#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n62 s ILE 2 N 0.00 4.44 0.67 1.12 -1.09 -1.13 -4.59 121.20 120.62 1n62 s ILE 2 Ca 0.00 -0.27 -0.15 0.00 -2.23 0.00 0.00 60.65 58.00 1n62 s ILE 2 Cb 0.00 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.73 1n62 s ILE 2 CO 0.00 0.22 1.12 -2.84 -1.23 0.00 0.00 174.94 172.21 1n62 s PRO 3 N 1.61 2.71 0.72 2.79 0.02 -1.25 -4.76 135.00 136.84 1n62 s PRO 3 Ca 0.06 1.43 -0.13 0.00 0.02 0.00 0.00 61.00 62.37 1n62 s PRO 3 Cb -0.16 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.46 1n62 s PRO 3 CO 0.05 -1.33 1.10 0.20 -0.33 0.00 0.00 177.00 176.69 1n62 s GLY 4 N -2.54 1.91 0.68 0.52 0.00 -1.26 -4.99 107.32 101.64 1n62 s GLY 4 Ca 0.68 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 45.64 1n62 s GLY 4 CO 0.42 0.76 1.22 -1.35 0.00 0.00 0.00 173.10 174.16 1n62 s SER 5 N -2.98 4.51 0.15 1.64 1.04 -1.26 -4.96 113.70 111.85 1n62 s SER 5 Ca 0.64 2.40 -0.15 0.00 0.48 0.00 0.00 55.95 59.33 1n62 s SER 5 Cb -0.19 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.36 1n62 s SER 5 CO 0.49 -2.05 0.40 0.72 0.98 0.00 0.00 173.24 173.79 1n62 s PHE 6 N -1.80 -0.05 0.23 5.02 -0.12 -1.26 -4.65 117.98 115.35 1n62 s PHE 6 Ca 0.76 -0.29 -0.11 0.00 -0.05 0.00 0.00 56.93 57.24 1n62 s PHE 6 Cb -0.31 0.23 -0.07 0.00 -0.63 0.00 0.00 43.02 42.23 1n62 s PHE 6 CO 0.41 -0.76 0.58 -0.51 -0.05 0.00 0.00 175.22 174.89 1n62 s ASP 7 N -2.86 6.68 -0.06 1.98 1.01 0.81 -4.94 116.67 119.29 1n62 s ASP 7 Ca 0.07 1.00 0.05 0.00 0.71 0.00 0.00 52.55 54.39 1n62 s ASP 7 Cb 0.01 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1n62 s ASP 7 CO -0.07 -0.07 -0.24 -0.47 0.21 0.00 0.00 175.17 174.53 1n62 s TYR 8 N -1.79 2.38 0.05 4.23 5.04 -1.26 -0.76 117.35 125.24 1n62 s TYR 8 Ca 0.47 -0.76 0.05 0.00 -2.44 0.00 0.00 57.07 54.39 1n62 s TYR 8 Cb -0.12 -1.57 -0.02 0.00 0.35 0.00 0.00 41.96 40.60 1n62 s TYR 8 CO 0.20 -0.25 -0.15 -1.01 -1.34 0.00 0.00 175.55 172.99 1n62 s HIS 9 N -0.03 1.35 -0.56 4.97 3.76 -0.16 -4.98 115.29 119.63 1n62 s HIS 9 Ca -0.07 -0.37 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1n62 s HIS 9 Cb -0.14 -0.79 0.21 0.00 1.11 0.00 0.00 32.58 32.96 1n62 s HIS 9 CO 0.05 0.06 0.54 0.54 -0.85 0.00 0.00 174.74 175.07 1n62 n ARG 10 N 1.76 1.45 -1.74 1.40 1.74 -1.26 -0.42 116.66 119.58 1n62 n ARG 10 Ca -0.18 -4.00 -0.37 0.00 -0.77 0.00 0.00 57.85 52.52 1n62 n ARG 10 Cb 0.54 -1.93 0.06 0.00 -1.02 0.00 0.00 32.46 30.11 1n62 n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1n62 s PRO 11 N -1.36 2.72 0.01 5.56 0.04 -1.25 -4.91 135.00 135.80 1n62 s PRO 11 Ca 0.33 2.13 0.23 0.00 0.04 0.00 0.00 61.00 63.73 1n62 s PRO 11 Cb 0.07 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.77 1n62 s PRO 11 CO -0.12 -1.49 1.14 1.63 0.04 0.00 0.00 177.00 178.20 1n62 n LYS 12 N -1.65 0.05 -3.95 4.56 5.02 -1.26 -4.29 118.16 116.64 1n62 n LYS 12 Ca 0.14 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.34 1n62 n LYS 12 Cb 0.47 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 1n62 n LYS 12 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1n62 s SER 13 N -3.15 0.09 0.19 4.39 1.04 -1.26 -4.52 113.70 110.47 1n62 s SER 13 Ca 0.08 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.56 1n62 s SER 13 Cb 0.16 0.39 0.17 0.00 0.10 0.00 0.00 66.02 66.84 1n62 s SER 13 CO 0.79 -0.83 1.77 0.40 0.98 0.00 0.00 173.24 176.35 1n62 h ILE 14 N 2.64 0.91 -0.88 -1.02 2.04 -1.95 -1.04 117.51 118.21 1n62 h ILE 14 Ca -0.33 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1n62 h ILE 14 Cb 1.22 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1n62 h ILE 14 CO 0.52 0.09 0.51 0.00 0.00 0.00 0.00 178.15 179.27 1n62 h ALA 15 N 1.31 1.12 -0.54 1.87 0.00 -1.99 0.12 119.26 121.16 1n62 h ALA 15 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1n62 h ALA 15 Cb 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1n62 h ALA 15 CO -0.19 0.60 -0.02 -0.44 0.00 0.00 0.00 179.25 179.19 1n62 h ASP 16 N 1.21 0.90 -0.43 0.00 5.19 -1.85 0.48 116.42 121.93 1n62 h ASP 16 Ca 0.31 -0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 1n62 h ASP 16 Cb -0.02 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 1n62 h ASP 16 CO -0.06 0.97 0.07 0.00 -3.12 0.00 0.00 179.24 177.10 1n62 h ALA 17 N 1.12 0.57 -0.64 3.45 0.00 -0.16 -0.61 119.26 122.99 1n62 h ALA 17 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1n62 h ALA 17 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1n62 h ALA 17 CO 0.03 0.29 0.28 0.28 0.00 0.00 0.00 179.25 180.13 1n62 h VAL 18 N 0.57 1.23 -0.57 0.00 2.07 -0.50 0.35 116.25 119.40 1n62 h VAL 18 Ca 0.13 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1n62 h VAL 18 Cb 0.38 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1n62 h VAL 18 CO 0.01 0.27 0.19 0.00 0.02 0.00 0.00 177.57 178.06 1n62 h ALA 19 N 1.12 1.26 -0.06 1.67 0.00 -0.57 -0.40 119.26 122.27 1n62 h ALA 19 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n62 h ALA 19 Cb 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n62 h ALA 19 CO -0.02 0.53 -0.04 1.25 0.00 0.00 0.00 179.25 180.97 1n62 h LEU 20 N 0.83 0.15 -1.45 0.00 5.85 -0.57 0.66 115.31 120.77 1n62 h LEU 20 Ca 0.19 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1n62 h LEU 20 Cb 0.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1n62 h LEU 20 CO -0.01 0.54 0.34 -0.07 -0.34 0.00 0.00 178.44 178.90 1n62 h LEU 21 N -0.25 0.62 -0.20 2.25 3.38 -0.71 0.64 115.31 121.05 1n62 h LEU 21 Ca 0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1n62 h LEU 21 Cb 0.49 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1n62 h LEU 21 CO 0.01 0.46 -0.12 0.74 0.09 0.00 0.00 178.44 179.62 1n62 h THR 22 N 0.73 1.32 -0.03 0.22 2.02 -0.75 -1.60 112.91 114.80 1n62 h THR 22 Ca 0.19 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1n62 h THR 22 Cb -0.06 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1n62 h THR 22 CO -0.04 0.37 0.02 0.50 0.37 0.00 0.00 175.52 176.74 1n62 h LYS 23 N 0.12 0.05 0.00 6.66 3.64 -0.50 -3.20 116.57 123.34 1n62 h LYS 23 Ca 0.04 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1n62 h LYS 23 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1n62 h LYS 23 CO 0.03 0.05 -0.54 1.28 -2.27 0.00 0.00 179.45 178.01 1n62 n LEU 24 N -5.06 0.67 0.00 5.20 4.77 0.19 -5.01 117.00 117.76 1n62 n LEU 24 Ca -0.06 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1n62 n LEU 24 Cb 0.04 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1n62 n LEU 24 CO 0.33 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1n62 n GLY 25 N 1.36 1.69 0.27 -0.72 0.00 -0.61 -3.26 105.19 103.91 1n62 n GLY 25 Ca 0.04 -0.57 0.18 0.00 0.00 0.00 0.00 46.02 45.67 1n62 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n62 h GLU 26 N 0.00 0.00 0.00 1.61 4.81 -1.94 0.70 114.58 119.76 1n62 h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n62 h GLU 26 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1n62 h GLU 26 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1n62 n ASP 27 N -2.96 0.01 -4.33 1.04 8.00 -1.20 -4.69 116.55 112.42 1n62 n ASP 27 Ca -0.00 0.50 -0.32 0.00 0.71 0.00 0.00 54.79 55.68 1n62 n ASP 27 Cb 0.24 -0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 40.68 1n62 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n62 s ALA 28 N -3.01 2.31 0.00 2.24 0.00 0.24 0.28 121.76 123.83 1n62 s ALA 28 Ca 0.06 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1n62 s ALA 28 Cb 0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1n62 s ALA 28 CO 0.24 0.45 -0.22 1.03 0.00 0.00 0.00 175.76 177.26 1n62 s ARG 29 N -0.30 2.12 0.37 0.00 1.81 -0.32 -4.85 118.95 117.77 1n62 s ARG 29 Ca 0.01 -0.93 -0.28 0.00 -1.72 0.00 0.00 55.73 52.81 1n62 s ARG 29 Cb -0.13 -2.14 -0.11 0.00 -0.45 0.00 0.00 34.95 32.13 1n62 s ARG 29 CO 0.02 0.56 1.42 -2.14 -0.68 0.00 0.00 175.30 174.48 1n62 s PRO 30 N -0.98 4.17 -0.26 3.54 0.02 -1.26 -0.72 135.00 139.51 1n62 s PRO 30 Ca 0.12 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 63.56 1n62 s PRO 30 Cb -0.10 -2.98 0.03 0.00 0.02 0.00 0.00 34.50 31.46 1n62 s PRO 30 CO 0.02 -0.43 -0.04 -1.17 -0.33 0.00 0.00 177.00 175.04 1n62 s LEU 31 N -2.04 3.35 0.00 -5.54 2.96 0.70 -4.79 118.68 113.33 1n62 s LEU 31 Ca 0.52 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1n62 s LEU 31 Cb -0.44 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1n62 s LEU 31 CO 0.59 -0.15 0.00 0.00 -1.32 0.00 0.00 176.35 175.47 1n62 n ALA 32 N 4.68 0.00 0.48 5.97 0.00 -1.26 -1.38 120.51 129.00 1n62 n ALA 32 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 1n62 n ALA 32 Cb 0.46 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.32 1n62 n ALA 32 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n62 h GLY 33 N 0.00 0.00 0.00 0.00 0.00 -1.92 -3.46 103.07 97.69 1n62 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n62 h GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1n62 n GLY 34 N 0.92 0.45 0.78 4.60 0.00 -1.26 -4.59 105.19 106.08 1n62 n GLY 34 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1n62 n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n62 n HIS 35 N -2.38 0.44 -0.03 1.61 8.25 -1.26 -0.62 115.22 121.23 1n62 n HIS 35 Ca 0.00 -0.22 -0.03 0.00 -0.26 0.00 0.00 57.72 57.21 1n62 n HIS 35 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1n62 n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1n62 n SER 36 N 0.74 3.67 -0.04 0.41 7.64 -1.26 -4.72 113.62 120.07 1n62 n SER 36 Ca 0.16 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1n62 n SER 36 Cb 0.40 0.26 -0.09 0.00 -1.01 0.00 0.00 64.21 63.77 1n62 n SER 36 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1n62 h LEU 37 N 0.00 0.25 -0.82 -3.43 5.85 -1.95 -2.89 115.31 112.31 1n62 h LEU 37 Ca -0.13 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 1n62 h LEU 37 Cb 1.26 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1n62 h LEU 37 CO -0.01 0.79 0.43 0.40 -0.34 