#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a13 n TYR 9 N 0.00 0.00 0.26 9.51 4.01 -1.26 -4.55 117.16 125.13 3a13 n TYR 9 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 3a13 n TYR 9 Cb 0.00 0.00 0.89 0.00 -0.31 0.00 0.00 39.34 39.92 3a13 n TYR 9 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3a13 h ASP 10 N 0.00 0.00 -0.38 7.72 5.19 -1.93 -1.78 116.42 125.24 3a13 h ASP 10 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 3a13 h ASP 10 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3a13 h ASP 10 CO 0.00 0.00 -0.11 0.22 -3.12 0.00 0.00 179.24 176.23 3a13 h TYR 11 N 0.00 0.92 -0.00 4.55 3.20 -1.98 -3.01 116.97 120.65 3a13 h TYR 11 Ca 0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3a13 h TYR 11 Cb 0.03 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3a13 h TYR 11 CO 0.00 0.90 -0.05 0.66 -1.64 0.00 0.00 178.16 178.02 3a13 n TYR 12 N -4.16 0.00 -3.93 -3.82 4.01 -0.67 -4.73 117.16 103.86 3a13 n TYR 12 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.41 3a13 n TYR 12 Cb 0.38 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.21 3a13 n TYR 12 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a13 s VAL 13 N -2.26 4.97 -0.40 -0.72 1.01 -1.14 -0.75 120.40 121.10 3a13 s VAL 13 Ca 0.36 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3a13 s VAL 13 Cb 0.21 -3.24 0.17 0.00 0.00 0.00 0.00 36.38 33.52 3a13 s VAL 13 CO 0.42 0.46 0.57 -0.62 0.00 0.00 0.00 175.10 175.94 3a13 s ASP 14 N 0.30 -0.93 0.00 3.32 -1.08 0.02 -4.93 116.67 113.37 3a13 s ASP 14 Ca 0.05 -0.98 0.16 0.00 -0.52 0.00 0.00 52.55 51.26 3a13 s ASP 14 Cb -0.12 1.65 0.74 0.00 -1.46 0.00 0.00 42.92 43.73 3a13 s ASP 14 CO -0.00 -0.19 1.50 0.29 0.52 0.00 0.00 175.17 177.29 3a13 n LYS 15 N 4.35 0.09 0.09 4.34 5.02 -1.26 -2.31 118.16 128.48 3a13 n LYS 15 Ca 0.11 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.71 3a13 n LYS 15 Cb 0.54 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.17 3a13 n LYS 15 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3a13 h GLY 16 N 2.75 0.00 -4.31 0.72 0.00 -1.92 -3.46 103.07 96.84 3a13 h GLY 16 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3a13 h GLY 16 CO 0.00 0.00 0.72 -0.47 0.00 0.00 0.00 176.54 176.79 3a13 s TYR 17 N -3.23 3.16 -0.22 5.60 5.04 -0.98 -5.01 117.35 121.71 3a13 s TYR 17 Ca 0.04 1.07 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 3a13 s TYR 17 Cb 0.11 -3.71 0.01 0.00 0.35 0.00 0.00 41.96 38.72 3a13 s TYR 17 CO 0.74 -2.34 -0.08 -1.83 -1.34 0.00 0.00 175.55 170.70 3a13 s GLU 18 N 0.05 3.16 0.60 4.97 -1.05 -1.26 -4.89 118.70 120.28 3a13 s GLU 18 Ca 0.60 -0.76 -0.18 0.00 -0.15 0.00 0.00 54.97 54.48 3a13 s GLU 18 Cb -0.39 -2.92 -0.03 0.00 -0.44 0.00 0.00 34.13 30.35 3a13 s GLU 18 CO 0.38 -0.25 1.17 -1.25 0.95 0.00 0.00 175.26 176.26 3a13 s PRO 19 N 1.40 3.00 -0.22 -4.83 0.04 -1.26 -4.97 135.00 128.16 3a13 s PRO 19 Ca 0.04 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.58 3a13 s PRO 19 Cb -0.15 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3a13 s PRO 19 CO -0.06 -1.15 0.54 0.45 0.04 0.00 0.00 177.00 176.83 3a13 s SER 20 N -1.84 6.53 0.41 6.66 0.15 -1.26 -4.96 113.70 119.39 3a13 s SER 20 Ca 0.74 0.65 0.08 0.00 0.70 0.00 0.00 55.95 58.12 3a13 s SER 20 Cb -0.27 -2.30 0.86 0.00 -1.71 0.00 0.00 66.02 62.61 3a13 s SER 20 CO 0.33 -0.24 2.01 0.11 1.20 0.00 0.00 173.24 176.65 3a13 h LYS 21 N 7.68 0.40 0.00 5.44 1.57 -1.93 0.73 116.57 130.46 3a13 h LYS 21 Ca -0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3a13 h LYS 21 Cb 1.15 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3a13 h LYS 21 CO 0.74 0.34 -0.94 1.63 -0.57 0.00 0.00 179.45 180.65 3a13 n LYS 22 N -4.41 0.45 -0.01 3.15 4.76 -1.26 -4.48 118.16 116.35 3a13 n LYS 22 Ca 0.01 0.07 0.01 0.00 -2.87 0.00 0.00 58.31 55.53 3a13 n LYS 22 Cb 0.14 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 3a13 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a13 n ARG 23 N -2.34 1.28 -4.24 1.97 1.74 -1.05 -4.61 116.66 