#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 h ASP 10 N 0.00 0.00 0.38 7.72 5.19 -1.92 -2.87 116.42 124.91 3a12 h ASP 10 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3a12 h ASP 10 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3a12 h ASP 10 CO 0.00 0.00 -0.06 0.22 -3.12 0.00 0.00 179.24 176.28 3a12 h TYR 11 N 0.00 0.00 -0.13 4.55 3.20 -2.00 -2.75 116.97 119.84 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 0.66 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3a12 h TYR 11 CO 0.00 0.06 0.00 0.66 -1.64 0.00 0.00 178.16 177.24 3a12 n TYR 12 N -3.42 0.16 -4.15 -3.82 4.01 -1.08 -4.74 117.16 104.11 3a12 n TYR 12 Ca -0.02 -0.08 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 3a12 n TYR 12 Cb 0.20 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.84 4.05 -0.36 -0.72 1.01 -1.04 -0.36 120.40 121.13 3a12 s VAL 13 Ca 0.32 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3a12 s VAL 13 Cb 0.17 -2.81 0.16 0.00 0.00 0.00 0.00 36.38 33.90 3a12 s VAL 13 CO 0.26 0.45 0.42 -0.62 0.00 0.00 0.00 175.10 175.61 3a12 s ASP 14 N 0.75 0.59 0.02 3.32 -1.08 -0.69 -4.93 116.67 114.64 3a12 s ASP 14 Ca 0.00 -1.24 0.15 0.00 -0.52 0.00 0.00 52.55 50.94 3a12 s ASP 14 Cb -0.14 0.89 0.65 0.00 -1.46 0.00 0.00 42.92 42.86 3a12 s ASP 14 CO 0.02 -0.26 1.49 0.29 0.52 0.00 0.00 175.17 177.23 3a12 n LYS 15 N 4.47 0.01 0.00 4.34 5.02 -1.26 -2.01 118.16 128.73 3a12 n LYS 15 Ca 0.09 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 3a12 n LYS 15 Cb 0.48 -1.52 0.23 0.00 -0.02 0.00 0.00 35.03 34.20 3a12 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a12 n GLY 16 N 0.02 -0.71 3.74 0.72 0.00 -1.26 -4.86 105.19 102.84 3a12 n GLY 16 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3a12 n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a12 s TYR 17 N -2.67 3.35 -0.21 1.61 5.04 -0.85 -5.03 117.35 118.59 3a12 s TYR 17 Ca 0.18 1.32 -0.04 0.00 -2.44 0.00 0.00 57.07 56.10 3a12 s TYR 17 Cb 0.18 -3.51 -0.01 0.00 0.35 0.00 0.00 41.96 38.97 3a12 s TYR 17 CO 0.61 -1.52 -0.04 -2.00 -1.34 0.00 0.00 175.55 171.27 3a12 s GLU 18 N -0.10 3.43 0.52 4.97 2.56 -1.26 -4.91 118.70 123.91 3a12 s GLU 18 Ca 0.55 -0.60 -0.21 0.00 0.00 0.00 0.00 54.97 54.71 3a12 s GLU 18 Cb -0.34 -3.01 -0.06 0.00 2.00 0.00 0.00 34.13 32.72 3a12 s GLU 18 CO 0.37 -0.14 1.18 -1.25 -0.56 0.00 0.00 175.26 174.86 3a12 s PRO 19 N 1.34 3.41 -0.10 4.30 0.04 -1.26 -4.99 135.00 137.74 3a12 s PRO 19 Ca 0.04 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 3a12 s PRO 19 Cb -0.14 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3a12 s PRO 19 CO -0.02 -0.84 0.79 0.45 0.04 0.00 0.00 177.00 177.43 3a12 s SER 20 N -1.52 7.03 0.46 6.66 0.15 -1.26 -4.96 113.70 120.26 3a12 s SER 20 Ca 0.70 1.25 0.14 0.00 0.70 0.00 0.00 55.95 58.74 3a12 s SER 20 Cb -0.28 -2.45 1.04 0.00 -1.71 0.00 0.00 66.02 62.62 3a12 s SER 20 CO 0.32 -0.25 2.03 0.11 1.20 0.00 0.00 173.24 176.66 3a12 h LYS 21 N 7.00 0.07 0.00 5.44 1.57 -1.94 -2.22 116.57 126.50 3a12 h LYS 21 Ca -0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3a12 h LYS 21 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3a12 h LYS 21 CO 0.78 0.17 -1.30 1.63 -0.57 0.00 0.00 179.45 180.16 3a12 n LYS 22 N -4.39 0.56 -0.00 3.15 4.76 -1.26 -4.57 118.16 116.41 3a12 n LYS 22 Ca -0.02 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.45 3a12 n LYS 22 Cb 0.19 -1.69 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 3a12 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a12 n ARG 23 N -2.42 1.53 -4.39 1.97 1.74 -1.18 -4.63 116.66 109.27 3a12 n ARG 23 Ca -0.01 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.70 3a12 n ARG 23 Cb 0.54 -1.02 -0.11 0.00 -1.02 0.00 0.00 32.46 30.85 3a12 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a12 s ASP 24 N -2.28 5.03 0.03 0.55 1.01 -0.84 -1.19 116.67 118.98 3a12 s ASP 24 Ca -0.01 0.02 -0.20 0.00 0.71 0.00 0.00 52.55 53.07 3a12 s ASP 24 Cb 0.03 -1.57 -0.06 0.00 1.01 0.00 0.00 42.92 42.34 3a12 s ASP 24 CO 0.20 0.29 0.58 -0.63 0.21 0.00 0.00 175.17 175.83 3a12 s ILE 25 N -0.35 4.82 -0.13 0.77 1.01 0.15 -4.11 121.20 123.36 3a12 s ILE 25 Ca 0.06 1.24 0.02 0.00 0.00 0.00 0.00 60.65 61.97 3a12 s ILE 25 Cb -0.12 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.44 3a12 s ILE 25 CO 0.02 0.48 -0.19 -0.63 0.00 0.00 0.00 174.94 174.62 3a12 s ILE 26 N -0.62 1.82 -0.18 2.92 1.01 -1.01 -0.02 121.20 125.12 3a12 s ILE 26 Ca 0.30 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 3a12 s ILE 26 Cb -0.19 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 3a12 s ILE 26 CO 0.18 0.50 0.15 0.00 0.00 0.00 0.00 174.94 175.77 3a12 s ALA 27 N 0.93 3.71 -0.31 9.38 0.00 0.01 -0.31 121.76 135.16 3a12 s ALA 27 Ca -0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 3a12 s ALA 27 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.82 3a12 s ALA 27 CO -0.03 0.22 0.11 0.08 0.00 0.00 0.00 175.76 176.14 3a12 s VAL 28 N 0.17 4.12 -0.07 0.00 1.01 -0.43 -0.96 120.40 124.25 3a12 s VAL 28 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3a12 s VAL 28 Cb -0.11 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3a12 s VAL 28 CO -0.00 0.01 -0.06 -0.36 0.00 0.00 0.00 175.10 174.68 3a12 s PHE 29 N 1.51 2.96 -0.35 5.22 0.08 -0.03 0.42 117.98 127.79 3a12 s PHE 29 Ca 0.02 0.04 -0.20 0.00 0.12 0.00 0.00 56.93 56.92 3a12 s PHE 29 Cb -0.18 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 3a12 s PHE 29 CO 0.04 0.35 0.59 0.50 -0.10 0.00 0.00 175.22 176.60 3a12 s ARG 30 N -0.84 3.69 -0.14 0.44 3.52 0.77 0.16 118.95 126.55 3a12 s ARG 30 Ca 0.13 0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.74 3a12 s ARG 30 Cb -0.11 -3.80 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 3a12 s ARG 30 CO 0.02 -0.68 -0.13 0.08 -0.81 0.00 0.00 175.30 173.77 3a12 s VAL 31 N 2.59 2.98 -0.32 7.11 1.01 0.22 -1.35 120.40 132.64 3a12 s VAL 31 Ca 0.23 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3a12 s VAL 31 Cb -0.15 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.05 3a12 s VAL 31 CO 0.14 0.52 0.01 -0.89 0.00 0.00 0.00 175.10 174.88 3a12 s THR 32 N 0.52 2.67 0.55 3.92 2.01 -0.17 -0.26 115.64 124.89 3a12 s THR 32 Ca -0.09 -1.76 -0.20 0.00 0.31 0.00 0.00 61.69 59.95 3a12 s THR 32 Cb -0.16 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3a12 s THR 32 CO 0.04 -0.28 1.20 -2.84 -0.69 0.00 0.00 174.62 172.04 3a12 s PRO 33 N 1.12 3.21 0.53 4.92 0.02 -1.26 0.13 135.00 143.67 3a12 s PRO 33 Ca -0.01 1.80 -0.19 0.00 0.02 0.00 0.00 61.00 62.63 3a12 s PRO 33 Cb -0.20 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.20 3a12 s PRO 33 CO -0.04 -1.01 1.05 0.00 -0.33 0.00 0.00 177.00 176.67 3a12 s ALA 34 N -1.60 2.81 -0.24 -1.55 0.00 -0.39 -4.19 121.76 116.60 3a12 s ALA 34 Ca 0.74 0.55 -0.35 0.00 0.00 0.00 0.00 51.96 52.90 3a12 s ALA 34 Cb -0.29 -3.25 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 3a12 s ALA 34 CO 0.33 -0.51 1.11 -1.91 0.00 0.00 0.00 175.76 174.77 3a12 n GLU 35 N -1.35 0.00 -1.02 0.00 2.13 -1.26 -1.81 120.64 117.33 3a12 n GLU 35 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3a12 n GLU 35 Cb 0.52 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 31.04 3a12 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a12 n GLY 36 N 2.41 0.61 3.02 8.31 0.00 -1.26 -5.07 105.19 113.21 3a12 n GLY 36 Ca 0.21 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 0.65 1.61 2.02 -0.75 -5.14 117.35 114.55 3a12 s TYR 37 Ca 0.00 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 3a12 s TYR 37 Cb 0.00 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 41.01 3a12 s TYR 37 CO 0.00 -0.03 1.05 0.95 -1.57 0.00 0.00 175.55 175.95 3a12 s THR 38 N -0.14 4.14 0.22 -0.71 -4.23 -1.26 -4.74 115.64 108.93 3a12 s THR 38 Ca 0.02 0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 61.24 3a12 s THR 38 Cb -0.04 -3.50 0.17 0.00 1.34 0.00 0.00 72.50 70.47 3a12 s THR 38 CO -0.00 -0.82 1.78 -0.29 -0.54 0.00 0.00 174.62 174.75 3a12 h ILE 39 N -0.28 0.87 -0.99 2.99 6.09 -1.98 -1.87 117.51 122.33 3a12 h ILE 39 Ca -0.45 -0.21 0.08 0.00 -1.37 0.00 0.00 64.86 62.91 3a12 h ILE 39 Cb 1.21 0.20 -0.07 0.00 0.47 0.00 0.00 36.82 38.63 3a12 h ILE 39 CO 0.58 0.11 0.64 -0.33 -3.07 0.00 0.00 178.15 176.08 3a12 h GLU 40 N 0.62 1.09 0.00 2.19 3.07 -1.98 0.18 114.58 119.74 3a12 h GLU 40 Ca 0.34 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.04 3a12 h GLU 40 Cb 0.33 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3a12 h GLU 40 CO -0.25 0.72 -0.45 1.96 -1.40 0.00 0.00 179.01 179.59 3a12 h GLN 41 N 1.12 0.00 0.03 2.33 4.20 -1.73 -0.99 115.11 120.08 3a12 h GLN 41 Ca 0.44 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.05 3a12 h GLN 41 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3a12 h GLN 41 CO -0.19 0.45 -0.48 0.00 -0.67 0.00 0.00 178.83 177.95 3a12 h ALA 42 N 1.55 0.05 -0.86 3.87 0.00 -0.60 -3.03 119.26 120.23 3a12 h ALA 42 Ca -0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 3a12 h ALA 42 Cb 0.81 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3a12 h ALA 42 CO 0.06 0.26 0.52 0.00 0.00 0.00 0.00 179.25 180.09 3a12 h ALA 43 N -0.09 1.28 -0.44 0.00 0.00 -0.72 -0.26 119.26 119.04 3a12 h ALA 43 Ca -0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3a12 h ALA 43 Cb 1.22 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3a12 h ALA 43 CO -0.01 0.61 0.20 0.78 0.00 0.00 0.00 179.25 180.83 3a12 h GLY 44 N 1.20 0.60 1.13 0.00 0.00 -1.29 0.18 103.07 104.89 3a12 h GLY 44 Ca 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 3a12 h GLY 44 CO -0.06 0.08 0.14 0.00 0.00 0.00 0.00 176.54 176.70 3a12 h ALA 45 N 1.25 0.99 -0.25 3.60 0.00 -1.18 0.19 119.26 123.85 3a12 h ALA 45 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a12 h ALA 45 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a12 h ALA 45 CO -0.16 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.08 3a12 h VAL 46 N 1.02 1.21 -0.52 0.00 2.07 -0.60 -0.89 116.25 118.53 3a12 h VAL 46 Ca 0.21 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3a12 h VAL 46 Cb 0.38 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3a12 h VAL 46 CO 0.00 0.22 0.33 0.00 0.02 0.00 0.00 177.57 178.14 3a12 h ALA 47 N 0.88 0.66 -0.22 1.67 0.00 -0.42 -2.06 119.26 119.77 3a12 h ALA 47 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a12 h ALA 47 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3a12 h ALA 47 CO 0.00 0.13 0.07 0.00 0.00 0.00 0.00 179.25 179.44 3a12 h ALA 48 N 1.17 0.29 0.00 0.00 0.00 -0.85 -3.10 119.26 116.76 3a12 h ALA 48 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 48 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a12 h ALA 48 CO -0.04 -0.08 0.00 0.93 0.00 0.00 0.00 179.25 180.06 3a12 h GLU 49 N 0.18 0.00 -0.63 0.00 4.39 -1.08 0.22 114.58 117.67 3a12 h GLU 49 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3a12 h GLU 49 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3a12 h GLU 49 CO -0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 3a12 n SER 50 N -2.89 3.92 0.00 1.42 3.41 -0.78 -4.85 113.62 113.85 3a12 n SER 50 Ca 0.03 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3a12 n SER 50 Cb 0.40 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3a12 n SER 50 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3a12 n SER 51 N 0.86 0.00 -0.67 4.04 2.88 -0.99 -4.55 113.62 115.20 3a12 n SER 51 Ca 0.21 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.82 3a12 n SER 51 Cb 0.74 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.32 3a12 n SER 51 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3a12 n THR 52 N 0.00 0.51 -1.57 2.46 -2.24 -1.17 -5.04 114.28 107.23 3a12 n THR 52 Ca 0.00 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 3a12 n THR 52 Cb 0.00 0.88 0.09 0.00 -2.10 0.00 0.00 70.33 69.20 3a12 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a12 n GLY 53 N 0.75 -1.02 3.60 3.38 0.00 0.72 -5.04 105.19 107.59 3a12 n GLY 53 Ca 0.11 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.21 0.00 -0.32 2.61 -1.32 -1.26 -4.81 115.64 108.33 3a12 s THR 54 Ca 0.35 -0.38 0.23 0.00 -1.21 0.00 0.00 61.69 60.67 3a12 s THR 54 Cb -0.01 -1.41 0.02 0.00 -1.51 0.00 0.00 72.50 69.58 3a12 s THR 54 CO 0.24 0.00 1.11 4.11 -2.21 0.00 0.00 174.62 177.87 3a12 h TRP 55 N 2.00 0.00 -4.37 9.09 5.08 -2.00 -3.46 115.95 122.30 3a12 h TRP 55 Ca -0.27 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.48 3a12 h TRP 55 Cb 1.27 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.39 3a12 h TRP 55 CO 0.31 0.00 -0.16 -2.37 -1.28 0.00 0.00 178.44 174.94 3a12 n THR 56 N -2.58 0.00 -1.63 0.12 5.66 -1.26 -5.03 114.28 109.56 3a12 n THR 56 Ca 0.01 -0.80 -0.30 0.00 -3.05 0.00 0.00 64.05 59.90 3a12 n THR 56 Cb 0.53 0.14 0.07 0.00 -1.55 0.00 0.00 70.33 69.52 3a12 n THR 56 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3a12 s THR 57 N -1.59 3.56 -0.00 1.09 -4.23 -1.26 -5.05 115.64 108.15 3a12 s THR 57 Ca 0.00 0.51 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 3a12 s THR 57 Cb -0.00 -3.31 -0.02 0.00 1.34 0.00 0.00 72.50 70.52 3a12 s THR 57 CO 0.00 -0.66 -0.20 -1.48 -0.54 0.00 0.00 174.62 171.74 3a12 s LEU 58 N -5.60 2.07 0.11 4.79 0.05 -1.26 -5.12 118.68 113.72 3a12 s LEU 58 Ca 0.59 -0.40 -0.30 0.00 0.05 0.00 0.00 54.13 54.07 3a12 s LEU 58 Cb -0.13 -1.02 -0.06 0.00 -2.05 0.00 0.00 46.19 42.93 3a12 s LEU 58 CO 0.54 0.23 0.97 -0.72 -0.55 0.00 0.00 176.35 176.82 3a12 s TYR 59 N -0.54 3.79 -0.92 3.48 1.13 -1.26 -4.99 117.35 118.04 3a12 s TYR 59 Ca 0.08 1.78 -0.24 0.00 -1.41 0.00 0.00 57.07 57.28 3a12 s TYR 59 Cb -0.08 -3.07 0.02 0.00 -1.10 0.00 0.00 41.96 37.73 3a12 s TYR 59 CO -0.00 0.14 1.56 -2.14 -2.51 0.00 0.00 175.55 172.60 3a12 s PRO 60 N 0.06 3.23 0.00 -3.49 0.02 -1.26 -4.68 135.00 128.88 3a12 s PRO 60 Ca 0.47 -0.67 0.02 0.00 0.02 0.00 0.00 61.00 60.84 3a12 s PRO 60 Cb -0.23 -5.04 0.06 0.00 0.02 0.00 0.00 34.50 29.31 3a12 s PRO 60 CO 0.30 -2.50 1.01 -2.67 -0.33 0.00 0.00 177.00 172.82 3a12 n TRP 61 N 10.37 0.09 -4.20 6.54 4.27 -1.26 -5.02 117.44 128.23 3a12 n TRP 61 Ca 0.29 -0.46 -0.12 0.00 -3.89 0.00 0.00 57.50 53.32 3a12 n TRP 61 Cb 0.50 -0.04 -0.10 0.00 -1.36 0.00 0.00 31.31 30.31 3a12 n TRP 61 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 3a12 s TYR 62 N -0.93 1.01 -0.21 -2.67 -0.85 -1.26 -5.10 117.35 107.33 3a12 s TYR 62 Ca 0.05 -0.93 -0.29 0.00 -0.52 0.00 0.00 57.07 55.38 3a12 s TYR 62 Cb 0.02 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 3a12 s TYR 62 CO 0.03 -0.15 1.85 -2.00 -1.52 0.00 0.00 175.55 173.76 3a12 s GLU 63 N -3.85 3.56 0.24 -3.49 2.12 -1.26 -4.90 118.70 111.12 3a12 s GLU 63 Ca 0.16 1.81 -0.06 0.00 0.36 0.00 0.00 54.97 57.24 3a12 s GLU 63 Cb 0.05 -4.17 0.35 0.00 0.26 0.00 0.00 34.13 30.62 3a12 s GLU 63 CO -0.02 -1.59 1.82 1.96 -0.54 0.00 0.00 175.26 176.89 