#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 h TYR 9 N 0.00 0.00 -0.24 9.51 0.05 -1.88 -3.02 116.97 121.39 3a12 h TYR 9 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3a12 h TYR 9 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3a12 h TYR 9 CO 0.00 0.23 0.16 -0.44 -1.05 0.00 0.00 178.16 177.06 3a12 h ASP 10 N 0.00 0.24 -0.27 3.88 3.32 -1.90 -1.82 116.42 119.86 3a12 h ASP 10 Ca -0.00 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.12 3a12 h ASP 10 Cb 0.59 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3a12 h ASP 10 CO 0.03 0.17 0.24 0.22 -1.72 0.00 0.00 179.24 178.18 3a12 h TYR 11 N 0.28 0.00 -0.24 4.55 3.20 -1.92 -1.63 116.97 121.21 3a12 h TYR 11 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3a12 h TYR 11 Cb 0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3a12 h TYR 11 CO -0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 3a12 n TYR 12 N -4.08 0.31 -3.88 -3.82 4.01 -0.68 -4.73 117.16 104.30 3a12 n TYR 12 Ca 0.04 -0.16 -0.36 0.00 -0.16 0.00 0.00 57.90 57.27 3a12 n TYR 12 Cb 0.39 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.69 3.91 -0.39 -0.72 1.01 -0.62 -1.35 120.40 120.55 3a12 s VAL 13 Ca 0.28 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3a12 s VAL 13 Cb 0.15 -2.80 0.16 0.00 0.00 0.00 0.00 36.38 33.89 3a12 s VAL 13 CO 0.21 0.39 0.36 -0.62 0.00 0.00 0.00 175.10 175.44 3a12 s ASP 14 N 1.43 1.36 0.11 3.32 -1.08 -0.37 -4.93 116.67 116.50 3a12 s ASP 14 Ca 0.05 -2.00 0.18 0.00 -0.52 0.00 0.00 52.55 50.26 3a12 s ASP 14 Cb -0.15 0.29 0.77 0.00 -1.46 0.00 0.00 42.92 42.38 3a12 s ASP 14 CO 0.01 -0.23 1.57 0.29 0.52 0.00 0.00 175.17 177.32 3a12 n LYS 15 N 3.83 0.08 0.00 4.34 5.02 -1.26 -1.89 118.16 128.28 3a12 n LYS 15 Ca 0.15 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 3a12 n LYS 15 Cb 0.45 -1.66 0.49 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.01 -1.08 3.71 0.72 0.00 -1.26 -4.87 105.19 102.40 3a12 n GLY 16 Ca 0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.71 3.36 -0.23 1.61 5.04 -0.79 -5.02 117.35 118.61 3a12 s TYR 17 Ca 0.21 1.24 -0.07 0.00 -2.44 0.00 0.00 57.07 56.02 3a12 s TYR 17 Cb 0.19 -3.45 -0.03 0.00 0.35 0.00 0.00 41.96 39.03 3a12 s TYR 17 CO 0.55 -1.41 0.05 -1.21 -1.34 0.00 0.00 175.55 172.19 3a12 s GLU 18 N 1.28 3.64 0.40 4.97 2.02 -1.26 -4.89 118.70 124.87 3a12 s GLU 18 Ca 0.59 -0.49 -0.23 0.00 0.02 0.00 0.00 54.97 54.85 3a12 s GLU 18 Cb -0.29 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.60 3a12 s GLU 18 CO 0.28 -0.12 1.02 -1.25 0.02 0.00 0.00 175.26 175.21 3a12 s PRO 19 N 1.41 4.19 -0.30 0.39 0.04 -1.26 -5.01 135.00 134.46 3a12 s PRO 19 Ca 0.05 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 3a12 s PRO 19 Cb -0.15 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 3a12 s PRO 19 CO 0.02 -0.10 0.75 0.45 0.04 0.00 0.00 177.00 178.17 3a12 s SER 20 N -1.71 6.62 0.63 6.66 0.15 -1.26 -4.93 113.70 119.87 3a12 s SER 20 Ca 0.58 0.61 0.33 0.00 0.70 0.00 0.00 55.95 58.17 3a12 s SER 20 Cb -0.19 -2.39 1.82 0.00 -1.71 0.00 0.00 66.02 63.55 3a12 s SER 20 CO 0.24 -0.58 2.09 0.11 1.20 0.00 0.00 173.24 176.30 3a12 h LYS 21 N 8.12 0.00 0.00 5.44 1.57 -1.95 -0.67 116.57 129.09 3a12 h LYS 21 Ca -0.25 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 3a12 h LYS 21 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3a12 h LYS 21 CO 0.86 0.00 -1.87 1.63 -0.57 0.00 0.00 179.45 179.50 3a12 n LYS 22 N -3.33 0.65 -0.00 3.15 4.76 -1.26 -4.56 118.16 117.57 3a12 n LYS 22 Ca -0.00 -0.11 0.03 0.00 -2.87 0.00 0.00 58.31 55.37 3a12 n LYS 22 Cb 0.31 -1.58 -0.05 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 -2.42 2.30 -4.59 1.97 1.74 -0.83 -4.67 116.66 110.16 3a12 n ARG 23 Ca -0.07 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.63 3a12 n ARG 23 Cb 0.66 -1.01 -0.12 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.29 4.57 0.08 0.55 1.01 -0.32 -1.06 116.67 119.21 3a12 s ASP 24 Ca -0.00 -0.11 -0.24 0.00 0.71 0.00 0.00 52.55 52.90 3a12 s ASP 24 Cb 0.05 -1.42 -0.06 0.00 1.01 0.00 0.00 42.92 42.50 3a12 s ASP 24 CO 0.29 0.27 0.74 -0.63 0.21 0.00 0.00 175.17 176.06 3a12 s ILE 25 N -0.25 4.64 -0.17 0.77 1.01 0.18 -4.07 121.20 123.29 3a12 s ILE 25 Ca 0.03 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.29 3a12 s ILE 25 Cb -0.13 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.27 3a12 s ILE 25 CO 0.03 0.43 -0.20 -0.63 0.00 0.00 0.00 174.94 174.57 3a12 s ILE 26 N -0.47 2.14 -0.19 2.92 1.01 -1.02 -0.06 121.20 125.54 3a12 s ILE 26 Ca 0.36 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3a12 s ILE 26 Cb -0.21 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3a12 s ILE 26 CO 0.23 0.54 0.30 0.00 0.00 0.00 0.00 174.94 176.01 3a12 s ALA 27 N 1.16 3.58 -0.36 9.38 0.00 0.23 -0.63 121.76 135.12 3a12 s ALA 27 Ca 0.02 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 3a12 s ALA 27 Cb -0.14 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 3a12 s ALA 27 CO -0.09 -0.11 0.24 0.08 0.00 0.00 0.00 175.76 175.87 3a12 s VAL 28 N 0.90 5.09 -0.03 0.00 1.01 -0.20 -1.27 120.40 125.90 3a12 s VAL 28 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3a12 s VAL 28 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3a12 s VAL 28 CO 0.05 -0.11 -0.10 -0.36 0.00 0.00 0.00 175.10 174.58 3a12 s PHE 29 N 1.67 2.82 -0.46 5.22 0.08 -0.08 0.83 117.98 128.05 3a12 s PHE 29 Ca 0.05 -0.07 -0.20 0.00 0.12 0.00 0.00 56.93 56.83 3a12 s PHE 29 Cb -0.18 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3a12 s PHE 29 CO 0.09 0.29 0.63 0.50 -0.10 0.00 0.00 175.22 176.63 3a12 s ARG 30 N -1.01 3.20 -0.24 0.44 3.52 0.89 -0.36 118.95 125.39 3a12 s ARG 30 Ca 0.14 -0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 55.07 3a12 s ARG 30 Cb -0.11 -4.01 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 3a12 s ARG 30 CO 0.03 -1.09 0.08 0.08 -0.81 0.00 0.00 175.30 173.60 3a12 s VAL 31 N 2.73 4.50 -0.40 7.11 1.01 0.13 -1.59 120.40 133.88 3a12 s VAL 31 Ca 0.19 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3a12 s VAL 31 Cb -0.16 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.20 3a12 s VAL 31 CO 0.16 0.35 0.22 -0.89 0.00 0.00 0.00 175.10 174.94 3a12 s THR 32 N 1.43 4.09 0.50 3.92 2.01 -0.54 -0.62 115.64 126.43 3a12 s THR 32 Ca 0.06 -1.37 -0.22 0.00 0.31 0.00 0.00 61.69 60.46 3a12 s THR 32 Cb -0.15 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 3a12 s THR 32 CO 0.04 -0.44 1.29 -2.84 -0.69 0.00 0.00 174.62 171.97 3a12 s PRO 33 N 1.40 3.42 0.78 4.92 0.02 -1.26 0.46 135.00 144.74 3a12 s PRO 33 Ca 0.02 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 62.99 3a12 s PRO 33 Cb -0.22 -2.35 0.06 0.00 0.02 0.00 0.00 34.50 32.01 3a12 s PRO 33 CO 0.02 -0.91 1.12 0.00 -0.33 0.00 0.00 177.00 176.90 3a12 s ALA 34 N -1.39 2.12 -0.05 -1.55 0.00 -0.62 -4.24 121.76 116.03 3a12 s ALA 34 Ca 0.68 0.45 -0.38 0.00 0.00 0.00 0.00 51.96 52.70 3a12 s ALA 34 Cb -0.36 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 3a12 s ALA 34 CO 0.43 -1.89 1.49 0.39 0.00 0.00 0.00 175.76 176.18 3a12 n GLU 35 N -3.38 1.13 -0.48 0.00 -0.58 -1.26 -1.48 120.64 114.59 3a12 n GLU 35 Ca 0.10 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 3a12 n GLU 35 Cb 0.52 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 3a12 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a12 n GLY 36 N 3.13 0.93 3.60 0.62 0.00 -1.26 -5.05 105.19 107.15 3a12 n GLY 36 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.04 2.93 0.75 1.61 2.02 -0.55 -5.12 117.35 115.96 3a12 s TYR 37 Ca 0.00 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 3a12 s TYR 37 Cb 0.00 -1.68 0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3a12 s TYR 37 CO 0.00 0.36 1.09 0.95 -1.57 0.00 0.00 175.55 176.37 3a12 s THR 38 N -0.89 3.42 0.44 -0.71 -4.23 -1.26 -4.69 115.64 107.71 3a12 s THR 38 Ca 0.14 0.46 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 3a12 s THR 38 Cb -0.11 -3.25 0.20 0.00 1.34 0.00 0.00 72.50 70.67 3a12 s THR 38 CO 0.04 -0.60 2.00 -0.29 -0.54 0.00 0.00 174.62 175.23 3a12 h ILE 39 N -0.91 1.12 -0.10 2.99 6.09 -1.98 -2.22 117.51 122.50 3a12 h ILE 39 Ca -0.46 -0.54 -0.16 0.00 -1.37 0.00 0.00 64.86 62.33 3a12 h ILE 39 Cb 1.25 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.70 3a12 h ILE 39 CO 0.59 0.16 -0.63 -0.33 -3.07 0.00 0.00 178.15 174.88 3a12 h GLU 40 N 0.12 0.38 -0.51 2.19 3.07 -1.98 0.36 114.58 118.21 3a12 h GLU 40 Ca 0.03 -0.27 -0.11 0.00 -0.50 0.00 0.00 59.36 58.51 3a12 h GLU 40 Cb 0.26 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3a12 h GLU 40 CO 0.01 0.89 -0.12 1.96 -1.40 0.00 0.00 179.01 180.35 3a12 h GLN 41 N 0.28 0.97 -0.03 2.33 4.20 -1.85 -1.13 115.11 119.87 3a12 h GLN 41 Ca -0.01 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 3a12 h GLN 41 Cb 1.17 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3a12 h GLN 41 CO 0.11 1.02 -0.13 0.00 -0.67 0.00 0.00 178.83 179.16 3a12 h ALA 42 N 0.99 0.06 -0.51 3.87 0.00 -1.26 -2.75 119.26 119.66 3a12 h ALA 42 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3a12 h ALA 42 Cb 0.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3a12 h ALA 42 CO 0.05 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.55 3a12 h ALA 43 N 0.39 0.65 -0.79 0.00 0.00 -0.98 0.17 119.26 118.70 3a12 h ALA 43 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3a12 h ALA 43 Cb 0.78 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3a12 h ALA 43 CO 0.03 0.17 0.52 0.78 0.00 0.00 0.00 179.25 180.75 3a12 h GLY 44 N 0.67 1.11 1.05 0.00 0.00 -1.29 -0.17 103.07 104.46 3a12 h GLY 44 Ca 0.18 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3a12 h GLY 44 CO -0.03 0.33 -0.36 0.00 0.00 0.00 0.00 176.54 176.48 3a12 h ALA 45 N 1.54 0.48 -0.18 3.60 0.00 -0.99 -1.05 119.26 122.67 3a12 h ALA 45 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a12 h ALA 45 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3a12 h ALA 45 CO -0.09 0.56 0.07 0.28 0.00 0.00 0.00 179.25 180.07 3a12 h VAL 46 N 0.60 0.97 -0.47 0.00 2.07 -0.42 -0.25 116.25 118.74 3a12 h VAL 46 Ca 0.05 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3a12 h VAL 46 Cb 0.95 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3a12 h VAL 46 CO 0.09 0.03 -0.06 0.00 0.02 0.00 0.00 177.57 177.65 3a12 h ALA 47 N 1.10 0.64 0.09 1.67 0.00 -0.99 -1.56 119.26 120.22 3a12 h ALA 47 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a12 h ALA 47 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a12 h ALA 47 CO -0.07 0.50 -0.04 0.00 0.00 0.00 0.00 179.25 179.64 3a12 h ALA 48 N 0.90 -0.12 0.00 0.00 0.00 -1.11 -2.67 119.26 116.26 3a12 h ALA 48 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 48 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3a12 h ALA 48 CO 0.04 -0.56 0.00 0.93 0.00 0.00 0.00 179.25 179.66 3a12 h GLU 49 N -0.14 0.00 -0.19 0.00 4.39 -0.93 0.86 114.58 118.57 3a12 h GLU 49 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3a12 h GLU 49 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3a12 h GLU 49 CO 0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.74 3a12 n SER 50 N -2.71 2.46 0.00 1.42 3.41 -0.60 -4.78 113.62 112.82 3a12 n SER 50 Ca 0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 3a12 n SER 50 Cb 0.37 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.86 0.00 0.00 4.04 3.41 -0.80 -4.52 113.62 116.62 3a12 n SER 51 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3a12 n SER 51 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.76 -2.74 6.66 -2.24 -1.14 -5.04 114.28 110.54 3a12 n THR 52 Ca 0.00 -0.84 -0.12 0.00 -2.27 0.00 0.00 64.05 60.81 3a12 n THR 52 Cb 0.00 0.63 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.38 1.33 3.49 3.38 0.00 0.23 -5.05 105.19 108.19 3a12 n GLY 53 Ca 0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 3a12 n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a12 s THR 54 N -1.42 0.00 -0.24 2.61 -1.32 -1.26 -4.74 115.64 109.28 3a12 s THR 54 Ca 0.37 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.14 3a12 s THR 54 Cb -0.03 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.29 3a12 s THR 54 CO 0.24 0.00 1.83 4.11 -2.21 0.00 0.00 174.62 178.59 3a12 h TRP 55 N 2.32 0.00 -3.19 9.09 5.08 -2.00 -3.45 115.95 123.81 3a12 h TRP 55 Ca -0.27 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.31 3a12 h TRP 55 Cb 1.23 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.25 3a12 h TRP 55 CO 0.28 0.00 -0.68 -0.08 -1.28 0.00 0.00 178.44 176.68 3a12 s THR 56 N -3.44 1.24 0.82 0.12 -1.32 -1.26 -4.75 115.64 107.05 3a12 s THR 56 Ca 0.04 -2.07 -0.12 0.00 -1.21 0.00 0.00 61.69 58.33 3a12 s THR 56 Cb 0.09 -2.19 0.09 0.00 -1.51 0.00 0.00 72.50 68.98 3a12 s THR 56 CO 0.51 -0.47 1.14 0.42 -2.21 0.00 0.00 174.62 174.01 3a12 s THR 57 N -3.28 2.52 0.32 5.08 -4.23 -1.26 -4.88 115.64 109.90 3a12 s THR 57 Ca 0.25 0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.98 3a12 s THR 57 Cb 0.04 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3a12 s THR 57 CO 0.07 -0.20 0.13 -0.22 -0.54 0.00 0.00 174.62 173.86 3a12 s LEU 58 N -6.00 1.80 -0.06 4.79 0.20 -1.26 -5.14 118.68 113.01 3a12 s LEU 58 Ca 0.67 -1.52 -0.18 0.00 0.69 0.00 0.00 54.13 53.79 3a12 s LEU 58 Cb -0.23 0.02 -0.05 0.00 -0.43 0.00 0.00 46.19 45.50 3a12 s LEU 58 CO 0.54 -0.83 0.48 -0.47 -0.29 0.00 0.00 176.35 175.78 3a12 s TYR 59 N -3.51 3.61 -0.90 5.38 5.04 -1.26 -5.02 117.35 120.69 3a12 s TYR 59 Ca 0.34 0.98 -0.22 0.00 -2.44 0.00 0.00 57.07 55.73 3a12 s TYR 59 Cb 0.06 -2.48 0.07 0.00 0.35 0.00 0.00 41.96 39.95 3a12 s TYR 59 CO 0.16 0.35 1.26 -1.25 -1.34 0.00 0.00 175.55 174.73 3a12 s PRO 60 N -0.05 3.46 0.00 4.97 0.04 -1.26 -4.75 135.00 137.41 3a12 s PRO 60 Ca 0.26 -1.12 0.02 0.00 0.04 0.00 0.00 61.00 60.20 3a12 s PRO 60 Cb -0.16 -4.88 0.04 0.00 0.04 0.00 0.00 34.50 29.54 3a12 s PRO 60 CO 0.12 -2.02 0.94 -2.67 0.04 0.00 0.00 177.00 173.42 3a12 n TRP 61 N 8.13 0.06 -4.08 0.56 4.27 -1.26 -5.04 117.44 120.08 3a12 n TRP 61 Ca 0.20 -0.40 -0.07 0.00 -3.89 0.00 0.00 57.50 53.35 3a12 n TRP 61 Cb 0.49 -0.04 -0.10 0.00 -1.36 0.00 0.00 31.31 30.31 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 -0.82 0.50 0.05 -2.67 -0.85 -1.26 -5.11 117.35 107.19 3a12 s TYR 62 Ca 0.03 -1.05 -0.31 0.00 -0.52 0.00 0.00 57.07 55.23 3a12 s TYR 62 Cb 0.02 -0.37 -0.07 0.00 0.38 0.00 0.00 41.96 41.91 3a12 s TYR 62 CO 0.02 -0.39 1.56 -2.00 -1.52 0.00 0.00 175.55 173.22 3a12 s GLU 63 N -3.92 4.23 0.13 -3.49 2.12 -1.26 -4.89 118.70 111.62 3a12 s GLU 63 Ca 0.07 2.20 -0.10 0.00 0.36 0.00 0.00 54.97 57.49 3a12 s GLU 63 Cb 0.08 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 3a12 s GLU 63 CO -0.10 -0.67 1.39 0.37 -0.54 0.00 0.00 175.26 175.71 