109.41 3a13 n ARG 23 Ca 0.01 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 3a13 n ARG 23 Cb 0.49 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 30.74 3a13 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a13 s ASP 24 N -2.85 5.48 0.02 0.55 1.01 0.23 -1.40 116.67 119.70 3a13 s ASP 24 Ca -0.02 0.19 -0.20 0.00 0.71 0.00 0.00 52.55 53.23 3a13 s ASP 24 Cb 0.02 -1.65 -0.06 0.00 1.01 0.00 0.00 42.92 42.24 3a13 s ASP 24 CO 0.17 0.36 0.58 -0.63 0.21 0.00 0.00 175.17 175.86 3a13 s ILE 25 N -0.73 4.85 -0.18 0.77 1.01 0.12 -4.07 121.20 122.97 3a13 s ILE 25 Ca 0.12 1.21 0.01 0.00 0.00 0.00 0.00 60.65 61.99 3a13 s ILE 25 Cb -0.12 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.46 3a13 s ILE 25 CO 0.02 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.61 3a13 s ILE 26 N -0.54 2.04 -0.22 2.92 1.01 -0.93 -0.25 121.20 125.23 3a13 s ILE 26 Ca 0.30 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3a13 s ILE 26 Cb -0.19 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3a13 s ILE 26 CO 0.18 0.54 0.31 0.00 0.00 0.00 0.00 174.94 175.97 3a13 s ALA 27 N 1.29 3.58 -0.28 9.38 0.00 -0.35 -0.09 121.76 135.30 3a13 s ALA 27 Ca 0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 3a13 s ALA 27 Cb -0.13 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 3a13 s ALA 27 CO -0.13 -0.29 0.18 0.08 0.00 0.00 0.00 175.76 175.60 3a13 s VAL 28 N 1.27 5.21 0.03 0.00 1.01 -0.38 -1.44 120.40 126.10 3a13 s VAL 28 Ca 0.15 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.33 3a13 s VAL 28 Cb -0.14 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3a13 s VAL 28 CO 0.07 0.26 -0.18 -0.36 0.00 0.00 0.00 175.10 174.89 3a13 s PHE 29 N 1.72 2.56 -0.43 5.22 0.08 -0.02 0.15 117.98 127.27 3a13 s PHE 29 Ca 0.07 -0.25 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 3a13 s PHE 29 Cb -0.16 -1.48 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3a13 s PHE 29 CO 0.10 0.24 0.38 0.50 -0.10 0.00 0.00 175.22 176.34 3a13 s ARG 30 N -1.35 3.02 -0.16 0.44 3.52 0.15 -0.43 118.95 124.14 3a13 s ARG 30 Ca 0.14 -1.01 -0.06 0.00 -0.13 0.00 0.00 55.73 54.67 3a13 s ARG 30 Cb -0.10 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 3a13 s ARG 30 CO 0.05 -0.87 0.03 0.08 -0.81 0.00 0.00 175.30 173.78 3a13 s VAL 31 N 1.86 4.55 -0.25 7.11 1.01 0.13 -1.15 120.40 133.66 3a13 s VAL 31 Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3a13 s VAL 31 Cb -0.20 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3a13 s VAL 31 CO 0.10 0.49 -0.11 -0.89 0.00 0.00 0.00 175.10 174.70 3a13 s THR 32 N 0.16 2.33 0.78 3.92 2.01 -0.11 -0.52 115.64 124.21 3a13 s THR 32 Ca 0.03 -1.39 -0.12 0.00 0.31 0.00 0.00 61.69 60.52 3a13 s THR 32 Cb -0.13 -2.27 0.07 0.00 0.01 0.00 0.00 72.50 70.19 3a13 s THR 32 CO 0.01 0.11 1.14 -2.84 -0.69 0.00 0.00 174.62 172.35 3a13 s PRO 33 N 1.18 1.96 0.41 4.92 0.02 -1.26 -0.15 135.00 142.09 3a13 s PRO 33 Ca -0.05 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.22 3a13 s PRO 33 Cb -0.18 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 3a13 s PRO 33 CO -0.06 -1.91 0.95 0.00 -0.33 0.00 0.00 177.00 175.65 3a13 s ALA 34 N -2.51 3.06 -0.12 -1.55 0.00 -0.67 -3.78 121.76 116.21 3a13 s ALA 34 Ca 0.67 0.42 -0.39 0.00 0.00 0.00 0.00 51.96 52.66 3a13 s ALA 34 Cb -0.22 -3.16 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 3a13 s ALA 34 CO 0.51 0.13 1.52 -1.91 0.00 0.00 0.00 175.76 176.01 3a13 n GLU 35 N -0.46 1.01 -0.09 0.00 4.07 -1.26 -1.86 120.64 122.06 3a13 n GLU 35 Ca 0.06 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 3a13 n GLU 35 Cb 0.53 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 3a13 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a13 n GLY 36 N 3.28 0.95 2.92 8.31 0.00 -1.26 -5.08 105.19 114.32 3a13 n GLY 36 Ca 0.23 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3a13 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a13 s TYR 37 N -2.00 0.22 0.75 1.61 2.02 -0.78 -5.16 117.35 114.02 3a13 s TYR 37 Ca 0.00 -0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 3a13 s TYR 37 Cb 0.00 -0.14 0.04 0.00 -0.40 0.00 0.00 41.96 41.46 3a13 s TYR 37 CO 0.00 -0.03 1.10 0.95 -1.57 0.00 0.00 175.55 176.00 3a13 s THR 38 N -0.30 3.19 0.33 -0.71 -4.23 -1.26 -4.68 115.64 107.98 3a13 s THR 38 Ca -0.02 0.39 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 3a13 s THR 38 Cb -0.02 -3.28 0.11 0.00 1.34 0.00 0.00 72.50 70.65 3a13 s THR 38 CO -0.00 -0.50 1.81 -0.29 -0.54 0.00 0.00 174.62 175.10 3a13 h ILE 39 N -0.87 1.23 -0.67 2.99 6.09 -1.98 -1.32 117.51 122.97 3a13 h ILE 39 Ca -0.46 -1.06 -0.07 0.00 -1.37 0.00 0.00 64.86 61.91 3a13 h ILE 39 Cb 1.27 1.28 -0.03 0.00 0.47 0.00 0.00 36.82 39.81 3a13 h ILE 39 CO 0.62 0.33 0.16 -0.33 -3.07 0.00 0.00 178.15 175.86 3a13 h GLU 40 N 0.33 1.08 -0.08 2.19 3.07 -1.98 0.35 114.58 119.55 3a13 h GLU 40 Ca 0.06 -0.26 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 3a13 h GLU 40 Cb 0.53 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3a13 h GLU 40 CO 0.03 0.97 -0.39 1.96 -1.40 0.00 0.00 179.01 180.18 3a13 h GLN 41 N 1.01 0.16 -0.01 2.33 4.20 -1.87 -0.18 115.11 120.76 3a13 h GLN 41 Ca 0.21 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3a13 h GLN 41 Cb 0.38 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3a13 h GLN 41 CO 0.00 0.53 -0.12 0.00 -0.67 0.00 0.00 178.83 178.57 3a13 h ALA 42 N 1.46 0.02 -0.94 3.87 0.00 -0.86 -2.86 119.26 119.95 3a13 h ALA 42 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3a13 h ALA 42 Cb 0.76 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3a13 h ALA 42 CO 0.06 -0.02 0.61 0.00 0.00 0.00 0.00 179.25 179.90 3a13 h ALA 43 N 0.26 1.30 -0.33 0.00 0.00 -0.32 -1.91 119.26 118.27 3a13 h ALA 43 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a13 h ALA 43 Cb 0.87 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3a13 h ALA 43 CO 0.02 0.63 0.17 0.78 0.00 0.00 0.00 179.25 180.86 3a13 h GLY 44 N 1.29 0.51 1.26 0.00 0.00 -1.08 -0.78 103.07 104.26 3a13 h GLY 44 Ca 0.34 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3a13 h GLY 44 CO -0.07 0.23 0.15 0.00 0.00 0.00 0.00 176.54 176.85 3a13 h ALA 45 N 1.03 1.14 -0.15 3.60 0.00 -1.26 -1.01 119.26 122.60 3a13 h ALA 45 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3a13 h ALA 45 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a13 h ALA 45 CO -0.02 0.58 0.01 0.28 0.00 0.00 0.00 179.25 180.11 3a13 h VAL 46 N 0.89 1.24 -0.66 0.00 2.07 -0.91 -1.42 116.25 117.46 3a13 h VAL 46 Ca 0.19 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3a13 h VAL 46 Cb 0.32 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3a13 h VAL 46 CO -0.00 0.23 0.26 0.00 0.02 0.00 0.00 177.57 178.09 3a13 h ALA 47 N 0.78 1.22 -0.19 1.67 0.00 -1.01 -2.24 119.26 119.50 3a13 h ALA 47 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 47 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a13 h ALA 47 CO 0.01 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3a13 h ALA 48 N 1.34 0.25 0.00 0.00 0.00 -1.04 -2.73 119.26 117.08 3a13 h ALA 48 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a13 h ALA 48 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a13 h ALA 48 CO -0.02 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.18 3a13 h GLU 49 N 0.07 0.00 -0.24 0.00 4.39 -1.15 -1.43 114.58 116.22 3a13 h GLU 49 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3a13 h GLU 49 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3a13 h GLU 49 CO 0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.74 3a13 n SER 50 N -2.53 3.10 0.00 1.42 3.41 -0.85 -4.84 113.62 113.33 3a13 n SER 50 Ca 0.03 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3a13 n SER 50 Cb 0.32 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3a13 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a13 n SER 51 N 1.31 0.00 -0.66 4.04 3.41 -0.94 -4.60 113.62 116.18 3a13 n SER 51 Ca 0.17 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.85 3a13 n SER 51 Cb 0.57 