3a12 h GLN 64 N 12.29 0.79 -0.77 4.30 1.08 -1.99 -2.59 115.11 128.22 3a12 h GLN 64 Ca -0.37 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.76 3a12 h GLN 64 Cb 1.19 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.40 3a12 h GLN 64 CO 0.99 0.52 0.43 0.93 -0.95 0.00 0.00 178.83 180.75 3a12 h GLU 65 N 0.81 1.07 -0.13 1.46 4.39 -1.99 0.54 114.58 120.73 3a12 h GLU 65 Ca 0.37 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 3a12 h GLU 65 Cb 0.28 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3a12 h GLU 65 CO -0.22 0.78 -0.19 -0.09 -1.16 0.00 0.00 179.01 178.13 3a12 h ARG 66 N 1.08 0.36 0.11 2.33 2.43 -1.88 -1.45 114.38 117.36 3a12 h ARG 66 Ca 0.27 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3a12 h ARG 66 Cb 0.02 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3a12 h ARG 66 CO -0.05 0.79 -0.18 2.35 -1.51 0.00 0.00 179.97 181.37 3a12 h TRP 67 N -0.04 -0.47 -0.67 2.20 7.01 -1.25 -1.87 115.95 120.86 3a12 h TRP 67 Ca 0.01 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.09 3a12 h TRP 67 Cb 0.75 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.96 3a12 h TRP 67 CO 0.09 -0.27 0.44 0.00 -2.79 0.00 0.00 178.44 175.92 3a12 h ALA 68 N 0.47 1.78 0.00 2.65 0.00 -0.88 -2.00 119.26 121.28 3a12 h ALA 68 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3a12 h ALA 68 Cb 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3a12 h ALA 68 CO -0.09 0.11 -0.15 0.22 0.00 0.00 0.00 179.25 179.33 3a12 h ASP 69 N 0.65 0.00 -0.02 0.00 3.58 -0.46 -2.93 116.42 117.24 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 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3a12 h ASP 69 CO -0.09 0.15 -0.18 0.18 -2.88 0.00 0.00 179.24 176.42 3a12 n LEU 70 N -3.25 2.54 -4.76 2.28 4.77 -0.77 -4.90 117.00 112.91 3a12 n LEU 70 Ca 0.01 -0.87 -0.39 0.00 -0.03 0.00 0.00 56.01 54.73 3a12 n LEU 70 Cb 0.43 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3a12 n LEU 70 CO 0.32 0.44 0.74 -0.44 -1.33 0.00 0.00 177.39 177.12 3a12 s SER 71 N -2.19 7.22 0.55 -1.43 0.01 -1.11 -4.69 113.70 112.06 3a12 s SER 71 Ca 0.25 2.11 -0.14 0.00 1.31 0.00 0.00 55.95 59.48 3a12 s SER 71 Cb 0.19 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 3a12 s SER 71 CO 0.41 -0.17 0.98 0.00 0.41 0.00 0.00 173.24 174.87 3a12 s ALA 72 N -1.34 3.11 -0.09 1.44 0.00 -1.26 -4.73 121.76 118.89 3a12 s ALA 72 Ca 0.48 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.47 3a12 s ALA 72 Cb -0.27 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3a12 s ALA 72 CO 0.34 -0.41 -0.09 0.15 0.00 0.00 0.00 175.76 175.76 3a12 s LYS 73 N -4.52 1.52 -0.30 0.00 -0.14 -0.32 -4.72 119.74 111.25 3a12 s LYS 73 Ca 0.56 -0.29 -0.28 0.00 -1.36 0.00 0.00 55.97 54.61 3a12 s LYS 73 Cb -0.10 -1.47 0.01 0.00 -1.68 0.00 0.00 37.83 34.59 3a12 s LYS 73 CO 0.41 -0.16 1.01 0.00 -0.76 0.00 0.00 175.35 175.85 3a12 s ALA 74 N 1.32 3.53 0.00 5.17 0.00 0.51 -0.61 121.76 131.69 3a12 s ALA 74 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3a12 s ALA 74 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3a12 s ALA 74 CO -0.04 -1.36 0.00 2.48 0.00 0.00 0.00 175.76 176.84 3a12 n TYR 75 N 6.65 0.00 -4.07 0.00 0.18 -0.20 -1.71 117.16 118.01 3a12 n TYR 75 Ca 0.10 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.67 3a12 n TYR 75 Cb 0.47 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.27 3a12 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a12 s ASP 76 N -1.19 1.15 -0.14 9.48 2.15 -1.22 -4.43 116.67 122.46 3a12 s ASP 76 Ca 0.00 -0.13 0.01 0.00 0.43 0.00 0.00 52.55 52.86 3a12 s ASP 76 Cb 0.00 -0.47 0.02 0.00 -0.30 0.00 0.00 42.92 42.17 3a12 s ASP 76 CO 0.00 -0.09 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.39 3a12 s PHE 77 N 1.17 2.24 -0.19 -5.34 0.08 -1.26 -1.33 117.98 113.36 3a12 s PHE 77 Ca -0.07 -1.19 0.01 0.00 0.12 0.00 0.00 56.93 55.80 3a12 s PHE 77 Cb -0.14 -1.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3a12 s PHE 77 CO -0.01 -0.61 -0.15 -1.58 -0.10 0.00 0.00 175.22 172.76 3a12 s HIS 78 N 1.21 2.60 -0.15 0.36 5.65 0.00 -4.98 115.29 119.98 3a12 s HIS 78 Ca -0.01 -1.62 -0.29 0.00 0.25 0.00 0.00 55.06 53.39 3a12 s HIS 78 Cb -0.14 -1.77 -0.02 0.00 -1.18 0.00 0.00 32.58 29.47 3a12 s HIS 78 CO -0.07 -0.77 1.23 0.34 -0.65 0.00 0.00 174.74 174.83 3a12 s ASP 79 N 1.34 6.98 0.38 9.88 -1.08 -1.26 -0.42 116.67 132.49 3a12 s ASP 79 Ca 0.02 1.69 0.23 0.00 -0.52 0.00 0.00 52.55 53.96 3a12 s ASP 79 Cb -0.15 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.03 3a12 s ASP 79 CO -0.10 -0.72 1.47 0.24 0.52 0.00 0.00 175.17 176.58 3a12 h MET 80 N 8.01 0.00 0.00 4.34 2.86 -1.65 -3.48 114.93 125.01 3a12 h MET 80 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3a12 h MET 80 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3a12 h MET 80 CO 0.95 0.01 0.00 0.41 1.06 0.00 0.00 176.91 179.35 3a12 n GLY 81 N 1.12 0.63 0.08 8.32 0.00 -1.25 -4.91 105.19 109.18 3a12 n GLY 81 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.69 3a12 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a12 n ASP 82 N 0.70 1.24 0.00 1.61 5.68 -1.26 -4.96 116.55 119.56 3a12 n ASP 82 Ca 0.00 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 3a12 n ASP 82 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.47 0.66 3.56 6.12 0.00 -1.26 -5.07 105.19 108.73 3a12 n GLY 83 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.70 4.20 0.08 1.61 1.04 -1.26 -4.24 113.70 112.44 3a12 s SER 84 Ca 0.00 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 55.85 3a12 s SER 84 Cb 0.00 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 3a12 s SER 84 CO 0.00 0.09 -0.15 0.26 0.98 0.00 0.00 173.24 174.42 3a12 s TRP 85 N -1.84 1.28 -0.32 5.02 0.52 0.64 -1.57 118.94 122.67 3a12 s TRP 85 Ca 0.26 -0.48 -0.19 0.00 0.02 0.00 0.00 56.10 55.71 3a12 s TRP 85 Cb -0.08 -0.71 -0.01 0.00 -1.15 0.00 0.00 33.47 31.52 3a12 s TRP 85 CO 0.15 0.08 0.54 0.42 0.02 0.00 0.00 176.95 178.17 3a12 s ILE 86 N -1.43 5.01 -0.11 2.03 -1.09 0.44 0.70 121.20 126.74 3a12 s ILE 86 Ca 0.00 0.61 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 3a12 s ILE 86 Cb -0.09 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3a12 s ILE 86 CO 0.02 -0.12 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.77 3a12 s VAL 87 N 2.44 2.85 -0.19 2.92 1.01 0.12 -0.82 120.40 128.74 3a12 s VAL 87 Ca 0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3a12 s VAL 87 Cb -0.15 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3a12 s VAL 87 CO 0.12 0.54 0.11 -0.13 0.00 0.00 0.00 175.10 175.74 3a12 s ARG 88 N 0.23 4.08 -0.10 2.72 0.52 -0.44 -0.85 118.95 125.10 3a12 s ARG 88 Ca -0.10 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 3a12 s ARG 88 Cb -0.16 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3a12 s ARG 88 CO 0.06 0.33 -0.15 0.42 0.02 0.00 0.00 175.30 175.98 3a12 s ILE 89 N 0.26 1.44 -0.17 1.52 1.01 -0.13 -1.03 121.20 124.10 3a12 s ILE 89 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 3a12 s ILE 89 Cb -0.11 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 3a12 s ILE 89 CO -0.01 0.43 0.12 0.00 0.00 0.00 0.00 174.94 175.48 3a12 s ALA 90 N 0.90 3.72 -0.05 9.38 0.00 0.22 -0.81 121.76 135.12 3a12 s ALA 90 Ca -0.09 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3a12 s ALA 90 Cb -0.15 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 3a12 s ALA 90 CO 0.00 0.32 -0.21 0.71 0.00 0.00 0.00 175.76 176.58 3a12 s TYR 91 N -0.12 2.06 0.26 0.00 2.02 0.98 -1.17 117.35 121.37 3a12 s TYR 91 Ca 0.10 -0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 3a12 s TYR 91 Cb -0.11 -1.37 -0.09 0.00 -0.40 0.00 0.00 41.96 39.98 3a12 s TYR 91 CO 0.00 -0.19 1.22 -1.25 -1.57 0.00 0.00 175.55 173.76 3a12 s PRO 92 N -0.07 4.48 0.41 -1.71 0.04 -1.26 0.34 135.00 137.24 3a12 s PRO 92 Ca -0.04 1.98 0.13 0.00 0.04 0.00 0.00 61.00 63.12 3a12 s PRO 92 Cb -0.13 -3.17 0.98 0.00 0.04 0.00 0.00 34.50 32.23 3a12 s PRO 92 CO 0.03 -0.05 1.92 0.27 0.04 0.00 0.00 177.00 179.21 3a12 h PHE 93 N 4.30 0.56 0.00 0.56 -5.15 -1.51 -2.13 116.94 113.58 3a12 h PHE 93 Ca -0.46 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3a12 h PHE 93 Cb 1.22 -0.18 0.00 0.00 0.22 0.00 0.00 35.95 37.21 3a12 h PHE 93 CO 0.59 0.23 0.00 -2.39 -2.00 0.00 0.00 178.31 174.74 3a12 n HIS 94 N -4.49 0.00 0.42 6.09 1.44 -1.26 -2.16 115.22 115.26 3a12 n HIS 94 Ca 0.14 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.97 3a12 n HIS 94 Cb 0.47 0.00 0.27 0.00 0.12 0.00 0.00 29.99 30.85 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 2.90 0.95 -3.18 1.59 0.00 -1.71 -3.46 119.26 116.34 3a12 h ALA 95 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3a12 h ALA 95 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3a12 h ALA 95 CO 0.00 0.00 -0.68 -0.06 0.00 0.00 0.00 179.25 178.51 3a12 s PHE 96 N -3.17 2.87 0.24 0.00 0.08 -0.92 -5.08 117.98 112.00 3a12 s PHE 96 Ca 0.08 -0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 3a12 s PHE 96 Cb 0.09 -1.45 -0.10 0.00 -0.57 0.00 0.00 43.02 40.99 3a12 s PHE 96 CO 0.65 0.48 1.50 -2.00 -0.10 0.00 0.00 175.22 175.75 3a12 s GLU 97 N -2.57 4.23 0.50 0.44 2.12 -1.26 -4.95 118.70 117.20 3a12 s GLU 97 Ca 0.26 2.36 -0.22 0.00 0.36 0.00 0.00 54.97 57.73 3a12 s GLU 97 Cb -0.10 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 3a12 s GLU 97 CO 0.17 -0.50 1.20 -1.83 -0.54 0.00 0.00 175.26 173.77 3a12 s GLU 98 N -0.02 3.53 -1.60 4.30 -1.05 -1.26 -3.10 118.70 119.49 3a12 s GLU 98 Ca 0.63 1.86 -0.14 0.00 -0.15 0.00 0.00 54.97 57.16 3a12 s GLU 98 Cb -0.43 -2.30 0.11 0.00 -0.44 0.00 0.00 34.13 31.07 3a12 s GLU 98 CO 0.41 -0.76 0.79 0.00 0.95 0.00 0.00 175.26 176.64 3a12 n ALA 99 N -0.76 -1.40 -3.67 -0.84 0.00 -1.26 -4.93 120.51 107.64 3a12 n ALA 99 Ca 0.09 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.26 3a12 n ALA 99 Cb 0.48 -3.43 -0.11 0.00 0.00 0.00 0.00 19.45 16.38 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 -3.49 3.30 0.13 0.00 3.84 -1.18 -4.98 114.94 112.56 3a12 s ASN 100 Ca 0.59 -3.31 -0.16 0.00 0.21 0.00 0.00 52.86 50.19 3a12 s ASN 100 Cb -0.31 -1.06 -0.01 0.00 -0.55 0.00 0.00 41.25 39.32 3a12 s ASN 100 CO 0.89 -0.15 1.66 0.25 -2.79 0.00 0.00 177.10 176.96 3a12 h LEU 101 N 5.76 0.56 -0.86 3.21 5.85 -1.91 -2.02 115.31 125.90 3a12 h LEU 101 Ca 0.16 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.82 3a12 h LEU 101 Cb 0.85 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 3a12 h LEU 101 CO 0.54 0.60 0.47 -0.65 -0.34 0.00 0.00 178.44 179.06 3a12 h PRO 102 N 0.49 0.70 -0.35 5.25 0.11 -1.94 -0.59 132.00 135.67 3a12 h PRO 102 Ca 0.13 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 3a12 h PRO 102 Cb 0.23 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3a12 h PRO 102 CO -0.01 0.46 -0.14 0.78 -0.21 0.00 0.00 178.00 178.89 3a12 h GLY 103 N 0.72 0.66 0.92 -0.55 0.00 -1.89 -2.11 103.07 100.82 3a12 h GLY 103 Ca 0.45 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 3a12 h GLY 103 CO -0.32 0.45 -0.01 -2.00 0.00 0.00 0.00 176.54 174.66 3a12 h LEU 104 N 0.56 0.63 -1.85 3.11 5.85 -0.62 -2.94 115.31 120.04 3a12 h LEU 104 Ca 0.10 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3a12 h LEU 104 Cb 0.56 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3a12 h LEU 104 CO 0.04 0.79 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.82 3a12 h LEU 105 N 0.44 0.04 -1.76 2.25 3.38 -0.98 -0.92 115.31 117.76 3a12 h LEU 105 Ca 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3a12 h LEU 105 Cb 0.48 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3a12 h LEU 105 CO 0.02 0.09 -0.16 0.00 0.09 0.00 0.00 178.44 178.48 3a12 h ALA 106 N 1.92 1.34 0.00 1.53 0.00 -1.20 -0.96 119.26 121.90 3a12 h ALA 106 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3a12 h ALA 106 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3a12 h ALA 106 CO 0.00 0.20 -0.37 0.77 0.00 0.00 0.00 179.25 179.86 3a12 h SER 107 N 0.00 0.00 -0.13 0.00 0.02 -1.19 -3.27 113.55 108.98 3a12 h SER 107 Ca -0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3a12 h SER 107 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3a12 h SER 107 CO 0.02 0.80 0.00 2.30 -1.14 0.00 0.00 176.83 178.81 3a12 n ILE 108 N -4.65 0.16 -2.41 3.27 -6.64 -0.79 -3.97 119.36 104.33 3a12 n ILE 108 Ca -0.09 -0.33 -0.02 0.00 -1.77 0.00 0.00 62.75 60.54 3a12 n ILE 108 Cb 0.26 0.43 0.02 0.00 -1.44 0.00 0.00 39.64 38.91 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 0.32 3.04 -2.23 -1.28 0.00 -0.37 -5.00 120.51 114.99 3a12 n ALA 109 Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3a12 n ALA 109 Cb 0.35 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.32 0.72 0.34 0.00 0.00 -1.17 -4.82 105.19 99.94 3a12 n GLY 110 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.64 1.61 2.35 -1.87 -3.10 115.58 113.93 3a12 h ASN 111 Ca 0.00 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 3a12 h ASN 111 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3a12 h ASN 111 CO 0.00 0.00 0.46 0.16 -1.65 0.00 0.00 177.43 176.40 3a12 h ILE 112 N 0.00 0.69 0.00 2.81 3.07 -1.88 0.12 117.51 122.33 3a12 h ILE 112 Ca 0.13 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.53 3a12 h ILE 112 Cb 0.60 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 3a12 h ILE 112 CO -0.00 0.01 0.00 0.49 -1.05 0.00 0.00 178.15 177.60 3a12 n PHE 113 N -4.36 0.59 0.52 0.16 3.72 -1.17 -2.76 117.46 114.16 3a12 n PHE 113 Ca 0.12 0.26 0.06 0.00 -0.05 0.00 0.00 57.45 57.84 3a12 n PHE 113 Cb 0.69 -0.91 0.05 0.00 -0.94 0.00 0.00 39.48 38.37 3a12 n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a12 n GLY 114 N -0.48 -0.20 3.74 1.37 0.00 0.03 -4.86 105.19 104.79 3a12 n GLY 114 Ca 0.01 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.05 4.21 0.56 1.61 -1.94 -1.11 -4.89 119.30 116.69 3a12 s MET 115 Ca 0.15 2.41 0.33 0.00 -1.71 0.00 0.00 55.69 56.87 3a12 s MET 115 Cb 0.10 -3.08 1.63 0.00 2.01 0.00 0.00 34.83 35.50 3a12 s MET 115 CO 0.16 -0.52 2.11 0.87 -0.01 0.00 0.00 175.02 177.63 3a12 h LYS 116 N 5.13 0.00 0.00 2.03 1.57 -1.95 -2.76 116.57 120.59 3a12 h LYS 116 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3a12 h LYS 116 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3a12 h LYS 116 CO 0.80 0.06 0.00 -0.09 -0.57 0.00 0.00 179.45 179.65 3a12 h ARG 117 N 0.00 0.00 -6.05 3.15 2.43 -1.97 -3.42 114.38 108.52 3a12 h ARG 117 Ca -0.00 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 3a12 h ARG 117 Cb 0.33 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.62 3a12 h ARG 117 CO 0.01 0.00 -0.80 0.14 -1.51 0.00 0.00 179.97 177.81 3a12 s VAL 118 N -3.66 2.79 0.06 0.20 -7.23 -1.04 -1.26 120.40 110.26 3a12 s VAL 118 Ca 0.01 -0.81 0.09 0.00 -1.81 0.00 0.00 61.98 59.47 3a12 s VAL 118 Cb 0.09 -2.09 -0.20 0.00 0.56 0.00 0.00 36.38 34.74 3a12 s VAL 118 CO 0.53 0.57 