#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 n ILE 8 N 0.00 0.00 0.57 1.09 -0.00 -1.26 -3.52 119.36 116.24 3a12 n ILE 8 Ca 0.00 -0.04 0.13 0.00 -0.00 0.00 0.00 62.75 62.83 3a12 n ILE 8 Cb 0.00 -0.10 0.43 0.00 -0.00 0.00 0.00 39.64 39.97 3a12 n ILE 8 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3a12 n TYR 9 N -1.11 0.90 0.19 1.39 4.01 -1.26 -3.60 117.16 117.68 3a12 n TYR 9 Ca 0.12 0.28 0.11 0.00 -0.16 0.00 0.00 57.90 58.26 3a12 n TYR 9 Cb 0.30 -0.96 0.66 0.00 -0.31 0.00 0.00 39.34 39.02 3a12 n TYR 9 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3a12 h ASP 10 N 0.00 0.00 -0.29 7.72 3.32 -1.88 -1.69 116.42 123.59 3a12 h ASP 10 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3a12 h ASP 10 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3a12 h ASP 10 CO 0.00 0.00 0.27 0.22 -1.72 0.00 0.00 179.24 178.01 3a12 h TYR 11 N 0.00 0.00 -0.01 4.55 3.20 -1.85 -2.86 116.97 119.99 3a12 h TYR 11 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3a12 h TYR 11 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3a12 h TYR 11 CO 0.00 0.00 -0.07 0.66 -1.64 0.00 0.00 178.16 177.11 3a12 n TYR 12 N -4.00 0.00 -3.27 -3.82 4.01 -0.64 -4.74 117.16 104.70 3a12 n TYR 12 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 3a12 n TYR 12 Cb 0.42 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 3a12 n TYR 12 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a12 s VAL 13 N -2.14 5.11 -0.39 -0.72 1.01 -1.08 -0.98 120.40 121.21 3a12 s VAL 13 Ca 0.34 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.22 3a12 s VAL 13 Cb 0.20 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.93 3a12 s VAL 13 CO 0.38 0.16 0.30 -0.62 0.00 0.00 0.00 175.10 175.32 3a12 s ASP 14 N 1.27 1.93 0.19 3.32 -1.08 -0.45 -4.91 116.67 116.94 3a12 s ASP 14 Ca 0.22 -2.57 0.20 0.00 -0.52 0.00 0.00 52.55 49.87 3a12 s ASP 14 Cb -0.15 -0.28 0.86 0.00 -1.46 0.00 0.00 42.92 41.89 3a12 s ASP 14 CO 0.09 -0.23 1.60 0.29 0.52 0.00 0.00 175.17 177.44 3a12 n LYS 15 N 3.43 0.13 0.00 4.34 5.02 -1.26 -2.01 118.16 127.81 3a12 n LYS 15 Ca 0.21 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 57.04 3a12 n LYS 15 Cb 0.44 -1.77 0.31 0.00 -0.02 0.00 0.00 35.03 33.99 3a12 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a12 n GLY 16 N -0.26 -0.73 3.74 0.72 0.00 -1.26 -4.87 105.19 102.53 3a12 n GLY 16 Ca 0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3a12 n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a12 s TYR 17 N -2.63 3.49 -0.21 1.61 5.04 -0.85 -5.04 117.35 118.76 3a12 s TYR 17 Ca 0.20 1.50 -0.03 0.00 -2.44 0.00 0.00 57.07 56.31 3a12 s TYR 17 Cb 0.19 -3.37 -0.00 0.00 0.35 0.00 0.00 41.96 39.13 3a12 s TYR 17 CO 0.57 -0.97 -0.08 -2.00 -1.34 0.00 0.00 175.55 171.74 3a12 s GLU 18 N -0.35 3.27 0.50 4.97 2.56 -1.26 -4.91 118.70 123.49 3a12 s GLU 18 Ca 0.51 -0.68 -0.20 0.00 0.00 0.00 0.00 54.97 54.60 3a12 s GLU 18 Cb -0.31 -2.91 -0.08 0.00 2.00 0.00 0.00 34.13 32.83 3a12 s GLU 18 CO 0.36 -0.21 1.07 -1.25 -0.56 0.00 0.00 175.26 174.68 3a12 s PRO 19 N 1.43 3.65 -0.25 4.30 0.04 -1.26 -5.00 135.00 137.91 3a12 s PRO 19 Ca 0.05 1.45 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 3a12 s PRO 19 Cb -0.14 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3a12 s PRO 19 CO -0.06 -0.57 0.66 0.45 0.04 0.00 0.00 177.00 177.52 3a12 s SER 20 N -1.90 6.61 0.55 6.66 0.15 -1.26 -4.95 113.70 119.56 3a12 s SER 20 Ca 0.69 0.75 0.24 0.00 0.70 0.00 0.00 55.95 58.33 3a12 s SER 20 Cb -0.19 -2.35 1.50 0.00 -1.71 0.00 0.00 66.02 63.27 3a12 s SER 20 CO 0.22 -0.39 2.12 0.11 1.20 0.00 0.00 173.24 176.50 3a12 h LYS 21 N 7.87 0.00 0.00 5.44 1.57 -1.94 0.14 116.57 129.65 3a12 h LYS 21 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3a12 h LYS 21 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3a12 h LYS 21 CO 0.79 0.00 -1.30 1.63 -0.57 0.00 0.00 179.45 180.00 3a12 n LYS 22 N -4.19 0.33 -0.00 3.15 4.76 -1.26 -4.55 118.16 116.40 3a12 n LYS 22 Ca 0.01 -0.06 0.01 0.00 -2.87 0.00 0.00 58.31 55.41 3a12 n LYS 22 Cb 0.26 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 3a12 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a12 n ARG 23 N -1.95 0.54 -4.20 1.97 1.74 -0.96 -4.64 116.66 109.16 3a12 n ARG 23 Ca 0.01 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 3a12 n ARG 23 Cb 0.45 -1.08 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 3a12 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a12 s ASP 24 N -2.50 5.46 0.05 0.55 1.01 -0.00 -1.37 116.67 119.86 3a12 s ASP 24 Ca -0.01 0.14 -0.25 0.00 0.71 0.00 0.00 52.55 53.14 3a12 s ASP 24 Cb 0.02 -1.74 -0.06 0.00 1.01 0.00 0.00 42.92 42.16 3a12 s ASP 24 CO 0.13 0.30 0.76 -0.63 0.21 0.00 0.00 175.17 175.94 3a12 s ILE 25 N -0.40 4.71 -0.16 0.77 1.01 0.64 -4.10 121.20 123.67 3a12 s ILE 25 Ca 0.08 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.36 3a12 s ILE 25 Cb -0.12 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.25 3a12 s ILE 25 CO 0.02 0.38 -0.19 -0.63 0.00 0.00 0.00 174.94 174.52 3a12 s ILE 26 N -0.14 2.24 -0.19 2.92 1.01 -0.95 -0.14 121.20 125.95 3a12 s ILE 26 Ca 0.38 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3a12 s ILE 26 Cb -0.21 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3a12 s ILE 26 CO 0.23 0.53 0.16 0.00 0.00 0.00 0.00 174.94 175.86 3a12 s ALA 27 N 1.01 3.67 -0.29 9.38 0.00 0.93 -0.07 121.76 136.39 3a12 s ALA 27 Ca -0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 3a12 s ALA 27 Cb -0.15 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 3a12 s ALA 27 CO -0.05 0.14 0.11 0.08 0.00 0.00 0.00 175.76 176.03 3a12 s VAL 28 N 0.40 4.34 -0.02 0.00 1.01 -0.34 -0.75 120.40 125.03 3a12 s VAL 28 Ca 0.10 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3a12 s VAL 28 Cb -0.11 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3a12 s VAL 28 CO -0.01 0.17 -0.16 -0.36 0.00 0.00 0.00 175.10 174.74 3a12 s PHE 29 N 1.59 2.64 -0.47 5.22 0.08 -0.08 0.47 117.98 127.42 3a12 s PHE 29 Ca 0.05 -0.20 -0.19 0.00 0.12 0.00 0.00 56.93 56.70 3a12 s PHE 29 Cb -0.16 -1.58 0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3a12 s PHE 29 CO 0.04 0.19 0.61 0.50 -0.10 0.00 0.00 175.22 176.45 3a12 s ARG 30 N -0.91 3.17 -0.21 0.44 3.52 0.85 -0.13 118.95 125.67 3a12 s ARG 30 Ca 0.12 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 54.95 3a12 s ARG 30 Cb -0.11 -4.03 -0.03 0.00 -1.56 0.00 0.00 34.95 29.22 3a12 s ARG 30 CO 0.02 -1.11 0.05 0.08 -0.81 0.00 0.00 175.30 173.53 3a12 s VAL 31 N 2.63 4.35 -0.35 7.11 1.01 0.23 -1.86 120.40 133.51 3a12 s VAL 31 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3a12 s VAL 31 Cb -0.17 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.28 3a12 s VAL 31 CO 0.14 0.40 0.10 -0.89 0.00 0.00 0.00 175.10 174.85 3a12 s THR 32 N 1.07 3.27 0.55 3.92 2.01 -0.41 -0.20 115.64 125.84 3a12 s THR 32 Ca 0.04 -1.56 -0.20 0.00 0.31 0.00 0.00 61.69 60.27 3a12 s THR 32 Cb -0.14 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 3a12 s THR 32 CO 0.03 -0.33 1.21 -2.16 -0.69 0.00 0.00 174.62 172.68 3a12 s PRO 33 N 1.25 3.23 0.77 4.92 0.04 -1.26 0.89 135.00 144.83 3a12 s PRO 33 Ca 0.00 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 3a12 s PRO 33 Cb -0.21 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.29 3a12 s PRO 33 CO -0.01 -1.01 1.15 0.00 0.04 0.00 0.00 177.00 177.17 3a12 s ALA 34 N -1.55 2.07 0.08 8.56 0.00 -0.14 -4.24 121.76 126.53 3a12 s ALA 34 Ca 0.73 0.62 -0.35 0.00 0.00 0.00 0.00 51.96 52.96 3a12 s ALA 34 Cb -0.31 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.28 3a12 s ALA 34 CO 0.35 -1.94 1.59 0.39 0.00 0.00 0.00 175.76 176.15 3a12 n GLU 35 N -3.18 1.88 -0.10 0.00 1.02 -1.26 -1.71 120.64 117.30 3a12 n GLU 35 Ca 0.12 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3a12 n GLU 35 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 3a12 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a12 n GLY 36 N 3.45 0.57 3.61 0.62 0.00 -1.26 -5.07 105.19 107.11 3a12 n GLY 36 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3a12 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a12 s TYR 37 N -2.28 2.97 0.68 1.61 2.02 -0.69 -5.12 117.35 116.54 3a12 s TYR 37 Ca 0.00 0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.62 3a12 s TYR 37 Cb 0.00 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3a12 s TYR 37 CO 0.00 0.37 1.06 0.95 -1.57 0.00 0.00 175.55 176.37 3a12 s THR 38 N -0.90 4.05 0.30 -0.71 -4.23 -1.26 -4.76 115.64 108.13 3a12 s THR 38 Ca 0.15 0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 61.30 3a12 s THR 38 Cb -0.11 -3.57 0.25 0.00 1.34 0.00 0.00 72.50 70.41 3a12 s THR 38 CO 0.04 -0.87 1.95 -0.29 -0.54 0.00 0.00 174.62 174.91 3a12 h ILE 39 N -0.59 1.21 -0.59 2.99 6.09 -1.98 -1.54 117.51 123.11 3a12 h ILE 39 Ca -0.45 -0.44 -0.05 0.00 -1.37 0.00 0.00 64.86 62.56 3a12 h ILE 39 Cb 1.22 0.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.57 3a12 h ILE 39 CO 0.61 0.22 0.16 -0.33 -3.07 0.00 0.00 178.15 175.73 3a12 h GLU 40 N 1.07 0.90 -0.11 2.19 3.07 -1.98 0.40 114.58 120.12 3a12 h GLU 40 Ca 0.28 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 3a12 h GLU 40 Cb -0.07 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 3a12 h GLU 40 CO -0.06 0.79 -0.42 1.96 -1.40 0.00 0.00 179.01 179.89 3a12 h GLN 41 N 0.87 0.24 0.02 2.33 4.20 -1.80 -0.67 115.11 120.30 3a12 h GLN 41 Ca 0.19 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3a12 h GLN 41 Cb 0.29 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3a12 h GLN 41 CO -0.00 0.62 -0.01 0.00 -0.67 0.00 0.00 178.83 178.77 3a12 h ALA 42 N 1.37 -0.03 -0.52 3.87 0.00 -0.59 -2.77 119.26 120.59 3a12 h ALA 42 Ca 0.02 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3a12 h ALA 42 Cb 0.83 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 3a12 h ALA 42 CO 0.07 -0.12 0.15 0.00 0.00 0.00 0.00 179.25 179.34 3a12 h ALA 43 N 0.09 0.62 -0.93 0.00 0.00 -0.25 -0.77 119.26 118.02 3a12 h ALA 43 Ca -0.00 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3a12 h ALA 43 Cb 0.73 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3a12 h ALA 43 CO 0.01 -0.26 0.60 0.78 0.00 0.00 0.00 179.25 180.38 3a12 h GLY 44 N 0.30 1.38 1.08 0.00 0.00 -1.19 0.60 103.07 105.24 3a12 h GLY 44 Ca 0.26 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3a12 h GLY 44 CO -0.30 0.35 0.12 0.00 0.00 0.00 0.00 176.54 176.72 3a12 h ALA 45 N 1.40 0.92 -0.45 3.60 0.00 -1.05 0.48 119.26 124.17 3a12 h ALA 45 Ca 0.39 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3a12 h ALA 45 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a12 h ALA 45 CO -0.14 0.67 -0.06 0.28 0.00 0.00 0.00 179.25 180.00 3a12 h VAL 46 N 1.06 1.27 -0.23 0.00 2.07 -0.18 -1.77 116.25 118.46 3a12 h VAL 46 Ca 0.21 -1.16 -0.18 0.00 0.82 0.00 0.00 66.70 66.39 3a12 h VAL 46 Cb 0.43 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3a12 h VAL 46 CO 0.01 0.40 -0.58 0.00 0.02 0.00 0.00 177.57 177.41 3a12 h ALA 47 N 0.88 0.52 0.22 1.67 0.00 -0.79 -2.67 119.26 119.09 3a12 h ALA 47 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3a12 h ALA 47 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3a12 h ALA 47 CO 0.04 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.87 3a12 h ALA 48 N 0.77 -0.29 0.00 0.00 0.00 -0.87 -2.92 119.26 115.94 3a12 h ALA 48 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 48 Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a12 h ALA 48 CO 0.12 -0.66 0.00 0.39 0.00 0.00 0.00 179.25 179.11 3a12 n GLU 49 N -5.21 0.23 -0.27 0.00 -0.58 -0.67 -1.01 120.64 113.14 3a12 n GLU 49 Ca -0.09 0.23 0.11 0.00 -0.42 0.00 0.00 57.16 56.99 3a12 n GLU 49 Cb 0.14 -1.79 0.27 0.00 -0.57 0.00 0.00 31.44 29.49 3a12 n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a12 n SER 50 N -2.20 3.51 0.00 1.62 3.41 -1.01 -4.79 113.62 114.17 3a12 n SER 50 Ca 0.05 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3a12 n SER 50 Cb 0.39 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3a12 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a12 n SER 51 N 1.46 0.00 -0.09 4.04 3.41 -0.98 -4.50 113.62 116.97 3a12 n SER 51 Ca 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.84 3a12 n SER 51 Cb 0.58 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 3a12 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a12 n THR 52 N 0.00 0.00 -2.90 6.66 -2.24 -1.11 -5.04 114.28 109.64 3a12 n THR 52 Ca 0.00 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 3a12 n THR 52 Cb 0.00 1.05 0.08 0.00 -2.10 0.00 0.00 70.33 69.36 3a12 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a12 n GLY 53 N 0.32 1.55 2.31 3.38 0.00 -0.18 -5.05 105.19 107.51 3a12 n GLY 53 Ca 0.01 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 3a12 n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3a12 n THR 54 N -2.40 0.00 0.20 2.61 5.66 -1.26 -4.69 114.28 114.40 3a12 n THR 54 Ca 0.16 -1.02 0.09 0.00 -3.05 0.00 0.00 64.05 60.24 3a12 n THR 54 Cb 0.57 0.70 0.19 0.00 -1.55 0.00 0.00 70.33 70.24 3a12 n THR 54 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 3a12 h TRP 55 N 1.67 0.00 -0.43 1.09 5.08 -1.99 -3.44 115.95 117.91 3a12 h TRP 55 Ca -0.19 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.12 3a12 h TRP 55 Cb 0.80 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.84 3a12 h TRP 55 CO 0.00 0.17 -0.47 -0.08 -1.28 0.00 0.00 178.44 176.78 3a12 s THR 56 N -3.20 1.29 0.01 0.12 -1.32 -1.26 -4.72 115.64 106.56 3a12 s THR 56 Ca 0.05 -1.89 -0.24 0.00 -1.21 0.00 0.00 61.69 58.41 3a12 s THR 56 Cb 0.06 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.83 3a12 s THR 56 CO 0.68 0.00 0.72 0.42 -2.21 0.00 0.00 174.62 174.23 3a12 s THR 57 N -2.85 4.84 0.14 5.08 -4.23 -1.26 -4.96 115.64 112.40 3a12 s THR 57 Ca 0.12 1.52 0.04 0.00 -1.18 0.00 0.00 61.69 62.19 3a12 s THR 57 Cb 0.01 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.74 3a12 s THR 57 CO 0.07 0.34 0.16 -0.76 -0.54 0.00 0.00 174.62 173.90 3a12 s LEU 58 N 0.15 3.96 0.00 4.79 2.01 -1.26 -5.09 118.68 123.25 3a12 s LEU 58 Ca 0.37 -0.01 -0.30 0.00 0.01 0.00 0.00 54.13 54.20 3a12 s LEU 58 Cb -0.19 -2.57 -0.03 0.00 0.01 0.00 0.00 46.19 43.40 3a12 s LEU 58 CO 0.21 0.09 1.00 -0.47 1.01 0.00 0.00 176.35 178.19 3a12 s TYR 59 N -1.66 3.64 -0.75 0.29 5.04 -1.26 -4.97 117.35 117.68 3a12 s TYR 59 Ca 0.32 1.67 -0.26 0.00 -2.44 0.00 0.00 57.07 56.36 3a12 s TYR 59 Cb -0.11 -3.14 -0.02 0.00 0.35 0.00 0.00 41.96 39.04 3a12 s TYR 59 CO 0.25 -0.11 1.78 -1.25 -1.34 0.00 0.00 175.55 174.87 3a12 s PRO 60 N 1.02 2.75 0.00 4.97 0.04 -1.26 -4.69 135.00 137.83 3a12 s PRO 60 Ca 0.53 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3a12 s PRO 60 Cb -0.22 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.67 3a12 s PRO 60 CO 0.28 -2.82 0.82 -2.67 0.04 0.00 0.00 177.00 172.65 3a12 n TRP 61 N 12.40 0.00 -4.17 0.56 4.27 -1.26 -5.06 117.44 124.19 3a12 n TRP 61 Ca 0.25 -0.34 -0.10 0.00 -3.89 0.00 0.00 57.50 53.42 3a12 n TRP 61 Cb 0.50 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.32 3a12 n TRP 61 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 3a12 s TYR 62 N -0.67 0.88 -0.19 -2.67 -0.85 -1.26 -5.09 117.35 107.49 3a12 s TYR 62 Ca 0.00 -1.02 -0.29 0.00 -0.52 0.00 0.00 57.07 55.24 3a12 s TYR 62 Cb 0.00 -0.52 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 3a12 s TYR 62 CO 0.00 -0.27 1.80 -2.00 -1.52 0.00 0.00 