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.71 3a13 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a13 n THR 52 N 0.00 1.62 -2.17 6.66 -2.24 -1.12 -5.04 114.28 111.99 3a13 n THR 52 Ca 0.00 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 3a13 n THR 52 Cb 0.00 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3a13 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a13 n GLY 53 N -0.15 3.72 3.73 3.38 0.00 -0.58 -5.07 105.19 110.23 3a13 n GLY 53 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3a13 n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a13 s THR 54 N 1.83 0.00 -0.63 2.61 2.01 -1.26 -4.91 115.64 115.29 3a13 s THR 54 Ca 0.00 -0.36 0.25 0.00 0.31 0.00 0.00 61.69 61.89 3a13 s THR 54 Cb 0.00 -2.25 0.13 0.00 0.01 0.00 0.00 72.50 70.39 3a13 s THR 54 CO 0.00 0.00 1.45 4.11 -0.69 0.00 0.00 174.62 179.49 3a13 h TRP 55 N 2.00 0.00 -3.38 4.92 5.08 -2.01 -3.47 115.95 119.09 3a13 h TRP 55 Ca -0.28 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.33 3a13 h TRP 55 Cb 1.21 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.22 3a13 h TRP 55 CO 0.62 0.00 -0.66 -0.08 -1.28 0.00 0.00 178.44 177.04 3a13 s THR 56 N -3.16 1.00 0.42 0.12 -1.32 -1.26 -5.04 115.64 106.39 3a13 s THR 56 Ca 0.07 -2.03 -0.24 0.00 -1.21 0.00 0.00 61.69 58.28 3a13 s THR 56 Cb 0.12 -2.29 -0.08 0.00 -1.51 0.00 0.00 72.50 68.75 3a13 s THR 56 CO 0.69 -0.37 1.18 0.28 -2.21 0.00 0.00 174.62 174.19 3a13 s THR 57 N -3.45 3.09 0.00 5.08 -1.32 -1.26 -5.06 115.64 112.73 3a13 s THR 57 Ca 0.27 0.89 0.03 0.00 -1.21 0.00 0.00 61.69 61.67 3a13 s THR 57 Cb 0.05 -3.48 -0.01 0.00 -1.51 0.00 0.00 72.50 67.55 3a13 s THR 57 CO 0.08 0.05 -0.10 -1.48 -2.21 0.00 0.00 174.62 170.97 3a13 s LEU 58 N -2.67 2.06 0.98 9.08 2.34 -1.26 -5.15 118.68 124.06 3a13 s LEU 58 Ca 0.59 -0.24 -0.11 0.00 0.06 0.00 0.00 54.13 54.43 3a13 s LEU 58 Cb -0.31 -0.45 0.18 0.00 -0.56 0.00 0.00 46.19 45.05 3a13 s LEU 58 CO 0.38 0.07 1.11 -0.47 -1.06 0.00 0.00 176.35 176.38 3a13 s TYR 59 N -0.41 1.63 -0.24 3.48 6.14 -1.26 -4.99 117.35 121.70 3a13 s TYR 59 Ca 0.02 1.58 -0.14 0.00 0.64 0.00 0.00 57.07 59.17 3a13 s TYR 59 Cb -0.05 -3.25 -0.04 0.00 0.42 0.00 0.00 41.96 39.05 3a13 s TYR 59 CO -0.00 -3.03 0.34 -1.25 0.64 0.00 0.00 175.55 172.25 3a13 s PRO 60 N -4.63 4.09 0.00 4.97 0.04 -1.26 -4.89 135.00 133.32 3a13 s PRO 60 Ca 0.67 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3a13 s PRO 60 Cb -0.23 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3a13 s PRO 60 CO 0.60 -0.12 0.57 -2.67 0.04 0.00 0.00 177.00 175.42 3a13 n TRP 61 N 4.79 0.00 -4.21 0.56 4.27 -1.26 -5.07 117.44 116.52 3a13 n TRP 61 Ca -0.10 -0.11 -0.12 0.00 -3.89 0.00 0.00 57.50 53.28 3a13 n TRP 61 Cb 0.51 -0.01 -0.10 0.00 -1.36 0.00 0.00 31.31 30.35 3a13 n TRP 61 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 3a13 s TYR 62 N -0.23 1.06 -0.21 -2.67 -0.85 -1.26 -5.09 117.35 108.10 3a13 s TYR 62 Ca 0.00 -1.00 -0.29 0.00 -0.52 0.00 0.00 57.07 55.27 3a13 s TYR 62 Cb 0.00 -0.61 -0.03 0.00 0.38 0.00 0.00 41.96 41.70 3a13 s TYR 62 CO 0.00 -0.21 1.72 -2.00 -1.52 0.00 0.00 175.55 173.54 3a13 s GLU 63 N -3.89 3.71 0.36 -3.49 2.12 -1.26 -4.88 118.70 111.36 3a13 s GLU 63 Ca 0.19 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.31 3a13 s GLU 63 Cb 0.06 -4.10 0.68 0.00 0.26 0.00 0.00 34.13 31.03 3a13 s GLU 63 CO 0.00 -1.41 2.00 0.37 -0.54 0.00 0.00 175.26 175.69 3a13 h GLN 64 N 11.37 0.79 -0.49 4.30 5.75 -1.99 -2.79 115.11 132.05 3a13 h GLN 64 Ca -0.36 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 57.98 3a13 h GLN 64 Cb 1.17 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 3a13 h GLN 64 CO 1.00 0.52 -0.16 1.49 -2.65 0.00 0.00 178.83 179.03 3a13 h GLU 65 N 0.81 0.95 -0.24 1.69 4.57 -1.99 -1.13 114.58 119.24 3a13 h GLU 65 Ca 0.25 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3a13 h GLU 65 Cb -0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3a13 h GLU 65 CO -0.06 1.04 -0.06 -0.09 -1.18 0.00 0.00 179.01 178.66 3a13 h ARG 66 N 0.84 