3a12 h GLN 64 N 8.10 0.80 -0.80 4.30 5.75 -1.99 -2.91 115.11 128.36 3a12 h GLN 64 Ca -0.41 -0.56 -0.02 0.00 -0.15 0.00 0.00 58.65 57.52 3a12 h GLN 64 Cb 1.19 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.79 3a12 h GLN 64 CO 0.92 1.18 0.42 0.93 -2.65 0.00 0.00 178.83 179.63 3a12 h GLU 65 N 0.59 1.13 -0.11 1.69 3.07 -1.99 -0.33 114.58 118.63 3a12 h GLU 65 Ca -0.01 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 3a12 h GLU 65 Cb 1.24 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3a12 h GLU 65 CO 0.13 0.84 0.04 -0.09 -1.40 0.00 0.00 179.01 178.54 3a12 h ARG 66 N 1.12 0.16 0.02 2.33 2.43 -1.95 -0.41 114.38 118.09 3a12 h ARG 66 Ca 0.28 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 3a12 h ARG 66 Cb 0.06 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3a12 h ARG 66 CO -0.04 0.28 -0.36 2.35 -1.51 0.00 0.00 179.97 180.68 3a12 h TRP 67 N 0.02 -1.01 -0.96 2.20 7.01 -1.28 -2.16 115.95 119.76 3a12 h TRP 67 Ca 0.04 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.12 3a12 h TRP 67 Cb 0.18 0.44 -0.06 0.00 -2.10 0.00 0.00 29.16 27.62 3a12 h TRP 67 CO -0.01 -0.45 0.62 0.00 -2.79 0.00 0.00 178.44 175.80 3a12 h ALA 68 N 0.10 1.31 0.00 2.65 0.00 -0.97 -1.86 119.26 120.50 3a12 h ALA 68 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a12 h ALA 68 Cb 0.61 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3a12 h ALA 68 CO -0.28 0.43 -0.08 0.22 0.00 0.00 0.00 179.25 179.55 3a12 h ASP 69 N 1.15 0.00 -0.01 0.00 3.58 -0.46 -2.96 116.42 117.71 3a12 h ASP 69 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3a12 h ASP 69 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 3a12 h ASP 69 CO -0.16 0.08 -0.52 0.18 -2.88 0.00 0.00 179.24 175.94 3a12 n LEU 70 N -4.20 1.93 -4.75 2.28 4.77 -0.73 -4.86 117.00 111.44 3a12 n LEU 70 Ca -0.03 -0.74 -0.41 0.00 -0.03 0.00 0.00 56.01 54.81 3a12 n LEU 70 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3a12 n LEU 70 CO 0.33 0.37 0.81 -0.44 -1.33 0.00 0.00 177.39 177.12 3a12 s SER 71 N -2.50 7.24 0.70 -1.43 0.01 -0.98 -4.72 113.70 112.01 3a12 s SER 71 Ca 0.17 2.23 -0.11 0.00 1.31 0.00 0.00 55.95 59.55 3a12 s SER 71 Cb 0.18 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.80 3a12 s SER 71 CO 0.59 -0.20 1.07 0.00 0.41 0.00 0.00 173.24 175.11 3a12 s ALA 72 N -0.78 2.71 -0.09 1.44 0.00 -1.26 -4.81 121.76 118.97 3a12 s ALA 72 Ca 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 3a12 s ALA 72 Cb -0.32 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3a12 s ALA 72 CO 0.39 -1.20 -0.04 0.15 0.00 0.00 0.00 175.76 175.07 3a12 s LYS 73 N -5.14 1.04 -0.39 0.00 1.02 -0.56 -4.73 119.74 110.98 3a12 s LYS 73 Ca 0.58 -0.07 -0.29 0.00 0.02 0.00 0.00 55.97 56.21 3a12 s LYS 73 Cb -0.13 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.98 3a12 s LYS 73 CO 0.54 -0.26 1.10 0.00 -0.92 0.00 0.00 175.35 175.81 3a12 s ALA 74 N 1.72 3.35 0.00 5.17 0.00 -0.46 -0.62 121.76 130.92 3a12 s ALA 74 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3a12 s ALA 74 Cb -0.13 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3a12 s ALA 74 CO -0.06 -1.82 0.00 2.48 0.00 0.00 0.00 175.76 176.36 3a12 n TYR 75 N 7.29 0.00 -4.41 0.00 0.18 -0.12 -1.24 117.16 118.86 3a12 n TYR 75 Ca 0.12 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.67 3a12 n TYR 75 Cb 0.48 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.28 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 1.39 -0.14 9.48 2.15 -1.18 -4.41 116.67 122.47 3a12 s ASP 76 Ca 0.00 -0.22 0.01 0.00 0.43 0.00 0.00 52.55 52.76 3a12 s ASP 76 Cb 0.00 -0.64 0.02 0.00 -0.30 0.00 0.00 42.92 42.00 3a12 s ASP 76 CO 0.00 0.00 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.50 3a12 s PHE 77 N 0.72 2.12 -0.20 -5.34 0.08 -1.26 -0.82 117.98 113.28 3a12 s PHE 77 Ca -0.13 -1.16 0.01 0.00 0.12 0.00 0.00 56.93 55.78 3a12 s PHE 77 Cb -0.15 -1.56 0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3a12 s PHE 77 CO 0.02 -0.63 -0.14 -1.58 -0.10 0.00 0.00 175.22 172.79 3a12 s HIS 78 N 1.39 2.67 -0.14 0.36 5.65 0.11 -4.97 115.29 120.37 3a12 s HIS 78 Ca 0.03 -1.72 -0.29 0.00 0.25 0.00 0.00 55.06 53.32 3a12 s HIS 78 Cb -0.13 -1.77 -0.04 0.00 -1.18 0.00 0.00 32.58 29.45 3a12 s HIS 78 CO -0.09 -0.78 1.63 0.34 -0.65 0.00 0.00 174.74 175.19 3a12 s ASP 79 N 1.31 6.52 0.28 9.88 2.15 -1.26 -0.27 116.67 135.29 3a12 s ASP 79 Ca -0.00 1.93 0.24 0.00 0.43 0.00 0.00 52.55 55.15 3a12 s ASP 79 Cb -0.16 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.36 3a12 s ASP 79 CO -0.09 -1.09 1.52 0.24 -0.17 0.00 0.00 175.17 175.58 3a12 h MET 80 N 10.14 0.00 0.00 4.34 2.86 -1.73 -3.48 114.93 127.05 3a12 h MET 80 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3a12 h MET 80 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3a12 h MET 80 CO 0.98 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.36 3a12 n GLY 81 N 1.22 1.39 0.83 8.32 0.00 -1.26 -4.90 105.19 110.80 3a12 n GLY 81 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 2.92 0.00 1.61 5.68 -1.26 -4.91 116.55 120.58 3a12 n ASP 82 Ca 0.00 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3a12 n ASP 82 Cb 0.00 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 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 1.01 0.50 3.68 6.12 0.00 -1.26 -5.09 105.19 110.15 3a12 n GLY 83 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.05 4.54 0.02 1.61 1.04 -1.26 -4.19 113.70 113.41 3a12 s SER 84 Ca 0.00 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.67 3a12 s SER 84 Cb 0.00 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.37 3a12 s SER 84 CO 0.00 -0.18 -0.05 0.26 0.98 0.00 0.00 173.24 174.25 3a12 s TRP 85 N -2.41 0.44 -0.28 5.02 0.52 0.21 -1.86 118.94 120.58 3a12 s TRP 85 Ca 0.35 -0.36 -0.21 0.00 0.02 0.00 0.00 56.10 55.89 3a12 s TRP 85 Cb -0.03 -0.27 -0.01 0.00 -1.15 0.00 0.00 33.47 32.00 3a12 s TRP 85 CO 0.21 -0.09 0.68 0.42 0.02 0.00 0.00 176.95 178.20 3a12 s ILE 86 N -0.97 4.92 -0.11 2.03 -1.09 0.63 0.23 121.20 126.84 3a12 s ILE 86 Ca -0.08 1.11 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 3a12 s ILE 86 Cb -0.07 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 3a12 s ILE 86 CO -0.00 -0.09 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.77 3a12 s VAL 87 N 2.66 2.75 -0.16 2.92 1.01 0.52 0.06 120.40 130.17 3a12 s VAL 87 Ca 0.28 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3a12 s VAL 87 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3a12 s VAL 87 CO 0.10 0.54 0.05 -0.13 0.00 0.00 0.00 175.10 175.66 3a12 s ARG 88 N 0.17 3.72 -0.04 2.72 0.52 -0.00 -0.90 118.95 125.14 3a12 s ARG 88 Ca -0.09 -0.35 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3a12 s ARG 88 Cb -0.16 -3.11 -0.00 0.00 0.52 0.00 0.00 34.95 32.21 3a12 s ARG 88 CO 0.06 0.39 -0.16 0.42 0.02 0.00 0.00 175.30 176.03 3a12 s ILE 89 N 0.02 1.36 -0.10 1.52 1.01 -0.39 -0.95 121.20 123.66 3a12 s ILE 89 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3a12 s ILE 89 Cb -0.12 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3a12 s ILE 89 CO 0.01 0.39 -0.09 0.00 0.00 0.00 0.00 174.94 175.25 3a12 s ALA 90 N 0.01 2.82 -0.06 9.38 0.00 0.20 -0.60 121.76 133.51 3a12 s ALA 90 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3a12 s ALA 90 Cb -0.11 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.78 3a12 s ALA 90 CO 0.02 0.40 -0.14 0.71 0.00 0.00 0.00 175.76 176.74 3a12 s TYR 91 N -0.21 1.57 0.27 0.00 2.02 0.92 -1.49 117.35 120.43 3a12 s TYR 91 Ca 0.02 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 3a12 s TYR 91 Cb -0.13 -1.10 -0.10 0.00 -0.40 0.00 0.00 41.96 40.23 3a12 s TYR 91 CO 0.03 -0.23 1.26 -1.25 -1.57 0.00 0.00 175.55 173.78 3a12 s PRO 92 N 0.38 4.44 0.54 -1.71 0.04 -1.26 0.47 135.00 137.90 3a12 s PRO 92 Ca -0.10 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.22 3a12 s PRO 92 Cb -0.14 -3.14 1.42 0.00 0.04 0.00 0.00 34.50 32.68 3a12 s PRO 92 CO 0.03 -0.11 2.12 0.27 0.04 0.00 0.00 177.00 179.35 3a12 h PHE 93 N 4.16 0.00 -0.09 0.56 -5.15 -1.45 -1.84 116.94 113.13 3a12 h PHE 93 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 3a12 h PHE 93 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 3a12 h PHE 93 CO 0.59 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 174.51 3a12 n HIS 94 N -4.31 0.13 0.33 6.09 1.44 -1.26 -2.53 115.22 115.10 3a12 n HIS 94 Ca 0.00 -0.06 0.12 0.00 -2.01 0.00 0.00 57.72 55.77 3a12 n HIS 94 Cb 0.23 -0.01 0.19 0.00 0.12 0.00 0.00 29.99 30.53 3a12 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a12 h ALA 95 N 3.13 0.86 -3.31 1.59 0.00 -1.67 -3.46 119.26 116.39 3a12 h ALA 95 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3a12 h ALA 95 Cb 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 3a12 h ALA 95 CO 0.00 0.00 -0.64 -0.06 0.00 0.00 0.00 179.25 178.55 3a12 s PHE 96 N -3.21 3.07 0.27 0.00 0.08 -1.05 -5.09 117.98 112.06 3a12 s PHE 96 Ca 0.06 0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 3a12 s PHE 96 Cb 0.08 -1.61 -0.12 0.00 -0.57 0.00 0.00 43.02 40.80 3a12 s PHE 96 CO 0.68 0.48 1.51 -1.91 -0.10 0.00 0.00 175.22 175.88 3a12 n GLU 97 N 0.87 2.42 -1.85 0.44 2.13 -1.26 -4.95 120.64 118.44 3a12 n GLU 97 Ca -0.12 0.86 -0.42 0.00 0.66 0.00 0.00 57.16 58.15 3a12 n GLU 97 Cb 0.52 -2.58 -0.02 0.00 0.27 0.00 0.00 31.44 29.63 3a12 n GLU 97 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3a12 s GLU 98 N -0.54 4.17 -1.41 5.31 2.12 -1.26 -3.38 118.70 123.71 3a12 s GLU 98 Ca 0.65 2.49 -0.10 0.00 0.36 0.00 0.00 54.97 58.36 3a12 s GLU 98 Cb -0.56 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 30.79 3a12 s GLU 98 CO 0.50 -0.60 1.13 0.00 -0.54 0.00 0.00 175.26 175.75 3a12 n ALA 99 N 2.73 -1.31 -3.65 6.30 0.00 -1.26 -4.95 120.51 118.37 3a12 n ALA 99 Ca 0.10 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.60 3a12 n ALA 99 Cb 0.38 -5.20 -0.11 0.00 0.00 0.00 0.00 19.45 14.51 3a12 n ALA 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a12 s ASN 100 N -3.33 3.18 0.15 0.00 3.84 -1.22 -4.98 114.94 112.59 3a12 s ASN 100 Ca 0.60 -3.24 -0.16 0.00 0.21 0.00 0.00 52.86 50.27 3a12 s ASN 100 Cb -0.28 -1.00 0.01 0.00 -0.55 0.00 0.00 41.25 39.43 3a12 s ASN 100 CO 0.76 -0.16 1.81 0.25 -2.79 0.00 0.00 177.10 176.96 3a12 h LEU 101 N 5.82 0.42 -0.76 3.21 5.85 -1.92 -1.91 115.31 126.01 3a12 h LEU 101 Ca 0.16 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.99 3a12 h LEU 101 Cb 0.86 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 3a12 h LEU 101 CO 0.52 0.30 0.37 -0.65 -0.34 0.00 0.00 178.44 178.64 3a12 h PRO 102 N 0.50 0.57 -0.65 5.25 0.11 -1.93 -0.18 132.00 135.66 3a12 h PRO 102 Ca 0.14 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3a12 h PRO 102 Cb -0.04 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 3a12 h PRO 102 CO -0.04 0.38 0.26 0.78 -0.21 0.00 0.00 178.00 179.17 3a12 h GLY 103 N 0.59 1.03 0.99 -0.55 0.00 -1.89 -1.20 103.07 102.03 3a12 h GLY 103 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3a12 h GLY 103 CO -0.32 0.53 0.12 -2.00 0.00 0.00 0.00 176.54 174.87 3a12 h LEU 104 N 0.91 0.23 -1.20 3.11 6.46 -0.65 -2.66 115.31 121.50 3a12 h LEU 104 Ca 0.22 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 3a12 h LEU 104 Cb 0.20 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 3a12 h LEU 104 CO -0.02 0.19 0.56 -0.07 -0.62 0.00 0.00 178.44 178.48 3a12 h LEU 105 N 0.25 0.87 -2.24 2.25 3.38 -0.89 -0.23 115.31 118.70 3a12 h LEU 105 Ca 0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3a12 h LEU 105 Cb -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3a12 h LEU 105 CO -0.01 0.58 0.05 0.00 0.09 0.00 0.00 178.44 179.14 3a12 h ALA 106 N 1.52 1.79 0.00 1.53 0.00 -0.87 0.27 119.26 123.50 3a12 h ALA 106 Ca 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3a12 h ALA 106 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3a12 h ALA 106 CO -0.12 -0.08 -0.51 1.03 0.00 0.00 0.00 179.25 179.57 3a12 h SER 107 N 0.00 0.00 0.26 0.00 0.87 -0.94 -3.25 113.55 110.50 3a12 h SER 107 Ca 0.03 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3a12 h SER 107 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3a12 h SER 107 CO -0.00 0.95 -0.38 -0.38 -0.53 0.00 0.00 176.83 176.49 3a12 n ILE 108 N -4.60 0.00 -2.63 2.23 -0.00 -0.37 -4.00 119.36 109.98 3a12 n ILE 108 Ca -0.13 -0.10 0.02 0.00 -0.00 0.00 0.00 62.75 62.54 3a12 n ILE 108 Cb 0.36 0.48 0.03 0.00 -0.00 0.00 0.00 39.64 40.51 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 -0.84 2.50 -2.13 -1.39 0.00 0.94 -5.02 120.51 114.57 3a12 n ALA 109 Ca 0.10 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 51.09 3a12 n ALA 109 Cb 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.00 0.57 0.26 0.00 0.00 -1.15 -4.83 105.19 100.04 3a12 n GLY 110 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -0.91 1.61 2.35 -1.87 -3.13 115.58 113.64 3a12 h ASN 111 Ca 0.00 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 56.00 3a12 h ASN 111 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3a12 h ASN 111 CO 0.00 0.02 0.64 0.16 -1.65 0.00 0.00 177.43 176.59 3a12 h ILE 112 N 0.00 0.58 0.00 2.81 3.07 -1.89 0.59 117.51 122.67 3a12 h ILE 112 Ca -0.00 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.37 3a12 h ILE 112 Cb 0.03 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 37.03 3a12 h ILE 112 CO 0.00 0.02 0.00 -0.26 -1.05 0.00 0.00 178.15 176.86 3a12 h PHE 113 N 0.12 0.00 -0.04 0.16 0.04 -1.89 -2.93 116.94 112.40 3a12 h PHE 113 Ca 0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.22 3a12 h PHE 113 Cb 1.