0.00 0.00 178.44 179.71 1n62 h ILE 38 N -0.28 1.25 -0.97 4.05 2.04 -1.19 0.35 117.51 122.76 1n62 h ILE 38 Ca -0.00 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1n62 h ILE 38 Cb 0.76 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1n62 h ILE 38 CO 0.03 0.29 0.64 -0.65 0.00 0.00 0.00 178.15 178.46 1n62 h PRO 39 N 1.16 1.21 0.00 2.37 0.11 -1.71 0.70 132.00 135.84 1n62 h PRO 39 Ca 0.29 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1n62 h PRO 39 Cb 0.07 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1n62 h PRO 39 CO -0.04 0.80 -0.20 -0.84 -0.21 0.00 0.00 178.00 177.51 1n62 h ILE 40 N 1.25 0.00 -0.32 4.15 3.07 -1.21 -2.64 117.51 121.81 1n62 h ILE 40 Ca 0.38 -0.51 -0.17 0.00 1.55 0.00 0.00 64.86 66.11 1n62 h ILE 40 Cb -0.02 1.38 -0.00 0.00 -0.27 0.00 0.00 36.82 37.90 1n62 h ILE 40 CO -0.11 0.00 -0.48 0.24 -1.05 0.00 0.00 178.15 176.75 1n62 h MET 41 N 0.00 0.89 0.00 0.16 2.86 0.07 -0.57 114.93 118.34 1n62 h MET 41 Ca 0.00 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.08 1n62 h MET 41 Cb 0.75 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1n62 h MET 41 CO 0.00 1.16 -0.17 0.87 1.06 0.00 0.00 176.91 179.83 1n62 h LYS 42 N 0.70 0.00 -0.01 1.72 1.57 -0.56 -0.35 116.57 119.64 1n62 h LYS 42 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1n62 h LYS 42 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1n62 h LYS 42 CO 0.11 0.17 -0.19 0.25 -0.57 0.00 0.00 179.45 179.22 1n62 n THR 43 N -3.84 0.00 -2.45 -0.16 -2.24 -1.04 0.09 114.28 104.65 1n62 n THR 43 Ca -0.02 -0.18 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 1n62 n THR 43 Cb 0.27 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 1n62 n THR 43 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n62 n ARG 44 N -0.31 -2.03 0.17 -0.78 1.74 -0.14 -4.83 116.66 110.47 1n62 n ARG 44 Ca 0.14 0.85 0.05 0.00 -0.77 0.00 0.00 57.85 58.12 1n62 n ARG 44 Cb 0.37 -5.50 0.18 0.00 -1.02 0.00 0.00 32.46 26.49 1n62 n ARG 44 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1n62 h LEU 45 N -0.07 0.00 -8.35 0.55 3.38 -1.39 -3.40 115.31 106.04 1n62 h LEU 45 Ca -0.42 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.88 1n62 h LEU 45 Cb 1.31 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.74 1n62 h LEU 45 CO 0.50 0.38 -0.85 0.00 0.09 0.00 0.00 178.44 178.56 1n62 s ALA 46 N -3.23 2.32 -0.46 1.53 0.00 -0.60 -4.99 121.76 116.34 1n62 s ALA 46 Ca 0.03 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.07 1n62 s ALA 46 Cb 0.08 -1.01 0.34 0.00 0.00 0.00 0.00 23.12 22.54 1n62 s ALA 46 CO 0.71 0.12 0.81 0.25 0.00 0.00 0.00 175.76 177.65 1n62 n THR 47 N 3.79 1.17 -1.98 0.00 -2.24 -1.26 -4.13 114.28 109.62 1n62 n THR 47 Ca -0.19 -4.98 -0.38 0.00 -2.27 0.00 0.00 64.05 56.22 1n62 n THR 47 Cb 0.52 -0.81 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1n62 n THR 47 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n62 s PRO 48 N -2.81 3.47 0.05 -0.78 0.04 -1.26 -4.92 135.00 128.79 1n62 s PRO 48 Ca 0.43 2.07 0.24 0.00 0.04 0.00 0.00 61.00 63.79 1n62 s PRO 48 Cb 0.31 -2.38 0.40 0.00 0.04 0.00 0.00 34.50 32.87 1n62 s PRO 48 CO -0.10 -0.87 1.34 0.39 0.04 0.00 0.00 177.00 177.79 1n62 n GLU 49 N -0.68 0.14 -3.82 4.56 -0.58 0.14 -4.58 120.64 115.82 1n62 n GLU 49 Ca 0.08 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.73 1n62 n GLU 49 Cb 0.46 -1.58 -0.13 0.00 -0.57 0.00 0.00 31.44 29.62 1n62 n GLU 49 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1n62 s HIS 50 N -3.08 -0.10 -0.14 -0.32 3.76 0.34 -0.13 115.29 115.61 1n62 s HIS 50 Ca 0.08 0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 1n62 s HIS 50 Cb 0.16 0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.83 1n62 s HIS 50 CO 0.72 -0.07 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.93 1n62 s LEU 51 N 0.28 2.92 -0.66 0.89 1.43 0.06 -1.17 118.68 122.43 1n62 s LEU 51 Ca -0.02 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1n62 s LEU 51 Cb -0.03 -1.68 0.17 0.00 0.03 0.00 0.00 46.19 44.68 1n62 s LEU 51 CO -0.01 0.16 0.52 -0.69 0.23 0.00 0.00 176.35 176.57 1n62 s VAL 52 N 0.38 4.39 -0.13 -1.59 1.01 0.10 -0.99 120.40 123.57 1n62 s VAL 52 Ca -0.08 -2.60 -0.29 0.00 0.00 0.00 0.00 61.98 59.00 1n62 s VAL 52 Cb -0.15 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1n62 s VAL 52 CO 0.04 -0.91 1.17 -0.62 0.00 0.00 0.00 175.10 174.79 1n62 s ASP 53 N 1.49 7.05 0.00 3.32 -1.08 0.43 -0.21 116.67 127.67 1n62 s ASP 53 Ca 0.15 1.66 0.22 0.00 -0.52 0.00 0.00 52.55 54.06 1n62 s ASP 53 Cb -0.18 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.80 1n62 s ASP 53 CO -0.05 -0.65 1.71 0.18 0.52 0.00 0.00 175.17 176.89 1n62 n LEU 54 N 5.88 0.71 -0.18 -1.34 4.77 -0.48 -3.85 117.00 122.51 1n62 n LEU 54 Ca 0.12 -0.29 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1n62 n LEU 54 Cb 0.46 -0.04 0.42 0.00 -2.33 0.00 0.00 43.42 41.94 1n62 n LEU 54 CO 0.54 0.14 1.21 -0.09 -1.33 0.00 0.00 177.39 177.87 1n62 h ARG 55 N 0.98 0.58 -0.01 3.23 2.43 -1.89 -1.65 114.38 118.05 1n62 h ARG 55 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1n62 h ARG 55 Cb 0.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1n62 h ARG 55 CO 0.00 0.38 -0.03 -0.25 -1.51 0.00 0.00 179.97 178.56 1n62 n ASP 56 N -4.50 0.80 -4.43 -3.80 8.00 -1.26 -4.63 116.55 106.73 1n62 n ASP 56 Ca 0.13 -1.13 -0.44 0.00 0.71 0.00 0.00 54.79 54.06 1n62 n ASP 56 Cb 0.38 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1n62 n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n62 s ILE 57 N -2.12 4.95 0.57 0.53 1.01 -0.62 -4.79 121.20 120.74 1n62 s ILE 57 Ca 0.39 -1.96 0.36 0.00 0.00 0.00 0.00 60.65 59.44 1n62 s ILE 57 Cb 0.21 -4.75 0.39 0.00 0.01 0.00 0.00 42.46 38.31 1n62 s ILE 57 CO 0.38 -1.45 2.27 1.23 0.00 0.00 0.00 174.94 177.37 1n62 h GLY 58 N 9.79 0.00 1.61 6.18 0.00 -1.85 -1.62 103.07 117.17 1n62 h GLY 58 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.56 1n62 h GLY 58 CO 1.08 0.00 0.15 -0.55 0.00 0.00 0.00 176.54 177.22 1n62 h ASP 59 N 0.00 0.00 0.50 0.19 5.19 -1.95 -2.23 116.42 118.12 1n62 h ASP 59 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1n62 h ASP 59 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1n62 h ASP 59 CO 0.00 0.00 -0.24 0.18 -3.12 0.00 0.00 179.24 176.06 1n62 n LEU 60 N -4.16 0.49 -4.51 1.55 4.77 -0.61 -4.76 117.00 109.76 1n62 n LEU 60 Ca 0.01 0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.70 1n62 n LEU 60 Cb 0.28 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 1n62 n LEU 60 CO 0.32 0.10 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.46 1n62 s VAL 61 N -2.74 4.05 0.00 4.08 1.01 -0.84 -0.15 120.40 125.80 1n62 s VAL 61 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1n62 s VAL 61 Cb 0.19 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1n62 s VAL 61 CO 0.57 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.75 1n62 n GLY 62 N 3.64 3.15 2.86 4.51 0.00 -1.26 -4.83 105.19 113.25 1n62 n GLY 62 Ca -0.17 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 1n62 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n62 s ILE 63 N -2.00 0.93 -0.02 -0.61 1.01 -1.26 -0.14 121.20 119.11 1n62 s ILE 63 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1n62 s ILE 63 Cb 0.00 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1n62 s ILE 63 CO 0.00 0.14 -0.15 -0.60 0.00 0.00 0.00 174.94 174.33 1n62 s ARG 64 N 1.71 1.33 -0.02 2.79 3.52 0.22 -4.97 118.95 123.53 1n62 s ARG 64 Ca 0.02 -0.53 -0.25 0.00 -0.13 0.00 0.00 55.73 54.85 1n62 s ARG 64 Cb -0.15 -1.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1n62 s ARG 64 CO -0.07 0.28 0.75 -1.21 -0.81 0.00 0.00 175.30 174.23 1n62 s GLU 65 N -0.18 4.46 -0.19 5.12 2.02 -1.26 0.08 118.70 128.74 1n62 s GLU 65 Ca 0.02 0.99 -0.07 0.00 0.02 0.00 0.00 54.97 55.94 1n62 s GLU 65 Cb -0.08 -3.42 0.09 0.00 0.10 0.00 0.00 34.13 30.82 1n62 s GLU 65 CO 0.00 0.13 0.40 -2.00 0.02 0.00 0.00 175.26 173.82 1n62 s GLU 66 N 0.51 0.31 5.66 1.61 2.12 -0.25 -4.94 118.70 123.71 1n62 s GLU 66 Ca 0.39 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1n62 s GLU 66 Cb -0.19 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1n62 s GLU 66 CO 0.21 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1n62 n GLY 67 N 5.35 2.98 1.27 -1.50 0.00 -1.26 -1.01 105.19 111.02 1n62 n GLY 67 Ca -0.09 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1n62 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n62 n THR 68 N 0.00 1.48 -4.15 2.61 -2.24 -1.26 -4.92 114.28 105.80 1n62 n THR 68 Ca 0.00 -0.85 -0.24 0.00 -2.27 0.00 0.00 64.05 60.69 1n62 n THR 68 Cb 0.00 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 1n62 n THR 68 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n62 s ASP 69 N -0.68 4.47 -0.11 3.42 1.01 -0.18 -1.41 116.67 123.19 1n62 s ASP 69 Ca 0.36 -0.95 -0.00 0.00 0.71 0.00 0.00 52.55 52.66 1n62 s ASP 69 Cb 0.25 -0.57 -0.02 0.00 1.01 0.00 0.00 42.92 43.58 1n62 s ASP 69 CO 0.15 -0.40 -0.09 -0.69 0.21 0.00 0.00 175.17 174.35 1n62 s VAL 70 N -2.52 3.50 -0.19 -1.27 1.01 0.26 -1.09 120.40 120.10 1n62 s VAL 70 Ca 0.39 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1n62 s VAL 70 Cb 0.01 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1n62 s VAL 70 CO 0.22 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 175.09 1n62 s VAL 71 N -0.14 3.10 -0.19 2.92 1.01 0.11 -0.25 120.40 126.96 1n62 s VAL 71 Ca 0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1n62 s VAL 71 Cb -0.13 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1n62 s VAL 71 CO 0.03 0.47 -0.11 -0.63 0.00 0.00 0.00 175.10 174.86 1n62 s ILE 72 N 1.16 2.86 0.51 2.22 1.01 0.58 -0.61 121.20 128.92 1n62 s ILE 72 Ca 0.02 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 1n62 s ILE 72 Cb -0.14 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.01 1n62 s ILE 72 CO -0.03 0.48 1.35 -0.83 0.00 0.00 0.00 174.94 175.92 1n62 s GLY 73 N 1.25 2.89 0.52 6.18 0.00 0.80 -0.32 107.32 118.64 1n62 s GLY 73 Ca 0.03 1.32 0.17 0.00 0.00 0.00 0.00 44.72 46.24 1n62 s GLY 73 CO -0.05 1.86 2.14 0.00 0.00 0.00 0.00 173.10 177.05 1n62 h ALA 74 N 1.77 2.04 -0.42 3.20 0.00 -0.51 -0.69 119.26 124.64 1n62 h ALA 74 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1n62 h ALA 74 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n62 h ALA 74 CO 0.59 -0.05 0.00 -1.33 0.00 0.00 0.00 179.25 178.46 1n62 n MET 75 N -4.53 2.01 -2.13 0.00 2.81 0.79 -0.06 117.12 116.01 1n62 n MET 75 Ca -0.02 -1.57 -0.42 0.00 -1.81 0.00 0.00 57.70 53.88 1n62 n MET 75 Cb 0.13 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1n62 n MET 75 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1n62 s THR 76 N -1.44 3.17 0.55 2.03 2.01 -0.27 -4.75 115.64 116.94 1n62 s THR 76 Ca 0.30 0.85 -0.08 0.00 0.31 0.00 0.00 61.69 63.07 1n62 s THR 76 Cb 0.16 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1n62 s THR 76 CO 0.21 0.07 0.90 0.42 -0.69 0.00 0.00 174.62 175.53 1n62 s THR 77 N 1.06 4.65 0.27 -0.82 -4.23 -1.26 -0.46 115.64 114.86 1n62 s THR 77 Ca 0.65 0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 61.59 1n62 s THR 77 Cb -0.38 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 69.92 1n62 s THR 77 CO 0.31 -0.92 1.89 1.56 -0.54 0.00 0.00 174.62 176.91 1n62 h GLN 78 N -0.06 1.15 -0.51 3.99 1.08 -0.97 -0.80 115.11 119.00 1n62 h GLN 78 Ca -0.46 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 56.70 1n62 h GLN 78 Cb 1.21 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 28.34 1n62 h GLN 78 CO 0.62 0.76 0.30 1.25 -0.95 0.00 0.00 178.83 180.81 1n62 h HIS 79 N 1.19 0.56 -0.18 2.96 2.76 -1.24 -0.56 115.15 120.64 1n62 h HIS 79 Ca 0.43 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.53 1n62 h HIS 79 Cb 0.16 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1n62 h HIS 79 CO -0.00 0.32 -0.26 0.00 -1.30 0.00 0.00 177.93 176.69 1n62 h ALA 80 N 1.23 1.22 -0.28 5.26 0.00 -1.55 -0.55 119.26 124.58 1n62 h ALA 80 Ca 0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n62 h ALA 80 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1n62 h ALA 80 CO -0.09 0.51 0.17 -0.07 0.00 0.00 0.00 179.25 179.77 1n62 h LEU 81 N 0.30 0.33 -0.88 0.00 3.38 -0.23 -2.22 115.31 116.00 1n62 h LEU 81 Ca 0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1n62 h LEU 81 Cb 0.62 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1n62 h LEU 81 CO 0.04 0.27 0.25 0.40 0.09 0.00 0.00 178.44 179.50 1n62 h ILE 82 N 0.36 1.25 0.00 1.22 2.04 -0.76 -2.91 117.51 118.71 1n62 h ILE 82 Ca 0.10 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1n62 h ILE 82 Cb 0.00 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1n62 h ILE 82 CO -0.02 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.07 1n62 n GLY 83 N -0.86 -1.25 3.60 5.37 0.00 -0.25 -4.78 105.19 107.02 1n62 n GLY 83 Ca 0.06 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1n62 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n62 s SER 84 N -2.84 6.66 0.27 1.61 0.15 -0.88 -4.86 113.70 113.80 1n62 s SER 84 Ca 0.16 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.28 1n62 s SER 84 Cb 0.16 -2.55 0.35 0.00 -1.71 0.00 0.00 66.02 62.27 1n62 s SER 84 CO 0.42 -1.21 1.94 0.44 1.20 0.00 0.00 173.24 176.03 1n62 h ASP 85 N 9.10 1.07 -0.14 5.45 3.32 -1.90 -0.70 116.42 132.62 1n62 h ASP 85 Ca -0.23 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1n62 h ASP 85 Cb 1.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1n62 h ASP 85 CO 1.11 0.76 0.09 0.15 -1.72 0.00 0.00 179.24 179.64 1n62 h PHE 86 N 1.26 0.19 -0.24 4.55 3.57 -1.97 -1.24 116.94 123.05 1n62 h PHE 86 Ca 0.35 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 1n62 h PHE 86 Cb -0.11 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1n62 h PHE 86 CO -0.00 0.15 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.03 1n62 h LEU 87 N 0.17 0.38 -1.59 0.59 3.38 -1.81 -1.44 115.31 114.99 1n62 h LEU 87 Ca 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1n62 h LEU 87 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1n62 h LEU 87 CO -0.01 0.54 -0.21 0.00 0.09 0.00 0.00 178.44 178.86 1n62 h ALA 88 N 1.50 1.66 0.17 1.53 0.00 -0.58 0.52 119.26 124.06 1n62 h ALA 88 Ca 0.07 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1n62 h ALA 88 Cb 0.46 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1n62 h ALA 88 CO 0.03 0.26 -1.12 0.00 0.00 0.00 0.00 179.25 178.42 1n62 h ALA 89 N 1.79 -0.07 0.00 0.00 0.00 -0.58 -3.32 119.26 117.09 1n62 h ALA 89 Ca -0.00 -0.81 -0.37 0.00 0.00 0.00 0.00 54.91 53.73 1n62 h ALA 89 Cb 0.36 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1n62 h ALA 89 CO 0.03 0.55 -2.36 1.63 0.00 0.00 0.00 179.25 179.10 1n62 n LYS 90 N -3.97 0.68 -3.17 0.00 5.02 -0.60 -4.64 118.16 111.48 1n62 n LYS 90 Ca -0.17 0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 55.99 1n62 n LYS 90 Cb 0.92 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 1n62 n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n62 n LEU 91 N -2.95 0.33 0.31 -0.35 4.77 0.18 -4.40 117.00 114.89 1n62 n LEU 91 Ca -0.36 -4.78 0.21 0.00 -0.03 0.00 0.00 56.01 51.05 1n62 n LEU 91 Cb 1.10 0.69 1.02 0.00 -2.33 0.00 0.00 43.42 43.90 1n62 n LEU 91 CO 0.38 2.17 1.11 1.55 -1.33 0.00 0.00 177.39 181.27 1n62 h PRO 92 N 3.50 0.00 0.00 3.23 0.13 -1.55 -0.86 132.00 136.45 1n62 h PRO 92 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1n62 h PRO 92 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1n62 h PRO 92 CO 0.47 0.00 -0.11 0.97 -0.23 0.00 0.00 178.00 179.10 1n62 h ILE 93 N 0.00 0.76 -0.13 -3.56 2.10 -1.91 -2.72 117.51 112.05 1n62 h ILE 93 Ca 0.00 -0.42 -0.03 0.00 1.08 0.00 0.00 64.86 65.49 1n62 h ILE 93 Cb 0.17 1.25 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1n62 h ILE 93 CO 0.00 0.11 -0.03 0.40 -1.08 0.00 0.00 178.15 177.55 1n62 h ILE 94 N 0.00 1.29 -0.47 2.19 2.04 -1.48 -0.12 117.51 120.96 1n62 h ILE 94 Ca -0.00 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1n62 h ILE 94 Cb 0.24 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1n62 h ILE 94 CO 0.01 0.28 0.24 -0.09 0.00 0.00 0.00 178.15 178.59 1n62 h ARG 95 N -0.07 0.45 -0.81 2.37 2.43 -1.69 0.25 114.38 117.31 1n62 h ARG 95 Ca 0.03 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1n62 h ARG 95 Cb 0.45 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1n62 h ARG 95 CO 0.01 0.30 0.53 1.49 -1.51 0.00 0.00 179.97 180.79 1n62 h GLU 96 N 0.47 1.01 -0.17 0.20 4.81 -1.26 -0.99 114.58 118.65 1n62 h GLU 96 Ca 0.21 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1n62 h GLU 96 Cb 0.12 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1n62 h GLU 96 CO -0.15 0.67 -0.24 1.15 -0.73 0.00 0.00 179.01 179.71 1n62 h THR 97 N 1.04 1.35 -0.98 0.32 2.02 -0.42 -3.19 112.91 113.05 1n62 h THR 97 Ca 0.32 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 66.07 1n62 h THR 97 Cb -0.03 1.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 1n62 h THR 97 CO -0.10 0.44 0.64 0.28 0.37 0.00 0.00 175.52 177.15 1n62 h SER 98 N 0.11 1.09 0.31 4.18 0.02 -0.28 0.12 113.55 119.10 1n62 h SER 98 Ca 0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n62 h SER 98 Cb 0.81 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1n62 h SER 98 CO 0.06 0.76 0.00 0.18 -1.14 0.00 0.00 176.83 176.69 1n62 n LEU 99 N -4.44 0.00 -1.04 5.07 4.77 -0.40 -0.53 117.00 120.44 1n62 n LEU 99 Ca 0.12 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1n62 n LEU 99 Cb 0.06 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1n62 n LEU 99 CO 0.35 -0.30 0.66 0.18 -1.33 0.00 0.00 177.39 176.95 1n62 n LEU 100 N -1.46 3.21 -4.66 2.23 4.77 0.39 -4.90 117.00 116.57 1n62 n LEU 100 Ca 0.03 -1.30 -0.37 0.00 -0.03 0.00 0.00 56.01 54.34 1n62 n LEU 100 Cb 0.11 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1n62 n LEU 100 CO 0.09 0.63 -0.14 -0.63 -1.33 0.00 0.00 177.39 176.02 1n62 s ILE 101 N -1.64 5.34 0.00 -0.08 1.01 0.31 -4.79 121.20 121.36 1n62 s ILE 101 Ca 0.33 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1n62 s ILE 101 Cb 0.21 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1n62 s ILE 101 CO 0.30 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.57 1n62 n ALA 102 N 4.29 0.00 -3.16 9.38 0.00 -1.26 -4.78 120.51 124.98 1n62 n ALA 102 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1n62 n ALA 102 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1n62 n ALA 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1n62 s ASP 103 N -4.00 0.24 0.17 0.00 1.47 -1.26 -3.08 116.67 110.21 1n62 s ASP 103 Ca 0.00 -1.13 -0.15 0.00 1.18 0.00 0.00 52.55 52.45 1n62 s ASP 103 Cb 0.00 0.64 0.09 0.00 -0.34 0.00 0.00 42.92 43.32 1n62 s ASP 103 CO 0.00 -1.25 1.78 -0.65 0.68 0.00 0.00 175.17 175.72 1n62 h PRO 104 N 2.18 0.40 -0.51 2.11 0.11 -1.98 0.75 132.00 135.07 1n62 h PRO 104 Ca -0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1n62 h PRO 104 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1n62 h PRO 104 CO 0.37 0.27 0.30 1.96 -0.21 0.00 0.00 178.00 180.69 1n62 h GLN 105 N 0.42 0.70 -0.42 1.05 7.50 -1.99 -0.45 115.11 121.92 1n62 h GLN 105 Ca 0.19 -0.07 -0.11 0.00 0.50 0.00 0.00 58.65 59.16 1n62 h GLN 105 Cb 0.11 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.49 1n62 h GLN 105 CO -0.15 0.53 -0.19 0.82 -1.50 0.00 0.00 178.83 178.34 1n62 h ILE 106 N 0.69 1.27 0.00 2.54 5.03 -1.86 -2.59 117.51 122.59 1n62 h ILE 106 Ca 0.18 -1.31 -0.02 0.00 -0.12 0.00 0.00 64.86 63.59 1n62 h ILE 106 Cb 0.01 1.15 -0.00 0.00 -3.03 0.00 0.00 36.82 34.95 1n62 h ILE 106 CO -0.03 0.44 -0.12 0.03 -0.68 0.00 0.00 178.15 177.79 1n62 h ARG 107 N 0.72 0.00 0.00 2.37 3.08 -0.26 0.68 114.38 120.97 1n62 h ARG 107 Ca 0.10 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1n62 h ARG 107 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1n62 h ARG 107 CO 0.05 0.12 -0.32 1.88 -1.07 0.00 0.00 179.97 180.63 1n62 h