175.55 173.56 3a12 s GLU 63 N -3.91 3.68 0.27 -3.49 2.12 -1.26 -4.87 118.70 111.25 3a12 s GLU 63 Ca 0.16 1.86 -0.02 0.00 0.36 0.00 0.00 54.97 57.32 3a12 s GLU 63 Cb 0.06 -4.13 0.41 0.00 0.26 0.00 0.00 34.13 30.73 3a12 s GLU 63 CO -0.03 -1.45 1.90 0.37 -0.54 0.00 0.00 175.26 175.52 3a12 h GLN 64 N 11.73 1.14 -0.62 4.30 5.75 -2.00 -2.84 115.11 132.57 3a12 h GLN 64 Ca -0.37 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 57.98 3a12 h GLN 64 Cb 1.18 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3a12 h GLN 64 CO 0.99 0.75 0.07 0.93 -2.65 0.00 0.00 178.83 178.92 3a12 h GLU 65 N 1.17 1.04 -0.21 1.69 3.07 -2.00 -1.80 114.58 117.54 3a12 h GLU 65 Ca 0.41 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 3a12 h GLU 65 Cb 0.11 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3a12 h GLU 65 CO -0.15 0.97 -0.03 -0.09 -1.40 0.00 0.00 179.01 178.32 3a12 h ARG 66 N 0.97 0.39 -0.54 2.33 2.43 -1.92 -1.45 114.38 116.60 3a12 h ARG 66 Ca 0.19 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3a12 h ARG 66 Cb 0.46 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 3a12 h ARG 66 CO 0.02 0.61 0.16 2.35 -1.51 0.00 0.00 179.97 181.60 3a12 h TRP 67 N 0.14 0.27 -0.52 2.20 7.01 -1.37 -1.87 115.95 121.81 3a12 h TRP 67 Ca 0.06 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.99 3a12 h TRP 67 Cb 0.45 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 3a12 h TRP 67 CO 0.04 0.05 -0.08 0.00 -2.79 0.00 0.00 178.44 175.66 3a12 h ALA 68 N 1.39 0.88 -0.20 2.65 0.00 -1.20 -2.46 119.26 120.33 3a12 h ALA 68 Ca 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a12 h ALA 68 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3a12 h ALA 68 CO -0.31 0.64 0.03 0.22 0.00 0.00 0.00 179.25 179.84 3a12 h ASP 69 N 0.84 0.25 0.12 0.00 3.58 -0.71 -2.96 116.42 117.54 3a12 h ASP 69 Ca 0.14 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3a12 h ASP 69 Cb 0.61 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3a12 h ASP 69 CO 0.04 0.27 -0.51 0.18 -2.88 0.00 0.00 179.24 176.34 3a12 n LEU 70 N -4.41 1.37 -4.78 2.28 4.77 -0.76 -4.86 117.00 110.61 3a12 n LEU 70 Ca -0.00 -0.48 -0.37 0.00 -0.03 0.00 0.00 56.01 55.14 3a12 n LEU 70 Cb 0.16 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3a12 n LEU 70 CO 0.36 0.27 0.75 -0.44 -1.33 0.00 0.00 177.39 177.00 3a12 s SER 71 N -2.64 6.71 0.59 -1.43 0.01 -0.96 -4.73 113.70 111.26 3a12 s SER 71 Ca 0.17 2.08 -0.08 0.00 1.31 0.00 0.00 55.95 59.43 3a12 s SER 71 Cb 0.18 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.81 3a12 s SER 71 CO 0.63 -0.53 0.94 0.00 0.41 0.00 0.00 173.24 174.69 3a12 s ALA 72 N -1.63 3.20 -0.11 1.44 0.00 -1.26 -4.77 121.76 118.62 3a12 s ALA 72 Ca 0.58 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 3a12 s ALA 72 Cb -0.23 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.13 3a12 s ALA 72 CO 0.29 -0.74 -0.03 0.15 0.00 0.00 0.00 175.76 175.43 3a12 s LYS 73 N -5.05 1.08 -0.58 0.00 1.02 -0.40 -4.76 119.74 111.05 3a12 s LYS 73 Ca 0.53 -0.17 -0.27 0.00 0.02 0.00 0.00 55.97 56.08 3a12 s LYS 73 Cb -0.11 -1.47 0.03 0.00 -0.52 0.00 0.00 37.83 35.77 3a12 s LYS 73 CO 0.48 -0.34 1.15 0.00 -0.92 0.00 0.00 175.35 175.72 3a12 s ALA 74 N 1.81 3.02 -0.19 5.17 0.00 -0.15 -0.67 121.76 130.74 3a12 s ALA 74 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3a12 s ALA 74 Cb -0.13 -3.99 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 3a12 s ALA 74 CO -0.07 -2.64 0.18 2.48 0.00 0.00 0.00 175.76 175.71 3a12 n TYR 75 N 8.29 0.00 -3.77 0.00 0.18 -0.44 -1.34 117.16 120.08 3a12 n TYR 75 Ca 0.07 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.67 3a12 n TYR 75 Cb 0.49 -0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.27 3a12 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a12 s ASP 76 N -1.50 0.56 -0.13 9.48 2.15 -1.20 -4.46 116.67 121.57 3a12 s ASP 76 Ca 0.01 0.03 0.02 0.00 0.43 0.00 0.00 52.55 53.05 3a12 s ASP 76 Cb 0.03 -0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.52 3a12 s ASP 76 CO 0.18 -0.17 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.45 3a12 s PHE 77 N 1.46 2.48 -0.12 -5.34 0.08 -1.26 -1.16 117.98 114.12 3a12 s PHE 77 Ca -0.04 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 55.79 3a12 s PHE 77 Cb -0.13 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3a12 s PHE 77 CO -0.03 -0.56 -0.10 -1.58 -0.10 0.00 0.00 175.22 172.85 3a12 s HIS 78 N 0.82 1.69 -0.23 0.36 5.65 0.00 -4.99 115.29 118.60 3a12 s HIS 78 Ca -0.08 -0.87 -0.29 0.00 0.25 0.00 0.00 55.06 54.07 3a12 s HIS 78 Cb -0.16 -1.33 0.00 0.00 -1.18 0.00 0.00 32.58 29.92 3a12 s HIS 78 CO -0.01 -0.54 1.14 0.34 -0.65 0.00 0.00 174.74 175.01 3a12 s ASP 79 N 1.55 6.99 0.46 9.88 -1.08 -1.26 -0.88 116.67 132.33 3a12 s ASP 79 Ca 0.03 1.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.72 3a12 s ASP 79 Cb -0.13 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.30 3a12 s ASP 79 CO -0.08 -0.77 1.67 0.24 0.52 0.00 0.00 175.17 176.76 3a12 h MET 80 N 7.94 0.00 0.00 4.34 2.86 -1.63 -3.47 114.93 124.97 3a12 h MET 80 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3a12 h MET 80 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3a12 h MET 80 CO 0.99 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.37 3a12 n GLY 81 N 0.93 0.75 0.04 8.32 0.00 -1.25 -4.89 105.19 109.08 3a12 n GLY 81 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3a12 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a12 n ASP 82 N 0.00 2.00 0.00 1.61 5.68 -1.26 -4.95 116.55 119.63 3a12 n ASP 82 Ca 0.00 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 3a12 n ASP 82 Cb 0.00 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3a12 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a12 n GLY 83 N -0.81 0.08 3.66 6.12 0.00 -1.26 -5.07 105.19 107.90 3a12 n GLY 83 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3a12 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a12 s SER 84 N -2.11 4.63 0.01 1.61 1.04 -1.26 -4.29 113.70 113.33 3a12 s SER 84 Ca 0.00 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.87 3a12 s SER 84 Cb 0.00 -0.90 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 3a12 s SER 84 CO 0.00 0.01 -0.08 0.26 0.98 0.00 0.00 173.24 174.41 3a12 s TRP 85 N -2.22 0.73 -0.24 5.02 0.52 0.71 -1.48 118.94 121.98 3a12 s TRP 85 Ca 0.31 -0.21 -0.24 0.00 0.02 0.00 0.00 56.10 55.97 3a12 s TRP 85 Cb -0.07 -0.46 -0.01 0.00 -1.15 0.00 0.00 33.47 31.79 3a12 s TRP 85 CO 0.20 -0.02 0.82 0.42 0.02 0.00 0.00 176.95 178.40 3a12 s ILE 86 N -0.45 4.84 -0.11 2.03 -1.09 -0.06 0.73 121.20 127.08 3a12 s ILE 86 Ca 0.01 1.55 0.03 0.00 -2.23 0.00 0.00 60.65 60.01 3a12 s ILE 86 Cb -0.05 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 3a12 s ILE 86 CO 0.00 -0.08 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.71 3a12 s VAL 87 N 2.84 2.05 -0.14 2.92 1.01 0.82 -0.82 120.40 129.08 3a12 s VAL 87 Ca 0.35 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3a12 s VAL 87 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3a12 s VAL 87 CO 0.07 0.55 0.26 -0.13 0.00 0.00 0.00 175.10 175.86 3a12 s ARG 88 N 0.52 4.09 -0.08 2.72 0.52 -0.31 -0.91 118.95 125.51 3a12 s ARG 88 Ca -0.14 0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3a12 s ARG 88 Cb -0.17 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.94 3a12 s ARG 88 CO 0.05 0.38 -0.16 0.42 0.02 0.00 0.00 175.30 176.01 3a12 s ILE 89 N 0.05 1.44 -0.16 1.52 1.01 0.07 -1.33 121.20 123.80 3a12 s ILE 89 Ca 0.16 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3a12 s ILE 89 Cb -0.13 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3a12 s ILE 89 CO 0.04 0.42 0.06 0.00 0.00 0.00 0.00 174.94 175.46 3a12 s ALA 90 N 0.63 3.43 -0.04 9.38 0.00 0.16 -0.05 121.76 135.26 3a12 s ALA 90 Ca -0.15 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3a12 s ALA 90 Cb -0.16 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 3a12 s ALA 90 CO 0.04 0.31 -0.23 0.71 0.00 0.00 0.00 175.76 176.59 3a12 s TYR 91 N -0.02 2.18 0.34 0.00 2.02 0.80 -1.28 117.35 121.40 3a12 s TYR 91 Ca 0.06 -0.54 -0.27 0.00 -0.37 0.00 0.00 57.07 55.95 3a12 s TYR 91 Cb -0.12 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 3a12 s TYR 91 CO 0.01 -0.13 1.06 -1.25 -1.57 0.00 0.00 175.55 173.67 3a12 s PRO 92 N -0.32 4.42 0.40 -1.71 0.04 -1.26 -0.26 135.00 136.31 3a12 s PRO 92 Ca 0.02 1.62 0.09 0.00 0.04 0.00 0.00 61.00 62.77 3a12 s PRO 92 Cb -0.11 -2.86 0.88 0.00 0.04 0.00 0.00 34.50 32.45 3a12 s PRO 92 CO 0.01 0.06 1.99 0.27 0.04 0.00 0.00 177.00 179.37 3a12 h PHE 93 N 3.16 0.58 0.00 0.56 -5.15 -1.59 -1.86 116.94 112.64 3a12 h PHE 93 Ca -0.47 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3a12 h PHE 93 Cb 1.21 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 37.19 3a12 h PHE 93 CO 0.59 0.31 0.00 -2.39 -2.00 0.00 0.00 178.31 174.81 3a12 n HIS 94 N -4.48 0.00 0.60 6.09 1.44 -1.26 -2.41 115.22 115.20 3a12 n HIS 94 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.92 3a12 n HIS 94 Cb 0.25 0.00 0.46 0.00 0.12 0.00 0.00 29.99 30.81 3a12 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a12 n ALA 95 N -0.73 2.00 -2.43 1.59 0.00 -0.70 -4.87 120.51 115.37 3a12 n ALA 95 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 3a12 n ALA 95 Cb 0.05 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.96 3a12 n ALA 95 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a12 s PHE 96 N -3.14 2.43 0.31 0.00 0.08 -1.01 -5.11 117.98 111.55 3a12 s PHE 96 Ca 0.09 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 3a12 s PHE 96 Cb 0.12 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 41.12 3a12 s PHE 96 CO 0.47 0.30 1.40 -2.00 -0.10 0.00 0.00 175.22 175.28 3a12 s GLU 97 N -1.80 4.27 0.41 0.44 2.12 -1.26 -4.96 118.70 117.92 3a12 s GLU 97 Ca 0.15 2.33 -0.26 0.00 0.36 0.00 0.00 54.97 57.54 3a12 s GLU 97 Cb -0.10 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 3a12 s GLU 97 CO 0.06 -0.35 1.36 -1.21 -0.54 0.00 0.00 175.26 174.59 3a12 s GLU 98 N -1.32 3.95 -1.35 4.30 2.02 -1.26 -3.48 118.70 121.57 3a12 s GLU 98 Ca 0.54 2.29 -0.02 0.00 0.02 0.00 0.00 54.97 57.80 3a12 s GLU 98 Cb -0.42 -2.79 -0.00 0.00 0.10 0.00 0.00 34.13 31.02 3a12 s GLU 98 CO 0.51 -0.56 0.54 0.00 0.02 0.00 0.00 175.26 175.78 3a12 n ALA 99 N 0.16 -2.07 -3.37 5.21 0.00 -1.26 -4.93 120.51 114.24 3a12 n ALA 99 Ca 0.03 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 3a12 n ALA 99 Cb 0.42 -1.90 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 3a12 n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a12 n ASN 100 N -2.98 -0.53 -0.17 0.00 2.85 -1.23 -4.99 115.26 108.21 3a12 n ASN 100 Ca -0.29 -2.40 -0.06 0.00 -0.11 0.00 0.00 54.58 51.73 3a12 n ASN 100 Cb 0.67 -0.51 0.04 0.00 1.24 0.00 0.00 39.78 41.23 3a12 n ASN 100 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3a12 h LEU 101 N 5.55 0.49 -0.82 1.20 5.85 -1.91 -2.32 115.31 123.34 3a12 h LEU 101 Ca 0.26 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.06 3a12 h LEU 101 Cb 0.91 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3a12 h LEU 101 CO 0.37 0.34 0.48 -0.65 -0.34 0.00 0.00 178.44 178.64 3a12 h PRO 102 N 0.60 0.82 -0.32 5.25 0.11 -1.94 -0.51 132.00 136.01 3a12 h PRO 102 Ca 0.20 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3a12 h PRO 102 Cb 0.02 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 3a12 h PRO 102 CO -0.09 0.54 0.02 0.78 -0.21 0.00 0.00 178.00 179.04 3a12 h GLY 103 N 0.85 0.52 1.15 -0.55 0.00 -1.89 -1.86 103.07 101.28 3a12 h GLY 103 Ca 0.38 -0.29 -0.21 0.00 0.00 0.00 0.00 47.33 47.21 3a12 h GLY 103 CO -0.21 0.27 -0.70 -2.00 0.00 0.00 0.00 176.54 173.90 3a12 h LEU 104 N 0.47 0.95 -1.23 3.11 6.46 -0.72 -3.01 115.31 121.34 3a12 h LEU 104 Ca 0.11 -0.60 -0.07 0.00 -0.12 0.00 0.00 57.88 57.20 3a12 h LEU 104 Cb 0.28 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3a12 h LEU 104 CO 0.01 1.39 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.96 3a12 h LEU 105 N 0.56 0.29 -2.14 2.25 3.38 -0.95 -1.45 115.31 117.25 3a12 h LEU 105 Ca -0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3a12 h LEU 105 Cb 1.32 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3a12 h LEU 105 CO 0.15 0.49 0.03 0.00 0.09 0.00 0.00 178.44 179.20 3a12 h ALA 106 N 1.54 1.89 0.00 1.53 0.00 -1.21 0.12 119.26 123.13 3a12 h ALA 106 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 106 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a12 h ALA 106 CO 0.03 -0.05 -0.08 0.77 0.00 0.00 0.00 179.25 179.92 3a12 h SER 107 N 0.00 0.00 0.47 0.00 0.02 -1.24 -3.33 113.55 109.46 3a12 h SER 107 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3a12 h SER 107 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3a12 h SER 107 CO -0.00 0.47 -0.36 -0.38 -1.14 0.00 0.00 176.83 175.42 3a12 n ILE 108 N -4.39 0.00 -2.79 3.27 5.41 -0.65 -3.86 119.36 116.36 3a12 n ILE 108 Ca -0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 62.75 63.69 3a12 n ILE 108 Cb 0.04 0.19 0.05 0.00 -0.71 0.00 0.00 39.64 39.21 3a12 n ILE 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a12 n ALA 109 N -1.25 2.69 -2.44 -1.39 0.00 0.41 -5.01 120.51 113.51 3a12 n ALA 109 Ca 0.08 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.73 3a12 n ALA 109 Cb 0.33 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3a12 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 110 N -0.57 1.12 0.32 0.00 0.00 -1.15 -4.78 105.19 100.13 3a12 n GLY 110 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3a12 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3a12 h ASN 111 N 0.00 0.11 -0.19 1.61 2.35 -1.85 -3.16 115.58 114.45 3a12 h ASN 111 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3a12 h ASN 111 Cb 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3a12 h ASN 111 CO 0.00 0.07 0.17 0.16 -1.65 0.00 0.00 177.43 176.18 3a12 h ILE 112 N 0.13 0.63 0.00 2.81 3.07 -1.88 -1.65 117.51 120.61 3a12 h ILE 112 Ca 0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.56 3a12 h ILE 112 Cb 0.45 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 3a12 h ILE 112 CO -0.02 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.82 3a12 h PHE 113 N 0.00 0.00 -0.17 0.16 0.04 -1.91 -3.03 116.94 112.03 3a12 h PHE 113 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3a12 h PHE 113 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3a12 h PHE 113 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3a12 n GLY 114 N -0.55 1.04 3.72 -1.45 0.00 -0.62 -4.83 105.19 102.49 3a12 n GLY 114 Ca -0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3a12 n GLY 114 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a12 s MET 115 N -1.45 4.22 0.47 1.61 -1.94 -1.15 -4.89 119.30 116.18 3a12 s MET 115 Ca 0.27 2.35 0.15 0.00 -1.71 0.00 0.00 55.69 56.74 3a12 s MET 115 Cb 0.17 -3.20 1.12 0.00 2.01 0.00 0.00 34.83 34.94 3a12 s MET 115 CO 0.25 -0.61 2.06 0.87 -0.01 0.00 0.00 175.02 177.58 3a12 h LYS 116 N 6.95 0.24 0.00 2.03 1.57 -1.94 -2.25 116.57 123.16 3a12 h LYS 116 Ca -0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3a12 h LYS 116 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3a12 h LYS 116 CO 0.91 0.16 0.00 -0.09 -0.57 0.00 0.00 179.45 179.86 3a12 h ARG 117 N 0.25 0.00 -6.13 3.15 2.43 -1.98 -3.41 114.38 108.69 3a12 h ARG 117 Ca 0.15 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.63 3a12 h ARG 117 Cb 0.28 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 29.58 3a12 h ARG 117 CO -0.03 0.00 -0.78 0.54 -1.51 0.00 0.00 179.97 178.19 3a12 s VAL 118 N -3.74 2.94 -0.22 0.20 0.11 -0.85 -0.96 120.40 117.88 3a12 s VAL 118 Ca -0.01 -0.75 0.22 0.00 -2.93 0.00 0.00 61.98 58.50 3a12 s VAL 118 Cb 0.10 -2.16 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 3a12 s VAL 118 CO 0.37 0.58 1.02 0.50 -3.33 0.00 0.00 175.10 174.24 3a12 h LYS 119 N 5.65 0.00 -1.81 1.54 3.64 0.33 -3.43 116.57 122.49 3a12 h LYS 119 Ca -0.41 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.97 3a12 h LYS 119 Cb 1.16 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.75 3a12 h LYS 119 CO 0.51 0.05 0.28 0.20 -2.27 0.00 0.00 179.45 178.22 3a12 s GLY 120 N -4.43 -0.36 -0.11 5.01 0.00 -1.04 -4.99 107.32 101.40 3a12 s GLY 120 Ca -0.01 2.33 -0.04 0.00 0.00 0.00 0.00 44.72 47.00 3a12 s GLY 120 CO 0.79 1.78 0.10 -2.27 0.00 0.00 0.00 173.10 173.50 3a12 s LEU 121 N 0.29 0.17 -0.17 0.66 2.96 -0.99 -1.29 118.68 120.30 3a12 s LEU 121 Ca 0.01 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3a12 s LEU 121 Cb -0.05 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.57 3a12 s LEU 121 CO -0.02 -0.30 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.93 3a12 s ARG 122 N 2.19 3.08 -0.35 1.98 3.52 -0.78 -1.47 118.95 127.12 3a12 s ARG 122 Ca 0.04 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.55 3a12 s ARG 122 Cb -0.14 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 3a12 s ARG 122 CO -0.07 -0.11 1.28 -1.17 -0.81 0.00 0.00 175.30 174.43 3a12 s LEU 123 N 1.08 3.79 -0.12 -0.88 2.96 -0.37 -0.11 118.68 125.03 3a12 s LEU 123 Ca -0.00 1.