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.72 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 -0.60 0.27 3.73 -1.45 0.00 0.20 -4.87 105.19 102.48 3a12 n GLY 114 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.31 4.27 0.53 1.61 -1.94 -1.11 -4.88 119.30 116.47 3a12 s MET 115 Ca 0.19 2.26 0.19 0.00 -1.71 0.00 0.00 55.69 56.63 3a12 s MET 115 Cb 0.13 -3.16 1.37 0.00 2.01 0.00 0.00 34.83 35.19 3a12 s MET 115 CO 0.20 -0.48 2.15 0.87 -0.01 0.00 0.00 175.02 177.76 3a12 h LYS 116 N 6.03 0.00 0.00 2.03 1.57 -1.94 -2.62 116.57 121.64 3a12 h LYS 116 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3a12 h LYS 116 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3a12 h LYS 116 CO 0.84 0.03 0.00 -0.09 -0.57 0.00 0.00 179.45 179.66 3a12 h ARG 117 N 0.00 0.00 -6.66 3.15 2.43 -1.97 -3.40 114.38 107.92 3a12 h ARG 117 Ca -0.00 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.47 3a12 h ARG 117 Cb 0.05 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.34 3a12 h ARG 117 CO 0.00 0.00 -0.87 0.14 -1.51 0.00 0.00 179.97 177.74 3a12 s VAL 118 N -3.55 2.26 0.05 0.20 -7.23 -0.99 -1.59 120.40 109.56 3a12 s VAL 118 Ca 0.00 -1.25 0.09 0.00 -1.81 0.00 0.00 61.98 59.01 3a12 s VAL 118 Cb 0.08 -1.87 -0.15 0.00 0.56 0.00 0.00 36.38 35.00 3a12 s VAL 118 CO 0.33 0.43 1.27 0.50 -0.31 0.00 0.00 175.10 177.31 3a12 h LYS 119 N 4.96 0.00 -1.95 4.82 3.64 -0.17 -3.43 116.57 124.45 3a12 h LYS 119 Ca -0.46 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3a12 h LYS 119 Cb 1.14 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.76 3a12 h LYS 119 CO 0.45 0.85 0.21 0.20 -2.27 0.00 0.00 179.45 178.90 3a12 s GLY 120 N -4.68 -0.52 -0.15 5.01 0.00 -1.09 -5.00 107.32 100.88 3a12 s GLY 120 Ca 0.01 1.65 -0.04 0.00 0.00 0.00 0.00 44.72 46.34 3a12 s GLY 120 CO 0.80 1.24 0.25 -2.27 0.00 0.00 0.00 173.10 173.13 3a12 s LEU 121 N -0.65 -0.25 -0.18 0.66 2.96 -1.10 -1.47 118.68 118.65 3a12 s LEU 121 Ca -0.06 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3a12 s LEU 121 Cb -0.02 0.61 0.03 0.00 0.50 0.00 0.00 46.19 47.31 3a12 s LEU 121 CO 0.06 -0.27 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.06 3a12 s ARG 122 N 2.39 2.64 -0.38 1.98 3.52 -0.62 -0.85 118.95 127.63 3a12 s ARG 122 Ca 0.04 -0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 54.54 3a12 s ARG 122 Cb -0.13 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.79 3a12 s ARG 122 CO -0.10 -0.28 1.63 -1.17 -0.81 0.00 0.00 175.30 174.58 3a12 s LEU 123 N 1.33 3.53 -0.13 -0.88 2.96 -0.23 -0.08 118.68 125.18 3a12 s LEU 123 Ca 0.03 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3a12 s LEU 123 Cb -0.14 -3.48 -0.24 0.00 0.50 0.00 0.00 46.19 42.83 3a12 s LEU 123 CO -0.11 -1.62 0.31 -0.62 -1.32 0.00 0.00 176.35 172.99 3a12 n GLU 124 N 8.31 0.71 -3.69 1.98 -0.58 0.24 -1.32 120.64 126.30 3a12 n GLU 124 Ca 0.20 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 57.06 3a12 n GLU 124 Cb 0.47 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 -6.66 -0.21 -0.15 1.62 -1.08 -1.14 -4.46 116.67 104.59 3a12 s ASP 125 Ca -0.20 -0.17 -0.02 0.00 -0.52 0.00 0.00 52.55 51.63 3a12 s ASP 125 Cb 0.07 0.42 0.05 0.00 -1.46 0.00 0.00 42.92 42.00 3a12 s ASP 125 CO 0.76 -0.71 0.03 -0.22 0.52 0.00 0.00 175.17 175.54 3a12 s LEU 126 N -2.29 0.95 -0.17 -1.34 2.96 -1.26 -1.03 118.68 116.50 3a12 s LEU 126 Ca -0.02 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.15 3a12 s LEU 126 Cb 0.00 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 3a12 s LEU 126 CO -0.06 -0.27 0.44 -0.47 -1.32 0.00 0.00 176.35 174.67 3a12 s TYR 127 N 1.91 3.43 -0.18 5.38 5.04 0.20 -4.97 117.35 128.15 3a12 s TYR 127 Ca 0.01 0.74 -0.05 0.00 -2.44 0.00 0.00 57.07 55.33 3a12 s TYR 127 Cb -0.15 -2.54 -0.03 0.00 0.35 0.00 0.00 41.96 39.59 3a12 s TYR 127 CO -0.07 0.06 -0.01 -0.06 -1.34 0.00 0.00 175.55 174.13 3a12 s PHE 128 N 1.04 3.06 0.71 4.97 0.08 -1.26 -2.44 117.98 124.14 3a12 s PHE 128 Ca 0.22 -0.31 -0.14 0.00 0.12 0.00 0.00 56.93 56.82 3a12 s PHE 128 Cb -0.15 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 3a12 s PHE 128 CO 0.09 -0.09 1.13 -1.25 -0.10 0.00 0.00 175.22 174.99 3a12 s PRO 129 N 0.62 2.43 0.34 0.24 0.04 -1.26 -4.72 135.00 132.70 3a12 s PRO 129 Ca -0.01 1.43 0.13 0.00 0.04 0.00 0.00 61.00 62.60 3a12 s PRO 129 Cb -0.14 -1.90 1.05 0.00 0.04 0.00 0.00 34.50 33.55 3a12 s PRO 129 CO 0.02 -1.54 1.67 1.49 0.04 0.00 0.00 177.00 178.68 3a12 h GLU 130 N -0.39 0.33 -0.74 4.56 4.81 -1.83 0.16 114.58 121.48 3a12 h GLU 130 Ca -0.46 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 58.89 3a12 h GLU 130 Cb 1.25 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 3a12 h GLU 130 CO 0.52 0.22 0.27 -0.22 -0.73 0.00 0.00 179.01 179.06 3a12 h LYS 131 N 0.34 0.39 0.10 1.92 1.63 -1.91 -0.92 116.57 118.12 3a12 h LYS 131 Ca 0.72 -0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 60.23 3a12 h LYS 131 Cb 1.60 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 33.15 3a12 h LYS 131 CO -0.60 0.26 -1.16 -0.07 -3.45 0.00 0.00 179.45 174.43 3a12 h LEU 132 N 0.40 0.47 -1.04 5.20 4.07 -1.07 -3.22 115.31 120.12 3a12 h LEU 132 Ca 0.41 -0.46 0.07 0.00 0.08 0.00 0.00 57.88 57.98 3a12 h LEU 132 Cb 0.63 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.15 3a12 h LEU 132 CO -0.42 1.33 0.64 0.40 -1.08 0.00 0.00 178.44 179.30 3a12 h ILE 133 N 0.12 1.06 0.00 1.22 1.08 -0.66 -0.98 117.51 119.35 3a12 h ILE 133 Ca -0.12 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3a12 h ILE 133 Cb 1.85 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3a12 h ILE 133 CO 0.19 0.20 0.00 0.54 -0.69 0.00 0.00 178.15 178.40 3a12 n ARG 134 N -4.51 0.85 0.02 2.37 1.74 -0.41 -1.93 116.66 114.79 3a12 n ARG 134 Ca 0.16 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.37 3a12 n ARG 134 Cb 0.21 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.56 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 -1.03 0.06 -4.12 5.56 1.02 -0.37 -4.87 120.64 116.89 3a12 n GLU 135 Ca 0.21 0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 3a12 n GLU 135 Cb 0.11 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 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 -3.03 3.09 -0.15 -0.32 0.08 -0.81 -4.93 117.98 111.91 3a12 s PHE 136 Ca 0.12 -0.10 0.18 0.00 0.12 0.00 0.00 56.93 57.25 3a12 s PHE 136 Cb 0.17 -1.41 -0.26 0.00 -0.57 0.00 0.00 43.02 40.95 3a12 s PHE 136 CO 0.62 0.53 0.17 -0.25 -0.10 0.00 0.00 175.22 176.19 3a12 n ASP 137 N -0.96 0.27 -0.13 1.36 8.00 -1.25 -5.00 116.55 118.85 3a12 n ASP 137 Ca -0.08 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.43 3a12 n ASP 137 Cb 0.57 1.24 -0.00 0.00 -0.02 0.00 0.00 41.12 42.91 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 1.68 -2.09 3.76 0.44 0.00 -0.43 -4.71 105.19 103.85 3a12 n GLY 138 Ca -0.24 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 3a12 n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a12 s PRO 139 N -0.49 4.23 0.24 1.61 0.02 -1.24 -4.22 135.00 135.15 3a12 s PRO 139 Ca 0.00 2.38 0.05 0.00 0.02 0.00 0.00 61.00 63.46 3a12 s PRO 139 Cb 0.00 -3.05 0.25 0.00 0.02 0.00 0.00 34.50 31.72 3a12 s PRO 139 CO 0.00 -0.41 1.56 0.00 -0.33 0.00 0.00 177.00 177.82 3a12 h ALA 140 N 3.97 0.85 0.00 -1.55 0.00 -1.88 -3.39 119.26 117.26 3a12 h ALA 140 Ca -0.48 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 53.64 3a12 h ALA 140 Cb 1.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3a12 h ALA 140 CO 0.71 0.75 -1.66 1.19 0.00 0.00 0.00 179.25 180.23 3a12 n PHE 141 N -3.85 0.00 -2.65 0.00 3.72 -1.26 -4.95 117.46 108.47 3a12 n PHE 141 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3a12 n PHE 141 Cb 0.63 -0.56 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 1.95 -1.59 0.15 1.37 0.00 -1.26 -0.63 105.19 105.18 3a12 n GLY 142 Ca -0.29 -1.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.81 0.71 -0.34 -0.61 2.04 -1.41 -1.36 117.51 115.74 3a12 h ILE 143 Ca 0.02 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3a12 h ILE 143 Cb 0.79 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3a12 h ILE 143 CO 0.01 0.01 -0.09 -0.33 0.00 0.00 0.00 178.15 177.75 3a12 h GLU 144 N 0.07 -0.00 -0.26 2.37 5.08 -1.85 -0.52 114.58 119.47 3a12 h GLU 144 Ca 0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3a12 h GLU 144 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3a12 h GLU 144 CO -0.31 -0.00 -0.10 0.78 -1.00 0.00 0.00 179.01 178.38 3a12 h GLY 145 N -0.00 0.46 1.20 -3.84 0.00 -0.23 -2.12 103.07 98.54 3a12 h GLY 145 Ca 0.16 -0.30 -0.34 0.00 0.00 0.00 0.00 47.33 46.85 3a12 h GLY 145 CO -0.35 0.28 -1.54 -2.08 0.00 0.00 0.00 176.54 172.85 3a12 h VAL 146 N 0.40 1.21 -0.78 4.60 2.07 -0.81 -1.86 116.25 121.08 3a12 h VAL 146 Ca 0.08 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 3a12 h VAL 146 Cb 0.43 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 3a12 h VAL 146 CO 0.02 0.82 0.41 0.03 0.02 0.00 0.00 177.57 178.88 3a12 h ARG 147 N 0.14 1.11 -0.40 1.57 3.08 -1.04 -0.90 114.38 117.94 3a12 h ARG 147 Ca -0.27 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.55 3a12 h ARG 147 Cb 2.15 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.98 3a12 h ARG 147 CO 0.25 0.84 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.71 3a12 h LYS 148 N 1.10 0.76 -0.53 0.04 3.64 -1.41 0.51 116.57 120.67 3a12 h LYS 148 Ca 0.27 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3a12 h LYS 148 Cb 0.07 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3a12 h LYS 148 CO -0.04 0.87 0.10 1.98 -2.27 0.00 0.00 179.45 180.09 3a12 h MET 149 N 0.57 0.82 -0.02 1.90 4.05 -1.12 -2.67 114.93 118.46 3a12 h MET 149 Ca 0.11 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3a12 h MET 149 Cb 0.57 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 3a12 h MET 149 CO 0.03 0.76 -0.05 1.28 0.23 0.00 0.00 176.91 179.16 3a12 n LEU 150 N -4.26 2.00 -3.98 3.39 4.77 -0.36 -4.93 117.00 113.62 3a12 n LEU 150 Ca 0.04 -0.66 -0.26 0.00 -0.03 0.00 0.00 56.01 55.09 3a12 n LEU 150 Cb 0.24 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3a12 n LEU 150 CO 0.40 0.34 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.97 3a12 n GLU 151 N 0.49 -3.30 -3.96 3.23 1.02 0.17 -4.42 120.64 113.86 3a12 n GLU 151 Ca 0.16 0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 57.40 3a12 n GLU 151 Cb 0.44 -4.59 -0.15 0.00 -0.02 0.00 0.00 31.44 27.12 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 -3.89 1.65 -0.01 -3.67 1.01 -0.57 -4.96 121.20 110.75 3a12 s ILE 152 Ca 0.08 -1.29 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 3a12 s ILE 152 Cb -0.04 -1.88 -0.33 0.00 0.01 0.00 0.00 42.46 40.21 3a12 s ILE 152 CO 0.89 -0.08 0.90 0.11 0.00 0.00 0.00 174.94 176.76 3a12 h LYS 153 N 7.92 0.43 0.00 2.79 6.56 -1.93 -3.43 116.57 128.92 3a12 h LYS 153 Ca -0.18 -0.74 0.00 0.00 -1.06 0.00 0.00 60.65 58.67 3a12 h LYS 153 Cb 1.07 0.28 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 3a12 h LYS 153 CO 0.42 1.35 -0.43 -0.25 -2.06 0.00 0.00 179.45 178.49 3a12 n ASP 154 N -3.85 1.35 -4.72 0.86 8.00 -1.26 -5.09 116.55 111.84 3a12 n ASP 154 Ca -0.17 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 3a12 n ASP 154 Cb 1.00 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 42.23 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 -1.54 1.44 0.63 -1.24 1.70 -1.26 -4.64 118.95 114.04 3a12 s ARG 155 Ca 0.00 1.01 -0.18 0.00 -0.47 0.00 0.00 55.73 56.09 3a12 s ARG 155 Cb 0.00 -1.82 -0.02 0.00 -0.57 0.00 0.00 34.95 32.55 3a12 s ARG 155 CO 0.00 -2.17 1.26 -2.14 -1.08 0.00 0.00 175.30 171.17 3a12 s PRO 156 N -4.87 2.68 0.23 3.89 0.02 -1.18 -4.87 135.00 130.91 3a12 s PRO 156 Ca 0.63 1.96 -0.21 0.00 0.02 0.00 0.00 61.00 63.40 3a12 s PRO 156 Cb -0.19 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 3a12 s PRO 156 CO 0.57 -1.47 0.77 0.42 -0.33 0.00 0.00 177.00 176.96 3a12 s ILE 157 N -1.51 4.49 -0.03 2.83 1.01 -0.94 -4.92 121.20 122.13 3a12 s ILE 157 Ca 0.80 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.90 3a12 s ILE 157 Cb -0.34 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3a12 s ILE 157 CO 0.38 0.23 -0.09 -0.47 0.00 0.00 0.00 174.94 174.98 3a12 s TYR 158 N -1.50 0.95 0.33 3.97 5.04 -1.26 0.19 117.35 125.08 3a12 s TYR 158 Ca 0.43 -0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.70 3a12 s TYR 158 Cb -0.18 -0.68 0.02 0.00 0.35 0.00 0.00 41.96 41.48 3a12 s TYR 158 CO 0.22 -0.10 0.63 0.20 -1.34 0.00 0.00 175.55 175.16 3a12 s GLY 159 N 0.19 0.65 -0.02 8.97 0.00 -0.85 0.85 107.32 117.11 3a12 s GLY 159 Ca -0.03 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3a12 s GLY 159 CO 0.00 -0.54 -0.03 0.14 0.00 0.00 0.00 173.10 172.68 3a12 s VAL 160 N -3.12 0.33 -0.26 1.40 1.01 -0.73 -2.22 120.40 116.80 3a12 s VAL 160 Ca 0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 3a12 s VAL 160 Cb -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3a12 s VAL 160 CO 0.13 0.14 0.27 -0.69 0.00 0.00 0.00 175.10 174.95 3a12 s VAL 161 N 0.42 5.26 0.32 2.92 1.01 -1.26 -4.41 120.40 124.65 3a12 s VAL 161 Ca -0.05 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3a12 s VAL 161 Cb -0.08 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 3a12 s VAL 161 CO -0.01 0.23 1.37 -2.65 0.00 0.00 0.00 175.10 174.05 3a12 n PRO 162 N 4.97 2.24 -4.96 2.72 -0.02 -1.26 -4.54 135.00 134.15 3a12 n PRO 162 Ca -0.12 0.79 -0.27 0.00 -2.02 0.00 0.00 63.50 61.88 3a12 n PRO 162 Cb 0.51 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 3a12 n PRO 162 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a12 s LYS 163 N -1.42 1.77 0.62 -0.52 -0.14 -1.26 -3.98 119.74 114.81 3a12 s LYS 163 Ca 0.59 -0.70 -0.19 0.00 -1.36 0.00 0.00 55.97 54.31 3a12 s LYS 163 Cb -0.57 -1.