41 8.00 -1.26 -1.94 116.55 116.93 2rjs n ASP 484 Ca -0.02 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.91 2rjs n ASP 484 Cb 0.08 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 2rjs n ASP 484 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rjs n GLY 485 N -0.51 -1.11 3.71 0.44 0.00 -1.01 -4.95 105.19 101.76 2rjs n GLY 485 Ca 0.03 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2rjs n GLY 485 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rjs n LEU 486 N -2.22 4.96 -4.73 0.99 4.77 -0.82 -0.86 117.00 119.08 2rjs n LEU 486 Ca -0.02 0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 56.64 2rjs n LEU 486 Cb 0.53 -1.53 0.16 0.00 -2.33 0.00 0.00 43.42 40.25 2rjs n LEU 486 CO 0.44 -0.83 0.69 -0.94 -1.33 0.00 0.00 177.39 175.42 2rjs s SER 487 N -0.91 2.86 0.23 -1.43 1.04 -1.26 -4.67 113.70 109.55 2rjs s SER 487 Ca 0.71 0.95 -0.06 0.00 0.48 0.00 0.00 55.95 58.02 2rjs s SER 487 Cb -0.43 -1.49 0.34 0.00 0.10 0.00 0.00 66.02 64.54 2rjs s SER 487 CO 0.50 -2.95 1.80 -0.65 0.98 0.00 0.00 173.24 172.92 2rjs h PRO 488 N -1.78 0.69 -0.31 4.02 0.11 -1.81 0.39 132.00 133.32 2rjs h PRO 488 Ca -0.51 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 2rjs h PRO 488 Cb 1.32 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2rjs h PRO 488 CO 0.56 0.45 -0.36 0.00 -0.21 0.00 0.00 178.00 178.45 2rjs h ALA 489 N 1.42 0.79 -0.32 -0.75 0.00 -1.86 -1.41 119.26 117.13 2rjs h ALA 489 Ca 0.36 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2rjs h ALA 489 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2rjs h ALA 489 CO -0.24 0.65 0.17 0.00 0.00 0.00 0.00 179.25 179.83 2rjs h ALA 490 N 1.02 0.41 -0.27 0.00 0.00 -1.53 -1.06 119.26 117.83 2rjs h ALA 490 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2rjs h ALA 490 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2rjs h ALA 490 CO 0.08 -0.04 -0.13 0.87 0.00 0.00 0.00 179.25 180.03 2rjs h LYS 491 N 0.39 0.46 0.10 0.00 1.57 -0.85 -1.33 116.57 116.91 2rjs h LYS 491 Ca 0.11 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2rjs h LYS 491 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2rjs h LYS 491 CO -0.02 0.59 -0.05 0.00 -0.57 0.00 0.00 179.45 179.41 2rjs h ALA 492 N 1.44 -0.13 -0.47 3.86 0.00 -0.63 -0.80 119.26 122.53 2rjs h ALA 492 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2rjs h ALA 492 Cb 0.48 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2rjs h ALA 492 CO 0.03 -0.56 0.31 1.15 0.00 0.00 0.00 179.25 180.18 2rjs h THR 493 N -0.16 1.11 -0.43 0.00 2.02 -0.99 -2.20 112.91 112.26 2rjs h THR 493 Ca -0.01 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.97 2rjs h THR 493 Cb 0.13 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2rjs h THR 493 CO 0.02 0.11 0.25 0.22 0.37 0.00 0.00 175.52 176.50 2rjs h TYR 494 N 0.62 0.47 -0.47 3.16 3.20 -1.02 -2.36 116.97 120.58 2rjs h TYR 494 Ca 0.18 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2rjs h TYR 494 Cb -0.06 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2rjs h TYR 494 CO -0.05 0.27 0.27 0.93 -1.64 0.00 0.00 178.16 177.95 2rjs h GLU 495 N 0.51 0.53 -0.26 1.82 4.39 -0.95 -2.30 114.58 118.31 2rjs h GLU 495 Ca 0.17 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.89 2rjs h GLU 495 Cb 0.