1.11 0.50 -0.31 0.00 0.00 175.10 177.50 3a12 h LYS 119 N 5.81 0.00 -2.57 4.82 3.64 0.91 -3.43 116.57 125.74 3a12 h LYS 119 Ca -0.38 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 3a12 h LYS 119 Cb 1.17 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.77 3a12 h LYS 119 CO 0.51 0.82 -0.13 0.20 -2.27 0.00 0.00 179.45 178.58 3a12 s GLY 120 N -4.81 -0.35 -0.10 5.01 0.00 -1.03 -4.99 107.32 101.05 3a12 s GLY 120 Ca -0.00 1.19 -0.03 0.00 0.00 0.00 0.00 44.72 45.87 3a12 s GLY 120 CO 0.82 0.97 0.15 -2.27 0.00 0.00 0.00 173.10 172.77 3a12 s LEU 121 N -0.20 -0.02 -0.11 0.66 2.96 -1.00 -1.00 118.68 119.98 3a12 s LEU 121 Ca -0.04 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3a12 s LEU 121 Cb -0.03 0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.86 3a12 s LEU 121 CO 0.02 -0.26 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.00 3a12 s ARG 122 N 2.27 2.59 -0.44 1.98 3.52 -0.46 -1.37 118.95 127.05 3a12 s ARG 122 Ca 0.04 -0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 54.65 3a12 s ARG 122 Cb -0.13 -2.08 0.03 0.00 -1.56 0.00 0.00 34.95 31.21 3a12 s ARG 122 CO -0.06 0.03 1.05 -1.17 -0.81 0.00 0.00 175.30 174.34 3a12 s LEU 123 N 0.71 3.81 -0.10 -0.88 2.96 0.09 -0.16 118.68 125.12 3a12 s LEU 123 Ca -0.11 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 3a12 s LEU 123 Cb -0.16 -3.43 -0.24 0.00 0.50 0.00 0.00 46.19 42.86 3a12 s LEU 123 CO 0.02 -1.11 0.45 -0.62 -1.32 0.00 0.00 176.35 173.78 3a12 n GLU 124 N 7.42 0.67 -3.45 1.98 -0.58 0.17 -1.12 120.64 125.74 3a12 n GLU 124 Ca 0.10 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.95 3a12 n GLU 124 Cb 0.48 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3a12 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a12 s ASP 125 N -6.29 -0.57 -0.14 1.62 2.15 -1.12 -4.44 116.67 107.88 3a12 s ASP 125 Ca -0.12 0.14 -0.02 0.00 0.43 0.00 0.00 52.55 52.98 3a12 s ASP 125 Cb 0.07 0.57 0.04 0.00 -0.30 0.00 0.00 42.92 43.31 3a12 s ASP 125 CO 0.80 -0.87 -0.00 -0.76 -0.17 0.00 0.00 175.17 174.16 3a12 s LEU 126 N -2.42 1.06 -0.14 -1.34 1.43 -1.26 -1.31 118.68 114.70 3a12 s LEU 126 Ca -0.01 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 3a12 s LEU 126 Cb -0.01 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 3a12 s LEU 126 CO -0.08 -0.23 0.55 -0.47 0.23 0.00 0.00 176.35 176.34 3a12 s TYR 127 N 1.84 3.47 -0.22 0.29 5.04 0.58 -4.95 117.35 123.40 3a12 s TYR 127 Ca 0.02 0.92 -0.05 0.00 -2.44 0.00 0.00 57.07 55.52 3a12 s TYR 127 Cb -0.15 -2.66 -0.02 0.00 0.35 0.00 0.00 41.96 39.48 3a12 s TYR 127 CO -0.07 0.04 0.00 -0.06 -1.34 0.00 0.00 175.55 174.12 3a12 s PHE 128 N 1.10 3.02 0.90 4.97 0.40 -1.26 -2.41 117.98 124.70 3a12 s PHE 128 Ca 0.28 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 3a12 s PHE 128 Cb -0.16 -2.12 0.13 0.00 0.51 0.00 0.00 43.02 41.39 3a12 s PHE 128 CO 0.11 -0.35 1.12 -1.25 0.70 0.00 0.00 175.22 175.55 3a12 s PRO 129 N 1.26 1.18 0.31 0.24 0.04 -1.26 -4.66 135.00 132.10 3a12 s PRO 129 Ca 0.04 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.46 3a12 s PRO 129 Cb -0.15 -1.76 0.75 0.00 0.04 0.00 0.00 34.50 33.38 3a12 s PRO 129 CO 0.01 -2.44 1.78 1.49 0.04 0.00 0.00 177.00 177.87 3a12 h GLU 130 N -1.72 0.73 -0.63 4.56 4.81 -1.82 -0.38 114.58 120.13 3a12 h GLU 130 Ca -0.45 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 58.86 3a12 h GLU 130 Cb 1.27 -0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 3a12 h GLU 130 CO 0.46 0.48 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.99 3a12 h LYS 131 N 0.75 0.10 -0.00 1.92 1.63 -1.91 -1.04 116.57 118.02 3a12 h LYS 131 Ca 0.58 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 60.18 3a12 h LYS 131 Cb 0.92 -0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.54 3a12 h LYS 131 CO -0.38 0.07 -0.77 -0.07 -3.45 0.00 0.00 179.45 174.85 3a12 h LEU 132 N 0.10 0.68 -0.93 5.20 4.07 -1.44 -3.11 115.31 119.88 3a12 h LEU 132 Ca 0.33 -0.75 0.20 0.00 0.08 0.00 0.00 57.88 57.73 3a12 h LEU 132 Cb 0.53 -0.21 -0.11 0.00 1.08 0.00 0.00 40.66 41.95 3a12 h LEU 132 CO -0.55 1.34 0.49 0.40 -1.08 0.00 0.00 178.44 179.04 3a12 h ILE 133 N 0.08 0.61 0.00 1.22 1.08 -0.99 -0.21 117.51 119.30 3a12 h ILE 133 Ca -0.10 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3a12 h ILE 133 Cb 1.46 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3a12 h ILE 133 CO 0.15 0.11 0.00 0.54 -0.69 0.00 0.00 178.15 178.26 3a12 n ARG 134 N -4.91 0.50 0.00 2.37 1.74 -0.42 -1.88 116.66 114.05 3a12 n ARG 134 Ca 0.22 0.03 0.15 0.00 -0.77 0.00 0.00 57.85 57.48 3a12 n ARG 134 Cb 0.59 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 31.30 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 -1.21 0.94 -4.29 5.56 1.02 -0.09 -4.85 120.64 117.72 3a12 n GLU 135 Ca 0.14 -0.22 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 3a12 n GLU 135 Cb 0.18 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.21 2.68 -0.13 -0.32 0.08 -0.79 -4.90 117.98 112.39 3a12 s PHE 136 Ca 0.39 -0.21 0.19 0.00 0.12 0.00 0.00 56.93 57.42 3a12 s PHE 136 Cb 0.21 -1.26 -0.28 0.00 -0.57 0.00 0.00 43.02 41.13 3a12 s PHE 136 CO 0.41 0.56 0.27 -0.25 -0.10 0.00 0.00 175.22 176.11 3a12 n ASP 137 N -0.35 0.05 -0.71 1.36 8.00 -1.25 -5.00 116.55 118.65 3a12 n ASP 137 Ca -0.09 0.02 0.02 0.00 0.71 0.00 0.00 54.79 55.46 3a12 n ASP 137 Cb 0.57 1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 42.99 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 1.54 -1.46 3.78 0.44 0.00 0.11 -4.72 105.19 104.88 3a12 n GLY 138 Ca -0.21 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.33 4.16 0.12 1.61 0.02 -1.24 -4.19 135.00 135.14 3a12 s PRO 139 Ca 0.00 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.55 3a12 s PRO 139 Cb 0.00 -2.99 -0.19 0.00 0.02 0.00 0.00 34.50 31.34 3a12 s PRO 139 CO 0.00 -0.46 1.26 0.00 -0.33 0.00 0.00 177.00 177.47 3a12 h ALA 140 N 3.14 0.32 0.00 -1.55 0.00 -1.88 -3.40 119.26 115.89 3a12 h ALA 140 Ca -0.50 -0.87 -0.21 0.00 0.00 0.00 0.00 54.91 53.32 3a12 h ALA 140 Cb 1.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3a12 h ALA 140 CO 0.65 1.12 -1.62 1.19 0.00 0.00 0.00 179.25 180.60 3a12 n PHE 141 N -3.45 0.00 -2.09 0.00 3.72 -1.26 -4.94 117.46 109.44 3a12 n PHE 141 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.43 3a12 n PHE 141 Cb 0.94 -0.61 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3a12 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a12 n GLY 142 N 1.77 -1.90 0.26 1.37 0.00 -1.26 -1.13 105.19 104.30 3a12 n GLY 142 Ca -0.29 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.40 0.85 -0.28 -0.61 2.04 -1.07 -1.77 117.51 116.27 3a12 h ILE 143 Ca 0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3a12 h ILE 143 Cb 0.39 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3a12 h ILE 143 CO 0.00 0.10 0.12 -0.08 0.00 0.00 0.00 178.15 178.29 3a12 h GLU 144 N 0.57 0.41 -0.58 2.37 4.81 -1.84 -1.02 114.58 119.31 3a12 h GLU 144 Ca 0.34 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3a12 h GLU 144 Cb 0.35 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3a12 h GLU 144 CO -0.27 0.43 0.08 0.78 -0.73 0.00 0.00 179.01 179.30 3a12 h GLY 145 N 0.30 1.04 1.06 1.92 0.00 -0.90 -1.63 103.07 104.86 3a12 h GLY 145 Ca 0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 3a12 h GLY 145 CO -0.01 0.65 0.01 -2.08 0.00 0.00 0.00 176.54 175.12 3a12 h VAL 146 N 0.86 1.26 -0.74 4.60 2.07 -1.25 0.22 116.25 123.28 3a12 h VAL 146 Ca 0.17 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3a12 h VAL 146 Cb 0.44 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3a12 h VAL 146 CO 0.01 0.40 0.28 0.03 0.02 0.00 0.00 177.57 178.32 3a12 h ARG 147 N 0.89 1.11 -0.06 1.57 3.08 -1.07 -0.93 114.38 118.98 3a12 h ARG 147 Ca 0.16 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3a12 h ARG 147 Cb 0.53 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3a12 h ARG 147 CO 0.03 0.91 0.01 0.87 -1.07 0.00 0.00 179.97 180.72 3a12 h LYS 148 N 1.08 0.09 -0.74 0.04 1.79 -1.13 0.41 116.57 118.11 3a12 h LYS 148 Ca 0.25 -0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.85 3a12 h LYS 148 Cb 0.23 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.76 3a12 h LYS 148 CO -0.02 0.31 0.21 1.98 -1.08 0.00 0.00 179.45 180.86 3a12 h MET 149 N -0.14 0.30 0.00 3.15 1.85 -0.68 -2.48 114.93 116.93 3a12 h MET 149 Ca 0.02 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3a12 h MET 149 Cb 0.26 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.22 3a12 h MET 149 CO 0.00 0.20 -0.81 1.28 -0.40 0.00 0.00 176.91 177.18 3a12 n LEU 150 N -5.12 0.79 -3.47 3.39 4.77 -0.38 -4.92 117.00 112.06 3a12 n LEU 150 Ca 0.14 -0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 3a12 n LEU 150 Cb 0.45 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3a12 n LEU 150 CO 0.14 0.19 0.13 -0.62 -1.33 0.00 0.00 177.39 175.90 3a12 n GLU 151 N -1.52 -6.79 -3.90 3.23 1.02 0.14 -4.29 120.64 108.53 3a12 n GLU 151 Ca 0.04 0.84 -0.30 0.00 -0.02 0.00 0.00 57.16 57.72 3a12 n GLU 151 Cb 0.34 -5.84 -0.15 0.00 -0.02 0.00 0.00 31.44 25.76 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 -3.37 1.53 0.05 -3.67 1.01 -0.89 -4.98 121.20 110.89 3a12 s ILE 152 Ca 0.11 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.05 3a12 s ILE 152 Cb -0.05 -1.98 -0.22 0.00 0.01 0.00 0.00 42.46 40.22 3a12 s ILE 152 CO 0.73 -0.39 1.16 0.50 0.00 0.00 0.00 174.94 176.95 3a12 h LYS 153 N 7.91 0.58 0.00 2.79 3.64 -1.94 -3.44 116.57 126.11 3a12 h LYS 153 Ca -0.13 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 3a12 h LYS 153 Cb 1.04 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3a12 h LYS 153 CO 0.45 1.22 -0.51 -0.25 -2.27 0.00 0.00 179.45 178.09 3a12 n ASP 154 N -4.03 1.09 -4.78 4.20 8.00 -1.26 -5.10 116.55 114.67 3a12 n ASP 154 Ca -0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 3a12 n ASP 154 Cb 0.77 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.96 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 -1.74 2.08 0.57 -1.24 1.70 -1.26 -4.63 118.95 114.44 3a12 s ARG 155 Ca 0.00 0.79 -0.20 0.00 -0.47 0.00 0.00 55.73 55.85 3a12 s ARG 155 Cb 0.00 -1.91 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 3a12 s ARG 155 CO 0.00 -1.66 1.20 -2.30 -1.08 0.00 0.00 175.30 171.46 3a12 n PRO 156 N -3.48 1.31 -2.70 3.89 -0.02 -1.15 -4.86 135.00 127.98 3a12 n PRO 156 Ca 0.07 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 3a12 n PRO 156 Cb 0.55 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.37 4.05 -0.04 4.25 -1.09 -0.82 -4.93 121.20 121.24 3a12 s ILE 157 Ca 0.74 1.67 0.01 0.00 -2.23 0.00 0.00 60.65 60.85 3a12 s ILE 157 Cb -0.42 -3.92 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 3a12 s ILE 157 CO 0.47 0.11 -0.06 -0.47 -1.23 0.00 0.00 174.94 173.76 3a12 s TYR 158 N -1.61 0.86 0.25 3.97 5.04 -1.26 -0.06 117.35 124.54 3a12 s TYR 158 Ca 0.52 -0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 54.80 3a12 s TYR 158 Cb -0.20 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 3a12 s TYR 158 CO 0.26 -0.18 0.43 0.20 -1.34 0.00 0.00 175.55 174.91 3a12 s GLY 159 N 0.72 0.76 -0.04 8.97 0.00 -0.63 -0.03 107.32 117.07 3a12 s GLY 159 Ca -0.11 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.57 3a12 s GLY 159 CO 0.01 -0.78 -0.08 0.14 0.00 0.00 0.00 173.10 172.39 3a12 s VAL 160 N -3.93 0.79 -0.28 1.40 1.01 -0.44 -1.70 120.40 117.26 3a12 s VAL 160 Ca 0.26 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3a12 s VAL 160 Cb 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 3a12 s VAL 160 CO 0.11 0.27 0.19 -0.69 0.00 0.00 0.00 175.10 174.97 3a12 s VAL 161 N 0.53 5.31 0.36 2.92 1.01 -1.26 -4.34 120.40 124.93 3a12 s VAL 161 Ca -0.09 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 3a12 s VAL 161 Cb -0.12 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 3a12 s VAL 161 CO 0.01 0.26 1.45 -2.65 0.00 0.00 0.00 175.10 174.18 3a12 n PRO 162 N 4.97 2.55 -4.94 2.72 -0.02 -1.26 -4.46 135.00 134.56 3a12 n PRO 162 Ca -0.14 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 61.97 3a12 n PRO 162 Cb 0.52 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.25 3a12 n PRO 162 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a12 s LYS 163 N -1.89 1.57 0.70 -0.52 -0.14 -1.26 -4.03 119.74 114.16 3a12 s LYS 163 Ca 0.55 -0.70 -0.17 0.00 -1.36 0.00 0.00 55.97 54.29 3a12 s LYS 163 Cb -0.50 -1.52 0.02 0.00 -1.68 0.00 0.00 37.83 34.15 3a12 s LYS 163 CO 0.62 0.42 1.27 -1.25 -0.76 0.00 0.00 175.35 175.65 3a12 s PRO 164 N -0.47 2.26 0.19 -1.68 0.04 -1.26 -5.05 135.00 129.03 3a12 s PRO 164 Ca 0.07 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 3a12 s PRO 164 Cb -0.07 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.83 3a12 s PRO 164 CO -0.01 -1.80 1.66 0.87 0.04 0.00 0.00 177.00 177.76 3a12 h LYS 165 N 0.09 0.04 -4.72 4.56 1.57 -1.97 -3.43 116.57 112.72 3a12 h LYS 165 Ca -0.49 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.01 3a12 h LYS 165 Cb 1.33 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 3a12 h LYS 165 CO 0.51 0.02 -0.65 0.14 -0.57 0.00 0.00 179.45 178.91 3a12 s VAL 166 N -6.20 0.47 0.00 0.50 -7.23 -1.26 -4.64 120.40 102.04 3a12 s VAL 166 Ca -0.14 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3a12 s VAL 166 Cb 0.17 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.87 3a12 s VAL 166 CO 0.72 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 3a12 n GLY 167 N -0.26 1.16 3.55 2.32 0.00 -1.26 -5.11 105.19 105.59 3a12 n GLY 167 Ca -0.04 0.00 -0.25 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 2.53 0.38 1.61 -0.85 -1.26 -5.08 117.35 112.68 3a12 s TYR 168 Ca 0.00 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 3a12 s TYR 168 Cb 0.00 -1.17 -0.02 0.00 0.38 0.00 0.00 41.96 41.15 3a12 s TYR 168 CO 0.00 0.59 0.58 -1.54 -1.52 0.00 0.00 175.55 173.65 3a12 s SER 169 N -3.20 6.03 0.36 -0.18 1.04 -1.26 -4.61 113.70 111.88 3a12 s SER 169 Ca 0.27 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.98 3a12 s SER 169 Cb -0.07 -1.65 0.68 0.00 0.10 0.00 0.00 66.02 65.08 3a12 s SER 169 CO 0.16 -0.48 1.99 -0.65 0.98 0.00 0.00 173.24 175.23 3a12 h PRO 170 N 0.65 0.79 -0.57 4.02 0.11 -1.96 -0.24 132.00 134.79 3a12 h PRO 170 Ca -0.48 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3a12 h PRO 170 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3a12 h PRO 170 CO 0.58 0.52 -0.00 0.93 -0.21 0.00 0.00 178.00 179.82 3a12 h GLU 171 N 0.81 1.01 -0.65 1.05 3.07 -1.94 -0.67 114.58 117.27 3a12 h GLU 171 Ca 0.27 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 3a12 h GLU 171 Cb 0.06 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 3a12 h GLU 171 CO -0.07 1.01 0.12 0.93 -1.40 0.00 0.00 179.01 179.59 3a12 h GLU 172 N 0.90 1.05 -0.71 2.33 5.08 -1.83 -2.93 114.58 118.46 3a12 h GLU 172 Ca 0.16 