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 3a12 s LYS 163 CO 0.58 0.37 1.17 -0.35 -0.76 0.00 0.00 175.35 176.35 3a12 n PRO 164 N 2.80 1.08 -0.17 -1.68 -0.04 -1.26 -5.03 135.00 130.70 3a12 n PRO 164 Ca -0.16 0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 3a12 n PRO 164 Cb 0.53 -2.39 0.08 0.00 -0.04 0.00 0.00 33.50 31.68 3a12 n PRO 164 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3a12 h LYS 165 N 0.60 0.21 -4.68 0.54 1.57 -1.96 -3.44 116.57 109.41 3a12 h LYS 165 Ca -0.50 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.00 3a12 h LYS 165 Cb 1.35 -0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.46 3a12 h LYS 165 CO 0.52 0.14 -0.63 0.14 -0.57 0.00 0.00 179.45 179.06 3a12 s VAL 166 N -6.13 0.25 0.00 0.50 -7.23 -1.26 -4.56 120.40 101.97 3a12 s VAL 166 Ca -0.13 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3a12 s VAL 166 Cb 0.17 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.66 3a12 s VAL 166 CO 0.73 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 3a12 n GLY 167 N -0.31 0.81 3.69 2.32 0.00 -1.26 -5.10 105.19 105.34 3a12 n GLY 167 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.86 0.40 1.61 -0.85 -1.26 -5.12 117.35 112.99 3a12 s TYR 168 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 3a12 s TYR 168 Cb 0.00 -1.33 0.01 0.00 0.38 0.00 0.00 41.96 41.01 3a12 s TYR 168 CO 0.00 0.55 0.55 -1.54 -1.52 0.00 0.00 175.55 173.59 3a12 s SER 169 N -3.32 5.73 0.39 -0.18 1.04 -1.26 -4.58 113.70 111.51 3a12 s SER 169 Ca 0.30 -0.35 0.10 0.00 0.48 0.00 0.00 55.95 56.48 3a12 s SER 169 Cb -0.08 -0.81 0.78 0.00 0.10 0.00 0.00 66.02 66.01 3a12 s SER 169 CO 0.20 -0.69 1.90 -0.65 0.98 0.00 0.00 173.24 174.98 3a12 h PRO 170 N 0.69 0.17 -0.28 4.02 0.11 -1.96 0.36 132.00 135.12 3a12 h PRO 170 Ca -0.41 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3a12 h PRO 170 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a12 h PRO 170 CO 0.47 0.37 -0.34 0.93 -0.21 0.00 0.00 178.00 179.21 3a12 h GLU 171 N 0.16 0.73 -0.31 1.05 3.07 -1.94 -0.16 114.58 117.18 3a12 h GLU 171 Ca 0.03 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 3a12 h GLU 171 Cb 0.44 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3a12 h GLU 171 CO 0.03 1.03 0.15 0.93 -1.40 0.00 0.00 179.01 179.75 3a12 h GLU 172 N 0.47 0.44 -0.89 2.33 5.08 -1.90 -2.71 114.58 117.41 3a12 h GLU 172 Ca 0.04 -0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 3a12 h GLU 172 Cb 0.93 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 3a12 h GLU 172 CO 0.08 0.41 0.57 0.35 -1.00 0.00 0.00 179.01 179.43 3a12 h PHE 173 N 0.36 0.79 -0.28 4.33 3.57 -0.79 -2.99 116.94 121.93 3a12 h PHE 173 Ca 0.11 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3a12 h PHE 173 Cb 0.12 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.54 3a12 h PHE 173 CO -0.02 0.28 -0.16 1.49 -2.23 0.00 0.00 178.31 177.67 3a12 h GLU 174 N 0.66 -0.13 -0.23 1.11 4.81 -0.68 0.64 114.58 120.76 3a12 h GLU 174 Ca 0.45 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.52 3a12 h GLU 174 Cb 0.77 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3a12 h GLU 174 CO -0.21 -0.08 -0.53 -0.22 -0.73 0.00 0.00 179.01 177.24 3a12 h LYS 175 N -0.13 0.77 -0.38 1.92 3.64 -1.62 -1.99 116.57 118.79 3a12 h LYS 175 Ca 0.15 -0.52 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3a12 h LYS 175 Cb 0.36 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 3a12 h LYS 175 CO -0.36 1.14 0.19 1.25 -2.27 0.00 0.00 179.45 179.40 3a12 h LEU 176 N 0.51 0.27 -0.06 5.20 5.85 -1.49 -1.36 115.31 124.23 3a12 h LEU 176 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3a12 h LEU 176 Cb 1.14 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3a12 h LEU 176 CO 0.12 0.20 0.03 0.00 -0.34 0.00 0.00 178.44 178.44 3a12 h ALA 177 N 1.20 0.07 -0.36 1.25 0.00 -0.79 -0.45 119.26 120.18 3a12 h ALA 177 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3a12 h ALA 177 Cb 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3a12 h ALA 177 CO -0.11 -0.45 0.09 -0.92 0.00 0.00 0.00 179.25 177.86 3a12 h TYR 178 N 0.06 0.15 -0.47 0.00 3.20 -1.15 -0.06 116.97 118.70 3a12 h TYR 178 Ca 0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3a12 h TYR 178 Cb 0.01 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3a12 h TYR 178 CO -0.09 0.04 0.07 -0.44 -1.64 0.00 0.00 178.16 176.10 3a12 h ASP 179 N 0.21 0.75 0.12 -2.11 3.32 -1.08 -0.88 116.42 116.76 3a12 h ASP 179 Ca 0.17 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3a12 h ASP 179 Cb 0.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3a12 h ASP 179 CO -0.21 0.83 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.01 3a12 h LEU 180 N 0.65 -0.14 -1.40 1.55 3.38 -0.70 -2.41 115.31 116.23 3a12 h LEU 180 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a12 h LEU 180 Cb 0.40 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3a12 h LEU 180 CO 0.01 0.20 0.38 -0.07 0.09 0.00 0.00 178.44 179.05 3a12 h LEU 181 N -0.50 0.68 -1.33 1.67 3.38 -1.06 -1.87 115.31 116.27 3a12 h LEU 181 Ca -0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3a12 h LEU 181 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3a12 h LEU 181 CO 0.03 0.50 -0.31 0.28 0.09 0.00 0.00 178.44 179.03 3a12 h SER 182 N 0.80 0.00 -0.48 -0.43 0.02 -1.08 -3.24 113.55 109.13 3a12 h SER 182 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3a12 h SER 182 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3a12 h SER 182 CO -0.04 0.31 0.00 0.59 -1.14 0.00 0.00 176.83 176.55 3a12 n ASN 183 N -3.85 5.20 0.00 3.07 3.02 -0.74 -4.93 115.26 117.04 3a12 n ASN 183 Ca -0.01 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 3a12 n ASN 183 Cb 0.39 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 0.29 2.09 3.76 7.41 0.00 -1.17 -3.15 105.19 114.43 3a12 n GLY 184 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 3a12 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 s ALA 185 N -1.83 3.67 -0.12 4.61 0.00 -0.97 -4.91 121.76 122.21 3a12 s ALA 185 Ca 0.00 1.54 0.16 0.00 0.00 0.00 0.00 51.96 53.66 3a12 s ALA 185 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 3a12 s ALA 185 CO 0.00 -0.97 1.09 -0.44 0.00 0.00 0.00 175.76 175.43 3a12 h ASP 186 N 4.21 0.00 -5.06 0.00 3.32 0.11 -3.41 116.42 115.59 3a12 h ASP 186 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 3a12 h ASP 186 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.62 3a12 h ASP 186 CO 0.74 0.56 -0.15 -0.72 -1.72 0.00 0.00 179.24 177.95 3a12 s TYR 187 N -2.93 -0.18 0.00 4.55 -0.85 -1.16 -1.98 117.35 114.81 3a12 s TYR 187 Ca -0.00 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 3a12 s TYR 187 Cb 0.08 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.61 3a12 s TYR 187 CO 0.79 -0.60 0.00 -1.33 -1.52 0.00 0.00 175.55 172.89 3a12 n MET 188 N 0.24 1.91 -5.12 -3.49 2.81 -0.97 -1.78 117.12 110.71 3a12 n MET 188 Ca -0.17 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.40 3a12 n MET 188 Cb 0.61 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.81 3.40 0.71 7.83 1.01 -0.53 0.24 116.67 128.52 3a12 s ASP 190 Ca 0.00 -0.39 -0.16 0.00 0.71 0.00 0.00 52.55 52.71 3a12 s ASP 190 Cb 0.00 -0.51 0.02 0.00 1.01 0.00 0.00 42.92 43.43 3a12 s ASP 190 CO 0.00 0.32 1.15 -0.67 0.21 0.00 0.00 175.17 176.19 3a12 n ASP 191 N 2.32 1.26 0.33 0.27 -0.08 -1.26 -4.84 116.55 114.54 3a12 n ASP 191 Ca -0.16 0.72 0.22 0.00 -1.51 0.00 0.00 54.79 54.05 3a12 n ASP 191 Cb 0.51 -1.49 1.15 0.00 2.34 0.00 0.00 41.12 43.63 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 -0.07 0.00 -0.17 -0.67 9.09 -2.00 -1.21 114.58 119.55 3a12 h GLU 192 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3a12 h GLU 192 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 3a12 h GLU 192 CO 0.49 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.82 3a12 n ASN 193 N -3.15 3.06 -4.52 3.06 2.04 -1.26 -4.82 115.26 109.66 3a12 n ASN 193 Ca -0.03 -1.94 -0.43 0.00 -0.44 0.00 0.00 54.58 51.75 3a12 n ASN 193 Cb 0.10 -0.10 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 3a12 n ASN 193 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 3a12 s LEU 194 N -1.67 4.11 0.00 -4.53 2.96 -0.46 -4.93 118.68 114.16 3a12 s LEU 194 Ca 0.30 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3a12 s LEU 194 Cb 0.20 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 44.04 3a12 s LEU 194 CO 0.28 -1.21 0.00 0.35 -1.32 0.00 0.00 176.35 174.45 3a12 n THR 195 N 6.20 0.00 -2.73 3.68 -2.24 -1.26 -4.65 114.28 113.28 3a12 n THR 195 Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 3a12 n THR 195 Cb 0.47 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.60 -4.56 3.42 2.88 -1.26 -4.17 113.62 110.53 3a12 n SER 196 Ca 0.00 -2.72 -0.29 0.00 -1.33 0.00 0.00 58.87 54.53 3a12 n SER 196 Cb 0.00 -0.16 0.19 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.29 0.11 0.40 -1.46 0.04 -1.24 -4.67 135.00 125.89 3a12 s PRO 197 Ca 0.27 0.41 0.11 0.00 0.04 0.00 0.00 61.00 61.83 3a12 s PRO 197 Cb 0.43 -1.71 0.92 0.00 0.04 0.00 0.00 34.50 34.18 3a12 s PRO 197 CO -0.00 -2.92 1.97 0.11 0.04 0.00 0.00 177.00 176.19 3a12 h TRP 198 N -2.03 0.57 -0.00 0.56 5.08 -2.01 -1.75 115.95 116.37 3a12 h TRP 198 Ca -0.54 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.45 3a12 h TRP 198 Cb 1.33 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3a12 h TRP 198 CO -0.04 0.28 -0.17 2.48 -1.28 0.00 0.00 178.44 179.72 3a12 n TYR 199 N -4.48 0.00 -2.86 0.12 0.18 -1.26 -4.43 117.16 104.42 3a12 n TYR 199 Ca 0.10 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.80 3a12 n TYR 199 Cb 0.32 -0.38 -0.00 0.00 -0.38 0.00 0.00 39.34 38.91 3a12 n TYR 199 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 3a12 n ASN 200 N -1.42 -2.84 -4.73 9.48 2.85 -0.67 -4.06 115.26 113.87 3a12 n ASN 200 Ca 0.08 -2.90 -0.42 0.00 -0.11 0.00 0.00 54.58 51.23 3a12 n ASN 200 Cb 0.33 1.37 -0.03 0.00 1.24 0.00 0.00 39.78 42.69 3a12 n ASN 200 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3a12 s ARG 201 N 0.66 4.30 0.22 1.20 1.81 -1.13 -3.67 118.95 122.33 3a12 s ARG 201 Ca 0.31 2.20 -0.11 0.00 -1.72 0.00 0.00 55.73 56.41 3a12 s ARG 201 Cb 0.05 -3.18 0.30 0.00 -0.45 0.00 0.00 34.95 31.67 3a12 s ARG 201 CO -0.10 -0.43 1.64 0.35 -0.68 0.00 0.00 175.30 176.07 3a12 h PHE 202 N 5.99 -0.20 -0.13 -0.53 3.57 -1.84 -1.87 116.94 121.93 3a12 h PHE 202 Ca -0.44 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.03 3a12 h PHE 202 Cb 1.21 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3a12 h PHE 202 CO 0.63 -0.24 -0.30 1.05 -2.23 0.00 0.00 178.31 177.22 3a12 h GLU 203 N 0.05 0.25 -0.15 1.11 9.09 -1.95 -1.10 114.58 121.89 3a12 h GLU 203 Ca 0.34 -0.09 -0.04 0.00 0.05 0.00 0.00 59.36 59.61 3a12 h GLU 203 Cb 0.54 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 3a12 h GLU 203 CO -0.63 0.53 -0.07 0.93 0.05 0.00 0.00 179.01 179.81 3a12 h GLU 204 N 0.22 0.31 0.00 1.06 5.08 -1.75 -2.05 114.58 117.44 3a12 h GLU 204 Ca 0.03 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3a12 h GLU 204 Cb 0.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3a12 h GLU 204 CO 0.05 0.64 -0.39 0.07 -1.00 0.00 0.00 179.01 178.37 3a12 h ARG 205 N -0.03 0.00 -0.29 2.33 0.11 -1.29 -2.32 114.38 112.89 3a12 h ARG 205 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 3a12 h ARG 205 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 3a12 h ARG 205 CO 0.02 0.39 0.17 0.00 0.10 0.00 0.00 179.97 180.66 3a12 h ALA 206 N 1.61 0.37 -0.31 0.08 0.00 -1.11 0.15 119.26 120.04 3a12 h ALA 206 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a12 h ALA 206 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3a12 h ALA 206 CO 0.05 -0.13 0.17 0.93 0.00 0.00 0.00 179.25 180.28 3a12 h GLU 207 N 0.36 0.43 -0.20 0.00 5.08 -1.12 0.99 114.58 120.13 3a12 h GLU 207 Ca 0.10 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3a12 h GLU 207 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3a12 h GLU 207 CO -0.02 0.37 0.09 0.82 -1.00 0.00 0.00 179.01 179.27 3a12 h ILE 208 N 0.39 0.98 -0.24 3.13 2.04 -1.31 -2.17 117.51 120.34 3a12 h ILE 208 Ca 0.11 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 3a12 h ILE 208 Cb 0.06 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3a12 h ILE 208 CO -0.02 0.04 -0.23 -0.03 0.00 0.00 0.00 178.15 177.91 3a12 h MET 209 N 0.20 0.44 -0.48 2.37 4.05 -0.45 0.13 114.93 121.18 3a12 h MET 209 Ca 0.08 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3a12 h MET 209 Cb 0.03 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3a12 h MET 209 CO -0.07 0.65 0.30 0.00 0.23 0.00 0.00 176.91 178.02 3a12 h ALA 210 N 1.36 0.62 -0.21 0.39 0.00 -0.58 -0.90 119.26 119.94 3a12 h ALA 210 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3a12 h ALA 210 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3a12 h ALA 210 CO 0.04 0.10 -0.02 -0.22 0.00 0.00 0.00 179.25 179.15 3a12 h LYS 211 N 0.65 0.39 -0.36 0.00 3.64 -0.86 -2.71 116.57 117.32 3a12 h LYS 211 Ca 0.17 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3a12 h LYS 211 Cb -0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3a12 h LYS 211 CO -0.03 0.61 0.23 0.82 -2.27 0.00 0.00 179.45 178.81 3a12 h ILE 212 N 0.13 1.10 -0.58 2.00 1.08 -0.65 -1.28 117.51 119.31 3a12 h ILE 212 Ca 0.06 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3a12 h ILE 212 Cb 0.45 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3a12 h ILE 212 CO 0.02 0.10 0.33 0.40 -0.69 0.00 0.00 178.15 178.30 3a12 h ILE 213 N 0.48 1.19 -0.52 -0.67 2.04 -1.20 0.15 117.51 118.98 3a12 h ILE 213 Ca 0.13 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3a12 h ILE 213 Cb -0.04 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3a12 h ILE 213 CO -0.03 0.20 0.30 0.44 0.00 0.00 0.00 178.15 179.06 3a12 h ASP 214 N 0.78 0.64 -0.35 1.72 3.32 -1.25 -0.90 116.42 120.39 3a12 h ASP 214 Ca 0.21 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3a12 h ASP 214 Cb 0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3a12 h ASP 214 CO -0.03 0.53 -0.02 0.50 -1.72 0.00 0.00 179.24 178.49 3a12 h LYS 215 N 0.70 0.63 -0.31 3.56 3.64 -0.87 -1.61 116.57 122.31 3a12 h LYS 215 Ca 0.18 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3a12 h LYS 215 Cb 0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3a12 h LYS 215 CO -0.03 0.77 -0.37 0.28 -2.27 0.00 0.00 179.45 177.82 3a12 h VAL 216 N 0.44 1.29 -0.22 2.00 2.07 -0.67 -2.08 116.25 119.09 3a12 h VAL 216 Ca 0.10 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 3a12 h VAL 216 Cb 0.50 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3a12 h VAL 216 CO 0.02 0.50 -0.36 -0.33 0.02 0.00 0.00 177.57 177.42 3a12 h GLU 217 N 0.59 0.47 -0.39 1.57 5.08 -1.09 -0.71 114.58 120.11 3a12 h GLU 217 Ca 0.05 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3a12 h GLU 217 Cb 0.91 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3a12 h GLU 217 CO 0.08 0.77 0.05 -0.97 -1.00 0.00 0.00 179.01 177.94 3a12 h ASN 218 N 0.40 0.63 0.12 1.42 -0.00 -1.20 -1.16 115.58 115.79 3a12 h ASN 218 Ca 0.04 -0.27 -0.21 0.00 -0.00 0.00 0.00 56.30 55.86 3a12 h ASN 218 Cb 0.82 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.98 3a12 h ASN 218 CO 0.07 0.74 -0.83 -0.33 -0.00 0.00 0.00 177.43 177.08 3a12 h GLU 219 N 0.50 0.56 0.00 6.67 5.08 -1.14 -3.35 114.58 122.89 3a12 h GLU 219 Ca 0.12 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3a12 h GLU 219 Cb 0.39 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3a12 h GLU 219 CO 0.01 1.13 -1.71 0.25 -1.00 0.00 0.00 179.01 177.68 3a12 n THR 220 N -3.85 0.00 -0.88 1.13 -2.24 -0.29 -4.97 114.28 103.17 3a12 n THR 220 Ca -0.07 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3a12 n THR 220 Cb 0.77 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3a12 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a12 n GLY 221 N 1.42 0.41 3.57 3.38 0.00 -0.44 -5.00 105.19 108.54 3a12 n GLY 221 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3a12 n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a12 s GLU 222 N -0.67 2.74 0.40 1.61 -1.05 -1.26 -5.05 118.70 115.42 3a12 s GLU 222 Ca 0.00 -0.56 -0.25 0.00 -0.15 0.00 0.00 54.97 54.00 3a12 s GLU 222 Cb 0.00 -2.57 -0.08 0.00 -0.44 0.00 0.00 34.13 31.03 3a12 s GLU 222 CO 0.00 0.65 1.19 0.15 0.95 0.00 0.00 175.26 178.21 3a12 s LYS 223 N -0.79 4.05 0.21 -4.83 -0.14 -1.26 -4.38 119.74 112.60 3a12 s LYS 223 Ca 0.12 1.90 0.05 0.00 -1.36 0.00 0.00 55.97 56.68 3a12 s LYS 223 Cb -0.11 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.29 3a12 s LYS 223 CO 0.01 -0.34 -0.05 0.15 -0.76 0.00 0.00 175.35 174.36 3a12 s LYS 224 N -2.27 1.29 0.30 1.68 -0.14 -1.26 -4.90 119.74 114.43 3a12 s LYS 224 Ca 0.57 -1.62 -0.10 0.00 -1.36 0.00 0.00 55.97 53.46 3a12 s LYS 224 Cb -0.32 -0.74 0.01 0.00 -1.68 0.00 0.00 37.83 35.09 3a12 