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.98 3a12 s LEU 123 Cb -0.14 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 3a12 s LEU 123 CO -0.06 -1.16 0.36 -0.62 -1.32 0.00 0.00 176.35 173.54 3a12 n GLU 124 N 7.51 0.68 -3.52 1.98 -0.58 0.18 -0.95 120.64 125.94 3a12 n GLU 124 Ca 0.14 0.21 -0.11 0.00 -0.42 0.00 0.00 57.16 56.98 3a12 n GLU 124 Cb 0.47 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 3a12 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a12 s ASP 125 N -6.30 -0.42 -0.18 1.62 -1.08 -1.15 -4.40 116.67 104.75 3a12 s ASP 125 Ca -0.15 -0.12 -0.05 0.00 -0.52 0.00 0.00 52.55 51.72 3a12 s ASP 125 Cb 0.07 0.54 0.06 0.00 -1.46 0.00 0.00 42.92 42.14 3a12 s ASP 125 CO 0.78 -0.91 0.09 -0.22 0.52 0.00 0.00 175.17 175.43 3a12 s LEU 126 N -2.73 0.42 -0.13 -1.34 2.96 -1.26 -1.20 118.68 115.40 3a12 s LEU 126 Ca 0.01 -0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 3a12 s LEU 126 Cb 0.00 -0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.38 3a12 s LEU 126 CO -0.12 -0.36 0.50 -0.47 -1.32 0.00 0.00 176.35 174.59 3a12 s TYR 127 N 2.12 3.49 -0.15 5.38 5.04 0.90 -4.95 117.35 129.17 3a12 s TYR 127 Ca 0.02 0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 55.53 3a12 s TYR 127 Cb -0.16 -2.60 -0.02 0.00 0.35 0.00 0.00 41.96 39.53 3a12 s TYR 127 CO -0.11 0.10 -0.08 -0.06 -1.34 0.00 0.00 175.55 174.06 3a12 s PHE 128 N 0.87 2.92 0.85 4.97 0.08 -1.26 -2.23 117.98 124.18 3a12 s PHE 128 Ca 0.26 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 3a12 s PHE 128 Cb -0.15 -1.92 0.10 0.00 -0.57 0.00 0.00 43.02 40.48 3a12 s PHE 128 CO 0.11 -0.15 1.11 -1.25 -0.10 0.00 0.00 175.22 174.93 3a12 s PRO 129 N 0.43 1.63 0.44 0.24 0.04 -1.26 -4.73 135.00 131.79 3a12 s PRO 129 Ca -0.07 1.23 0.24 0.00 0.04 0.00 0.00 61.00 62.44 3a12 s PRO 129 Cb -0.15 -1.82 1.24 0.00 0.04 0.00 0.00 34.50 33.81 3a12 s PRO 129 CO 0.04 -2.10 1.78 1.49 0.04 0.00 0.00 177.00 178.24 3a12 h GLU 130 N -1.47 0.26 -0.62 4.56 4.81 -1.82 -0.74 114.58 119.56 3a12 h GLU 130 Ca -0.45 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3a12 h GLU 130 Cb 1.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3a12 h GLU 130 CO 0.49 0.17 0.41 -0.22 -0.73 0.00 0.00 179.01 179.13 3a12 h LYS 131 N 0.27 0.82 -0.20 1.92 3.64 -1.91 -0.95 116.57 120.15 3a12 h LYS 131 Ca 0.59 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.73 3a12 h LYS 131 Cb 1.75 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.40 3a12 h LYS 131 CO -0.22 0.54 -0.62 -0.07 -2.27 0.00 0.00 179.45 176.81 3a12 h LEU 132 N 0.84 0.89 -0.59 5.20 4.07 -1.52 -3.19 115.31 121.02 3a12 h LEU 132 Ca 0.23 -0.59 0.10 0.00 0.08 0.00 0.00 57.88 57.70 3a12 h LEU 132 Cb -0.10 -0.26 -0.08 0.00 1.08 0.00 0.00 40.66 41.31 3a12 h LEU 132 CO -0.05 1.32 0.16 0.40 -1.08 0.00 0.00 178.44 179.19 3a12 h ILE 133 N 0.50 0.70 0.00 1.22 1.08 -0.99 -0.12 117.51 119.91 3a12 h ILE 133 Ca -0.02 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3a12 h ILE 133 Cb 1.24 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 3a12 h ILE 133 CO 0.13 0.06 0.00 0.54 -0.69 0.00 0.00 178.15 178.19 3a12 n ARG 134 N -5.08 0.32 0.00 2.37 1.74 -0.39 -1.89 116.66 113.73 3a12 n ARG 134 Ca 0.08 0.09 0.14 0.00 -0.77 0.00 0.00 57.85 57.40 3a12 n ARG 134 Cb 0.29 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 30.80 3a12 n ARG 134 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a12 n GLU 135 N -1.19 1.05 -4.26 5.56 1.02 -0.06 -4.86 120.64 117.90 3a12 n GLU 135 Ca 0.09 -0.48 -0.24 0.00 -0.02 0.00 0.00 57.16 56.50 3a12 n GLU 135 Cb 0.10 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 3a12 n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3a12 s PHE 136 N -2.29 2.75 -0.13 -0.32 0.08 -0.79 -4.87 117.98 112.42 3a12 s PHE 136 Ca 0.33 -0.19 0.19 0.00 0.12 0.00 0.00 56.93 57.37 3a12 s PHE 136 Cb 0.20 -1.26 -0.26 0.00 -0.57 0.00 0.00 43.02 41.13 3a12 s PHE 136 CO 0.43 0.57 0.35 -0.25 -0.10 0.00 0.00 175.22 176.23 3a12 n ASP 137 N -0.59 0.17 -0.62 1.36 8.00 -1.25 -5.01 116.55 118.61 3a12 n ASP 137 Ca -0.08 0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.56 3a12 n ASP 137 Cb 0.57 1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 42.83 3a12 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a12 n GLY 138 N 1.52 -1.94 3.74 0.44 0.00 -0.24 -4.72 105.19 103.99 3a12 n GLY 138 Ca -0.19 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3a12 n GLY 138 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a12 n PRO 139 N -2.07 2.47 0.08 1.61 -0.02 -1.24 -4.26 135.00 131.58 3a12 n PRO 139 Ca 0.00 0.87 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 3a12 n PRO 139 Cb 0.22 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.05 3a12 n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a12 h ALA 140 N 3.23 0.32 0.00 3.55 0.00 -1.88 -3.41 119.26 121.07 3a12 h ALA 140 Ca -0.48 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.47 3a12 h ALA 140 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3a12 h ALA 140 CO 0.67 1.07 -1.18 1.19 0.00 0.00 0.00 179.25 181.00 3a12 n PHE 141 N -3.49 0.00 -2.70 0.00 3.72 -1.26 -4.94 117.46 108.79 3a12 n PHE 141 Ca -0.04 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.41 3a12 n PHE 141 Cb 0.93 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 3a12 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a12 n GLY 142 N 1.84 -1.78 0.19 1.37 0.00 -1.26 -1.18 105.19 104.37 3a12 n GLY 142 Ca -0.20 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 3a12 n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a12 h ILE 143 N -0.34 0.56 -0.45 -0.61 2.04 -1.44 -1.11 117.51 116.17 3a12 h ILE 143 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3a12 h ILE 143 Cb 0.33 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3a12 h ILE 143 CO 0.00 0.00 0.24 -0.33 0.00 0.00 0.00 178.15 178.07 3a12 h GLU 144 N -0.05 0.63 -0.65 2.37 5.08 -1.85 0.56 114.58 120.66 3a12 h GLU 144 Ca 0.18 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3a12 h GLU 144 Cb 0.32 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3a12 h GLU 144 CO -0.40 0.51 0.23 0.78 -1.00 0.00 0.00 179.01 179.14 3a12 h GLY 145 N 0.59 1.03 0.45 -3.84 0.00 -0.86 -1.15 103.07 99.29 3a12 h GLY 145 Ca 0.16 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3a12 h GLY 145 CO -0.02 0.53 -0.08 -2.08 0.00 0.00 0.00 176.54 174.88 3a12 h VAL 146 N 0.94 1.49 -0.84 4.60 2.07 -0.90 -1.78 116.25 121.83 3a12 h VAL 146 Ca 0.22 -1.56 0.13 0.00 0.82 0.00 0.00 66.70 66.30 3a12 h VAL 146 Cb 0.22 2.47 -0.09 0.00 -1.52 0.00 0.00 31.29 32.37 3a12 h VAL 146 CO -0.01 0.42 0.45 0.03 0.02 0.00 0.00 177.57 178.47 3a12 h ARG 147 N -0.50 0.67 -0.56 1.57 3.08 -0.80 -0.78 114.38 117.06 3a12 h ARG 147 Ca -0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3a12 h ARG 147 Cb 0.72 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3a12 h ARG 147 CO 0.02 0.44 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.07 3a12 h LYS 148 N 0.69 1.03 -0.68 0.04 3.64 -1.23 0.48 116.57 120.53 3a12 h LYS 148 Ca 0.44 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3a12 h LYS 148 Cb 0.54 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3a12 h LYS 148 CO -0.32 1.05 0.11 1.98 -2.27 0.00 0.00 179.45 180.00 3a12 h MET 149 N 0.91 1.13 -0.01 1.90 4.05 -0.53 -2.83 114.93 119.55 3a12 h MET 149 Ca 0.15 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 3a12 h MET 149 Cb 0.63 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3a12 h MET 149 CO 0.04 1.03 -0.31 1.28 0.23 0.00 0.00 176.91 179.18 3a12 n LEU 150 N -4.21 1.14 -3.68 3.39 4.77 -0.37 -4.90 117.00 113.15 3a12 n LEU 150 Ca 0.04 -0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.48 3a12 n LEU 150 Cb 0.30 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3a12 n LEU 150 CO 0.43 0.22 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.02 3a12 n GLU 151 N -0.61 -4.47 -3.92 3.23 1.02 0.15 -4.37 120.64 111.67 3a12 n GLU 151 Ca 0.11 0.62 -0.30 0.00 -0.02 0.00 0.00 57.16 57.57 3a12 n GLU 151 Cb 0.36 -5.12 -0.16 0.00 -0.02 0.00 0.00 31.44 26.51 3a12 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a12 s ILE 152 N -3.64 1.48 0.05 -3.67 1.01 -0.41 -4.99 121.20 111.03 3a12 s ILE 152 Ca 0.06 -1.25 -0.14 0.00 0.00 0.00 0.00 60.65 59.32 3a12 s ILE 152 Cb -0.02 -1.79 -0.31 0.00 0.01 0.00 0.00 42.46 40.36 3a12 s ILE 152 CO 0.81 -0.15 1.08 0.11 0.00 0.00 0.00 174.94 176.79 3a12 h LYS 153 N 7.96 0.58 0.00 2.79 6.56 -1.94 -3.43 116.57 129.09 3a12 h LYS 153 Ca -0.17 -0.83 0.00 0.00 -1.06 0.00 0.00 60.65 58.59 3a12 h LYS 153 Cb 1.07 0.29 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 3a12 h LYS 153 CO 0.42 1.38 -0.34 -0.25 -2.06 0.00 0.00 179.45 178.60 3a12 n ASP 154 N -3.75 0.74 -4.79 0.86 8.00 -1.26 -5.09 116.55 111.25 3a12 n ASP 154 Ca -0.14 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.04 3a12 n ASP 154 Cb 1.02 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 42.18 3a12 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a12 s ARG 155 N -1.63 2.67 0.83 -1.24 1.70 -1.26 -4.65 118.95 115.36 3a12 s ARG 155 Ca 0.00 1.13 -0.13 0.00 -0.47 0.00 0.00 55.73 56.26 3a12 s ARG 155 Cb 0.00 -1.95 0.08 0.00 -0.57 0.00 0.00 34.95 32.51 3a12 s ARG 155 CO 0.00 -1.32 1.09 -0.35 -1.08 0.00 0.00 175.30 173.64 3a12 n PRO 156 N -3.09 0.08 -3.33 3.89 -0.04 -1.18 -4.91 135.00 126.41 3a12 n PRO 156 Ca 0.09 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.27 3a12 n PRO 156 Cb 0.53 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 3a12 n PRO 156 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3a12 s ILE 157 N -2.19 4.81 -0.04 0.52 1.01 -0.97 -4.94 121.20 119.40 3a12 s ILE 157 Ca 0.71 1.09 0.04 0.00 0.00 0.00 0.00 60.65 62.49 3a12 s ILE 157 Cb -0.28 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 3a12 s ILE 157 CO 0.53 0.52 -0.17 -0.47 0.00 0.00 0.00 174.94 175.36 3a12 s TYR 158 N -1.15 1.68 0.27 3.97 5.04 -1.26 0.22 117.35 126.12 3a12 s TYR 158 Ca 0.29 -0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 54.29 3a12 s TYR 158 Cb -0.18 -1.13 0.01 0.00 0.35 0.00 0.00 41.96 41.00 3a12 s TYR 158 CO 0.18 -0.17 0.56 0.20 -1.34 0.00 0.00 175.55 174.98 3a12 s GLY 159 N 0.06 0.44 -0.04 8.97 0.00 -0.77 0.63 107.32 116.62 3a12 s GLY 159 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3a12 s GLY 159 CO 0.02 -0.50 -0.07 0.14 0.00 0.00 0.00 173.10 172.70 3a12 s VAL 160 N -3.80 0.64 -0.21 1.40 1.01 -0.71 -1.86 120.40 116.87 3a12 s VAL 160 Ca 0.20 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3a12 s VAL 160 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3a12 s VAL 160 CO 0.10 0.23 0.36 -0.69 0.00 0.00 0.00 175.10 175.09 3a12 s VAL 161 N 0.55 5.23 0.36 2.92 1.01 -1.26 -4.48 120.40 124.72 3a12 s VAL 161 Ca -0.08 0.62 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 3a12 s VAL 161 Cb -0.11 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 3a12 s VAL 161 CO 0.01 0.27 1.52 -2.84 0.00 0.00 0.00 175.10 174.05 3a12 s PRO 162 N 1.28 4.10 -0.03 2.72 0.02 -1.26 -4.50 135.00 137.33 3a12 s PRO 162 Ca 0.17 2.59 0.05 0.00 0.02 0.00 0.00 61.00 63.83 3a12 s PRO 162 Cb -0.15 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 3a12 s PRO 162 CO 0.07 -0.57 -0.18 0.15 -0.33 0.00 0.00 177.00 176.15 3a12 s LYS 163 N -1.77 1.60 0.74 5.54 -0.14 -1.26 -3.98 119.74 120.46 3a12 s LYS 163 Ca 0.55 -0.63 -0.15 0.00 -1.36 0.00 0.00 55.97 54.38 3a12 s LYS 163 Cb -0.47 -1.47 0.04 0.00 -1.68 0.00 0.00 37.83 34.25 3a12 s LYS 163 CO 0.60 0.32 1.23 -1.25 -0.76 0.00 0.00 175.35 175.50 3a12 s PRO 164 N -0.22 2.05 0.20 -1.68 0.04 -1.26 -5.03 135.00 129.09 3a12 s PRO 164 Ca 0.02 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3a12 s PRO 164 Cb -0.09 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 32.86 3a12 s PRO 164 CO 0.01 -1.93 1.77 0.87 0.04 0.00 0.00 177.00 177.76 3a12 h LYS 165 N -0.31 0.49 -4.42 4.56 1.57 -1.97 -3.43 116.57 113.06 3a12 h LYS 165 Ca -0.48 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.09 3a12 h LYS 165 Cb 1.31 -0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 3a12 h LYS 165 CO 0.49 0.32 -0.67 0.14 -0.57 0.00 0.00 179.45 179.17 3a12 s VAL 166 N -6.11 0.27 0.00 0.50 -7.23 -1.26 -4.65 120.40 101.92 3a12 s VAL 166 Ca -0.13 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3a12 s VAL 166 Cb 0.16 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3a12 s VAL 166 CO 0.74 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 3a12 n GLY 167 N -0.03 0.96 3.73 2.32 0.00 -1.26 -5.11 105.19 105.79 3a12 n GLY 167 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3a12 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a12 s TYR 168 N -2.00 3.01 0.49 1.61 -0.85 -1.26 -5.11 117.35 113.24 3a12 s TYR 168 Ca 0.00 -0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.50 3a12 s TYR 168 Cb 0.00 -1.47 0.01 0.00 0.38 0.00 0.00 41.96 40.88 3a12 s TYR 168 CO 0.00 0.51 0.70 -1.54 -1.52 0.00 0.00 175.55 173.71 3a12 s SER 169 N -2.87 5.60 0.36 -0.18 1.04 -1.26 -4.60 113.70 111.79 3a12 s SER 169 Ca 0.29 0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.94 3a12 s SER 169 Cb -0.10 -1.23 0.70 0.00 0.10 0.00 0.00 66.02 65.49 3a12 s SER 169 CO 0.21 -0.88 1.86 -0.65 0.98 0.00 0.00 173.24 174.76 3a12 h PRO 170 N 0.28 0.24 -0.18 4.02 0.11 -1.96 0.88 132.00 135.40 3a12 h PRO 170 Ca -0.44 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3a12 h PRO 170 Cb 1.27 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a12 h PRO 170 CO 0.55 0.44 -0.10 0.93 -0.21 0.00 0.00 178.00 179.60 3a12 h GLU 171 N 0.22 0.38 -0.31 1.05 3.07 -1.94 0.18 114.58 117.23 3a12 h GLU 171 Ca 0.04 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 3a12 h