TYR 108 N 0.00 0.00 0.00 3.04 0.05 -0.69 0.12 116.97 119.49 1n62 h TYR 108 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 1n62 h TYR 108 Cb 0.51 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 1n62 h TYR 108 CO 0.00 0.32 -1.96 -1.33 -1.05 0.00 0.00 178.16 174.15 1n62 n MET 109 N -4.09 0.39 -2.01 4.88 2.81 -0.62 -4.84 117.12 113.65 1n62 n MET 109 Ca -0.02 0.13 -0.41 0.00 -1.81 0.00 0.00 57.70 55.59 1n62 n MET 109 Cb 0.37 -1.23 -0.01 0.00 -0.71 0.00 0.00 33.22 31.64 1n62 n MET 109 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1n62 s GLY 110 N -5.46 2.97 0.22 3.03 0.00 0.23 -3.83 107.32 104.47 1n62 s GLY 110 Ca -0.23 1.36 0.08 0.00 0.00 0.00 0.00 44.72 45.92 1n62 s GLY 110 CO 0.35 2.01 0.04 -0.51 0.00 0.00 0.00 173.10 174.98 1n62 s THR 111 N -1.15 3.81 0.25 0.90 -4.23 -1.26 -1.10 115.64 112.85 1n62 s THR 111 Ca 0.51 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1n62 s THR 111 Cb -0.42 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 70.61 1n62 s THR 111 CO 0.55 -0.25 1.82 -0.29 -0.54 0.00 0.00 174.62 175.92 1n62 h ILE 112 N 2.04 1.24 -0.50 2.99 2.10 -0.83 -0.49 117.51 124.06 1n62 h ILE 112 Ca -0.46 -0.76 -0.10 0.00 1.08 0.00 0.00 64.86 64.62 1n62 h ILE 112 Cb 1.23 0.41 -0.02 0.00 -1.09 0.00 0.00 36.82 37.35 1n62 h ILE 112 CO 0.60 0.31 -0.07 1.23 -1.08 0.00 0.00 178.15 179.13 1n62 h GLY 113 N 1.08 1.01 1.49 8.18 0.00 -0.72 -0.45 103.07 113.68 1n62 h GLY 113 Ca 0.23 -0.80 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 1n62 h GLY 113 CO -0.02 0.74 -0.29 -1.33 0.00 0.00 0.00 176.54 175.64 1n62 h GLY 114 N 0.80 0.63 1.03 4.60 0.00 -1.65 0.25 103.07 108.73 1n62 h GLY 114 Ca 0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1n62 h GLY 114 CO 0.04 0.50 0.29 -0.57 0.00 0.00 0.00 176.54 176.80 1n62 h ASN 115 N 0.50 1.00 0.61 0.19 -0.73 -0.86 -0.98 115.58 115.31 1n62 h ASN 115 Ca 0.06 -0.17 -0.20 0.00 1.87 0.00 0.00 56.30 57.86 1n62 h ASN 115 Cb 0.75 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1n62 h ASN 115 CO 0.06 0.90 -0.89 0.00 -0.37 0.00 0.00 177.43 177.13 1n62 h ALA 116 N 1.14 0.50 0.00 1.57 0.00 -0.75 -3.32 119.26 118.40 1n62 h ALA 116 Ca 0.24 -0.74 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 1n62 h ALA 116 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1n62 h ALA 116 CO -0.02 0.93 -1.27 0.00 0.00 0.00 0.00 179.25 178.90 1n62 h ALA 117 N 0.96 0.61 -0.83 0.00 0.00 -0.35 -3.39 119.26 116.27 1n62 h ALA 117 Ca -0.04 -1.03 0.14 0.00 0.00 0.00 0.00 54.91 53.97 1n62 h ALA 117 Cb 1.53 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 1n62 h ALA 117 CO 0.14 1.22 0.42 -0.97 0.00 0.00 0.00 179.25 180.05 1n62 h ASN 118 N 0.00 0.51 0.00 0.00 -0.00 -1.28 -3.46 115.58 111.35 1n62 h ASN 118 Ca -0.14 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 1n62 h ASN 118 Cb 1.77 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 40.09 1n62 h ASN 118 CO 0.09 0.22 0.00 0.61 -0.00 0.00 0.00 177.43 178.35 1n62 n GLY 119 N -1.32 0.73 3.68 1.57 0.00 -1.26 -4.70 105.19 103.89 1n62 n GLY 119 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1n62 n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n62 s ASP 120 N -2.92 7.05 0.00 1.61 -1.08 -1.26 -0.24 116.67 119.83 1n62 s ASP 120 Ca 0.00 1.77 0.08 0.00 -0.52 0.00 0.00 52.55 53.88 1n62 s ASP 120 Cb 0.00 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.26 1n62 s ASP 120 CO 0.00 -0.61 1.25 -0.81 0.52 0.00 0.00 175.17 175.52 1n62 n PRO 121 N 5.43 0.01 0.19 4.34 -0.04 -1.26 -1.19 135.00 142.48 1n62 n PRO 121 Ca 0.11 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.97 1n62 n PRO 121 Cb 0.46 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.80 1n62 n PRO 121 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1n62 h GLY 122 N 1.39 0.00 -2.62 0.55 0.00 -1.91 -2.85 103.07 97.63 1n62 h GLY 122 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1n62 h GLY 122 CO 0.00 0.00 0.50 -1.31 0.00 0.00 0.00 176.54 175.73 1n62 s ASN 123 N -6.59 5.86 0.02 0.19 0.02 -0.34 -4.36 114.94 109.75 1n62 s ASN 123 Ca -0.01 2.40 0.04 0.00 -1.02 0.00 0.00 52.86 54.27 1n62 s ASN 123 Cb 0.12 -2.61 -0.24 0.00 0.02 0.00 0.00 41.25 38.54 1n62 s ASN 123 CO 0.69 -1.14 0.89 0.44 0.02 0.00 0.00 177.10 178.01 1n62 h ASP 124 N 1.75 0.17 -0.79 -1.22 3.32 -1.89 -3.38 116.42 114.38 1n62 h ASP 124 Ca -0.50 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.26 1n62 h ASP 124 Cb 1.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1n62 h ASP 124 CO 0.59 1.21 0.32 0.24 -1.72 0.00 0.00 179.24 179.88 1n62 h MET 125 N 0.03 1.18 -0.37 3.56 2.86 -1.92 -3.09 114.93 117.17 1n62 h MET 125 Ca -0.20 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1n62 h MET 125 Cb 1.95 -0.19 -0.09 0.00 0.06 0.00 0.00 31.60 33.33 1n62 h MET 125 CO 0.13 0.95 -0.33 -1.35 1.06 0.00 0.00 176.91 177.37 1n62 h PRO 126 N 1.14 -0.26 0.00 -0.22 0.11 -1.81 0.13 132.00 131.09 1n62 h PRO 126 Ca 0.26 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 1n62 h PRO 126 Cb 0.21 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1n62 h PRO 126 CO -0.02 -0.17 -0.51 0.00 -0.21 0.00 0.00 178.00 177.09 1n62 h ALA 127 N 0.72 1.04 -0.46 -0.75 0.00 -1.80 -0.39 119.26 117.61 1n62 h ALA 127 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1n62 h ALA 127 Cb 0.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1n62 h ALA 127 CO -0.52 0.64 0.30 1.25 0.00 0.00 0.00 179.25 180.92 1n62 h LEU 128 N 0.00 0.53 -1.11 0.00 5.85 -1.27 0.15 115.31 119.45 1n62 h LEU 128 Ca -0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1n62 h LEU 128 Cb 0.97 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1n62 h LEU 128 CO 0.07 0.39 0.14 0.24 -0.34 0.00 0.00 178.44 178.94 1n62 h MET 129 N 0.62 0.77 -0.42 1.25 2.86 -0.21 0.66 114.93 120.45 1n62 h MET 129 Ca 0.17 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1n62 h MET 129 Cb -0.06 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1n62 h MET 129 CO -0.04 0.68 -0.11 1.96 1.06 0.00 0.00 176.91 180.47 1n62 h GLN 130 N 0.75 0.82 -0.63 1.72 4.20 -0.76 0.50 115.11 121.71 1n62 h GLN 130 Ca 0.17 -0.32 0.05 0.00 0.06 0.00 0.00 58.65 58.61 1n62 h GLN 130 Cb 0.25 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1n62 h GLN 130 CO -0.01 0.94 0.36 0.00 -0.67 0.00 0.00 178.83 179.45 1n62 n LEU 132 N -4.78 0.31 -1.74 0.00 4.77 0.17 -4.70 117.00 111.03 1n62 n LEU 132 Ca 0.07 0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1n62 n LEU 132 Cb 0.14 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1n62 n LEU 132 CO 0.30 -0.11 0.02 0.61 -1.33 0.00 0.00 177.39 176.88 1n62 n GLY 133 N 1.23 0.09 3.76 -0.72 0.00 -0.18 -4.52 105.19 104.85 1n62 n GLY 133 Ca 0.06 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1n62 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 134 N -2.92 2.14 -0.01 4.61 0.00 -0.01 -4.61 121.76 120.96 1n62 s ALA 134 Ca 0.18 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1n62 s ALA 134 Cb -0.08 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1n62 s ALA 134 CO 0.23 -1.88 -0.25 0.00 0.00 0.00 0.00 175.76 173.85 1n62 s ALA 135 N -2.89 2.22 -0.19 0.00 0.00 0.68 -0.49 121.76 121.08 1n62 s ALA 135 Ca 0.62 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1n62 s ALA 135 Cb -0.18 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1n62 s ALA 135 CO 0.56 0.53 0.19 0.71 0.00 0.00 0.00 175.76 177.75 1n62 s TYR 136 N -0.66 3.41 -0.27 0.00 2.02 0.11 -0.19 117.35 121.78 1n62 s TYR 136 Ca 0.10 0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 57.03 1n62 s TYR 136 Cb -0.10 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1n62 s TYR 136 CO -0.00 0.24 0.49 -1.21 -1.57 0.00 0.00 175.55 173.49 1n62 s GLU 137 N 0.52 4.04 -0.02 -0.62 2.02 0.52 -1.04 118.70 124.12 1n62 s GLU 137 Ca 0.11 0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.38 1n62 s GLU 137 Cb -0.12 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 1n62 s GLU 137 CO 0.01 -0.35 -0.10 -0.51 0.02 0.00 0.00 175.26 174.33 1n62 s LEU 138 N 2.27 3.00 -0.08 1.80 2.01 0.36 0.13 118.68 128.17 1n62 s LEU 138 Ca 0.20 -0.17 0.04 0.00 0.01 0.00 0.00 54.13 54.21 1n62 s LEU 138 Cb -0.16 -1.69 0.00 0.00 0.01 0.00 0.00 46.19 44.35 1n62 s LEU 138 CO 0.09 0.31 -0.20 -0.89 1.01 0.00 0.00 176.35 176.68 1n62 s THR 139 N -0.90 1.69 0.08 5.49 2.01 -0.04 -0.06 115.64 123.93 1n62 s THR 139 Ca 0.15 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1n62 s THR 139 Cb -0.11 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 1n62 s THR 139 CO 0.05 0.48 0.06 0.61 -0.69 0.00 0.00 174.62 175.12 1n62 n GLY 140 N 3.47 3.79 0.08 4.40 0.00 0.24 -0.71 105.19 116.47 1n62 n GLY 140 Ca -0.20 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1n62 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n62 n PRO 141 N -0.16 0.10 -0.13 1.61 -0.04 -1.26 -0.68 135.00 134.44 1n62 n PRO 141 Ca 0.01 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1n62 n PRO 141 Cb 0.14 -1.73 0.17 0.00 -0.04 0.00 0.00 33.50 32.04 1n62 n PRO 141 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n62 n GLU 142 N -1.93 2.29 0.00 0.54 1.02 -1.26 -5.05 120.64 116.25 1n62 n GLU 142 Ca 0.02 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.07 1n62 n GLU 142 Cb 0.15 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1n62 n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n62 n GLY 143 N 1.32 -0.82 3.86 0.62 0.00 0.15 -5.04 105.19 105.28 1n62 n GLY 143 Ca 0.16 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1n62 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 144 N -2.00 3.60 0.27 4.61 0.00 -1.26 -0.59 121.76 126.39 1n62 s ALA 144 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 1n62 s ALA 144 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1n62 s ALA 144 CO 0.00 0.50 0.52 -0.98 0.00 0.00 0.00 175.76 175.81 1n62 s ARG 145 N -2.45 1.68 -0.08 0.00 1.70 0.92 -4.99 118.95 115.73 1n62 s ARG 145 Ca 