s LYS 224 CO 0.41 -0.00 0.52 -0.08 -0.76 0.00 0.00 175.35 175.44 3a12 s THR 225 N -3.29 0.00 -0.03 2.17 -1.32 -0.84 -5.01 115.64 107.32 3a12 s THR 225 Ca 0.25 -1.41 -0.01 0.00 -1.21 0.00 0.00 61.69 59.31 3a12 s THR 225 Cb 0.04 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.63 3a12 s THR 225 CO 0.07 0.00 0.03 0.86 -2.21 0.00 0.00 174.62 173.37 3a12 s TRP 226 N -3.48 0.15 -0.71 9.09 -0.00 -1.26 -2.30 118.94 120.44 3a12 s TRP 226 Ca 0.24 0.12 -0.22 0.00 -0.00 0.00 0.00 56.10 56.24 3a12 s TRP 226 Cb -0.01 -0.41 0.08 0.00 -0.00 0.00 0.00 33.47 33.13 3a12 s TRP 226 CO 0.13 -0.15 0.99 -0.06 -0.00 0.00 0.00 176.95 177.85 3a12 s PHE 227 N 1.52 2.76 -0.26 5.86 0.08 0.14 -4.31 117.98 123.76 3a12 s PHE 227 Ca -0.03 -0.71 -0.13 0.00 0.12 0.00 0.00 56.93 56.17 3a12 s PHE 227 Cb -0.13 -4.29 -0.04 0.00 -0.57 0.00 0.00 43.02 37.99 3a12 s PHE 227 CO -0.03 -1.61 0.30 0.00 -0.10 0.00 0.00 175.22 173.78 3a12 s ALA 228 N 3.79 3.56 -0.61 5.36 0.00 -1.26 -1.46 121.76 131.15 3a12 s ALA 228 Ca 0.24 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 3a12 s ALA 228 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.39 3a12 s ALA 228 CO 0.06 -0.55 1.31 1.21 0.00 0.00 0.00 175.76 177.79 3a12 s ASN 229 N 1.57 6.23 0.00 0.00 2.47 -1.26 -0.02 114.94 123.93 3a12 s ASN 229 Ca 0.12 0.07 0.27 0.00 0.42 0.00 0.00 52.86 53.75 3a12 s ASN 229 Cb -0.16 -2.55 0.96 0.00 -1.45 0.00 0.00 41.25 38.05 3a12 s ASN 229 CO 0.10 -1.67 1.69 2.30 -3.72 0.00 0.00 177.10 175.80 3a12 n ILE 230 N 6.70 0.00 -1.67 -5.21 -5.35 -0.58 -4.75 119.36 108.50 3a12 n ILE 230 Ca 0.09 -0.13 -0.59 0.00 -0.27 0.00 0.00 62.75 61.86 3a12 n ILE 230 Cb 0.49 0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 38.59 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 -0.58 0.15 -3.87 7.28 -1.04 -1.26 -4.37 114.28 110.60 3a12 n THR 231 Ca 0.14 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3a12 n THR 231 Cb 0.33 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 4.11 -0.62 -0.90 2.41 0.00 -1.26 -4.89 120.51 119.36 3a12 n ALA 232 Ca 0.25 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 3a12 n ALA 232 Cb 0.10 0.03 0.15 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.49 3.34 0.12 0.00 1.01 -1.26 -4.71 116.67 113.68 3a12 s ASP 233 Ca 0.05 1.99 -0.27 0.00 0.71 0.00 0.00 52.55 55.04 3a12 s ASP 233 Cb -0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 3a12 s ASP 233 CO -0.00 -2.80 1.63 0.25 0.21 0.00 0.00 175.17 174.45 3a12 h LEU 234 N -1.66 -0.83 -0.77 1.23 5.85 -1.99 -1.03 115.31 116.11 3a12 h LEU 234 Ca -0.45 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3a12 h LEU 234 Cb 1.26 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 3a12 h LEU 234 CO 0.46 -0.36 0.48 -0.07 -0.34 0.00 0.00 178.44 178.61 3a12 h LEU 235 N -0.46 0.79 -1.03 2.25 3.38 -2.00 -0.34 115.31 117.91 3a12 h LEU 235 Ca 0.05 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3a12 h LEU 235 Cb 0.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3a12 h LEU 235 CO -0.21 0.54 0.11 -0.33 0.09 0.00 0.00 178.44 178.64 3a12 h GLU 236 N 0.94 0.81 -0.72 1.13 3.07 -1.84 -1.76 114.58 116.21 3a12 h GLU 236 Ca 0.31 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 3a12 h GLU 236 Cb 0.03 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 3a12 h GLU 236 CO -0.12 0.74 0.30 0.52 -1.40 0.00 0.00 179.01 179.06 3a12 h MET 237 N 0.78 1.07 -0.47 2.33 2.86 0.11 -0.76 114.93 120.85 3a12 h MET 237 Ca 0.17 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3a12 h MET 237 Cb 0.31 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3a12 h MET 237 CO 0.00 0.87 0.29 0.93 1.06 0.00 0.00 176.91 180.06 3a12 h GLU 238 N 1.03 0.56 -0.83 1.72 5.08 -0.72 -1.20 114.58 120.22 3a12 h GLU 238 Ca 0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3a12 h GLU 238 Cb 0.19 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3a12 h GLU 238 CO -0.02 0.37 0.48 1.96 -1.00 0.00 0.00 179.01 180.80 3a12 h GLN 239 N 0.58 1.14 -0.40 2.33 4.20 -0.98 -1.03 115.11 120.95 3a12 h GLN 239 Ca 0.18 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 3a12 h GLN 239 Cb -0.00 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3a12 h GLN 239 CO -0.07 0.82 -0.30 0.00 -0.67 0.00 0.00 178.83 178.60 3a12 h ARG 240 N 1.15 0.88 -0.50 1.46 3.08 -0.87 -0.17 114.38 119.41 3a12 h ARG 240 Ca 0.30 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3a12 h ARG 240 Cb -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3a12 h ARG 240 CO -0.05 1.06 0.33 -0.07 -1.07 0.00 0.00 179.97 180.16 3a12 h LEU 241 N 0.74 0.57 -0.72 3.04 3.38 -1.02 -1.72 115.31 119.58 3a12 h LEU 241 Ca 0.08 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3a12 h LEU 241 Cb 0.86 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3a12 h LEU 241 CO 0.08 0.41 0.44 -0.08 0.09 0.00 0.00 178.44 179.38 3a12 h GLU 242 N 0.67 0.83 -0.99 1.13 4.81 -0.76 -0.64 114.58 119.62 3a12 h GLU 242 Ca 0.18 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3a12 h GLU 242 Cb -0.07 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.06 3a12 h GLU 242 CO -0.04 0.55 0.65 0.28 -0.73 0.00 0.00 179.01 179.72 3a12 h VAL 243 N 0.86 1.19 -0.17 0.32 2.07 -0.66 -1.58 116.25 118.27 3a12 h VAL 243 Ca 0.29 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3a12 h VAL 243 Cb 0.05 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 3a12 h VAL 243 CO -0.12 0.23 0.01 -0.07 0.02 0.00 0.00 177.57 177.64 3a12 h LEU 244 N 1.28 0.27 -0.06 2.57 3.38 -0.40 -3.06 115.31 119.29 3a12 h LEU 244 Ca 0.39 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3a12 h LEU 244 Cb -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3a12 h LEU 244 CO -0.12 0.49 -0.01 0.00 0.09 0.00 0.00 178.44 178.90 3a12 h ALA 245 N 0.79 0.05 -0.13 1.53 0.00 -0.86 -2.08 119.26 118.56 3a12 h ALA 245 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3a12 h ALA 245 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a12 h ALA 245 CO 0.01 -0.48 0.21 -0.44 0.00 0.00 0.00 179.25 178.54 3a12 h ASP 246 N 0.01 0.00 0.03 0.00 3.32 -1.31 -0.47 116.42 118.00 3a12 h ASP 246 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3a12 h ASP 246 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3a12 h ASP 246 CO -0.06 0.00 -0.39 0.18 -1.72 0.00 0.00 179.24 177.25 3a12 n LEU 247 N -3.51 1.92 -0.43 1.55 4.77 -0.83 -4.95 117.00 115.50 3a12 n LEU 247 Ca 0.01 -0.68 -0.06 0.00 -0.03 0.00 0.00 56.01 55.25 3a12 n LEU 247 Cb 0.31 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3a12 n LEU 247 CO 0.24 0.35 -0.05 0.61 -1.33 0.00 0.00 177.39 177.20 3a12 n GLY 248 N 1.40 0.82 3.80 -0.72 0.00 -0.18 -4.98 105.19 105.32 3a12 n GLY 248 Ca 0.10 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.29 2.83 -0.01 0.99 1.43 -0.91 -5.01 118.68 116.72 3a12 s LEU 249 Ca 0.00 1.51 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 3a12 s LEU 249 Cb 0.00 -4.22 -0.12 0.00 0.03 0.00 0.00 46.19 41.88 3a12 s LEU 249 CO 0.00 -1.84 0.30 0.29 0.23 0.00 0.00 176.35 175.33 3a12 n LYS 250 N -3.37 2.21 -4.20 1.70 5.02 -1.26 -4.74 118.16 113.53 3a12 n LYS 250 Ca 0.07 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 3a12 n LYS 250 Cb 0.55 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.24 1.05 -0.05 2.13 3.76 -1.26 -0.82 115.29 117.86 3a12 s HIS 251 Ca 0.00 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3a12 s HIS 251 Cb 0.06 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 33.16 3a12 s HIS 251 CO 0.38 0.01 -0.09 0.00 -0.85 0.00 0.00 174.74 174.20 3a12 s ALA 252 N -1.12 0.97 -0.09 -1.40 0.00 -0.04 -4.19 121.76 115.90 3a12 s ALA 252 Ca -0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 3a12 s ALA 252 Cb -0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3a12 s ALA 252 CO 0.01 0.07 0.27 1.41 0.00 0.00 0.00 175.76 177.52 3a12 s MET 253 N 0.72 3.83 -0.05 0.00 1.75 0.97 -0.54 119.30 125.98 3a12 s MET 253 Ca -0.13 0.10 0.02 0.00 -1.25 0.00 0.00 55.69 54.44 3a12 s MET 253 Cb -0.15 -3.27 0.01 0.00 2.84 0.00 0.00 34.83 34.27 3a12 s MET 253 CO 0.02 0.60 -0.09 0.08 -0.65 0.00 0.00 175.02 174.99 3a12 s VAL 254 N -0.63 0.82 -0.92 10.11 1.01 -0.42 -1.53 120.40 128.84 3a12 s VAL 254 Ca 0.18 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3a12 s VAL 254 Cb -0.14 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3a12 s VAL 254 CO 0.07 0.28 1.52 -1.81 0.00 0.00 0.00 175.10 175.15 3a12 s ASP 255 N 0.60 6.13 0.23 3.32 1.01 -1.26 -0.83 116.67 125.87 3a12 s ASP 255 Ca -0.10 -1.00 0.02 0.00 0.71 0.00 0.00 52.55 52.18 3a12 s ASP 255 Cb -0.13 -2.56 0.23 0.00 1.01 0.00 0.00 42.92 41.47 3a12 s ASP 255 CO 0.02 -1.83 1.56 -0.37 0.21 0.00 0.00 175.17 174.75 3a12 h VAL 256 N 6.72 1.35 -0.37 -1.27 -1.51 -1.30 0.69 116.25 120.57 3a12 h VAL 256 Ca 0.05 -1.86 -0.14 0.00 -1.23 0.00 0.00 66.70 63.52 3a12 h VAL 256 Cb 1.03 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 3a12 h VAL 256 CO 1.35 0.56 -0.33 0.58 -1.23 0.00 0.00 177.57 178.50 3a12 h VAL 257 N 0.26 1.28 -0.25 7.19 2.07 -1.80 -2.16 116.25 122.85 3a12 h VAL 257 Ca 0.00 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 3a12 h VAL 257 Cb 1.06 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3a12 h VAL 257 CO 0.09 0.50 -0.18 0.40 0.02 0.00 0.00 177.57 178.41 3a12 h ILE 258 N 0.68 1.31 -0.59 4.57 2.04 -1.67 -3.20 117.51 120.64 3a12 h ILE 258 Ca 0.06 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.68 3a12 h ILE 258 Cb 0.92 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 3a12 h ILE 258 CO 0.08 0.41 0.31 0.74 0.00 0.00 0.00 178.15 179.69 3a12 h THR 259 N 0.28 0.94 0.00 -0.27 2.02 -0.85 -3.48 112.91 111.55 3a12 h THR 259 Ca 0.05 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3a12 h THR 259 Cb 0.71 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3a12 h THR 259 CO 0.05 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.65 3a12 n GLY 260 N -1.27 0.25 0.19 2.16 0.00 -0.81 -4.58 105.19 101.12 3a12 n GLY 260 Ca 0.07 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.22 1.61 4.06 -1.89 -3.05 115.95 116.46 3a12 h TRP 261 Ca 0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 3a12 h TRP 261 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3a12 h TRP 261 CO 0.00 0.37 -0.28 0.78 -3.56 0.00 0.00 178.44 175.75 3a12 h GLY 262 N 2.10 0.45 0.00 1.49 0.00 -2.00 -3.30 103.07 101.82 3a12 h GLY 262 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3a12 h GLY 262 CO 0.05 0.34 -1.49 0.00 0.00 0.00 0.00 176.54 175.44 3a12 n ALA 263 N -2.48 2.72 -0.25 3.60 0.00 -1.23 -4.72 120.51 118.15 3a12 n ALA 263 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3a12 n ALA 263 Cb 0.41 -0.49 0.13 0.00 0.00 0.00 0.00 19.45 19.50 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 0.56 -0.54 0.00 5.85 -1.61 -0.65 115.31 118.91 3a12 h LEU 264 Ca 0.00 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3a12 h LEU 264 Cb 0.60 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3a12 h LEU 264 CO 0.00 0.34 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.34 3a12 h ARG 265 N 0.69 0.97 -0.55 1.25 2.43 -1.84 0.53 114.38 117.85 3a12 h ARG 265 Ca 0.34 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a12 h ARG 265 Cb 0.28 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3a12 h ARG 265 CO -0.22 0.98 0.35 -0.92 -1.51 0.00 0.00 179.97 178.64 3a12 h TYR 266 N 0.85 0.71 -0.73 2.20 3.20 -1.65 0.12 116.97 121.67 3a12 h TYR 266 Ca 0.15 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3a12 h TYR 266 Cb 0.55 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3a12 h TYR 266 CO 0.04 0.48 0.21 0.82 -1.64 0.00 0.00 178.16 178.06 3a12 h ILE 267 N 0.75 1.26 -0.36 1.81 1.08 -0.81 -0.44 117.51 120.79 3a12 h ILE 267 Ca 0.20 -0.94 -0.09 0.00 -0.39 0.00 0.00 64.86 63.64 3a12 h ILE 267 Cb -0.04 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3a12 h ILE 267 CO -0.04 0.37 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.56 3a12 h ARG 268 N 1.10 0.74 -0.29 2.37 1.12 -0.44 0.19 114.38 119.16 3a12 h ARG 268 Ca 0.23 -0.31 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 3a12 h ARG 268 Cb 0.34 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 3a12 h ARG 268 CO -0.00 0.91 0.15 -0.44 -3.11 0.00 0.00 179.97 177.48 3a12 h ASP 269 N 0.53 0.37 -0.16 -3.80 3.32 -0.60 -0.74 116.42 115.34 3a12 h ASP 269 Ca 0.09 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3a12 h ASP 269 Cb 0.67 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3a12 h ASP 269 CO 0.05 0.38 -0.04 0.25 -1.72 0.00 0.00 179.24 178.16 3a12 h LEU 270 N 0.34 -0.14 -0.75 1.55 5.85 -0.95 -0.88 115.31 120.33 3a12 h LEU 270 Ca 0.10 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3a12 h LEU 270 Cb 0.10 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3a12 h LEU 270 CO -0.01 -0.05 0.46 0.00 -0.34 0.00 0.00 178.44 178.50 3a12 h ALA 271 N 1.16 0.99 -0.78 1.25 0.00 -0.83 -1.95 119.26 119.10 3a12 h ALA 271 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a12 h ALA 271 Cb 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3a12 h ALA 271 CO -0.16 0.21 0.50 0.00 0.00 0.00 0.00 179.25 179.80 3a12 h ALA 272 N 1.34 1.00 -0.15 0.00 0.00 -0.72 -0.15 119.26 120.58 3a12 h ALA 272 Ca 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3a12 h ALA 272 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3a12 h ALA 272 CO -0.14 0.43 -0.05 -0.44 0.00 0.00 0.00 179.25 179.05 3a12 h ASP 273 N 1.07 0.20 0.11 0.00 3.45 -0.46 -1.43 116.42 119.36 3a12 h ASP 273 Ca 0.29 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3a12 h ASP 273 Cb -0.09 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3a12 h ASP 273 CO -0.06 0.30 -0.05 -1.22 -1.57 0.00 0.00 179.24 176.64 3a12 n TYR 274 N -4.35 0.00 -2.71 4.55 4.01 -0.80 -4.93 117.16 112.92 3a12 n TYR 274 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 3a12 n TYR 274 Cb 0.20 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.17 -0.15 3.78 2.72 0.00 -0.54 -4.88 105.19 107.29 3a12 n GLY 275 Ca 0.19 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.62 4.07 0.30 0.99 1.43 -0.14 -4.86 118.68 115.85 3a12 s LEU 276 Ca 0.18 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.42 3a12 s LEU 276 Cb -0.08 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 3a12 s LEU 276 CO 0.22 0.35 0.74 0.00 0.23 0.00 0.00 176.35 177.90 3a12 s ALA 277 N -0.70 3.34 -0.22 4.21 0.00 -0.00 -4.27 121.76 124.12 3a12 s ALA 277 Ca 0.12 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3a12 s ALA 277 Cb -0.12 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 3a12 s ALA 277 CO 0.03 0.32 0.03 0.42 0.00 0.00 0.00 175.76 176.56 3a12 s ILE 278 N -1.85 4.16 -0.36 0.00 1.01 -1.26 -0.86 121.20 