#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 n TYR 9 N 0.00 0.00 0.27 9.51 4.01 -1.26 -4.39 117.16 125.30 3a12 n TYR 9 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 3a12 n TYR 9 Cb 0.00 -0.09 0.76 0.00 -0.31 0.00 0.00 39.34 39.70 3a12 n TYR 9 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3a12 h ASP 10 N 1.46 0.00 -0.03 7.72 3.32 -1.92 -2.33 116.42 124.63 3a12 h ASP 10 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3a12 h ASP 10 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3a12 h ASP 10 CO 0.00 0.05 0.07 0.22 -1.72 0.00 0.00 179.24 177.86 3a12 h TYR 11 N 0.00 0.00 -0.46 4.55 3.20 -1.97 -2.36 116.97 119.93 3a12 h TYR 11 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a12 h TYR 11 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 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 -3.38 0.60 -3.87 -3.82 4.01 -0.88 -4.78 117.16 105.05 3a12 n TYR 12 Ca -0.02 -0.30 -0.36 0.00 -0.16 0.00 0.00 57.90 57.06 3a12 n TYR 12 Cb 0.15 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.40 4.46 -0.39 -0.72 1.01 -0.89 -0.49 120.40 121.97 3a12 s VAL 13 Ca 0.39 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3a12 s VAL 13 Cb 0.21 -3.06 0.16 0.00 0.00 0.00 0.00 36.38 33.70 3a12 s VAL 13 CO 0.29 0.38 0.40 -0.62 0.00 0.00 0.00 175.10 175.55 3a12 s ASP 14 N 1.18 1.04 0.17 3.32 -1.08 -0.29 -4.93 116.67 116.09 3a12 s ASP 14 Ca 0.04 -1.90 0.18 0.00 -0.52 0.00 0.00 52.55 50.35 3a12 s ASP 14 Cb -0.14 0.47 0.79 0.00 -1.46 0.00 0.00 42.92 42.58 3a12 s ASP 14 CO 0.03 -0.22 1.54 0.29 0.52 0.00 0.00 175.17 177.33 3a12 n LYS 15 N 3.85 0.11 0.08 4.34 5.02 -1.26 -2.03 118.16 128.26 3a12 n LYS 15 Ca 0.15 0.43 -0.05 0.00 -2.02 0.00 0.00 58.31 56.82 3a12 n LYS 15 Cb 0.46 -1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 3a12 n LYS 15 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3a12 h GLY 16 N 1.61 0.00 -4.40 0.72 0.00 -1.92 -3.47 103.07 95.61 3a12 h GLY 16 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3a12 h GLY 16 CO 0.00 0.00 0.87 2.98 0.00 0.00 0.00 176.54 180.39 3a12 n TYR 17 N -3.32 2.77 -3.88 5.60 9.36 -0.86 -5.00 117.16 121.84 3a12 n TYR 17 Ca 0.00 0.24 -0.35 0.00 3.32 0.00 0.00 57.90 61.11 3a12 n TYR 17 Cb 0.89 -2.59 -0.14 0.00 -0.63 0.00 0.00 39.34 36.87 3a12 n TYR 17 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3a12 s GLU 18 N -0.27 3.37 0.48 2.98 -1.05 -1.26 -4.91 118.70 118.04 3a12 s GLU 18 Ca 0.66 -0.63 -0.23 0.00 -0.15 0.00 0.00 54.97 54.61 3a12 s GLU 18 Cb -0.51 -3.07 -0.07 0.00 -0.44 0.00 0.00 34.13 30.04 3a12 s GLU 18 CO 0.46 -0.22 1.25 -1.25 0.95 0.00 0.00 175.26 176.46 3a12 s PRO 19 N 1.49 3.61 -0.18 -4.83 0.04 -1.26 -4.98 135.00 128.88 3a12 s PRO 19 Ca 0.05 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 3a12 s PRO 19 Cb -0.15 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 3a12 s PRO 19 CO -0.02 -0.74 0.76 0.45 0.04 0.00 0.00 177.00 177.49 3a12 s SER 20 N -1.10 6.85 0.59 6.66 0.15 -1.26 -4.94 113.70 120.64 3a12 s SER 20 Ca 0.65 1.04 0.37 0.00 0.70 0.00 0.00 55.95 58.71 3a12 s SER 20 Cb -0.34 -2.41 1.73 0.00 -1.71 0.00 0.00 66.02 63.28 3a12 s SER 20 CO 0.42 -0.36 2.11 0.11 1.20 0.00 0.00 173.24 176.72 3a12 h LYS 21 N 7.40 0.00 0.00 5.44 1.57 -1.94 -1.57 116.57 127.47 3a12 h LYS 21 Ca -0.30 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 3a12 h LYS 21 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3a12 h LYS 21 CO 0.81 0.00 -1.77 1.63 -0.57 0.00 0.00 179.45 179.56 3a12 n LYS 22 N -3.06 0.65 -0.00 3.15 4.76 -1.26 -4.55 118.16 117.84 3a12 n LYS 22 Ca -0.01 -0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.46 3a12 n LYS 22 Cb 0.22 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.73 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 -2.58 3.55 -4.73 1.97 1.74 -1.09 -4.64 116.66 110.87 3a12 n ARG 23 Ca -0.11 -0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.63 3a12 n ARG 23 Cb 0.75 -0.90 -0.13 0.00 -1.02 0.00 0.00 32.46 31.16 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 -1.93 4.23 0.14 0.55 1.01 -0.61 -1.11 116.67 118.95 3a12 s ASP 24 Ca 0.01 -0.22 -0.27 0.00 0.71 0.00 0.00 52.55 52.79 3a12 s ASP 24 Cb 0.05 -1.37 -0.07 0.00 1.01 0.00 0.00 42.92 42.54 3a12 s ASP 24 CO 0.26 0.24 0.83 -0.63 0.21 0.00 0.00 175.17 176.09 3a12 s ILE 25 N -0.11 4.43 -0.15 0.77 1.09 0.77 -4.23 121.20 123.77 3a12 s ILE 25 Ca -0.00 1.80 0.02 0.00 -1.10 0.00 0.00 60.65 61.36 3a12 s ILE 25 Cb -0.13 -4.19 0.01 0.00 -1.06 0.00 0.00 42.46 37.08 3a12 s ILE 25 CO 0.03 0.45 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.49 3a12 s ILE 26 N -0.70 2.22 -0.22 2.92 -1.09 -1.09 -0.28 121.20 122.97 3a12 s ILE 26 Ca 0.39 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.80 3a12 s ILE 26 Cb -0.23 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 3a12 s ILE 26 CO 0.27 0.54 0.11 0.00 -1.23 0.00 0.00 174.94 174.63 3a12 s ALA 27 N 0.83 3.48 -0.31 9.38 0.00 0.26 -0.23 121.76 135.18 3a12 s ALA 27 Ca -0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 3a12 s ALA 27 Cb -0.15 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 3a12 s ALA 27 CO -0.02 -0.07 0.33 0.08 0.00 0.00 0.00 175.76 176.08 3a12 s VAL 28 N 0.83 5.20 -0.05 0.00 1.01 -0.28 -0.94 120.40 126.17 3a12 s VAL 28 Ca 0.06 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.31 3a12 s VAL 28 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3a12 s VAL 28 CO 0.02 0.06 -0.15 -0.36 0.00 0.00 0.00 175.10 174.66 3a12 s PHE 29 N 1.98 2.67 -0.49 5.22 0.08 0.93 -0.04 117.98 128.34 3a12 s PHE 29 Ca 0.12 -0.18 -0.19 0.00 0.12 0.00 0.00 56.93 56.79 3a12 s PHE 29 Cb -0.16 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 3a12 s PHE 29 CO 0.11 0.17 0.60 0.50 -0.10 0.00 0.00 175.22 176.49 3a12 s ARG 30 N -0.73 3.13 -0.15 0.44 3.52 0.12 0.74 118.95 126.03 3a12 s ARG 30 Ca 0.11 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.83 3a12 s ARG 30 Cb -0.11 -4.06 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 3a12 s ARG 30 CO 0.00 -1.14 0.06 0.08 -0.81 0.00 0.00 175.30 173.49 3a12 s VAL 31 N 2.56 4.76 -0.30 7.11 1.01 0.23 -1.40 120.40 134.37 3a12 s VAL 31 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3a12 s VAL 31 Cb -0.18 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.17 3a12 s VAL 31 CO 0.13 0.51 -0.01 -0.89 0.00 0.00 0.00 175.10 174.84 3a12 s THR 32 N -0.09 2.09 0.68 3.92 2.01 -0.36 -1.42 115.64 122.48 3a12 s THR 32 Ca 0.06 -1.94 -0.16 0.00 0.31 0.00 0.00 61.69 59.96 3a12 s THR 32 Cb -0.12 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.00 3a12 s THR 32 CO 0.01 -0.35 1.23 -2.84 -0.69 0.00 0.00 174.62 171.98 3a12 s PRO 33 N 1.06 2.39 0.96 4.92 0.02 -1.26 0.11 135.00 143.20 3a12 s PRO 33 Ca 0.02 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 3a12 s PRO 33 Cb -0.19 -1.85 0.17 0.00 0.02 0.00 0.00 34.50 32.64 3a12 s PRO 33 CO -0.08 -1.67 1.09 0.00 -0.33 0.00 0.00 177.00 176.01 3a12 s ALA 34 N -1.76 1.08 -0.14 -1.55 0.00 0.11 -3.95 121.76 115.54 3a12 s ALA 34 Ca 0.77 -0.07 -0.34 0.00 0.00 0.00 0.00 51.96 52.32 3a12 s ALA 34 Cb -0.32 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3a12 s ALA 34 CO 0.42 -2.74 1.97 -1.91 0.00 0.00 0.00 175.76 173.49 3a12 n GLU 35 N -4.15 2.01 -0.39 0.00 4.07 -1.26 -2.71 120.64 118.20 3a12 n GLU 35 Ca 0.06 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.86 3a12 n GLU 35 Cb 0.55 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.24 3a12 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a12 n GLY 36 N 4.86 0.95 3.05 8.31 0.00 -1.26 -5.09 105.19 116.02 3a12 n GLY 36 Ca 0.26 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 3a12 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a12 s TYR 37 N -2.00 0.81 0.69 1.61 2.02 -1.10 -5.15 117.35 114.22 3a12 s TYR 37 Ca 0.00 -0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.31 3a12 s TYR 37 Cb 0.00 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.08 3a12 s TYR 37 CO 0.00 -0.02 1.06 0.95 -1.57 0.00 0.00 175.55 175.97 3a12 s THR 38 N -0.69 3.43 0.38 -0.71 -4.23 -1.26 -4.73 115.64 107.84 3a12 s THR 38 Ca -0.01 0.34 0.10 0.00 -1.18 0.00 0.00 61.69 60.94 3a12 s THR 38 Cb -0.06 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.48 3a12 s THR 38 CO 0.00 -0.55 1.89 -0.29 -0.54 0.00 0.00 174.62 175.13 3a12 h ILE 39 N -0.57 1.20 -0.58 2.99 6.09 -1.98 -1.44 117.51 123.22 3a12 h ILE 39 Ca -0.45 -0.91 -0.06 0.00 -1.37 0.00 0.00 64.86 62.06 3a12 h ILE 39 Cb 1.26 1.35 -0.02 0.00 0.47 0.00 0.00 36.82 39.87 3a12 h ILE 39 CO 0.63 0.28 0.12 -0.33 -3.07 0.00 0.00 178.15 175.78 3a12 h GLU 40 N 0.16 0.94 -0.23 2.19 3.07 -1.98 0.36 114.58 119.10 3a12 h GLU 40 Ca 0.03 -0.24 -0.12 0.00 -0.50 0.00 0.00 59.36 58.53 3a12 h GLU 40 Cb 0.46 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3a12 h GLU 40 CO 0.03 0.88 -0.37 1.96 -1.40 0.00 0.00 179.01 180.11 3a12 h GLN 41 N 0.84 0.52 0.07 2.33 4.20 -1.84 -0.08 115.11 121.16 3a12 h GLN 41 Ca 0.18 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 3a12 h GLN 41 Cb 0.37 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.16 3a12 h GLN 41 CO 0.01 0.81 -0.66 0.00 -0.67 0.00 0.00 178.83 178.32 3a12 h ALA 42 N 1.17 -0.02 -0.94 3.87 0.00 -1.10 -2.78 119.26 119.46 3a12 h ALA 42 Ca 0.04 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.39 3a12 h ALA 42 Cb 0.84 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3a12 h ALA 42 CO 0.07 0.33 0.61 0.00 0.00 0.00 0.00 179.25 180.26 3a12 h ALA 43 N 0.18 1.47 -0.48 0.00 0.00 -0.29 -1.43 119.26 118.71 3a12 h ALA 43 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a12 h ALA 43 Cb 1.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3a12 h ALA 43 CO 0.13 0.39 0.31 0.78 0.00 0.00 0.00 179.25 180.86 3a12 h GLY 44 N 1.09 0.68 1.08 0.00 0.00 -1.01 -0.60 103.07 104.31 3a12 h GLY 44 Ca 0.40 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 3a12 h GLY 44 CO -0.15 0.26 -0.04 0.00 0.00 0.00 0.00 176.54 176.61 3a12 h ALA 45 N 1.16 0.78 -0.36 3.60 0.00 -1.10 0.10 119.26 123.43 3a12 h ALA 45 Ca 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a12 h ALA 45 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3a12 h ALA 45 CO -0.04 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.35 3a12 h VAL 46 N 0.93 1.12 0.18 0.00 2.07 -0.97 -0.03 116.25 119.55 3a12 h VAL 46 Ca 0.16 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3a12 h VAL 46 Cb 0.60 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3a12 h VAL 46 CO 0.04 0.12 -0.08 0.00 0.02 0.00 0.00 177.57 177.67 3a12 h ALA 47 N 1.09 -0.24 0.41 1.67 0.00 -0.88 -2.22 119.26 119.10 3a12 h ALA 47 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a12 h ALA 47 Cb 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3a12 h ALA 47 CO -0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 179.25 178.19 3a12 h ALA 48 N 0.54 -0.93 0.00 0.00 0.00 -0.65 -2.84 119.26 115.38 3a12 h ALA 48 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a12 h ALA 48 Cb 0.21 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3a12 h ALA 48 CO 0.04 -1.06 0.00 0.39 0.00 0.00 0.00 179.25 178.62 3a12 n GLU 49 N -5.51 0.08 -0.13 0.00 -0.58 -0.04 -1.06 120.64 113.40 3a12 n GLU 49 Ca -0.11 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.04 3a12 n GLU 49 Cb 0.41 -1.64 0.23 0.00 -0.57 0.00 0.00 31.44 29.87 3a12 n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a12 n SER 50 N -1.79 3.01 0.00 1.62 3.41 -0.84 -4.80 113.62 114.23 3a12 n SER 50 Ca 0.03 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3a12 n SER 50 Cb 0.22 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3a12 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a12 n SER 51 N 1.22 0.00 -0.04 4.04 3.41 -0.48 -4.53 113.62 117.24 3a12 n SER 51 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.86 3a12 n SER 51 Cb 0.55 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 3a12 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a12 n THR 52 N 0.00 0.00 -1.23 6.66 -2.24 -1.16 -5.04 114.28 111.27 3a12 n THR 52 Ca 0.00 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 3a12 n THR 52 Cb 0.00 1.02 0.21 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.30 -2.38 3.47 3.38 0.00 -0.23 -5.03 105.19 105.71 3a12 n GLY 53 Ca 0.03 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.02 0.00 -0.94 2.61 -1.32 -1.26 -4.77 115.64 106.93 3a12 s THR 54 Ca 0.65 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.38 3a12 s THR 54 Cb -0.05 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.16 3a12 s THR 54 CO 0.49 0.00 1.79 -2.67 -2.21 0.00 0.00 174.62 172.02 3a12 n TRP 55 N 0.18 0.16 -4.20 9.09 4.27 -1.26 -4.84 117.44 120.84 3a12 n TRP 55 Ca -0.17 0.05 -0.12 0.00 -3.89 0.00 0.00 57.50 53.38 3a12 n TRP 55 Cb 0.61 -0.58 -0.10 0.00 -1.36 0.00 0.00 31.31 29.88 3a12 n TRP 55 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 3a12 s THR 56 N -3.03 0.41 0.09 -1.67 -1.32 -1.26 -4.90 115.64 103.96 3a12 s THR 56 Ca 0.11 -1.94 -0.31 0.00 -1.21 0.00 0.00 61.69 58.34 3a12 s THR 56 Cb 0.15 -2.08 -0.08 0.00 -1.51 0.00 0.00 72.50 68.98 3a12 s THR 56 CO 0.47 -0.48 1.52 0.28 -2.21 0.00 0.00 174.62 174.21 3a12 s THR 57 N -3.84 3.12 0.44 5.08 -1.32 -1.26 -5.02 115.64 112.84 3a12 s THR 57 Ca 0.24 0.69 0.08 0.00 -1.21 0.00 0.00 61.69 61.49 3a12 s THR 57 Cb 0.07 -3.45 -0.00 0.00 -1.51 0.00 0.00 72.50 67.61 3a12 s THR 57 CO 0.03 0.02 0.46 -1.48 -2.21 0.00 0.00 174.62 171.44 3a12 s LEU 58 N 1.88 3.41 0.00 9.08 -0.00 -1.26 -5.11 118.68 126.67 3a12 s LEU 58 Ca 0.69 -0.69 -0.22 0.00 -0.00 0.00 0.00 54.13 53.91 3a12 s LEU 58 Cb -0.38 -2.14 -0.05 0.00 -0.00 0.00 0.00 46.19 43.61 3a12 s LEU 58 CO 0.30 -0.76 0.64 -0.72 -0.00 0.00 0.00 176.35 175.82 3a12 s TYR 59 N -2.47 3.69 -0.90 3.48 1.13 -1.26 -5.00 117.35 116.03 3a12 s TYR 59 Ca 0.50 1.26 -0.25 0.00 -1.41 0.00 0.00 57.07 57.18 3a12 s TYR 59 Cb -0.05 -2.67 -0.04 0.00 -1.10 0.00 0.00 41.96 38.10 3a12 s TYR 59 CO 0.30 0.32 1.92 -2.14 -2.51 0.00 0.00 175.55 173.44 3a12 s PRO 60 N -0.10 2.60 0.00 -3.49 0.02 -1.26 -4.66 135.00 128.11 3a12 s PRO 60 Ca 0.33 -0.30 0.06 0.00 0.02 0.00 0.00 61.00 61.12 3a12 s PRO 60 Cb -0.19 -5.05 0.12 0.00 0.02 0.00 0.00 34.50 29.40 3a12 s PRO 60 CO 0.19 -3.31 0.94 -2.67 -0.33 0.00 0.00 177.00 171.82 3a12 n TRP 61 N 13.72 0.14 -4.24 6.54 4.27 -1.26 -5.04 117.44 131.57 3a12 n TRP 61 Ca 0.39 -0.27 -0.13 0.00 -3.89 0.00 0.00 57.50 53.60 3a12 n TRP 61 Cb 0.47 -0.02 -0.10 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.78 1.19 -0.08 -2.67 -0.85 -1.26 -5.10 117.35 107.79 3a12 s TYR 62 Ca 0.11 -0.95 -0.29 0.00 -0.52 0.00 0.00 57.07 55.41 3a12 s TYR 62 Cb 0.06 -0.67 -0.05 0.00 0.38 0.00 0.00 41.96 41.68 3a12 s TYR 62 CO 0.09 -0.14 1.72 -2.00 -1.52 0.00 0.00 175.55 173.70 3a12 s GLU 63 N -3.87 4.04 