0.46 -0.04 1.92 2.43 -1.92 -1.50 114.38 116.57 3a13 h ARG 66 Ca 0.12 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3a13 h ARG 66 Cb 0.72 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3a13 h ARG 66 CO 0.05 0.69 -0.13 2.35 -1.51 0.00 0.00 179.97 181.43 3a13 h TRP 67 N 0.20 -0.33 -0.18 2.20 7.01 -1.36 -2.29 115.95 121.19 3a13 h TRP 67 Ca 0.06 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.02 3a13 h TRP 67 Cb 0.52 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 3a13 h TRP 67 CO 0.05 -0.19 -0.12 0.00 -2.79 0.00 0.00 178.44 175.38 3a13 h ALA 68 N 0.80 1.46 0.00 2.65 0.00 -1.16 -2.12 119.26 120.89 3a13 h ALA 68 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 68 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a13 h ALA 68 CO -0.16 0.38 0.00 0.22 0.00 0.00 0.00 179.25 179.69 3a13 h ASP 69 N 0.28 0.00 -0.02 0.00 3.58 -0.72 -3.06 116.42 116.48 3a13 h ASP 69 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3a13 h ASP 69 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3a13 h ASP 69 CO 0.02 0.00 -0.21 0.18 -2.88 0.00 0.00 179.24 176.35 3a13 n LEU 70 N -3.01 1.96 -4.77 2.28 4.77 -0.81 -4.88 117.00 112.54 3a13 n LEU 70 Ca -0.00 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.73 3a13 n LEU 70 Cb 0.25 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3a13 n LEU 70 CO 0.25 0.36 0.80 -0.44 -1.33 0.00 0.00 177.39 177.03 3a13 s SER 71 N -1.75 6.94 0.64 -1.43 0.01 -1.14 -4.74 113.70 112.22 3a13 s SER 71 Ca 0.16 2.26 -0.11 0.00 1.31 0.00 0.00 55.95 59.57 3a13 s SER 71 Cb 0.14 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 3a13 s SER 71 CO 0.34 -0.38 1.04 0.00 0.41 0.00 0.00 173.24 174.65 3a13 s ALA 72 N -1.34 3.00 -0.10 1.44 0.00 -1.26 -4.75 121.76 118.76 3a13 s ALA 72 Ca 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 3a13 s ALA 72 Cb -0.30 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3a13 s ALA 72 CO 0.38 -0.82 -0.07 0.15 0.00 0.00 0.00 175.76 175.40 3a13 s LYS 73 N -5.16 1.41 -0.29 0.00 -0.14 -0.12 -4.72 119.74 110.71 3a13 s LYS 73 Ca 0.56 -0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 54.65 3a13 s LYS 73 Cb -0.12 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.58 3a13 s LYS 73 CO 0.54 -0.22 1.26 0.00 -0.76 0.00 0.00 175.35 176.17 3a13 s ALA 74 N 1.56 3.41 0.00 5.17 0.00 0.07 -0.25 121.76 131.72 3a13 s ALA 74 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3a13 s ALA 74 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.24 3a13 s ALA 74 CO -0.06 -1.68 0.00 2.48 0.00 0.00 0.00 175.76 176.50 3a13 n TYR 75 N 7.42 0.00 -3.76 0.00 0.18 -0.51 -0.80 117.16 119.69 3a13 n TYR 75 Ca 0.14 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.73 3a13 n TYR 75 Cb 0.47 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.25 3a13 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a13 s ASP 76 N -0.90 0.90 -0.18 9.48 2.15 -1.21 -4.39 116.67 122.52 3a13 s ASP 76 Ca 0.00 0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.01 3a13 s ASP 76 Cb 0.00 -0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.45 3a13 s ASP 76 CO 0.00 -0.19 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.29 3a13 s PHE 77 N 1.72 2.53 -0.20 -5.34 0.08 -1.26 -0.70 117.98 114.81 3a13 s PHE 77 Ca -0.00 -1.53 0.01 0.00 0.12 0.00 0.00 56.93 55.52 3a13 s PHE 77 Cb -0.13 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 3a13 s PHE 77 CO -0.03 -0.75 -0.17 -1.58 -0.10 0.00 0.00 175.22 172.59 3a13 s HIS 78 N 1.37 2.88 0.01 0.36 5.65 -0.05 -4.99 115.29 120.51 3a13 s HIS 78 Ca 0.03 -1.67 -0.30 0.00 0.25 0.00 0.00 55.06 53.37 3a13 s HIS 78 Cb -0.14 -1.95 -0.06 0.00 -1.18 0.00 0.00 32.58 29.25 3a13 s HIS 78 CO -0.11 -0.79 1.46 0.34 -0.65 0.00 0.00 174.74 174.99 3a13 s ASP 79 N 1.28 6.79 0.17 9.88 2.15 -1.26 -1.09 116.67 134.59 3a13 s ASP 79 Ca 0.03 2.20 0.25 0.00 0.43 0.00 0.00 52.55 55.46 3a13 s ASP 79 Cb -0.14 -2.56 0.64 0.00 -0.30 0.00 0.00 42.92 40.56 3a13 s ASP 79 CO -0.11 -0.76 1.60 0.23 -0.17 0.00 0.00 