0.43 -1.32 0.03 0.00 -0.47 0.00 0.00 55.73 54.40 1n62 s ARG 145 Cb -0.13 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1n62 s ARG 145 CO 0.20 -0.71 -0.16 0.42 -1.08 0.00 0.00 175.30 173.97 1n62 s ILE 146 N -3.74 1.44 -0.11 4.99 1.01 -1.26 -0.49 121.20 123.04 1n62 s ILE 146 Ca 0.22 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1n62 s ILE 146 Cb -0.01 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1n62 s ILE 146 CO 0.11 0.42 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 1n62 s VAL 147 N 0.59 1.69 0.44 2.92 1.01 -0.21 -4.95 120.40 121.88 1n62 s VAL 147 Ca -0.15 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1n62 s VAL 147 Cb -0.16 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 1n62 s VAL 147 CO 0.05 0.48 1.23 0.00 0.00 0.00 0.00 175.10 176.85 1n62 n ALA 148 N 4.01 1.11 -0.27 5.51 0.00 -1.26 0.08 120.51 129.69 1n62 n ALA 148 Ca -0.20 0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1n62 n ALA 148 Cb 0.52 -2.24 0.37 0.00 0.00 0.00 0.00 19.45 18.09 1n62 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n62 h ALA 149 N 1.87 1.81 0.00 0.00 0.00 -1.10 0.16 119.26 121.99 1n62 h ALA 149 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n62 h ALA 149 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n62 h ALA 149 CO 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1n62 h ARG 150 N 0.71 0.00 -0.01 0.00 3.08 -1.87 -2.39 114.38 113.91 1n62 h ARG 150 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1n62 h ARG 150 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1n62 h ARG 150 CO -0.20 0.00 -0.11 -0.25 -1.07 0.00 0.00 179.97 178.33 1n62 n ASP 151 N -2.90 1.58 0.20 7.04 8.00 0.48 -4.72 116.55 126.23 1n62 n ASP 151 Ca -0.02 -1.29 0.10 0.00 0.71 0.00 0.00 54.79 54.29 1n62 n ASP 151 Cb 0.10 0.24 0.13 0.00 -0.02 0.00 0.00 41.12 41.58 1n62 n ASP 151 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1n62 h TYR 152 N 1.67 0.00 -3.29 1.24 3.20 -0.77 -3.44 116.97 115.58 1n62 h TYR 152 Ca 0.00 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.21 1n62 h TYR 152 Cb 0.41 0.00 -0.30 0.00 1.54 0.00 0.00 36.73 38.38 1n62 h TYR 152 CO 0.00 0.10 -0.77 0.71 -1.64 0.00 0.00 178.16 176.56 1n62 s TYR 153 N -3.17 2.89 -0.10 -3.82 1.51 -1.26 -0.61 117.35 112.79 1n62 s TYR 153 Ca 0.06 -1.12 0.10 0.00 -1.01 0.00 0.00 57.07 55.10 1n62 s TYR 153 Cb 0.06 -2.03 -0.14 0.00 -0.11 0.00 0.00 41.96 39.74 1n62 s TYR 153 CO 0.69 -0.60 0.05 1.04 -1.11 0.00 0.00 175.55 175.63 1n62 n GLN 154 N 4.63 2.09 -3.61 -0.62 3.00 0.13 -4.97 117.38 118.03 1n62 n GLN 154 Ca -0.19 -0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.77 1n62 n GLN 154 Cb 0.51 -1.28 0.02 0.00 0.00 0.00 0.00 30.24 29.49 1n62 n GLN 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n62 n GLY 155 N 2.29 0.63 3.63 1.08 0.00 -0.85 -4.91 105.19 107.07 1n62 n GLY 155 Ca -0.17 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1n62 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 156 N -1.92 3.25 -1.34 4.61 0.00 -0.85 -1.73 121.76 123.78 1n62 s ALA 156 Ca 0.21 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1n62 s ALA 156 Cb -0.02 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1n62 s ALA 156 CO 0.04 -2.01 0.00 0.66 0.00 0.00 0.00 175.76 174.46 1n62 n TYR 157 N 8.83 -0.64 -3.75 0.00 4.01 0.67 -4.95 117.16 121.34 1n62 n TYR 157 Ca 0.21 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.65 1n62 n TYR 157 Cb 0.44 -3.11 -0.15 0.00 -0.31 0.00 0.00 39.34 36.21 1n62 n TYR 157 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1n62 s PHE 158 N -2.74 1.79 0.33 -0.72 5.36 -0.71 -4.99 117.98 116.31 1n62 s PHE 158 Ca 0.00 -1.77 0.00 0.00 -0.96 0.00 0.00 56.93 54.20 1n62 s PHE 158 Cb 0.00 -1.75 -0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1n62 s PHE 158 CO 0.00 -0.87 0.01 0.25 -1.46 0.00 0.00 175.22 173.15 1n62 n THR 159 N 4.82 0.00 1.66 0.12 -2.24 -1.26 -0.69 114.28 116.69 1n62 n THR 159 Ca -0.02 -1.58 0.15 0.00 -2.27 0.00 0.00 64.05 60.33 1n62 n THR 159 Cb 0.42 0.34 0.69 0.00 -2.10 0.00 0.00 70.33 69.69 1n62 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n62 n ALA 160 N -1.91 2.67 -1.77 6.98 0.00 0.22 -4.87 120.51 121.83 1n62 n ALA 160 Ca -0.14 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 1n62 n ALA 160 Cb 0.42 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1n62 n ALA 160 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1n62 s ILE 161 N -2.11 3.07 0.28 0.00 2.07 -1.26 -5.02 121.20 118.22 1n62 s ILE 161 Ca 0.39 0.80 0.10 0.00 -1.41 0.00 0.00 60.65 60.53 1n62 s ILE 161 Cb 0.21 -3.40 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 1n62 s ILE 161 CO 0.38 -0.01 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.78 1n62 s GLU 162 N -2.71 2.23 0.07 3.50 2.02 -1.26 -5.05 118.70 117.50 1n62 s GLU 162 Ca 0.64 -1.49 -0.37 0.00 0.02 0.00 0.00 54.97 53.78 1n62 s GLU 162 Cb -0.29 -2.11 -0.16 0.00 0.10 0.00 0.00 34.13 31.67 1n62 s GLU 162 CO 0.35 0.32 1.39 -2.30 0.02 0.00 0.00 175.26 175.04 1n62 n PRO 163 N -0.90 1.24 0.00 0.39 -0.02 -1.26 -1.71 135.00 132.74 1n62 n PRO 163 Ca -0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1n62 n PRO 163 Cb 0.60 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1n62 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n62 n GLY 164 N 2.70 1.40 3.84 -1.23 0.00 -1.26 -4.72 105.19 105.92 1n62 n GLY 164 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1n62 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n62 s GLU 165 N -0.56 4.01 -0.03 1.61 2.02 -0.69 -4.20 118.70 120.85 1n62 s GLU 165 Ca 0.00 0.84 0.06 0.00 0.02 0.00 0.00 54.97 55.89 1n62 s GLU 165 Cb 0.00 -2.27 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 1n62 s GLU 165 CO 0.00 -0.05 -0.21 -1.17 0.02 0.00 0.00 175.26 173.85 1n62 s LEU 166 N -3.50 2.02 -0.19 1.80 2.96 0.11 -4.89 118.68 116.99 1n62 s LEU 166 Ca 0.57 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.80 1n62 s LEU 166 Cb -0.10 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 1n62 s LEU 166 CO 0.23 0.23 1.13 -0.22 -1.32 0.00 0.00 176.35 176.40 1n62 s LEU 167 N -0.33 4.15 -0.15 -0.68 0.20 -1.26 -0.86 118.68 119.75 1n62 s LEU 167 Ca 0.04 1.53 0.16 0.00 0.69 0.00 0.00 54.13 56.55 1n62 s LEU 167 Cb -0.09 -3.54 -0.22 0.00 -0.43 0.00 0.00 46.19 41.90 1n62 s LEU 167 CO 0.00 -0.69 0.11 0.35 -0.29 0.00 0.00 176.35 175.83 1n62 n THR 168 N 5.25 1.00 -3.47 3.68 -2.24 0.12 -4.64 114.28 113.99 1n62 n THR 168 Ca 0.12 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 1n62 n THR 168 Cb 0.46 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1n62 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n62 s ALA 169 N -2.53 -1.71 -0.15 6.98 0.00 -1.17 -1.04 121.76 122.15 1n62 s ALA 169 Ca -0.08 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1n62 s ALA 169 Cb 0.06 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1n62 s ALA 169 CO 0.71 -0.73 -0.16 0.42 0.00 0.00 0.00 175.76 175.99 1n62 s ILE 170 N -3.44 2.57 -0.25 0.00 1.01 0.57 -0.36 121.20 121.30 1n62 s ILE 170 Ca 0.03 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1n62 s ILE 170 Cb -0.01 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1n62 s ILE 170 CO -0.11 0.52 0.07 -0.60 0.00 0.00 0.00 174.94 174.82 1n62 s ARG 171 N 0.77 3.66 -0.16 2.79 3.52 0.73 -0.31 118.95 129.96 1n62 s ARG 171 Ca -0.06 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1n62 s ARG 171 Cb -0.15 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1n62 s ARG 171 CO 0.00 -0.17 -0.17 0.42 -0.81 0.00 0.00 175.30 174.57 1n62 s ILE 172 N 1.56 1.80 0.32 4.11 1.01 0.66 -0.23 121.20 130.42 1n62 s ILE 172 Ca 0.06 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1n62 s ILE 172 Cb -0.15 -1.65 -0.11 0.00 0.01 0.00 0.00 42.46 40.57 1n62 s ILE 172 CO 0.03 0.50 1.49 -2.84 0.00 0.00 0.00 174.94 174.13 1n62 s PRO 173 N 1.29 4.17 -0.19 2.79 0.02 -1.26 -0.57 135.00 141.25 1n62 s PRO 173 Ca 0.02 2.48 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 1n62 s PRO 173 Cb -0.13 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 1n62 s PRO 173 CO -0.10 -0.50 1.08 0.08 -0.33 0.00 0.00 177.00 177.23 1n62 s VAL 174 N -0.51 4.61 0.88 3.83 1.01 -0.50 -4.83 120.40 124.89 1n62 s VAL 174 Ca 0.57 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 64.37 1n62 s VAL 174 Cb -0.45 -4.24 0.12 0.00 0.00 0.00 0.00 36.38 31.80 1n62 s VAL 174 CO 0.53 -0.13 1.09 -2.84 0.00 0.00 0.00 175.10 173.75 1n62 s PRO 175 N 2.97 1.36 0.47 2.72 0.02 -1.26 -4.95 135.00 136.33 1n62 s PRO 175 Ca 0.47 0.78 -0.24 0.00 0.02 0.00 0.00 61.00 62.03 1n62 s PRO 175 Cb -0.17 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1n62 s PRO 175 CO 0.10 -2.16 1.27 -2.30 -0.33 0.00 0.00 177.00 173.59 1n62 n PRO 176 N -3.82 1.81 -1.63 5.54 -0.02 -1.26 -4.91 135.00 130.71 1n62 n PRO 176 Ca 0.07 0.65 -0.46 0.00 -2.02 0.00 0.00 63.50 61.74 1n62 n PRO 176 Cb 0.55 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1n62 n PRO 176 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1n62 n THR 177 N -0.52 0.88 -0.84 3.45 -1.04 -1.26 -1.65 114.28 113.30 1n62 n THR 177 Ca 0.08 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1n62 n THR 177 Cb 0.41 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1n62 n THR 177 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n62 n GLY 178 N 2.15 0.71 3.74 3.41 0.00 -1.26 -5.01 105.19 108.93 1n62 n GLY 178 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1n62 n GLY 178 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n62 s HIS 179 N -2.66 2.23 0.38 1.61 -0.00 -0.66 -4.33 115.29 111.86 1n62 s HIS 179 Ca 0.00 1.58 -0.04 0.00 -0.00 0.00 0.00 55.06 56.60 1n62 s HIS 179 Cb 0.00 -3.39 -0.04 0.00 -0.00 0.00 0.00 32.58 29.15 1n62 s HIS 179 CO 0.00 -2.32 0.66 0.20 -0.00 0.00 0.00 174.74 173.28 1n62 s GLY 180 N -2.15 1.62 0.00 -1.38 0.00 0.69 -4.41 107.32 101.69 1n62 s GLY 180 Ca 0.72 -0.58 -0.28 0.00 0.00 