0.19 -3.49 2.12 -1.26 -4.89 118.70 111.53 3a12 s GLU 63 Ca 0.21 2.13 -0.10 0.00 0.36 0.00 0.00 54.97 57.57 3a12 s GLU 63 Cb 0.05 -4.04 0.11 0.00 0.26 0.00 0.00 34.13 30.51 3a12 s GLU 63 CO 0.02 -1.03 1.74 0.37 -0.54 0.00 0.00 175.26 175.83 3a12 h GLN 64 N 10.25 1.03 -0.72 4.30 5.75 -1.99 -2.86 115.11 130.87 3a12 h GLN 64 Ca -0.40 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 57.90 3a12 h GLN 64 Cb 1.18 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3a12 h GLN 64 CO 0.96 0.87 0.42 0.93 -2.65 0.00 0.00 178.83 179.36 3a12 h GLU 65 N 0.98 0.98 -0.00 1.69 5.08 -1.99 -0.65 114.58 120.66 3a12 h GLU 65 Ca 0.22 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3a12 h GLU 65 Cb 0.24 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3a12 h GLU 65 CO -0.01 0.71 0.00 -0.09 -1.00 0.00 0.00 179.01 178.62 3a12 h ARG 66 N 0.98 0.00 -0.35 2.33 2.43 -1.95 -1.41 114.38 116.41 3a12 h ARG 66 Ca 0.25 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.50 3a12 h ARG 66 Cb -0.01 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 3a12 h ARG 66 CO -0.05 0.12 -0.19 2.35 -1.51 0.00 0.00 179.97 180.69 3a12 h TRP 67 N -0.11 -0.48 -0.82 2.20 7.01 -1.27 -1.75 115.95 120.72 3a12 h TRP 67 Ca 0.00 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3a12 h TRP 67 Cb 0.12 0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.40 3a12 h TRP 67 CO -0.04 -0.27 0.44 0.00 -2.79 0.00 0.00 178.44 175.78 3a12 h ALA 68 N 1.09 1.23 0.00 2.65 0.00 -1.05 -2.67 119.26 120.51 3a12 h ALA 68 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3a12 h ALA 68 Cb 0.41 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a12 h ALA 68 CO -0.44 0.62 -0.10 0.22 0.00 0.00 0.00 179.25 179.55 3a12 h ASP 69 N 1.15 0.00 -0.04 0.00 3.58 -0.43 -2.89 116.42 117.78 3a12 h ASP 69 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3a12 h ASP 69 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3a12 h ASP 69 CO -0.05 0.10 0.00 0.18 -2.88 0.00 0.00 179.24 176.60 3a12 n LEU 70 N -3.31 3.00 -4.75 2.28 4.77 -0.75 -4.85 117.00 113.38 3a12 n LEU 70 Ca -0.00 -1.01 -0.40 0.00 -0.03 0.00 0.00 56.01 54.57 3a12 n LEU 70 Cb 0.32 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3a12 n LEU 70 CO 0.29 0.50 0.58 -0.44 -1.33 0.00 0.00 177.39 177.00 3a12 s SER 71 N -1.98 7.51 0.63 -1.43 0.01 -1.09 -4.72 113.70 112.62 3a12 s SER 71 Ca 0.28 1.79 -0.13 0.00 1.31 0.00 0.00 55.95 59.19 3a12 s SER 71 Cb 0.20 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 3a12 s SER 71 CO 0.30 0.13 1.05 0.00 0.41 0.00 0.00 173.24 175.12 3a12 s ALA 72 N -0.88 2.77 -0.09 1.44 0.00 -1.26 -4.75 121.76 118.99 3a12 s ALA 72 Ca 0.40 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3a12 s ALA 72 Cb -0.24 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3a12 s ALA 72 CO 0.29 -0.93 -0.07 0.15 0.00 0.00 0.00 175.76 175.20 3a12 s LYS 73 N -4.56 1.33 -0.32 0.00 -0.14 -0.22 -4.74 119.74 111.09 3a12 s LYS 73 Ca 0.60 -0.21 -0.29 0.00 -1.36 0.00 0.00 55.97 54.71 3a12 s LYS 73 Cb -0.14 -1.35 0.01 0.00 -1.68 0.00 0.00 37.83 34.67 3a12 s LYS 73 CO 0.45 -0.18 1.17 0.00 -0.76 0.00 0.00 175.35 176.03 3a12 s ALA 74 N 1.41 3.43 0.00 5.17 0.00 0.35 -0.94 121.76 131.18 3a12 s ALA 74 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3a12 s ALA 74 Cb -0.13 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3a12 s ALA 74 CO -0.04 -1.63 0.00 2.48 0.00 0.00 0.00 175.76 176.57 3a12 n TYR 75 N 7.21 0.00 -4.48 0.00 0.18 -0.81 -1.13 117.16 118.12 3a12 n TYR 75 Ca 0.13 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.66 3a12 n TYR 75 Cb 0.47 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.26 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 -1.79 1.85 -0.05 9.48 2.15 -1.22 -4.43 116.67 122.66 3a12 s ASP 76 Ca 0.00 -0.30 0.05 0.00 0.43 0.00 0.00 52.55 52.73 3a12 s ASP 76 Cb 0.00 -0.84 -0.01 0.00 -0.30 0.00 0.00 42.92 41.78 3a12 s ASP 76 CO 0.00 0.01 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.45 3a12 s PHE 77 N 0.83 1.99 -0.15 -5.34 0.08 -1.26 -1.33 117.98 112.80 3a12 s PHE 77 Ca -0.11 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 56.31 3a12 s PHE 77 Cb -0.15 -1.32 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 3a12 s PHE 77 CO 0.02 -0.19 0.10 -1.58 -0.10 0.00 0.00 175.22 173.47 3a12 s HIS 78 N -0.02 0.11 0.16 0.36 5.65 -0.57 -5.00 115.29 115.97 3a12 s HIS 78 Ca -0.04 -0.12 -0.31 0.00 0.25 0.00 0.00 55.06 54.83 3a12 s HIS 78 Cb -0.12 -0.60 -0.10 0.00 -1.18 0.00 0.00 32.58 30.57 3a12 s HIS 78 CO 0.03 -0.45 1.67 0.34 -0.65 0.00 0.00 174.74 175.67 3a12 s ASP 79 N 2.17 6.50 0.15 9.88 2.15 -1.26 -1.40 116.67 134.86 3a12 s ASP 79 Ca 0.03 2.69 0.23 0.00 0.43 0.00 0.00 52.55 55.93 3a12 s ASP 79 Cb -0.15 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3a12 s ASP 79 CO -0.08 -0.91 1.00 0.23 -0.17 0.00 0.00 175.17 175.24 3a12 n MET 80 N 4.48 0.54 -1.55 4.34 2.81 -0.14 -4.91 117.12 122.68 3a12 n MET 80 Ca 0.15 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 3a12 n MET 80 Cb 0.38 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3a12 n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a12 n GLY 81 N 1.23 0.46 0.01 3.03 0.00 -1.25 -4.91 105.19 103.77 3a12 n GLY 81 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 1.86 0.00 0.00 1.61 5.68 -1.26 -4.96 116.55 119.49 3a12 n ASP 82 Ca 0.00 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3a12 n ASP 82 Cb 0.31 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3a12 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a12 n GLY 83 N -0.00 0.57 3.36 6.12 0.00 -1.26 -5.08 105.19 108.90 3a12 n GLY 83 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.90 2.80 0.01 1.61 1.04 -1.26 -4.29 113.70 110.70 3a12 s SER 84 Ca 0.00 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.49 3a12 s SER 84 Cb 0.00 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 3a12 s SER 84 CO 0.00 -0.08 -0.07 0.26 0.98 0.00 0.00 173.24 174.33 3a12 s TRP 85 N -2.54 0.66 -0.14 5.02 0.51 -0.50 -0.97 118.94 120.98 3a12 s TRP 85 Ca 0.21 -0.19 -0.29 0.00 -2.12 0.00 0.00 56.10 53.71 3a12 s TRP 85 Cb -0.03 -0.42 -0.01 0.00 -0.81 0.00 0.00 33.47 32.20 3a12 s TRP 85 CO 0.08 -0.02 1.14 0.42 -0.51 0.00 0.00 176.95 178.07 3a12 s ILE 86 N -0.40 4.47 -0.10 2.03 -1.09 -0.49 -0.60 121.20 125.01 3a12 s ILE 86 Ca 0.01 1.77 0.03 0.00 -2.23 0.00 0.00 60.65 60.22 3a12 s ILE 86 Cb -0.04 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 3a12 s ILE 86 CO -0.00 -0.09 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.74 3a12 s VAL 87 N 2.84 1.74 -0.14 2.92 1.01 0.23 -1.52 120.40 127.48 3a12 s VAL 87 Ca 0.51 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 3a12 s VAL 87 Cb -0.20 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3a12 s VAL 87 CO 0.15 0.49 0.17 -0.13 0.00 0.00 0.00 175.10 175.77 3a12 s ARG 88 N 0.63 3.81 -0.05 2.72 0.52 -0.44 -0.05 118.95 126.10 3a12 s ARG 88 Ca -0.13 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 3a12 s ARG 88 Cb -0.16 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.02 3a12 s ARG 88 CO 0.04 0.55 -0.12 0.42 0.02 0.00 0.00 175.30 176.21 3a12 s ILE 89 N -0.40 1.09 -0.14 1.52 1.01 -0.12 -1.92 121.20 122.25 3a12 s ILE 89 Ca 0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3a12 s ILE 89 Cb -0.12 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3a12 s ILE 89 CO 0.02 0.34 0.01 0.00 0.00 0.00 0.00 174.94 175.31 3a12 s ALA 90 N 0.49 3.22 -0.05 9.38 0.00 -0.11 -0.57 121.76 134.12 3a12 s ALA 90 Ca -0.11 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3a12 s ALA 90 Cb -0.14 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 3a12 s ALA 90 CO 0.03 0.34 -0.18 0.71 0.00 0.00 0.00 175.76 176.66 3a12 s TYR 91 N -0.10 1.86 0.33 0.00 2.02 0.62 -1.05 117.35 121.03 3a12 s TYR 91 Ca 0.04 -0.58 -0.28 0.00 -0.37 0.00 0.00 57.07 55.89 3a12 s TYR 91 Cb -0.13 -1.25 -0.09 0.00 -0.40 0.00 0.00 41.96 40.09 3a12 s TYR 91 CO 0.02 -0.21 1.15 -1.25 -1.57 0.00 0.00 175.55 173.69 3a12 s PRO 92 N 0.10 4.40 0.46 -1.71 0.04 -1.26 -0.17 135.00 136.86 3a12 s PRO 92 Ca -0.06 1.86 0.16 0.00 0.04 0.00 0.00 61.00 62.99 3a12 s PRO 92 Cb -0.13 -2.97 1.08 0.00 0.04 0.00 0.00 34.50 32.52 3a12 s PRO 92 CO 0.03 -0.03 2.02 0.27 0.04 0.00 0.00 177.00 179.33 3a12 h PHE 93 N 3.31 0.00 -0.03 0.56 -5.15 -1.47 -1.72 116.94 112.43 3a12 h PHE 93 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 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 0.57 0.16 0.00 -2.39 -2.00 0.00 0.00 178.31 174.65 3a12 n HIS 94 N -4.27 0.04 0.29 6.09 1.44 -1.26 -2.55 115.22 115.00 3a12 n HIS 94 Ca -0.02 -0.02 0.14 0.00 -2.01 0.00 0.00 57.72 55.80 3a12 n HIS 94 Cb 0.23 0.00 0.39 0.00 0.12 0.00 0.00 29.99 30.73 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 3.30 1.00 -3.61 1.59 0.00 -1.65 -3.46 119.26 116.43 3a12 h ALA 95 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3a12 h ALA 95 Cb 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 3a12 h ALA 95 CO 0.00 0.00 -0.74 -0.06 0.00 0.00 0.00 179.25 178.45 3a12 s PHE 96 N -3.36 2.73 0.34 0.00 0.08 -1.06 -5.10 117.98 111.62 3a12 s PHE 96 Ca 0.05 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.66 3a12 s PHE 96 Cb 0.07 -1.45 -0.11 0.00 -0.57 0.00 0.00 43.02 40.96 3a12 s PHE 96 CO 0.60 0.40 1.47 -2.00 -0.10 0.00 0.00 175.22 175.59 3a12 s GLU 97 N -2.03 4.17 0.27 0.44 2.12 -1.26 -4.96 118.70 117.45 3a12 s GLU 97 Ca 0.20 2.48 -0.29 0.00 0.36 0.00 0.00 54.97 57.72 3a12 s GLU 97 Cb -0.11 -3.01 -0.10 0.00 0.26 0.00 0.00 34.13 31.17 3a12 s GLU 97 CO 0.12 -0.48 1.31 -1.21 -0.54 0.00 0.00 175.26 174.46 3a12 s GLU 98 N -1.60 4.38 -1.42 4.30 2.02 -1.26 -3.43 118.70 121.69 3a12 s GLU 98 Ca 0.54 2.14 -0.09 0.00 0.02 0.00 0.00 54.97 57.58 3a12 s GLU 98 Cb -0.45 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 30.69 3a12 s GLU 98 CO 0.57 -0.21 1.01 0.00 0.02 0.00 0.00 175.26 176.65 3a12 n ALA 99 N 1.73 -1.46 -3.62 5.21 0.00 -1.26 -4.95 120.51 116.16 3a12 n ALA 99 Ca 0.03 0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.38 3a12 n ALA 99 Cb 0.42 -4.31 -0.12 0.00 0.00 0.00 0.00 19.45 15.45 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 -3.55 3.07 0.11 0.00 3.84 -1.22 -4.98 114.94 112.21 3a12 s ASN 100 Ca 0.49 -3.11 -0.16 0.00 0.21 0.00 0.00 52.86 50.30 3a12 s ASN 100 Cb -0.23 -0.93 -0.04 0.00 -0.55 0.00 0.00 41.25 39.50 3a12 s ASN 100 CO 0.79 -0.18 1.55 0.25 -2.79 0.00 0.00 177.10 176.72 3a12 h LEU 101 N 5.96 0.62 -0.98 3.21 5.85 -1.92 -1.66 115.31 126.38 3a12 h LEU 101 Ca 0.15 -0.31 0.13 0.00 0.84 0.00 0.00 57.88 58.68 3a12 h LEU 101 Cb 0.88 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 3a12 h LEU 101 CO 0.49 0.78 0.61 -0.65 -0.34 0.00 0.00 178.44 179.33 3a12 h PRO 102 N 0.44 0.90 -0.54 5.25 0.11 -1.94 0.14 132.00 136.35 3a12 h PRO 102 Ca 0.10 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 3a12 h PRO 102 Cb 0.47 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3a12 h PRO 102 CO 0.02 0.59 -0.08 0.78 -0.21 0.00 0.00 178.00 179.11 3a12 h GLY 103 N 0.92 1.08 0.89 -0.55 0.00 -1.89 -1.84 103.07 101.69 3a12 h GLY 103 Ca 0.50 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3a12 h GLY 103 CO -0.29 0.77 0.04 -2.00 0.00 0.00 0.00 176.54 175.06 3a12 h LEU 104 N 0.90 0.12 -1.53 3.11 5.85 -0.47 -2.91 115.31 120.38 3a12 h LEU 104 Ca 0.15 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3a12 h LEU 104 Cb 0.63 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3a12 h LEU 104 CO 0.04 0.22 0.44 -0.07 -0.34 0.00 0.00 178.44 178.73 3a12 h LEU 105 N 0.01 0.48 -1.95 2.25 4.07 -0.66 -0.68 115.31 118.85 3a12 h LEU 105 Ca 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 3a12 h LEU 105 Cb 0.13 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 3a12 h LEU 105 CO -0.00 0.29 -0.09 0.00 -1.08 0.00 0.00 178.44 177.56 3a12 h ALA 106 N 1.66 1.67 0.00 1.53 0.00 -1.13 0.18 119.26 123.17 3a12 h ALA 106 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3a12 h ALA 106 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a12 h ALA 106 CO -0.10 0.11 -0.13 0.77 0.00 0.00 0.00 179.25 179.90 3a12 h SER 107 N 0.00 0.00 0.19 0.00 0.02 -1.09 -3.33 113.55 109.34 3a12 h SER 107 Ca -0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3a12 h SER 107 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3a12 h SER 107 CO 0.01 0.64 -0.25 2.30 -1.14 0.00 0.00 176.83 178.39 3a12 n ILE 108 N -4.72 0.00 -2.83 3.27 -6.64 -0.84 -3.99 119.36 103.61 3a12 n ILE 108 Ca -0.04 -0.15 -0.00 0.00 -1.77 0.00 0.00 62.75 60.79 3a12 n ILE 108 Cb 0.13 0.48 0.05 0.00 -1.44 0.00 0.00 39.64 38.86 3a12 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a12 n ALA 109 N -0.51 2.63 -2.79 -1.28 0.00 0.61 -5.01 120.51 114.16 3a12 n ALA 109 Ca 0.12 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.81 3a12 n ALA 109 Cb 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.58 1.52 0.36 0.00 0.00 -1.20 -4.78 105.19 100.51 3a12 n GLY 110 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.18 1.61 2.35 -1.86 -3.06 115.58 114.44 3a12 h ASN 111 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3a12 h ASN 111 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3a12 h ASN 111 CO 0.00 0.00 0.20 0.16 -1.65 0.00 0.00 177.43 176.14 3a12 h ILE 112 N 0.00 0.47 0.00 2.81 3.07 -1.88 -0.09 117.51 121.90 3a12 h ILE 112 Ca 0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.58 3a12 h ILE 112 Cb 0.80 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 3a12 h ILE 112 CO -0.00 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.84 3a12 h PHE 113 N 0.00 0.00 -0.30 0.16 0.04 -1.90 -3.14 116.94 111.80 3a12 h PHE 113 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3a12 h PHE 113 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 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 -0.08 1.51 3.76 -1.45 0.00 -0.05 -4.86 105.19 104.03 3a12 n GLY 114 Ca 0.01 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.32 4.46 0.28 1.61 -1.94 -1.19 -4.95 119.30 116.26 3a12 s MET 115 Ca 0.31 2.04 -0.00 0.00 -1.71 0.00 0.00 55.69 56.32 3a12 s MET 115 Cb 0.18 -3.14 0.40 0.00 2.01 0.00 0.00 34.83 34.28 3a12 s MET 115 CO 0.26 -0.06 1.79 0.87 -0.01 0.00 0.00 175.02 177.86 3a12 h LYS 116 N 3.97 0.73 0.00 2.03 1.57 -1.94 -3.08 116.57 119.84 3a12 h LYS 116 Ca -0.47 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 3a12 h LYS 116 Cb 1.22 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3a12 h LYS 116 CO 0.68 0.74 0.00 2.89 -0.57 0.00 0.00 179.45 183.19 3a12 n ARG 117 N -4.23 0.98 -4.55 3.15 1.85 -1.26 -4.48 116.66 108.12 3a12 n ARG 117 Ca 0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.54 3a12 n ARG 117 Cb 0.28 -1.31 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 3a12 n ARG 117 