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2rjs h GLU 495 CO -0.08 0.35 0.18 0.00 -1.16 0.00 0.00 179.01 178.30 2rjs h ALA 496 N 1.22 2.10 0.11 3.43 0.00 -0.90 0.50 119.26 125.72 2rjs h ALA 496 Ca 0.19 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2rjs h ALA 496 Cb 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rjs h ALA 496 CO -0.10 -0.16 -0.77 0.28 0.00 0.00 0.00 179.25 178.51 2rjs h VAL 497 N 0.11 1.49 0.00 0.00 2.07 -1.01 -3.30 116.25 115.61 2rjs h VAL 497 Ca 0.12 -2.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 2rjs h VAL 497 Cb 0.32 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2rjs h VAL 497 CO -0.01 0.69 -0.33 0.03 0.02 0.00 0.00 177.57 177.96 2rjs h ARG 498 N -0.29 0.00 0.00 1.57 2.47 -1.08 0.41 114.38 117.46 2rjs h ARG 498 Ca -0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2rjs h ARG 498 Cb 1.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 2rjs h ARG 498 CO 0.15 0.33 0.00 -0.09 0.56 0.00 0.00 179.97 180.92 2rjs h ARG 499 N 0.00 0.00 0.00 0.04 2.43 -0.98 -3.18 114.38 112.69 2rjs h ARG 499 Ca -0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 2rjs h ARG 499 Cb 0.74 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 2rjs h ARG 499 CO 0.04 0.00 -1.92 1.28 -1.51 0.00 0.00 179.97 177.86 2rjs n LEU 500 N -3.00 1.96 -3.88 3.80 4.77 -0.65 -5.02 117.00 114.98 2rjs n LEU 500 Ca -0.02 0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 2rjs n LEU 500 Cb 0.15 -0.52 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 2rjs n LEU 500 CO 0.22 0.53 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.70 2rjs s VAL 501 N -2.31 0.63 0.97 4.08 1.01 0.14 -5.05 120.40 119.87 2rjs s VAL 501 Ca -0.22 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 2rjs s VAL 501 Cb 0.07 -0.67 0.17 0.00 0.00 0.00 0.00 36.38 35.96 2rjs s VAL 501 CO 0.32 0.27 1.12 -2.16 0.00 0.00 0.00 175.10 174.64 2rjs s PRO 502 N 1.21 0.65 0.89 2.72 0.04 -1.26 -3.76 135.00 135.49 2rjs s PRO 502 Ca -0.06 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 2rjs s PRO 502 Cb -0.14 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.75 2rjs s PRO 502 CO -0.02 -2.55 1.12 2.41 0.04 0.00 0.00 177.00 178.01 2rjs n THR 503 N -4.02 0.64 -3.35 1.26 -1.04 -1.26 -4.96 114.28 101.54 2rjs n THR 503 Ca 0.06 -0.08 -0.45 0.00 -2.04 0.00 0.00 64.05 61.54 2rjs n THR 503 Cb 0.58 -1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 67.99 2rjs n THR 503 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2rjs s LEU 504 N -6.00 5.95 0.00 -4.42 2.96 -1.26 -4.98 118.68 110.93 2rjs s LEU 504 Ca 0.68 -1.63 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 2rjs s LEU 504 Cb -0.25 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.25 2rjs s LEU 504 CO 0.56 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 2rjs n GLY 505 N 5.21 1.83 3.76 7.98 0.00 -1.26 -4.56 105.19 118.15 2rjs n GLY 505 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2rjs n GLY 505 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rjs