122.05 3a12 s ILE 278 Ca 0.51 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 3a12 s ILE 278 Cb -0.12 -2.91 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 3a12 s ILE 278 CO 0.18 0.39 0.38 -2.28 0.00 0.00 0.00 174.94 173.61 3a12 s HIS 279 N 1.21 3.20 -0.33 3.97 5.65 0.30 -1.60 115.29 127.70 3a12 s HIS 279 Ca 0.04 -0.11 -0.20 0.00 0.25 0.00 0.00 55.06 55.04 3a12 s HIS 279 Cb -0.14 -2.71 -0.01 0.00 -1.18 0.00 0.00 32.58 28.54 3a12 s HIS 279 CO 0.02 -0.49 0.61 0.20 -0.65 0.00 0.00 174.74 174.43 3a12 s GLY 280 N 1.75 1.78 -0.14 1.59 0.00 0.25 -1.30 107.32 111.24 3a12 s GLY 280 Ca 0.12 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 3a12 s GLY 280 CO 0.12 1.43 0.11 -1.58 0.00 0.00 0.00 173.10 173.17 3a12 s HIS 281 N 2.59 3.45 -0.67 1.90 2.46 -0.01 -2.98 115.29 122.04 3a12 s HIS 281 Ca 0.24 0.38 0.16 0.00 0.47 0.00 0.00 55.06 56.31 3a12 s HIS 281 Cb -0.15 -1.98 0.75 0.00 -0.13 0.00 0.00 32.58 31.07 3a12 s HIS 281 CO 0.13 0.53 1.67 2.89 -2.47 0.00 0.00 174.74 177.49 3a12 n ARG 282 N 2.53 4.21 -1.51 2.88 1.85 -1.26 -0.78 116.66 124.58 3a12 n ARG 282 Ca -0.19 -3.01 -0.56 0.00 -1.00 0.00 0.00 57.85 53.10 3a12 n ARG 282 Cb 0.54 -2.05 -0.07 0.00 -1.05 0.00 0.00 32.46 29.83 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 0.79 -2.99 0.00 2.89 0.00 -1.26 -0.55 120.51 119.38 3a12 n ALA 283 Ca 0.26 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.26 3a12 n ALA 283 Cb 1.03 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.61 0.00 -0.34 0.00 0.00 -1.26 -4.13 117.12 112.99 3a12 n MET 284 Ca 0.19 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 58.01 3a12 n MET 284 Cb 0.13 -0.23 0.32 0.00 0.00 0.00 0.00 33.22 33.43 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 1.03 0.00 1.12 -0.00 -1.24 -2.40 115.15 113.66 3a12 h HIS 285 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a12 h HIS 285 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3a12 h HIS 285 CO 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 177.93 178.22 3a12 n ALA 286 N -2.36 1.39 0.28 6.11 0.00 -1.26 -0.81 120.51 123.86 3a12 n ALA 286 Ca 0.22 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.92 3a12 n ALA 286 Cb 0.52 -1.33 0.82 0.00 0.00 0.00 0.00 19.45 19.47 3a12 n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a12 h ALA 287 N 2.17 1.25 0.00 0.00 0.00 -1.85 -3.27 119.26 117.56 3a12 h ALA 287 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 287 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3a12 h ALA 287 CO 0.00 0.09 -0.03 1.97 0.00 0.00 0.00 179.25 181.29 3a12 n PHE 288 N -3.54 0.00 0.95 0.00 1.16 0.01 -4.82 117.46 111.21 3a12 n PHE 288 Ca -0.02 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.66 3a12 n PHE 288 Cb 0.20 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.99 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 -0.55 0.00 0.07 1.97 -2.24 -0.63 -1.32 114.28 111.58 3a12 n THR 289 Ca 0.00 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 3a12 n THR 289 Cb 0.00 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.86 0.34 -6.34 -0.78 2.43 -1.80 -3.42 114.38 105.68 3a12 h ARG 290 Ca 0.00 -0.59 -0.57 0.00 -0.81 0.00 0.00 59.98 58.01 3a12 h ARG 290 Cb 0.56 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 3a12 h ARG 290 CO 0.00 1.28 1.06 1.21 -1.51 0.00 0.00 179.97 182.01 3a12 s ASN 291 N -7.09 6.48 0.03 -3.80 3.84 -1.26 -4.89 114.94 108.24 3a12 s ASN 291 Ca -0.13 1.34 0.12 0.00 0.21 0.00 0.00 52.86 54.41 3a12 s ASN 291 Cb 0.02 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.71 3a12 s ASN 291 CO 0.85 -1.22 1.39 -0.81 -2.79 0.00 0.00 177.10 174.52 3a12 n PRO 292 N 7.60 0.02 0.00 0.43 -0.04 -1.26 -1.99 135.00 139.76 3a12 n PRO 292 Ca 0.17 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 64.01 3a12 n PRO 292 Cb 0.46 -1.54 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.58 0.00 -3.64 0.54 4.01 -1.26 -4.88 117.16 110.35 3a12 n TYR 293 Ca 0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.72 3a12 n TYR 293 Cb 0.14 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.01 -0.88 -0.07 -0.72 2.46 -0.84 -2.72 115.29 111.51 3a12 s HIS 294 Ca 0.13 1.74 0.00 0.00 0.47 0.00 0.00 55.06 57.41 3a12 s HIS 294 Cb 0.10 0.53 0.00 0.00 -0.13 0.00 0.00 32.58 33.08 3a12 s HIS 294 CO 0.15 -0.44 0.00 0.41 -2.47 0.00 0.00 174.74 172.40 3a12 n GLY 295 N 4.16 0.08 2.98 1.59 0.00 -0.03 -4.28 105.19 109.69 3a12 n GLY 295 Ca -0.19 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.40 0.94 0.48 -0.61 1.01 -0.44 -1.07 121.20 121.12 3a12 s ILE 296 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 3a12 s ILE 296 Cb 0.00 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 3a12 s ILE 296 CO 0.00 0.31 1.17 -0.55 0.00 0.00 0.00 174.94 175.87 3a12 s SER 297 N 0.75 6.01 0.60 3.58 0.15 -0.43 -3.57 113.70 120.79 3a12 s SER 297 Ca -0.13 2.31 0.32 0.00 0.70 0.00 0.00 55.95 59.15 3a12 s SER 297 Cb -0.15 -2.60 1.92 0.00 -1.71 0.00 0.00 66.02 63.48 3a12 s SER 297 CO 0.02 -1.03 2.28 -0.03 1.20 0.00 0.00 173.24 175.68 3a12 h MET 298 N 1.83 0.00 -0.57 5.44 4.05 -1.91 -1.99 114.93 121.78 3a12 h MET 298 Ca -0.50 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 3a12 h MET 298 Cb 1.25 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 3a12 h MET 298 CO 0.59 0.00 0.16 0.35 0.23 0.00 0.00 176.91 178.24 3a12 h PHE 299 N 0.00 0.89 -0.19 1.39 3.57 -1.90 0.14 116.94 120.83 3a12 h PHE 299 Ca -0.00 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 3a12 h PHE 299 Cb 0.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3a12 h PHE 299 CO 0.00 0.73 -0.34 0.28 -2.23 0.00 0.00 178.31 176.74 3a12 h VAL 300 N 0.84 1.34 0.12 1.41 2.07 -1.58 -2.01 116.25 118.43 3a12 h VAL 300 Ca 0.19 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.14 3a12 h VAL 300 Cb 0.27 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3a12 h VAL 300 CO -0.01 0.48 -0.14 -0.07 0.02 0.00 0.00 177.57 177.85 3a12 h LEU 301 N 0.23 -0.39 -0.58 2.57 3.38 -1.38 -0.78 115.31 118.35 3a12 h LEU 301 Ca 0.01 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3a12 h LEU 301 Cb 0.94 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 3a12 h LEU 301 CO 0.08 -0.22 0.12 0.00 0.09 0.00 0.00 178.44 178.51 3a12 h ALA 302 N 0.54 0.68 -0.66 1.53 0.00 -0.73 0.63 119.26 121.26 3a12 h ALA 302 Ca 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 302 Cb 0.30 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3a12 h ALA 302 CO -0.06 -0.31 0.23 -0.22 0.00 0.00 0.00 179.25 178.89 3a12 h LYS 303 N 0.25 1.01 -0.30 0.00 3.64 -1.05 -2.08 116.57 118.04 3a12 h LYS 303 Ca 0.30 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 3a12 h LYS 303 Cb 0.44 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3a12 h LYS 303 CO -0.39 0.87 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.22 3a12 h LEU 304 N 0.94 0.84 -0.81 5.20 3.38 -0.38 -2.14 115.31 122.35 3a12 h LEU 304 Ca 0.21 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3a12 h LEU 304 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3a12 h LEU 304 CO -0.01 1.17 -0.08 1.88 0.09 0.00 0.00 178.44 181.49 3a12 h TYR 305 N 0.54 0.89 -0.17 1.13 0.05 -0.87 -0.30 116.97 118.24 3a12 h TYR 305 Ca 0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 3a12 h TYR 305 Cb 0.96 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 3a12 h TYR 305 CO 0.07 0.86 0.08 -0.09 -1.05 0.00 0.00 178.16 178.03 3a12 h ARG 306 N 0.75 0.24 -0.30 4.88 2.43 -1.31 0.42 114.38 121.49 3a12 h ARG 306 Ca 0.13 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3a12 h ARG 306 Cb 0.56 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3a12 h ARG 306 CO 0.03 0.28 0.15 -0.07 -1.51 0.00 0.00 179.97 178.85 3a12 h LEU 307 N 0.14 0.23 -0.27 3.80 3.38 -1.12 -2.39 115.31 119.08 3a12 h LEU 307 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3a12 h LEU 307 Cb 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3a12 h LEU 307 CO -0.01 0.17 0.02 0.40 0.09 0.00 0.00 178.44 179.11 3a12 h ILE 308 N 0.32 0.82 0.00 1.22 2.04 -0.96 -1.14 117.51 119.80 3a12 h ILE 308 Ca 0.12 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3a12 h ILE 308 Cb 0.03 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3a12 h ILE 308 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.70 3a12 n GLY 309 N -1.21 0.97 3.70 5.37 0.00 0.01 -4.04 105.19 109.99 3a12 n GLY 309 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.97 3.45 0.11 -0.61 -1.09 -0.44 -4.28 121.20 117.37 3a12 s ILE 310 Ca 0.00 0.95 0.03 0.00 -2.23 0.00 0.00 60.65 59.40 3a12 s ILE 310 Cb 0.00 -3.61 -0.23 0.00 -1.58 0.00 0.00 42.46 37.04 3a12 s ILE 310 CO 0.00 0.03 1.25 0.44 -1.23 0.00 0.00 174.94 175.43 3a12 h ASP 311 N 7.40 0.15 -3.75 3.58 3.32 -1.64 -3.43 116.42 122.06 3a12 h ASP 311 Ca -0.40 -0.16 -0.26 0.00 0.02 0.00 0.00 57.03 56.23 3a12 h ASP 311 Cb 1.20 -0.05 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 3a12 h ASP 311 CO 0.89 1.11 -0.73 -1.10 -1.72 0.00 0.00 179.24 177.68 3a12 s GLN 312 N -2.74 0.11 -0.11 3.56 -0.21 -0.69 -0.20 119.66 119.38 3a12 s GLN 312 Ca -0.01 -0.03 -0.06 0.00 0.02 0.00 0.00 55.36 55.28 3a12 s GLN 312 Cb 0.09 -0.13 0.05 0.00 1.00 0.00 0.00 33.01 34.02 3a12 s GLN 312 CO 0.84 0.01 0.27 -1.17 -2.12 0.00 0.00 175.29 173.12 3a12 s LEU 313 N 0.08 0.38 0.20 2.90 2.96 0.22 0.84 118.68 126.26 3a12 s LEU 313 Ca -0.01 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.17 3a12 s LEU 313 Cb -0.02 0.82 -0.09 0.00 0.50 0.00 0.00 46.19 47.40 3a12 s LEU 313 CO -0.00 -0.17 1.40 -1.00 -1.32 0.00 0.00 176.35 175.26 3a12 s HIS 314 N 1.23 3.14 0.00 5.38 3.76 -1.16 -0.53 115.29 127.11 3a12 s HIS 314 Ca -0.09 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 3a12 s HIS 314 Cb -0.10 -3.74 0.00 0.00 1.11 0.00 0.00 32.58 29.85 3a12 s HIS 314 CO -0.09 -2.44 0.01 1.33 -0.85 0.00 0.00 174.74 172.70 3a12 n VAL 315 N 2.86 0.00 0.00 -0.90 0.24 -0.40 -4.84 118.33 115.29 3a12 n VAL 315 Ca 0.08 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3a12 n VAL 315 Cb 0.41 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.56 1.65 0.68 7.63 0.00 -1.25 -4.73 105.19 109.73 3a12 n GLY 316 Ca 0.00 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.74 0.63 -3.02 2.61 -2.24 -1.26 -4.29 114.28 105.96 3a12 n THR 317 Ca 0.00 -0.82 -0.20 0.00 -2.27 0.00 0.00 64.05 60.76 3a12 n THR 317 Cb 0.00 0.79 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.72 -0.91 0.00 6.98 0.00 -1.26 -2.75 120.51 123.29 3a12 n ALA 318 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3a12 n ALA 318 Cb 0.41 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.09 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 -1.51 1.32 0.13 0.00 0.00 -1.09 -4.18 105.19 99.86 3a12 n GLY 319 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.80 -3.71 4.61 0.00 -1.85 -3.48 119.26 115.63 3a12 h ALA 320 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3a12 h ALA 320 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a12 h ALA 320 CO 0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 3a12 n GLY 321 N 0.63 1.28 0.24 0.00 0.00 -1.26 -4.60 105.19 101.49 3a12 n GLY 321 Ca -0.00 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.90 0.99 -4.59 1.61 2.85 -0.76 -4.72 118.16 112.63 3a12 n LYS 322 Ca 0.00 -0.48 -0.31 0.00 -1.05 0.00 0.00 58.31 56.47 3a12 n LYS 322 Cb 0.00 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 32.77 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 -2.35 2.66 0.62 -5.58 1.43 -1.26 -4.90 118.68 109.30 3a12 s LEU 323 Ca 0.30 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 3a12 s LEU 323 Cb 0.20 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 3a12 s LEU 323 CO 0.45 0.24 1.25 1.21 0.23 0.00 0.00 176.35 179.74 3a12 n GLU 324 N 1.42 1.19 0.00 1.70 0.00 -1.26 -4.82 120.64 118.87 3a12 n GLU 324 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 57.16 57.46 3a12 n GLU 324 Cb 0.52 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.49 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 0.96 2.24 3.76 8.31 0.00 -1.26 -4.95 105.19 114.25 3a12 n GLY 325 Ca 0.14 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 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 2.69 0.16 -0.02 0.00 -1.26 -2.68 107.32 106.20 3a12 s GLY 326 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 44.72 45.50 3a12 s GLY 326 CO 0.00 1.29 1.70 1.70 0.00 0.00 0.00 173.10 177.79 3a12 h LYS 327 N 1.04 0.79 -0.29 2.90 3.64 -1.97 -1.25 116.57 121.43 3a12 h LYS 327 Ca -0.50 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 58.56 3a12 h LYS 327 Cb 1.28 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3a12 h LYS 327 CO 0.56 0.71 -0.48 2.35 -2.27 0.00 0.00 179.45 180.32 3a12 h TRP 328 N 0.70 0.95 -0.12 1.91 7.01 -1.93 -1.91 115.95 122.57 3a12 h TRP 328 Ca 0.17 -0.31 0.02 0.00 2.11 0.00 0.00 58.89 60.88 3a12 h TRP 328 Cb 0.23 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 3a12 h TRP 328 CO 0.01 1.10 -0.01 -0.44 -2.79 0.00 0.00 178.44 176.31 3a12 h ASP 329 N 0.61 -0.08 -0.55 2.65 3.32 -1.91 -2.04 116.42 118.42 3a12 h ASP 329 Ca 0.03 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3a12 h ASP 329 Cb 1.05 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3a12 h ASP 329 CO 0.10 -0.02 0.14 0.58 -1.72 0.00 0.00 179.24 178.32 3a12 h VAL 330 N 0.02 1.24 -0.97 -1.35 2.07 -1.11 -1.54 116.25 114.61 3a12 h VAL 330 Ca 0.06 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3a12 h VAL 330 Cb 0.08 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3a12 h VAL 330 CO -0.11 0.33 0.63 0.40 0.02 0.00 0.00 177.57 178.85 3a12 h ILE 331 N 0.89 1.14 -0.49 4.57 2.04 -1.14 -1.71 117.51 122.81 3a12 h ILE 331 Ca 0.19 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3a12 h ILE 331 Cb 0.33 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3a12 h ILE 331 CO 0.00 0.22 -0.12 1.56 0.00 0.00 0.00 178.15 179.80 3a12 h GLN 332 N 1.19 0.91 0.03 2.37 1.08 -0.58 -0.79 115.11 119.32 3a12 h GLN 332 Ca 0.40 -0.33 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3a12 h GLN 332 Cb 0.07 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3a12 h GLN 332 CO -0.13 0.98 -0.15 -0.91 -0.95 0.00 0.00 178.83 177.67 3a12 h ASN 333 N 0.81 -0.43 -0.53 1.46 2.35 -0.76 -0.97 115.58 117.51 3a12 h ASN 333 Ca 0.13 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 3a12 h ASN 333 Cb 0.66 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.16 3a12 h ASN 333 CO 0.05 -0.21 0.29 0.00 -1.65 0.00 0.00 177.43 175.90 3a12 h ALA 334 N 0.65 0.68 -0.62 -0.83 0.00 -1.23 -2.41 119.26 115.51 3a12 h ALA 334 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a12 h ALA 334 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3a12 