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a12 s VAL 118 N -2.00 3.73 0.08 8.89 -7.23 -1.17 0.04 120.40 122.74 3a12 s VAL 118 Ca 0.29 -0.44 0.08 0.00 -1.81 0.00 0.00 61.98 60.09 3a12 s VAL 118 Cb 0.13 -2.57 -0.22 0.00 0.56 0.00 0.00 36.38 34.28 3a12 s VAL 118 CO 0.22 0.56 1.13 0.50 -0.31 0.00 0.00 175.10 177.20 3a12 h LYS 119 N 5.88 0.01 -2.98 4.82 3.64 0.59 -3.42 116.57 125.12 3a12 h LYS 119 Ca -0.40 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.82 3a12 h LYS 119 Cb 1.18 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.79 3a12 h LYS 119 CO 0.56 0.90 -0.29 0.20 -2.27 0.00 0.00 179.45 178.55 3a12 s GLY 120 N -4.80 -0.20 -0.13 5.01 0.00 -0.98 -5.00 107.32 101.22 3a12 s GLY 120 Ca -0.01 0.59 -0.04 0.00 0.00 0.00 0.00 44.72 45.27 3a12 s GLY 120 CO 0.82 0.41 0.17 -2.27 0.00 0.00 0.00 173.10 172.24 3a12 s LEU 121 N -0.71 -0.03 -0.12 0.66 2.96 -1.10 -1.23 118.68 119.12 3a12 s LEU 121 Ca -0.08 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3a12 s LEU 121 Cb -0.04 0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.90 3a12 s LEU 121 CO 0.03 -0.28 -0.20 -0.60 -1.32 0.00 0.00 176.35 173.97 3a12 s ARG 122 N 2.28 2.76 -0.40 1.98 3.52 -0.49 -1.18 118.95 127.42 3a12 s ARG 122 Ca 0.04 -0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 54.61 3a12 s ARG 122 Cb -0.14 -2.23 0.02 0.00 -1.56 0.00 0.00 34.95 31.05 3a12 s ARG 122 CO -0.08 0.01 0.96 -1.17 -0.81 0.00 0.00 175.30 174.21 3a12 s LEU 123 N 0.77 3.95 -0.05 -0.88 2.96 -0.58 0.15 118.68 125.00 3a12 s LEU 123 Ca -0.09 0.49 0.16 0.00 -0.22 0.00 0.00 54.13 54.46 3a12 s LEU 123 Cb -0.16 -3.29 -0.21 0.00 0.50 0.00 0.00 46.19 43.02 3a12 s LEU 123 CO 0.00 -0.95 0.54 -0.62 -1.32 0.00 0.00 176.35 174.01 3a12 n GLU 124 N 6.99 0.65 -3.54 1.98 -0.58 0.95 -1.00 120.64 126.08 3a12 n GLU 124 Ca 0.08 0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 3a12 n GLU 124 Cb 0.48 -1.71 -0.05 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 -5.75 -0.48 -0.13 1.62 -1.08 -1.17 -4.43 116.67 105.25 3a12 s ASP 125 Ca -0.06 0.42 -0.00 0.00 -0.52 0.00 0.00 52.55 52.39 3a12 s ASP 125 Cb 0.08 0.41 0.03 0.00 -1.46 0.00 0.00 42.92 41.98 3a12 s ASP 125 CO 0.83 -0.51 -0.10 -0.76 0.52 0.00 0.00 175.17 175.14 3a12 s LEU 126 N -1.46 1.41 -0.17 -1.34 1.43 -1.26 -1.12 118.68 116.16 3a12 s LEU 126 Ca -0.04 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 3a12 s LEU 126 Cb -0.00 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 3a12 s LEU 126 CO 0.02 -0.10 0.53 -0.47 0.23 0.00 0.00 176.35 176.56 3a12 s TYR 127 N 1.62 3.42 -0.19 0.29 5.04 0.69 -4.97 117.35 123.25 3a12 s TYR 127 Ca 0.05 0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 3a12 s TYR 127 Cb -0.13 -2.66 -0.03 0.00 0.35 0.00 0.00 41.96 39.49 3a12 s TYR 127 CO -0.09 -0.02 0.01 -0.06 -1.34 0.00 0.00 175.55 174.04 3a12 s PHE 128 N 1.33 3.06 0.86 4.97 0.08 -1.26 -2.65 117.98 124.37 3a12 s PHE 128 Ca 0.26 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.83 3a12 s PHE 128 Cb -0.15 -2.07 0.11 0.00 -0.57 0.00 0.00 43.02 40.33 3a12 s PHE 128 CO 0.10 -0.17 1.10 -1.25 -0.10 0.00 0.00 175.22 174.90 3a12 s PRO 129 N 0.87 1.53 0.35 0.24 0.04 -1.26 -4.69 135.00 132.08 3a12 s PRO 129 Ca 0.01 1.16 0.11 0.00 0.04 0.00 0.00 61.00 62.31 3a12 s PRO 129 Cb -0.14 -1.82 0.88 0.00 0.04 0.00 0.00 34.50 33.46 3a12 s PRO 129 CO 0.02 -2.15 1.80 1.49 0.04 0.00 0.00 177.00 178.20 3a12 h GLU 130 N -1.50 0.60 -0.63 4.56 4.81 -1.82 0.31 114.58 120.91 3a12 h GLU 130 Ca -0.46 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 58.85 3a12 h GLU 130 Cb 1.26 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3a12 h GLU 130 CO 0.50 0.40 0.18 -0.22 -0.73 0.00 0.00 179.01 179.13 3a12 h LYS 131 N 0.62 0.31 -0.05 1.92 1.63 -1.91 -1.03 116.57 118.06 3a12 h LYS 131 Ca 0.55 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 60.16 3a12 h LYS 131 Cb 1.04 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.61 3a12 h LYS 131 CO -0.31 0.20 -0.64 -0.07 -3.45 0.00 0.00 179.45 175.19 3a12 h LEU 132 N 0.32 0.64 -1.00 5.20 4.07 -1.31 -3.05 115.31 120.19 3a12 h LEU 132 Ca 0.33 -0.71 0.23 0.00 0.08 0.00 0.00 57.88 57.82 3a12 h LEU 132 Cb 0.49 -0.19 -0.12 0.00 1.08 0.00 0.00 40.66 41.92 3a12 h LEU 132 CO -0.39 1.26 0.59 0.40 -1.08 0.00 0.00 178.44 179.21 3a12 h ILE 133 N 0.08 0.58 0.00 1.22 1.08 -1.00 -0.12 117.51 119.35 3a12 h ILE 133 Ca -0.07 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3a12 h ILE 133 Cb 1.31 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3a12 h ILE 133 CO 0.13 0.11 0.00 0.54 -0.69 0.00 0.00 178.15 178.24 3a12 n ARG 134 N -4.87 0.18 0.00 2.37 1.74 -0.42 -1.99 116.66 113.67 3a12 n ARG 134 Ca 0.26 0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.48 3a12 n ARG 134 Cb 0.70 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.41 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 -1.41 0.60 -4.27 5.56 1.02 -0.06 -4.85 120.64 117.23 3a12 n GLU 135 Ca 0.10 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 57.00 3a12 n GLU 135 Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 3a12 n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3a12 s PHE 136 N -2.35 2.72 -0.13 -0.32 0.08 -0.84 -4.90 117.98 112.24 3a12 s PHE 136 Ca 0.33 -0.20 0.17 0.00 0.12 0.00 0.00 56.93 57.36 3a12 s PHE 136 Cb 0.19 -1.29 -0.23 0.00 -0.57 0.00 0.00 43.02 41.13 3a12 s PHE 136 CO 0.39 0.55 0.43 -0.25 -0.10 0.00 0.00 175.22 176.24 3a12 n ASP 137 N -0.30 0.41 -0.69 1.36 8.00 -1.25 -5.01 116.55 119.08 3a12 n ASP 137 Ca -0.09 0.19 0.06 0.00 0.71 0.00 0.00 54.79 55.66 3a12 n ASP 137 Cb 0.56 0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 42.30 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 1.57 -1.79 3.77 0.44 0.00 -0.08 -4.74 105.19 104.37 3a12 n GLY 138 Ca -0.21 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.91 3.89 0.18 1.61 0.02 -1.24 -4.22 135.00 134.33 3a12 s PRO 139 Ca 0.00 2.36 0.15 0.00 0.02 0.00 0.00 61.00 63.53 3a12 s PRO 139 Cb 0.00 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 3a12 s PRO 139 CO 0.00 -0.63 1.20 0.00 -0.33 0.00 0.00 177.00 177.23 3a12 h ALA 140 N 2.62 0.63 0.00 -1.55 0.00 -1.89 -3.40 119.26 115.68 3a12 h ALA 140 Ca -0.50 -0.66 -0.22 0.00 0.00 0.00 0.00 54.91 53.52 3a12 h ALA 140 Cb 1.25 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3a12 h ALA 140 CO 0.62 0.82 -1.72 1.19 0.00 0.00 0.00 179.25 180.17 3a12 n PHE 141 N -3.12 0.00 -3.91 0.00 3.72 -1.26 -4.94 117.46 107.95 3a12 n PHE 141 Ca -0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.42 3a12 n PHE 141 Cb 0.80 -0.49 -0.01 0.00 -0.94 0.00 0.00 39.48 38.84 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 2.14 -1.29 0.27 1.37 0.00 -1.26 -0.42 105.19 106.01 3a12 n GLY 142 Ca -0.26 -1.08 0.02 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.33 0.83 -0.36 -0.61 2.04 -1.18 -1.81 117.51 116.09 3a12 h ILE 143 Ca 0.01 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3a12 h ILE 143 Cb 0.33 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3a12 h ILE 143 CO 0.00 0.11 0.03 -0.33 0.00 0.00 0.00 178.15 177.96 3a12 h GLU 144 N 0.60 0.61 -0.61 2.37 5.08 -1.84 -0.41 114.58 120.37 3a12 h GLU 144 Ca 0.36 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3a12 h GLU 144 Cb 0.40 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3a12 h GLU 144 CO -0.28 0.70 0.23 0.78 -1.00 0.00 0.00 179.01 179.43 3a12 h GLY 145 N 0.44 0.98 0.90 -3.84 0.00 -0.50 -1.60 103.07 99.45 3a12 h GLY 145 Ca 0.11 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 3a12 h GLY 145 CO 0.01 0.52 -0.34 -2.08 0.00 0.00 0.00 176.54 174.64 3a12 h VAL 146 N 0.85 1.33 -0.91 4.60 2.07 -1.18 -1.06 116.25 121.96 3a12 h VAL 146 Ca 0.20 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 66.22 3a12 h VAL 146 Cb 0.23 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3a12 h VAL 146 CO -0.01 0.48 0.59 0.03 0.02 0.00 0.00 177.57 178.68 3a12 h ARG 147 N 0.25 1.00 -0.28 1.57 3.08 -1.06 -0.72 114.38 118.21 3a12 h ARG 147 Ca 0.01 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3a12 h ARG 147 Cb 0.93 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3a12 h ARG 147 CO 0.08 0.66 -0.21 0.87 -1.07 0.00 0.00 179.97 180.30 3a12 h LYS 148 N 1.03 0.64 -0.29 0.04 1.79 -1.16 0.35 116.57 118.97 3a12 h LYS 148 Ca 0.39 -0.31 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 3a12 h LYS 148 Cb 0.20 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3a12 h LYS 148 CO -0.15 0.91 -0.26 0.00 -1.08 0.00 0.00 179.45 178.88 3a12 h MET 149 N 0.38 0.56 -0.00 3.15 -0.00 -0.84 -2.73 114.93 115.45 3a12 h MET 149 Ca 0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 59.70 59.53 3a12 h MET 149 Cb 0.76 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 3a12 h MET 149 CO 0.06 0.77 -0.47 1.28 -0.00 0.00 0.00 176.91 178.55 3a12 n LEU 150 N -4.11 0.51 -3.78 -0.10 4.77 -0.31 -4.92 117.00 109.05 3a12 n LEU 150 Ca -0.00 0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 3a12 n LEU 150 Cb 0.42 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3a12 n LEU 150 CO 0.43 0.12 0.08 -0.62 -1.33 0.00 0.00 177.39 176.07 3a12 n GLU 151 N -1.46 -5.80 -3.97 3.23 1.02 0.11 -4.41 120.64 109.36 3a12 n GLU 151 Ca 0.06 0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 57.52 3a12 n GLU 151 Cb 0.34 -5.48 -0.14 0.00 -0.02 0.00 0.00 31.44 26.13 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 -3.41 2.53 0.04 -3.67 1.01 -0.58 -5.01 121.20 112.12 3a12 s ILE 152 Ca 0.43 -2.03 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 3a12 s ILE 152 Cb -0.21 -2.71 -0.16 0.00 0.01 0.00 0.00 42.46 39.38 3a12 s ILE 152 CO 0.80 -0.44 1.26 0.11 0.00 0.00 0.00 174.94 176.68 3a12 h LYS 153 N 7.77 0.49 0.00 2.79 6.56 -1.93 -3.44 116.57 128.82 3a12 h LYS 153 Ca -0.11 -0.36 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3a12 h LYS 153 Cb 1.03 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 3a12 h LYS 153 CO 0.54 0.98 -0.52 -0.25 -2.06 0.00 0.00 179.45 178.13 3a12 n ASP 154 N -4.32 1.36 -4.79 0.86 8.00 -1.26 -5.09 116.55 111.32 3a12 n ASP 154 Ca -0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.12 3a12 n ASP 154 Cb 0.53 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.69 2.56 0.58 -1.24 1.70 -1.26 -4.68 118.95 114.93 3a12 s ARG 155 Ca 0.00 1.07 -0.20 0.00 -0.47 0.00 0.00 55.73 56.13 3a12 s ARG 155 Cb 0.00 -1.94 -0.04 0.00 -0.57 0.00 0.00 34.95 32.40 3a12 s ARG 155 CO 0.00 -1.40 1.17 -2.30 -1.08 0.00 0.00 175.30 171.70 3a12 n PRO 156 N -3.35 1.24 -2.76 3.89 -0.02 -1.19 -4.93 135.00 127.89 3a12 n PRO 156 Ca 0.08 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 3a12 n PRO 156 Cb 0.53 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3a12 n PRO 156 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a12 s ILE 157 N -1.39 4.23 -0.03 4.25 1.09 -1.04 -4.92 121.20 123.39 3a12 s ILE 157 Ca 0.75 1.54 0.02 0.00 -1.10 0.00 0.00 60.65 61.86 3a12 s ILE 157 Cb -0.42 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.28 3a12 s ILE 157 CO 0.47 -0.15 -0.07 -0.47 -0.10 0.00 0.00 174.94 174.62 3a12 s TYR 158 N -1.95 0.79 0.37 3.97 5.04 -1.26 -0.36 117.35 123.94 3a12 s TYR 158 Ca 0.59 -0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.92 3a12 s TYR 158 Cb -0.14 -0.60 0.03 0.00 0.35 0.00 0.00 41.96 41.61 3a12 s TYR 158 CO 0.18 -0.11 0.67 0.20 -1.34 0.00 0.00 175.55 175.15 3a12 s GLY 159 N 0.36 0.80 -0.04 8.97 0.00 -0.86 0.78 107.32 117.33 3a12 s GLY 159 Ca -0.05 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3a12 s GLY 159 CO 0.00 -0.58 -0.04 0.14 0.00 0.00 0.00 173.10 172.63 3a12 s VAL 160 N -2.62 0.49 -0.21 1.40 1.01 -0.72 -1.92 120.40 117.83 3a12 s VAL 160 Ca 0.21 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 3a12 s VAL 160 Cb -0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3a12 s VAL 160 CO 0.15 0.22 0.58 -0.69 0.00 0.00 0.00 175.10 175.36 3a12 s VAL 161 N 0.93 5.05 0.42 2.92 1.01 -1.26 -4.49 120.40 124.98 3a12 s VAL 161 Ca -0.11 1.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 3a12 s VAL 161 Cb -0.14 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3a12 s VAL 161 CO -0.00 0.12 1.46 -2.84 0.00 0.00 0.00 175.10 173.83 3a12 s PRO 162 N 1.95 3.85 -0.03 2.72 0.02 -1.26 -4.42 135.00 137.84 3a12 s PRO 162 Ca 0.26 2.49 0.04 0.00 0.02 0.00 0.00 61.00 63.81 3a12 s PRO 162 Cb -0.16 -2.78 -0.00 0.00 0.02 0.00 0.00 34.50 31.58 3a12 s PRO 162 CO 0.10 -0.71 -0.13 0.15 -0.33 0.00 0.00 177.00 176.08 3a12 s LYS 163 N -2.31 1.27 0.71 5.54 -0.14 -1.26 -4.03 119.74 119.51 3a12 s LYS 163 Ca 0.58 -0.45 -0.16 0.00 -1.36 0.00 0.00 55.97 54.57 3a12 s LYS 163 Cb -0.45 -1.16 0.03 0.00 -1.68 0.00 0.00 37.83 34.56 3a12 s LYS 163 CO 0.59 0.20 1.24 -1.25 -0.76 0.00 0.00 175.35 175.38 3a12 s PRO 164 N 0.01 2.22 0.18 -1.68 0.04 -1.26 -5.05 135.00 129.46 3a12 s PRO 164 Ca -0.01 1.87 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 3a12 s PRO 164 Cb -0.09 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.78 3a12 s PRO 164 CO 0.01 -1.80 1.70 0.87 0.04 0.00 0.00 177.00 177.81 3a12 h LYS 165 N -0.07 0.14 -4.61 4.56 1.57 -1.97 -3.44 116.57 112.76 3a12 h LYS 165 Ca -0.49 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.04 3a12 h LYS 165 Cb 1.31 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 3a12 h LYS 165 CO 0.50 0.09 -0.63 0.14 -0.57 0.00 0.00 179.45 178.99 3a12 s VAL 166 N -6.16 0.16 0.00 0.50 -7.23 -1.26 -4.65 120.40 101.76 3a12 s VAL 166 Ca -0.13 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3a12 s VAL 166 Cb 0.15 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3a12 s VAL 166 CO 0.72 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 3a12 n GLY 167 N -0.25 0.74 3.66 2.32 0.00 -1.26 -5.11 105.19 105.29 3a12 n GLY 167 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 0.54 1.61 -0.85 -1.26 -5.10 117.35 113.15 3a12 s TYR 168 Ca 0.00 -0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 3a12 s TYR 168 Cb 0.00 -1.41 0.01 0.00 0.38 0.00 0.00 41.96 40.94 3a12 s TYR 168 CO 0.00 0.50 0.80 -1.54 -1.52 0.00 0.00 175.55 173.79 3a12 s SER 169 N -2.75 5.54 0.31 -0.18 1.04 -1.26 -4.57 113.70 111.84 3a12 s SER 169 Ca 0.26 0.38 0.05 0.00 0.48 0.00 0.00 55.95 57.13 3a12 s SER 169 Cb -0.10 -1.41 0.53 0.00 0.10 0.00 0.00 66.02 65.13 3a12 s SER 169 CO 0.18 -1.00 1.78 -0.65 0.98 0.00 0.00 173.24 174.54 3a12 h PRO 170 N 0.05 0.40 -0.62 4.02 0.11 -1.96 -0.93 132.00 133.07 3a12 h PRO 170 Ca -0.45 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.45 3a12 h PRO 170 Cb 1.27 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3a12 h PRO 170 CO 0.58 0.59 0.06 0.93 -0.21 0.00 0.00 178.00 179.95 3a12 h GLU 171 N 0.36 1.04 -0.38 1.05 3.07 -1.94 0.12 114.58 117.90 3a12 h GLU 171 Ca 0.06 -0.30 -0.11 0.00 -0.50 0.00 0.00 59.36 58.51 3a12 