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3a12 h GLU 172 Cb 0.55 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3a12 h GLU 172 CO 0.03 0.95 0.33 0.35 -1.00 0.00 0.00 179.01 179.67 3a12 h PHE 173 N 0.99 1.02 -0.09 4.33 3.57 -0.79 -3.16 116.94 122.80 3a12 h PHE 173 Ca 0.20 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3a12 h PHE 173 Cb 0.40 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3a12 h PHE 173 CO 0.03 0.75 -0.12 1.49 -2.23 0.00 0.00 178.31 178.22 3a12 h GLU 174 N 1.01 -0.16 -0.72 1.11 4.81 -0.93 -0.03 114.58 119.68 3a12 h GLU 174 Ca 0.25 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3a12 h GLU 174 Cb 0.12 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3a12 h GLU 174 CO -0.03 -0.11 0.36 -0.22 -0.73 0.00 0.00 179.01 178.28 3a12 h LYS 175 N -0.16 1.02 -0.08 1.92 3.64 -1.63 -1.93 116.57 119.35 3a12 h LYS 175 Ca 0.07 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3a12 h LYS 175 Cb 0.27 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3a12 h LYS 175 CO -0.19 0.79 0.03 1.25 -2.27 0.00 0.00 179.45 179.06 3a12 h LEU 176 N 1.00 0.11 -0.85 5.20 5.85 -1.41 -2.04 115.31 123.16 3a12 h LEU 176 Ca 0.25 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3a12 h LEU 176 Cb 0.09 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3a12 h LEU 176 CO -0.03 0.25 0.54 0.00 -0.34 0.00 0.00 178.44 178.86 3a12 h ALA 177 N 0.86 1.14 -0.14 1.25 0.00 -0.93 0.80 119.26 122.23 3a12 h ALA 177 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 177 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a12 h ALA 177 CO -0.00 0.36 0.09 -0.92 0.00 0.00 0.00 179.25 178.78 3a12 h TYR 178 N 1.04 0.18 -0.51 0.00 3.20 -1.12 -0.76 116.97 119.00 3a12 h TYR 178 Ca 0.35 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.12 3a12 h TYR 178 Cb 0.05 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3a12 h TYR 178 CO -0.02 0.14 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.10 3a12 h ASP 179 N 0.17 0.92 -0.18 -2.11 3.32 -0.83 -1.21 116.42 116.52 3a12 h ASP 179 Ca 0.05 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 3a12 h ASP 179 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3a12 h ASP 179 CO -0.01 1.04 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.35 3a12 h LEU 180 N 0.84 0.42 -0.69 1.55 3.38 -0.73 -2.62 115.31 117.45 3a12 h LEU 180 Ca 0.14 -0.45 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 3a12 h LEU 180 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3a12 h LEU 180 CO 0.04 0.77 -0.38 -0.07 0.09 0.00 0.00 178.44 178.90 3a12 h LEU 181 N 0.06 0.61 -1.79 1.67 3.38 -1.13 -1.85 115.31 116.27 3a12 h LEU 181 Ca 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3a12 h LEU 181 Cb 0.64 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3a12 h LEU 181 CO 0.03 0.92 -0.14 0.28 0.09 0.00 0.00 178.44 179.63 3a12 h SER 182 N 0.48 0.00 -0.29 -0.43 0.02 -1.23 -3.25 113.55 108.86 3a12 h SER 182 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3a12 h SER 182 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 3a12 h SER 182 CO 0.07 0.14 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 3a12 n ASN 183 N -3.59 4.06 0.00 3.07 3.02 -0.98 -4.94 115.26 115.89 3a12 n ASN 183 Ca -0.01 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.52 3a12 n ASN 183 Cb 0.27 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.41 1.61 3.72 7.41 0.00 -1.17 -3.43 105.19 112.91 3a12 n GLY 184 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3a12 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 s ALA 185 N -1.93 3.44 -0.32 4.61 0.00 -0.73 -4.91 121.76 121.92 3a12 s ALA 185 Ca 0.00 0.92 0.21 0.00 0.00 0.00 0.00 51.96 53.09 3a12 s ALA 185 Cb 0.00 -3.46 0.31 0.00 0.00 0.00 0.00 23.12 19.97 3a12 s ALA 185 CO 0.00 -0.47 1.58 -0.44 0.00 0.00 0.00 175.76 176.43 3a12 h ASP 186 N 6.60 0.00 -5.01 0.00 3.32 -0.78 -3.40 116.42 117.16 3a12 h ASP 186 Ca -0.42 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 3a12 h ASP 186 Cb 1.21 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 3a12 h ASP 186 CO 0.82 0.15 0.14 -0.72 -1.72 0.00 0.00 179.24 177.91 3a12 s TYR 187 N -3.17 -0.53 0.00 4.55 -0.85 -1.20 -1.78 117.35 114.37 3a12 s TYR 187 Ca 0.06 0.61 0.00 0.00 -0.52 0.00 0.00 57.07 57.22 3a12 s TYR 187 Cb 0.06 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.84 3a12 s TYR 187 CO 0.69 -0.71 0.00 -1.33 -1.52 0.00 0.00 175.55 172.68 3a12 n MET 188 N 0.27 1.54 -5.10 -3.49 2.81 -1.07 -1.33 117.12 110.75 3a12 n MET 188 Ca -0.18 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.39 3a12 n MET 188 Cb 0.61 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.97 3a12 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a12 s ASP 190 N -0.94 3.51 0.77 7.83 1.01 -0.73 -0.03 116.67 128.10 3a12 s ASP 190 Ca 0.00 -0.36 -0.14 0.00 0.71 0.00 0.00 52.55 52.76 3a12 s ASP 190 Cb 0.00 -0.74 0.06 0.00 1.01 0.00 0.00 42.92 43.25 3a12 s ASP 190 CO 0.00 0.30 1.22 -0.67 0.21 0.00 0.00 175.17 176.24 3a12 n ASP 191 N 2.58 1.29 0.29 0.27 -0.08 -1.26 -4.82 116.55 114.82 3a12 n ASP 191 Ca -0.17 0.65 0.17 0.00 -1.51 0.00 0.00 54.79 53.93 3a12 n ASP 191 Cb 0.52 -1.52 0.90 0.00 2.34 0.00 0.00 41.12 43.36 3a12 n ASP 191 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3a12 h GLU 192 N -0.55 0.00 -0.03 -0.67 9.09 -2.00 -1.50 114.58 118.92 3a12 h GLU 192 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 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 0.48 0.04 -0.01 0.27 0.05 0.00 0.00 179.01 179.84 3a12 n ASN 193 N -3.37 2.83 -4.60 3.06 6.94 -1.26 -4.85 115.26 114.00 3a12 n ASN 193 Ca -0.02 -1.94 -0.42 0.00 -0.02 0.00 0.00 54.58 52.18 3a12 n ASN 193 Cb 0.18 0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 37.56 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 -2.01 4.12 0.00 -4.53 2.96 -0.56 -4.95 118.68 113.70 3a12 s LEU 194 Ca 0.29 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3a12 s LEU 194 Cb 0.20 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.86 3a12 s LEU 194 CO 0.31 -0.67 0.00 0.35 -1.32 0.00 0.00 176.35 175.02 3a12 n THR 195 N 5.68 0.00 -3.01 3.68 -2.24 -1.26 -4.73 114.28 112.39 3a12 n THR 195 Ca 0.03 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 3a12 n THR 195 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 3a12 n THR 195 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a12 n SER 196 N 0.00 2.19 -4.48 3.42 2.88 -1.26 -4.15 113.62 112.22 3a12 n SER 196 Ca 0.00 -3.21 -0.29 0.00 -1.33 0.00 0.00 58.87 54.04 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 -2.88 0.80 0.39 -1.46 0.04 -1.24 -4.75 135.00 125.90 3a12 s PRO 197 Ca 0.41 0.00 0.07 0.00 0.04 0.00 0.00 61.00 61.53 3a12 s PRO 197 Cb 0.35 -1.83 0.79 0.00 0.04 0.00 0.00 34.50 33.86 3a12 s PRO 197 CO -0.09 -2.37 1.99 0.11 0.04 0.00 0.00 177.00 176.68 3a12 h TRP 198 N -1.62 0.47 -0.00 0.56 5.08 -2.01 -2.03 115.95 116.40 3a12 h TRP 198 Ca -0.47 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3a12 h TRP 198 Cb 1.30 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 3a12 h TRP 198 CO -0.48 0.38 -0.09 2.48 -1.28 0.00 0.00 178.44 179.45 3a12 n TYR 199 N -4.40 0.00 -2.85 0.12 0.18 -1.26 -4.53 117.16 104.42 3a12 n TYR 199 Ca 0.02 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.78 3a12 n TYR 199 Cb 0.14 -0.33 0.01 0.00 -0.38 0.00 0.00 39.34 38.78 3a12 n TYR 199 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3a12 s ASN 200 N -2.74 -1.21 0.35 9.48 3.84 -0.77 -4.14 114.94 119.76 3a12 s ASN 200 Ca 0.22 -1.18 -0.26 0.00 0.21 0.00 0.00 52.86 51.84 3a12 s ASN 200 Cb 0.19 1.57 -0.09 0.00 -0.55 0.00 0.00 41.25 42.37 3a12 s ASN 200 CO 0.52 -0.07 1.06 -0.13 -2.79 0.00 0.00 177.10 175.68 3a12 s ARG 201 N 1.19 4.36 0.13 0.43 1.81 -1.19 -3.66 118.95 122.03 3a12 s ARG 201 Ca 0.25 1.60 -0.21 0.00 -1.72 0.00 0.00 55.73 55.65 3a12 s ARG 201 Cb 0.01 -2.79 -0.03 0.00 -0.45 0.00 0.00 34.95 31.69 3a12 s ARG 201 CO -0.07 0.01 1.69 0.35 -0.68 0.00 0.00 175.30 176.60 3a12 h PHE 202 N 3.02 -0.23 -0.43 -0.53 3.57 -1.86 -2.27 116.94 118.22 3a12 h PHE 202 Ca -0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 3a12 h PHE 202 Cb 1.21 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 3a12 h PHE 202 CO 0.58 -0.15 0.17 0.93 -2.23 0.00 0.00 178.31 177.62 3a12 h GLU 203 N -0.09 0.61 0.03 1.11 5.08 -1.95 0.49 114.58 119.87 3a12 h GLU 203 Ca 0.09 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3a12 h GLU 203 Cb 0.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3a12 h GLU 203 CO -0.21 0.51 -0.02 0.93 -1.00 0.00 0.00 179.01 179.22 3a12 h GLU 204 N 0.61 -0.04 0.00 2.33 5.08 -1.84 -0.29 114.58 120.42 3a12 h GLU 204 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3a12 h GLU 204 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3a12 h GLU 204 CO -0.01 0.35 -0.01 0.07 -1.00 0.00 0.00 179.01 178.41 3a12 h ARG 205 N -0.45 0.00 -0.07 2.33 0.11 -1.26 -1.61 114.38 113.44 3a12 h ARG 205 Ca -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3a12 h ARG 205 Cb 0.42 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.49 3a12 h ARG 205 CO 0.01 0.01 -0.02 0.00 0.10 0.00 0.00 179.97 180.06 3a12 h ALA 206 N 1.99 0.09 -0.82 0.08 0.00 -0.71 0.10 119.26 119.99 3a12 h ALA 206 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3a12 h ALA 206 Cb 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3a12 h ALA 206 CO 0.00 -0.18 0.49 0.93 0.00 0.00 0.00 179.25 180.49 3a12 h GLU 207 N -0.23 1.12 -0.44 0.00 4.39 -0.84 -1.41 114.58 117.17 3a12 h GLU 207 Ca 0.02 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 3a12 h GLU 207 Cb 0.44 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3a12 h GLU 207 CO 0.01 0.79 -0.08 0.82 -1.16 0.00 0.00 179.01 179.39 3a12 h ILE 208 N 1.13 1.27 -0.19 3.13 2.04 -1.21 -2.88 117.51 120.81 3a12 h ILE 208 Ca 0.29 -1.17 -0.14 0.00 1.00 0.00 0.00 64.86 64.85 3a12 h ILE 208 Cb -0.04 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3a12 h ILE 208 CO -0.05 0.40 -0.47 0.24 0.00 0.00 0.00 178.15 178.27 3a12 h MET 209 N 0.66 0.49 -0.56 2.37 2.86 -0.43 -1.41 114.93 118.89 3a12 h MET 209 Ca 0.11 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3a12 h MET 209 Cb 0.60 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3a12 h MET 209 CO 0.04 0.85 0.34 0.00 1.06 0.00 0.00 176.91 179.20 3a12 h ALA 210 N 1.10 0.72 -0.37 6.32 0.00 -1.28 0.13 119.26 125.88 3a12 h ALA 210 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 210 Cb 0.97 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3a12 h ALA 210 CO 0.09 0.20 0.15 1.57 0.00 0.00 0.00 179.25 181.25 3a12 h LYS 211 N 0.76 0.56 -0.25 0.00 2.10 -1.30 -2.54 116.57 115.89 3a12 h LYS 211 Ca 0.20 -0.10 -0.19 0.00 -2.00 0.00 0.00 60.65 58.56 3a12 h LYS 211 Cb -0.01 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 3a12 h LYS 211 CO -0.04 0.54 -0.57 0.82 -2.00 0.00 0.00 179.45 178.20 3a12 h ILE 212 N 0.46 1.28 0.12 0.07 2.04 -1.09 -2.06 117.51 118.33 3a12 h ILE 212 Ca 0.12 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.23 3a12 h ILE 212 Cb 0.19 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3a12 h ILE 212 CO -0.01 0.57 -0.22 0.40 0.00 0.00 0.00 178.15 178.89 3a12 h ILE 213 N 0.59 0.51 -0.93 -0.67 2.04 -1.00 -0.20 117.51 117.85 3a12 h ILE 213 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 3a12 h ILE 213 Cb 1.19 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.69 3a12 h ILE 213 CO 0.13 0.00 0.54 0.44 0.00 0.00 0.00 178.15 179.26 3a12 h ASP 214 N -0.41 0.71 -0.11 1.72 3.32 -1.38 -1.15 116.42 119.12 3a12 h ASP 214 Ca 0.03 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3a12 h ASP 214 Cb 0.43 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3a12 h ASP 214 CO -0.12 0.30 -0.10 0.50 -1.72 0.00 0.00 179.24 178.11 3a12 h LYS 215 N 0.76 0.25 -0.50 3.56 3.64 -0.85 -1.82 116.57 121.61 3a12 h LYS 215 Ca 0.51 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 3a12 h LYS 215 Cb 0.69 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3a12 h LYS 215 CO -0.34 0.66 -0.11 0.28 -2.27 0.00 0.00 179.45 177.67 3a12 h VAL 216 N -0.15 1.26 -0.37 2.00 2.07 -0.82 -0.60 116.25 119.64 3a12 h VAL 216 Ca 0.02 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3a12 h VAL 216 Cb 0.61 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3a12 h VAL 216 CO 0.02 0.43 0.11 -0.33 0.02 0.00 0.00 177.57 177.82 3a12 h GLU 217 N 0.83 0.59 -0.91 1.57 5.08 -1.23 0.17 114.58 120.67 3a12 h GLU 217 Ca 0.13 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3a12 h GLU 217 Cb 0.64 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3a12 h GLU 217 CO 0.04 0.60 0.59 -0.97 -1.00 0.00 0.00 179.01 178.28 3a12 h ASN 218 N 0.46 1.06 1.23 1.42 -0.73 -1.14 0.17 115.58 118.05 3a12 h ASN 218 Ca 0.12 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 58.09 3a12 h ASN 218 Cb 0.27 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3a12 h ASN 218 CO -0.00 0.78 -0.77 -0.33 -0.37 0.00 0.00 177.43 176.73 3a12 h GLU 219 N 1.24 0.00 0.00 6.67 5.08 -0.75 -3.37 114.58 123.44 3a12 h GLU 219 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3a12 h GLU 219 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3a12 h GLU 219 CO -0.07 0.73 -1.38 0.25 -1.00 0.00 0.00 179.01 177.55 3a12 n THR 220 N -3.27 0.00 -0.87 1.13 -2.24 0.56 -4.98 114.28 104.61 3a12 n THR 220 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3a12 n THR 220 Cb 0.84 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 2.00 0.57 3.86 3.38 0.00 0.59 -5.01 105.19 110.58 3a12 n GLY 221 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3a12 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a12 s GLU 222 N -0.43 3.78 0.22 1.61 2.02 -1.26 -5.05 118.70 119.59 3a12 s GLU 222 Ca 0.00 0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.92 3a12 s GLU 222 Cb 0.00 -3.