0.00 0.00 44.72 44.59 1n62 s GLY 180 CO 0.43 -0.45 0.73 -2.52 0.00 0.00 0.00 173.10 171.29 1n62 s TYR 181 N -2.40 -0.54 -0.20 1.90 1.13 -1.25 -1.21 117.35 114.77 1n62 s TYR 181 Ca 0.45 0.70 -0.28 0.00 -1.41 0.00 0.00 57.07 56.52 1n62 s TYR 181 Cb -0.10 0.48 0.13 0.00 -1.10 0.00 0.00 41.96 41.36 1n62 s TYR 181 CO 0.37 -0.64 1.03 0.00 -2.51 0.00 0.00 175.55 173.80 1n62 s ALA 182 N -2.20 -1.96 -0.16 9.51 0.00 -0.14 -3.83 121.76 122.97 1n62 s ALA 182 Ca -0.04 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1n62 s ALA 182 Cb -0.00 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1n62 s ALA 182 CO -0.01 -0.28 -0.11 -0.47 0.00 0.00 0.00 175.76 174.89 1n62 s TYR 183 N -0.65 2.13 -0.23 0.00 5.04 -1.26 -0.68 117.35 121.69 1n62 s TYR 183 Ca 0.00 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1n62 s TYR 183 Cb -0.02 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.78 1n62 s TYR 183 CO -0.01 -0.67 -0.11 -2.00 -1.34 0.00 0.00 175.55 171.41 1n62 s GLU 184 N 1.50 2.72 -0.08 4.97 2.56 0.18 -4.89 118.70 125.66 1n62 s GLU 184 Ca 0.03 -1.03 0.05 0.00 0.00 0.00 0.00 54.97 54.01 1n62 s GLU 184 Cb -0.14 -2.85 -0.01 0.00 2.00 0.00 0.00 34.13 33.14 1n62 s GLU 184 CO -0.09 -0.39 -0.25 0.21 -0.56 0.00 0.00 175.26 174.18 1n62 s LYS 185 N 1.26 2.79 -0.22 4.30 2.20 -1.26 -0.68 119.74 128.13 1n62 s LYS 185 Ca -0.01 -0.89 -0.06 0.00 -0.36 0.00 0.00 55.97 54.64 1n62 s LYS 185 Cb -0.16 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1n62 s LYS 185 CO -0.07 0.28 0.04 -1.17 -0.36 0.00 0.00 175.35 174.08 1n62 s LEU 186 N 0.08 3.41 0.09 5.43 2.96 -0.09 -5.00 118.68 125.56 1n62 s LEU 186 Ca -0.11 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1n62 s LEU 186 Cb -0.16 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1n62 s LEU 186 CO 0.06 0.03 0.17 -1.59 -1.32 0.00 0.00 176.35 173.71 1n62 s LYS 187 N 1.22 0.84 0.25 1.98 -2.85 -1.26 -0.05 119.74 119.87 1n62 s LYS 187 Ca 0.04 -1.00 0.13 0.00 -1.00 0.00 0.00 55.97 54.14 1n62 s LYS 187 Cb -0.14 0.33 0.20 0.00 -2.06 0.00 0.00 37.83 36.15 1n62 s LYS 187 CO 0.03 -0.26 1.50 0.00 0.10 0.00 0.00 175.35 176.72 1n62 h ARG 188 N 2.78 0.00 -1.76 1.78 3.08 -1.88 -3.48 114.38 114.90 1n62 h ARG 188 Ca -0.34 0.00 0.26 0.00 0.07 0.00 0.00 59.98 59.97 1n62 h ARG 188 Cb 1.20 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.12 1n62 h ARG 188 CO 0.57 0.64 0.71 -1.59 -1.07 0.00 0.00 179.97 179.23 1n62 s LYS 189 N -3.18 0.64 0.11 0.04 -2.85 -1.26 -5.06 119.74 108.18 1n62 s LYS 189 Ca 0.01 -0.33 -0.34 0.00 -1.00 0.00 0.00 55.97 54.31 1n62 s LYS 189 Cb 0.10 0.23 -0.18 0.00 -2.06 0.00 0.00 37.83 35.92 1n62 s LYS 189 CO 0.76 -0.29 0.89 -0.89 0.10 0.00 0.00 175.35 175.92 1n62 n ILE 190 N -0.41 0.95 0.00 3.79 2.08 -1.26 -1.59 119.36 122.92 1n62 n ILE 190 Ca -0.07 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1n62 n ILE 190 Cb 0.61 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 1n62 n ILE 190 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1n62 n GLY 191 N 1.79 2.46 3.78 7.39 0.00 -1.18 -5.00 105.19 114.45 1n62 n GLY 191 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1n62 n GLY 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n62 s ASP 192 N -2.31 7.13 0.57 1.61 2.15 -0.62 -4.52 116.67 120.68 1n62 s ASP 192 Ca 0.00 1.89 -0.18 0.00 0.43 0.00 0.00 52.55 54.69 1n62 s ASP 192 Cb 0.00 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1n62 s ASP 192 CO 0.00 -0.22 1.11 -0.31 -0.17 0.00 0.00 175.17 175.58 1n62 s TYR 193 N -1.67 2.71 0.28 -5.34 2.02 -1.26 -4.83 117.35 109.25 1n62 s TYR 193 Ca 0.53 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 58.48 1n62 s TYR 193 Cb -0.19 -3.22 -0.10 0.00 -0.40 0.00 0.00 41.96 38.04 1n62 s TYR 193 CO 0.24 -1.51 1.46 0.00 -1.57 0.00 0.00 175.55 174.18 1n62 s ALA 194 N -1.97 3.63 0.20 3.71 0.00 -1.26 -4.67 121.76 121.39 1n62 s ALA 194 Ca 0.70 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.94 1n62 s ALA 194 Cb -0.22 -3.57 0.21 0.00 0.00 0.00 0.00 23.12 19.54 1n62 s ALA 194 CO 0.30 -0.81 1.78 1.15 0.00 0.00 0.00 175.76 178.19 1n62 h THR 195 N 3.40 0.91 -1.82 0.00 2.02 -0.80 -3.45 112.91 113.17 1n62 h THR 195 Ca -0.47 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1n62 h THR 195 Cb 1.22 0.34 -0.21 0.00 -1.74 0.00 0.00 68.15 67.75 1n62 h THR 195 CO 0.75 0.10 0.32 0.00 0.37 0.00 0.00 175.52 177.06 1n62 s ALA 196 N -6.11 -1.85 0.04 6.16 0.00 -1.21 -4.73 121.76 114.07 1n62 s ALA 196 Ca -0.13 1.56 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 1n62 s ALA 196 Cb 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1n62 s ALA 196 CO 0.74 -0.33 0.12 0.00 0.00 0.00 0.00 175.76 176.30 1n62 s ALA 197 N -0.79 -0.16 -0.05 0.00 0.00 -1.01 -0.92 121.76 118.84 1n62 s ALA 197 Ca -0.05 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1n62 s ALA 197 Cb -0.01 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1n62 s ALA 197 CO 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 175.76 175.36 1n62 s ALA 198 N -2.56 1.17 -0.14 0.00 0.00 0.14 -0.68 121.76 119.69 1n62 s ALA 198 Ca -0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1n62 s ALA 198 Cb -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1n62 s ALA 198 CO -0.04 0.15 0.04 0.00 0.00 0.00 0.00 175.76 175.91 1n62 s ALA 199 N 0.40 3.40 -0.03 0.00 0.00 0.52 -0.65 121.76 125.41 1n62 s ALA 199 Ca -0.09 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1n62 s ALA 199 Cb -0.13 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.26 1n62 s ALA 199 CO 0.02 0.38 -0.01 0.08 0.00 0.00 0.00 175.76 176.23 1n62 s VAL 200 N -0.24 0.24 -0.03 0.00 1.01 0.14 -0.39 120.40 121.13 1n62 s VAL 200 Ca 0.07 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1n62 s VAL 200 Cb -0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1n62 s VAL 200 CO 0.02 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.42 1n62 s VAL 201 N 0.77 1.25 0.15 2.92 1.01 -0.56 -0.97 120.40 124.96 1n62 s VAL 201 Ca -0.08 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1n62 s VAL 201 Cb -0.11 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1n62 s VAL 201 CO -0.01 0.36 0.33 -1.48 0.00 0.00 0.00 175.10 174.30 1n62 s LEU 202 N 0.01 0.80 0.16 3.92 0.05 -0.35 -0.52 118.68 122.76 1n62 s LEU 202 Ca -0.02 -0.66 0.06 0.00 0.05 0.00 0.00 54.13 53.55 1n62 s LEU 202 Cb -0.10 1.44 -0.04 0.00 -2.05 0.00 0.00 46.19 45.44 1n62 s LEU 202 CO 0.01 -0.88 -0.13 0.42 -0.55 0.00 0.00 176.35 175.22 1n62 s THR 203 N -3.90 1.43 0.07 5.48 -4.23 -0.25 -0.23 115.64 114.01 1n62 s THR 203 Ca 0.11 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1n62 s THR 203 Cb 0.03 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1n62 s THR 203 CO -0.05 -0.62 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.23 1n62 s MET 204 N -3.49 0.81 -0.07 3.99 -1.94 -1.26 -0.32 119.30 117.02 1n62 s MET 204 Ca 0.17 -0.93 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1n62 s MET 204 Cb -0.00 -0.81 0.04 0.00 2.01 0.00 0.00 34.83 36.06 1n62 s MET 204 CO 0.03 0.18 0.15 0.45 -0.01 0.00 0.00 175.02 175.83 1n62 s SER 205 N -1.69 -0.12 -1.00 3.03 0.15 0.12 -4.86 113.70 109.33 1n62 s SER 205 Ca -0.02 0.31 -0.19 0.00 0.70 0.00 0.00 55.95 56.75 1n62 s SER 205 Cb -0.10 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1n62 s SER 205 CO 0.02 -0.14 0.62 0.61 1.20 0.00 0.00 173.24 175.55 1n62 n GLY 206 N 4.03 -1.01 3.57 9.45 0.00 -1.26 -1.67 105.19 118.30 1n62 n GLY 206 Ca -0.24 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1n62 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n62 n GLY 207 N -1.86 0.86 3.56 -0.02 0.00 -1.26 -5.07 105.19 101.40 1n62 n GLY 207 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1n62 n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n62 s LYS 208 N -0.32 2.29 0.03 1.61 1.02 -0.67 -4.19 119.74 119.51 1n62 s LYS 208 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 1n62 s LYS 208 Cb 0.00 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1n62 s LYS 208 CO 0.00 0.55 1.09 0.00 -0.92 0.00 0.00 175.35 176.08 1n62 n VAL 210 N 3.95 1.46 -3.99 0.00 0.31 0.57 0.11 118.33 120.73 1n62 n VAL 210 Ca 0.08 -0.57 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 1n62 n VAL 210 Cb 0.49 -1.37 -0.11 0.00 -0.91 0.00 0.00 33.84 31.94 1n62 n VAL 210 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1n62 s THR 211 N -2.51 0.12 -0.16 2.52 -4.23 -1.19 -4.82 115.64 105.38 1n62 s THR 211 Ca -0.34 -0.