s VAL 506 N 0.08 3.18 0.52 1.61 -7.23 -1.26 -4.51 120.40 112.79 2rjs s VAL 506 Ca 0.00 0.38 -0.14 0.00 -1.81 0.00 0.00 61.98 60.42 2rjs s VAL 506 Cb 0.00 -2.91 -0.07 0.00 0.56 0.00 0.00 36.38 33.96 2rjs s VAL 506 CO 0.00 -0.50 0.95 1.51 -0.31 0.00 0.00 175.10 176.74 2rjs s ASP 507 N -3.48 6.51 0.29 4.85 1.47 -1.26 -5.05 116.67 119.99 2rjs s ASP 507 Ca 0.61 1.43 -0.18 0.00 1.18 0.00 0.00 52.55 55.60 2rjs s ASP 507 Cb -0.17 -2.46 0.02 0.00 -0.34 0.00 0.00 42.92 39.97 2rjs s ASP 507 CO 0.56 -0.61 0.66 0.00 0.68 0.00 0.00 175.17 176.46 2rjs s ARG 508 N -4.29 1.78 -0.40 2.11 1.70 -1.26 -5.10 118.95 113.49 2rjs s ARG 508 Ca 0.56 -1.13 -0.39 0.00 -0.47 0.00 0.00 55.73 54.30 2rjs s ARG 508 Cb -0.10 0.57 -0.15 0.00 -0.57 0.00 0.00 34.95 34.70 2rjs s ARG 508 CO 0.37 -0.80 2.12 0.98 -1.08 0.00 0.00 175.30 176.89 2rjs n TYR 509 N -0.45 1.47 0.08 5.89 9.36 -1.26 -4.86 117.16 127.39 2rjs n TYR 509 Ca -0.04 0.50 -0.19 0.00 3.32 0.00 0.00 57.90 61.50 2rjs n TYR 509 Cb 0.60 -2.43 -0.15 0.00 -0.63 0.00 0.00 39.34 36.74 2rjs n TYR 509 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2rjs h MET 510 N 10.53 0.32 -0.83 2.98 2.86 -1.99 -3.41 114.93 125.39 2rjs h MET 510 Ca -0.22 -0.55 0.07 0.00 -2.06 0.00 0.00 59.70 56.94 2rjs h MET 510 Cb 1.36 0.20 -0.10 0.00 0.06 0.00 0.00 31.60 33.12 2rjs h MET 510 CO 1.04 1.21 -0.49 0.00 1.06 0.00 0.00 176.91 179.73 2rjs n ALA 511 N -2.70 -0.53 -0.34 6.32 0.00 -1.26 -0.83 120.51 121.17 2rjs n ALA 511 Ca -0.17 0.70 0.11 0.00 0.00 0.00 0.00 53.44 54.08 2rjs n ALA 511 Cb 1.06 -0.10 0.30 0.00 0.00 0.00 0.00 19.45 20.71 2rjs n ALA 511 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rjs h ASP 512 N 0.00 0.82 -0.31 0.00 3.32 -2.00 -1.00 116.42 117.25 2rjs h ASP 512 Ca 0.13 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2rjs h ASP 512 Cb 0.34 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2rjs h ASP 512 CO -0.78 0.37 -0.21 0.44 -1.72 0.00 0.00 179.24 177.34 2rjs h ASP 513 N 0.84 0.80 -0.17 6.45 3.32 -1.24 -1.67 116.42 124.76 2rjs h ASP 513 Ca 0.52 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2rjs h ASP 513 Cb 0.71 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 2rjs h ASP 513 CO -0.30 0.99 -0.17 0.40 -1.72 0.00 0.00 179.24 178.45 2rjs h ILE 514 N 0.69 1.34 0.00 0.35 2.04 -0.57 -2.49 117.51 118.87 2rjs h ILE 514 Ca 0.10 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2rjs h ILE 514 Cb 0.73 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2rjs h ILE 514 CO 0.06 0.40 -0.25 -0.08 0.00 0.00 0.00 178.15 178.28 2rjs h GLU 515 N 0.06 0.00 -0.12 2.37 4.57 -1.25 0.07 114.58 120.29 2rjs h GLU 515 Ca 0.03 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2rjs h GLU 515 Cb 0.70 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2rjs h GLU 515 CO 0.04 0.25 -0.05 1.25 -1.18 0.00 0.00 179.01 179.32 2rjs h LEU 516 N 0.00 0.25 -0.93 1.64 5.85 -1.16 -1.30 115.31 119.66 2rjs h LEU 516 Ca -0.00 -0.39 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 2rjs h LEU 516 Cb 0.