h GLU 171 Cb 0.58 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3a12 h GLU 171 CO 0.04 0.99 -0.22 0.93 -1.40 0.00 0.00 179.01 179.35 3a12 h GLU 172 N 0.95 0.74 -0.73 2.33 5.08 -1.90 -3.09 114.58 117.95 3a12 h GLU 172 Ca 0.18 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3a12 h GLU 172 Cb 0.48 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3a12 h GLU 172 CO 0.02 0.90 0.25 0.35 -1.00 0.00 0.00 179.01 179.53 3a12 h PHE 173 N 0.65 1.15 -0.33 4.33 3.57 -0.75 -3.04 116.94 122.53 3a12 h PHE 173 Ca 0.09 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3a12 h PHE 173 Cb 0.72 -0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3a12 h PHE 173 CO 0.04 0.90 -0.14 1.49 -2.23 0.00 0.00 178.31 178.37 3a12 h GLU 174 N 1.07 -0.07 0.06 1.11 4.81 -0.68 0.18 114.58 121.05 3a12 h GLU 174 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3a12 h GLU 174 Cb 0.27 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3a12 h GLU 174 CO -0.01 -0.05 -0.03 0.87 -0.73 0.00 0.00 179.01 179.06 3a12 h LYS 175 N -0.08 -0.07 -0.22 1.92 1.57 -1.60 -1.73 116.57 116.36 3a12 h LYS 175 Ca 0.17 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3a12 h LYS 175 Cb 0.33 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3a12 h LYS 175 CO -0.38 0.03 -0.08 1.25 -0.57 0.00 0.00 179.45 179.70 3a12 h LEU 176 N -0.16 -0.28 -0.26 2.94 5.85 -1.37 -1.65 115.31 120.38 3a12 h LEU 176 Ca -0.01 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3a12 h LEU 176 Cb 0.13 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3a12 h LEU 176 CO 0.01 -0.10 0.04 0.00 -0.34 0.00 0.00 178.44 178.05 3a12 h ALA 177 N 1.17 0.26 -0.18 1.25 0.00 -0.55 -0.08 119.26 121.14 3a12 h ALA 177 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3a12 h ALA 177 Cb 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3a12 h ALA 177 CO -0.25 -0.38 0.06 -0.92 0.00 0.00 0.00 179.25 177.76 3a12 h TYR 178 N 0.13 0.11 -0.35 0.00 3.20 -1.04 -1.84 116.97 117.18 3a12 h TYR 178 Ca 0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3a12 h TYR 178 Cb 0.14 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3a12 h TYR 178 CO -0.17 0.06 0.23 -0.44 -1.64 0.00 0.00 178.16 176.20 3a12 h ASP 179 N 0.15 0.40 0.14 -2.11 3.32 -1.01 -0.63 116.42 116.68 3a12 h ASP 179 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3a12 h ASP 179 Cb 0.04 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3a12 h ASP 179 CO -0.07 0.30 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.61 3a12 h LEU 180 N 0.47 -0.16 -0.86 1.55 3.38 -0.88 -2.24 115.31 116.57 3a12 h LEU 180 Ca 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3a12 h LEU 180 Cb -0.05 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3a12 h LEU 180 CO -0.03 0.14 0.46 -0.07 0.09 0.00 0.00 178.44 179.03 3a12 h LEU 181 N -0.47 1.10 -2.00 1.67 3.38 -1.37 -1.39 115.31 116.23 3a12 h LEU 181 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3a12 h LEU 181 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3a12 h LEU 181 CO 0.03 0.89 -0.04 0.28 0.09 0.00 0.00 178.44 179.70 3a12 h SER 182 N 1.21 0.00 -0.58 -0.43 0.02 -1.05 -3.09 113.55 109.64 3a12 h SER 182 Ca 0.30 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.02 3a12 h SER 182 Cb 0.06 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.46 3a12 h SER 182 CO -0.05 0.04 0.18 0.59 -1.14 0.00 0.00 176.83 176.46 3a12 n ASN 183 N -4.37 3.63 0.00 3.07 3.02 -0.57 -4.92 115.26 115.11 3a12 n ASN 183 Ca -0.03 -3.46 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 3a12 n ASN 183 Cb 0.12 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 -0.77 2.28 3.75 7.41 0.00 -1.15 -2.79 105.19 113.92 3a12 n GLY 184 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.07 3.59 0.07 4.61 0.00 -0.93 -4.92 121.76 122.11 3a12 s ALA 185 Ca 0.00 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.30 3a12 s ALA 185 Cb 0.00 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 19.34 3a12 s ALA 185 CO 0.00 -0.72 1.10 -0.44 0.00 0.00 0.00 175.76 175.70 3a12 h ASP 186 N 4.64 0.15 -5.06 0.00 3.32 0.04 -3.40 116.42 116.12 3a12 h ASP 186 Ca -0.47 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.29 3a12 h ASP 186 Cb 1.22 -0.05 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 3a12 h ASP 186 CO 0.75 1.15 -0.37 -0.72 -1.72 0.00 0.00 179.24 178.33 3a12 s TYR 187 N -2.67 0.01 0.00 4.55 -0.85 -1.17 -1.97 117.35 115.25 3a12 s TYR 187 Ca -0.02 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 3a12 s TYR 187 Cb 0.09 -0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.42 3a12 s TYR 187 CO 0.84 -0.43 0.00 -1.33 -1.52 0.00 0.00 175.55 173.11 3a12 n MET 188 N 0.76 1.33 -4.91 -3.49 2.81 -0.99 -1.76 117.12 110.86 3a12 n MET 188 Ca -0.19 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.37 3a12 n MET 188 Cb 0.59 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.96 3a12 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a12 s ASP 190 N -1.00 3.99 0.74 7.83 1.01 -0.81 -0.85 116.67 127.58 3a12 s ASP 190 Ca 0.00 -0.21 -0.15 0.00 0.71 0.00 0.00 52.55 52.90 3a12 s ASP 190 Cb 0.00 -0.84 0.05 0.00 1.01 0.00 0.00 42.92 43.14 3a12 s ASP 190 CO 0.00 0.34 1.24 -0.62 0.21 0.00 0.00 175.17 176.35 3a12 s ASP 191 N -0.71 3.98 0.61 0.27 -1.08 -1.26 -4.87 116.67 113.61 3a12 s ASP 191 Ca 0.11 2.48 0.39 0.00 -0.52 0.00 0.00 52.55 55.01 3a12 s ASP 191 Cb -0.11 -2.60 1.86 0.00 -1.46 0.00 0.00 42.92 40.61 3a12 s ASP 191 CO 0.00 -2.41 2.16 1.05 0.52 0.00 0.00 175.17 176.50 3a12 h GLU 192 N -0.32 0.00 -0.49 4.34 9.09 -2.00 -1.44 114.58 123.75 3a12 h GLU 192 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3a12 h GLU 192 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 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 -3.09 3.40 -4.56 3.06 6.94 -1.26 -4.84 115.26 114.91 3a12 n ASN 193 Ca -0.01 -1.96 -0.41 0.00 -0.02 0.00 0.00 54.58 52.17 3a12 n ASN 193 Cb 0.20 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.22 3a12 n ASN 193 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3a12 s LEU 194 N -1.09 4.32 0.00 -4.53 2.96 -0.54 -4.96 118.68 114.83 3a12 s LEU 194 Ca 0.36 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 3a12 s LEU 194 Cb 0.20 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3a12 s LEU 194 CO 0.26 -0.47 0.00 0.35 -1.32 0.00 0.00 176.35 175.17 3a12 n THR 195 N 5.41 0.00 -2.98 3.68 -2.24 -1.26 -4.74 114.28 112.15 3a12 n THR 195 Ca -0.05 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 3a12 n THR 195 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.27 -4.51 3.42 2.88 -1.26 -4.08 113.62 111.34 3a12 n SER 196 Ca 0.00 -2.95 -0.29 0.00 -1.33 0.00 0.00 58.87 54.30 3a12 n SER 196 Cb 0.00 -0.58 0.16 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.73 0.66 0.22 -1.46 0.04 -1.25 -4.73 135.00 125.74 3a12 s PRO 197 Ca 0.36 0.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 3a12 s PRO 197 Cb 0.39 -1.80 0.23 0.00 0.04 0.00 0.00 34.50 33.36 3a12 s PRO 197 CO -0.04 -2.49 1.84 0.11 0.04 0.00 0.00 177.00 176.46 3a12 h TRP 198 N -1.70 0.82 0.00 0.56 5.08 -2.01 -2.14 115.95 116.55 3a12 h TRP 198 Ca -0.48 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3a12 h TRP 198 Cb 1.31 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 3a12 h TRP 198 CO -0.37 0.44 0.00 2.48 -1.28 0.00 0.00 178.44 179.71 3a12 n TYR 199 N -4.69 0.00 -2.74 0.12 0.18 -1.26 -4.32 117.16 104.45 3a12 n TYR 199 Ca 0.09 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.83 3a12 n TYR 199 Cb 0.13 -0.39 0.02 0.00 -0.38 0.00 0.00 39.34 38.72 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 -1.39 -3.04 -4.77 9.48 2.85 -0.81 -4.14 115.26 113.44 3a12 n ASN 200 Ca 0.07 -2.56 -0.39 0.00 -0.11 0.00 0.00 54.58 51.59 3a12 n ASN 200 Cb 0.19 1.56 -0.02 0.00 1.24 0.00 0.00 39.78 42.75 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 0.87 4.27 0.15 1.20 1.81 -1.17 -3.85 118.95 122.23 3a12 s ARG 201 Ca 0.29 1.94 -0.18 0.00 -1.72 0.00 0.00 55.73 56.06 3a12 s ARG 201 Cb 0.04 -2.90 0.05 0.00 -0.45 0.00 0.00 34.95 31.69 3a12 s ARG 201 CO -0.07 -0.17 1.67 0.35 -0.68 0.00 0.00 175.30 176.41 3a12 h PHE 202 N 3.10 -0.22 -0.34 -0.53 3.57 -1.85 -2.00 116.94 118.67 3a12 h PHE 202 Ca -0.48 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 3a12 h PHE 202 Cb 1.23 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 3a12 h PHE 202 CO 0.56 -0.16 -0.03 0.93 -2.23 0.00 0.00 178.31 177.38 3a12 h GLU 203 N -0.03 0.54 -0.03 1.11 4.39 -1.94 -0.27 114.58 118.35 3a12 h GLU 203 Ca 0.16 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3a12 h GLU 203 Cb 0.27 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3a12 h GLU 203 CO -0.35 0.59 -0.01 0.93 -1.16 0.00 0.00 179.01 179.01 3a12 h GLU 204 N 0.51 0.06 -0.71 2.33 5.08 -1.86 -1.98 114.58 118.01 3a12 h GLU 204 Ca 0.11 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.58 3a12 h GLU 204 Cb 0.37 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 3a12 h GLU 204 CO 0.01 0.41 0.22 -0.09 -1.00 0.00 0.00 179.01 178.56 3a12 h ARG 205 N -0.28 0.34 -0.27 2.33 2.43 -1.15 -2.19 114.38 115.59 3a12 h ARG 205 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3a12 h ARG 205 Cb 0.38 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3a12 h ARG 205 CO 0.00 0.22 0.07 0.00 -1.51 0.00 0.00 179.97 178.76 3a12 h ALA 206 N 1.54 0.35 -0.78 2.80 0.00 -0.86 -0.30 119.26 122.01 3a12 h ALA 206 Ca 0.39 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3a12 h ALA 206 Cb 0.60 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3a12 h ALA 206 CO -0.43 0.00 0.49 0.93 0.00 0.00 0.00 179.25 180.25 3a12 h GLU 207 N 0.26 0.92 -0.24 0.00 4.39 -1.13 -0.45 114.58 118.33 3a12 h GLU 207 Ca 0.08 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3a12 h GLU 207 Cb 0.28 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3a12 h GLU 207 CO 0.00 0.61 0.06 0.82 -1.16 0.00 0.00 179.01 179.34 3a12 h ILE 208 N 0.94 1.20 -0.73 3.13 2.04 -1.15 -2.56 117.51 120.38 3a12 h ILE 208 Ca 0.32 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3a12 h ILE 208 Cb 0.06 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3a12 h ILE 208 CO -0.13 0.21 0.20 0.24 0.00 0.00 0.00 178.15 178.68 3a12 h MET 209 N 0.21 1.15 -0.49 2.37 2.86 -0.64 0.11 114.93 120.51 3a12 h MET 209 Ca 0.08 -0.26 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 3a12 h MET 209 Cb 0.26 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3a12 h MET 209 CO -0.00 0.99 -0.10 0.00 1.06 0.00 0.00 176.91 178.86 3a12 h ALA 210 N 1.12 0.90 -0.13 6.32 0.00 -1.06 0.13 119.26 126.54 3a12 h ALA 210 Ca 0.23 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3a12 h ALA 210 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a12 h ALA 210 CO -0.00 0.63 -0.45 -0.22 0.00 0.00 0.00 179.25 179.21 3a12 h LYS 211 N 0.80 0.54 -0.74 0.00 3.64 -1.25 -2.78 116.57 116.78 3a12 h LYS 211 Ca 0.13 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 3a12 h LYS 211 Cb 0.62 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3a12 h LYS 211 CO 0.04 1.02 0.23 0.82 -2.27 0.00 0.00 179.45 179.29 3a12 h ILE 212 N 0.16 1.26 -0.45 2.00 2.04 -0.66 -1.81 117.51 120.05 3a12 h ILE 212 Ca -0.02 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3a12 h ILE 212 Cb 1.07 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3a12 h ILE 212 CO 0.09 0.36 0.18 0.40 0.00 0.00 0.00 178.15 179.18 3a12 h ILE 213 N 1.10 1.21 0.40 -0.67 2.04 -0.79 -0.59 117.51 120.21 3a12 h ILE 213 Ca 0.24 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3a12 h ILE 213 Cb 0.31 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3a12 h ILE 213 CO -0.01 0.24 -0.25 0.44 0.00 0.00 0.00 178.15 178.57 3a12 h ASP 214 N 0.59 -0.63 -0.38 1.72 3.32 -1.37 0.14 116.42 119.80 3a12 h ASP 214 Ca 0.15 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.32 3a12 h ASP 214 Cb 0.20 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 3a12 h ASP 214 CO -0.01 -0.40 -0.15 0.50 -1.72 0.00 0.00 179.24 177.46 3a12 h LYS 215 N -0.63 -0.07 -0.46 3.56 3.64 -1.24 -1.40 116.57 119.97 3a12 h LYS 215 Ca -0.04 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 3a12 h LYS 215 Cb 0.52 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3a12 h LYS 215 CO 0.04 -0.04 -0.13 0.28 -2.27 0.00 0.00 179.45 177.33 3a12 h VAL 216 N -0.07 1.27 -0.75 2.00 2.07 -0.98 -1.54 116.25 118.26 3a12 h VAL 216 Ca 0.19 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3a12 h VAL 216 Cb 0.36 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3a12 h VAL 216 CO -0.43 0.43 0.49 -0.33 0.02 0.00 0.00 177.57 177.75 3a12 h GLU 217 N 0.74 0.92 0.00 1.57 5.08 -0.34 -0.89 114.58 121.66 3a12 h GLU 217 Ca 0.11 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 3a12 h GLU 217 Cb 0.68 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3a12 h GLU 217 CO 0.05 0.61 -0.95 -0.97 -1.00 0.00 0.00 179.01 176.74 3a12 h ASN 218 N 0.95 0.00 0.28 1.42 -0.73 -1.07 0.14 115.58 116.57 3a12 h ASN 218 Ca 0.29 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 58.19 3a12 h ASN 218 Cb -0.00 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.60 3a12 h ASN 218 CO -0.08 0.95 -1.13 -0.33 -0.37 0.00 0.00 177.43 176.47 3a12 h GLU 219 N 0.00 0.49 0.00 6.67 5.08 -0.94 -3.37 114.58 122.51 3a12 h GLU 219 Ca -0.01 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 3a12 h GLU 219 Cb 1.72 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.17 3a12 h GLU 219 CO 0.12 1.26 -1.58 0.25 -1.00 0.00 0.00 179.01 178.06 3a12 n THR 220 N -3.73 0.00 -1.02 1.13 -2.24 -0.37 -4.98 114.28 103.07 3a12 n THR 220 Ca -0.10 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.34 3a12 n THR 220 Cb 0.94 0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.54 0.26 3.65 3.38 0.00 0.51 -5.00 105.19 109.52 3a12 n GLY 221 Ca -0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3a12 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a12 s GLU 222 N -1.23 3.66 0.25 1.61 2.02 -1.24 -5.02 118.70 118.74 3a12 s GLU 222 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 3a12 s GLU 222 Cb 0.00 -3.07 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 3a12 s GLU 222 CO 0.00 0.41 1.36 0.15 0.02 0.00 0.00 175.26 177.21 3a12 s LYS 223 N -0.05 4.33 0.21 1.61 -0.14 -1.26 -4.27 119.74 120.17 3a12 s LYS 223 Ca 0.05 2.20 0.06 0.00 -1.36 0.00 0.00 55.97 56.91 3a12 s LYS 223 Cb -0.12 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.85 3a12 s LYS 223 CO 0.01 -0.31 -0.08 0.15 -0.76 0.00 0.00 175.35 174.37 3a12 s LYS 224 N -0.61 1.30 0.27 1.68 -0.14 -1.26 -4.92 119.74 116.06 3a12 s LYS 224 Ca 0.56 -1.61 -0.02 0.00 -1.36 0.00 0.00 55.97 53.54 3a12 s LYS 224 Cb -0.39 -0.86 0.01 0.00 -1.68 0.00 0.00 37.83 34.91 3a12 s LYS 224 CO 0.44 0.05 0.40 -2.37 -0.76 0.00 0.00 