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.98 1n62 s THR 211 Cb 0.09 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.60 1n62 s THR 211 CO 0.60 -0.54 0.53 0.00 -0.54 0.00 0.00 174.62 174.67 1n62 s ALA 212 N -1.68 -1.33 -0.07 3.99 0.00 -1.26 -1.09 121.76 120.31 1n62 s ALA 212 Ca -0.14 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 1n62 s ALA 212 Cb -0.08 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1n62 s ALA 212 CO -0.02 -0.27 0.18 0.45 0.00 0.00 0.00 175.76 176.10 1n62 s SER 213 N -0.12 -0.19 -0.06 0.00 0.15 0.32 -4.53 113.70 109.27 1n62 s SER 213 Ca -0.03 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.00 1n62 s SER 213 Cb -0.03 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1n62 s SER 213 CO 0.03 -0.07 -0.08 -0.63 1.20 0.00 0.00 173.24 173.68 1n62 s ILE 214 N 0.12 0.88 0.11 6.45 1.01 -1.26 -1.50 121.20 127.01 1n62 s ILE 214 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1n62 s ILE 214 Cb -0.01 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1n62 s ILE 214 CO 0.00 0.30 -0.09 -0.83 0.00 0.00 0.00 174.94 174.32 1n62 s GLY 215 N 0.90 1.80 -0.10 6.18 0.00 0.48 -0.44 107.32 116.14 1n62 s GLY 215 Ca -0.11 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.40 1n62 s GLY 215 CO 0.01 -1.23 -0.18 1.08 0.00 0.00 0.00 173.10 172.78 1n62 s LEU 216 N -2.25 1.88 -0.15 0.66 1.43 0.92 -0.35 118.68 120.82 1n62 s LEU 216 Ca 0.22 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1n62 s LEU 216 Cb -0.11 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1n62 s LEU 216 CO 0.14 0.08 0.04 -0.89 0.23 0.00 0.00 176.35 175.96 1n62 s THR 217 N 0.63 4.64 -1.44 5.49 2.01 0.14 -1.23 115.64 125.88 1n62 s THR 217 Ca -0.14 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 1n62 s THR 217 Cb -0.16 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1n62 s THR 217 CO 0.04 0.51 0.93 -3.20 -0.69 0.00 0.00 174.62 172.21 1n62 n ASN 218 N 3.09 -6.28 -0.64 3.53 5.15 -1.08 -2.40 115.26 116.63 1n62 n ASN 218 Ca -0.17 -0.43 0.06 0.00 -0.60 0.00 0.00 54.58 53.44 1n62 n ASN 218 Cb 0.53 -4.99 0.13 0.00 -0.53 0.00 0.00 39.78 34.91 1n62 n ASN 218 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1n62 n VAL 219 N -4.79 1.39 -3.90 3.44 0.24 -1.26 -4.69 118.33 108.76 1n62 n VAL 219 Ca -0.05 -2.13 -0.03 0.00 -2.04 0.00 0.00 64.34 60.09 1n62 n VAL 219 Cb 0.59 0.11 0.02 0.00 -1.47 0.00 0.00 33.84 33.09 1n62 n VAL 219 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n62 s ALA 220 N -2.07 -1.57 -1.25 2.33 0.00 -1.25 -0.31 121.76 117.64 1n62 s ALA 220 Ca 0.31 -0.41 0.19 0.00 0.00 0.00 0.00 51.96 52.05 1n62 s ALA 220 Cb 0.31 0.79 0.90 0.00 0.00 0.00 0.00 23.12 25.11 1n62 s ALA 220 CO -0.06 -1.07 1.59 0.09 0.00 0.00 0.00 175.76 176.32 1n62 n ASN 221 N -1.31 0.00 -4.25 0.00 3.02 -1.26 -4.73 115.26 106.73 1n62 n ASN 221 Ca -0.02 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.60 1n62 n ASN 221 Cb 0.59 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 1n62 n ASN 221 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n62 s THR 222 N -2.75 0.41 0.88 3.41 -4.23 -1.26 -2.01 115.64 110.09 1n62 s THR 222 Ca 0.14 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.55 1n62 s THR 222 Cb 0.13 -2.39 0.09 0.00 1.34 0.00 0.00 72.50 71.66 1n62 s THR 222 CO 0.31 -0.19 0.96 -0.81 -0.54 0.00 0.00 174.62 174.36 1n62 n PRO 223 N -0.32 -0.18 -4.74 3.99 -0.04 -1.26 -4.57 135.00 127.88 1n62 n PRO 223 Ca -0.02 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1n62 n PRO 223 Cb 0.65 -2.25 -0.15 0.00 -0.04 0.00 0.00 33.50 31.71 1n62 n PRO 223 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n62 s LEU 224 N -4.68 2.00 -0.40 1.53 1.43 -0.37 -4.98 118.68 113.21 1n62 s LEU 224 Ca 0.67 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 1n62 s LEU 224 Cb -0.25 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1n62 s LEU 224 CO 0.58 0.18 0.35 0.86 0.23 0.00 0.00 176.35 178.55 1n62 s TRP 225 N -0.27 3.21 -1.35 0.29 -0.00 -1.26 -0.05 118.94 119.51 1n62 s TRP 225 Ca 0.04 -0.38 -0.11 0.00 -0.00 0.00 0.00 56.10 55.64 1n62 s TRP 225 Cb -0.07 -2.70 0.12 0.00 -0.00 0.00 0.00 33.47 30.82 1n62 s TRP 225 CO -0.00 -0.58 2.00 0.00 -0.00 0.00 0.00 176.95 178.37 1n62 n ALA 226 N 5.35 5.41 -0.07 5.86 0.00 0.41 -4.77 120.51 132.70 1n62 n ALA 226 Ca -0.10 -4.15 -0.07 0.00 0.00 0.00 0.00 53.44 49.12 1n62 n ALA 226 Cb 0.48 -3.19 -0.01 0.00 0.00 0.00 0.00 19.45 16.73 1n62 n ALA 226 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n62 h GLU 227 N 5.86 0.06 -0.29 0.00 4.81 -1.94 -1.87 114.58 121.20 1n62 h GLU 227 Ca 0.46 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.54 1n62 h GLU 227 Cb 0.64 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1n62 h GLU 227 CO 1.72 0.04 -0.39 0.93 -0.73 0.00 0.00 179.01 180.58 1n62 h GLU 228 N 0.06 0.70 -0.82 1.92 4.39 -1.91 -1.79 114.58 117.13 1n62 h GLU 228 Ca 0.13 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.51 1n62 h GLU 228 Cb 0.17 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1n62 h GLU 228 CO -0.23 0.97 0.52 0.00 -1.16 0.00 0.00 179.01 179.11 1n62 h ALA 229 N 0.99 1.09 -0.33 3.43 0.00 -1.74 -1.31 119.26 121.39 1n62 h ALA 229 Ca 0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1n62 h ALA 229 Cb 0.92 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1n62 h ALA 229 CO 0.08 0.32 -0.46 0.78 0.00 0.00 0.00 179.25 179.98 1n62 h GLY 230 N 1.00 0.95 1.01 0.00 0.00 -1.06 -3.12 103.07 101.84 1n62 h GLY 230 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1n62 h GLY 230 CO -0.13 0.92 0.48 1.70 0.00 0.00 0.00 176.54 179.51 1n62 h LYS 231 N 0.69 0.97 0.00 4.80 3.64 -0.96 -1.70 116.57 124.01 1n62 h LYS 231 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1n62 h LYS 231 Cb 1.05 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1n62 h LYS 231 CO 0.10 0.65 0.00 -0.24 -2.27 0.00 0.00 179.45 177.70 1n62 h VAL 232 N 0.99 0.00 0.00 2.00 3.04 -1.18 -2.34 116.25 118.76 1n62 h VAL 232 Ca 0.27 -0.33 -0.11 0.00 -1.01 0.00 0.00 66.70 65.52 1n62 h VAL 232 Cb -0.10 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1n62 h VAL 232 CO -0.06 0.00 -0.52 -0.07 -1.01 0.00 0.00 177.57 175.91 1n62 h LEU 233 N 0.00 0.00 -9.68 3.16 3.38 -1.33 -3.44 115.31 107.40 1n62 h LEU 233 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1n62 h LEU 233 Cb 0.33 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.14 1n62 h LEU 233 CO 0.00 0.52 0.87 -0.69 0.09 0.00 0.00 178.44 179.23 1n62 s VAL 234 N -3.14 2.45 0.00 1.22 1.01 -0.88 -1.57 120.40 119.49 1n62 s VAL 234 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1n62 s VAL 234 Cb 0.09 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1n62 s VAL 234 CO 0.73 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1n62 n GLY 235 N 3.13 3.35 3.98 4.51 0.00 0.12 -4.96 105.19 115.33 1n62 n GLY 235 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1n62 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n62 s THR 236 N -2.51 2.18 -1.28 2.61 -4.23 -0.61 -4.67 115.64 107.14 1n62 s THR 236 Ca 0.00 -0.55 0.16 0.00 -1.18 0.00 0.00 61.69 60.12 1n62 s THR 236 Cb 0.00 -2.63 0.62 0.00 1.34 0.00 0.00 72.50 71.84 1n62 s THR 236 CO 0.00 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.59 1n62 n ALA 237 N -2.85 2.97 -3.85 3.99 0.00 -1.26 -0.70 120.51 118.81 1n62 n ALA 237 Ca 0.14 -1.34 -0.27 0.00 0.00 0.00 0.00 53.44 51.97 1n62 n ALA 237 Cb 0.60 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1n62 n ALA 237 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n62 n LEU 238 N 0.99 -2.49 0.00 0.00 4.77 -1.26 -4.96 117.00 114.05 1n62 n LEU 238 Ca 0.22 -0.99 -0.15 0.00 -0.03 0.00 0.00 56.01 55.07 1n62 n LEU 238 Cb 0.77 -2.32 0.01 0.00 -2.33 0.00 0.00 43.42 39.54 1n62 n LEU 238 CO 0.20 0.45 0.08 -0.90 -1.33 0.00 0.00 177.39 175.89 1n62 n ASP 239 N -2.90 1.86 -0.26 -1.43 5.68 -1.26 -4.85 116.55 113.39 1n62 n ASP 239 Ca -0.25 -2.07 -0.04 0.00 -0.50 0.00 0.00 54.79 51.93 1n62 n ASP 239 Cb 0.66 -0.07 0.12 0.00 -1.14 0.00 0.00 41.12 40.69 1n62 n ASP 239 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1n62 h LYS 240 N 0.00 1.11 -0.79 0.11 3.64 -1.98 0.32 116.57 118.98 1n62 h LYS 240 Ca -0.20 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1n62 h LYS 240 Cb 0.74 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1n62 h LYS 240 CO 0.30 0.88 0.35 -1.35 -2.27 0.00 0.00 179.45 177.36 1n62 h PRO 241 N 1.10 1.15 -0.40 1.90 0.11 -1.99 0.23 132.00 134.11 1n62 h PRO 241 Ca 0.26 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1n62 h PRO 241 Cb 0.15 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1n62 h PRO 241 CO -0.03 0.91 -0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1n62 h ALA 242 N 1.18 0.54 -0.23 -0.75 0.00 -1.65 -2.71 119.26 115.65 1n62 h ALA 242 Ca 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1n62 h ALA 242 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n62 h ALA 242 CO -0.03 0.32 0.02 -0.07 0.00 0.00 0.00 179.25 179.49 1n62 h LEU 243 N 0.53 0.30 -0.65 0.00 -0.00 -0.46 -2.34 115.31 112.70 1n62 h LEU 243 Ca 0.11 -0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1n62 h LEU 243 Cb 0.48 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1n62 h LEU 243 CO 0.02 0.35 0.43 0.44 -0.00 0.00 0.00 178.44 179.68 1n62 h ASP 244 N 0.33 0.74 -0.35 -0.43 3.32 -0.23 0.32 116.42 120.12 1n62 h ASP 244 Ca 0.08 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1n62 h ASP 244 Cb 0.20 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1n62 h ASP 244 CO 0.00 0.53 0.09 0.11 -1.72 0.00 0.00 179.24 178.26 1n62 h LYS 245 N 0.87 0.56 -0.61 3.56 1.57 -1.30 -1.87 116.57 119.35 1n62 h LYS 245 Ca 0.24 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1n62 h LYS 245 Cb -0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1n62 h LYS 245 CO -0.06 0.60 0.32 0.00 -0.57 0.00 0.00 179.45 179.74 1n62 h ALA 246 N 0.93 0.78 -0.33 3.86 0.00 -0.84 -1.63 119.26 122.04 1n62 h ALA 246 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n62 h ALA 246 Cb 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1n62 h ALA 246 CO -0.00 0.32 0.16 0.28 0.00 0.00 0.00 179.25 180.01 1n62 h VAL 247 N 0.83 0.99 -0.73 0.00 2.07 -0.31 0.13 116.25 119.23 1n62 h VAL 247 Ca 0.21 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1n62 h VAL 247 Cb 0.07 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1n62 h VAL 247 CO -0.03 0.06 0.47 0.00 0.02 0.00 0.00 177.57 178.09 1n62 h ALA 248 N 1.17 0.94 -0.09 1.67 0.00 -0.92 0.13 119.26 122.15 1n62 h ALA 248 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1n62 h ALA 248 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1n62 h ALA 248 CO -0.09 0.30 -0.50 -0.07 0.00 0.00 0.00 179.25 178.89 1n62 h LEU 249 N 0.95 0.27 -0.02 0.00 3.38 -0.78 -1.65 115.31 117.46 1n62 h LEU 249 Ca 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1n62 h LEU 249 Cb -0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1n62 h LEU 249 CO -0.08 0.73 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 1n62 h ALA 250 N 1.28 0.03 -0.58 1.53 0.00 -0.30 -3.25 119.26 117.98 1n62 h ALA 250 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1n62 h ALA 250 Cb 0.96 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1n62 h ALA 250 CO 0.08 -0.18 0.39 0.93 0.00 0.00 0.00 179.25 180.46 1n62 h GLU 251 N -0.45 0.66 0.00 0.00 5.08 -0.61 -2.48 114.58 116.78 