175.17 175.96 3a13 n MET 80 N 5.48 0.26 -1.52 4.34 2.81 -0.21 -4.93 117.12 123.35 3a13 n MET 80 Ca 0.14 0.16 -0.02 0.00 -1.81 0.00 0.00 57.70 56.16 3a13 n MET 80 Cb 0.43 -1.75 -0.01 0.00 -0.71 0.00 0.00 33.22 31.19 3a13 n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a13 n GLY 81 N 1.33 0.42 0.02 3.03 0.00 -1.25 -4.89 105.19 103.84 3a13 n GLY 81 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3a13 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a13 n ASP 82 N 1.63 0.02 0.00 1.61 5.68 -1.26 -4.97 116.55 119.26 3a13 n ASP 82 Ca -0.02 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 3a13 n ASP 82 Cb 0.28 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3a13 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a13 n GLY 83 N -0.00 0.85 3.57 6.12 0.00 -1.26 -5.08 105.19 109.39 3a13 n GLY 83 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3a13 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a13 s SER 84 N -1.80 4.30 0.05 1.61 1.04 -1.26 -4.26 113.70 113.38 3a13 s SER 84 Ca 0.00 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 55.97 3a13 s SER 84 Cb 0.00 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.34 3a13 s SER 84 CO 0.00 0.13 -0.17 0.26 0.98 0.00 0.00 173.24 174.44 3a13 s TRP 85 N -1.54 1.47 -0.44 5.02 0.51 0.32 -1.04 118.94 123.23 3a13 s TRP 85 Ca 0.24 -0.37 -0.27 0.00 -2.12 0.00 0.00 56.10 53.58 3a13 s TRP 85 Cb -0.10 -0.87 0.03 0.00 -0.81 0.00 0.00 33.47 31.72 3a13 s TRP 85 CO 0.15 0.07 0.99 0.42 -0.51 0.00 0.00 176.95 178.06 3a13 s ILE 86 N -0.87 4.42 -0.17 2.03 -1.09 -0.25 0.17 121.20 125.44 3a13 s ILE 86 Ca 0.04 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 59.41 3a13 s ILE 86 Cb -0.08 -4.46 -0.02 0.00 -1.58 0.00 0.00 42.46 36.31 3a13 s ILE 86 CO 0.02 -0.82 -0.03 -0.69 -1.23 0.00 0.00 174.94 172.19 3a13 s VAL 87 N 3.89 3.83 -0.12 2.92 1.01 0.42 -0.87 120.40 131.48 3a13 s VAL 87 Ca 0.40 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3a13 s VAL 87 Cb -0.10 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 3a13 s VAL 87 CO 0.26 0.47 0.21 -0.13 0.00 0.00 0.00 175.10 175.91 3a13 s ARG 88 N 0.61 3.81 -0.04 2.72 0.52 0.12 -0.84 118.95 125.86 3a13 s ARG 88 Ca -0.02 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 3a13 s ARG 88 Cb -0.14 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.05 3a13 s ARG 88 CO 0.02 0.58 -0.12 0.42 0.02 0.00 0.00 175.30 176.23 3a13 s ILE 89 N -0.51 1.00 -0.10 1.52 1.01 -0.52 -1.42 121.20 122.17 3a13 s ILE 89 Ca 0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 3a13 s ILE 89 Cb -0.13 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 3a13 s ILE 89 CO 0.04 0.31 -0.09 0.00 0.00 0.00 0.00 174.94 175.20 3a13 s ALA 90 N 0.21 2.83 -0.06 9.38 0.00 0.65 -1.21 121.76 133.57 3a13 s ALA 90 Ca -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3a13 s ALA 90 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3a13 s ALA 90 CO 0.01 0.39 -0.16 0.71 0.00 0.00 0.00 175.76 176.71 3a13 s TYR 91 N -0.18 1.74 0.33 0.00 2.02 0.65 -0.94 117.35 120.98 3a13 s TYR 91 Ca 0.01 -0.61 -0.28 0.00 -0.37 0.00 0.00 57.07 55.83 3a13 s TYR 91 Cb -0.13 -1.21 -0.10 0.00 -0.40 0.00 0.00 41.96 40.12 3a13 s TYR 91 CO 0.03 -0.26 1.21 -1.25 -1.57 0.00 0.00 175.55 173.71 3a13 s PRO 92 N 0.37 4.37 0.38 -1.71 0.04 -1.26 0.12 135.00 137.31 3a13 s PRO 92 Ca -0.11 1.99 0.12 0.00 0.04 0.00 0.00 61.00 63.04 3a13 s PRO 92 Cb -0.15 -3.01 0.77 0.00 0.04 0.00 0.00 34.50 32.16 3a13 s PRO 92 CO 0.04 -0.09 1.86 0.27 0.04 0.00 0.00 177.00 179.12 3a13 h PHE 93 N 3.33 0.05 0.00 0.56 -5.15 -1.60 -1.99 116.94 112.14 3a13 h PHE 93 Ca -0.48 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 3a13 h PHE 93 Cb 1.22 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.38 3a13 h PHE 93 CO 0.57 0.35 0.00 -2.39 -2.00 0.00 0.00 178.31 174.83 3a13 n HIS 94 N -4.16 0.00 0.53 6.09 1.44 -1.26 -2.10 115.22 115.76 3a13 n HIS 94 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 3a13 n HIS 94 Cb 0.36 0.00 0.39 0.00 