175.35 173.11 3a12 n THR 225 N -0.38 0.00 -3.66 2.17 5.66 -0.83 -5.03 114.28 112.21 3a12 n THR 225 Ca -0.07 -1.33 -0.11 0.00 -3.05 0.00 0.00 64.05 59.49 3a12 n THR 225 Cb 0.62 0.84 -0.11 0.00 -1.55 0.00 0.00 70.33 70.13 3a12 n THR 225 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3a12 s TRP 226 N -3.43 -0.61 -0.86 1.09 -0.00 -1.26 -2.35 118.94 111.52 3a12 s TRP 226 Ca 0.22 1.25 -0.23 0.00 -0.00 0.00 0.00 56.10 57.34 3a12 s TRP 226 Cb -0.01 0.14 0.06 0.00 -0.00 0.00 0.00 33.47 33.66 3a12 s TRP 226 CO 0.16 -0.42 1.25 -0.06 -0.00 0.00 0.00 176.95 177.88 3a12 s PHE 227 N 2.50 2.60 -0.24 5.86 0.08 -0.03 -4.20 117.98 124.55 3a12 s PHE 227 Ca -0.00 -0.68 -0.24 0.00 0.12 0.00 0.00 56.93 56.12 3a12 s PHE 227 Cb -0.12 -4.52 -0.01 0.00 -0.57 0.00 0.00 43.02 37.80 3a12 s PHE 227 CO -0.11 -1.84 0.81 0.00 -0.10 0.00 0.00 175.22 173.99 3a12 s ALA 228 N 4.57 3.64 -0.54 5.36 0.00 -1.25 -1.92 121.76 131.62 3a12 s ALA 228 Ca 0.36 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 3a12 s ALA 228 Cb -0.06 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3a12 s ALA 228 CO 0.01 -0.90 1.10 1.21 0.00 0.00 0.00 175.76 177.17 3a12 s ASN 229 N 1.34 6.47 0.00 0.00 2.47 -1.26 0.13 114.94 124.10 3a12 s ASN 229 Ca 0.34 0.10 0.23 0.00 0.42 0.00 0.00 52.86 53.95 3a12 s ASN 229 Cb -0.15 -2.52 0.57 0.00 -1.45 0.00 0.00 41.25 37.69 3a12 s ASN 229 CO 0.08 -1.33 1.47 2.30 -3.72 0.00 0.00 177.10 175.89 3a12 n ILE 230 N 6.59 0.27 -1.68 -5.21 -5.35 -0.52 -4.77 119.36 108.69 3a12 n ILE 230 Ca 0.08 -0.52 -0.53 0.00 -0.27 0.00 0.00 62.75 61.51 3a12 n ILE 230 Cb 0.49 0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 39.12 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 0.92 0.28 -3.96 7.28 -1.04 -1.26 -4.32 114.28 112.19 3a12 n THR 231 Ca 0.17 -0.05 0.02 0.00 -2.04 0.00 0.00 64.05 62.15 3a12 n THR 231 Cb 0.48 -1.31 0.01 0.00 -1.82 0.00 0.00 70.33 67.69 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 4.92 -2.75 -1.22 2.41 0.00 -1.26 -4.89 120.51 117.71 3a12 n ALA 232 Ca 0.23 -0.64 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 3a12 n ALA 232 Cb 0.19 0.15 0.12 0.00 0.00 0.00 0.00 19.45 19.91 3a12 n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a12 n ASP 233 N -0.90 1.24 -0.25 0.00 8.00 -1.26 -4.68 116.55 118.69 3a12 n ASP 233 Ca 0.03 0.63 -0.11 0.00 0.71 0.00 0.00 54.79 56.06 3a12 n ASP 233 Cb 0.45 -1.52 -0.07 0.00 -0.02 0.00 0.00 41.12 39.96 3a12 n ASP 233 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a12 h LEU 234 N -0.63 -1.81 -1.16 0.64 7.12 -1.99 -1.36 115.31 116.11 3a12 h LEU 234 Ca -0.47 0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 3a12 h LEU 234 Cb 1.31 0.79 -0.04 0.00 -0.53 0.00 0.00 40.66 42.19 3a12 h LEU 234 CO 0.47 -0.33 0.43 -0.07 -0.13 0.00 0.00 178.44 178.81 3a12 h LEU 235 N -0.21 0.89 -0.94 2.25 3.38 -2.00 -1.27 115.31 117.41 3a12 h LEU 235 Ca 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3a12 h LEU 235 Cb 0.54 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3a12 h LEU 235 CO -0.74 0.70 -0.07 -0.33 0.09 0.00 0.00 178.44 178.08 3a12 h GLU 236 N 1.02 0.70 -0.61 1.13 3.07 -1.73 -1.77 114.58 116.38 3a12 h GLU 236 Ca 0.26 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3a12 h GLU 236 Cb -0.02 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 3a12 h GLU 236 CO -0.05 0.76 0.23 0.52 -1.40 0.00 0.00 179.01 179.07 3a12 h MET 237 N 0.64 0.93 -0.40 2.33 2.86 -0.23 -1.27 114.93 119.79 3a12 h MET 237 Ca 0.12 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3a12 h MET 237 Cb 0.50 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3a12 h MET 237 CO 0.03 0.80 0.23 0.93 1.06 0.00 0.00 176.91 179.96 3a12 h GLU 238 N 0.86 0.55 -0.81 1.72 5.08 -1.09 -0.38 114.58 120.51 3a12 h GLU 238 Ca 0.20 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3a12 h GLU 238 Cb 0.23 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3a12 h GLU 238 CO -0.01 0.42 0.52 1.96 -1.00 0.00 0.00 179.01 180.90 3a12 h GLN 239 N 0.52 0.99 -0.22 2.33 4.20 -1.15 -1.15 115.11 120.64 3a12 h GLN 239 Ca 0.14 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3a12 h GLN 239 Cb 0.02 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3a12 h GLN 239 CO -0.03 0.66 -0.47 0.00 -0.67 0.00 0.00 178.83 178.32 3a12 h ARG 240 N 1.02 0.57 -0.71 1.46 3.08 -0.95 -1.32 114.38 117.53 3a12 h ARG 240 Ca 0.32 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3a12 h ARG 240 Cb -0.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3a12 h ARG 240 CO -0.10 0.92 0.37 -0.07 -1.07 0.00 0.00 179.97 180.02 3a12 h LEU 241 N 0.46 0.90 -0.73 3.04 3.38 -0.75 -1.84 115.31 119.77 3a12 h LEU 241 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3a12 h LEU 241 Cb 1.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3a12 h LEU 241 CO 0.09 0.75 0.30 -0.08 0.09 0.00 0.00 178.44 179.59 3a12 h GLU 242 N 0.98 1.09 -0.72 1.13 4.81 -0.92 -1.42 114.58 119.53 3a12 h GLU 242 Ca 0.25 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3a12 h GLU 242 Cb 0.07 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 3a12 h GLU 242 CO -0.04 0.89 0.44 0.28 -0.73 0.00 0.00 179.01 179.85 3a12 h VAL 243 N 1.05 1.05 -0.16 0.32 2.07 -0.97 -0.25 116.25 119.35 3a12 h VAL 243 Ca 0.24 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3a12 h VAL 243 Cb 0.20 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3a12 h VAL 243 CO -0.02 0.15 0.08 -0.07 0.02 0.00 0.00 177.57 177.73 3a12 h LEU 244 N 0.83 0.22 -0.72 2.57 3.38 -0.87 -2.79 115.31 117.92 3a12 h LEU 244 Ca 0.30 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3a12 h LEU 244 Cb 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3a12 h LEU 244 CO -0.14 0.29 0.25 0.00 0.09 0.00 0.00 178.44 178.93 3a12 h ALA 245 N 0.94 0.94 0.00 1.53 0.00 -0.93 -1.95 119.26 119.78 3a12 h ALA 245 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3a12 h ALA 245 Cb 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3a12 h ALA 245 CO -0.01 0.59 -0.08 -0.44 0.00 0.00 0.00 179.25 179.32 3a12 h ASP 246 N 1.04 0.00 -0.02 0.00 3.32 -0.99 -2.63 116.42 117.14 3a12 h ASP 246 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3a12 h ASP 246 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3a12 h ASP 246 CO -0.01 0.08 -0.06 0.18 -1.72 0.00 0.00 179.24 177.71 3a12 n LEU 247 N -3.45 2.57 -0.17 1.55 4.77 -0.87 -4.94 117.00 116.46 3a12 n LEU 247 Ca -0.02 -0.86 -0.02 0.00 -0.03 0.00 0.00 56.01 55.08 3a12 n LEU 247 Cb 0.22 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3a12 n LEU 247 CO 0.28 0.43 -0.02 0.61 -1.33 0.00 0.00 177.39 177.36 3a12 n GLY 248 N 1.32 0.56 3.62 -0.72 0.00 -0.99 -4.94 105.19 104.04 3a12 n GLY 248 Ca 0.14 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.51 0.89 0.00 0.99 1.43 -0.79 -5.02 118.68 115.68 3a12 s LEU 249 Ca 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3a12 s LEU 249 Cb 0.00 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.70 3a12 s LEU 249 CO 0.00 -3.93 0.00 0.29 0.23 0.00 0.00 176.35 172.94 3a12 n LYS 250 N -4.64 3.23 -4.26 1.70 5.02 -1.26 -4.78 118.16 113.16 3a12 n LYS 250 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 3a12 n LYS 250 Cb 0.59 -0.47 -0.13 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.68 1.01 -0.08 2.13 3.76 -1.26 -1.14 115.29 119.03 3a12 s HIS 251 Ca 0.00 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3a12 s HIS 251 Cb 0.00 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 33.11 3a12 s HIS 251 CO 0.00 0.00 -0.11 0.00 -0.85 0.00 0.00 174.74 173.78 3a12 s ALA 252 N -0.87 1.27 -0.11 -1.40 0.00 0.13 -3.88 121.76 116.90 3a12 s ALA 252 Ca -0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 3a12 s ALA 252 Cb -0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 3a12 s ALA 252 CO 0.01 -0.02 0.20 1.41 0.00 0.00 0.00 175.76 177.37 3a12 s MET 253 N 0.92 3.71 -0.02 0.00 1.75 0.34 -1.18 119.30 124.82 3a12 s MET 253 Ca -0.10 -0.02 0.04 0.00 -1.25 0.00 0.00 55.69 54.36 3a12 s MET 253 Cb -0.15 -3.25 -0.00 0.00 2.84 0.00 0.00 34.83 34.26 3a12 s MET 253 CO 0.01 0.64 -0.13 0.08 -0.65 0.00 0.00 175.02 174.97 3a12 s VAL 254 N -0.69 1.07 -0.87 10.11 1.01 0.20 -1.44 120.40 129.80 3a12 s VAL 254 Ca 0.16 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 3a12 s VAL 254 Cb -0.13 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.41 3a12 s VAL 254 CO 0.05 0.31 1.23 -1.81 0.00 0.00 0.00 175.10 174.88 3a12 s ASP 255 N -0.07 6.41 0.17 3.32 1.01 -1.26 -0.66 116.67 125.59 3a12 s ASP 255 Ca 0.00 -1.35 -0.08 0.00 0.71 0.00 0.00 52.55 51.84 3a12 s ASP 255 Cb -0.08 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.40 3a12 s ASP 255 CO 0.00 -1.43 1.52 -0.37 0.21 0.00 0.00 175.17 175.11 3a12 h VAL 256 N 6.22 1.28 -0.42 -1.27 -1.51 -1.56 0.73 116.25 119.71 3a12 h VAL 256 Ca 0.00 -1.54 -0.14 0.00 -1.23 0.00 0.00 66.70 63.79 3a12 h VAL 256 Cb 1.03 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3a12 h VAL 256 CO 1.26 0.51 -0.30 0.58 -1.23 0.00 0.00 177.57 178.39 3a12 h VAL 257 N 0.70 1.27 -0.27 7.19 2.07 -1.80 -1.05 116.25 124.35 3a12 h VAL 257 Ca 0.06 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 3a12 h VAL 257 Cb 0.93 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3a12 h VAL 257 CO 0.09 0.50 -0.27 0.40 0.02 0.00 0.00 177.57 178.30 3a12 h ILE 258 N 0.78 1.31 -0.41 4.57 2.04 -1.70 -3.10 117.51 120.99 3a12 h ILE 258 Ca 0.08 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.54 3a12 h ILE 258 Cb 0.88 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3a12 h ILE 258 CO 0.08 0.46 0.19 0.74 0.00 0.00 0.00 178.15 179.62 3a12 h THR 259 N 0.40 0.96 0.00 -0.27 2.02 -0.76 -3.48 112.91 111.77 3a12 h THR 259 Ca 0.04 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3a12 h THR 259 Cb 0.84 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3a12 h THR 259 CO 0.07 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.64 3a12 n GLY 260 N -1.22 0.68 0.23 2.16 0.00 -0.41 -4.68 105.19 101.95 3a12 n GLY 260 Ca 0.02 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 0.24 -0.08 1.61 4.06 -1.87 -3.15 115.95 116.76 3a12 h TRP 261 Ca 0.00 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 3a12 h TRP 261 Cb 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 3a12 h TRP 261 CO 0.00 0.42 -0.10 0.78 -3.56 0.00 0.00 178.44 175.97 3a12 h GLY 262 N 0.85 0.12 -0.32 1.49 0.00 -1.99 -3.16 103.07 100.06 3a12 h GLY 262 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3a12 h GLY 262 CO 0.03 0.06 -0.18 0.00 0.00 0.00 0.00 176.54 176.46 3a12 n ALA 263 N -2.50 2.73 -0.06 3.60 0.00 -1.22 -4.77 120.51 118.28 3a12 n ALA 263 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 3a12 n ALA 263 Cb 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 0.77 0.30 -0.45 0.00 5.85 -1.51 -0.74 115.31 119.54 3a12 h LEU 264 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3a12 h LEU 264 Cb 0.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3a12 h LEU 264 CO 0.00 0.42 0.30 -0.09 -0.34 0.00 0.00 178.44 178.73 3a12 h ARG 265 N 0.17 0.59 -0.08 1.25 2.43 -1.86 0.24 114.38 117.12 3a12 h ARG 265 Ca 0.07 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3a12 h ARG 265 Cb 0.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3a12 h ARG 265 CO -0.00 0.39 0.02 -0.92 -1.51 0.00 0.00 179.97 177.95 3a12 h TYR 266 N 0.61 0.04 -0.51 2.20 3.20 -1.82 0.25 116.97 120.93 3a12 h TYR 266 Ca 0.17 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3a12 h TYR 266 Cb -0.07 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 3a12 h TYR 266 CO -0.04 0.02 0.17 0.82 -1.64 0.00 0.00 178.16 177.48 3a12 h ILE 267 N 0.06 0.80 -0.35 1.81 1.08 -0.87 0.61 117.51 120.65 3a12 h ILE 267 Ca 0.03 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3a12 h ILE 267 Cb 0.02 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3a12 h ILE 267 CO -0.04 0.06 0.20 -0.09 -0.69 0.00 0.00 178.15 177.60 3a12 h ARG 268 N 0.34 0.41 -0.51 2.37 1.12 -0.16 -1.20 114.38 116.75 3a12 h ARG 268 Ca 0.25 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 59.02 3a12 h ARG 268 Cb 0.29 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 3a12 h ARG 268 CO -0.27 0.27 -0.00 -0.44 -3.11 0.00 0.00 179.97 176.42 3a12 h ASP 269 N 0.42 0.82 -0.14 -3.80 3.32 0.00 -0.52 116.42 116.53 3a12 h ASP 269 Ca 0.13 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3a12 h ASP 269 Cb -0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3a12 h ASP 269 CO -0.06 0.89 0.07 0.25 -1.72 0.00 0.00 179.24 178.66 3a12 h LEU 270 N 0.79 0.18 -0.44 1.55 5.85 -0.69 -1.53 115.31 121.03 3a12 h LEU 270 Ca 0.15 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3a12 h LEU 270 Cb 0.48 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3a12 h LEU 270 CO 0.02 0.25 0.28 0.00 -0.34 0.00 0.00 178.44 178.66 3a12 h ALA 271 N 0.94 0.56 -0.18 1.25 0.00 -0.96 -1.98 119.26 118.88 3a12 h ALA 271 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3a12 h ALA 271 Cb 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3a12 h ALA 271 CO -0.01 0.02 -0.24 0.00 0.00 0.00 0.00 179.25 179.03 3a12 h ALA 272 N 1.15 -0.17 -0.11 0.00 0.00 -0.94 -0.31 119.26 118.88 3a12 h ALA 272 Ca 0.16 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3a12 h ALA 272 Cb -0.05 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a12 h ALA 272 CO -0.03 -0.68 0.08 -0.44 0.00 0.00 0.00 179.25 178.18 3a12 h ASP 273 N -0.27 0.00 0.53 0.00 3.32 -1.04 0.27 116.42 119.22 3a12 h ASP 273 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3a12 h ASP 273 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3a12 h ASP 273 CO -0.34 0.00 -0.11 -1.22 -1.72 0.00 0.00 179.24 175.85 3a12 n TYR 274 N -4.48 0.00 -2.97 4.55 4.01 -0.49 -4.92 117.16 112.85 3a12 n TYR 274 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3a12 n TYR 274 Cb 0.20 -0.26 0.04 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.34 0.28 3.42 2.72 0.00 0.94 -4.90 105.19 108.99 3a12 n GLY 275 Ca 0.12 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.82 2.63 0.38 0.99 1.43 -0.25 -4.87 118.68 115.16 3a12 s LEU 276 Ca 0.25 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.90 3a12 s LEU 276 Cb -0.11 -1.54 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 3a12 s LEU 276 CO 0.33 0.28 0.83 0.00 0.23 0.00 0.00 176.35 178.02 3a12 s ALA 277 N -0.34 3.20 -0.18 4.21 0.00 -0.29 -4.19 121.76 124.18 3a12 s ALA 277 Ca 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3a12 s ALA 277 Cb -0.13 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3a12 s ALA 277 CO 0.02 0.22 -0.07 0.42 0.00 0.00 0.00 175.76 176.35 3a12 s ILE 278 N -2.10 3.42 -0.31 0.00 1.01 -1.26 -0.69 121.20 121.27 3a12 s ILE 278 Ca 0.57 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 3a12 s ILE 278 Cb -0.10 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3a12 s ILE 278 CO 0.17 0.47 0.26 -2.28 0.00 0.00 0.00 174.94 173.56 3a12 s HIS 279 N 0.86 3.22 -0.35 3.97 5.65 -0.33 -1.40 115.29 126.92 3a12 s HIS 279 Ca -0.02 0.04 -0.13 0.00 0.25 0.00 0.00 55.06 55.20 3a12 s HIS 279 Cb -0.15 -2.49 -0.01 0.00 -1.18 0.00 0.00 32.58 28.75 3a12 s HIS 279 CO 0.01 -0.28 0.25 0.20 -0.65 0.00 0.00 174.74 174.28 3a12 s GLY 280 N 1.73 1.97 -0.05 1.59 0.00 0.82 -0.63 107.32 112.76 3a12 s GLY 280 Ca 0.09 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.23 3a12 s GLY 280 CO 0.11 0.81 0.36 -1.58 0.00 0.00 0.00 173.10 172.79 3a12 s HIS 281 N 1.72 3.66 -0.47 1.90 2.46 0.16 -2.90 115.29 121.81 3a12 s HIS 281 Ca 0.06 0.86 0.16 0.00 0.47 0.00 0.00 55.06 56.61 3a12 s HIS 281 Cb -0.18 -2.26 0.73 0.00 -0.13 0.00 0.00 32.58 30.75 3a12 s HIS 281 CO 0.10 0.58 1.65 2.89 -2.47 0.00 0.00 174.74 177.49 3a12 n ARG 282 N 2.20 4.22 -1.50 2.88 1.85 -1.26 -1.34 116.66 123.70 3a12 n ARG 282 Ca -0.14 -3.02 -0.55 0.00 -1.00 0.00 0.00 57.85 53.14 3a12 n ARG 282 Cb 0.53 -2.08 -0.06 0.00 -1.05 0.00 0.00 32.46 29.80 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 0.55 -2.90 0.00 2.89 0.00 -1.26 -1.20 120.51 118.58 3a12 n ALA 283 Ca 0.26 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.24 3a12 n ALA 283 Cb 1.05 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.52 0.00 -0.36 0.00 0.00 -1.26 -4.20 117.12 112.82 3a12 n MET 284 Ca 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 57.70 57.95 3a12 n MET 284 Cb 0.15 -0.29 0.23 0.00 0.00 0.00 0.00 33.22 33.30 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 1.15 0.00 1.12 -0.00 -1.58 -1.37 115.15 114.48 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 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.04 3a12 h HIS 285 CO 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 177.93 178.43 3a12 n ALA 286 N -2.36 1.64 0.28 6.11 0.00 -1.26 -0.64 120.51 124.27 3a12 n ALA 286 Ca 0.18 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.72 3a12 n ALA 286 Cb 0.30 -1.19 0.80 0.00 0.00 0.00 0.00 19.45 19.36 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 2.49 1.18 0.00 0.00 0.00 -1.66 -3.29 119.26 117.99 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 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a12 h ALA 287 CO 0.00 0.10 -0.01 1.97 0.00 0.00 0.00 179.25 181.31 3a12 n PHE 288 N -3.44 0.00 1.05 0.00 1.16 -0.01 -4.84 117.46 111.37 3a12 n PHE 288 Ca -0.02 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.68 3a12 n PHE 288 Cb 0.22 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.16 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 -0.32 0.00 -0.02 1.97 -2.24 0.18 -1.60 114.28 112.25 3a12 n THR 289 Ca 0.00 -0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 3a12 n THR 289 Cb 0.00 0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.22 0.15 -6.34 -0.78 2.43 -1.79 -3.42 114.38 105.84 3a12 h ARG 290 Ca 0.00 -0.25 -0.57 0.00 -0.81 0.00 0.00 59.98 58.35 3a12 h ARG 290 Cb 0.61 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3a12 h ARG 290 CO 0.00 1.12 1.21 1.21 -1.51 0.00 0.00 179.97 181.99 3a12 s ASN 291 N -6.64 6.07 0.28 -3.80 3.84 -1.26 -4.88 114.94 108.55 3a12 s ASN 291 Ca -0.17 1.24 0.19 0.00 0.21 0.00 0.00 52.86 54.32 3a12 s ASN 291 Cb -0.00 -2.53 1.01 0.00 -0.55 0.00 0.00 41.25 39.18 3a12 s ASN 291 CO 0.75 -1.58 1.57 -0.81 -2.79 0.00 0.00 177.10 174.24 3a12 n PRO 292 N 8.24 0.12 -0.00 0.43 -0.04 -1.26 -1.88 135.00 140.60 3a12 n PRO 292 Ca 0.21 0.62 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 3a12 n PRO 292 Cb 0.47 -1.90 0.03 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.15 0.00 -3.64 0.54 4.01 -1.26 -4.90 117.16 109.76 3a12 n TYR 293 Ca -0.01 -0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 3a12 n TYR 293 Cb 0.03 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.61 -0.84 0.00 -0.72 2.46 -0.79 -2.70 115.29 112.10 3a12 s HIS 294 Ca 0.09 1.88 0.00 0.00 0.47 0.00 0.00 55.06 57.49 3a12 s HIS 294 Cb 0.06 0.41 0.00 0.00 -0.13 0.00 0.00 32.58 32.92 3a12 s HIS 294 CO 0.09 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 172.36 3a12 n GLY 295 N 3.25 0.25 2.88 1.59 0.00 -0.32 -4.30 105.19 108.54 3a12 n GLY 295 Ca -0.16 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 3a12 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 296 N 0.00 0.36 0.45 -0.61 1.01 -0.63 -1.53 121.20 120.26 3a12 s ILE 296 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 3a12 s ILE 296 Cb 0.00 -0.39 -0.09 0.00 0.01 0.00 0.00 42.46 42.00 3a12 s ILE 296 CO 0.00 0.16 1.05 -0.55 0.00 0.00 0.00 174.94 175.60 3a12 s SER 297 N 0.64 6.47 0.60 3.58 0.15 -0.17 -3.64 113.70 121.33 3a12 s SER 297 Ca -0.07 1.99 0.32 0.00 0.70 0.00 0.00 55.95 58.89 3a12 s SER 297 Cb -0.11 -2.57 1.90 0.00 -1.71 0.00 0.00 66.02 63.53 3a12 s SER 297 CO -0.01 -0.69 2.27 -0.03 1.20 0.00 0.00 173.24 175.98 3a12 h MET 298 N 1.92 0.00 -0.38 5.44 4.05 -1.91 -2.33 114.93 121.72 3a12 h MET 298 Ca -0.49 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.94 3a12 h MET 298 Cb 1.22 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 3a12 h MET 298 CO 0.60 0.01 0.24 0.35 0.23 0.00 0.00 176.91 178.34 3a12 h PHE 299 N 0.00 0.46 0.23 1.39 3.57 -1.90 0.34 116.94 121.03 3a12 h PHE 299 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3a12 h PHE 299 Cb 0.02 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3a12 h PHE 299 CO 0.00 0.28 -0.11 0.28 -2.23 0.00 0.00 178.31 176.53 3a12 h VAL 300 N 0.50 0.79 -0.44 1.41 2.07 -1.63 -2.26 116.25 116.68 3a12 h VAL 300 Ca 0.14 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3a12 h VAL 300 Cb -0.04 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3a12 h VAL 300 CO -0.04 0.03 -0.10 -0.07 0.02 0.00 0.00 177.57 177.41 3a12 h LEU 301 N -0.38 -0.38 -0.69 2.57 4.07 -1.35 0.07 115.31 119.22 3a12 h LEU 301 Ca -0.03 0.13 0.09 0.00 0.08 0.00 0.00 57.88 58.15 3a12 h LEU 301 Cb 0.29 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 42.22 3a12 h LEU 301 CO 0.05 -0.14 0.34 0.00 -1.08 0.00 0.00 178.44 177.61 3a12 h ALA 302 N 1.44 0.95 -0.08 1.53 0.00 -0.11 0.40 119.26 123.38 3a12 h ALA 302 Ca 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3a12 h ALA 302 Cb 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a12 h ALA 302 CO -0.45 -0.06 -0.02 -0.22 0.00 0.00 0.00 179.25 178.50 3a12 h LYS 303 N 0.58 0.16 -0.68 0.00 3.64 -0.75 -2.27 116.57 117.26 3a12 h LYS 303 Ca 0.34 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3a12 h LYS 303 Cb 0.36 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3a12 h LYS 303 CO -0.27 0.50 0.45 -0.07 -2.27 0.00 0.00 179.45 177.79 3a12 h LEU 304 N -0.18 0.78 -0.81 5.20 3.38 -0.57 -1.22 115.31 121.88 3a12 h LEU 304 Ca 0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3a12 h LEU 304 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3a12 h LEU 304 CO 0.01 0.57 -0.19 1.88 0.09 0.00 0.00 178.44 180.80 3a12 h TYR 305 N 0.92 0.76 -0.63 1.13 0.05 -0.91 -1.11 116.97 117.18 3a12 h TYR 305 Ca 0.25 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3a12 h TYR 305 Cb -0.10 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 3a12 h TYR 305 CO -0.03 0.82 0.22 -0.09 -1.05 0.00 0.00 178.16 178.03 3a12 h ARG 306 N 0.61 0.97 -0.61 4.88 2.43 -1.16 -0.82 114.38 120.68 3a12 h ARG 306 Ca 0.09 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3a12 h ARG 306 Cb 0.66 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3a12 h ARG 306 CO 0.05 0.85 0.31 -0.07 -1.51 0.00 0.00 179.97 179.60 3a12 h LEU 307 N 0.90 0.78 -0.73 3.80 3.38 -0.71 -2.42 115.31 120.32 3a12 h LEU 307 Ca 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3a12 h LEU 307 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3a12 h LEU 307 CO -0.01 0.67 0.06 0.40 0.09 0.00 0.00 178.44 179.65 3a12 h ILE 308 N 0.83 1.26 0.00 1.22 2.04 -1.11 -0.17 117.51 121.58 3a12 h ILE 308 Ca 0.21 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3a12 h ILE 308 Cb 0.08 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3a12 h ILE 308 CO -0.03 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.12 3a12 n GLY 309 N -0.56 1.54 3.70 5.37 0.00 -0.54 -4.05 105.19 110.64 3a12 n GLY 309 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3a12 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 310 N -1.54 3.10 0.06 -0.61 -1.09 -0.42 -4.22 121.20 116.47 3a12 s ILE 310 Ca 0.00 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.15 3a12 s ILE 310 Cb 0.00 -3.44 -0.24 0.00 -1.58 0.00 0.00 42.46 37.20 3a12 s ILE 310 CO 0.00 0.03 1.05 0.44 -1.23 0.00 0.00 174.94 175.23 3a12 h ASP 311 N 7.45 0.13 -3.83 3.58 3.32 -1.70 -3.43 116.42 121.94 3a12 h ASP 311 Ca -0.42 -0.17 -0.36 0.00 0.02 0.00 0.00 57.03 56.10 3a12 h ASP 311 Cb 1.20 -0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.41 3a12 h ASP 311 CO 0.90 1.14 -0.77 -1.10 -1.72 0.00 0.00 179.24 177.70 3a12 s GLN 312 N -2.66 0.60 -0.05 3.56 -0.21 -0.49 -0.63 119.66 119.78 3a12 s GLN 312 Ca -0.03 -0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 3a12 s GLN 312 Cb 0.09 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.53 3a12 s GLN 312 CO 0.84 0.09 0.13 -1.17 -2.12 0.00 0.00 175.29 173.05 3a12 s LEU 313 N 0.11 1.07 0.22 2.90 2.96 -0.37 -0.12 118.68 125.44 3a12 s LEU 313 Ca -0.01 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 3a12 s LEU 313 Cb -0.06 0.34 -0.10 0.00 0.50 0.00 0.00 46.19 46.88 3a12 s LEU 313 CO -0.00 -0.11 1.43 -1.00 -1.32 0.00 0.00 176.35 175.35 3a12 s HIS 314 N 0.74 3.09 0.00 5.38 3.76 -1.14 0.70 115.29 127.81 3a12 s HIS 314 Ca -0.06 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 3a12 s HIS 314 Cb -0.07 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.83 3a12 s HIS 314 CO -0.03 -2.59 0.03 1.33 -0.85 0.00 0.00 174.74 172.63 3a12 n VAL 315 N 2.69 0.00 0.00 -0.90 0.24 -0.59 -4.83 118.33 114.95 3a12 n VAL 315 Ca 0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3a12 n VAL 315 Cb 0.41 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.30 2.43 0.62 7.63 0.00 -1.25 -4.73 105.19 110.19 3a12 n GLY 316 Ca 0.00 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.03 0.69 -2.37 2.61 -2.24 -1.26 -4.22 114.28 106.47 3a12 n THR 317 Ca 0.00 -0.84 -0.21 0.00 -2.27 0.00 0.00 64.05 60.73 3a12 n THR 317 Cb 0.00 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.61 -0.61 0.00 6.98 0.00 -1.26 -2.60 120.51 123.63 3a12 n ALA 318 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3a12 n ALA 318 Cb 0.39 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 -0.99 2.83 0.23 0.00 0.00 -1.20 -4.12 105.19 101.94 3a12 n GLY 319 Ca -0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.97 -4.53 4.61 0.00 -1.84 -3.48 119.26 115.00 3a12 h ALA 320 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3a12 h ALA 320 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a12 h ALA 320 CO 0.00 0.13 -0.05 0.41 0.00 0.00 0.00 179.25 179.74 3a12 n GLY 321 N 0.52 2.67 0.05 0.00 0.00 -1.26 -4.51 105.19 102.67 3a12 n GLY 321 Ca 0.02 -2.19 0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.98 0.37 -4.50 1.61 2.85 -0.33 -4.69 118.16 112.50 3a12 n LYS 322 Ca 0.01 -0.11 -0.32 0.00 -1.05 0.00 0.00 58.31 56.83 3a12 n LYS 322 Cb 0.16 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.71 3.16 0.49 -5.58 1.43 -1.26 -4.84 118.68 109.38 3a12 s LEU 323 Ca 0.22 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 3a12 s LEU 323 Cb 0.19 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 3a12 s LEU 323 CO 0.53 0.30 1.37 1.21 0.23 0.00 0.00 176.35 179.99 3a12 n GLU 324 N 1.70 1.95 0.00 1.70 0.00 -1.26 -4.83 120.64 119.90 3a12 n GLU 324 Ca -0.16 0.70 0.00 0.00 0.00 0.00 0.00 57.16 57.70 3a12 n GLU 324 Cb 0.53 -2.57 0.00 0.00 0.00 0.00 0.00 31.44 29.40 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 0.70 1.21 3.66 8.31 0.00 -1.26 -4.94 105.19 112.87 3a12 n GLY 325 Ca 0.08 0.50 -0.39 0.00 0.00 0.00 0.00 46.02 46.21 3a12 n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a12 n GLY 326 N 0.00 0.11 0.11 -0.02 0.00 -1.26 -3.24 105.19 100.90 3a12 n GLY 326 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3a12 n GLY 326 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a12 h LYS 327 N 1.02 0.29 0.08 1.61 3.64 -1.97 -2.45 116.57 118.77 3a12 h LYS 327 Ca -0.49 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3a12 h LYS 327 Cb 1.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3a12 h LYS 327 CO 0.54 0.22 -0.04 2.35 -2.27 0.00 0.00 179.45 180.26 3a12 h TRP 328 N 0.27 -0.10 -0.66 1.91 7.01 -1.91 -2.45 115.95 120.02 3a12 h TRP 328 Ca 0.08 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.21 3a12 h TRP 328 Cb 0.01 0.03 -0.10 0.00 -2.10 0.00 0.00 29.16 27.00 3a12 h TRP 328 CO -0.05 0.08 0.11 -0.44 -2.79 0.00 0.00 178.44 175.35 3a12 h ASP 329 N -0.26 -0.07 -0.26 2.65 3.32 -1.94 -1.24 116.42 118.63 3a12 h ASP 329 Ca -0.01 0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3a12 h ASP 329 Cb 0.22 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3a12 h ASP 329 CO 0.02 -0.04 -0.23 0.58 -1.72 0.00 0.00 179.24 177.85 3a12 h VAL 330 N 0.23 1.27 -0.99 -1.35 2.07 -1.35 0.11 116.25 116.23 3a12 h VAL 330 Ca 0.36 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3a12 h VAL 330 Cb 0.58 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3a12 h VAL 330 CO -0.48 0.44 0.65 0.40 0.02 0.00 0.00 177.57 178.60 3a12 h ILE 331 N 0.65 1.14 -0.17 4.57 2.04 -0.91 -0.18 117.51 124.64 3a12 h ILE 331 Ca 0.09 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3a12 h ILE 331 Cb 0.73 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3a12 h ILE 331 CO 0.06 0.22 -0.02 1.56 0.00 0.00 0.00 178.15 179.97 3a12 h GLN 332 N 1.22 0.30 -0.41 2.37 1.08 -0.38 0.25 115.11 119.55 3a12 h GLN 332 Ca 0.41 -0.11 0.09 0.00 -1.45 0.00 0.00 58.65 57.59 3a12 h GLN 332 Cb 0.07 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.39 3a12 h GLN 332 CO -0.15 0.55 -0.19 -0.91 -0.95 0.00 0.00 178.83 177.19 3a12 h ASN 333 N 0.03 -0.64 -0.67 1.46 2.35 -0.54 0.57 115.58 118.14 3a12 h ASN 333 Ca 0.04 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3a12 h ASN 333 Cb 0.42 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 3a12 h ASN 333 CO 0.01 -0.22 0.44 0.00 -1.65 0.00 0.00 177.43 176.02 3a12 h ALA 334 N 1.19 0.85 -0.46 -0.83 0.00 -0.91 -2.78 119.26 116.32 3a12 h ALA 334 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a12 h ALA 334 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3a12 h ALA 334 CO -0.48 0.27 0.17 0.00 0.00 0.00 0.00 179.25 179.21 3a12 h ARG 335 N 0.91 0.69 0.00 0.00 3.08 0.28 -2.50 114.38 116.84 3a12 h ARG 335 Ca 0.25 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3a12 