GLU 171 Cb 0.48 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 3a12 h GLU 171 CO 0.03 0.70 0.15 0.93 -1.40 0.00 0.00 179.01 179.42 3a12 h GLU 172 N 0.05 0.31 -0.75 2.33 5.08 -1.92 -2.75 114.58 116.93 3a12 h GLU 172 Ca 0.04 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3a12 h GLU 172 Cb 0.60 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 3a12 h GLU 172 CO 0.03 0.20 0.35 0.35 -1.00 0.00 0.00 179.01 178.94 3a12 h PHE 173 N 0.32 0.62 -0.44 4.33 3.57 -0.68 -2.98 116.94 121.67 3a12 h PHE 173 Ca 0.13 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.75 3a12 h PHE 173 Cb 0.05 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.54 3a12 h PHE 173 CO -0.10 0.17 -0.12 1.49 -2.23 0.00 0.00 178.31 177.52 3a12 h GLU 174 N 0.56 -0.02 -0.39 1.11 4.81 -0.33 0.54 114.58 120.86 3a12 h GLU 174 Ca 0.39 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.46 3a12 h GLU 174 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3a12 h GLU 174 CO -0.33 -0.01 -0.36 -0.22 -0.73 0.00 0.00 179.01 177.36 3a12 h LYS 175 N -0.02 0.93 -0.21 1.92 3.64 -1.56 -2.28 116.57 119.00 3a12 h LYS 175 Ca 0.21 -0.48 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3a12 h LYS 175 Cb 0.34 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3a12 h LYS 175 CO -0.47 1.13 0.12 1.25 -2.27 0.00 0.00 179.45 179.21 3a12 h LEU 176 N 0.77 0.19 -0.45 5.20 5.85 -1.29 -1.93 115.31 123.66 3a12 h LEU 176 Ca 0.07 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3a12 h LEU 176 Cb 0.95 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3a12 h LEU 176 CO 0.09 0.14 0.26 0.00 -0.34 0.00 0.00 178.44 178.59 3a12 h ALA 177 N 1.09 0.57 -0.35 1.25 0.00 -0.86 -0.73 119.26 120.23 3a12 h ALA 177 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 177 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3a12 h ALA 177 CO -0.04 -0.06 0.20 -0.92 0.00 0.00 0.00 179.25 178.43 3a12 h TYR 178 N 0.52 0.38 -0.13 0.00 3.20 -1.24 -0.55 116.97 119.16 3a12 h TYR 178 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3a12 h TYR 178 Cb 0.02 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3a12 h TYR 178 CO -0.07 0.23 0.04 -0.44 -1.64 0.00 0.00 178.16 176.28 3a12 h ASP 179 N 0.42 0.18 0.53 -2.11 3.32 -1.12 -1.00 116.42 116.64 3a12 h ASP 179 Ca 0.14 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3a12 h ASP 179 Cb -0.00 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.51 3a12 h ASP 179 CO -0.06 0.32 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.46 3a12 h LEU 180 N 0.03 -0.60 -1.70 1.55 3.38 -0.95 -1.99 115.31 115.03 3a12 h LEU 180 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3a12 h LEU 180 Cb 0.20 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3a12 h LEU 180 CO -0.00 -0.41 -0.13 -0.07 0.09 0.00 0.00 178.44 177.92 3a12 h LEU 181 N -0.74 0.02 -1.13 1.67 3.38 -1.16 -1.67 115.31 115.68 3a12 h LEU 181 Ca -0.07 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3a12 h LEU 181 Cb 0.56 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3a12 h LEU 181 CO 0.12 0.16 -0.33 0.28 0.09 0.00 0.00 178.44 178.76 3a12 h SER 182 N 0.02 0.00 -0.54 -0.43 0.02 -0.87 -3.28 113.55 108.47 3a12 h SER 182 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 3a12 h SER 182 Cb 0.25 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.64 3a12 h SER 182 CO 0.02 0.33 0.15 0.59 -1.14 0.00 0.00 176.83 176.77 3a12 n ASN 183 N -3.61 3.15 0.00 3.07 3.02 -0.66 -4.94 115.26 115.28 3a12 n ASN 183 Ca -0.01 -3.61 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 3a12 n ASN 183 Cb 0.45 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3a12 n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a12 n GLY 184 N -0.98 0.89 3.69 7.41 0.00 -1.17 -3.05 105.19 111.97 3a12 n GLY 184 Ca 0.40 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.97 3a12 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 n ALA 185 N 0.00 1.92 0.11 4.61 0.00 -0.98 -4.90 120.51 121.26 3a12 n ALA 185 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.87 3a12 n ALA 185 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 3a12 n ALA 185 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a12 h ASP 186 N 5.73 0.00 -5.02 0.00 3.32 -0.15 -3.40 116.42 116.89 3a12 h ASP 186 Ca -0.45 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 3a12 h ASP 186 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 3a12 h ASP 186 CO 0.87 0.56 -0.05 -0.72 -1.72 0.00 0.00 179.24 178.19 3a12 s TYR 187 N -2.93 -0.36 0.00 4.55 -0.85 -1.17 -2.05 117.35 114.55 3a12 s TYR 187 Ca 0.02 0.45 0.00 0.00 -0.52 0.00 0.00 57.07 57.03 3a12 s TYR 187 Cb 0.08 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.68 3a12 s TYR 187 CO 0.77 -0.56 0.00 -1.33 -1.52 0.00 0.00 175.55 172.91 3a12 n MET 188 N 0.70 1.46 -5.19 -3.49 2.81 -0.96 -1.74 117.12 110.72 3a12 n MET 188 Ca -0.19 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.38 3a12 n MET 188 Cb 0.59 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.94 3a12 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a12 s ASP 190 N -1.00 3.24 0.84 7.83 1.01 -0.65 -0.26 116.67 127.68 3a12 s ASP 190 Ca 0.00 -0.46 -0.13 0.00 0.71 0.00 0.00 52.55 52.67 3a12 s ASP 190 Cb 0.00 -0.85 0.09 0.00 1.01 0.00 0.00 42.92 43.17 3a12 s ASP 190 CO 0.00 0.26 1.11 -0.67 0.21 0.00 0.00 175.17 176.08 3a12 n ASP 191 N 2.86 0.59 0.25 0.27 -0.08 -1.26 -4.82 116.55 114.36 3a12 n ASP 191 Ca -0.17 0.54 0.12 0.00 -1.51 0.00 0.00 54.79 53.77 3a12 n ASP 191 Cb 0.52 -1.47 0.60 0.00 2.34 0.00 0.00 41.12 43.11 3a12 n ASP 191 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3a12 h GLU 192 N -1.12 0.00 -0.06 -0.67 9.09 -2.00 -1.58 114.58 118.24 3a12 h GLU 192 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3a12 h GLU 192 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3a12 h GLU 192 CO 0.44 0.16 0.00 0.27 0.05 0.00 0.00 179.01 179.93 3a12 n ASN 193 N -3.43 2.37 -4.54 3.06 6.94 -1.26 -4.83 115.26 113.57 3a12 n ASN 193 Ca -0.01 -1.79 -0.43 0.00 -0.02 0.00 0.00 54.58 52.34 3a12 n ASN 193 Cb 0.34 -0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.68 3a12 n ASN 193 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3a12 s LEU 194 N -1.93 4.26 0.00 -4.53 0.20 -0.59 -4.94 118.68 111.14 3a12 s LEU 194 Ca 0.33 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.00 3a12 s LEU 194 Cb 0.20 -2.94 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 3a12 s LEU 194 CO 0.31 -0.93 0.00 0.35 -0.29 0.00 0.00 176.35 175.79 3a12 n THR 195 N 6.13 0.00 -2.87 3.68 -2.24 -1.26 -4.69 114.28 113.03 3a12 n THR 195 Ca 0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 3a12 n THR 195 Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3a12 n THR 195 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a12 n SER 196 N 0.00 2.46 -4.85 3.42 2.88 -1.26 -4.15 113.62 112.12 3a12 n SER 196 Ca 0.00 -3.20 -0.29 0.00 -1.33 0.00 0.00 58.87 54.05 3a12 n SER 196 Cb 0.00 -0.55 0.09 0.00 -0.75 0.00 0.00 64.21 63.00 3a12 n SER 196 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3a12 s PRO 197 N -3.04 1.91 0.31 -1.46 0.04 -1.22 -4.71 135.00 126.83 3a12 s PRO 197 Ca 0.40 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.79 3a12 s PRO 197 Cb 0.37 -1.93 0.73 0.00 0.04 0.00 0.00 34.50 33.71 3a12 s PRO 197 CO -0.08 -1.67 1.80 0.11 0.04 0.00 0.00 177.00 177.20 3a12 h TRP 198 N -1.11 1.05 -0.00 0.56 5.08 -2.01 -1.27 115.95 118.24 3a12 h TRP 198 Ca -0.47 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.53 3a12 h TRP 198 Cb 1.31 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 3a12 h TRP 198 CO 0.36 0.28 -0.01 2.48 -1.28 0.00 0.00 178.44 180.27 3a12 n TYR 199 N -4.71 0.00 -2.88 0.12 0.18 -1.26 -4.47 117.16 104.14 3a12 n TYR 199 Ca 0.22 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.98 3a12 n TYR 199 Cb 0.53 -0.21 0.01 0.00 -0.38 0.00 0.00 39.34 39.29 3a12 n TYR 199 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3a12 s ASN 200 N -2.43 -1.18 0.24 9.48 3.84 -0.49 -4.12 114.94 120.29 3a12 s ASN 200 Ca 0.33 -1.07 -0.30 0.00 0.21 0.00 0.00 52.86 52.03 3a12 s ASN 200 Cb 0.21 1.53 -0.09 0.00 -0.55 0.00 0.00 41.25 42.35 3a12 s ASN 200 CO 0.44 -0.08 1.11 -0.13 -2.79 0.00 0.00 177.10 175.65 3a12 s ARG 201 N 1.29 4.61 0.18 0.43 1.81 -1.18 -3.38 118.95 122.73 3a12 s ARG 201 Ca 0.23 1.79 -0.14 0.00 -1.72 0.00 0.00 55.73 55.89 3a12 s ARG 201 Cb 0.01 -3.22 0.18 0.00 -0.45 0.00 0.00 34.95 31.47 3a12 s ARG 201 CO -0.08 0.14 1.68 0.35 -0.68 0.00 0.00 175.30 176.72 3a12 h PHE 202 N 4.32 -0.05 0.00 -0.53 3.57 -1.85 -1.84 116.94 120.56 3a12 h PHE 202 Ca -0.46 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 3a12 h PHE 202 Cb 1.21 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 3a12 h PHE 202 CO 0.60 -0.12 -0.29 1.05 -2.23 0.00 0.00 178.31 177.32 3a12 h GLU 203 N 0.10 0.00 -0.02 1.11 9.09 -1.95 -1.00 114.58 121.91 3a12 h GLU 203 Ca 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.62 3a12 h GLU 203 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3a12 h GLU 203 CO -0.41 0.29 -0.13 0.93 0.05 0.00 0.00 179.01 179.74 3a12 h GLU 204 N 0.00 0.13 0.00 1.06 5.08 -1.75 -1.68 114.58 117.42 3a12 h GLU 204 Ca -0.00 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3a12 h GLU 204 Cb 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3a12 h GLU 204 CO 0.04 0.77 -0.27 0.07 -1.00 0.00 0.00 179.01 178.63 3a12 h ARG 205 N -0.48 0.00 -0.28 2.33 0.11 -1.27 -2.29 114.38 112.50 3a12 h ARG 205 Ca -0.01 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 3a12 h ARG 205 Cb 0.80 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.87 3a12 h ARG 205 CO 0.03 0.27 -0.05 0.00 0.10 0.00 0.00 179.97 180.31 3a12 h ALA 206 N 1.73 0.38 -0.97 0.08 0.00 -1.16 0.72 119.26 120.04 3a12 h ALA 206 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a12 h ALA 206 Cb 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3a12 h ALA 206 CO 0.03 0.18 0.61 0.93 0.00 0.00 0.00 179.25 181.01 3a12 h GLU 207 N 0.28 1.30 -0.31 0.00 4.39 -1.11 -1.02 114.58 118.12 3a12 h GLU 207 Ca 0.07 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3a12 h GLU 207 Cb 0.52 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3a12 h GLU 207 CO 0.02 0.89 0.04 0.82 -1.16 0.00 0.00 179.01 179.62 3a12 h ILE 208 N 1.33 1.24 -0.15 3.13 2.04 -1.30 -2.72 117.51 121.09 3a12 h ILE 208 Ca 0.35 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 3a12 h ILE 208 Cb -0.10 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3a12 h ILE 208 CO -0.07 0.28 -0.32 0.24 0.00 0.00 0.00 178.15 178.27 3a12 h MET 209 N 0.33 0.29 -0.52 2.37 2.86 -0.64 0.12 114.93 119.74 3a12 h MET 209 Ca 0.09 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3a12 h MET 209 Cb 0.37 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3a12 h MET 209 CO 0.01 0.59 0.27 0.00 1.06 0.00 0.00 176.91 178.83 3a12 h ALA 210 N 1.41 0.66 -0.19 6.32 0.00 -1.11 0.17 119.26 126.52 3a12 h ALA 210 Ca 0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3a12 h ALA 210 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a12 h ALA 210 CO 0.05 0.20 -0.57 1.57 0.00 0.00 0.00 179.25 180.50 3a12 h LYS 211 N 0.69 0.73 -0.43 0.00 2.10 -1.15 -2.58 116.57 115.92 3a12 h LYS 211 Ca 0.18 -0.53 -0.02 0.00 -2.00 0.00 0.00 60.65 58.28 3a12 h LYS 211 Cb 0.08 0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 3a12 h LYS 211 CO -0.03 1.15 0.20 0.82 -2.00 0.00 0.00 179.45 179.59 3a12 h ILE 212 N 0.44 1.19 -0.66 0.07 1.08 -0.64 -1.18 117.51 117.80 3a12 h ILE 212 Ca -0.02 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 3a12 h ILE 212 Cb 1.19 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 3a12 h ILE 212 CO 0.12 0.20 0.33 0.40 -0.69 0.00 0.00 178.15 178.52 3a12 h ILE 213 N 0.56 1.22 -0.52 -0.67 2.04 -0.67 -0.04 117.51 119.43 3a12 h ILE 213 Ca 0.15 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 3a12 h ILE 213 Cb 0.14 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3a12 h ILE 213 CO -0.02 0.25 0.03 0.44 0.00 0.00 0.00 178.15 178.85 3a12 h ASP 214 N 0.92 0.82 -0.02 1.72 3.32 -1.34 -0.77 116.42 121.06 3a12 h ASP 214 Ca 0.23 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3a12 h ASP 214 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3a12 h ASP 214 CO -0.03 0.87 -0.01 0.50 -1.72 0.00 0.00 179.24 178.84 3a12 h LYS 215 N 0.80 0.04 -0.48 3.56 3.64 -0.78 -2.90 116.57 120.44 3a12 h LYS 215 Ca 0.16 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3a12 h LYS 215 Cb 0.44 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3a12 h LYS 215 CO 0.02 0.48 0.13 0.28 -2.27 0.00 0.00 179.45 178.08 3a12 h VAL 216 N -0.39 1.23 -0.47 2.00 2.07 -0.99 -1.79 116.25 117.91 3a12 h VAL 216 Ca 0.00 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.74 3a12 h VAL 216 Cb 0.47 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3a12 h VAL 216 CO 0.00 0.29 0.27 -0.33 0.02 0.00 0.00 177.57 177.82 3a12 h GLU 217 N 0.65 0.52 0.00 1.57 5.08 -1.18 0.58 114.58 121.81 3a12 h GLU 217 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3a12 h GLU 217 Cb 0.31 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3a12 h GLU 217 CO -0.00 0.35 -0.34 0.27 -1.00 0.00 0.00 179.01 178.29 3a12 n ASN 218 N -4.84 0.43 0.12 1.42 0.23 -1.10 0.13 115.26 111.66 3a12 n ASN 218 Ca 0.03 0.12 0.03 0.00 -0.53 0.00 0.00 54.58 54.23 3a12 n ASN 218 Cb 0.08 -0.08 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 3a12 n ASN 218 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3a12 h GLU 219 N 0.00 0.00 0.00 -3.83 5.08 -0.92 -3.40 114.58 111.51 3a12 h GLU 219 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a12 h GLU 219 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3a12 h GLU 219 CO 0.00 0.43 -1.13 2.41 -1.00 0.00 0.00 179.01 179.71 3a12 n THR 220 N -3.14 0.02 -0.83 1.13 -1.04 0.16 -5.00 114.28 105.58 3a12 n THR 220 Ca -0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3a12 n THR 220 Cb 0.74 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.55 3a12 n THR 220 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a12 n GLY 221 N 2.39 0.37 3.72 3.41 0.00 0.34 -4.99 105.19 110.43 3a12 n GLY 221 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3a12 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a12 s GLU 222 N -0.74 3.13 0.34 1.61 2.02 -1.22 -5.02 118.70 118.81 3a12 s GLU 222 Ca 0.00 -0.35 -0.28 0.00 0.02 0.00 0.00 54.97 54.36 3a12 s GLU 222 Cb 0.00 -2.90 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 3a12 s GLU 222 CO 0.00 0.69 1.21 0.15 0.02 0.00 0.00 175.26 177.34 3a12 s LYS 223 N -0.84 4.35 0.09 1.61 -0.14 -1.26 -4.23 119.74 119.32 3a12 s LYS 223 Ca 0.13 2.00 0.02 0.00 -1.36 0.00 0.00 55.97 56.76 3a12 s LYS 223 Cb -0.12 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 3a12 s LYS 223 CO 0.03 -0.11 -0.07 0.15 -0.76 0.00 0.00 175.35 174.58 3a12 s LYS 224 N -1.83 0.77 0.25 1.68 -0.14 -1.26 -4.91 119.74 114.30 3a12 s LYS 224 Ca 0.50 -1.22 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 3a12 s LYS 224 Cb -0.35 -0.22 0.00 0.00 -1.68 0.00 0.00 37.83 35.58 3a12 s LYS 224 CO 0.46 -0.00 0.33 -2.37 -0.76 0.00 0.00 175.35 173.01 3a12 n THR 225 N 0.26 0.00 -3.68 2.17 5.66 -0.87 -5.01 114.28 112.81 3a12 n THR 225 Ca -0.14 -1.30 -0.11 0.00 -3.05 0.00 0.00 64.05 59.44 3a12 n THR 225 Cb 0.60 0.78 -0.12 0.00 -1.55 0.00 0.00 70.33 70.04 3a12 n THR 225 