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 3a12 s GLU 222 CO 0.00 0.64 0.92 0.15 0.02 0.00 0.00 175.26 176.98 3a12 s LYS 223 N -1.51 4.80 0.17 1.61 -0.14 -1.26 -4.16 119.74 119.25 3a12 s LYS 223 Ca 0.27 1.43 0.06 0.00 -1.36 0.00 0.00 55.97 56.38 3a12 s LYS 223 Cb -0.15 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 3a12 s LYS 223 CO 0.15 0.50 -0.12 0.15 -0.76 0.00 0.00 175.35 175.26 3a12 s LYS 224 N -1.06 1.17 0.36 1.68 -0.14 -1.26 -4.90 119.74 115.58 3a12 s LYS 224 Ca 0.41 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.54 3a12 s LYS 224 Cb -0.25 -0.86 -0.00 0.00 -1.68 0.00 0.00 37.83 35.04 3a12 s LYS 224 CO 0.31 0.13 0.45 -0.08 -0.76 0.00 0.00 175.35 175.40 3a12 s THR 225 N -3.06 0.00 -0.10 2.17 -1.32 -0.74 -5.02 115.64 107.58 3a12 s THR 225 Ca 0.18 -1.69 -0.04 0.00 -1.21 0.00 0.00 61.69 58.93 3a12 s THR 225 Cb 0.00 -2.65 0.05 0.00 -1.51 0.00 0.00 72.50 68.39 3a12 s THR 225 CO 0.03 0.00 0.20 0.86 -2.21 0.00 0.00 174.62 173.50 3a12 s TRP 226 N -3.00 -0.27 -0.86 9.09 -0.00 -1.26 -2.60 118.94 120.04 3a12 s TRP 226 Ca 0.33 0.73 -0.21 0.00 -0.00 0.00 0.00 56.10 56.95 3a12 s TRP 226 Cb -0.00 -0.14 0.09 0.00 -0.00 0.00 0.00 33.47 33.43 3a12 s TRP 226 CO 0.24 -0.28 1.15 -0.06 -0.00 0.00 0.00 176.95 178.00 3a12 s PHE 227 N 2.10 2.84 -0.33 5.86 0.08 0.95 -4.27 117.98 125.21 3a12 s PHE 227 Ca -0.00 -0.98 -0.25 0.00 0.12 0.00 0.00 56.93 55.81 3a12 s PHE 227 Cb -0.12 -4.38 0.01 0.00 -0.57 0.00 0.00 43.02 37.96 3a12 s PHE 227 CO -0.07 -1.65 0.89 0.00 -0.10 0.00 0.00 175.22 174.29 3a12 s ALA 228 N 3.67 3.48 -0.57 5.36 0.00 -1.26 -1.77 121.76 130.67 3a12 s ALA 228 Ca 0.32 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.65 3a12 s ALA 228 Cb -0.07 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.59 3a12 s ALA 228 CO -0.03 -1.41 1.52 1.21 0.00 0.00 0.00 175.76 177.05 3a12 s ASN 229 N 1.72 5.94 0.00 0.00 2.47 -1.26 -0.00 114.94 123.81 3a12 s ASN 229 Ca 0.37 0.30 0.27 0.00 0.42 0.00 0.00 52.86 54.22 3a12 s ASN 229 Cb -0.13 -2.54 0.86 0.00 -1.45 0.00 0.00 41.25 37.99 3a12 s ASN 229 CO 0.15 -1.86 1.63 2.30 -3.72 0.00 0.00 177.10 175.61 3a12 n ILE 230 N 6.92 0.00 -1.68 -5.21 -5.35 -0.51 -4.78 119.36 108.74 3a12 n ILE 230 Ca 0.14 -0.19 -0.57 0.00 -0.27 0.00 0.00 62.75 61.85 3a12 n ILE 230 Cb 0.50 0.48 -0.07 0.00 -1.74 0.00 0.00 39.64 38.81 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 -0.22 0.21 -3.92 7.28 -1.04 -1.26 -4.32 114.28 111.01 3a12 n THR 231 Ca 0.15 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.14 3a12 n THR 231 Cb 0.36 -1.03 0.01 0.00 -1.82 0.00 0.00 70.33 67.85 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 4.54 -2.14 -0.84 2.41 0.00 -1.26 -4.88 120.51 118.35 3a12 n ALA 232 Ca 0.25 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 3a12 n ALA 232 Cb 0.12 0.12 0.16 0.00 0.00 0.00 0.00 19.45 19.85 3a12 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a12 s ASP 233 N -2.70 3.08 0.15 0.00 1.01 -1.26 -4.68 116.67 112.26 3a12 s ASP 233 Ca 0.18 1.99 -0.24 0.00 0.71 0.00 0.00 52.55 55.19 3a12 s ASP 233 Cb -0.01 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3a12 s ASP 233 CO 0.00 -2.97 1.61 0.25 0.21 0.00 0.00 175.17 174.27 3a12 h LEU 234 N -1.78 -1.00 -0.99 1.23 7.12 -1.99 -1.17 115.31 116.74 3a12 h LEU 234 Ca -0.46 0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.72 3a12 h LEU 234 Cb 1.27 0.44 -0.05 0.00 -0.53 0.00 0.00 40.66 41.80 3a12 h LEU 234 CO 0.45 -0.33 0.61 -0.07 -0.13 0.00 0.00 178.44 178.97 3a12 h LEU 235 N -0.33 1.14 -0.83 2.25 3.38 -2.00 -1.34 115.31 117.58 3a12 h LEU 235 Ca 0.13 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3a12 h LEU 235 Cb 0.53 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3a12 h LEU 235 CO -0.42 0.85 -0.10 -0.33 0.09 0.00 0.00 178.44 178.54 3a12 h GLU 236 N 1.33 0.77 -0.83 1.13 3.07 -1.74 -2.16 114.58 116.14 3a12 h GLU 236 Ca 0.35 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3a12 h GLU 236 Cb -0.10 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.70 3a12 h GLU 236 CO -0.07 0.84 0.43 0.52 -1.40 0.00 0.00 179.01 179.33 3a12 h MET 237 N 0.70 1.17 -0.30 2.33 2.86 -0.43 -1.59 114.93 119.68 3a12 h MET 237 Ca 0.12 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3a12 h MET 237 Cb 0.57 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3a12 h MET 237 CO 0.04 0.88 0.19 0.93 1.06 0.00 0.00 176.91 180.00 3a12 h GLU 238 N 1.17 0.40 -0.60 1.72 5.08 -0.91 -1.05 114.58 120.39 3a12 h GLU 238 Ca 0.29 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3a12 h GLU 238 Cb 0.07 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3a12 h GLU 238 CO -0.04 0.28 0.33 1.96 -1.00 0.00 0.00 179.01 180.54 3a12 h GLN 239 N 0.39 0.83 -0.45 2.33 4.20 -1.16 -1.48 115.11 119.77 3a12 h GLN 239 Ca 0.11 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 3a12 h GLN 239 Cb -0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3a12 h GLN 239 CO -0.02 0.63 -0.02 0.00 -0.67 0.00 0.00 178.83 178.75 3a12 h ARG 240 N 0.81 0.81 -0.67 1.46 3.08 -1.13 0.30 114.38 119.04 3a12 h ARG 240 Ca 0.21 -0.27 0.12 0.00 0.07 0.00 0.00 59.98 60.12 3a12 h ARG 240 Cb 0.04 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 29.93 3a12 h ARG 240 CO -0.03 0.88 0.21 -0.07 -1.07 0.00 0.00 179.97 179.89 3a12 h LEU 241 N 0.66 0.14 -0.70 3.04 4.07 -1.01 -1.64 115.31 119.87 3a12 h LEU 241 Ca 0.13 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 3a12 h LEU 241 Cb 0.53 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 3a12 h LEU 241 CO 0.03 0.06 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.35 3a12 h GLU 242 N 0.35 0.98 -0.85 1.13 4.81 -0.46 -1.20 114.58 119.35 3a12 h GLU 242 Ca 0.36 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3a12 h GLU 242 Cb 0.53 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3a12 h GLU 242 CO -0.40 0.98 0.55 0.28 -0.73 0.00 0.00 179.01 179.70 3a12 h VAL 243 N 0.90 1.16 -0.06 0.32 2.07 -0.49 -0.05 116.25 120.09 3a12 h VAL 243 Ca 0.16 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3a12 h VAL 243 Cb 0.55 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3a12 h VAL 243 CO 0.03 0.20 0.02 -0.07 0.02 0.00 0.00 177.57 177.77 3a12 h LEU 244 N 1.09 0.09 -0.51 2.57 3.38 -0.83 -2.22 115.31 118.87 3a12 h LEU 244 Ca 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3a12 h LEU 244 Cb -0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3a12 h LEU 244 CO -0.10 0.25 0.28 0.00 0.09 0.00 0.00 178.44 178.96 3a12 h ALA 245 N 0.84 0.66 -0.71 1.53 0.00 -1.06 -1.87 119.26 118.64 3a12 h ALA 245 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 245 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3a12 h ALA 245 CO -0.00 0.18 0.47 -0.44 0.00 0.00 0.00 179.25 179.45 3a12 h ASP 246 N 0.68 0.63 0.16 0.00 3.32 -0.91 -1.69 116.42 118.61 3a12 h ASP 246 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a12 h ASP 246 Cb 0.05 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3a12 h ASP 246 CO -0.03 0.40 -0.07 0.18 -1.72 0.00 0.00 179.24 178.00 3a12 n LEU 247 N -4.48 0.75 -0.49 1.55 4.77 -0.85 -4.91 117.00 113.34 3a12 n LEU 247 Ca 0.11 -0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 55.84 3a12 n LEU 247 Cb 0.25 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3a12 n LEU 247 CO 0.34 0.13 -0.06 0.61 -1.33 0.00 0.00 177.39 177.08 3a12 n GLY 248 N 1.20 0.77 3.82 -0.72 0.00 -0.63 -4.95 105.19 104.67 3a12 n GLY 248 Ca 0.18 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3a12 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 249 N -1.42 2.42 -0.00 0.99 1.43 -0.74 -5.02 118.68 116.33 3a12 s LEU 249 Ca 0.00 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 3a12 s LEU 249 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 3a12 s LEU 249 CO 0.00 -2.09 0.04 0.29 0.23 0.00 0.00 176.35 174.83 3a12 n LYS 250 N -3.48 1.21 -4.63 1.70 5.02 -1.26 -4.70 118.16 112.02 3a12 n LYS 250 Ca 0.07 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 3a12 n LYS 250 Cb 0.58 -0.96 -0.14 0.00 -0.02 0.00 0.00 35.03 34.49 3a12 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a12 s HIS 251 N -1.95 1.83 -0.09 2.13 3.76 -1.26 -0.85 115.29 118.87 3a12 s HIS 251 Ca -0.00 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 3a12 s HIS 251 Cb 0.01 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.63 3a12 s HIS 251 CO 0.07 0.10 -0.15 0.00 -0.85 0.00 0.00 174.74 173.91 3a12 s ALA 252 N -0.82 1.57 -0.16 -1.40 0.00 0.88 -4.02 121.76 117.81 3a12 s ALA 252 Ca 0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 3a12 s ALA 252 Cb -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3a12 s ALA 252 CO 0.02 0.08 0.18 1.41 0.00 0.00 0.00 175.76 177.45 3a12 s MET 253 N 0.71 3.95 -0.03 0.00 1.75 1.00 -0.34 119.30 126.34 3a12 s MET 253 Ca -0.13 -0.10 0.04 0.00 -1.25 0.00 0.00 55.69 54.25 3a12 s MET 253 Cb -0.16 -3.34 -0.00 0.00 2.84 0.00 0.00 34.83 34.17 3a12 s MET 253 CO 0.03 0.47 -0.15 0.08 -0.65 0.00 0.00 175.02 174.79 3a12 s VAL 254 N -0.15 1.25 -0.93 10.11 1.01 -0.06 -1.43 120.40 130.21 3a12 s VAL 254 Ca 0.13 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3a12 s VAL 254 Cb -0.12 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.24 3a12 s VAL 254 CO 0.02 0.36 1.38 -1.81 0.00 0.00 0.00 175.10 175.05 3a12 s ASP 255 N -0.05 6.40 0.24 3.32 1.01 -1.26 -0.89 116.67 125.43 3a12 s ASP 255 Ca -0.01 -1.16 -0.01 0.00 0.71 0.00 0.00 52.55 52.08 3a12 s ASP 255 Cb -0.09 -2.56 0.27 0.00 1.01 0.00 0.00 42.92 41.55 3a12 s ASP 255 CO 0.01 -1.59 1.63 -0.37 0.21 0.00 0.00 175.17 175.06 3a12 h VAL 256 N 6.53 1.29 -0.33 -1.27 -1.51 -1.35 -0.35 116.25 119.25 3a12 h VAL 256 Ca 0.05 -1.46 -0.09 0.00 -1.23 0.00 0.00 66.70 63.97 3a12 h VAL 256 Cb 1.02 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 3a12 h VAL 256 CO 1.37 0.46 -0.15 0.58 -1.23 0.00 0.00 177.57 178.60 3a12 h VAL 257 N 0.48 1.29 -0.25 7.19 2.07 -1.80 -2.24 116.25 122.98 3a12 h VAL 257 Ca 0.05 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3a12 h VAL 257 Cb 0.82 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3a12 h VAL 257 CO 0.07 0.41 -0.04 0.40 0.02 0.00 0.00 177.57 178.43 3a12 h ILE 258 N 0.46 1.27 -0.57 4.57 2.04 -1.69 -3.10 117.51 120.49 3a12 h ILE 258 Ca 0.08 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 65.00 3a12 h ILE 258 Cb 0.68 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 3a12 h ILE 258 CO 0.05 0.32 0.23 0.74 0.00 0.00 0.00 178.15 179.48 3a12 h THR 259 N 0.23 0.82 0.00 -0.27 2.02 -1.03 -3.48 112.91 111.19 3a12 h THR 259 Ca 0.07 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3a12 h THR 259 Cb 0.49 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3a12 h THR 259 CO 0.02 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.60 3a12 n GLY 260 N -1.28 1.23 0.21 2.16 0.00 -0.85 -4.63 105.19 102.03 3a12 n GLY 260 Ca 0.07 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.32 3a12 n GLY 260 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a12 h TRP 261 N 0.00 0.00 -0.34 1.61 4.06 -1.87 -3.09 115.95 116.32 3a12 h TRP 261 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3a12 h TRP 261 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3a12 h TRP 261 CO 0.00 0.28 0.16 0.78 -3.56 0.00 0.00 178.44 176.11 3a12 h GLY 262 N 1.46 0.51 -0.10 1.49 0.00 -1.99 -3.27 103.07 101.16 3a12 h GLY 262 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3a12 h GLY 262 CO 0.04 0.21 -0.08 0.00 0.00 0.00 0.00 176.54 176.70 3a12 n ALA 263 N -2.48 2.43 -0.18 3.60 0.00 -1.21 -4.78 120.51 117.88 3a12 n ALA 263 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 3a12 n ALA 263 Cb 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.25 0.77 -1.08 0.00 5.85 -1.58 -0.93 115.31 118.59 3a12 h LEU 264 Ca 0.00 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3a12 h LEU 264 Cb 0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3a12 h LEU 264 CO 0.00 0.81 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.79 3a12 h ARG 265 N 0.70 0.61 -0.16 1.25 2.43 -1.86 0.69 114.38 118.03 3a12 h ARG 265 Ca 0.16 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3a12 h ARG 265 Cb 0.34 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3a12 h ARG 265 CO 0.00 0.65 -0.10 -0.92 -1.51 0.00 0.00 179.97 178.09 3a12 h TYR 266 N 0.57 0.41 -0.87 2.20 3.20 -1.77 -0.13 116.97 120.58 3a12 h TYR 266 Ca 0.12 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3a12 h TYR 266 Cb 0.41 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3a12 h TYR 266 CO 0.02 0.69 0.58 0.82 -1.64 0.00 0.00 178.16 178.63 3a12 h ILE 267 N 0.00 1.22 -0.50 1.81 1.08 -0.95 -0.74 117.51 119.45 3a12 h ILE 267 Ca 0.03 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 3a12 h ILE 267 Cb 0.60 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 3a12 h ILE 267 CO 0.03 0.22 0.23 -0.09 -0.69 0.00 0.00 178.15 177.84 3a12 h ARG 268 N 1.18 0.72 -0.68 2.37 1.12 -0.78 -0.63 114.38 117.69 3a12 h ARG 268 Ca 0.32 -0.11 -0.08 0.00 -1.11 0.00 0.00 59.98 59.00 3a12 h ARG 268 Cb -0.13 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 29.67 3a12 h ARG 268 CO -0.07 0.61 0.13 -0.44 -3.11 0.00 0.00 179.97 177.10 3a12 h ASP 269 N 0.66 1.06 0.15 -3.80 3.32 -0.52 -1.36 116.42 115.94 3a12 h ASP 269 Ca 0.17 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3a12 h ASP 269 Cb 0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3a12 h ASP 269 CO -0.02 1.04 -0.07 0.25 -1.72 0.00 0.00 179.24 178.72 3a12 h LEU 270 N 1.04 -0.17 -1.01 1.55 5.85 -1.01 -0.26 115.31 121.30 3a12 h LEU 270 Ca 0.21 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.97 3a12 h LEU 270 Cb 0.42 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 3a12 h LEU 270 CO 0.01 -0.04 0.64 0.00 -0.34 0.00 0.00 178.44 178.71 3a12 h ALA 271 N 0.55 1.51 -0.27 1.25 0.00 -0.99 -1.50 119.26 119.81 3a12 h ALA 271 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3a12 h ALA 271 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a12 h ALA 271 CO 0.03 0.26 -0.00 0.00 0.00 0.00 0.00 179.25 179.54 3a12 h ALA 272 N 1.53 0.36 -0.41 0.00 0.00 -0.96 0.17 119.26 119.95 3a12 h ALA 272 Ca 0.49 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3a12 h ALA 272 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3a12 h ALA 272 CO -0.25 0.10 0.29 -0.44 0.00 0.00 0.00 179.25 178.94 3a12 h ASP 273 N 0.26 0.17 0.31 0.00 3.32 -0.39 -0.87 116.42 119.22 3a12 h ASP 273 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3a12 h ASP 273 Cb 0.42 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3a12 h ASP 273 CO 0.01 0.10 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.31 3a12 n TYR 274 N -4.46 0.00 -2.58 4.55 4.01 -0.63 -4.93 117.16 113.13 3a12 n TYR 274 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 3a12 n TYR 274 Cb 0.35 -0.16 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.26 0.19 3.48 2.72 0.00 -0.33 -4.88 105.19 107.63 3a12 n GLY 275 Ca 0.15 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.05 3.05 0.33 0.99 1.43 0.55 -4.87 118.68 117.12 3a12 s LEU 276 Ca 0.13 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 3a12 s LEU 276 Cb -0.06 -1.70 -0.10 0.00 0.03 0.00 0.00 46.19 44.37 3a12 s LEU 276 CO 0.16 0.23 0.94 0.00 0.23 0.00 0.00 176.35 177.91 3a12 s ALA 277 N -0.01 3.20 -0.21 4.21 0.00 -0.03 -4.25 121.76 124.68 3a12 s ALA 277 Ca -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 3a12 s ALA 277 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3a12 s ALA 277 CO 0.03 0.17 0.02 0.42 0.00 0.00 0.00 175.76 176.41 3a12 s ILE 278 N -1.65 4.11 -0.27 0.00 1.01 -1.26 -0.08 121.20 123.05 3a12 s ILE 278 Ca 0.51 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.77 3a12 s ILE 278 Cb -0.18 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3a12 s ILE 278 