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2rjs h LEU 516 CO 0.03 0.59 -0.44 0.58 -0.34 0.00 0.00 178.44 178.86 2rjs h VAL 517 N -0.09 1.06 -0.13 1.05 2.07 -1.18 -2.84 116.25 116.20 2rjs h VAL 517 Ca 0.03 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 2rjs h VAL 517 Cb 0.49 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2rjs h VAL 517 CO 0.02 0.43 -0.06 0.00 0.02 0.00 0.00 177.57 177.97 2rjs h ALA 518 N 1.56 0.18 -0.62 1.67 0.00 -0.81 -1.59 119.26 119.66 2rjs h ALA 518 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2rjs h ALA 518 Cb 0.92 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2rjs h ALA 518 CO 0.06 -0.03 0.24 -0.44 0.00 0.00 0.00 179.25 179.08 2rjs h ASP 519 N -0.07 0.86 -0.69 0.00 3.32 -1.22 -1.77 116.42 116.84 2rjs h ASP 519 Ca 0.03 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2rjs h ASP 519 Cb 0.52 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2rjs h ASP 519 CO 0.02 0.80 0.43 0.00 -1.72 0.00 0.00 179.24 178.77 2rjs h ALA 520 N 1.09 0.90 -0.94 3.45 0.00 -1.47 -1.69 119.26 120.60 2rjs h ALA 520 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2rjs h ALA 520 Cb 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2rjs h ALA 520 CO -0.02 0.19 0.60 -0.07 0.00 0.00 0.00 179.25 179.95 2rjs h LEU 521 N 0.83 1.10 0.00 0.00 3.38 -0.85 -0.30 115.31 119.47 2rjs h LEU 521 Ca 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2rjs h LEU 521 Cb 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2rjs h LEU 521 CO -0.11 0.82 0.00 -1.54 0.09 0.00 0.00 178.44 177.69 2rjs n SER 522 N -4.40 0.00 -0.39 -0.43 3.41 -0.69 -1.71 113.62 109.41 2rjs n SER 522 Ca 0.11 0.48 0.10 0.00 -0.26 0.00 0.00 58.87 59.30 2rjs n SER 522 Cb 0.03 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 2rjs n SER 522 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rjs n ARG 523 N -1.49 1.15 -1.66 4.33 1.74 -0.25 -4.96 116.66 115.53 2rjs n ARG 523 Ca 0.04 -0.80 -0.06 0.00 -0.77 0.00 0.00 57.85 56.26 2rjs n ARG 523 Cb 0.19 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 2rjs n ARG 523 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rjs n GLY 524 N 1.39 0.48 0.38 -0.13 0.00 -0.69 -4.91 105.19 101.70 2rjs n GLY 524 Ca 0.08 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.54 2rjs n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rjs h GLU 525 N 0.00 0.57 -6.88 1.61 4.39 -1.45 -3.07 114.58 109.75 2rjs h GLU 525 Ca -0.14 -0.03 -0.47 0.00 0.34 0.00 0.00 59.36 59.06 2rjs h GLU 525 Cb 0.76 -0.13 0.04 0.00 -0.10 0.00 0.00 28.75 29.32 2rjs h GLU 525 CO 0.18 0.38 0.03 -0.06 -1.16 0.00 0.00 179.01 178.37 2rjs s PHE 526 N -5.59 3.24 0.00 4.33 0.08 -1.26 -2.03 117.98 116.74 2rjs s PHE 526 Ca -0.09 0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.38 2rjs s PHE 526 Cb 0.22 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2rjs s PHE 526 CO 0.79 -0.56 0.00 -0.11 -0.10 0.00 0.00 175.22 175.23 2rjs n LEU 527 N -2.30 0.00 -0.12 -0.37 7.94 -1.26 -4.31 117.00 116.57 2rjs n LEU 527 Ca 0.03 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.76 2rjs n LEU 527 Cb 0.58 -0.02 -0.13 0.00 0.53 0.00 0.00 43.42 44.37 2rjs n LEU 527 CO 0.50 0.00 -1.29 -1.14 -1.11 0.00 0.00 177.39 174.35 2rjs n ARG 528 N -1.68 0.66 