h ALA 334 CO -0.12 -0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.43 3a12 h ARG 335 N 0.56 0.87 0.00 0.00 3.08 -0.82 -2.36 114.38 115.71 3a12 h ARG 335 Ca 0.23 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3a12 h ARG 335 Cb 0.10 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3a12 h ARG 335 CO -0.14 0.66 -0.15 0.97 -1.07 0.00 0.00 179.97 180.24 3a12 h ILE 336 N 0.84 0.39 -0.00 2.04 6.09 -0.95 -0.78 117.51 125.14 3a12 h ILE 336 Ca 0.22 -0.91 -0.14 0.00 -1.37 0.00 0.00 64.86 62.65 3a12 h ILE 336 Cb 0.05 1.67 -0.02 0.00 0.47 0.00 0.00 36.82 38.99 3a12 h ILE 336 CO -0.03 0.15 -0.67 -0.07 -3.07 0.00 0.00 178.15 174.45 3a12 h LEU 337 N 0.00 0.02 0.00 2.19 3.38 -0.93 -3.41 115.31 116.57 3a12 h LEU 337 Ca -0.00 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3a12 h LEU 337 Cb 0.66 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3a12 h LEU 337 CO 0.02 0.69 -1.89 0.54 0.09 0.00 0.00 178.44 177.88 3a12 n ARG 338 N -3.75 0.69 -2.55 1.13 1.74 -0.84 -0.66 116.66 112.43 3a12 n ARG 338 Ca -0.01 0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 3a12 n ARG 338 Cb 0.66 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 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 -2.31 4.19 0.18 5.56 2.02 -0.36 -4.55 118.70 123.43 3a12 s GLU 339 Ca -0.19 1.50 0.20 0.00 0.02 0.00 0.00 54.97 56.51 3a12 s GLU 339 Cb 0.05 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 3a12 s GLU 339 CO 0.39 -0.12 1.06 0.66 0.02 0.00 0.00 175.26 177.27 3a12 h SER 340 N 2.53 0.00 -2.94 -0.19 4.64 -1.91 -3.42 113.55 112.26 3a12 h SER 340 Ca -0.48 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.29 3a12 h SER 340 Cb 1.21 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.90 3a12 h SER 340 CO 0.62 0.24 -0.77 -2.28 -0.87 0.00 0.00 176.83 173.77 3a12 s HIS 341 N -3.17 0.79 -0.12 4.77 5.65 -1.26 -0.22 115.29 121.74 3a12 s HIS 341 Ca -0.00 -1.14 -0.23 0.00 0.25 0.00 0.00 55.06 53.94 3a12 s HIS 341 Cb 0.09 -1.16 -0.03 0.00 -1.18 0.00 0.00 32.58 30.29 3a12 s HIS 341 CO 0.78 -0.82 0.72 -0.47 -0.65 0.00 0.00 174.74 174.29 3a12 s TYR 342 N 1.93 3.50 -0.15 3.88 5.04 0.12 -4.94 117.35 126.73 3a12 s TYR 342 Ca 0.09 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 3a12 s TYR 342 Cb -0.16 -2.85 0.02 0.00 0.35 0.00 0.00 41.96 39.31 3a12 s TYR 342 CO -0.31 -0.05 -0.18 0.15 -1.34 0.00 0.00 175.55 173.82 3a12 s LYS 343 N 1.36 2.74 0.57 4.97 1.02 -1.26 -0.97 119.74 128.16 3a12 s LYS 343 Ca 0.36 -0.74 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 3a12 s LYS 343 Cb -0.17 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 3a12 s LYS 343 CO 0.15 -0.15 1.12 -1.25 -0.92 0.00 0.00 175.35 174.30 3a12 s PRO 344 N 1.19 3.24 0.72 -1.68 0.04 -1.26 -4.98 135.00 132.26 3a12 s PRO 344 Ca 0.01 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 3a12 s PRO 344 Cb -0.14 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3a12 s PRO 344 CO -0.09 -0.93 0.79 -0.25 0.04 0.00 0.00 177.00 176.56 3a12 n ASP 345 N -1.54 -0.19 -0.32 6.66 8.00 -1.26 -4.88 116.55 123.02 3a12 n ASP 345 Ca 0.11 0.64 0.17 0.00 0.71 0.00 0.00 54.79 56.42 3a12 n ASP 345 Cb 0.51 -1.33 0.36 0.00 -0.02 0.00 0.00 41.12 40.65 3a12 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3a12 h GLU 346 N -0.28 0.32 -0.57 -1.24 4.81 -2.02 -1.40 114.58 114.21 3a12 h GLU 346 Ca -0.47 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 3a12 h GLU 346 Cb 1.34 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 3a12 h GLU 346 CO 0.45 0.21 0.06 0.27 -0.73 0.00 0.00 179.01 179.28 3a12 n ASN 347 N -5.09 5.22 -4.55 1.04 6.94 -1.26 -4.90 115.26 112.65 3a12 n ASN 347 Ca 0.25 -3.04 -0.43 0.00 -0.02 0.00 0.00 54.58 51.35 3a12 n ASN 347 Cb 0.78 -0.68 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 3a12 n ASN 347 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3a12 s ASP 348 N -1.05 6.46 0.00 0.53 -1.08 -0.53 -4.89 116.67 116.11 3a12 s ASP 348 Ca 0.53 0.01 0.27 0.00 -0.52 0.00 0.00 52.55 52.84 3a12 s ASP 348 Cb 0.41 -2.44 0.95 0.00 -1.46 0.00 0.00 42.92 40.39 3a12 s ASP 348 CO 0.14 -1.05 1.69 1.33 0.52 0.00 0.00 175.17 177.79 3a12 n VAL 349 N 6.34 0.00 -0.10 1.11 0.24 -1.26 -4.27 118.33 120.39 3a12 n VAL 349 Ca 0.05 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 3a12 n VAL 349 Cb 0.48 0.48 -0.15 0.00 -1.47 0.00 0.00 33.84 33.19 3a12 n VAL 349 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3a12 n PHE 350 N -0.06 0.09 -4.41 6.34 3.72 -1.26 -4.97 117.46 116.91 3a12 n PHE 350 Ca 0.17 0.03 -0.29 0.00 -0.05 0.00 0.00 57.45 57.31 3a12 n PHE 350 Cb 0.36 -1.01 -0.13 0.00 -0.94 0.00 0.00 39.48 37.75 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 -2.51 2.31 0.15 1.38 3.76 -1.26 -4.16 115.29 114.95 3a12 s HIS 351 Ca -0.18 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.41 3a12 s HIS 351 Cb 0.07 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 3a12 s HIS 351 CO 0.75 0.33 0.01 -0.51 -0.85 0.00 0.00 174.74 174.48 3a12 s LEU 352 N -2.03 3.40 0.22 0.89 1.43 -1.26 -4.74 118.68 116.58 3a12 s LEU 352 Ca 0.14 -0.30 -0.32 0.00 -1.03 0.00 0.00 54.13 52.62 3a12 s LEU 352 Cb -0.10 -2.08 -0.13 0.00 0.03 0.00 0.00 46.19 43.91 3a12 s LEU 352 CO 0.06 0.12 1.56 1.21 0.23 0.00 0.00 176.35 179.52 3a12 n GLU 353 N 0.09 2.36 -3.70 1.70 2.13 -1.26 -4.68 120.64 117.28 3a12 n GLU 353 Ca -0.10 0.84 -0.17 0.00 0.66 0.00 0.00 57.16 58.39 3a12 n GLU 353 Cb 0.54 -2.60 -0.17 0.00 0.27 0.00 0.00 31.44 29.49 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 0.25 -0.02 -0.05 5.31 2.00 -0.14 -4.99 119.66 122.01 3a12 s GLN 354 Ca 0.72 0.39 -0.12 0.00 -2.00 0.00 0.00 55.36 54.35 3a12 s GLN 354 Cb -0.60 -0.36 -0.05 0.00 0.80 0.00 0.00 33.01 32.80 3a12 s GLN 354 CO 0.43 -0.28 0.31 0.15 -0.50 0.00 0.00 175.29 175.40 3a12 s LYS 355 N 1.88 3.76 0.00 1.67 1.02 -1.26 0.16 119.74 126.96 3a12 s LYS 355 Ca 0.00 0.20 0.14 0.00 0.02 0.00 0.00 55.97 56.33 3a12 s LYS 355 Cb -0.12 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 3a12 s LYS 355 CO -0.04 0.71 0.79 1.19 -0.92 0.00 0.00 175.35 177.08 3a12 n PHE 356 N 1.94 0.00 0.00 3.18 3.72 0.70 -4.92 117.46 122.08 3a12 n PHE 356 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3a12 n PHE 356 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.01 0.00 1.52 1.38 4.01 -1.25 -1.03 117.16 121.78 3a12 n TYR 357 Ca 0.06 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.94 3a12 n TYR 357 Cb 0.29 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 39.94 3a12 n TYR 357 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3a12 n SER 358 N 6.01 0.74 -4.64 7.72 2.88 -1.26 -4.85 113.62 120.23 3a12 n SER 358 Ca 0.00 -0.94 -0.42 0.00 -1.33 0.00 0.00 58.87 56.17 3a12 n SER 358 Cb 0.00 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 3a12 n SER 358 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3a12 s ILE 359 N -2.26 3.21 0.81 2.46 -1.09 -0.19 -4.95 121.20 119.18 3a12 s ILE 359 Ca 0.34 0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.88 3a12 s ILE 359 Cb 0.21 -3.20 0.09 0.00 -1.58 0.00 0.00 42.46 37.97 3a12 s ILE 359 CO 0.42 -0.07 1.15 -0.54 -1.23 0.00 0.00 174.94 174.67 3a12 s LYS 360 N 5.00 1.74 0.33 2.79 1.02 -1.26 -4.93 119.74 124.43 3a12 s LYS 360 Ca 0.87 1.51 -0.27 0.00 0.02 0.00 0.00 55.97 58.09 3a12 s LYS 360 Cb -0.35 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 3a12 s LYS 360 CO 0.36 -2.09 1.11 0.00 -0.92 0.00 0.00 175.35 173.81 3a12 s ALA 361 N -2.51 3.30 0.12 5.17 0.00 -1.26 -4.47 121.76 122.11 3a12 s ALA 361 Ca 0.67 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.54 3a12 s ALA 361 Cb -0.23 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3a12 s ALA 361 CO 0.53 -0.25 0.18 0.00 0.00 0.00 0.00 175.76 176.22 3a12 s ALA 362 N -1.32 3.75 -0.35 0.00 0.00 0.17 -1.21 121.76 122.81 3a12 s ALA 362 Ca 0.50 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 3a12 s ALA 362 Cb -0.30 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.27 3a12 s ALA 362 CO 0.38 0.62 1.07 -0.06 0.00 0.00 0.00 175.76 177.77 3a12 s PHE 363 N -1.63 3.08 0.26 0.00 0.08 0.72 -4.32 117.98 116.18 3a12 s PHE 363 Ca 0.32 1.07 -0.30 0.00 0.12 0.00 0.00 56.93 58.15 3a12 s PHE 363 Cb -0.11 -3.82 -0.11 0.00 -0.57 0.00 0.00 43.02 38.41 3a12 s PHE 363 CO 0.25 -0.86 1.52 -2.14 -0.10 0.00 0.00 175.22 173.89 3a12 s PRO 364 N 3.78 4.20 -0.11 0.24 0.02 -1.26 -0.61 135.00 141.25 3a12 s PRO 364 Ca 0.45 2.43 0.02 0.00 0.02 0.00 0.00 61.00 63.92 3a12 s PRO 364 Cb -0.11 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 3a12 s PRO 364 CO 0.19 -0.53 -0.18 0.99 -0.33 0.00 0.00 177.00 177.14 3a12 s THR 365 N 0.07 2.60 -0.17 0.99 2.01 0.31 0.12 115.64 121.57 3a12 s THR 365 Ca 0.62 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 3a12 s THR 365 Cb -0.45 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 3a12 s THR 365 CO 0.45 0.54 -0.13 -0.55 -0.69 0.00 0.00 174.62 174.23 3a12 s SER 366 N 0.28 3.74 -0.00 3.53 0.15 0.45 -1.27 113.70 120.57 3a12 s SER 366 Ca -0.13 -0.47 -0.24 0.00 0.70 0.00 0.00 55.95 55.81 3a12 s SER 366 Cb -0.16 -1.59 0.05 0.00 -1.71 0.00 0.00 66.02 62.61 3a12 s SER 366 CO 0.07 0.05 0.55 -0.55 1.20 0.00 0.00 173.24 174.56 3a12 s SER 367 N 1.00 -0.48 0.00 5.45 0.15 -1.26 -1.66 113.70 116.90 3a12 s SER 367 Ca -0.02 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3a12 s SER 367 Cb -0.15 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3a12 s SER 367 CO -0.02 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.40 3a12 n GLY 368 N 0.78 2.30 2.39 9.45 0.00 -1.26 -4.54 105.19 114.31 3a12 n GLY 368 Ca -0.19 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 0.01 0.14 3.81 -0.02 0.00 -1.26 -1.84 105.19 106.04 3a12 n GLY 369 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.91 4.19 0.27 0.99 1.02 -1.26 -4.61 118.68 114.36 3a12 s LEU 370 Ca 0.00 1.62 -0.10 0.00 0.02 0.00 0.00 54.13 55.67 3a12 s LEU 370 Cb 0.00 -4.07 -0.00 0.00 0.02 0.00 0.00 46.19 42.13 3a12 s LEU 370 CO 0.00 -0.15 0.47 -1.38 0.02 0.00 0.00 176.35 175.32 3a12 s HIS 371 N -1.81 0.54 -0.06 0.29 -3.43 -1.26 -3.80 115.29 105.76 3a12 s HIS 371 Ca 0.52 -0.89 0.28 0.00 -0.80 0.00 0.00 55.06 54.18 3a12 s HIS 371 Cb -0.14 0.13 1.40 0.00 -1.43 0.00 0.00 32.58 32.54 3a12 s HIS 371 CO 0.19 -1.04 1.86 -1.35 -2.00 0.00 0.00 174.74 172.40 3a12 h PRO 372 N 2.23 0.00 -0.00 -0.38 0.11 -1.92 -1.06 132.00 130.98 3a12 h PRO 372 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3a12 h PRO 372 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a12 h PRO 372 CO 0.37 0.00 -0.19 0.41 -0.21 0.00 0.00 178.00 178.39 3a12 n GLY 373 N -0.76 -1.37 1.47 -0.55 0.00 -1.26 -4.21 105.19 98.51 3a12 n GLY 373 Ca -0.01 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.85 3a12 n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a12 n ASN 374 N -1.46 1.02 -0.24 1.61 0.23 -0.41 -4.33 115.26 111.68 3a12 n ASN 374 Ca 0.07 -2.06 0.11 0.00 -0.53 0.00 0.00 54.58 52.18 3a12 n ASN 374 Cb 0.33 -0.31 0.04 0.00 -2.08 0.00 0.00 39.78 37.76 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 0.45 0.00 -0.04 1.53 -5.35 -1.18 -4.41 119.36 110.37 3a12 n ILE 375 Ca 0.06 -0.13 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 3a12 n ILE 375 Cb 1.14 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.91 3a12 n ILE 375 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3a12 h GLN 376 N 1.20 0.22 -1.01 6.28 1.08 -1.87 -1.68 115.11 119.33 3a12 h GLN 376 Ca 0.00 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3a12 h GLN 376 Cb 0.61 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 3a12 h GLN 376 CO 0.00 0.49 0.66 -1.35 -0.95 0.00 0.00 178.83 177.68 3a12 h PRO 377 N -0.06 1.23 -0.04 1.46 0.11 -1.95 0.13 132.00 132.88 3a12 h PRO 377 Ca 0.03 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3a12 h PRO 377 Cb 0.40 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3a12 h PRO 377 CO 0.01 0.81 0.01 0.28 -0.21 0.00 0.00 178.00 178.90 3a12 h VAL 378 N 1.26 1.16 0.00 3.15 2.07 -1.75 -0.90 116.25 121.25 3a12 h VAL 378 Ca 0.41 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3a12 h VAL 378 Cb 0.02 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3a12 h VAL 378 CO -0.13 0.13 -0.29 0.40 0.02 0.00 0.00 177.57 177.70 3a12 h ILE 379 N -0.14 1.12 0.06 4.57 2.04 -1.06 -0.67 117.51 123.43 3a12 h ILE 379 Ca 0.01 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 3a12 h ILE 379 Cb 0.20 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3a12 h ILE 379 CO -0.00 0.29 -0.03 -0.33 0.00 0.00 0.00 178.15 178.08 3a12 h GLU 380 N 0.00 -0.07 -0.44 2.37 5.08 -0.64 -0.50 114.58 120.37 3a12 h GLU 380 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3a12 h GLU 380 Cb 0.