CO 0.23 0.41 0.29 -2.28 0.00 0.00 0.00 174.94 173.59 3a12 s HIS 279 N 1.11 3.23 -0.25 3.97 5.65 0.54 -2.00 115.29 127.54 3a12 s HIS 279 Ca 0.03 0.27 -0.10 0.00 0.25 0.00 0.00 55.06 55.51 3a12 s HIS 279 Cb -0.14 -2.48 -0.05 0.00 -1.18 0.00 0.00 32.58 28.73 3a12 s HIS 279 CO 0.02 -0.20 0.15 0.20 -0.65 0.00 0.00 174.74 174.26 3a12 s GLY 280 N 1.70 1.93 -0.12 1.59 0.00 0.19 -0.88 107.32 111.73 3a12 s GLY 280 Ca 0.11 -0.99 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3a12 s GLY 280 CO 0.10 0.49 0.05 -1.58 0.00 0.00 0.00 173.10 172.17 3a12 s HIS 281 N 1.36 3.31 -0.22 1.90 2.46 -0.07 -2.93 115.29 121.10 3a12 s HIS 281 Ca 0.07 0.26 0.15 0.00 0.47 0.00 0.00 55.06 56.01 3a12 s HIS 281 Cb -0.15 -1.89 0.73 0.00 -0.13 0.00 0.00 32.58 31.14 3a12 s HIS 281 CO 0.07 0.48 1.65 2.89 -2.47 0.00 0.00 174.74 177.36 3a12 n ARG 282 N 2.38 4.28 -1.56 2.88 1.85 -1.26 -0.86 116.66 124.37 3a12 n ARG 282 Ca -0.19 -3.07 -0.58 0.00 -1.00 0.00 0.00 57.85 53.01 3a12 n ARG 282 Cb 0.54 -2.14 -0.08 0.00 -1.05 0.00 0.00 32.46 29.73 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 0.25 -2.50 0.00 2.89 0.00 -1.26 -0.83 120.51 119.06 3a12 n ALA 283 Ca 0.26 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.26 3a12 n ALA 283 Cb 1.11 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3a12 n ALA 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3a12 n MET 284 N 2.23 0.00 -0.35 0.00 0.00 -1.26 -4.14 117.12 113.59 3a12 n MET 284 Ca 0.21 0.00 0.14 0.00 -0.00 0.00 0.00 57.70 58.05 3a12 n MET 284 Cb 0.10 0.00 0.34 0.00 0.00 0.00 0.00 33.22 33.66 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 1.05 0.00 1.12 -0.00 -1.40 -0.84 115.15 115.07 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 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 3a12 h HIS 285 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 177.93 178.11 3a12 n ALA 286 N -2.33 1.28 0.29 6.11 0.00 -1.26 -0.53 120.51 124.07 3a12 n ALA 286 Ca 0.24 0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.95 3a12 n ALA 286 Cb 0.63 -1.30 0.89 0.00 0.00 0.00 0.00 19.45 19.67 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 2.12 1.59 0.00 0.00 0.00 -1.56 -3.30 119.26 118.11 3a12 h ALA 287 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 287 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a12 h ALA 287 CO 0.00 -0.02 0.00 1.97 0.00 0.00 0.00 179.25 181.20 3a12 n PHE 288 N -3.92 0.00 0.93 0.00 1.16 0.31 -4.82 117.46 111.12 3a12 n PHE 288 Ca -0.03 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.66 3a12 n PHE 288 Cb 0.10 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.01 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 -0.24 0.00 0.05 1.97 -2.24 -0.32 -1.47 114.28 112.03 3a12 n THR 289 Ca 0.00 -0.40 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 3a12 n THR 289 Cb 0.04 1.36 -0.14 0.00 -2.10 0.00 0.00 70.33 69.49 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 3.42 0.33 -6.39 -0.78 2.43 -1.81 -3.41 114.38 108.17 3a12 h ARG 290 Ca 0.00 -0.56 -0.57 0.00 -0.81 0.00 0.00 59.98 58.04 3a12 h ARG 290 Cb 0.83 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 3a12 h ARG 290 CO 0.00 1.27 1.02 1.21 -1.51 0.00 0.00 179.97 181.96 3a12 s ASN 291 N -7.15 6.53 0.00 -3.80 3.84 -1.26 -4.89 114.94 108.20 3a12 s ASN 291 Ca -0.17 1.17 0.10 0.00 0.21 0.00 0.00 52.86 54.18 3a12 s ASN 291 Cb 0.04 -2.54 0.45 0.00 -0.55 0.00 0.00 41.25 38.65 3a12 s ASN 291 CO 0.82 -1.21 1.29 -0.81 -2.79 0.00 0.00 177.10 174.40 3a12 n PRO 292 N 7.58 0.05 0.00 0.43 -0.04 -1.26 -2.13 135.00 139.62 3a12 n PRO 292 Ca 0.16 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.95 3a12 n PRO 292 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3a12 n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a12 n TYR 293 N -1.43 0.00 -3.61 0.54 4.01 -1.26 -4.89 117.16 110.52 3a12 n TYR 293 Ca 0.03 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.74 3a12 n TYR 293 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.95 -0.84 -1.71 -0.72 2.46 -0.91 -2.36 115.29 110.26 3a12 s HIS 294 Ca 0.11 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.25 3a12 s HIS 294 Cb 0.08 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 33.03 3a12 s HIS 294 CO 0.15 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.42 3a12 n GLY 295 N 4.28 0.43 3.07 1.59 0.00 -0.47 -4.27 105.19 109.82 3a12 n GLY 295 Ca -0.17 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.37 1.30 0.40 -0.61 1.01 -0.54 -0.73 121.20 120.66 3a12 s ILE 296 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 3a12 s ILE 296 Cb 0.00 -1.16 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 3a12 s ILE 296 CO 0.00 0.39 1.04 -0.55 0.00 0.00 0.00 174.94 175.82 3a12 s SER 297 N 0.48 6.77 0.56 3.58 0.15 -0.27 -3.64 113.70 121.32 3a12 s SER 297 Ca -0.13 2.02 0.26 0.00 0.70 0.00 0.00 55.95 58.80 3a12 s SER 297 Cb -0.15 -2.58 1.49 0.00 -1.71 0.00 0.00 66.02 63.06 3a12 s SER 297 CO 0.04 -0.48 2.05 -0.03 1.20 0.00 0.00 173.24 176.02 3a12 h MET 298 N 2.49 0.00 -0.79 5.44 4.05 -1.91 -1.47 114.93 122.74 3a12 h MET 298 Ca -0.48 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 58.99 3a12 h MET 298 Cb 1.21 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.96 3a12 h MET 298 CO 0.62 0.00 0.49 0.35 0.23 0.00 0.00 176.91 178.60 3a12 h PHE 299 N 0.00 0.90 0.07 1.39 3.57 -1.90 0.81 116.94 121.78 3a12 h PHE 299 Ca 0.15 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3a12 h PHE 299 Cb 0.68 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3a12 h PHE 299 CO 0.00 0.47 -0.03 0.28 -2.23 0.00 0.00 178.31 176.80 3a12 h VAL 300 N 0.91 1.05 -0.83 1.41 2.07 -1.48 -2.35 116.25 117.02 3a12 h VAL 300 Ca 0.34 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.55 3a12 h VAL 300 Cb 0.12 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3a12 h VAL 300 CO -0.16 0.10 0.50 -0.07 0.02 0.00 0.00 177.57 177.96 3a12 h LEU 301 N -0.26 0.75 -0.65 2.57 3.38 -1.37 -0.21 115.31 119.51 3a12 h LEU 301 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3a12 h LEU 301 Cb 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3a12 h LEU 301 CO 0.01 0.45 0.33 0.00 0.09 0.00 0.00 178.44 179.33 3a12 h ALA 302 N 1.43 0.84 0.32 1.53 0.00 -0.72 0.18 119.26 122.83 3a12 h ALA 302 Ca 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3a12 h ALA 302 Cb 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a12 h ALA 302 CO -0.21 0.39 -0.15 -0.22 0.00 0.00 0.00 179.25 179.06 3a12 h LYS 303 N 0.90 -0.41 -0.76 0.00 3.64 -0.81 -1.75 116.57 117.38 3a12 h LYS 303 Ca 0.23 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3a12 h LYS 303 Cb 0.10 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3a12 h LYS 303 CO -0.03 -0.18 0.49 -0.07 -2.27 0.00 0.00 179.45 177.39 3a12 h LEU 304 N -0.58 0.84 -0.97 5.20 3.38 -0.96 -0.44 115.31 121.78 3a12 h LEU 304 Ca -0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3a12 h LEU 304 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a12 h LEU 304 CO 0.07 0.59 -0.20 1.88 0.09 0.00 0.00 178.44 180.87 3a12 h TYR 305 N 0.99 0.56 -0.25 1.13 0.05 -0.95 -0.66 116.97 117.85 3a12 h TYR 305 Ca 0.29 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 3a12 h TYR 305 Cb -0.06 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3a12 h TYR 305 CO -0.03 0.68 -0.01 -0.09 -1.05 0.00 0.00 178.16 177.67 3a12 h ARG 306 N 0.46 0.44 -0.48 4.88 2.43 -0.89 -1.55 114.38 119.67 3a12 h ARG 306 Ca 0.07 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3a12 h ARG 306 Cb 0.61 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 3a12 h ARG 306 CO 0.04 0.62 0.19 -0.07 -1.51 0.00 0.00 179.97 179.25 3a12 h LEU 307 N 0.22 0.22 -0.78 3.80 3.38 -0.57 -2.32 115.31 119.25 3a12 h LEU 307 Ca 0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3a12 h LEU 307 Cb 0.43 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3a12 h LEU 307 CO 0.01 0.16 0.42 0.40 0.09 0.00 0.00 178.44 179.52 3a12 h ILE 308 N 0.38 1.24 0.00 1.22 2.04 -1.07 0.34 117.51 121.65 3a12 h ILE 308 Ca 0.22 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3a12 h ILE 308 Cb 0.21 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3a12 h ILE 308 CO -0.21 0.27 0.00 0.61 0.00 0.00 0.00 178.15 178.82 3a12 n GLY 309 N -1.08 1.22 3.69 5.37 0.00 -0.78 -4.10 105.19 109.52 3a12 n GLY 309 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.28 2.91 0.11 -0.61 -1.09 -0.66 -4.24 121.20 116.34 3a12 s ILE 310 Ca 0.00 0.43 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 3a12 s ILE 310 Cb 0.00 -3.28 -0.23 0.00 -1.58 0.00 0.00 42.46 37.38 3a12 s ILE 310 CO 0.00 0.00 1.25 0.44 -1.23 0.00 0.00 174.94 175.40 3a12 h ASP 311 N 8.10 0.14 -3.58 3.58 3.32 -1.74 -3.43 116.42 122.80 3a12 h ASP 311 Ca -0.43 -0.14 -0.34 0.00 0.02 0.00 0.00 57.03 56.14 3a12 h ASP 311 Cb 1.20 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.39 3a12 h ASP 311 CO 0.93 1.10 -0.75 -1.10 -1.72 0.00 0.00 179.24 177.70 3a12 s GLN 312 N -2.73 0.35 -0.01 3.56 -0.21 -0.85 0.10 119.66 119.86 3a12 s GLN 312 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.38 3a12 s GLN 312 Cb 0.09 -0.46 0.01 0.00 1.00 0.00 0.00 33.01 33.66 3a12 s GLN 312 CO 0.84 -0.07 0.01 -1.17 -2.12 0.00 0.00 175.29 172.77 3a12 s LEU 313 N 0.71 1.57 0.15 2.90 2.96 -0.51 0.54 118.68 127.01 3a12 s LEU 313 Ca -0.07 0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.54 3a12 s LEU 313 Cb -0.11 -0.06 -0.08 0.00 0.50 0.00 0.00 46.19 46.44 3a12 s LEU 313 CO -0.01 -0.06 1.37 -1.00 -1.32 0.00 0.00 176.35 175.33 3a12 s HIS 314 N 0.50 3.23 0.00 5.38 3.76 -1.15 0.83 115.29 127.84 3a12 s HIS 314 Ca -0.04 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 3a12 s HIS 314 Cb -0.06 -3.67 0.00 0.00 1.11 0.00 0.00 32.58 29.96 3a12 s HIS 314 CO -0.01 -2.25 0.00 1.33 -0.85 0.00 0.00 174.74 172.95 3a12 n VAL 315 N 3.44 0.00 0.00 -0.90 0.24 -0.32 -4.83 118.33 115.96 3a12 n VAL 315 Ca 0.10 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3a12 n VAL 315 Cb 0.42 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3a12 n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a12 n GLY 316 N 1.24 1.40 0.20 7.63 0.00 -1.25 -4.78 105.19 109.64 3a12 n GLY 316 Ca 0.00 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.11 1.06 -3.62 2.61 -2.24 -1.26 -4.25 114.28 105.47 3a12 n THR 317 Ca 0.00 -1.07 -0.24 0.00 -2.27 0.00 0.00 64.05 60.47 3a12 n THR 317 Cb 0.00 0.45 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.25 -1.42 0.00 6.98 0.00 -1.26 -2.49 120.51 122.08 3a12 n ALA 318 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3a12 n ALA 318 Cb 0.33 -4.91 0.00 0.00 0.00 0.00 0.00 19.45 14.87 3a12 n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 319 N -1.85 3.07 0.15 0.00 0.00 -0.92 -4.14 105.19 101.51 3a12 n GLY 319 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.73 -3.85 4.61 0.00 -1.81 -3.48 119.26 115.47 3a12 h ALA 320 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3a12 h ALA 320 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a12 h ALA 320 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3a12 n GLY 321 N 1.14 1.84 0.10 0.00 0.00 -1.26 -4.48 105.19 102.54 3a12 n GLY 321 Ca 0.02 -2.11 0.13 0.00 0.00 0.00 0.00 46.02 44.07 3a12 n GLY 321 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a12 n LYS 322 N -0.87 0.45 -4.17 1.61 2.85 -0.44 -4.70 118.16 112.89 3a12 n LYS 322 Ca 0.00 -0.20 -0.31 0.00 -1.05 0.00 0.00 58.31 56.75 3a12 n LYS 322 Cb 0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 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 -2.69 3.50 0.51 -5.58 1.43 -1.26 -4.87 118.68 109.72 3a12 s LEU 323 Ca 0.21 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.97 3a12 s LEU 323 Cb 0.19 -2.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 3a12 s LEU 323 CO 0.55 0.20 1.22 -0.70 0.23 0.00 0.00 176.35 177.86 3a12 s GLU 324 N -2.11 3.44 0.00 1.70 -6.30 -1.26 -4.84 118.70 109.32 3a12 s GLU 324 Ca 0.24 1.90 0.00 0.00 -2.50 0.00 0.00 54.97 54.62 3a12 s GLU 324 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.75 3a12 s GLU 324 CO 0.16 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.00 3a12 n GLY 325 N 0.52 1.70 3.73 -1.50 0.00 -1.26 -4.92 105.19 103.46 3a12 n GLY 325 Ca 0.09 0.33 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 3a12 n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a12 s GLY 326 N 0.00 2.78 0.12 -0.02 0.00 -1.26 -2.17 107.32 106.77 3a12 s GLY 326 Ca 0.00 1.16 -0.19 0.00 0.00 0.00 0.00 44.72 45.68 3a12 s GLY 326 CO 0.00 1.58 1.75 1.70 0.00 0.00 0.00 173.10 178.13 3a12 h LYS 327 N 0.44 0.18 -0.02 2.90 3.64 -1.96 -2.22 116.57 119.53 3a12 h LYS 327 Ca -0.50 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3a12 h LYS 327 Cb 1.33 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3a12 h LYS 327 CO 0.53 0.12 0.00 2.35 -2.27 0.00 0.00 179.45 180.18 3a12 h TRP 328 N 0.19 0.04 -0.79 1.91 7.01 -1.92 -1.82 115.95 120.56 3a12 h TRP 328 Ca 0.08 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.25 3a12 h TRP 328 Cb 0.04 -0.01 -0.11 0.00 -2.10 0.00 0.00 29.16 26.98 3a12 h TRP 328 CO -0.11 0.26 0.28 -0.44 -2.79 0.00 0.00 178.44 175.64 3a12 h ASP 329 N -0.20 0.18 0.89 2.65 3.32 -1.93 -1.09 116.42 120.25 3a12 h ASP 329 Ca 0.01 0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 3a12 h ASP 329 Cb 0.24 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3a12 h ASP 329 CO 0.00 0.02 -0.70 0.58 -1.72 0.00 0.00 179.24 177.41 3a12 h VAL 330 N 0.36 1.39 -0.46 -1.35 2.07 -1.25 -0.86 116.25 116.15 3a12 h VAL 330 Ca 0.46 -2.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 3a12 h VAL 330 Cb 0.78 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 3a12 h VAL 330 CO -0.48 0.69 0.18 0.40 0.02 0.00 0.00 177.57 178.37 3a12 h ILE 331 N 0.00 1.21 -0.05 4.57 2.04 -0.43 -1.40 117.51 123.45 3a12 h ILE 331 Ca -0.01 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3a12 h ILE 331 Cb 1.34 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3a12 h ILE 331 CO 0.09 0.24 0.02 1.56 0.00 0.00 0.00 178.15 180.06 3a12 h GLN 332 N 0.61 0.04 -0.65 2.37 1.08 -0.76 0.04 115.11 117.84 3a12 h GLN 332 Ca 0.15 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.48 3a12 h GLN 332 Cb 0.21 -0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.51 3a12 h GLN 332 CO -0.01 0.03 -0.14 -0.91 -0.95 0.00 0.00 178.83 176.85 3a12 h ASN 333 N 0.04 -0.56 -0.34 1.46 2.35 -0.92 -0.58 115.58 117.03 3a12 h ASN 333 Ca 0.02 0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3a12 h ASN 333 Cb 0.01 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3a12 h ASN 333 CO -0.02 -0.20 0.16 0.00 -1.65 0.00 0.00 177.43 175.71 3a12 h ALA 334 N 1.64 0.44 -0.34 -0.83 0.00 -0.87 -2.89 119.26 116.42 3a12 h ALA 334 Ca 0.32 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3a12 h ALA 334 Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3a12 h ALA 334 CO -0.65 0.02 0.15 0.00 0.00 0.00 0.00 179.25 178.77 3a12 h ARG 335 N 0.41 0.31 0.00 0.00 3.08 0.30 -2.62 114.38 115.87 3a12 h ARG 335 Ca 0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3a12 h ARG 335 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3a12 h ARG 335 CO -0.01 0.20 -0.14 0.97 -1.07 0.00 0.00 179.97 179.92 3a12 h ILE 336 N 0.32 0.52 0.00 2.04 6.09 -1.09 0.34 117.51 125.72 3a12 h ILE 336 Ca 0.15 -0.65 -0.19 0.00 -1.37 0.00 0.00 64.86 62.80 3a12 h ILE 336 Cb 0.08 1.