0.04 1.96 0.63 -1.16 -3.40 116.66 113.71 2rjs n ARG 528 Ca 0.00 0.13 -0.05 0.00 -0.92 0.00 0.00 57.85 57.00 2rjs n ARG 528 Cb 0.00 -1.53 0.14 0.00 0.45 0.00 0.00 32.46 31.52 2rjs n ARG 528 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rjs h ALA 529 N 0.19 0.92 -0.32 5.13 0.00 -1.60 -1.35 119.26 122.23 2rjs h ALA 529 Ca -0.57 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 53.72 2rjs h ALA 529 Cb 1.97 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2rjs h ALA 529 CO -0.06 0.64 -0.46 0.82 0.00 0.00 0.00 179.25 180.19 2rjs h ILE 530 N 0.34 1.28 -0.41 0.00 1.08 -1.87 -0.90 117.51 117.02 2rjs h ILE 530 Ca 0.02 -1.65 -0.10 0.00 -0.39 0.00 0.00 64.86 62.75 2rjs h ILE 530 Cb 0.92 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 2rjs h ILE 530 CO 0.08 0.54 -0.14 0.00 -0.69 0.00 0.00 178.15 177.94 2rjs h ALA 531 N 0.78 0.57 0.00 1.87 0.00 -1.54 -1.57 119.26 119.38 2rjs h ALA 531 Ca 0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2rjs h ALA 531 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2rjs h ALA 531 CO 0.11 0.48 -0.33 -0.09 0.00 0.00 0.00 179.25 179.42 2rjs h ARG 532 N 0.64 0.00 -0.27 0.00 2.43 -1.23 -3.32 114.38 112.62 2rjs h ARG 532 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2rjs h ARG 532 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2rjs h ARG 532 CO 0.05 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 179.23 2rjs n GLU 533 N -3.26 2.90 0.00 0.20 -0.58 -0.35 -5.00 120.64 114.55 2rjs n GLU 533 Ca 0.02 -1.94 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 2rjs n GLU 533 Cb 0.60 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 2rjs n GLU 533 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2rjs n THR 534 N 0.27 0.00 -2.73 2.62 -1.04 -0.59 -4.90 114.28 107.91 2rjs n THR 534 Ca 0.09 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.07 2rjs n THR 534 Cb 0.39 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.95 2rjs n THR 534 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2rjs n ASP 535 N 0.00 2.02 -4.66 8.00 5.75 -1.26 -4.89 116.55 121.51 2rjs n ASP 535 Ca 0.00 -2.26 -0.49 0.00 -0.01 0.00 0.00 54.79 52.03 2rjs n ASP 535 Cb 0.00 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 39.58 2rjs n ASP 535 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2rjs n ILE 536 N -0.61 0.52 -3.14 2.12 5.41 -1.26 -4.90 119.36 117.49 2rjs n ILE 536 Ca 0.12 -0.13 -0.44 0.00 1.00 0.00 0.00 62.75 63.30 2rjs n ILE 536 Cb 0.82 -1.83 -0.06 0.00 -0.71 0.00 0.00 39.64 37.86 2rjs n ILE 536 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2rjs s GLN 537 N 4.36 3.13 0.04 0.38 2.00 -1.26 -4.62 119.66 123.69 2rjs s GLN 537 Ca 0.95 -0.86 -0.25 0.00 -2.00 0.00 0.00 55.36 53.21 2rjs s GLN 537 Cb -0.72 -4.09 -0.05 0.00 0.80 0.00 0.00 33.01 28.94 2rjs s GLN 537 CO 0.52 -1.23 0.77 -0.51 -0.50 0.00 0.00 175.29 174.34 2rjs s LEU 538 N 2.68 4.44 0.00 3.68 1.43 -1.26 -5.01 118.68 124.64 2rjs s LEU 538 Ca 0.16 1.44 0.26 0.00 -1.03 0.00 0.00 54.13 54.95 2rjs s LEU 538 Cb -0.19 -3.23 1.54 0.00 0.03 0.00 0.00 46.19 44.35 2rjs s LEU 538 CO 0.12 0.00 1.90 0.54 0.23 0.00 0.00 176.35 179.14