h ARG 335 Cb -0.10 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3a12 h ARG 335 CO -0.06 0.65 -0.08 0.97 -1.07 0.00 0.00 179.97 180.38 3a12 h ILE 336 N 0.60 0.29 0.00 2.04 6.09 -0.81 -0.91 117.51 124.81 3a12 h ILE 336 Ca 0.15 -0.54 -0.18 0.00 -1.37 0.00 0.00 64.86 62.92 3a12 h ILE 336 Cb 0.23 1.41 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 3a12 h ILE 336 CO -0.01 0.08 -0.88 -0.07 -3.07 0.00 0.00 178.15 174.20 3a12 h LEU 337 N 0.00 0.00 0.00 2.19 3.38 -1.18 -3.40 115.31 116.30 3a12 h LEU 337 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 3a12 h LEU 337 Cb 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3a12 h LEU 337 CO 0.01 0.88 -2.11 0.54 0.09 0.00 0.00 178.44 177.85 3a12 n ARG 338 N -3.34 1.27 -2.90 1.13 1.74 -0.86 -0.33 116.66 113.37 3a12 n ARG 338 Ca 0.00 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 3a12 n ARG 338 Cb 0.88 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.85 3a12 n ARG 338 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a12 s GLU 339 N -2.39 4.66 0.19 5.56 2.02 -0.40 -4.59 118.70 123.75 3a12 s GLU 339 Ca -0.10 1.27 0.04 0.00 0.02 0.00 0.00 54.97 56.19 3a12 s GLU 339 Cb 0.05 -3.28 0.09 0.00 0.10 0.00 0.00 34.13 31.09 3a12 s GLU 339 CO 0.63 0.51 1.45 1.03 0.02 0.00 0.00 175.26 178.91 3a12 h SER 340 N 4.45 0.21 -2.82 -0.19 0.87 -1.91 -3.41 113.55 110.75 3a12 h SER 340 Ca -0.46 -0.15 -0.53 0.00 -1.23 0.00 0.00 61.79 59.42 3a12 h SER 340 Cb 1.20 -0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 62.70 3a12 h SER 340 CO 0.67 0.91 -0.78 -2.28 -0.53 0.00 0.00 176.83 174.82 3a12 s HIS 341 N -3.37 0.38 -0.29 2.24 5.65 -1.26 -0.94 115.29 117.70 3a12 s HIS 341 Ca -0.03 -0.90 -0.22 0.00 0.25 0.00 0.00 55.06 54.16 3a12 s HIS 341 Cb 0.11 -0.93 -0.01 0.00 -1.18 0.00 0.00 32.58 30.57 3a12 s HIS 341 CO 0.81 -0.82 0.73 -0.47 -0.65 0.00 0.00 174.74 174.34 3a12 s TYR 342 N 2.08 3.23 -0.20 3.88 5.04 0.01 -4.94 117.35 126.45 3a12 s TYR 342 Ca 0.09 0.79 -0.02 0.00 -2.44 0.00 0.00 57.07 55.48 3a12 s TYR 342 Cb -0.16 -3.08 -0.00 0.00 0.35 0.00 0.00 41.96 39.07 3a12 s TYR 342 CO -0.35 -0.49 -0.10 0.15 -1.34 0.00 0.00 175.55 173.42 3a12 s LYS 343 N 2.78 3.26 0.60 4.97 1.02 -1.26 -1.02 119.74 130.09 3a12 s LYS 343 Ca 0.30 -0.69 -0.16 0.00 0.02 0.00 0.00 55.97 55.43 3a12 s LYS 343 Cb -0.15 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3a12 s LYS 343 CO 0.11 -0.15 1.08 -1.25 -0.92 0.00 0.00 175.35 174.23 3a12 s PRO 344 N 1.28 3.20 0.77 -1.68 0.04 -1.26 -5.01 135.00 132.33 3a12 s PRO 344 Ca 0.03 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 3a12 s PRO 344 Cb -0.14 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.45 3a12 s PRO 344 CO -0.05 -0.93 1.09 0.16 0.04 0.00 0.00 177.00 177.31 3a12 s ASP 345 N -2.50 4.54 0.48 6.66 -4.77 -1.26 -4.91 116.67 114.91 3a12 s ASP 345 Ca 0.66 1.79 0.19 0.00 -3.30 0.00 0.00 52.55 51.89 3a12 s ASP 345 Cb -0.19 -2.50 1.21 0.00 -1.09 0.00 0.00 42.92 40.35 3a12 s ASP 345 CO 0.35 -2.00 2.00 1.05 0.70 0.00 0.00 175.17 177.27 3a12 h GLU 346 N -1.11 0.19 -0.01 2.11 9.09 -2.02 -0.59 114.58 122.25 3a12 h GLU 346 Ca -0.44 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3a12 h GLU 346 Cb 1.23 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3a12 h GLU 346 CO 0.52 0.13 -0.20 0.27 0.05 0.00 0.00 179.01 179.77 3a12 n ASN 347 N -4.44 1.22 -4.55 3.06 2.04 -1.26 -4.81 115.26 106.51 3a12 n ASN 347 Ca 0.09 -1.08 -0.38 0.00 -0.44 0.00 0.00 54.58 52.77 3a12 n ASN 347 Cb 0.45 0.12 -0.03 0.00 -2.53 0.00 0.00 39.78 37.79 3a12 n ASN 347 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3a12 s ASP 348 N -2.38 5.24 0.00 0.53 -1.08 -0.23 -4.83 116.67 113.92 3a12 s ASP 348 Ca 0.27 0.40 0.13 0.00 -0.52 0.00 0.00 52.55 52.83 3a12 s ASP 348 Cb 0.20 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.61 3a12 s ASP 348 CO 0.48 -2.39 1.36 1.33 0.52 0.00 0.00 175.17 176.46 3a12 n VAL 349 N 7.26 0.26 -0.10 1.11 0.24 -1.26 -4.28 118.33 121.56 3a12 n VAL 349 Ca 0.21 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.34 62.06 3a12 n VAL 349 Cb 0.52 0.17 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.14 0.00 -4.18 6.34 3.72 -1.26 -4.93 117.46 117.28 3a12 n PHE 350 Ca 0.11 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.23 3a12 n PHE 350 Cb 0.23 -0.75 -0.08 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.39 2.87 0.26 1.38 3.76 -1.26 -4.47 115.29 115.44 3a12 s HIS 351 Ca -0.27 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 3a12 s HIS 351 Cb 0.08 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 3a12 s HIS 351 CO 0.42 0.48 0.10 -0.51 -0.85 0.00 0.00 174.74 174.38 3a12 s LEU 352 N -2.49 3.51 0.48 0.89 1.43 -1.26 -4.77 118.68 116.47 3a12 s LEU 352 Ca 0.25 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 3a12 s LEU 352 Cb -0.11 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3a12 s LEU 352 CO 0.17 -0.02 1.42 -0.70 0.23 0.00 0.00 176.35 177.45 3a12 s GLU 353 N -3.76 3.51 -0.23 1.70 2.12 -1.26 -4.64 118.70 116.14 3a12 s GLU 353 Ca 0.32 2.40 -0.05 0.00 0.36 0.00 0.00 54.97 58.00 3a12 s GLU 353 Cb -0.07 -2.54 0.12 0.00 0.26 0.00 0.00 34.13 31.90 3a12 s GLU 353 CO 0.23 -0.95 0.43 -1.14 -0.54 0.00 0.00 175.26 173.29 3a12 s GLN 354 N -2.59 0.37 0.15 4.30 2.00 -0.19 -4.98 119.66 118.72 3a12 s GLN 354 Ca 0.64 0.87 -0.18 0.00 -2.00 0.00 0.00 55.36 54.69 3a12 s GLN 354 Cb -0.43 0.08 -0.07 0.00 0.80 0.00 0.00 33.01 33.38 3a12 s GLN 354 CO 0.55 -0.43 0.63 0.15 -0.50 0.00 0.00 175.29 175.69 3a12 s LYS 355 N 2.63 4.18 0.00 1.67 1.02 -1.26 -0.81 119.74 127.17 3a12 s LYS 355 Ca 0.06 0.74 0.06 0.00 0.02 0.00 0.00 55.97 56.84 3a12 s LYS 355 Cb -0.14 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3a12 s LYS 355 CO -0.15 0.50 0.43 1.19 -0.92 0.00 0.00 175.35 176.40 3a12 n PHE 356 N 1.08 0.00 0.00 3.18 3.72 -0.11 -4.93 117.46 120.39 3a12 n PHE 356 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3a12 n PHE 356 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.48 0.00 0.08 1.38 4.01 -1.25 -0.29 117.16 120.60 3a12 n TYR 357 Ca 0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 3a12 n TYR 357 Cb 0.11 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.42 3a12 n TYR 357 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a12 n SER 358 N 6.89 3.44 -4.63 7.72 3.41 -1.26 -4.87 113.62 124.31 3a12 n SER 358 Ca 0.00 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 3a12 n SER 358 Cb 0.00 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 3a12 n SER 358 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a12 s ILE 359 N -1.26 3.09 0.89 -1.33 -1.09 0.60 -4.95 121.20 117.14 3a12 s ILE 359 Ca 0.42 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.84 3a12 s ILE 359 Cb 0.23 -3.08 0.13 0.00 -1.58 0.00 0.00 42.46 38.15 3a12 s ILE 359 CO 0.31 -0.03 1.11 -0.54 -1.23 0.00 0.00 174.94 174.56 3a12 s LYS 360 N 5.24 1.26 0.27 2.79 1.02 -1.26 -4.91 119.74 124.13 3a12 s LYS 360 Ca 0.91 1.28 -0.30 0.00 0.02 0.00 0.00 55.97 57.89 3a12 s LYS 360 Cb -0.37 -1.77 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 3a12 s LYS 360 CO 0.38 -2.38 1.06 0.00 -0.92 0.00 0.00 175.35 173.48 3a12 s ALA 361 N -2.75 3.39 0.02 5.17 0.00 -1.26 -4.53 121.76 121.80 3a12 s ALA 361 Ca 0.65 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 3a12 s ALA 361 Cb -0.21 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3a12 s ALA 361 CO 0.58 -0.06 0.18 0.00 0.00 0.00 0.00 175.76 176.45 3a12 s ALA 362 N -1.14 3.92 -0.50 0.00 0.00 0.55 -0.74 121.76 123.84 3a12 s ALA 362 Ca 0.44 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 3a12 s ALA 362 Cb -0.30 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.04 3a12 s ALA 362 CO 0.39 0.77 1.04 0.12 0.00 0.00 0.00 175.76 178.07 3a12 s PHE 363 N -1.38 2.81 0.42 0.00 2.19 0.20 -4.22 117.98 118.00 3a12 s PHE 363 Ca 0.30 0.42 -0.26 0.00 0.33 0.00 0.00 56.93 57.71 3a12 s PHE 363 Cb -0.13 -4.22 -0.09 0.00 -1.31 0.00 0.00 43.02 37.27 3a12 s PHE 363 CO 0.22 -1.28 1.43 -2.14 1.83 0.00 0.00 175.22 175.27 3a12 s PRO 364 N 4.21 3.84 -0.10 10.12 0.02 -1.26 -1.24 135.00 150.59 3a12 s PRO 364 Ca 0.40 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.88 3a12 s PRO 364 Cb -0.09 -2.76 -0.01 0.00 0.02 0.00 0.00 34.50 31.66 3a12 s PRO 364 CO 0.27 -0.70 -0.20 0.99 -0.33 0.00 0.00 177.00 177.03 3a12 s THR 365 N -1.18 2.42 -0.13 0.99 2.01 0.22 -0.19 115.64 119.77 3a12 s THR 365 Ca 0.58 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.69 3a12 s THR 365 Cb -0.44 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 3a12 s THR 365 CO 0.57 0.55 -0.15 -0.55 -0.69 0.00 0.00 174.62 174.36 3a12 s SER 366 N 0.23 3.87 -0.21 3.53 0.15 0.12 -1.54 113.70 119.85 3a12 s SER 366 Ca -0.13 -0.36 -0.27 0.00 0.70 0.00 0.00 55.95 55.88 3a12 s SER 366 Cb -0.16 -1.58 0.10 0.00 -1.71 0.00 0.00 66.02 62.67 3a12 s SER 366 CO 0.07 0.16 0.87 -0.55 1.20 0.00 0.00 173.24 175.00 3a12 s SER 367 N 0.35 -0.55 0.00 5.45 0.15 -1.26 -1.42 113.70 116.41 3a12 s SER 367 Ca -0.12 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.43 3a12 s SER 367 Cb -0.16 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 3a12 s SER 367 CO 0.06 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3a12 n GLY 368 N 1.79 2.24 2.18 9.45 0.00 -1.26 -4.60 105.19 114.98 3a12 n GLY 368 Ca -0.14 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 0.19 0.31 3.87 -0.02 0.00 -1.26 -1.18 105.19 107.10 3a12 n GLY 369 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.18 4.38 0.28 0.99 1.43 -1.26 -4.52 118.68 117.80 3a12 s LEU 370 Ca 0.00 0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3a12 s LEU 370 Cb 0.00 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 3a12 s LEU 370 CO 0.00 0.26 0.31 -1.38 0.23 0.00 0.00 176.35 175.78 3a12 s HIS 371 N -1.26 1.18 0.36 0.29 -3.43 -1.26 -3.77 115.29 107.40 3a12 s HIS 371 Ca 0.27 -1.34 0.12 0.00 -0.80 0.00 0.00 55.06 53.31 3a12 s HIS 371 Cb -0.14 -0.37 0.92 0.00 -1.43 0.00 0.00 32.58 31.57 3a12 s HIS 371 CO 0.15 -0.88 1.80 -1.35 -2.00 0.00 0.00 174.74 172.45 3a12 h PRO 372 N 2.30 0.56 -0.02 -0.38 0.11 -1.93 -1.11 132.00 131.53 3a12 h PRO 372 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a12 h PRO 372 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a12 h PRO 372 CO 0.42 0.37 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 3a12 n GLY 373 N -1.41 -0.87 0.45 -0.55 0.00 -1.26 -3.72 105.19 97.83 3a12 n GLY 373 Ca 0.23 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.68 0.21 0.09 1.61 6.94 -0.43 -4.29 115.26 118.72 3a12 n ASN 374 Ca 0.14 -2.07 0.12 0.00 -0.02 0.00 0.00 54.58 52.75 3a12 n ASN 374 Cb 0.09 -0.21 0.04 0.00 -2.36 0.00 0.00 39.78 37.34 3a12 n ASN 374 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3a12 h ILE 375 N 6.26 0.00 -0.34 1.53 3.07 -1.61 -3.38 117.51 123.04 3a12 h ILE 375 Ca 0.00 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.54 3a12 h ILE 375 Cb 1.35 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 39.27 3a12 h ILE 375 CO 0.00 0.00 0.21 -0.61 -1.05 0.00 0.00 178.15 176.70 3a12 h GLN 376 N 0.00 0.45 -0.12 0.16 -0.00 -1.87 -0.15 115.11 113.59 3a12 h GLN 376 Ca 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 3a12 h GLN 376 Cb 0.93 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.31 3a12 h GLN 376 CO 0.00 0.33 -0.06 -1.00 0.00 0.00 0.00 178.83 178.10 3a12 h PRO 377 N 0.45 0.17 0.18 -2.39 0.13 -1.94 -1.01 132.00 127.58 3a12 h PRO 377 Ca 0.12 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 64.92 3a12 h PRO 377 Cb -0.02 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.10 3a12 h PRO 377 CO -0.02 0.25 -1.33 -0.24 -0.23 0.00 0.00 178.00 176.42 3a12 h VAL 378 N 0.17 1.38 -0.17 1.56 3.04 -1.68 -2.52 116.25 118.02 3a12 h VAL 378 Ca 0.04 -2.82 -0.07 0.00 -1.01 0.00 0.00 66.70 62.84 3a12 h VAL 378 Cb 0.22 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 32.43 3a12 h VAL 378 CO 0.01 0.84 -0.21 0.40 -1.01 0.00 0.00 177.57 177.59 3a12 h ILE 379 N 0.13 1.23 0.00 3.17 2.04 -0.74 0.85 117.51 124.19 3a12 h ILE 379 Ca -0.19 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 3a12 h ILE 379 Cb 2.04 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.43 3a12 h ILE 379 CO 0.24 0.33 -0.66 1.05 0.00 0.00 0.00 178.15 179.11 3a12 h GLU 380 N 0.28 0.00 0.02 2.37 4.11 -1.26 0.33 114.58 120.43 3a12 h GLU 380 Ca 0.05 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.26 3a12 h GLU 380 Cb 0.54 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.81 3a12 h GLU 380 CO 0.04 0.54 -0.86 0.00 0.07 0.00 0.00 179.01 178.79 3a12 h ALA 381 N 1.43 0.08 0.00 1.06 0.00 -1.15 -3.38 119.26 117.31 3a12 h ALA 381 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3a12 h ALA 381 Cb 1.