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.78 3a12 h ILE 336 CO -0.12 0.13 -0.89 -0.07 -3.07 0.00 0.00 178.15 174.14 3a12 h LEU 337 N 0.00 0.00 0.00 2.19 3.38 -1.27 -3.39 115.31 116.21 3a12 h LEU 337 Ca -0.00 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3a12 h LEU 337 Cb 0.43 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3a12 h LEU 337 CO 0.02 0.89 -2.38 0.54 0.09 0.00 0.00 178.44 177.59 3a12 n ARG 338 N -3.49 0.73 -3.23 1.13 1.74 -0.65 -0.69 116.66 112.20 3a12 n ARG 338 Ca -0.00 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 3a12 n ARG 338 Cb 0.84 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.49 4.26 0.11 5.56 2.02 0.02 -4.61 118.70 123.57 3a12 s GLU 339 Ca -0.14 0.79 -0.13 0.00 0.02 0.00 0.00 54.97 55.51 3a12 s GLU 339 Cb 0.06 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 30.94 3a12 s GLU 339 CO 0.77 0.60 1.38 1.03 0.02 0.00 0.00 175.26 179.07 3a12 h SER 340 N 4.63 0.93 -3.21 -0.19 0.87 -1.91 -3.41 113.55 111.25 3a12 h SER 340 Ca -0.49 -0.54 -0.53 0.00 -1.23 0.00 0.00 61.79 59.00 3a12 h SER 340 Cb 1.21 -0.27 -0.40 0.00 -0.44 0.00 0.00 62.40 62.51 3a12 h SER 340 CO 0.64 1.30 -0.76 -2.28 -0.53 0.00 0.00 176.83 175.20 3a12 s HIS 341 N -4.09 1.09 -0.24 2.24 5.65 -1.26 0.03 115.29 118.71 3a12 s HIS 341 Ca -0.11 -1.01 -0.20 0.00 0.25 0.00 0.00 55.06 53.99 3a12 s HIS 341 Cb 0.09 -1.13 -0.02 0.00 -1.18 0.00 0.00 32.58 30.34 3a12 s HIS 341 CO 0.88 -0.67 0.59 -0.47 -0.65 0.00 0.00 174.74 174.42 3a12 s TYR 342 N 1.84 3.31 -0.24 3.88 5.04 0.89 -4.94 117.35 127.13 3a12 s TYR 342 Ca 0.02 0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 55.44 3a12 s TYR 342 Cb -0.17 -2.78 0.03 0.00 0.35 0.00 0.00 41.96 39.38 3a12 s TYR 342 CO -0.13 -0.25 -0.08 0.15 -1.34 0.00 0.00 175.55 173.89 3a12 s LYS 343 N 2.22 2.77 0.50 4.97 1.02 -1.26 -1.24 119.74 128.71 3a12 s LYS 343 Ca 0.25 -1.01 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 3a12 s LYS 343 Cb -0.16 -2.93 -0.06 0.00 -0.52 0.00 0.00 37.83 34.17 3a12 s LYS 343 CO 0.09 -0.40 1.24 -1.25 -0.92 0.00 0.00 175.35 174.11 3a12 s PRO 344 N 1.29 3.50 0.70 -1.68 0.04 -1.26 -4.97 135.00 132.62 3a12 s PRO 344 Ca -0.00 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3a12 s PRO 344 Cb -0.17 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3a12 s PRO 344 CO -0.06 -0.82 1.03 -0.25 0.04 0.00 0.00 177.00 176.94 3a12 n ASP 345 N -0.72 0.77 0.25 6.66 8.00 -1.26 -4.87 116.55 125.38 3a12 n ASP 345 Ca 0.09 0.70 0.07 0.00 0.71 0.00 0.00 54.79 56.36 3a12 n ASP 345 Cb 0.47 -1.43 0.61 0.00 -0.02 0.00 0.00 41.12 40.74 3a12 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3a12 h GLU 346 N -0.08 0.00 -0.01 -1.24 4.22 -2.02 -0.52 114.58 114.93 3a12 h GLU 346 Ca -0.48 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 3a12 h GLU 346 Cb 1.34 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3a12 h GLU 346 CO 0.48 0.04 -0.08 0.27 -2.18 0.00 0.00 179.01 177.55 3a12 n ASN 347 N -4.49 0.96 -4.61 1.04 6.94 -1.26 -4.87 115.26 108.98 3a12 n ASN 347 Ca -0.03 -1.09 -0.43 0.00 -0.02 0.00 0.00 54.58 53.01 3a12 n ASN 347 Cb 0.13 0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 37.54 3a12 n ASN 347 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3a12 s ASP 348 N -2.22 6.56 0.00 0.53 -1.08 -0.21 -4.89 116.67 115.37 3a12 s ASP 348 Ca 0.34 0.71 0.24 0.00 -0.52 0.00 0.00 52.55 53.33 3a12 s ASP 348 Cb 0.21 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.84 3a12 s ASP 348 CO 0.41 -1.27 1.55 1.33 0.52 0.00 0.00 175.17 177.71 3a12 n VAL 349 N 6.78 0.15 -0.10 1.11 0.24 -1.26 -4.43 118.33 120.80 3a12 n VAL 349 Ca 0.14 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 3a12 n VAL 349 Cb 0.48 0.68 -0.12 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.61 0.00 -4.36 6.34 3.72 -1.26 -4.98 117.46 117.53 3a12 n PHE 350 Ca 0.17 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.29 3a12 n PHE 350 Cb 0.42 -0.88 -0.11 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.44 2.43 0.19 1.38 3.76 -1.26 -4.34 115.29 115.01 3a12 s HIS 351 Ca -0.21 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.46 3a12 s HIS 351 Cb 0.07 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 3a12 s HIS 351 CO 0.62 0.44 0.05 -0.51 -0.85 0.00 0.00 174.74 174.49 3a12 s LEU 352 N -2.42 3.47 0.35 0.89 1.43 -1.26 -4.77 118.68 116.38 3a12 s LEU 352 Ca 0.19 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 3a12 s LEU 352 Cb -0.09 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 3a12 s LEU 352 CO 0.10 0.06 1.54 1.21 0.23 0.00 0.00 176.35 179.48 3a12 n GLU 353 N -0.40 2.72 -3.64 1.70 2.13 -1.26 -4.66 120.64 117.23 3a12 n GLU 353 Ca -0.09 0.96 -0.13 0.00 0.66 0.00 0.00 57.16 58.56 3a12 n GLU 353 Cb 0.56 -2.72 -0.13 0.00 0.27 0.00 0.00 31.44 29.42 3a12 n GLU 353 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a12 s GLN 354 N -1.60 0.17 0.13 5.31 2.00 -0.38 -4.97 119.66 120.32 3a12 s GLN 354 Ca 0.56 0.74 -0.17 0.00 -2.00 0.00 0.00 55.36 54.49 3a12 s GLN 354 Cb -0.47 -0.08 -0.07 0.00 0.80 0.00 0.00 33.01 33.19 3a12 s GLN 354 CO 0.59 -0.31 0.58 0.15 -0.50 0.00 0.00 175.29 175.80 3a12 s LYS 355 N 2.43 4.10 -0.00 1.67 1.02 -1.26 -0.08 119.74 127.62 3a12 s LYS 355 Ca 0.02 0.64 0.12 0.00 0.02 0.00 0.00 55.97 56.76 3a12 s LYS 355 Cb -0.12 -3.04 -0.15 0.00 -0.52 0.00 0.00 37.83 34.00 3a12 s LYS 355 CO -0.09 0.53 0.44 1.19 -0.92 0.00 0.00 175.35 176.49 3a12 n PHE 356 N 1.15 0.00 0.00 3.18 3.72 0.10 -4.95 117.46 120.67 3a12 n PHE 356 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3a12 n PHE 356 Cb 0.51 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.46 0.00 0.90 1.38 4.01 -1.25 -1.99 117.16 118.75 3a12 n TYR 357 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 3a12 n TYR 357 Cb 0.22 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.51 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 9.90 0.50 -4.64 7.72 3.41 -1.26 -4.88 113.62 124.37 3a12 n SER 358 Ca 0.00 -0.10 -0.47 0.00 -0.26 0.00 0.00 58.87 58.03 3a12 n SER 358 Cb 0.00 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3a12 n SER 358 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a12 n ILE 359 N -1.64 0.53 -0.84 -1.33 2.08 -0.84 -4.95 119.36 112.37 3a12 n ILE 359 Ca 0.05 -0.17 -0.29 0.00 0.56 0.00 0.00 62.75 62.90 3a12 n ILE 359 Cb 0.36 -1.97 0.19 0.00 -0.75 0.00 0.00 39.64 37.47 3a12 n ILE 359 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3a12 s LYS 360 N 4.63 0.26 0.26 0.38 1.02 -1.26 -4.94 119.74 120.10 3a12 s LYS 360 Ca 0.95 0.95 -0.25 0.00 0.02 0.00 0.00 55.97 57.64 3a12 s LYS 360 Cb -0.65 -1.68 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 3a12 s LYS 360 CO 0.49 -2.96 0.87 0.00 -0.92 0.00 0.00 175.35 172.83 3a12 s ALA 361 N -2.69 3.32 0.08 5.17 0.00 -1.26 -4.56 121.76 121.81 3a12 s ALA 361 Ca 0.66 0.45 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3a12 s ALA 361 Cb -0.22 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3a12 s ALA 361 CO 0.60 0.23 0.19 0.00 0.00 0.00 0.00 175.76 176.78 3a12 s ALA 362 N -1.43 3.89 -0.51 0.00 0.00 0.14 -0.56 121.76 123.28 3a12 s ALA 362 Ca 0.44 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 3a12 s ALA 362 Cb -0.20 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.23 3a12 s ALA 362 CO 0.25 0.76 0.96 0.12 0.00 0.00 0.00 175.76 177.86 3a12 s PHE 363 N -1.52 2.84 0.40 0.00 2.19 0.11 -4.27 117.98 117.74 3a12 s PHE 363 Ca 0.33 0.24 -0.27 0.00 0.33 0.00 0.00 56.93 57.57 3a12 s PHE 363 Cb -0.12 -4.06 -0.09 0.00 -1.31 0.00 0.00 43.02 37.43 3a12 s PHE 363 CO 0.27 -1.24 1.39 -2.14 1.83 0.00 0.00 175.22 175.32 3a12 s PRO 364 N 3.94 3.99 -0.10 10.12 0.02 -1.26 -1.42 135.00 150.29 3a12 s PRO 364 Ca 0.35 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.74 3a12 s PRO 364 Cb -0.11 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 3a12 s PRO 364 CO 0.24 -0.55 -0.16 0.99 -0.33 0.00 0.00 177.00 177.19 3a12 s THR 365 N -1.19 2.80 -0.16 0.99 2.01 0.24 -0.71 115.64 119.63 3a12 s THR 365 Ca 0.56 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3a12 s THR 365 Cb -0.42 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 69.96 3a12 s THR 365 CO 0.55 0.55 -0.18 -0.55 -0.69 0.00 0.00 174.62 174.30 3a12 s SER 366 N 0.05 3.37 -0.09 3.53 0.15 0.11 -1.17 113.70 119.65 3a12 s SER 366 Ca -0.06 -0.56 -0.23 0.00 0.70 0.00 0.00 55.95 55.80 3a12 s SER 366 Cb -0.15 -1.51 0.05 0.00 -1.71 0.00 0.00 66.02 62.70 3a12 s SER 366 CO 0.05 0.06 0.53 -0.55 1.20 0.00 0.00 173.24 174.53 3a12 s SER 367 N 0.97 -0.50 0.00 5.45 0.15 -1.26 -1.93 113.70 116.58 3a12 s SER 367 Ca -0.03 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3a12 s SER 367 Cb -0.15 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 3a12 s SER 367 CO -0.04 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.57 3a12 n GLY 368 N 1.57 2.31 2.20 9.45 0.00 -1.26 -4.60 105.19 114.86 3a12 n GLY 368 Ca -0.18 -0.72 -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 0.09 0.53 3.86 -0.02 0.00 -1.26 -1.33 105.19 107.05 3a12 n GLY 369 Ca 0.00 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.13 4.32 0.24 0.99 1.43 -1.26 -4.50 118.68 117.76 3a12 s LEU 370 Ca 0.00 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 3a12 s LEU 370 Cb 0.00 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 3a12 s LEU 370 CO 0.00 0.10 0.43 -1.38 0.23 0.00 0.00 176.35 175.74 3a12 s HIS 371 N -1.49 0.43 0.36 0.29 -3.43 -1.26 -3.53 115.29 106.67 3a12 s HIS 371 Ca 0.37 -0.78 0.14 0.00 -0.80 0.00 0.00 55.06 54.00 3a12 s HIS 371 Cb -0.14 0.11 1.00 0.00 -1.43 0.00 0.00 32.58 32.11 3a12 s HIS 371 CO 0.19 -0.94 1.76 -1.35 -2.00 0.00 0.00 174.74 172.40 3a12 h PRO 372 N 2.31 0.48 0.00 -0.38 0.11 -1.92 -0.04 132.00 132.56 3a12 h PRO 372 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3a12 h PRO 372 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3a12 h PRO 372 CO 0.38 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 3a12 n GLY 373 N -1.41 -0.91 0.40 -0.55 0.00 -1.26 -3.79 105.19 97.67 3a12 n GLY 373 Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3a12 n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a12 n ASN 374 N -1.08 0.19 0.10 1.61 6.94 -0.04 -4.36 115.26 118.63 3a12 n ASN 374 Ca 0.18 -1.95 0.08 0.00 -0.02 0.00 0.00 54.58 52.87 3a12 n ASN 374 Cb 0.12 -0.19 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 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 5.91 0.20 -0.54 1.53 3.07 -1.63 -3.39 117.51 122.65 3a12 h ILE 375 Ca 0.00 -1.36 0.09 0.00 1.55 0.00 0.00 64.86 65.15 3a12 h ILE 375 Cb 1.31 1.77 -0.07 0.00 -0.27 0.00 0.00 36.82 39.56 3a12 h ILE 375 CO 0.00 0.11 0.13 -0.61 -1.05 0.00 0.00 178.15 176.73 3a12 h GLN 376 N 0.00 0.27 0.00 0.16 -0.00 -1.87 0.23 115.11 113.89 3a12 h GLN 376 Ca -0.04 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 3a12 h GLN 376 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 28.60 3a12 h GLN 376 CO 0.02 0.18 -0.13 -1.35 0.00 0.00 0.00 178.83 177.55 3a12 h PRO 377 N 0.27 0.00 0.06 -2.39 0.11 -1.94 -0.09 132.00 128.03 3a12 h PRO 377 Ca 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 3a12 h PRO 377 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3a12 h PRO 377 CO -0.34 0.13 -0.03 0.28 -0.21 0.00 0.00 178.00 177.82 3a12 h VAL 378 N 0.00 1.25 -0.77 3.15 2.07 -0.84 -2.50 116.25 118.60 3a12 h VAL 378 Ca -0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3a12 h VAL 378 Cb 0.36 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3a12 h VAL 378 CO 0.02 0.30 0.43 0.40 0.02 0.00 0.00 177.57 178.74 3a12 h ILE 379 N -0.67 1.23 -0.61 4.57 2.04 -0.74 0.05 117.51 123.38 3a12 h ILE 379 Ca -0.01 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3a12 h ILE 379 Cb 0.56 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3a12 h ILE 379 CO 0.01 0.25 0.35 -0.08 0.00 0.00 0.00 178.15 178.68 3a12 h GLU 380 N 1.06 0.83 0.17 2.37 4.81 -1.09 0.69 114.58 123.42 3a12 h GLU 380 Ca 0.27 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 59.11 3a12 h GLU 380 Cb 0.02 -0.17 0.03 0.00 0.63 0.00 0.00 28.75 29.26 3a12 h GLU 380 CO -0.04 0.60 -1.33 0.00 -0.73 0.00 0.00 179.01 177.50 3a12 h ALA 381 N 1.54 -0.05 0.00 2.92 0.00 -0.94 -3.38 119.26 119.36 3a12 h ALA 381 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3a12 h ALA 381 Cb -0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a12 h ALA 381 CO -0.04 0.72 -0.91 1.28 0.00 0.00 0.00 179.25 180.31 3a12 n LEU 382 N -3.74 0.47 0.00 0.00 4.77 -0.05 -4.89 117.00 113.57 3a12 n LEU 382 Ca -0.14 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3a12 n LEU 382 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3a12 n LEU 382 CO 0.59 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3a12 n GLY 383 N 1.42 -2.24 0.21 -0.72 0.00 0.24 -4.51 105.19 99.59 3a12 n GLY 383 Ca 0.01 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.22 0.00 -2.02 2.61 -2.24 -1.26 -4.44 114.28 106.70 3a12 n THR 384 Ca 0.00 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 3a12 n THR 384 Cb 0.00 0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.82 6.07 -4.04 3.42 8.00 -1.26 -2.93 116.55 124.99 3a12 n ASP 385 Ca 0.09 -3.01 -0.08 0.00 0.71 0.00 0.00 54.79 52.50 3a12 n ASP 385 Cb 0.37 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 39.89 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 0.67 0.18 -0.18 0.53 -4.36 -1.26 -4.32 121.20 112.46 3a12 s ILE 386 Ca 0.48 -1.66 -0.07 0.00 -0.26 0.00 0.00 60.65 59.13 3a12 s ILE 386 Cb 0.14 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 3a12 s ILE 386 CO -0.04 -0.80 0.06 -0.69 0.24 0.00 0.00 174.94 173.71 3a12 s VAL 387 N -3.93 4.82 -0.11 8.37 1.01 0.11 -1.95 120.40 128.73 3a12 s VAL 387 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3a12 s VAL 387 Cb 0.07 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3a12 s VAL 387 CO -0.08 0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 174.68 3a12 s LEU 388 N 0.24 3.16 -0.13 3.92 1.43 0.91 0.05 118.68 128.26 3a12 s LEU 388 Ca 0.04 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3a12 s LEU 388 Cb -0.12 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3a12 s LEU 388 CO 0.00 0.27 -0.21 -1.58 0.23 