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3a12 s TRP 226 N -3.48 -0.55 -0.88 1.09 -0.00 -1.26 -2.25 118.94 111.61 3a12 s TRP 226 Ca 0.21 1.16 -0.20 0.00 -0.00 0.00 0.00 56.10 57.27 3a12 s TRP 226 Cb -0.01 0.14 0.11 0.00 -0.00 0.00 0.00 33.47 33.71 3a12 s TRP 226 CO 0.15 -0.36 1.13 -0.06 -0.00 0.00 0.00 176.95 177.81 3a12 s PHE 227 N 2.04 2.95 -0.21 5.86 0.08 0.64 -4.21 117.98 125.13 3a12 s PHE 227 Ca -0.04 -1.14 -0.21 0.00 0.12 0.00 0.00 56.93 55.66 3a12 s PHE 227 Cb -0.11 -4.34 -0.02 0.00 -0.57 0.00 0.00 43.02 37.98 3a12 s PHE 227 CO -0.11 -1.58 0.65 0.00 -0.10 0.00 0.00 175.22 174.09 3a12 s ALA 228 N 3.27 3.56 -0.67 5.36 0.00 -1.26 -1.64 121.76 130.37 3a12 s ALA 228 Ca 0.32 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 3a12 s ALA 228 Cb -0.07 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.07 3a12 s ALA 228 CO -0.05 -0.63 1.16 1.21 0.00 0.00 0.00 175.76 177.45 3a12 s ASN 229 N 1.25 6.24 0.00 0.00 2.47 -1.26 0.22 114.94 123.86 3a12 s ASN 229 Ca 0.29 -0.44 0.23 0.00 0.42 0.00 0.00 52.86 53.36 3a12 s ASN 229 Cb -0.16 -2.52 0.97 0.00 -1.45 0.00 0.00 41.25 38.10 3a12 s ASN 229 CO 0.10 -1.63 1.67 2.30 -3.72 0.00 0.00 177.10 175.83 3a12 n ILE 230 N 6.32 0.11 -1.69 -5.21 -5.35 -0.76 -4.75 119.36 108.04 3a12 n ILE 230 Ca 0.03 -0.24 -0.54 0.00 -0.27 0.00 0.00 62.75 61.73 3a12 n ILE 230 Cb 0.48 0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.54 3a12 n ILE 230 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3a12 n THR 231 N -0.00 0.31 -3.95 7.28 -1.04 -1.26 -4.33 114.28 111.29 3a12 n THR 231 Ca 0.17 -0.06 0.02 0.00 -2.04 0.00 0.00 64.05 62.14 3a12 n THR 231 Cb 0.27 -1.33 0.01 0.00 -1.82 0.00 0.00 70.33 67.46 3a12 n THR 231 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a12 n ALA 232 N 5.15 -1.89 -1.07 2.41 0.00 -1.26 -4.89 120.51 118.96 3a12 n ALA 232 Ca 0.24 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 3a12 n ALA 232 Cb 0.18 0.06 0.13 0.00 0.00 0.00 0.00 19.45 19.83 3a12 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a12 s ASP 233 N -2.47 3.52 0.16 0.00 1.01 -1.26 -4.68 116.67 112.94 3a12 s ASP 233 Ca 0.16 2.35 -0.27 0.00 0.71 0.00 0.00 52.55 55.50 3a12 s ASP 233 Cb -0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3a12 s ASP 233 CO -0.01 -2.72 1.57 0.25 0.21 0.00 0.00 175.17 174.48 3a12 h LEU 234 N -1.00 -1.43 -0.71 1.23 5.85 -1.99 -0.77 115.31 116.49 3a12 h LEU 234 Ca -0.46 0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.54 3a12 h LEU 234 Cb 1.29 0.63 -0.05 0.00 0.37 0.00 0.00 40.66 42.90 3a12 h LEU 234 CO 0.46 -0.36 0.41 -0.07 -0.34 0.00 0.00 178.44 178.53 3a12 h LEU 235 N -0.31 0.63 -0.95 2.25 3.38 -2.00 -0.55 115.31 117.76 3a12 h LEU 235 Ca 0.14 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3a12 h LEU 235 Cb 0.58 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3a12 h LEU 235 CO -0.59 0.41 0.22 -0.33 0.09 0.00 0.00 178.44 178.23 3a12 h GLU 236 N 0.76 0.98 -0.70 1.13 3.07 -1.71 -2.20 114.58 115.91 3a12 h GLU 236 Ca 0.31 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3a12 h GLU 236 Cb 0.16 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3a12 h GLU 236 CO -0.17 0.83 0.42 0.52 -1.40 0.00 0.00 179.01 179.21 3a12 h MET 237 N 0.95 0.96 -0.64 2.33 2.86 0.27 -1.22 114.93 120.45 3a12 h MET 237 Ca 0.22 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3a12 h MET 237 Cb 0.25 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3a12 h MET 237 CO -0.01 0.69 0.38 0.93 1.06 0.00 0.00 176.91 179.96 3a12 h GLU 238 N 0.96 0.87 -0.74 1.72 5.08 -0.90 -0.81 114.58 120.76 3a12 h GLU 238 Ca 0.25 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3a12 h GLU 238 Cb -0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3a12 h GLU 238 CO -0.05 0.63 0.29 1.96 -1.00 0.00 0.00 179.01 180.84 3a12 h GLN 239 N 0.86 1.10 -0.16 2.33 4.20 -1.03 -2.09 115.11 120.33 3a12 h GLN 239 Ca 0.23 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 3a12 h GLN 239 Cb -0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3a12 h GLN 239 CO -0.04 0.90 -0.60 0.00 -0.67 0.00 0.00 178.83 178.42 3a12 h ARG 240 N 1.06 0.52 -0.62 1.46 3.08 -0.81 -1.39 114.38 117.67 3a12 h ARG 240 Ca 0.24 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3a12 h ARG 240 Cb 0.22 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3a12 h ARG 240 CO -0.02 0.97 0.41 -0.07 -1.07 0.00 0.00 179.97 180.19 3a12 h LEU 241 N 0.39 0.71 -0.96 3.04 3.38 -1.07 -2.21 115.31 118.59 3a12 h LEU 241 Ca -0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3a12 h LEU 241 Cb 1.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3a12 h LEU 241 CO 0.11 0.52 -0.03 -0.08 0.09 0.00 0.00 178.44 179.04 3a12 h GLU 242 N 0.84 0.72 -0.72 1.13 4.81 -0.99 -0.56 114.58 119.81 3a12 h GLU 242 Ca 0.23 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3a12 h GLU 242 Cb -0.09 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3a12 h GLU 242 CO -0.05 0.75 0.43 0.28 -0.73 0.00 0.00 179.01 179.70 3a12 h VAL 243 N 0.67 1.21 -0.37 0.32 2.07 -1.09 0.91 116.25 119.95 3a12 h VAL 243 Ca 0.13 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3a12 h VAL 243 Cb 0.46 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3a12 h VAL 243 CO 0.02 0.22 0.15 -0.07 0.02 0.00 0.00 177.57 177.91 3a12 h LEU 244 N 0.99 0.51 -0.40 2.57 3.38 -0.74 -2.42 115.31 119.20 3a12 h LEU 244 Ca 0.26 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3a12 h LEU 244 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3a12 h LEU 244 CO -0.05 0.54 0.03 0.00 0.09 0.00 0.00 178.44 179.04 3a12 h ALA 245 N 1.00 0.54 -0.24 1.53 0.00 -0.82 -1.82 119.26 119.45 3a12 h ALA 245 Ca 0.13 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3a12 h ALA 245 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a12 h ALA 245 CO -0.01 0.29 0.16 -0.44 0.00 0.00 0.00 179.25 179.25 3a12 h ASP 246 N 0.53 0.21 0.33 0.00 3.32 -0.71 -1.65 116.42 118.45 3a12 h ASP 246 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3a12 h ASP 246 Cb 0.43 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3a12 h ASP 246 CO 0.02 0.15 -0.32 0.18 -1.72 0.00 0.00 179.24 177.55 3a12 n LEU 247 N -4.50 0.82 -0.44 1.55 4.77 -0.92 -4.95 117.00 113.33 3a12 n LEU 247 Ca 0.01 -0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 3a12 n LEU 247 Cb 0.13 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3a12 n LEU 247 CO 0.35 0.16 -0.05 0.61 -1.33 0.00 0.00 177.39 177.13 3a12 n GLY 248 N 1.39 0.42 3.88 -0.72 0.00 -0.62 -4.98 105.19 104.56 3a12 n GLY 248 Ca 0.10 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3a12 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 249 N -1.18 2.41 -0.00 0.99 1.43 -0.72 -5.03 118.68 116.58 3a12 s LEU 249 Ca 0.00 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3a12 s LEU 249 Cb 0.00 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3a12 s LEU 249 CO 0.00 -2.22 0.03 0.29 0.23 0.00 0.00 176.35 174.68 3a12 n LYS 250 N -3.51 0.47 -4.26 1.70 5.02 -1.26 -4.74 118.16 111.57 3a12 n LYS 250 Ca 0.09 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.15 3a12 n LYS 250 Cb 0.60 -1.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.49 3a12 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a12 s HIS 251 N -2.03 1.56 -0.07 2.13 3.76 -1.26 -1.02 115.29 118.36 3a12 s HIS 251 Ca -0.00 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3a12 s HIS 251 Cb 0.01 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.85 3a12 s HIS 251 CO 0.06 0.14 -0.10 0.00 -0.85 0.00 0.00 174.74 173.99 3a12 s ALA 252 N -1.18 1.15 -0.12 -1.40 0.00 0.32 -4.18 121.76 116.34 3a12 s ALA 252 Ca 0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 3a12 s ALA 252 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3a12 s ALA 252 CO 0.03 0.03 0.18 1.41 0.00 0.00 0.00 175.76 177.42 3a12 s MET 253 N 0.82 3.63 -0.03 0.00 1.75 0.13 -0.82 119.30 124.79 3a12 s MET 253 Ca -0.12 -0.07 0.01 0.00 -1.25 0.00 0.00 55.69 54.26 3a12 s MET 253 Cb -0.15 -3.23 0.02 0.00 2.84 0.00 0.00 34.83 34.30 3a12 s MET 253 CO 0.02 0.68 -0.03 0.08 -0.65 0.00 0.00 175.02 175.12 3a12 s VAL 254 N -0.79 0.40 -0.90 10.11 1.01 0.26 -1.83 120.40 128.65 3a12 s VAL 254 Ca 0.15 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 3a12 s VAL 254 Cb -0.12 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.86 3a12 s VAL 254 CO 0.04 0.18 1.48 -1.81 0.00 0.00 0.00 175.10 174.99 3a12 s ASP 255 N 0.71 6.17 0.21 3.32 1.01 -1.26 -0.87 116.67 125.96 3a12 s ASP 255 Ca -0.08 -0.96 -0.05 0.00 0.71 0.00 0.00 52.55 52.16 3a12 s ASP 255 Cb -0.12 -2.56 0.16 0.00 1.01 0.00 0.00 42.92 41.41 3a12 s ASP 255 CO -0.00 -1.80 1.63 -0.37 0.21 0.00 0.00 175.17 174.84 3a12 h VAL 256 N 6.64 1.27 -0.38 -1.27 -1.51 -1.31 -0.18 116.25 119.49 3a12 h VAL 256 Ca 0.02 -1.29 -0.14 0.00 -1.23 0.00 0.00 66.70 64.06 3a12 h VAL 256 Cb 1.03 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 3a12 h VAL 256 CO 1.35 0.44 -0.31 0.58 -1.23 0.00 0.00 177.57 178.40 3a12 h VAL 257 N 0.74 1.28 -0.17 7.19 2.07 -1.80 -0.90 116.25 124.65 3a12 h VAL 257 Ca 0.11 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 66.06 3a12 h VAL 257 Cb 0.70 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3a12 h VAL 257 CO 0.05 0.49 -0.28 0.40 0.02 0.00 0.00 177.57 178.25 3a12 h ILE 258 N 0.69 1.35 -0.55 4.57 2.04 -1.69 -3.18 117.51 120.75 3a12 h ILE 258 Ca 0.07 -1.51 0.09 0.00 1.00 0.00 0.00 64.86 64.51 3a12 h ILE 258 Cb 0.89 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.80 3a12 h ILE 258 CO 0.08 0.46 0.14 0.74 0.00 0.00 0.00 178.15 179.57 3a12 h THR 259 N 0.14 0.72 0.00 -0.27 2.02 -0.98 -3.48 112.91 111.06 3a12 h THR 259 Ca 0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3a12 h THR 259 Cb 0.86 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3a12 h THR 259 CO 0.06 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.62 3a12 n GLY 260 N -1.29 -0.31 0.17 2.16 0.00 -0.35 -4.64 105.19 100.93 3a12 n GLY 260 Ca 0.07 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.37 3a12 n GLY 260 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a12 h TRP 261 N 0.00 0.00 -0.73 1.61 4.06 -1.89 -3.10 115.95 115.91 3a12 h TRP 261 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3a12 h TRP 261 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 3a12 h TRP 261 CO 0.00 0.46 0.37 0.78 -3.56 0.00 0.00 178.44 176.49 3a12 h GLY 262 N 2.04 1.09 0.00 1.49 0.00 -1.99 -3.29 103.07 102.40 3a12 h GLY 262 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3a12 h GLY 262 CO 0.06 0.48 -0.57 0.00 0.00 0.00 0.00 176.54 176.52 3a12 n ALA 263 N -2.43 3.01 -0.19 3.60 0.00 -1.24 -4.74 120.51 118.52 3a12 n ALA 263 Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 3a12 n ALA 263 Cb 0.12 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 19.31 3a12 n ALA 263 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a12 h LEU 264 N 0.00 0.54 -0.59 0.00 5.85 -1.61 -0.86 115.31 118.64 3a12 h LEU 264 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3a12 h LEU 264 Cb 0.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3a12 h LEU 264 CO 0.00 0.37 0.18 -0.09 -0.34 0.00 0.00 178.44 178.56 3a12 h ARG 265 N 0.66 0.92 -0.64 1.25 2.43 -1.85 -0.03 114.38 117.11 3a12 h ARG 265 Ca 0.23 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3a12 h ARG 265 Cb 0.05 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 3a12 h ARG 265 CO -0.11 0.83 0.41 -0.92 -1.51 0.00 0.00 179.97 178.66 3a12 h TYR 266 N 0.84 0.76 -0.46 2.20 3.20 -1.75 -0.67 116.97 121.08 3a12 h TYR 266 Ca 0.19 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3a12 h TYR 266 Cb 0.29 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3a12 h TYR 266 CO 0.02 0.45 -0.11 0.82 -1.64 0.00 0.00 178.16 177.70 3a12 h ILE 267 N 0.81 1.26 -0.46 1.81 1.08 -0.71 -1.49 117.51 119.80 3a12 h ILE 267 Ca 0.25 -1.19 -0.10 0.00 -0.39 0.00 0.00 64.86 63.44 3a12 h ILE 267 Cb -0.01 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3a12 h ILE 267 CO -0.09 0.41 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.59 3a12 h ARG 268 N 0.75 0.88 -0.50 2.37 1.12 -0.72 -0.71 114.38 117.57 3a12 h ARG 268 Ca 0.13 -0.33 -0.08 0.00 -1.11 0.00 0.00 59.98 58.59 3a12 h ARG 268 Cb 0.61 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.49 3a12 h ARG 268 CO 0.04 0.97 0.00 -0.44 -3.11 0.00 0.00 179.97 177.43 3a12 h ASP 269 N 0.72 0.80 -0.16 -3.80 3.32 -0.95 -0.49 116.42 115.85 3a12 h ASP 269 Ca 0.12 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3a12 h ASP 269 Cb 0.64 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3a12 h ASP 269 CO 0.04 0.87 -0.03 0.25 -1.72 0.00 0.00 179.24 178.65 3a12 h LEU 270 N 0.78 0.30 -0.98 1.55 5.85 -1.16 -0.54 115.31 121.12 3a12 h LEU 270 Ca 0.15 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3a12 h LEU 270 Cb 0.47 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3a12 h LEU 270 CO 0.02 0.58 0.64 0.00 -0.34 0.00 0.00 178.44 179.34 3a12 h ALA 271 N 0.73 1.31 -0.57 1.25 0.00 -1.02 -1.75 119.26 119.21 3a12 h ALA 271 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3a12 h ALA 271 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a12 h ALA 271 CO 0.01 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 3a12 h ALA 272 N 1.41 0.79 -0.51 0.00 0.00 -0.89 0.98 119.26 121.04 3a12 h ALA 272 Ca 0.40 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a12 h ALA 272 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3a12 h ALA 272 CO -0.14 0.67 0.30 -0.44 0.00 0.00 0.00 179.25 179.65 3a12 h ASP 273 N 0.95 0.61 0.61 0.00 3.32 -0.73 -1.72 116.42 119.45 3a12 h ASP 273 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3a12 h ASP 273 Cb 0.64 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3a12 h ASP 273 CO 0.04 0.47 -0.02 -1.22 -1.72 0.00 0.00 179.24 176.80 3a12 n TYR 274 N -4.43 0.00 -2.37 4.55 4.01 -0.69 -4.92 117.16 113.32 3a12 n TYR 274 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 3a12 n TYR 274 Cb 0.08 -0.31 0.01 0.00 -0.31 0.00 0.00 39.34 38.81 3a12 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a12 n GLY 275 N 1.32 0.15 3.61 2.72 0.00 -0.65 -4.90 105.19 107.45 3a12 n GLY 275 Ca 0.13 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3a12 n GLY 275 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 276 N -2.56 3.55 0.38 0.99 1.43 0.25 -4.87 118.68 117.86 3a12 s LEU 276 Ca 0.06 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 3a12 s LEU 276 Cb -0.03 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.24 3a12 s LEU 276 CO 0.08 0.26 0.89 0.00 0.23 0.00 0.00 176.35 177.80 3a12 s ALA 277 N -0.14 3.14 -0.19 4.21 0.00 -0.19 -4.25 121.76 124.34 3a12 s ALA 277 Ca 0.05 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 3a12 s ALA 277 Cb -0.13 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3a12 s ALA 277 CO 0.02 0.19 -0.02 0.42 0.00 0.00 0.00 175.76 176.38 3a12 s ILE 278 N -2.04 3.86 -0.31 0.00 1.01 -1.26 -0.52 121.20 121.93 3a12 s ILE 278 Ca 0.58 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.73 3a12 s ILE 278 Cb -0.11 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3a12 s ILE 278 CO 0.16 0.44 0.36 -2.28 0.00 0.00 0.00 174.94 173.62 3a12 s HIS 279 N 0.89 3.22 -0.32 3.97 5.65 0.00 -1.81 115.29 126.90 3a12 s HIS 279 Ca 0.00 0.19 -0.13 0.00 0.25 0.00 0.00 55.06 55.37 3a12 s HIS 279 Cb -0.14 -2.62 -0.02 0.00 -1.18 