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3a12 h GLU 380 CO 0.04 0.29 -0.22 0.00 -1.00 0.00 0.00 179.01 178.12 3a12 h ALA 381 N 0.47 0.62 0.00 3.43 0.00 -0.99 -3.35 119.26 119.43 3a12 h ALA 381 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3a12 h ALA 381 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a12 h ALA 381 CO 0.01 0.60 -1.61 1.28 0.00 0.00 0.00 179.25 179.54 3a12 n LEU 382 N -4.16 0.27 0.00 0.00 4.77 -0.28 -4.90 117.00 112.70 3a12 n LEU 382 Ca -0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3a12 n LEU 382 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3a12 n LEU 382 CO 0.46 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3a12 n GLY 383 N 1.40 -1.88 0.00 -0.72 0.00 -0.20 -4.64 105.19 99.16 3a12 n GLY 383 Ca -0.01 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.00 -1.45 2.61 -2.24 -1.26 -4.45 114.28 107.48 3a12 n THR 384 Ca 0.00 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 3a12 n THR 384 Cb 0.00 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.72 8.09 -4.23 3.42 8.00 -1.26 -3.08 116.55 125.77 3a12 n ASP 385 Ca 0.01 -2.67 -0.13 0.00 0.71 0.00 0.00 54.79 52.71 3a12 n ASP 385 Cb 0.38 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.84 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 1.88 0.82 -0.19 0.53 -4.36 -1.26 -4.32 121.20 114.30 3a12 s ILE 386 Ca 0.65 -1.99 -0.08 0.00 -0.26 0.00 0.00 60.65 58.97 3a12 s ILE 386 Cb 0.17 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 3a12 s ILE 386 CO -0.07 -0.62 0.09 -0.69 0.24 0.00 0.00 174.94 173.88 3a12 s VAL 387 N -3.56 5.00 -0.13 8.37 1.01 0.12 -2.22 120.40 129.00 3a12 s VAL 387 Ca 0.20 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 3a12 s VAL 387 Cb 0.05 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3a12 s VAL 387 CO 0.01 0.45 0.07 -0.76 0.00 0.00 0.00 175.10 174.88 3a12 s LEU 388 N 0.36 3.96 -0.17 3.92 1.43 0.13 -0.41 118.68 127.90 3a12 s LEU 388 Ca 0.05 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3a12 s LEU 388 Cb -0.12 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3a12 s LEU 388 CO -0.01 0.33 -0.13 -1.58 0.23 0.00 0.00 176.35 175.20 3a12 s GLN 389 N -0.56 2.20 -0.27 1.70 -0.44 -0.66 -2.00 119.66 119.63 3a12 s GLN 389 Ca 0.11 -0.71 0.03 0.00 -2.50 0.00 0.00 55.36 52.29 3a12 s GLN 389 Cb -0.12 -2.27 0.06 0.00 -1.64 0.00 0.00 33.01 29.04 3a12 s GLN 389 CO 0.02 -0.33 -0.09 -0.51 0.50 0.00 0.00 175.29 174.89 3a12 s LEU 390 N 1.43 3.48 0.00 3.68 1.02 -0.94 -4.17 118.68 123.17 3a12 s LEU 390 Ca 0.02 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.72 3a12 s LEU 390 Cb -0.14 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.56 3a12 s LEU 390 CO -0.10 -0.22 0.00 0.61 0.02 0.00 0.00 176.35 176.67 3a12 n GLY 391 N 4.44 0.64 0.50 -3.19 0.00 -1.26 -3.77 105.19 102.56 3a12 n GLY 391 Ca -0.12 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.49 -0.02 0.00 -1.89 0.59 103.07 103.24 3a12 h GLY 392 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a12 h GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a12 n GLY 393 N -1.74 -0.86 0.59 4.60 0.00 -1.25 -0.94 105.19 105.59 3a12 n GLY 393 Ca 0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.25 0.99 0.30 2.61 -1.04 0.19 -4.53 114.28 111.56 3a12 n THR 394 Ca 0.10 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.29 3a12 n THR 394 Cb 0.14 -1.79 0.91 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.48 0.00 -0.62 -4.42 3.38 -1.24 -2.66 115.31 109.26 3a12 h LEU 395 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3a12 h LEU 395 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3a12 h LEU 395 CO -0.12 0.04 -0.19 0.61 0.09 0.00 0.00 178.44 178.86 3a12 n GLY 396 N -0.68 -0.45 3.44 0.83 0.00 -0.11 -4.28 105.19 103.94 3a12 n GLY 396 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.43 -0.79 0.57 1.61 -0.00 -1.00 -4.84 115.22 110.33 3a12 n HIS 397 Ca 0.14 0.53 0.13 0.00 -0.00 0.00 0.00 57.72 58.51 3a12 n HIS 397 Cb 0.35 -1.95 0.37 0.00 -0.00 0.00 0.00 29.99 28.76 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 0.53 0.00 -0.65 1.57 0.14 -1.91 -2.82 132.00 128.85 3a12 h PRO 398 Ca -0.42 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.72 3a12 h PRO 398 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.54 3a12 h PRO 398 CO 0.49 0.00 0.00 -0.25 0.14 0.00 0.00 178.00 178.38 3a12 n ASP 399 N -2.38 3.75 0.00 1.44 8.00 -1.26 -5.07 116.55 121.03 3a12 n ASP 399 Ca 0.05 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3a12 n ASP 399 Cb 0.44 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.43 2.06 0.29 0.44 0.00 -1.07 -4.49 105.19 103.85 3a12 n GLY 400 Ca 0.22 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.11 -0.54 1.61 0.11 -1.79 -0.53 132.00 130.76 3a12 h PRO 401 Ca 0.00 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.22 3a12 h PRO 401 Cb 0.00 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.04 3a12 h PRO 401 CO 0.00 -0.07 -0.04 0.00 -0.21 0.00 0.00 178.00 177.68 3a12 h ALA 402 N 1.24 0.47 -0.27 -0.75 0.00 -1.86 0.26 119.26 118.34 3a12 h ALA 402 Ca 0.25 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 3a12 h ALA 402 Cb 0.50 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a12 h ALA 402 CO -0.61 -0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.02 3a12 h ALA 403 N 1.50 1.11 -0.60 0.00 0.00 -1.66 -2.93 119.26 116.68 3a12 h ALA 403 Ca 0.27 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 403 Cb 0.42 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3a12 h ALA 403 CO -0.48 0.55 0.16 0.78 0.00 0.00 0.00 179.25 180.26 3a12 h GLY 404 N 1.00 0.80 1.07 0.00 0.00 0.11 0.77 103.07 106.80 3a12 h GLY 404 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 3a12 h GLY 404 CO 0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 176.54 176.32 3a12 h ALA 405 N 1.46 0.64 -0.24 3.60 0.00 -1.00 -1.56 119.26 122.16 3a12 h ALA 405 Ca 0.31 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3a12 h ALA 405 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3a12 h ALA 405 CO -0.38 0.59 -0.32 0.00 0.00 0.00 0.00 179.25 179.15 3a12 h ARG 406 N 0.77 0.51 -0.43 0.00 3.08 -1.35 -1.26 114.38 115.71 3a12 h ARG 406 Ca 0.11 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3a12 h ARG 406 Cb 0.74 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3a12 h ARG 406 CO 0.06 0.77 0.07 0.00 -1.07 0.00 0.00 179.97 179.79 3a12 h ALA 407 N 1.22 1.32 -0.05 0.04 0.00 -0.61 -0.72 119.26 120.46 3a12 h ALA 407 Ca 0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3a12 h ALA 407 Cb 0.77 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3a12 h ALA 407 CO 0.06 0.48 -0.36 0.28 0.00 0.00 0.00 179.25 179.71 3a12 h VAL 408 N 0.63 1.44 0.00 0.00 2.07 -0.94 -1.95 116.25 117.51 3a12 h VAL 408 Ca 0.14 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3a12 h VAL 408 Cb 0.30 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3a12 h VAL 408 CO 0.00 0.52 0.00 0.03 0.02 0.00 0.00 177.57 178.14 3a12 h ARG 409 N -0.19 0.00 0.00 1.57 2.47 -1.07 -1.04 114.38 116.12 3a12 h ARG 409 Ca -0.03 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 3a12 h ARG 409 Cb 1.03 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3a12 h ARG 409 CO 0.07 0.00 -0.18 1.96 0.56 0.00 0.00 179.97 182.38 3a12 h GLN 410 N 0.00 0.00 -1.01 0.04 7.50 -1.06 -2.63 115.11 117.94 3a12 h GLN 410 Ca 0.00 0.00 0.25 0.00 0.50 0.00 0.00 58.65 59.40 3a12 h GLN 410 Cb 0.16 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.57 3a12 h GLN 410 CO 0.00 0.65 0.60 0.00 -1.50 0.00 0.00 178.83 178.58 3a12 h ALA 411 N -0.40 1.84 -0.22 3.87 0.00 -0.94 0.14 119.26 123.54 3a12 h ALA 411 Ca -0.04 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3a12 h ALA 411 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a12 h ALA 411 CO -0.02 -0.32 -0.07 0.82 0.00 0.00 0.00 179.25 179.65 3a12 h ILE 412 N 0.55 1.29 -0.47 0.00 2.04 -1.30 -2.25 117.51 117.37 3a12 h ILE 412 Ca 0.65 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3a12 h ILE 412 Cb 1.28 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 3a12 h ILE 412 CO -0.47 0.33 0.17 0.44 0.00 0.00 0.00 178.15 178.63 3a12 h ASP 413 N 0.17 0.18 -0.68 1.72 3.32 -0.45 -0.28 116.42 120.41 3a12 h ASP 413 Ca 0.06 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.21 3a12 h ASP 413 Cb 0.54 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 3a12 h ASP 413 CO 0.03 0.14 0.39 0.00 -1.72 0.00 0.00 179.24 178.07 3a12 h ALA 414 N 1.31 0.91 -0.07 3.45 0.00 -0.83 -2.71 119.26 121.32 3a12 h ALA 414 Ca 0.22 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 414 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3a12 h ALA 414 CO -0.22 0.09 -0.60 0.82 0.00 0.00 0.00 179.25 179.34 3a12 h ILE 415 N 0.73 1.38 0.00 0.00 2.04 -0.73 0.04 117.51 120.97 3a12 h ILE 415 Ca 0.30 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 3a12 h ILE 415 Cb 0.15 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3a12 h ILE 415 CO -0.17 0.58 -0.07 0.24 0.00 0.00 0.00 178.15 178.73 3a12 h MET 416 N 0.18 0.00 0.00 2.37 2.86 -0.83 -3.13 114.93 116.38 3a12 h MET 416 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3a12 h MET 416 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3a12 h MET 416 CO 0.09 0.07 -0.85 1.04 1.06 0.00 0.00 176.91 178.32 3a12 n GLN 417 N -3.24 1.59 0.00 1.72 6.02 -0.89 -4.99 117.38 117.59 3a12 n GLN 417 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3a12 n GLN 417 Cb 0.30 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 1.40 1.64 3.64 1.08 0.00 -0.08 -5.02 105.19 107.85 3a12 n GLY 418 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.36 3.52 0.41 -0.61 1.01 -0.71 -4.95 121.20 117.51 3a12 s ILE 419 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 3a12 s ILE 419 Cb 0.00 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 3a12 s ILE 419 CO 0.00 -0.15 0.91 -2.65 0.00 0.00 0.00 174.94 173.05 3a12 n PRO 420 N 7.55 1.16 -0.19 2.79 -0.02 -1.26 -4.34 135.00 140.68 3a12 n PRO 420 Ca 0.19 0.42 -0.06 0.00 -2.02 0.00 0.00 63.50 62.03 3a12 n PRO 420 Cb 0.44 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.40 0.62 -1.41 2.45 3.38 -1.93 -0.12 115.31 119.70 3a12 h LEU 421 Ca -0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3a12 h LEU 421 Cb 1.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3a12 h LEU 421 CO 0.56 0.45 -0.21 0.44 0.09 0.00 0.00 178.44 179.77 3a12 h ASP 422 N 0.74 0.00 0.39 -0.43 3.32 -1.99 0.21 116.42 118.66 3a12 h ASP 422 Ca 0.21 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.94 3a12 h ASP 422 Cb -0.07 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.51 3a12 h ASP 422 CO -0.06 0.21 -1.42 -0.33 -1.72 0.00 0.00 179.24 175.92 3a12 h GLU 423 N 0.00 0.43 -0.15 3.56 4.39 -1.80 -3.34 114.58 117.67 3a12 h GLU 423 Ca -0.00 -0.74 -0.10 0.00 0.34 0.00 0.00 59.36 58.86 3a12 h GLU 423 Cb 0.60 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 3a12 h GLU 423 CO 0.03 1.35 -0.33 -0.92 -1.16 0.00 0.00 179.01 177.97 3a12 h TYR 424 N 0.12 0.33 0.00 4.33 3.20 -0.41 -2.77 116.97 121.77 3a12 h TYR 424 Ca -0.22 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3a12 h TYR 424 Cb 2.10 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 40.29 3a12 h TYR 424 CO 0.10 0.59 0.00 0.00 -1.64 0.00 0.00 178.16 177.22 3a12 n ALA 425 N -2.48 1.30 0.08 1.82 0.00 0.00 -1.65 120.51 119.59 3a12 n ALA 425 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 3a12 n ALA 425 Cb 0.43 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3a12 n ALA 425 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3a12 h LYS 426 N 0.00 0.22 -0.65 0.00 2.10 -1.66 -3.27 116.57 113.30 3a12 h LYS 426 Ca 0.00 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3a12 h LYS 426 Cb 0.11 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3a12 h LYS 426 CO 0.00 0.97 0.00 0.25 -2.00 0.00 0.00 179.45 178.67 3a12 n THR 427 N -3.66 0.93 -3.32 0.07 -2.24 -0.66 -4.86 114.28 100.55 3a12 n THR 427 Ca -0.04 -0.97 -0.07 0.00 -2.27 0.00 0.00 64.05 60.70 3a12 n THR 427 Cb 0.82 0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.06 -0.96 0.20 4.78 4.02 -1.17 -5.05 115.29 116.05 3a12 s HIS 428 Ca 0.45 0.88 0.02 0.00 1.02 0.00 0.00 55.06 57.43 3a12 s HIS 428 Cb 0.24 0.07 0.14 0.00 -1.02 0.00 0.00 32.58 32.00 3a12 s HIS 428 CO 0.31 -0.78 1.48 1.57 1.02 0.00 0.00 174.74 178.35 3a12 h LYS 429 N 8.16 0.30 -0.26 1.40 -0.00 -1.89 -2.25 116.57 122.03 3a12 h LYS 429 Ca -0.18 -0.24 0.02 0.00 -0.00 0.00 0.00 60.65 60.25 3a12 h LYS 429 Cb 1.15 0.05 -0.02 0.00 -0.00 0.00 0.00 32.23 33.40 3a12 h LYS 429 CO 0.27 0.88 0.11 0.93 -0.00 0.00 0.00 179.45 181.64 3a12 h GLU 430 N 0.21 0.23 0.24 0.07 3.07 -1.92 -0.45 114.58 116.04 3a12 h GLU 430 Ca -0.02 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3a12 h GLU 430 Cb 1.24 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3a12 h GLU 430 CO 0.11 0.16 -0.11 1.25 -1.40 0.00 0.00 179.01 179.01 3a12 h LEU 431 N 0.24 -0.27 -0.78 1.33 5.85 -1.80 -2.86 115.31 117.03 3a12 h LEU 431 Ca 0.11 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.02 3a12 h LEU 431 Cb 0.05 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.02 3a12 h LEU 431 CO -0.09 -0.19 0.10 0.00 -0.34 0.00 0.00 178.44 177.91 3a12 h ALA 432 N 0.44 0.93 0.00 1.25 0.00 -0.99 -0.29 119.26 120.60 3a12 h ALA 432 Ca -0.03 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3a12 h ALA 432 Cb 0.25 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3a12 h ALA 432 CO 0.05 -0.41 -0.30 0.00 0.00 0.00 0.00 179.25 178.59 3a12 h ARG 433 N 0.17 0.00 -0.03 0.00 2.47 -0.97 -1.42 114.38 114.60 3a12 h ARG 433 Ca 0.44 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.12 3a12 h ARG 433 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 3a12 h ARG 433 CO -0.62 0.30 -0.14 0.00 0.56 0.00 0.00 179.97 180.06 3a12 h ALA 434 N 1.70 0.05 -0.42 0.04 0.00 -0.85 -2.97 119.26 116.81 3a12 h ALA 434 Ca -0.00 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.60 3a12 h ALA 434 Cb 0.68 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 3a12 h ALA 434 CO 0.04 -0.01 -0.32 -0.07 0.00 0.00 0.00 179.25 178.89 3a12 h LEU 435 N -0.47 -1.07 -1.90 0.00 4.07 -1.18 0.95 115.31 115.71 3a12 h LEU 435 Ca -0.01 0.19 0.05 0.00 0.08 0.00 0.00 57.88 58.20 3a12 h LEU 435 Cb 0.82 0.51 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 3a12 h LEU 435 CO 0.03 -0.31 0.41 -0.08 -1.08 0.00 0.00 178.44 177.41 3a12 h GLU 436 N -0.23 0.00 0.01 1.13 4.81 -1.26 1.26 114.58 120.29 3a12 h GLU 436 Ca 0.18 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.05 3a12 h GLU 436 Cb 0.53 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 3a12 h GLU 436 CO -0.55 0.00 -1.97 1.17 -0.73 0.00 0.00 179.01 176.92 3a12 n LYS 437 N -3.21 0.59 0.00 1.92 0.00 0.22 -4.65 118.16 113.03 3a12 n LYS 437 Ca 0.02 0.39 0.01 0.00 0.00 0.00 0.00 58.31 58.74 3a12 n LYS 437 Cb 0.52 -1.61 -0.01 0.00 0.00 0.00 0.00 35.03 33.92 3a12 n LYS 437 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 3a12 n TRP 438 N -4.24 0.00 0.00 5.64 8.01 -0.55 -5.07 117.44 121.22 3a12 n TRP 438 Ca -0.44 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.75 3a12 n TRP 438 Cb 0.81 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.11 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 0.87 1.44 0.43 6.99 0.00 0.43 -2.18 105.19 113.16 3a12 n GLY 439 Ca 0.01 0.43 0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 0.35 0.00 -1.80 1.61 8.25 -1.26 -4.25 115.22 118.12 3a12 n HIS 440 Ca 0.00 -0.16 -0.31 0.00 -0.26 0.00 0.00 57.72 56.99 3a12 n HIS 440 Cb 0.00 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.07 3a12 n HIS 440 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3a12 s VAL 441 N -0.46 4.23 -0.35 1.59 -7.23 -0.93 -4.75 120.40 112.50 3a12 s VAL 441 Ca 0.05 0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 60.93 3a12 s VAL 441 Cb 0.04 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.45 3a12 s VAL 441 CO 0.00 -0.87 0.16 -0.89 -0.31 0.00 0.00 175.10 173.20 3a12 s THR 442 N -2.95 4.32 0.37 5.32 2.01 -1.26 -4.81 115.64 118.63 3a12 s THR 442 Ca 0.58 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 3a12 s THR 442 Cb -0.13 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 3a12 s THR 442 CO 0.50 -0.14 1.36 -2.84 -0.69 0.00 0.00 174.62 172.80 3a12 s PRO 443 N 1.52 4.15 0.00 4.92 0.02 -1.26 -4.98 135.00 139.36 3a12 s PRO 443 Ca 0.02 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3a12 s PRO 443 Cb -0.19 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3a12 s PRO 443 CO 0.05 -0.40 0.00 0.28 -0.33 0.00 0.00 177.00 176.61