0.00 0.00 176.35 175.06 3a12 s GLN 389 N -0.27 3.07 -0.23 1.70 -0.44 -0.81 -1.61 119.66 121.07 3a12 s GLN 389 Ca 0.04 -0.84 -0.00 0.00 -2.50 0.00 0.00 55.36 52.06 3a12 s GLN 389 Cb -0.13 -2.43 0.06 0.00 -1.64 0.00 0.00 33.01 28.88 3a12 s GLN 389 CO 0.02 0.06 -0.01 -0.51 0.50 0.00 0.00 175.29 175.36 3a12 s LEU 390 N 0.64 2.17 0.00 3.68 1.02 -0.69 -4.30 118.68 121.20 3a12 s LEU 390 Ca -0.11 -1.13 0.00 0.00 0.02 0.00 0.00 54.13 52.92 3a12 s LEU 390 Cb -0.16 -0.98 0.00 0.00 0.02 0.00 0.00 46.19 45.06 3a12 s LEU 390 CO 0.02 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.73 3a12 n GLY 391 N 4.79 0.08 0.36 -3.19 0.00 -1.26 -3.93 105.19 102.04 3a12 n GLY 391 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 0.86 1.47 -0.02 0.00 -1.87 -1.03 103.07 102.47 3a12 h GLY 392 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3a12 h GLY 392 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.30 3a12 n GLY 393 N -1.47 -0.87 0.49 4.60 0.00 -1.23 -1.08 105.19 105.62 3a12 n GLY 393 Ca 0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.24 1.23 0.23 2.61 -1.04 -0.70 -4.51 114.28 110.86 3a12 n THR 394 Ca 0.10 0.09 0.08 0.00 -2.04 0.00 0.00 64.05 62.29 3a12 n THR 394 Cb 0.14 -1.93 0.56 0.00 -1.82 0.00 0.00 70.33 67.27 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 -0.59 0.00 -0.51 -4.42 4.07 -1.21 -2.77 115.31 109.88 3a12 h LEU 395 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3a12 h LEU 395 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 3a12 h LEU 395 CO -0.08 0.22 0.00 0.61 -1.08 0.00 0.00 178.44 178.10 3a12 n GLY 396 N -0.54 -0.37 3.73 0.83 0.00 -0.24 -4.31 105.19 104.29 3a12 n GLY 396 Ca -0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3a12 n GLY 396 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a12 n HIS 397 N -0.18 2.60 -0.04 1.61 -0.00 -1.04 -4.85 115.22 113.32 3a12 n HIS 397 Ca 0.09 0.42 0.20 0.00 -0.00 0.00 0.00 57.72 58.44 3a12 n HIS 397 Cb 0.15 -2.50 0.67 0.00 -0.00 0.00 0.00 29.99 28.30 3a12 n HIS 397 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3a12 h PRO 398 N 3.57 0.06 -0.66 1.57 0.11 -1.91 -0.46 132.00 134.28 3a12 h PRO 398 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3a12 h PRO 398 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a12 h PRO 398 CO 0.70 0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 3a12 n ASP 399 N -4.38 4.22 0.00 -2.05 8.00 -1.26 -5.08 116.55 116.00 3a12 n ASP 399 Ca 0.11 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.40 3a12 n ASP 399 Cb 0.62 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3a12 n ASP 399 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a12 n GLY 400 N 1.30 1.23 0.08 0.44 0.00 -0.18 -4.54 105.19 103.51 3a12 n GLY 400 Ca 0.24 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 0.17 -0.07 1.61 0.11 -1.78 -0.66 132.00 131.38 3a12 h PRO 401 Ca 0.00 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.14 3a12 h PRO 401 Cb 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.02 3a12 h PRO 401 CO 0.00 0.13 -0.27 0.00 -0.21 0.00 0.00 178.00 177.66 3a12 h ALA 402 N 1.02 -0.32 -0.45 -0.75 0.00 -1.87 0.48 119.26 117.37 3a12 h ALA 402 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 402 Cb 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3a12 h ALA 402 CO -0.01 -0.75 0.30 0.00 0.00 0.00 0.00 179.25 178.79 3a12 h ALA 403 N 0.49 1.80 -0.42 0.00 0.00 -1.78 -2.17 119.26 117.18 3a12 h ALA 403 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3a12 h ALA 403 Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3a12 h ALA 403 CO -0.28 0.15 0.25 0.78 0.00 0.00 0.00 179.25 180.14 3a12 h GLY 404 N 0.50 0.59 0.99 0.00 0.00 0.64 -1.17 103.07 104.61 3a12 h GLY 404 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3a12 h GLY 404 CO -0.04 0.16 0.26 0.00 0.00 0.00 0.00 176.54 176.91 3a12 h ALA 405 N 1.19 0.74 -0.61 3.60 0.00 -0.49 -2.12 119.26 121.57 3a12 h ALA 405 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 405 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3a12 h ALA 405 CO -0.08 0.33 0.30 0.00 0.00 0.00 0.00 179.25 179.80 3a12 h ARG 406 N 0.79 0.86 -0.49 0.00 3.08 -1.23 -1.72 114.38 115.67 3a12 h ARG 406 Ca 0.20 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3a12 h ARG 406 Cb 0.16 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3a12 h ARG 406 CO -0.02 0.67 0.14 0.00 -1.07 0.00 0.00 179.97 179.69 3a12 h ALA 407 N 1.46 0.64 -0.14 0.04 0.00 -0.84 -0.86 119.26 119.56 3a12 h ALA 407 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3a12 h ALA 407 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a12 h ALA 407 CO -0.03 0.31 0.06 0.28 0.00 0.00 0.00 179.25 179.87 3a12 h VAL 408 N 0.66 1.15 -0.75 0.00 2.07 -0.96 -0.25 116.25 118.17 3a12 h VAL 408 Ca 0.16 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3a12 h VAL 408 Cb 0.30 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3a12 h VAL 408 CO -0.00 0.14 0.46 0.03 0.02 0.00 0.00 177.57 178.22 3a12 h ARG 409 N 0.08 1.01 -0.11 1.57 2.47 -1.26 -0.26 114.38 117.88 3a12 h ARG 409 Ca 0.05 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3a12 h ARG 409 Cb 0.17 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3a12 h ARG 409 CO -0.00 0.70 0.03 1.96 0.56 0.00 0.00 179.97 183.22 3a12 h GLN 410 N 1.03 0.17 -0.93 0.04 4.20 -0.87 -0.68 115.11 118.06 3a12 h GLN 410 Ca 0.27 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.06 3a12 h GLN 410 Cb -0.06 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.61 3a12 h GLN 410 CO -0.05 0.31 0.57 0.00 -0.67 0.00 0.00 178.83 178.98 3a12 h ALA 411 N 0.85 1.38 -0.19 3.87 0.00 -0.65 -1.82 119.26 122.69 3a12 h ALA 411 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a12 h ALA 411 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a12 h ALA 411 CO -0.00 0.17 -0.05 0.82 0.00 0.00 0.00 179.25 180.19 3a12 h ILE 412 N 0.91 1.29 -0.68 0.00 2.04 -0.68 -1.02 117.51 119.36 3a12 h ILE 412 Ca 0.46 -1.05 0.12 0.00 1.00 0.00 0.00 64.86 65.39 3a12 h ILE 412 Cb 0.44 1.58 -0.09 0.00 -0.74 0.00 0.00 36.82 38.01 3a12 h ILE 412 CO -0.26 0.32 0.24 0.44 0.00 0.00 0.00 178.15 178.89 3a12 h ASP 413 N 0.09 0.20 -0.12 1.72 3.32 -0.76 -2.15 116.42 118.72 3a12 h ASP 413 Ca 0.05 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3a12 h ASP 413 Cb 0.51 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3a12 h ASP 413 CO 0.02 0.09 -0.03 0.00 -1.72 0.00 0.00 179.24 177.60 3a12 h ALA 414 N 1.50 0.16 -0.87 3.45 0.00 -1.16 -2.66 119.26 119.69 3a12 h ALA 414 Ca 0.36 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3a12 h ALA 414 Cb 0.52 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3a12 h ALA 414 CO -0.38 -0.09 0.57 0.82 0.00 0.00 0.00 179.25 180.16 3a12 h ILE 415 N -0.10 1.08 0.00 0.00 2.04 -1.00 0.32 117.51 119.85 3a12 h ILE 415 Ca 0.03 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 3a12 h ILE 415 Cb 0.46 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3a12 h ILE 415 CO 0.01 0.18 -0.52 0.24 0.00 0.00 0.00 178.15 178.07 3a12 h MET 416 N 1.00 0.00 0.04 2.37 2.86 -1.32 -2.87 114.93 117.01 3a12 h MET 416 Ca 0.36 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.78 3a12 h MET 416 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3a12 h MET 416 CO -0.13 0.52 -1.05 1.96 1.06 0.00 0.00 176.91 179.27 3a12 h GLN 417 N 0.00 0.09 0.00 1.72 4.20 -1.02 -3.48 115.11 116.63 3a12 h GLN 417 Ca -0.01 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3a12 h GLN 417 Cb 0.94 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3a12 h GLN 417 CO 0.07 1.05 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 3a12 n GLY 418 N 1.34 1.17 3.66 3.46 0.00 -0.01 -5.08 105.19 109.73 3a12 n GLY 418 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 4.76 0.26 -0.61 1.01 -0.52 -5.00 121.20 119.10 3a12 s ILE 419 Ca 0.00 1.85 -0.31 0.00 0.00 0.00 0.00 60.65 62.20 3a12 s ILE 419 Cb 0.00 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 38.11 3a12 s ILE 419 CO 0.00 -0.11 1.43 -2.65 0.00 0.00 0.00 174.94 173.61 3a12 n PRO 420 N 5.99 2.18 -0.09 2.79 -0.02 -1.26 -4.21 135.00 140.37 3a12 n PRO 420 Ca 0.09 0.77 0.02 0.00 -2.02 0.00 0.00 63.50 62.37 3a12 n PRO 420 Cb 0.47 -2.45 0.34 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.12 0.64 -1.10 2.45 3.38 -1.95 -1.35 115.31 121.50 3a12 h LEU 421 Ca -0.46 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3a12 h LEU 421 Cb 1.27 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 3a12 h LEU 421 CO 0.75 0.47 0.61 0.44 0.09 0.00 0.00 178.44 180.79 3a12 h ASP 422 N 0.76 1.01 0.07 -0.43 3.32 -2.00 0.12 116.42 119.27 3a12 h ASP 422 Ca 0.20 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a12 h ASP 422 Cb -0.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.23 3a12 h ASP 422 CO -0.04 0.70 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.82 3a12 h GLU 423 N 1.18 -0.09 -0.52 3.56 4.39 -1.70 -3.28 114.58 118.11 3a12 h GLU 423 Ca 0.36 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.19 3a12 h GLU 423 Cb -0.02 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3a12 h GLU 423 CO -0.10 0.44 0.36 -0.92 -1.16 0.00 0.00 179.01 177.63 3a12 h TYR 424 N -0.70 0.15 -0.10 4.33 3.20 -1.09 -2.01 116.97 120.75 3a12 h TYR 424 Ca -0.01 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3a12 h TYR 424 Cb 0.57 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3a12 h TYR 424 CO 0.11 0.07 -0.29 0.00 -1.64 0.00 0.00 178.16 176.41 3a12 h ALA 425 N 1.74 1.33 -0.68 1.82 0.00 -1.03 -3.00 119.26 119.44 3a12 h ALA 425 Ca 0.25 -0.31 0.20 0.00 0.00 0.00 0.00 54.91 55.04 3a12 h ALA 425 Cb 0.80 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3a12 h ALA 425 CO -0.03 0.46 0.51 0.87 0.00 0.00 0.00 179.25 181.06 3a12 h LYS 426 N 0.16 0.00 -0.09 0.00 1.57 -1.46 0.30 116.57 117.05 3a12 h LYS 426 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3a12 h LYS 426 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3a12 h LYS 426 CO 0.04 0.00 -0.06 0.25 -0.57 0.00 0.00 179.45 179.11 3a12 n THR 427 N -4.26 2.07 -3.53 -0.16 -2.24 -1.14 -4.89 114.28 100.14 3a12 n THR 427 Ca 0.13 -2.31 -0.28 0.00 -2.27 0.00 0.00 64.05 59.32 3a12 n THR 427 Cb 0.77 -0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 3a12 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a12 s HIS 428 N -2.93 0.24 0.11 4.78 3.76 0.09 -5.05 115.29 116.30 3a12 s HIS 428 Ca 0.36 -0.80 -0.28 0.00 -0.15 0.00 0.00 55.06 54.19 3a12 s HIS 428 Cb 0.31 -0.85 -0.08 0.00 1.11 0.00 0.00 32.58 33.07 3a12 s HIS 428 CO 0.03 -0.83 1.63 -0.22 -0.85 0.00 0.00 174.74 174.50 3a12 h LYS 429 N 8.40 -0.49 -0.61 1.40 1.63 -1.91 -1.60 116.57 123.39 3a12 h LYS 429 Ca -0.19 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.69 3a12 h LYS 429 Cb 1.02 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.71 3a12 h LYS 429 CO 0.43 -0.33 0.34 0.93 -3.45 0.00 0.00 179.45 177.37 3a12 h GLU 430 N -0.51 0.62 -0.66 1.90 3.07 -1.93 0.17 114.58 117.24 3a12 h GLU 430 Ca 0.03 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3a12 h GLU 430 Cb 0.54 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 3a12 h GLU 430 CO -0.17 0.41 0.36 1.25 -1.40 0.00 0.00 179.01 179.46 3a12 h LEU 431 N 0.64 0.82 -0.74 1.33 5.85 -1.79 -1.79 115.31 119.63 3a12 h LEU 431 Ca 0.27 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3a12 h LEU 431 Cb 0.15 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3a12 h LEU 431 CO -0.16 0.67 0.32 0.00 -0.34 0.00 0.00 178.44 178.93 3a12 h ALA 432 N 1.18 0.96 -0.43 1.25 0.00 -0.15 -0.19 119.26 121.88 3a12 h ALA 432 Ca 0.23 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 432 Cb 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3a12 h ALA 432 CO -0.04 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.81 3a12 h ARG 433 N 1.06 0.67 -0.13 0.00 2.47 -0.50 -0.33 114.38 117.62 3a12 h ARG 433 Ca 0.25 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3a12 h ARG 433 Cb 0.18 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3a12 h ARG 433 CO -0.02 0.66 -0.01 0.00 0.56 0.00 0.00 179.97 181.16 3a12 h ALA 434 N 1.41 0.17 0.00 0.04 0.00 -0.61 -2.37 119.26 117.90 3a12 h ALA 434 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 434 Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a12 h ALA 434 CO 0.01 -0.12 -0.04 -0.07 0.00 0.00 0.00 179.25 179.03 3a12 h LEU 435 N -0.05 0.00 -0.39 0.00 3.38 -0.80 -0.50 115.31 116.94 3a12 h LEU 435 Ca 0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3a12 h LEU 435 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a12 h LEU 435 CO 0.01 0.04 -0.47 -0.08 0.09 0.00 0.00 178.44 178.03 3a12 h GLU 436 N 0.00 0.85 0.05 1.13 4.81 -0.76 0.19 114.58 120.84 3a12 h GLU 436 Ca -0.00 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 3a12 h GLU 436 Cb 0.08 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3a12 h GLU 436 CO 0.01 1.13 -0.42 -0.22 -0.73 0.00 0.00 179.01 178.78 3a12 h LYS 437 N 0.67 0.20 0.00 1.92 3.64 -0.90 -3.40 116.57 118.70 3a12 h LYS 437 Ca 0.04 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3a12 h LYS 437 Cb 1.06 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3a12 h LYS 437 CO 0.11 1.07 -1.26 0.91 -2.27 0.00 0.00 179.45 178.01 3a12 n TRP 438 N -4.37 0.00 -2.74 1.91 8.01 -0.25 -5.07 117.44 114.93 3a12 n TRP 438 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 3a12 n TRP 438 Cb 0.63 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 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 1.63 3.11 0.81 6.99 0.00 0.66 -2.27 105.19 116.11 3a12 n GLY 439 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 14.00 0.68 -2.32 1.61 8.25 -1.26 -4.13 115.22 132.05 3a12 n HIS 440 Ca 0.00 -1.29 -0.38 0.00 -0.26 0.00 0.00 57.72 55.79 3a12 n HIS 440 Cb 0.00 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 3a12 n HIS 440 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3a12 s VAL 441 N -3.08 3.23 -0.44 1.59 -7.23 -0.96 -4.75 120.40 108.75 3a12 s VAL 441 Ca 0.41 0.98 -0.22 0.00 -1.81 0.00 0.00 61.98 61.34 3a12 s VAL 441 Cb 0.36 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 33.80 3a12 s VAL 441 CO 0.02 0.05 0.72 -0.89 -0.31 0.00 0.00 175.10 174.68 3a12 s THR 442 N -1.49 4.73 0.29 5.32 2.01 -1.26 -4.82 115.64 120.43 3a12 s THR 442 Ca 0.59 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.57 3a12 s THR 442 Cb -0.29 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 67.85 3a12 s THR 442 CO 0.36 -0.66 1.45 -2.84 -0.69 0.00 0.00 174.62 172.24 3a12 s PRO 443 N 3.06 4.23 0.00 4.92 0.02 -1.26 -4.99 135.00 140.98 3a12 s PRO 443 Ca 0.26 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3a12 s PRO 443 Cb -0.13 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3a12 s PRO 443 CO 0.21 -0.44 0.19 0.28 -0.33 0.00 0.00 177.00 176.91