0.00 0.00 32.58 28.61 3a12 s HIS 279 CO 0.02 -0.33 0.27 0.20 -0.65 0.00 0.00 174.74 174.25 3a12 s GLY 280 N 1.70 1.93 -0.05 1.59 0.00 0.11 -0.57 107.32 112.03 3a12 s GLY 280 Ca 0.13 -1.23 -0.09 0.00 0.00 0.00 0.00 44.72 43.53 3a12 s GLY 280 CO 0.11 0.82 0.26 -1.58 0.00 0.00 0.00 173.10 172.71 3a12 s HIS 281 N 1.84 3.64 -0.41 1.90 2.46 -0.04 -2.92 115.29 121.75 3a12 s HIS 281 Ca 0.09 0.69 0.16 0.00 0.47 0.00 0.00 55.06 56.46 3a12 s HIS 281 Cb -0.17 -2.07 0.65 0.00 -0.13 0.00 0.00 32.58 30.86 3a12 s HIS 281 CO 0.11 0.68 1.56 2.89 -2.47 0.00 0.00 174.74 177.51 3a12 n ARG 282 N 1.72 3.75 -1.53 2.88 1.85 -1.26 -0.79 116.66 123.28 3a12 n ARG 282 Ca -0.16 -2.91 -0.51 0.00 -1.00 0.00 0.00 57.85 53.27 3a12 n ARG 282 Cb 0.54 -1.96 -0.05 0.00 -1.05 0.00 0.00 32.46 29.94 3a12 n ARG 282 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a12 n ALA 283 N 0.23 -1.92 0.00 2.89 0.00 -1.26 -0.79 120.51 119.66 3a12 n ALA 283 Ca 0.24 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3a12 n ALA 283 Cb 0.97 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3a12 n ALA 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3a12 n MET 284 N 1.57 0.00 -0.21 0.00 0.00 -1.26 -4.11 117.12 113.12 3a12 n MET 284 Ca 0.17 0.00 0.07 0.00 -0.00 0.00 0.00 57.70 57.94 3a12 n MET 284 Cb 0.20 -0.43 0.35 0.00 0.00 0.00 0.00 33.22 33.34 3a12 n MET 284 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 3a12 h HIS 285 N 0.00 0.79 0.00 1.12 -0.00 -1.37 -2.13 115.15 113.56 3a12 h HIS 285 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3a12 h HIS 285 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 3a12 h HIS 285 CO 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 177.93 178.32 3a12 h ALA 286 N 1.60 1.00 -0.12 6.11 0.00 -1.92 -0.86 119.26 125.07 3a12 h ALA 286 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3a12 h ALA 286 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3a12 h ALA 286 CO -0.13 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.22 3a12 h ALA 287 N 2.16 2.00 0.00 0.00 0.00 -1.80 -3.24 119.26 118.37 3a12 h ALA 287 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 287 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a12 h ALA 287 CO 0.00 -0.16 0.00 1.97 0.00 0.00 0.00 179.25 181.06 3a12 n PHE 288 N -4.32 0.00 0.88 0.00 1.16 -0.58 -4.80 117.46 109.80 3a12 n PHE 288 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.68 3a12 n PHE 288 Cb 0.21 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.09 3a12 n PHE 288 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3a12 n THR 289 N -0.43 0.00 -0.02 1.97 -2.24 -0.43 -1.39 114.28 111.73 3a12 n THR 289 Ca 0.00 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 3a12 n THR 289 Cb 0.03 1.26 -0.13 0.00 -2.10 0.00 0.00 70.33 69.39 3a12 n THR 289 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a12 h ARG 290 N 2.48 0.16 -6.26 -0.78 2.43 -1.80 -3.42 114.38 107.20 3a12 h ARG 290 Ca 0.00 -0.28 -0.56 0.00 -0.81 0.00 0.00 59.98 58.33 3a12 h ARG 290 Cb 0.70 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3a12 h ARG 290 CO 0.00 1.13 1.18 1.21 -1.51 0.00 0.00 179.97 181.99 3a12 s ASN 291 N -6.85 6.26 0.00 -3.80 3.84 -1.26 -4.87 114.94 108.26 3a12 s ASN 291 Ca -0.21 1.74 0.10 0.00 0.21 0.00 0.00 52.86 54.70 3a12 s ASN 291 Cb 0.03 -2.53 0.47 0.00 -0.55 0.00 0.00 41.25 38.67 3a12 s ASN 291 CO 0.73 -1.34 1.25 -0.81 -2.79 0.00 0.00 177.10 174.14 3a12 n PRO 292 N 7.81 0.09 0.00 0.43 -0.04 -1.26 -2.34 135.00 139.69 3a12 n PRO 292 Ca 0.20 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.94 3a12 n PRO 292 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3a12 n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a12 n TYR 293 N -1.37 0.00 -3.66 0.54 4.01 -1.26 -4.89 117.16 110.53 3a12 n TYR 293 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 3a12 n TYR 293 Cb 0.09 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.04 3a12 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a12 s HIS 294 N -1.25 -0.79 0.00 -0.72 2.46 -0.99 -2.36 115.29 111.65 3a12 s HIS 294 Ca 0.04 1.77 0.00 0.00 0.47 0.00 0.00 55.06 57.34 3a12 s HIS 294 Cb 0.05 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 3a12 s HIS 294 CO 0.19 -0.39 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 3a12 n GLY 295 N 3.42 0.23 3.03 1.59 0.00 -0.54 -4.23 105.19 108.69 3a12 n GLY 295 Ca -0.17 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.57 3a12 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 296 N 0.00 1.28 0.56 -0.61 1.01 -0.49 -1.24 121.20 121.71 3a12 s ILE 296 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 3a12 s ILE 296 Cb 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 3a12 s ILE 296 CO 0.00 0.39 1.19 -0.55 0.00 0.00 0.00 174.94 175.98 3a12 s SER 297 N 0.91 5.47 0.58 3.58 0.15 -0.13 -3.76 113.70 120.50 3a12 s SER 297 Ca -0.09 2.36 0.28 0.00 0.70 0.00 0.00 55.95 59.19 3a12 s SER 297 Cb -0.15 -2.60 1.73 0.00 -1.71 0.00 0.00 66.02 63.29 3a12 s SER 297 CO 0.00 -1.40 2.23 -0.03 1.20 0.00 0.00 173.24 175.24 3a12 h MET 298 N 1.18 0.00 -0.71 5.44 4.05 -1.91 -2.00 114.93 120.99 3a12 h MET 298 Ca -0.50 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3a12 h MET 298 Cb 1.28 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 3a12 h MET 298 CO 0.56 0.02 0.43 0.35 0.23 0.00 0.00 176.91 178.50 3a12 h PHE 299 N 0.00 0.93 -0.27 1.39 3.57 -1.90 0.96 116.94 121.61 3a12 h PHE 299 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3a12 h PHE 299 Cb 0.04 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3a12 h PHE 299 CO 0.00 0.62 0.03 0.28 -2.23 0.00 0.00 178.31 177.01 3a12 h VAL 300 N 0.96 1.24 -0.56 1.41 2.07 -1.57 -2.31 116.25 117.49 3a12 h VAL 300 Ca 0.25 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3a12 h VAL 300 Cb -0.04 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3a12 h VAL 300 CO -0.05 0.27 0.28 -0.07 0.02 0.00 0.00 177.57 178.02 3a12 h LEU 301 N 0.26 0.38 -0.53 2.57 4.07 -1.32 -1.15 115.31 119.59 3a12 h LEU 301 Ca 0.08 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.09 3a12 h LEU 301 Cb 0.37 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 3a12 h LEU 301 CO 0.01 0.25 0.34 0.00 -1.08 0.00 0.00 178.44 177.97 3a12 h ALA 302 N 1.32 0.68 -0.27 1.53 0.00 -0.64 0.69 119.26 122.57 3a12 h ALA 302 Ca 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3a12 h ALA 302 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a12 h ALA 302 CO -0.19 0.09 0.07 -0.22 0.00 0.00 0.00 179.25 179.00 3a12 h LYS 303 N 0.69 0.42 -0.45 0.00 3.64 -1.11 -1.85 116.57 117.92 3a12 h LYS 303 Ca 0.20 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3a12 h LYS 303 Cb -0.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3a12 h LYS 303 CO -0.06 0.50 0.11 -0.07 -2.27 0.00 0.00 179.45 177.66 3a12 h LEU 304 N 0.26 0.68 -1.12 5.20 3.38 -0.79 -1.11 115.31 121.82 3a12 h LEU 304 Ca 0.08 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3a12 h LEU 304 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3a12 h LEU 304 CO -0.00 0.73 -0.14 1.88 0.09 0.00 0.00 178.44 181.00 3a12 h TYR 305 N 0.60 0.49 -0.49 1.13 0.05 -0.84 -0.46 116.97 117.45 3a12 h TYR 305 Ca 0.14 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3a12 h TYR 305 Cb 0.31 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3a12 h TYR 305 CO 0.02 0.58 0.09 -0.09 -1.05 0.00 0.00 178.16 177.71 3a12 h ARG 306 N 0.42 0.80 -0.56 4.88 2.43 -0.98 -0.40 114.38 120.97 3a12 h ARG 306 Ca 0.08 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3a12 h ARG 306 Cb 0.50 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3a12 h ARG 306 CO 0.03 0.80 0.15 -0.07 -1.51 0.00 0.00 179.97 179.37 3a12 h LEU 307 N 0.67 0.84 -0.98 3.80 3.38 -0.63 -2.61 115.31 119.77 3a12 h LEU 307 Ca 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3a12 h LEU 307 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3a12 h LEU 307 CO 0.01 0.84 0.13 0.40 0.09 0.00 0.00 178.44 179.91 3a12 h ILE 308 N 0.79 1.23 0.00 1.22 2.04 -0.98 -0.61 117.51 121.21 3a12 h ILE 308 Ca 0.18 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3a12 h ILE 308 Cb 0.32 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3a12 h ILE 308 CO -0.00 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.07 3a12 n GLY 309 N -0.83 1.92 3.69 5.37 0.00 -0.42 -4.20 105.19 110.71 3a12 n GLY 309 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3a12 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 310 N -1.92 3.97 0.18 -0.61 -1.09 -0.29 -4.26 121.20 117.17 3a12 s ILE 310 Ca 0.00 1.32 0.08 0.00 -2.23 0.00 0.00 60.65 59.82 3a12 s ILE 310 Cb 0.00 -3.85 -0.14 0.00 -1.58 0.00 0.00 42.46 36.89 3a12 s ILE 310 CO 0.00 -0.01 1.41 0.44 -1.23 0.00 0.00 174.94 175.55 3a12 h ASP 311 N 7.70 0.00 -3.72 3.58 3.32 -1.75 -3.42 116.42 122.13 3a12 h ASP 311 Ca -0.36 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.47 3a12 h ASP 311 Cb 1.17 -0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.44 3a12 h ASP 311 CO 0.90 0.86 -0.64 -1.10 -1.72 0.00 0.00 179.24 177.53 3a12 s GLN 312 N -3.05 0.07 -0.07 3.56 -0.21 -0.75 -0.57 119.66 118.63 3a12 s GLN 312 Ca 0.00 0.12 -0.05 0.00 0.02 0.00 0.00 55.36 55.45 3a12 s GLN 312 Cb 0.11 0.01 0.03 0.00 1.00 0.00 0.00 33.01 34.15 3a12 s GLN 312 CO 0.80 -0.03 0.18 -1.17 -2.12 0.00 0.00 175.29 172.95 3a12 s LEU 313 N 0.17 1.03 0.10 2.90 2.96 -0.33 0.09 118.68 125.59 3a12 s LEU 313 Ca -0.01 0.37 -0.31 0.00 -0.22 0.00 0.00 54.13 53.96 3a12 s LEU 313 Cb -0.02 0.58 -0.07 0.00 0.50 0.00 0.00 46.19 47.18 3a12 s LEU 313 CO -0.00 -0.10 1.33 -1.00 -1.32 0.00 0.00 176.35 175.26 3a12 s HIS 314 N 0.53 3.30 0.00 5.38 3.76 -1.15 0.35 115.29 127.46 3a12 s HIS 314 Ca -0.04 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 3a12 s HIS 314 Cb -0.05 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 30.04 3a12 s HIS 314 CO -0.03 -2.03 0.00 1.33 -0.85 0.00 0.00 174.74 173.16 3a12 n VAL 315 N 3.96 0.00 0.00 -0.90 0.24 -0.38 -4.82 118.33 116.42 3a12 n VAL 315 Ca 0.11 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3a12 n VAL 315 Cb 0.44 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 3a12 n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a12 n GLY 316 N 1.39 1.10 0.45 7.63 0.00 -1.24 -4.79 105.19 109.73 3a12 n GLY 316 Ca 0.00 -2.24 0.06 0.00 0.00 0.00 0.00 46.02 43.84 3a12 n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a12 n THR 317 N -0.62 0.00 -2.20 2.61 -2.24 -1.26 -4.35 114.28 106.22 3a12 n THR 317 Ca 0.00 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 3a12 n THR 317 Cb 0.00 1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.46 3a12 n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a12 n ALA 318 N 0.63 -0.30 0.00 6.98 0.00 -1.26 -3.39 120.51 123.16 3a12 n ALA 318 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3a12 n ALA 318 Cb 0.28 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3a12 n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 319 N -1.01 2.21 0.19 0.00 0.00 -1.15 -4.06 105.19 101.37 3a12 n GLY 319 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3a12 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 h ALA 320 N 0.00 1.38 -4.09 4.61 0.00 -1.90 -3.47 119.26 115.80 3a12 h ALA 320 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3a12 h ALA 320 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3a12 h ALA 320 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3a12 n GLY 321 N -0.47 1.48 0.07 0.00 0.00 -1.26 -4.55 105.19 100.46 3a12 n GLY 321 Ca -0.02 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.07 3a12 n GLY 321 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a12 n LYS 322 N -1.15 0.50 -4.57 1.61 2.85 -0.53 -4.73 118.16 112.14 3a12 n LYS 322 Ca 0.02 -0.14 -0.32 0.00 -1.05 0.00 0.00 58.31 56.82 3a12 n LYS 322 Cb 0.06 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.83 3a12 n LYS 322 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3a12 s LEU 323 N -2.59 2.96 0.67 -5.58 1.43 -1.26 -4.87 118.68 109.44 3a12 s LEU 323 Ca 0.26 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 3a12 s LEU 323 Cb 0.20 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3a12 s LEU 323 CO 0.49 0.28 1.13 1.21 0.23 0.00 0.00 176.35 179.70 3a12 n GLU 324 N 1.65 0.84 0.00 1.70 0.00 -1.26 -4.81 120.64 118.76 3a12 n GLU 324 Ca -0.16 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.34 3a12 n GLU 324 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 31.44 29.60 3a12 n GLU 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3a12 n GLY 325 N 1.03 2.12 3.75 8.31 0.00 -1.26 -4.93 105.19 114.21 3a12 n GLY 325 Ca 0.15 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 3a12 n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a12 s GLY 326 N 0.00 2.43 0.09 -0.02 0.00 -1.26 -2.91 107.32 105.65 3a12 s GLY 326 Ca 0.00 0.82 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 3a12 s GLY 326 CO 0.00 1.20 1.69 1.70 0.00 0.00 0.00 173.10 177.69 3a12 h LYS 327 N 0.27 -0.28 -0.48 2.90 3.64 -1.97 -1.50 116.57 119.15 3a12 h LYS 327 Ca -0.48 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 3a12 h LYS 327 Cb 1.28 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 3a12 h LYS 327 CO 0.53 -0.18 0.11 2.35 -2.27 0.00 0.00 179.45 179.98 3a12 h TRP 328 N -0.29 0.81 -0.48 1.91 7.01 -1.92 -1.54 115.95 121.45 3a12 h TRP 328 Ca -0.01 -0.10 0.09 0.00 2.11 0.00 0.00 58.89 60.98 3a12 h TRP 328 Cb 0.26 -0.23 -0.08 0.00 -2.10 0.00 0.00 29.16 27.02 3a12 h TRP 328 CO -0.11 0.74 0.03 -0.44 -2.79 0.00 0.00 178.44 175.87 3a12 h ASP 329 N 0.65 -0.15 -0.00 2.65 3.32 -1.92 -1.89 116.42 119.08 3a12 h ASP 329 Ca 0.15 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 3a12 h ASP 329 Cb 0.34 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3a12 h ASP 329 CO 0.00 -0.04 -0.35 0.58 -1.72 0.00 0.00 179.24 177.71 3a12 h VAL 330 N 0.15 1.29 -0.81 -1.35 2.07 -0.99 -1.88 116.25 114.73 3a12 h VAL 330 Ca 0.24 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3a12 h VAL 330 Cb 0.35 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3a12 h VAL 330 CO -0.38 0.46 0.52 0.40 0.02 0.00 0.00 177.57 178.60 3a12 h ILE 331 N 0.41 1.16 -0.51 4.57 2.04 -0.81 -1.50 117.51 122.87 3a12 h ILE 331 Ca 0.05 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3a12 h ILE 331 Cb 0.81 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3a12 h ILE 331 CO 0.07 0.19 0.08 1.56 0.00 0.00 0.00 178.15 180.05 3a12 h GLN 332 N 1.04 0.84 -0.54 2.37 1.08 -0.89 0.99 115.11 120.00 3a12 h GLN 332 Ca 0.31 -0.23 0.10 0.00 -1.45 0.00 0.00 58.65 57.39 3a12 h GLN 332 Cb -0.05 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.21 3a12 h GLN 332 CO -0.09 0.83 0.08 -0.91 -0.95 0.00 0.00 178.83 177.79 3a12 h ASN 333 N 0.72 -0.07 -0.34 1.46 2.35 -1.09 0.23 115.58 118.84 3a12 h ASN 333 Ca 0.15 0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3a12 h ASN 333 Cb 0.40 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 3a12 h ASN 333 CO 0.01 -0.01 -0.16 0.00 -1.65 0.00 0.00 177.43 175.61 3a12 h ALA 334 N 1.45 0.91 -0.30 -0.83 0.00 -0.86 -2.73 119.26 116.90 3a12 h ALA 334 Ca 0.28 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a12 h ALA 334 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a12 h ALA 334 CO -0.39 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 3a12 h ARG 335 N 0.72 0.55 0.00 0.00 3.08 0.09 -2.75 114.38 116.07 3a12 h ARG 335 Ca 0.11 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3a12 h ARG 335 Cb 0.67 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3a12 h ARG 335 CO 0.05 0.72 -0.08 0.97 -1.07 0.00 0.00 179.97 180.56 3a12 h ILE 336 N 0.33 0.30 0.01 2.04 6.09 -0.92 -0.88 117.51 124.48 3a12 h ILE 336 Ca 0.08 -0.52 -0.19 0.00 -1.37 0.00 0.00 64.86 62.86 3a12 h ILE 336 Cb 0.49 1.