1n62 h GLU 251 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1n62 h GLU 251 Cb 0.56 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1n62 h GLU 251 CO 0.01 0.44 -0.14 0.00 -1.00 0.00 0.00 179.01 178.32 1n62 h ALA 252 N 1.66 1.24 -0.02 3.43 0.00 -1.33 -1.69 119.26 122.55 1n62 h ALA 252 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n62 h ALA 252 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n62 h ALA 252 CO -0.06 0.17 -0.16 0.44 0.00 0.00 0.00 179.25 179.64 1n62 n ILE 253 N -3.60 0.00 -1.89 0.00 -5.35 -0.94 -4.94 119.36 102.64 1n62 n ILE 253 Ca -0.01 -0.27 -0.32 0.00 -0.27 0.00 0.00 62.75 61.87 1n62 n ILE 253 Cb 0.27 0.82 0.02 0.00 -1.74 0.00 0.00 39.64 39.01 1n62 n ILE 253 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1n62 s THR 254 N -2.23 4.03 -0.47 7.28 -4.23 -0.64 -4.95 115.64 114.44 1n62 s THR 254 Ca 0.29 0.82 0.06 0.00 -1.18 0.00 0.00 61.69 61.68 1n62 s THR 254 Cb 0.20 -3.46 0.24 0.00 1.34 0.00 0.00 72.50 70.82 1n62 s THR 254 CO 0.42 -0.70 0.80 0.00 -0.54 0.00 0.00 174.62 174.60 1n62 n ALA 255 N -2.44 -0.53 -1.50 3.99 0.00 0.58 -5.00 120.51 115.60 1n62 n ALA 255 Ca 0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 53.44 51.36 1n62 n ALA 255 Cb 0.53 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.85 1n62 n ALA 255 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n62 s PRO 256 N 0.28 2.15 0.51 0.00 0.02 -1.06 -3.86 135.00 133.03 1n62 s PRO 256 Ca 0.33 0.74 -0.18 0.00 0.02 0.00 0.00 61.00 61.90 1n62 s PRO 256 Cb 0.21 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.73 1n62 s PRO 256 CO -0.21 -1.60 1.01 0.00 -0.33 0.00 0.00 177.00 175.87 1n62 s ALA 257 N -3.10 2.92 -0.37 -1.55 0.00 -1.26 -4.66 121.76 113.74 1n62 s ALA 257 Ca 0.61 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 1n62 s ALA 257 Cb -0.15 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 1n62 s ALA 257 CO 0.55 -0.32 0.26 -1.12 0.00 0.00 0.00 175.76 175.13 1n62 s SER 258 N -2.46 6.04 0.00 0.00 0.01 -1.26 -4.16 113.70 111.86 1n62 s SER 258 Ca 0.63 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1n62 s SER 258 Cb -0.13 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1n62 s SER 258 CO 0.25 -0.32 0.00 -0.90 0.41 0.00 0.00 173.24 172.68 1n62 n ASP 259 N 5.11 0.00 0.28 2.44 5.68 -1.00 -4.97 116.55 124.09 1n62 n ASP 259 Ca -0.12 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.34 1n62 n ASP 259 Cb 0.49 0.00 0.90 0.00 -1.14 0.00 0.00 41.12 41.37 1n62 n ASP 259 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1n62 h GLY 260 N 0.00 0.00 1.95 6.12 0.00 -2.03 -0.74 103.07 108.37 1n62 h GLY 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n62 h GLY 260 CO 0.00 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.05 1n62 n ARG 261 N -2.73 0.10 0.00 4.80 1.74 -1.26 -5.00 116.66 114.30 1n62 n ARG 261 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1n62 n ARG 261 Cb 0.14 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1n62 n ARG 261 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n62 n GLY 262 N 1.43 1.13 3.81 -0.13 0.00 -0.28 -4.91 105.19 106.24 1n62 n GLY 262 Ca 0.06 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 1n62 n GLY 262 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n62 s PRO 263 N -1.11 2.89 0.25 1.61 0.04 -1.26 -2.38 135.00 135.03 1n62 s PRO 263 Ca 0.00 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1n62 s PRO 263 Cb 0.00 -1.98 0.44 0.00 0.04 0.00 0.00 34.50 32.99 1n62 s PRO 263 CO 0.00 -1.14 1.78 0.00 0.04 0.00 0.00 177.00 177.68 1n62 h ALA 264 N -0.71 1.17 -0.74 8.56 0.00 -1.83 -1.65 119.26 124.06 1n62 h ALA 264 Ca -0.44 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1n62 h ALA 264 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1n62 h ALA 264 CO 0.56 -0.02 0.28 1.49 0.00 0.00 0.00 179.25 181.57 1n62 h GLU 265 N 0.67 1.10 -0.52 0.00 4.81 -1.93 0.10 114.58 118.82 1n62 h GLU 265 Ca 0.41 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1n62 h GLU 265 Cb 0.48 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1n62 h GLU 265 CO -0.30 0.90 0.30 -0.92 -0.73 0.00 0.00 179.01 178.26 1n62 h TYR 266 N 1.07 0.70 -0.27 0.92 3.20 -1.69 -1.11 116.97 119.80 1n62 h TYR 266 Ca 0.24 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 1n62 h TYR 266 Cb 0.22 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1n62 h TYR 266 CO 0.02 0.51 -0.20 0.00 -1.64 0.00 0.00 178.16 176.85 1n62 h ARG 267 N 0.69 0.49 -0.36 1.82 3.08 -0.62 0.23 114.38 119.71 1n62 h ARG 267 Ca 0.18 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1n62 h ARG 267 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1n62 h ARG 267 CO -0.03 0.67 0.12 1.15 -1.07 0.00 0.00 179.97 180.80 1n62 h THR 268 N 0.44 1.21 -0.37 2.04 2.02 -0.58 0.07 112.91 117.74 1n62 h THR 268 Ca 0.07 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 1n62 h THR 268 Cb 0.60 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1n62 h THR 268 CO 0.04 0.24 0.01 0.11 0.37 0.00 0.00 175.52 176.29 1n62 h LYS 269 N 0.44 0.57 0.00 6.66 1.79 -0.29 -2.24 116.57 123.51 1n62 h LYS 269 Ca 0.12 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1n62 h LYS 269 Cb 0.25 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1n62 h LYS 269 CO -0.00 0.59 -0.52 0.52 -1.08 0.00 0.00 179.45 178.95 1n62 h MET 270 N 0.55 0.00 -0.69 3.15 2.86 -0.03 -0.81 114.93 119.97 1n62 h MET 270 Ca 0.12 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 1n62 h MET 270 Cb 0.33 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1n62 h MET 270 CO 0.01 0.52 0.39 0.00 1.06 0.00 0.00 176.91 178.90 1n62 h ALA 271 N 1.48 0.92 -0.50 6.32 0.00 -0.39 0.21 119.26 127.29 1n62 h ALA 271 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1n62 h ALA 271 Cb 0.98 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1n62 h ALA 271 CO 0.07 0.08 0.12 0.78 0.00 0.00 0.00 179.25 180.31 1n62 h GLY 272 N 0.73 0.86 0.90 0.00 0.00 -1.04 0.24 103.07 104.75 1n62 h GLY 272 Ca 0.30 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1n62 h GLY 272 CO -0.17 0.50 0.09 -2.08 0.00 0.00 0.00 176.54 174.88 1n62 h VAL 273 N 0.69 1.19 -0.65 4.60 2.07 -0.75 -0.44 116.25 122.95 1n62 h VAL 273 Ca 0.16 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1n62 h VAL 273 Cb 0.33 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1n62 h VAL 273 CO 0.00 0.20 0.37 0.24 0.02 0.00 0.00 177.57 178.40 1n62 h MET 274 N 0.27 0.89 -0.03 1.57 2.86 -0.47 -0.37 114.93 119.65 1n62 h MET 274 Ca 0.09 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n62 h MET 274 Cb 0.22 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1n62 h MET 274 CO -0.00 0.64 0.01 1.25 1.06 0.00 0.00 176.91 179.87 1n62 h LEU 275 N 0.90 0.03 -0.63 1.22 5.85 -0.54 0.27 115.31 122.42 1n62 h LEU 275 Ca 0.23 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1n62 h LEU 275 Cb 0.00 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1n62 h LEU 275 CO -0.04 0.09 0.32 0.03 -0.34 0.00 0.00 178.44 178.49 1n62 h ARG 276 N -0.03 0.56 -0.23 1.25 3.08 -0.49 0.20 114.38 118.73 1n62 h ARG 276 Ca 0.01 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1n62 h ARG 276 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1n62 h ARG 276 CO -0.00 0.37 -0.50 0.00 -1.07 0.00 0.00 179.97 178.77 1n62 h ARG 277 N 0.58 0.63 -0.47 0.04 3.08 -0.76 -1.27 114.38 116.21 1n62 h ARG 277 Ca 0.29 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1n62 h ARG 277 Cb 0.24 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1n62 h ARG 277 CO -0.21 0.99 0.04 0.00 -1.07 0.00 0.00 179.97 179.72 1n62 h ALA 278 N 0.95 0.62 -0.55 0.04 0.00 0.12 -1.36 119.26 119.07 1n62 h ALA 278 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1n62 h ALA 278 Cb 1.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1n62 h ALA 278 CO 0.10 0.38 0.29 0.28 0.00 0.00 0.00 179.25 180.30 1n62 h VAL 279 N 0.65 1.19 -0.39 0.00 2.07 -0.47 0.95 116.25 120.26 1n62 h VAL 279 Ca 0.14 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1n62 h VAL 279 Cb 0.44 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1n62 h VAL 279 CO 0.02 0.21 0.25 -0.08 0.02 0.00 0.00 177.57 177.99 1n62 h GLU 280 N 0.75 0.50 -0.55 1.57 4.81 -1.00 0.17 114.58 120.82 1n62 h GLU 280 Ca 0.19 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1n62 h GLU 280 Cb 0.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1n62 h GLU 280 CO -0.03 0.33 -0.02 0.00 -0.73 0.00 0.00 179.01 178.56 1n62 h ARG 281 N 0.51 0.99 -0.67 1.92 3.08 -0.92 -1.64 114.38 117.65 1n62 h ARG 281 Ca 0.15 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1n62 h ARG 281 Cb -0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1n62 h ARG 281 CO -0.04 1.00 0.42 0.00 -1.07 0.00 0.00 179.97 180.28 1n62 h ALA 282 N 0.96 0.85 -0.52 0.04 0.00 -0.48 -1.60 119.26 118.50 1n62 h ALA 282 Ca 0.15 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n62 h ALA 282 Cb 0.56 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1n62 h ALA 282 CO 0.03 0.31 0.32 -0.22 0.00 0.00 0.00 179.25 179.69 1n62 h LYS 283 N 0.91 0.62 -0.93 0.00 3.64 -0.41 0.60 116.57 120.99 1n62 h LYS 283 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1n62 h LYS 283 Cb -0.05 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 1n62 h LYS 283 CO -0.05 0.41 0.60 0.00 -2.27 0.00 0.00 179.45 178.14 1n62 h ALA 284 N 1.22 1.19 -0.00 5.00 0.00 -1.00 -2.73 119.26 122.93 1n62 h ALA 284 Ca 0.21 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1n62 h ALA 284 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1n62 h ALA 284 CO -0.08 0.61 -0.69 0.00 0.00 0.00 0.00 179.25 179.08 1n62 h ARG 285 N 1.27 0.02 0.00 0.00 3.08 -0.65 -3.51 114.38 114.59 1n62 h ARG 285 Ca 0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1n62 h ARG 285 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1n62 h ARG 285 CO -0.07 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 179.53