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3a12 h ALA 381 CO 0.07 0.53 -0.73 1.28 0.00 0.00 0.00 179.25 180.40 3a12 n LEU 382 N -4.02 0.65 0.00 0.00 4.77 0.26 -4.88 117.00 113.79 3a12 n LEU 382 Ca -0.11 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3a12 n LEU 382 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3a12 n LEU 382 CO 0.52 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3a12 n GLY 383 N 1.35 -1.84 0.18 -0.72 0.00 0.12 -4.54 105.19 99.74 3a12 n GLY 383 Ca 0.02 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.59 2.61 -2.24 -1.26 -4.56 114.28 106.24 3a12 n THR 384 Ca 0.00 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3a12 n THR 384 Cb 0.00 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.95 5.28 -3.88 3.42 8.00 -1.26 -3.18 116.55 123.97 3a12 n ASP 385 Ca 0.07 -3.11 -0.09 0.00 0.71 0.00 0.00 54.79 52.37 3a12 n ASP 385 Cb 0.38 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 39.93 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 0.26 0.15 -0.17 0.53 -4.36 -1.26 -4.33 121.20 112.01 3a12 s ILE 386 Ca 0.39 -1.24 -0.08 0.00 -0.26 0.00 0.00 60.65 59.46 3a12 s ILE 386 Cb 0.05 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 3a12 s ILE 386 CO 0.01 -0.66 0.10 -0.69 0.24 0.00 0.00 174.94 173.94 3a12 s VAL 387 N -3.87 5.12 -0.16 8.37 1.01 0.73 -2.50 120.40 129.11 3a12 s VAL 387 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 3a12 s VAL 387 Cb 0.05 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3a12 s VAL 387 CO -0.10 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.74 3a12 s LEU 388 N -0.02 3.54 -0.16 3.92 1.43 0.51 0.15 118.68 128.05 3a12 s LEU 388 Ca 0.08 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3a12 s LEU 388 Cb -0.12 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3a12 s LEU 388 CO 0.00 0.20 -0.13 -1.58 0.23 0.00 0.00 176.35 175.07 3a12 s GLN 389 N 0.17 3.26 -0.28 1.70 -0.44 -0.51 -2.03 119.66 121.54 3a12 s GLN 389 Ca 0.01 -0.72 -0.01 0.00 -2.50 0.00 0.00 55.36 52.15 3a12 s GLN 389 Cb -0.13 -2.69 0.09 0.00 -1.64 0.00 0.00 33.01 28.64 3a12 s GLN 389 CO 0.02 0.00 0.06 -0.51 0.50 0.00 0.00 175.29 175.36 3a12 s LEU 390 N 0.87 2.30 0.00 3.68 1.02 -0.81 -4.21 118.68 121.54 3a12 s LEU 390 Ca -0.04 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.66 3a12 s LEU 390 Cb -0.15 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.13 3a12 s LEU 390 CO -0.00 -0.36 0.00 0.61 0.02 0.00 0.00 176.35 176.61 3a12 n GLY 391 N 4.81 0.59 0.36 -3.19 0.00 -1.26 -3.81 105.19 102.69 3a12 n GLY 391 Ca -0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 0.09 1.17 -0.02 0.00 -1.89 -0.40 103.07 102.02 3a12 h GLY 392 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3a12 h GLY 392 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3a12 n GLY 393 N -1.61 -1.05 0.58 4.60 0.00 -1.25 -0.23 105.19 106.23 3a12 n GLY 393 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.08 1.10 0.19 2.61 -1.04 -0.39 -4.45 114.28 111.22 3a12 n THR 394 Ca 0.21 0.08 0.04 0.00 -2.04 0.00 0.00 64.05 62.34 3a12 n THR 394 Cb 0.14 -1.84 0.38 0.00 -1.82 0.00 0.00 70.33 67.19 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 -0.49 0.00 0.00 -4.42 4.07 -1.16 -2.86 115.31 110.45 3a12 h LEU 395 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3a12 h LEU 395 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 3a12 h LEU 395 CO -0.09 0.37 0.00 0.61 -1.08 0.00 0.00 178.44 178.25 3a12 n GLY 396 N -0.18 -0.83 3.77 0.83 0.00 0.68 -4.34 105.19 105.11 3a12 n GLY 396 Ca -0.01 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3a12 n GLY 396 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a12 s HIS 397 N -2.00 3.03 0.48 1.61 5.04 -1.08 -4.90 115.29 117.47 3a12 s HIS 397 Ca 0.18 1.37 0.22 0.00 -1.54 0.00 0.00 55.06 55.28 3a12 s HIS 397 Cb 0.08 -3.70 1.24 0.00 0.04 0.00 0.00 32.58 30.24 3a12 s HIS 397 CO 0.14 -1.97 1.93 -1.35 -2.34 0.00 0.00 174.74 171.15 3a12 h PRO 398 N 3.57 0.20 -0.45 2.88 0.11 -1.90 -1.04 132.00 135.38 3a12 h PRO 398 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3a12 h PRO 398 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3a12 h PRO 398 CO 0.67 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 3a12 n ASP 399 N -4.42 4.33 0.00 -2.05 8.00 -1.26 -5.07 116.55 116.07 3a12 n ASP 399 Ca 0.14 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.99 3a12 n ASP 399 Cb 0.65 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3a12 n ASP 399 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a12 n GLY 400 N 0.38 2.03 0.29 0.44 0.00 -0.39 -4.53 105.19 103.41 3a12 n GLY 400 Ca 0.22 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.37 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 0.58 -0.61 1.61 0.11 -1.77 -1.06 132.00 130.85 3a12 h PRO 401 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.08 3a12 h PRO 401 Cb 0.00 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3a12 h PRO 401 CO 0.00 0.38 0.40 0.00 -0.21 0.00 0.00 178.00 178.58 3a12 h ALA 402 N 1.52 0.78 -0.02 -0.75 0.00 -1.87 -0.81 119.26 118.10 3a12 h ALA 402 Ca 0.42 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 3a12 h ALA 402 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3a12 h ALA 402 CO -0.34 0.21 -0.64 0.00 0.00 0.00 0.00 179.25 178.48 3a12 h ALA 403 N 1.22 0.88 -0.88 0.00 0.00 -1.67 -2.06 119.26 116.76 3a12 h ALA 403 Ca 0.22 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3a12 h ALA 403 Cb -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3a12 h ALA 403 CO -0.05 0.78 0.57 0.78 0.00 0.00 0.00 179.25 181.33 3a12 h GLY 404 N 1.75 1.26 0.36 0.00 0.00 -0.59 0.25 103.07 106.08 3a12 h GLY 404 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3a12 h GLY 404 CO 0.09 0.33 -0.02 0.00 0.00 0.00 0.00 176.54 176.94 3a12 h ALA 405 N 1.51 -0.05 -0.99 3.60 0.00 -0.80 -2.05 119.26 120.47 3a12 h ALA 405 Ca 0.36 -0.30 0.20 0.00 0.00 0.00 0.00 54.91 55.17 3a12 h ALA 405 Cb 0.12 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 3a12 h ALA 405 CO -0.12 -0.21 0.59 0.00 0.00 0.00 0.00 179.25 179.51 3a12 h ARG 406 N -0.70 0.70 -0.05 0.00 3.08 -1.20 -1.67 114.38 114.53 3a12 h ARG 406 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3a12 h ARG 406 Cb 0.62 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3a12 h ARG 406 CO 0.01 0.46 0.03 0.00 -1.07 0.00 0.00 179.97 179.40 3a12 h ALA 407 N 1.66 0.07 -0.72 0.04 0.00 -0.83 -0.49 119.26 118.99 3a12 h ALA 407 Ca 0.58 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.45 3a12 h ALA 407 Cb 0.94 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3a12 h ALA 407 CO -0.40 -0.39 0.48 0.28 0.00 0.00 0.00 179.25 179.21 3a12 h VAL 408 N -0.01 1.18 0.00 0.00 2.07 -0.65 0.09 116.25 118.92 3a12 h VAL 408 Ca 0.02 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3a12 h VAL 408 Cb 0.08 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3a12 h VAL 408 CO -0.00 0.18 -0.25 0.03 0.02 0.00 0.00 177.57 177.54 3a12 h ARG 409 N 0.97 0.00 -0.09 1.57 2.47 -1.18 -1.85 114.38 116.26 3a12 h ARG 409 Ca 0.27 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 3a12 h ARG 409 Cb -0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3a12 h ARG 409 CO -0.06 0.25 -0.05 1.96 0.56 0.00 0.00 179.97 182.63 3a12 h GLN 410 N 0.00 0.20 -0.67 0.04 4.20 0.05 -1.18 115.11 117.75 3a12 h GLN 410 Ca -0.00 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 58.67 3a12 h GLN 410 Cb 0.45 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3a12 h GLN 410 CO 0.03 0.57 0.44 0.00 -0.67 0.00 0.00 178.83 179.20 3a12 h ALA 411 N 0.63 1.71 -0.11 3.87 0.00 -0.78 0.18 119.26 124.76 3a12 h ALA 411 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3a12 h ALA 411 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3a12 h ALA 411 CO 0.01 0.19 -0.38 0.82 0.00 0.00 0.00 179.25 179.89 3a12 h ILE 412 N 0.72 1.38 -0.65 0.00 2.04 -1.30 -1.24 117.51 118.45 3a12 h ILE 412 Ca 0.28 -1.71 0.08 0.00 1.00 0.00 0.00 64.86 64.51 3a12 h ILE 412 Cb 0.21 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 3a12 h ILE 412 CO -0.09 0.51 0.32 0.44 0.00 0.00 0.00 178.15 179.33 3a12 h ASP 413 N 0.03 0.42 -0.07 1.72 3.32 -0.68 0.15 116.42 121.31 3a12 h ASP 413 Ca -0.02 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3a12 h ASP 413 Cb 1.02 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3a12 h ASP 413 CO 0.08 0.26 -0.03 0.00 -1.72 0.00 0.00 179.24 177.83 3a12 h ALA 414 N 1.39 0.03 -0.08 3.45 0.00 -0.56 -1.83 119.26 121.66 3a12 h ALA 414 Ca 0.31 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3a12 h ALA 414 Cb 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3a12 h ALA 414 CO -0.24 -0.51 -0.43 0.82 0.00 0.00 0.00 179.25 178.89 3a12 h ILE 415 N -0.03 1.32 -0.05 0.00 2.04 -0.88 -0.61 117.51 119.30 3a12 h ILE 415 Ca 0.04 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 3a12 h ILE 415 Cb 0.09 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3a12 h ILE 415 CO -0.09 0.46 -0.31 0.24 0.00 0.00 0.00 178.15 178.46 3a12 h MET 416 N 0.15 0.08 -0.02 2.37 2.86 -0.49 -3.01 114.93 116.89 3a12 h MET 416 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3a12 h MET 416 Cb 0.83 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3a12 h MET 416 CO 0.06 0.39 -0.33 1.04 1.06 0.00 0.00 176.91 179.13 3a12 n GLN 417 N -4.15 1.31 -0.82 1.72 6.02 -0.71 -4.96 117.38 115.79 3a12 n GLN 417 Ca -0.02 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 3a12 n GLN 417 Cb 0.37 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 1.38 0.71 3.62 1.08 0.00 -0.36 -5.02 105.19 106.60 3a12 n GLY 418 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.63 4.87 0.45 -0.61 1.01 -0.47 -4.99 121.20 118.83 3a12 s ILE 419 Ca 0.00 1.23 -0.23 0.00 0.00 0.00 0.00 60.65 61.65 3a12 s ILE 419 Cb 0.00 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 3a12 s ILE 419 CO 0.00 -0.12 0.90 -2.65 0.00 0.00 0.00 174.94 173.07 3a12 n PRO 420 N 5.98 1.11 -0.18 2.79 -0.02 -1.26 -4.33 135.00 139.09 3a12 n PRO 420 Ca 0.02 0.40 -0.05 0.00 -2.02 0.00 0.00 63.50 61.86 3a12 n PRO 420 Cb 0.48 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.20 0.47 -0.81 2.45 -0.00 -1.95 -0.75 115.31 115.92 3a12 h LEU 421 Ca -0.44 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.48 3a12 h LEU 421 Cb 1.36 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.89 3a12 h LEU 421 CO 0.55 0.33 0.53 0.44 -0.00 0.00 0.00 178.44 180.28 3a12 h ASP 422 N 0.59 0.88 0.12 -0.43 3.45 -1.99 0.50 116.42 119.54 3a12 h ASP 422 Ca 0.22 -0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.55 3a12 h ASP 422 Cb 0.07 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 3a12 h ASP 422 CO -0.12 0.61 -0.42 -0.08 -1.57 0.00 0.00 179.24 177.67 3a12 h GLU 423 N 1.04 0.38 0.00 3.56 4.81 -1.77 -2.99 114.58 119.61 3a12 h GLU 423 Ca 0.32 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3a12 h GLU 423 Cb -0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3a12 h GLU 423 CO -0.10 0.74 -0.55 -0.92 -0.73 0.00 0.00 179.01 177.44 3a12 h TYR 424 N 0.32 0.00 -0.11 0.92 3.20 -0.38 -3.29 116.97 117.62 3a12 h TYR 424 Ca 0.03 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3a12 h TYR 424 Cb 0.87 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3a12 h TYR 424 CO 0.02 0.55 -0.18 0.00 -1.64 0.00 0.00 178.16 176.91 3a12 h ALA 425 N 1.45 1.49 -0.14 1.82 0.00 0.13 -2.72 119.26 121.30 3a12 h ALA 425 Ca -0.01 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3a12 h ALA 425 Cb 1.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3a12 h ALA 425 CO 0.07 0.36 0.13 0.87 0.00 0.00 0.00 179.25 180.68 3a12 h LYS 426 N 0.17 0.00 -0.03 0.00 1.57 -1.62 -0.63 116.57 116.03 3a12 h LYS 426 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3a12 h LYS 426 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3a12 h LYS 426 CO 0.03 0.00 -0.08 2.41 -0.57 0.00 0.00 179.45 181.24 3a12 n THR 427 N -4.02 0.00 -3.52 -0.16 -1.04 -1.03 -4.87 114.28 99.64 3a12 n THR 427 Ca 0.00 -0.46 -0.27 0.00 -2.04 0.00 0.00 64.05 61.28 3a12 n THR 427 Cb 0.24 1.44 -0.14 0.00 -1.82 0.00 0.00 70.33 70.05 3a12 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3a12 s HIS 428 N -2.00 0.24 0.22 -1.42 3.76 -0.24 -5.04 115.29 110.82 3a12 s HIS 428 Ca 0.25 -0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 3a12 s HIS 428 Cb 0.19 -0.84 0.31 0.00 1.11 0.00 0.00 32.58 33.34 3a12 s HIS 428 CO 0.33 -0.84 1.80 1.57 -0.85 0.00 0.00 174.74 176.75 3a12 h LYS 429 N 8.31 0.69 -0.29 1.40 -0.00 -1.90 -2.38 116.57 122.40 3a12 h LYS 429 Ca -0.18 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.65 60.43 3a12 h LYS 429 Cb 1.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 33.08 3a12 h LYS 429 CO 0.42 0.46 0.17 0.93 -0.00 0.00 0.00 179.45 181.43 3a12 h GLU 430 N 0.71 0.40 -0.58 0.07 3.07 -1.91 0.55 114.58 116.88 3a12 h GLU 430 Ca 0.34 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 3a12 h GLU 430 Cb 0.27 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 3a12 h GLU 430 CO -0.22 0.32 0.19 1.25 -1.40 0.00 0.00 179.01 179.14 3a12 h LEU 431 N 0.37 0.81 -0.44 1.33 5.85 -1.78 -1.46 115.31 119.99 3a12 h LEU 431 Ca 0.11 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3a12 h LEU 431 Cb 0.02 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3a12 h LEU 431 CO -0.02 0.76 0.02 0.00 -0.34 0.00 0.00 178.44 178.86 3a12 h ALA 432 N 1.35 0.59 -0.41 1.25 0.00 -0.89 -1.28 119.26 119.87 3a12 h ALA 432 Ca 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3a12 h ALA 432 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3a12 h ALA 432 CO -0.01 0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.70 3a12 h ARG 433 N 0.60 0.61 0.39 0.00 2.47 -0.64 0.74 114.38 118.55 3a12 h ARG 433 Ca 0.13 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 3a12 h ARG 433 Cb 0.46 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3a12 h ARG 433 CO 0.02 0.56 -0.19 0.00 0.56 0.00 0.00 179.97 180.92 3a12 h ALA 434 N 1.52 -0.52 0.00 0.04 0.00 -0.94 -2.48 119.26 116.88 3a12 h ALA 434 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3a12 h ALA 434 Cb 0.23 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3a12 h ALA 434 CO -0.00 -0.72 -0.06 -0.07 0.00 0.00 0.00 179.25 178.39 3a12 h LEU 435 N -0.66 0.00 -0.44 0.00 3.38 -0.99 -1.07 115.31 115.53 3a12 h LEU 435 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3a12 h LEU 435 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3a12 h LEU 435 CO 0.09 0.06 0.10 -0.08 0.09 0.00 0.00 178.44 178.70 3a12 h GLU 436 N 0.00 0.71 0.08 1.13 4.81 -0.67 0.29 114.58 120.92 3a12 h GLU 436 Ca -0.00 -0.17 -0.27 0.00 -0.13 0.00 0.00 59.36 58.78 3a12 h GLU 436 Cb 0.12 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3a12 h GLU 436 CO 0.01 0.72 -1.15 -0.22 -0.73 0.00 0.00 179.01 177.64 3a12 h LYS 437 N 0.58 0.47 0.00 1.92 3.64 -0.88 -3.40 116.57 118.90 3a12 h LYS 437 Ca 0.14 -0.62 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3a12 h LYS 437 Cb 0.33 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3a12 h LYS 437 CO 0.00 1.25 -1.28 0.91 -2.27 0.00 0.00 179.45 178.07 3a12 n TRP 438 N -3.72 0.00 -2.70 1.91 8.01 -0.49 -5.09 117.44 115.36 3a12 n TRP 438 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 3a12 n TRP 438 Cb 0.95 -0.16 0.00 0.00 -2.01 0.00 0.00 31.31 30.08 3a12 n TRP 438 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a12 n GLY 439 N 2.37 2.60 0.93 6.99 0.00 0.09 -2.71 105.19 115.47 3a12 n GLY 439 Ca -0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 3a12 n GLY 439 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a12 n HIS 440 N 13.54 0.69 -2.57 1.61 8.25 -1.26 -4.21 115.22 131.28 3a12 n HIS 440 Ca 0.00 -1.52 -0.35 0.00 -0.26 0.00 0.00 57.72 55.59 3a12 n HIS 440 Cb 0.00 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 30.67 3a12 n HIS 440 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a12 s VAL 441 N -3.22 3.81 -0.42 1.59 0.11 -1.10 -4.80 120.40 116.37 3a12 s VAL 441 Ca 0.42 1.23 -0.14 0.00 -2.93 0.00 0.00 61.98 60.56 3a12 s VAL 441 Cb 0.39 -3.55 0.04 0.00 -1.53 0.00 0.00 36.38 31.72 3a12 s VAL 441 CO -0.02 -0.15 0.30 -0.89 -3.33 0.00 0.00 175.10 171.01 3a12 s THR 442 N -1.87 5.07 0.69 5.04 2.01 -1.26 -4.82 115.64 120.50 3a12 s THR 442 Ca 0.63 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.66 3a12 s THR 442 Cb -0.18 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.46 3a12 s THR 442 CO 0.22 -0.37 1.13 -2.84 -0.69 0.00 0.00 174.62 172.08 3a12 s PRO 443 N 1.63 2.55 0.00 4.92 0.02 -1.26 -4.98 135.00 137.88 3a12 s PRO 443 Ca 0.04 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3a12 s PRO 443 Cb -0.20 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.40 3a12 s PRO 443 CO 0.08 -1.46 0.00 0.28 -0.33 0.00 0.00 177.00 175.57