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.16 3a12 h ILE 336 CO 0.02 0.08 -0.90 -0.07 -3.07 0.00 0.00 178.15 174.20 3a12 h LEU 337 N 0.00 0.10 0.00 2.19 3.38 -1.29 -3.40 115.31 116.29 3a12 h LEU 337 Ca -0.00 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 3a12 h LEU 337 Cb 0.39 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3a12 h LEU 337 CO 0.01 0.95 -1.84 0.54 0.09 0.00 0.00 178.44 178.19 3a12 n ARG 338 N -3.54 1.72 -2.94 1.13 1.74 -0.73 -0.70 116.66 113.34 3a12 n ARG 338 Ca -0.02 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 3a12 n ARG 338 Cb 0.84 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.90 3a12 n ARG 338 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a12 s GLU 339 N -2.39 4.60 0.16 5.56 2.02 -0.41 -4.58 118.70 123.67 3a12 s GLU 339 Ca -0.06 1.20 0.06 0.00 0.02 0.00 0.00 54.97 56.19 3a12 s GLU 339 Cb 0.04 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 3a12 s GLU 339 CO 0.53 0.51 1.37 0.66 0.02 0.00 0.00 175.26 178.35 3a12 h SER 340 N 4.56 0.08 -2.98 -0.19 4.64 -1.91 -3.41 113.55 114.33 3a12 h SER 340 Ca -0.46 -0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 60.22 3a12 h SER 340 Cb 1.21 -0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 62.87 3a12 h SER 340 CO 0.67 0.93 -0.78 -2.28 -0.87 0.00 0.00 176.83 174.50 3a12 s HIS 341 N -3.03 1.13 -0.20 4.77 5.65 -1.26 -0.12 115.29 122.22 3a12 s HIS 341 Ca -0.01 -1.53 -0.26 0.00 0.25 0.00 0.00 55.06 53.51 3a12 s HIS 341 Cb 0.11 -1.34 -0.00 0.00 -1.18 0.00 0.00 32.58 30.16 3a12 s HIS 341 CO 0.81 -0.84 0.90 -0.47 -0.65 0.00 0.00 174.74 174.49 3a12 s TYR 342 N 1.53 3.37 -0.15 3.88 5.04 0.30 -4.93 117.35 126.38 3a12 s TYR 342 Ca 0.12 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 56.06 3a12 s TYR 342 Cb -0.19 -3.11 0.01 0.00 0.35 0.00 0.00 41.96 39.02 3a12 s TYR 342 CO -0.21 -0.36 -0.18 -1.59 -1.34 0.00 0.00 175.55 171.87 3a12 s LYS 343 N 2.65 3.11 0.67 4.97 -2.85 -1.26 -0.99 119.74 126.04 3a12 s LYS 343 Ca 0.40 -0.80 -0.17 0.00 -1.00 0.00 0.00 55.97 54.40 3a12 s LYS 343 Cb -0.16 -2.56 0.01 0.00 -2.06 0.00 0.00 37.83 33.06 3a12 s LYS 343 CO 0.09 -0.04 1.23 -1.25 0.10 0.00 0.00 175.35 175.49 3a12 s PRO 344 N 0.91 2.48 0.72 1.78 0.04 -1.26 -4.97 135.00 134.70 3a12 s PRO 344 Ca -0.04 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 3a12 s PRO 344 Cb -0.15 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3a12 s PRO 344 CO -0.03 -1.59 0.60 -0.25 0.04 0.00 0.00 177.00 175.77 3a12 n ASP 345 N -2.20 -0.92 -0.36 6.66 8.00 -1.26 -4.86 116.55 121.60 3a12 n ASP 345 Ca 0.14 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.35 3a12 n ASP 345 Cb 0.50 -1.24 0.29 0.00 -0.02 0.00 0.00 41.12 40.64 3a12 n ASP 345 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3a12 h GLU 346 N -0.33 0.83 -0.75 -1.24 9.09 -2.03 -0.90 114.58 119.25 3a12 h GLU 346 Ca -0.46 -0.05 -0.32 0.00 0.05 0.00 0.00 59.36 58.58 3a12 h GLU 346 Cb 1.35 -0.19 -0.19 0.00 -1.65 0.00 0.00 28.75 28.07 3a12 h GLU 346 CO 0.43 0.55 0.36 0.27 0.05 0.00 0.00 179.01 180.67 3a12 n ASN 347 N -4.71 3.92 -4.60 3.06 0.23 -1.26 -4.90 115.26 107.01 3a12 n ASN 347 Ca 0.22 -3.47 -0.43 0.00 -0.53 0.00 0.00 54.58 50.36 3a12 n ASN 347 Cb 0.48 -0.76 -0.02 0.00 -2.08 0.00 0.00 39.78 37.41 3a12 n ASN 347 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3a12 s ASP 348 N -1.46 6.62 0.00 0.53 -1.08 -0.35 -4.89 116.67 116.04 3a12 s ASP 348 Ca 0.53 0.43 0.27 0.00 -0.52 0.00 0.00 52.55 53.27 3a12 s ASP 348 Cb 0.45 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 40.28 3a12 s ASP 348 CO 0.10 -1.26 1.67 0.52 0.52 0.00 0.00 175.17 176.72 3a12 n VAL 349 N 6.83 0.00 -0.07 1.11 0.31 -1.26 -4.37 118.33 120.88 3a12 n VAL 349 Ca 0.12 -0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 3a12 n VAL 349 Cb 0.49 0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 33.87 3a12 n VAL 349 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3a12 n PHE 350 N 0.03 0.00 -4.42 3.52 3.72 -1.26 -4.98 117.46 114.08 3a12 n PHE 350 Ca 0.17 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.30 3a12 n PHE 350 Cb 0.37 -0.64 -0.11 0.00 -0.94 0.00 0.00 39.48 38.16 3a12 n PHE 350 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3a12 s HIS 351 N -2.32 2.33 0.21 1.38 3.76 -1.26 -4.29 115.29 115.10 3a12 s HIS 351 Ca -0.14 -0.34 0.09 0.00 -0.15 0.00 0.00 55.06 54.51 3a12 s HIS 351 Cb 0.05 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 3a12 s HIS 351 CO 0.46 0.52 -0.02 -0.51 -0.85 0.00 0.00 174.74 174.34 3a12 s LEU 352 N -2.78 3.19 0.34 0.89 1.43 -1.26 -4.75 118.68 115.74 3a12 s LEU 352 Ca 0.22 -0.54 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 3a12 s LEU 352 Cb -0.08 -1.80 -0.12 0.00 0.03 0.00 0.00 46.19 44.22 3a12 s LEU 352 CO 0.11 0.06 1.33 1.21 0.23 0.00 0.00 176.35 179.29 3a12 n GLU 353 N -0.40 2.21 -3.66 1.70 2.13 -1.26 -4.65 120.64 116.71 3a12 n GLU 353 Ca -0.09 0.78 -0.11 0.00 0.66 0.00 0.00 57.16 58.40 3a12 n GLU 353 Cb 0.57 -2.39 -0.11 0.00 0.27 0.00 0.00 31.44 29.78 3a12 n GLU 353 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a12 s GLN 354 N -1.78 0.25 0.15 5.31 2.00 -0.16 -4.98 119.66 120.45 3a12 s GLN 354 Ca 0.56 0.90 -0.12 0.00 -2.00 0.00 0.00 55.36 54.69 3a12 s GLN 354 Cb -0.56 0.16 -0.07 0.00 0.80 0.00 0.00 33.01 33.34 3a12 s GLN 354 CO 0.61 -0.26 0.52 0.15 -0.50 0.00 0.00 175.29 175.82 3a12 s LYS 355 N 2.44 3.89 0.00 1.67 1.02 -1.26 -0.54 119.74 126.96 3a12 s LYS 355 Ca -0.01 0.38 0.06 0.00 0.02 0.00 0.00 55.97 56.42 3a12 s LYS 355 Cb -0.12 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3a12 s LYS 355 CO -0.11 0.46 0.46 1.19 -0.92 0.00 0.00 175.35 176.42 3a12 n PHE 356 N 0.60 0.00 0.00 3.18 3.72 0.83 -4.93 117.46 120.85 3a12 n PHE 356 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3a12 n PHE 356 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3a12 n PHE 356 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3a12 n TYR 357 N -0.45 0.00 -0.24 1.38 4.01 -1.26 -0.69 117.16 119.92 3a12 n TYR 357 Ca 0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 3a12 n TYR 357 Cb 0.12 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 39.46 3a12 n TYR 357 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a12 n SER 358 N 8.05 3.90 -4.67 7.72 3.41 -1.26 -4.89 113.62 125.88 3a12 n SER 358 Ca 0.00 -2.16 -0.42 0.00 -0.26 0.00 0.00 58.87 56.02 3a12 n SER 358 Cb 0.00 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 3a12 n SER 358 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a12 s ILE 359 N -1.39 3.95 0.89 -1.33 -1.09 0.13 -4.99 121.20 117.38 3a12 s ILE 359 Ca 0.46 1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 59.99 3a12 s ILE 359 Cb 0.26 -3.79 0.13 0.00 -1.58 0.00 0.00 42.46 37.47 3a12 s ILE 359 CO 0.27 -0.07 1.09 -0.54 -1.23 0.00 0.00 174.94 174.47 3a12 s LYS 360 N 3.18 1.30 0.36 2.79 1.02 -1.26 -4.92 119.74 122.21 3a12 s LYS 360 Ca 0.62 1.00 -0.26 0.00 0.02 0.00 0.00 55.97 57.35 3a12 s LYS 360 Cb -0.27 -1.80 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 3a12 s LYS 360 CO 0.22 -2.26 1.08 0.00 -0.92 0.00 0.00 175.35 173.47 3a12 s ALA 361 N -2.85 3.19 0.06 5.17 0.00 -1.26 -4.58 121.76 121.48 3a12 s ALA 361 Ca 0.64 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.43 3a12 s ALA 361 Cb -0.19 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3a12 s ALA 361 CO 0.57 -0.24 0.01 0.00 0.00 0.00 0.00 175.76 176.10 3a12 s ALA 362 N -1.47 3.32 -0.39 0.00 0.00 0.12 -1.29 121.76 122.06 3a12 s ALA 362 Ca 0.54 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 3a12 s ALA 362 Cb -0.26 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3a12 s ALA 362 CO 0.33 0.69 1.29 -0.06 0.00 0.00 0.00 175.76 178.01 3a12 s PHE 363 N -1.24 2.64 0.36 0.00 0.08 0.26 -4.26 117.98 115.83 3a12 s PHE 363 Ca 0.24 0.78 -0.28 0.00 0.12 0.00 0.00 56.93 57.79 3a12 s PHE 363 Cb -0.12 -4.18 -0.10 0.00 -0.57 0.00 0.00 43.02 38.06 3a12 s PHE 363 CO 0.16 -1.63 1.34 -2.14 -0.10 0.00 0.00 175.22 172.84 3a12 s PRO 364 N 4.50 4.20 -0.13 0.24 0.02 -1.26 -1.19 135.00 141.37 3a12 s PRO 364 Ca 0.55 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.86 3a12 s PRO 364 Cb -0.13 -2.96 0.01 0.00 0.02 0.00 0.00 34.50 31.44 3a12 s PRO 364 CO 0.28 -0.34 -0.23 0.99 -0.33 0.00 0.00 177.00 177.38 3a12 s THR 365 N -1.17 2.06 -0.16 0.99 2.01 0.15 -0.58 115.64 118.94 3a12 s THR 365 Ca 0.52 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 3a12 s THR 365 Cb -0.40 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3a12 s THR 365 CO 0.53 0.55 -0.05 -0.44 -0.69 0.00 0.00 174.62 174.52 3a12 s SER 366 N 0.68 4.63 -0.09 3.53 0.01 0.39 -1.25 113.70 121.61 3a12 s SER 366 Ca -0.10 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 3a12 s SER 366 Cb -0.16 -1.75 0.09 0.00 0.21 0.00 0.00 66.02 64.40 3a12 s SER 366 CO 0.01 0.15 0.77 -0.55 0.41 0.00 0.00 173.24 174.04 3a12 s SER 367 N 0.45 -0.58 0.00 2.44 0.15 -1.26 -1.77 113.70 113.12 3a12 s SER 367 Ca -0.05 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3a12 s SER 367 Cb -0.15 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3a12 s SER 367 CO 0.03 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.56 3a12 n GLY 368 N 0.95 1.91 2.32 9.45 0.00 -1.26 -4.57 105.19 113.99 3a12 n GLY 368 Ca -0.16 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3a12 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a12 n GLY 369 N 0.08 0.74 3.82 -0.02 0.00 -1.26 -1.46 105.19 107.09 3a12 n GLY 369 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3a12 n GLY 369 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 370 N -3.23 4.14 0.29 0.99 1.43 -1.26 -4.60 118.68 116.44 3a12 s LEU 370 Ca 0.00 1.51 -0.09 0.00 -1.03 0.00 0.00 54.13 54.51 3a12 s LEU 370 Cb 0.00 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.15 3a12 s LEU 370 CO 0.00 -0.17 0.48 -1.38 0.23 0.00 0.00 176.35 175.51 3a12 s HIS 371 N -1.87 0.61 0.53 0.29 -3.43 -1.26 -3.62 115.29 106.53 3a12 s HIS 371 Ca 0.53 -0.95 0.17 0.00 -0.80 0.00 0.00 55.06 54.02 3a12 s HIS 371 Cb -0.13 0.11 1.32 0.00 -1.43 0.00 0.00 32.58 32.46 3a12 s HIS 371 CO 0.18 -1.07 2.16 -1.35 -2.00 0.00 0.00 174.74 172.66 3a12 h PRO 372 N 2.21 0.00 -0.20 -0.38 0.11 -1.93 -1.99 132.00 129.82 3a12 h PRO 372 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 3a12 h PRO 372 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3a12 h PRO 372 CO 0.38 0.00 -0.10 0.78 -0.21 0.00 0.00 178.00 178.85 3a12 h GLY 373 N 0.00 0.33 -0.69 -0.55 0.00 -1.92 -3.31 103.07 96.93 3a12 h GLY 373 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3a12 h GLY 373 CO -0.00 0.19 -0.34 1.16 0.00 0.00 0.00 176.54 177.55 3a12 n ASN 374 N -4.27 1.92 0.01 0.19 0.23 -0.75 -4.62 115.26 107.97 3a12 n ASN 374 Ca -0.00 -3.65 0.11 0.00 -0.53 0.00 0.00 54.58 50.51 3a12 n ASN 374 Cb 0.27 -0.50 -0.02 0.00 -2.08 0.00 0.00 39.78 37.45 3a12 n ASN 374 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 3a12 n ILE 375 N -1.22 0.09 -0.08 1.53 -5.35 -1.18 -4.33 119.36 108.82 3a12 n ILE 375 Ca 0.18 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.37 3a12 n ILE 375 Cb 0.68 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.94 3a12 n ILE 375 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3a12 h GLN 376 N 0.00 0.40 0.00 6.28 -0.00 -1.83 -2.16 115.11 117.80 3a12 h GLN 376 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 3a12 h GLN 376 Cb 0.68 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 28.10 3a12 h GLN 376 CO 0.00 0.47 -0.03 -1.00 0.00 0.00 0.00 178.83 178.27 3a12 h PRO 377 N 0.24 0.00 0.05 -2.39 0.13 -1.93 0.92 132.00 129.03 3a12 h PRO 377 Ca 0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.04 3a12 h PRO 377 Cb 0.24 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.39 3a12 h PRO 377 CO -0.00 0.03 -0.68 0.28 -0.23 0.00 0.00 178.00 177.40 3a12 h VAL 378 N 0.00 1.46 0.00 1.56 2.07 -1.70 -2.75 116.25 116.89 3a12 h VAL 378 Ca -0.00 -2.25 -0.11 0.00 0.82 0.00 0.00 66.70 65.16 3a12 h VAL 378 Cb 0.10 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 3a12 h VAL 378 CO 0.00 0.65 -0.50 0.40 0.02 0.00 0.00 177.57 178.14 3a12 h ILE 379 N -0.20 1.34 -0.08 4.57 2.04 -0.89 0.43 117.51 124.72 3a12 h ILE 379 Ca -0.10 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 3a12 h ILE 379 Cb 1.44 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.46 3a12 h ILE 379 CO 0.13 0.49 -0.01 -0.33 0.00 0.00 0.00 178.15 178.44 3a12 h GLU 380 N 0.00 0.15 -0.24 2.37 5.08 -0.89 0.11 114.58 121.15 3a12 h GLU 380 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3a12 h GLU 380 Cb 0.90 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3a12 h GLU 380 CO 0.07 0.44 0.02 0.00 -1.00 0.00 0.00 179.01 178.54 3a12 h ALA 381 N 0.71 0.32 0.00 3.43 0.00 -1.34 -3.36 119.26 119.02 3a12 h ALA 381 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a12 h ALA 381 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a12 h ALA 381 CO 0.01 0.03 -1.17 1.28 0.00 0.00 0.00 179.25 179.39 3a12 n LEU 382 N -4.67 0.66 0.00 0.00 4.77 0.13 -4.91 117.00 112.98 3a12 n LEU 382 Ca -0.04 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3a12 n LEU 382 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3a12 n LEU 382 CO 0.37 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3a12 n GLY 383 N 1.43 -2.16 0.00 -0.72 0.00 0.02 -4.59 105.19 99.18 3a12 n GLY 383 Ca 0.02 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.42 3a12 n GLY 383 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a12 n THR 384 N -0.10 0.02 -1.93 2.61 -2.24 -1.26 -4.54 114.28 106.84 3a12 n THR 384 Ca 0.00 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 3a12 n THR 384 Cb 0.00 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3a12 n THR 384 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a12 n ASP 385 N -1.57 5.50 -4.04 3.42 8.00 -1.26 -3.12 116.55 123.48 3a12 n ASP 385 Ca 0.04 -2.94 -0.08 0.00 0.71 0.00 0.00 54.79 52.52 3a12 n ASP 385 Cb 0.35 -1.54 -0.09 0.00 -0.02 0.00 0.00 41.12 39.82 3a12 n ASP 385 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3a12 s ILE 386 N 1.49 0.15 -0.16 0.53 -4.36 -1.26 -4.32 121.20 113.27 3a12 s ILE 386 Ca 0.48 -1.64 -0.05 0.00 -0.26 0.00 0.00 60.65 59.17 3a12 s ILE 386 Cb 0.14 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 3a12 s ILE 386 CO -0.05 -0.70 0.02 -0.69 0.24 0.00 0.00 174.94 173.75 3a12 s VAL 387 N -3.95 4.42 -0.13 8.37 1.01 0.25 -2.30 120.40 128.07 3a12 s VAL 387 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3a12 s VAL 387 Cb 0.07 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3a12 s VAL 387 CO -0.06 0.50 -0.02 -0.76 0.00 0.00 0.00 175.10 174.76 3a12 s LEU 388 N 0.16 3.39 -0.18 3.92 1.43 0.13 -0.46 118.68 127.07 3a12 s LEU 388 Ca 0.02 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3a12 s LEU 388 Cb -0.13 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3a12 s LEU 388 CO 0.01 0.24 -0.19 -1.58 0.23 0.00 0.00 176.35 175.06 3a12 s GLN 389 N -0.03 2.96 -0.28 1.70 -0.44 -0.73 -1.84 119.66 121.00 3a12 s GLN 389 Ca 0.02 -0.85 0.03 0.00 -2.50 0.00 0.00 55.36 52.06 3a12 s GLN 389 Cb -0.13 -2.59 0.07 0.00 -1.64 0.00 0.00 33.01 28.72 3a12 s GLN 389 CO 0.02 -0.23 -0.05 -0.51 0.50 0.00 0.00 175.29 175.03 3a12 s LEU 390 N 1.29 3.60 0.00 3.68 1.02 -0.78 -4.34 118.68 123.15 3a12 s LEU 390 Ca 0.04 -1.57 0.00 0.00 0.02 0.00 0.00 54.13 52.63 3a12 s LEU 390 Cb -0.13 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.59 3a12 s LEU 390 CO -0.12 -0.25 0.00 0.61 0.02 0.00 0.00 176.35 176.60 3a12 n GLY 391 N 4.44 0.70 0.39 -3.19 0.00 -1.26 -3.86 105.19 102.41 3a12 n GLY 391 Ca -0.09 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.11 3a12 n GLY 391 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a12 h GLY 392 N 0.00 0.92 1.19 -0.02 0.00 -1.88 -0.54 103.07 102.74 3a12 h GLY 392 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3a12 h GLY 392 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3a12 n GLY 393 N -1.50 -0.79 0.71 4.60 0.00 -1.24 -0.88 105.19 106.10 3a12 n GLY 393 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3a12 n GLY 393 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a12 n THR 394 N -1.10 0.96 0.30 2.61 -1.04 -0.35 -4.50 114.28 111.16 3a12 n THR 394 Ca 0.14 0.11 0.17 0.00 -2.04 0.00 0.00 64.05 62.43 3a12 n THR 394 Cb 0.11 -1.75 0.91 0.00 -1.82 0.00 0.00 70.33 67.78 3a12 n THR 394 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a12 h LEU 395 N -0.34 0.00 -2.36 -4.42 4.07 -1.17 -2.80 115.31 108.30 3a12 h LEU 395 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3a12 h LEU 395 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 3a12 h LEU 395 CO -0.07 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 177.95 3a12 n GLY 396 N -0.81 1.95 3.69 0.83 0.00 -0.06 -4.37 105.19 106.43 3a12 n GLY 396 Ca -0.02 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3a12 n GLY 396 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a12 n HIS 397 N 1.41 2.03 0.33 1.61 -0.00 -1.05 -4.87 115.22 114.68 3a12 n HIS 397 Ca 0.21 0.51 0.14 0.00 -0.00 0.00 0.00 57.72 58.58 3a12 n HIS 397 Cb 0.56 -2.36 0.60 0.00 -0.00 0.00 0.00 29.99 28.79 3a12 n HIS 397 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3a12 h PRO 398 N 2.00 0.00 -0.39 1.57 0.13 -1.93 -2.00 132.00 131.39 3a12 h PRO 398 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3a12 h PRO 398 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3a12 h PRO 398 CO 0.59 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 3a12 n ASP 399 N -2.53 4.03 0.00 1.44 8.00 -1.26 -5.08 116.55 121.14 3a12 n ASP 399 Ca 0.01 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.85 3a12 n ASP 399 Cb 0.22 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3a12 n ASP 399 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a12 n GLY 400 N 0.17 1.23 0.29 0.44 0.00 -0.75 -4.46 105.19 102.10 3a12 n GLY 400 Ca 0.21 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 3a12 n GLY 400 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a12 h PRO 401 N 0.00 0.82 -0.74 1.61 0.11 -1.78 -1.08 132.00 130.94 3a12 h PRO 401 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3a12 h PRO 401 Cb 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 3a12 h PRO 401 CO 0.00 0.54 0.40 0.00 -0.21 0.00 0.00 178.00 178.73 3a12 h ALA 402 N 1.35 1.31 -0.25 -0.75 0.00 -1.87 -1.54 119.26 117.51 3a12 h ALA 402 Ca 0.32 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3a12 h ALA 402 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3a12 h ALA 402 CO -0.16 0.56 -0.57 0.00 0.00 0.00 0.00 179.25 179.08 3a12 h ALA 403 N 1.40 0.51 -0.75 0.00 0.00 -1.61 -2.65 119.26 116.17 3a12 h ALA 403 Ca 0.26 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3a12 h ALA 403 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3a12 h ALA 403 CO -0.04 0.69 0.50 0.78 0.00 0.00 0.00 179.25 181.17 3a12 h GLY 404 N 0.78 1.05 0.67 0.00 0.00 -0.79 -0.00 103.07 104.78 3a12 h GLY 404 Ca 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3a12 h GLY 404 CO 0.12 0.34 -0.04 0.00 0.00 0.00 0.00 176.54 176.96 3a12 h ALA 405 N 1.55 0.11 -0.51 3.60 0.00 -1.23 -2.00 119.26 120.79 3a12 h ALA 405 Ca 0.29 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3a12 h ALA 405 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3a12 h ALA 405 CO -0.08 -0.12 0.34 0.00 0.00 0.00 0.00 179.25 179.39 3a12 h ARG 406 N -0.20 0.56 -0.30 0.00 3.08 -1.09 -1.37 114.38 115.06 3a12 h ARG 406 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3a12 h ARG 406 Cb 0.49 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3a12 h ARG 406 CO 0.01 0.37 0.02 0.00 -1.07 0.00 0.00 179.97 179.30 3a12 h ALA 407 N 1.70 0.40 -0.51 0.04 0.00 -0.87 -1.53 119.26 118.49 3a12 h ALA 407 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3a12 h ALA 407 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a12 h ALA 407 CO -0.05 0.13 0.22 0.28 0.00 0.00 0.00 179.25 179.82 3a12 h VAL 408 N 0.31 1.20 0.00 0.00 2.07 -0.56 0.12 116.25 119.40 3a12 h VAL 408 Ca 0.09 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3a12 h VAL 408 Cb 0.40 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3a12 h VAL 408 CO 0.01 0.23 -0.11 0.03 0.02 0.00 0.00 177.57 177.75 3a12 h ARG 409 N 0.67 0.00 -0.01 1.57 2.47 -1.23 -1.61 114.38 116.24 3a12 h ARG 409 Ca 0.17 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 3a12 h ARG 409 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3a12 h ARG 409 CO -0.02 0.11 -0.09 1.96 0.56 0.00 0.00 179.97 182.50 3a12 h GLN 410 N 0.00 0.09 -0.90 0.04 4.20 -0.08 -1.86 115.11 116.59 3a12 h GLN 410 Ca -0.00 -0.07 0.12 0.00 0.06 0.00 0.00 58.65 58.76 3a12 h GLN 410 Cb 0.27 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 3a12 h GLN 410 CO 0.01 0.76 0.52 0.00 -0.67 0.00 0.00 178.83 179.46 3a12 h ALA 411 N 0.33 1.33 -0.26 3.87 0.00 -0.54 0.15 119.26 124.14 3a12 h ALA 411 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3a12 h ALA 411 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3a12 h ALA 411 CO 0.02 0.08 -0.05 0.82 0.00 0.00 0.00 179.25 180.12 3a12 h ILE 412 N 0.81 1.28 -0.20 0.00 2.04 -1.32 -1.03 117.51 119.10 3a12 h ILE 412 Ca 0.45 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 65.31 3a12 h ILE 412 Cb 0.50 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3a12 h ILE 412 CO -0.29 0.33 -0.07 0.44 0.00 0.00 0.00 178.15 178.56 3a12 h ASP 413 N 0.24 -0.24 -0.37 1.72 3.32 -0.80 -0.46 116.42 119.84 3a12 h ASP 413 Ca 0.07 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.26 3a12 h ASP 413 Cb 0.51 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.12 3a12 h ASP 413 CO 0.02 -0.09 -0.25 0.00 -1.72 0.00 0.00 179.24 177.21 3a12 h ALA 414 N 1.17 -0.03 -0.79 3.45 0.00 -0.81 -1.82 119.26 120.42 3a12 h ALA 414 Ca 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3a12 h ALA 414 Cb 0.18 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3a12 h ALA 414 CO -0.22 -0.63 0.46 0.82 0.00 0.00 0.00 179.25 179.68 3a12 h ILE 415 N -0.19 1.22 0.00 0.00 2.04 -0.69 -0.95 117.51 118.95 3a12 h ILE 415 Ca 0.18 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3a12 h ILE 415 Cb 0.47 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3a12 h ILE 415 CO -0.48 0.24 -0.02 0.24 0.00 0.00 0.00 178.15 178.13 3a12 h MET 416 N 1.09 0.00 -0.01 2.37 2.86 -0.28 -2.89 114.93 118.09 3a12 h MET 416 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3a12 h MET 416 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3a12 h MET 416 CO -0.05 0.02 -0.76 1.04 1.06 0.00 0.00 176.91 178.21 3a12 n GLN 417 N -3.13 0.77 -1.71 1.72 6.02 -0.43 -4.98 117.38 115.63 3a12 n GLN 417 Ca -0.00 -0.34 -0.02 0.00 -0.01 0.00 0.00 57.00 56.63 3a12 n GLN 417 Cb 0.25 -1.43 -0.00 0.00 1.02 0.00 0.00 30.24 30.07 3a12 n GLN 417 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a12 n GLY 418 N 1.43 0.37 3.51 1.08 0.00 -0.76 -5.04 105.19 105.77 3a12 n GLY 418 Ca 0.05 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3a12 n GLY 418 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 419 N -2.09 4.51 0.35 -0.61 1.01 -0.92 -5.04 121.20 118.41 3a12 s ILE 419 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 3a12 s ILE 419 Cb 0.00 -3.09 -0.12 0.00 0.01 0.00 0.00 42.46 39.26 3a12 s ILE 419 CO 0.00 0.36 1.25 -2.65 0.00 0.00 0.00 174.94 173.90 3a12 n PRO 420 N 4.56 2.01 -0.34 2.79 -0.02 -1.26 -4.41 135.00 138.33 3a12 n PRO 420 Ca -0.16 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3a12 n PRO 420 Cb 0.52 -2.27 0.27 0.00 -0.02 0.00 0.00 33.50 31.99 3a12 n PRO 420 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a12 h LEU 421 N 2.42 0.88 -0.70 2.45 4.07 -1.95 -1.17 115.31 121.31 3a12 h LEU 421 Ca -0.45 0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.56 3a12 h LEU 421 Cb 1.29 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.86 3a12 h LEU 421 CO 0.62 0.48 0.46 0.44 -1.08 0.00 0.00 178.44 179.36 3a12 h ASP 422 N 0.94 0.80 -0.19 -0.43 5.19 -1.99 0.10 116.42 120.85 3a12 h ASP 422 Ca 0.47 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.76 3a12 h ASP 422 Cb 0.49 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 3a12 h ASP 422 CO -0.24 0.57 -0.28 1.05 -3.12 0.00 0.00 179.24 177.23 3a12 h GLU 423 N 0.94 0.52 -0.31 3.56 -0.00 -1.69 -3.09 114.58 114.50 3a12 h GLU 423 Ca 0.26 -0.31 -0.06 0.00 -0.00 0.00 0.00 59.36 59.26 3a12 h GLU 423 Cb -0.10 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.67 3a12 h GLU 423 CO -0.06 0.91 -0.05 -0.92 -0.00 0.00 0.00 179.01 178.88 3a12 h TYR 424 N 0.18 0.52 0.00 2.06 3.20 -1.14 -2.58 116.97 119.21 3a12 h TYR 424 Ca 0.02 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 3a12 h TYR 424 Cb 0.85 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3a12 h TYR 424 CO 0.09 0.55 -0.01 0.00 -1.64 0.00 0.00 178.16 177.14 3a12 h ALA 425 N 1.48 1.08 -0.35 1.82 0.00 -0.71 -2.42 119.26 120.16 3a12 h ALA 425 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 425 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a12 h ALA 425 CO 0.02 0.02 0.08 0.87 0.00 0.00 0.00 179.25 180.23 3a12 h LYS 426 N 0.00 0.52 -0.34 0.00 1.57 -1.46 -2.72 116.57 114.14 3a12 h LYS 426 Ca -0.00 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 3a12 h LYS 426 Cb 0.15 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 3a12 h LYS 426 CO 0.00 0.48 -0.05 0.25 -0.57 0.00 0.00 179.45 179.57 3a12 n THR 427 N -4.34 2.51 -3.29 -0.16 -2.24 -0.92 -4.89 114.28 100.95 3a12 n THR 427 Ca 0.02 -2.56 -0.07 0.00 -2.27 0.00 0.00 64.05 59.16 3a12 n THR 427 Cb 0.19 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 3a12 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a12 s HIS 428 N -3.17 -1.07 0.05 4.78 3.76 -1.02 -5.07 115.29 113.54 3a12 s HIS 428 Ca 0.44 0.54 -0.19 0.00 -0.15 0.00 0.00 55.06 55.70 3a12 s HIS 428 Cb 0.39 -0.05 -0.14 0.00 1.11 0.00 0.00 32.58 33.89 3a12 s HIS 428 CO 0.02 -0.94 1.35 1.57 -0.85 0.00 0.00 174.74 175.88 3a12 h LYS 429 N 8.14 0.42 -0.39 1.40 -0.00 -1.90 -1.41 116.57 122.83 3a12 h LYS 429 Ca -0.11 -0.23 0.06 0.00 -0.00 0.00 0.00 60.65 60.38 3a12 h LYS 429 Cb 1.13 0.01 -0.05 0.00 -0.00 0.00 0.00 32.23 33.32 3a12 h LYS 429 CO 0.26 0.80 0.08 0.93 -0.00 0.00 0.00 179.45 181.51 3a12 h GLU 430 N 0.06 0.20 -0.48 0.07 3.07 -1.93 0.73 114.58 116.31 3a12 h GLU 430 Ca 0.02 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 3a12 h GLU 430 Cb 0.73 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.56 3a12 h GLU 430 CO 0.04 0.13 0.26 1.25 -1.40 0.00 0.00 179.01 179.29 3a12 h LEU 431 N 0.21 0.39 -0.14 1.33 5.85 -1.81 0.11 115.31 121.24 3a12 h LEU 431 Ca 0.19 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3a12 h LEU 431 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3a12 h LEU 431 CO -0.25 0.27 0.08 0.00 -0.34 0.00 0.00 178.44 178.21 3a12 h ALA 432 N 1.24 0.17 0.00 1.25 0.00 -0.18 -0.33 119.26 121.41 3a12 h ALA 432 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3a12 h ALA 432 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a12 h ALA 432 CO -0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 179.25 178.60 3a12 h ARG 433 N 0.17 0.00 0.21 0.00 2.47 0.80 -0.59 114.38 117.43 3a12 h ARG 433 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3a12 h ARG 433 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3a12 h ARG 433 CO -0.03 0.17 -0.10 0.00 0.56 0.00 0.00 179.97 180.57 3a12 h ALA 434 N 1.83 -0.28 -0.90 0.04 0.00 -0.23 -2.94 119.26 116.78 3a12 h ALA 434 Ca -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.90 3a12 h ALA 434 Cb 0.30 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3a12 h ALA 434 CO 0.02 -0.45 0.59 -0.07 0.00 0.00 0.00 179.25 179.34 3a12 h LEU 435 N -0.69 0.51 -0.18 0.00 3.38 -0.51 -1.55 115.31 116.27 3a12 h LEU 435 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3a12 h LEU 435 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3a12 h LEU 435 CO 0.05 0.22 0.09 -0.08 0.09 0.00 0.00 178.44 178.80 3a12 h GLU 436 N 0.51 0.27 -0.15 1.13 4.81 -1.10 0.48 114.58 120.53 3a12 h GLU 436 Ca 0.47 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.58 3a12 h GLU 436 Cb 1.02 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 3a12 h GLU 436 CO -0.20 0.31 -0.23 -0.22 -0.73 0.00 0.00 179.01 177.93 3a12 h LYS 437 N 0.16 0.43 0.00 1.92 3.64 -1.12 -3.38 116.57 118.21 3a12 h LYS 437 Ca 0.06 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3a12 h LYS 437 Cb 0.13 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3a12 h LYS 437 CO -0.01 0.84 -1.45 0.91 -2.27 0.00 0.00 179.45 177.48 3a12 n TRP 438 N -4.45 0.00 -0.34 1.91 8.01 -0.77 -5.08 117.44 116.72 3a12 n TRP 438 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3a12 n TRP 438 Cb 0.43 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 3a12 n TRP 438 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a12 n GLY 439 N 2.00 3.45 0.93 6.99 0.00 0.17 -2.30 105.19 116.42 3a12 n GLY 439 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3a12 n GLY 439 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a12 n HIS 440 N 13.92 0.63 -2.24 1.61 8.25 -1.26 -4.03 115.22 132.09 3a12 n HIS 440 Ca 0.00 -1.59 -0.32 0.00 -0.26 0.00 0.00 57.72 55.55 3a12 n HIS 440 Cb 0.00 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.71 3a12 n HIS 440 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3a12 s VAL 441 N -3.29 4.35 -0.39 1.59 1.01 -0.97 -4.79 120.40 117.90 3a12 s VAL 441 Ca 0.42 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 3a12 s VAL 441 Cb 0.39 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 33.22 3a12 s VAL 441 CO -0.04 -0.68 0.18 -0.89 0.00 0.00 0.00 175.10 173.68 3a12 s THR 442 N -2.63 3.63 0.45 3.92 2.01 -1.26 -4.75 115.64 117.00 3a12 s THR 442 Ca 0.60 -1.63 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 3a12 s THR 442 Cb -0.12 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 3a12 s THR 442 CO 0.35 -0.49 1.31 -2.16 -0.69 0.00 0.00 174.62 172.95 3a12 s PRO 443 N 1.29 3.74 0.00 4.92 0.04 -1.26 -4.98 135.00 138.75 3a12 s PRO 443 Ca 0.03 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3a12 s PRO 443 Cb -0.22 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3a12 s PRO 443 CO -0.01 -0.68 0.03 0.28 0.04 0.00 0.00 177.00 176.66