0.12 0.00 0.00 29.99 30.86 3a13 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a13 h ALA 95 N 2.94 1.00 -3.65 1.59 0.00 -1.70 -3.45 119.26 115.98 3a13 h ALA 95 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3a13 h ALA 95 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 3a13 h ALA 95 CO 0.00 0.00 -0.72 -0.06 0.00 0.00 0.00 179.25 178.47 3a13 s PHE 96 N -3.16 2.82 0.21 0.00 0.08 -0.89 -5.09 117.98 111.95 3a13 s PHE 96 Ca 0.09 -0.09 -0.32 0.00 0.12 0.00 0.00 56.93 56.73 3a13 s PHE 96 Cb 0.11 -1.56 -0.13 0.00 -0.57 0.00 0.00 43.02 40.86 3a13 s PHE 96 CO 0.59 0.36 1.53 -1.91 -0.10 0.00 0.00 175.22 175.69 3a13 n GLU 97 N 1.41 2.22 -1.73 0.44 2.13 -1.26 -4.93 120.64 118.92 3a13 n GLU 97 Ca -0.15 0.80 -0.41 0.00 0.66 0.00 0.00 57.16 58.06 3a13 n GLU 97 Cb 0.52 -2.53 0.01 0.00 0.27 0.00 0.00 31.44 29.71 3a13 n GLU 97 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a13 n GLU 98 N 2.84 2.19 -3.87 5.31 1.02 -1.26 -3.40 120.64 123.46 3a13 n GLU 98 Ca 0.14 0.77 -0.27 0.00 -0.02 0.00 0.00 57.16 57.79 3a13 n GLU 98 Cb 0.31 -2.51 0.02 0.00 -0.02 0.00 0.00 31.44 29.24 3a13 n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a13 n ALA 99 N -0.04 -1.68 -3.47 0.62 0.00 -1.26 -4.95 120.51 109.74 3a13 n ALA 99 Ca 0.05 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 3a13 n ALA 99 Cb 0.40 -2.94 -0.10 0.00 0.00 0.00 0.00 19.45 16.81 3a13 n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a13 n ASN 100 N -2.93 0.40 -0.10 0.00 2.85 -1.22 -4.99 115.26 109.27 3a13 n ASN 100 Ca -0.14 -2.60 -0.06 0.00 -0.11 0.00 0.00 54.58 51.66 3a13 n ASN 100 Cb 0.61 -0.60 0.01 0.00 1.24 0.00 0.00 39.78 41.04 3a13 n ASN 100 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3a13 h LEU 101 N 5.36 0.04 -1.25 1.20 5.85 -1.92 -0.82 115.31 123.77 3a13 h LEU 101 Ca 0.22 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.14 3a13 h LEU 101 Cb 0.87 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 3a13 h LEU 101 CO 0.46 0.06 0.58 -0.65 -0.34 0.00 0.00 178.44 178.55 3a13 h PRO 102 N 0.20 0.71 -0.36 5.25 0.11 -1.94 0.34 132.00 136.31 3a13 h PRO 102 Ca 0.16 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.08 3a13 h PRO 102 Cb 0.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3a13 h PRO 102 CO -0.20 0.47 -0.37 0.78 -0.21 0.00 0.00 178.00 178.46 3a13 h GLY 103 N 0.73 0.97 0.97 -0.55 0.00 -1.74 -1.93 103.07 101.51 3a13 h GLY 103 Ca 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3a13 h GLY 103 CO -0.22 0.90 0.03 -2.00 0.00 0.00 0.00 176.54 175.25 3a13 h LEU 104 N 0.69 0.05 -1.44 3.11 5.85 0.28 -2.74 115.31 121.10 3a13 h LEU 104 Ca 0.06 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.89 3a13 h LEU 104 Cb 0.96 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3a13 h LEU 104 CO 0.09 0.04 0.49 -0.07 -0.34 0.00 0.00 178.44 178.65 3a13 h LEU 105 N 0.07 0.55 -2.05 2.25 3.38 -0.27 -0.09 115.31 119.14 3a13 h LEU 105 Ca 0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a13 h LEU 105 Cb 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3a13 h LEU 105 CO -0.02 0.32 -0.04 0.00 0.09 0.00 0.00 178.44 178.79 3a13 h ALA 106 N 1.63 1.79 0.00 1.53 0.00 -1.04 -0.14 119.26 123.03 3a13 h ALA 106 Ca 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3a13 h ALA 106 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3a13 h ALA 106 CO -0.13 0.05 -0.01 0.77 0.00 0.00 0.00 179.25 179.93 3a13 h SER 107 N 0.00 0.00 -0.63 0.00 0.02 -0.99 -3.23 113.55 108.72 3a13 h SER 107 Ca -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3a13 h SER 107 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3a13 h SER 107 CO 0.01 0.58 0.00 2.30 -1.14 0.00 0.00 176.83 178.58 3a13 n ILE 108 N -4.75 1.03 -2.42 3.27 -6.64 -0.94 -4.20 119.36 104.71 3a13 n ILE 108 Ca -0.02 -0.90 -0.03 0.00 -1.77 0.00 0.00 62.75 60.03 3a13 n ILE 108 Cb 0.08 0.35 0.04 0.00 -1.44 0.00 0.00 39.64 38.67 3a13 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a13 n ALA 109 N 1.29 3.17 -2.49 -1.28 0.00 -0.07 -4.99 120.51 116.14 3a13 n ALA 109 Ca 0.22 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3a13 n ALA 109 Cb 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3a13 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a13 n GLY 110 N -0.75 1.20 0.31 0.00 0.00 -1.19 -4.78 105.19 99.98 3a13 n GLY 110 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.00 3a13 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3a13 h ASN 111 N 0.00 0.00 -0.34 1.61 2.35 -1.88 -3.01 115.58 114.30 3a13 h ASN 111 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3a13 h ASN 111 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3a13 h ASN 111 CO 0.00 0.00 0.27 0.16 -1.65 0.00 0.00 177.43 176.21 3a13 h ILE 112 N 0.00 0.73 0.00 2.81 3.07 -1.88 -0.52 117.51 121.72 3a13 h ILE 112 Ca 0.02 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.43 3a13 h ILE 112 Cb 0.11 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.47 3a13 h ILE 112 CO -0.00 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.84 3a13 h PHE 113 N 0.00 0.00 -0.07 0.16 0.04 -1.89 -3.04 116.94 112.14 3a13 h PHE 113 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3a13 h PHE 113 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 3a13 h PHE 113 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3a13 n GLY 114 N -0.62 1.56 3.77 -1.45 0.00 -0.21 -4.84 105.19 103.40 3a13 n GLY 114 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3a13 n GLY 114 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a13 s MET 115 N -0.76 4.31 0.17 1.61 -1.94 -1.15 -4.89 119.30 116.65 3a13 s MET 115 Ca 0.06 2.28 0.23 0.00 -1.71 0.00 0.00 55.69 56.55 3a13 s MET 115 Cb 0.03 -3.06 0.90 0.00 2.01 0.00 0.00 34.83 34.71 3a13 s MET 115 CO 0.05 -0.27 1.72 1.63 -0.01 0.00 0.00 175.02 178.13 3a13 n LYS 116 N 0.99 0.16 0.00 2.03 5.02 -1.26 -2.74 118.16 122.36 3a13 n LYS 116 Ca 0.01 0.28 0.14 0.00 -2.02 0.00 0.00 58.31 56.72 3a13 n LYS 116 Cb 0.41 -1.75 0.77 0.00 -0.02 0.00 0.00 35.03 34.44 3a13 n LYS 116 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3a13 n ARG 117 N -2.03 0.60 -4.51 1.97 0.63 -1.26 -4.68 116.66 107.38 3a13 n ARG 117 Ca 0.04 0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.78 3a13 n ARG 117 Cb 0.29 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.56 3a13 n ARG 117 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3a13 s VAL 118 N -2.35 1.01 -0.10 5.15 -7.23 -1.11 -1.67 120.40 114.11 3a13 s VAL 118 Ca 0.33 -0.65 0.15 0.00 -1.81 0.00 0.00 61.98 60.00 3a13 s VAL 118 Cb 0.19 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 36.17 3a13 s VAL 118 CO 0.39 0.21 1.04 0.50 -0.31 0.00 0.00 175.10 176.93 3a13 h LYS 119 N 5.61 0.00 -2.38 4.82 3.64 -0.64 -3.43 116.57 124.19 3a13 h LYS 119 Ca -0.34 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.96 3a13 h LYS 119 Cb 1.17 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.77 3a13 h LYS 119 CO 0.48 0.44 -0.03 0.20 -2.27 0.00 0.00 179.45 178.26 3a13 s GLY 120 N -4.71 -0.42 -0.19 5.01 0.00 -1.04 -5.00 107.32 100.97 3a13 s GLY 120 Ca -0.01 1.40 -0.04 0.00 0.00 0.00 0.00 44.72 46.07 3a13 s GLY 120 CO 0.79 1.16 0.19 -2.27 0.00 0.00 0.00 173.10 172.97 3a13 s LEU 121 N -0.15 -0.00 -0.20 0.66 2.96 -0.92 -0.93 118.68 120.09 3a13 s LEU 121 Ca -0.04 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3a13 s LEU 121 Cb -0.03 0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.89 3a13 s LEU 121 CO 0.03 -0.33 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.04 3a13 s ARG 122 N 2.28 3.32 -0.54 1.98 3.52 -0.30 -1.68 118.95 127.52 3a13 s ARG 122 Ca 0.06 -0.67 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 3a13 s ARG 122 Cb -0.16 -2.86 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 3a13 s ARG 122 CO -0.11 -0.12 1.37 -1.17 -0.81 0.00 0.00 175.30 174.47 3a13 s LEU 123 N 1.22 3.44 0.02 -0.88 2.96 -0.75 0.34 118.68 125.03 3a13 s LEU 123 Ca 0.02 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 3a13 s LEU 123 Cb -0.14 -3.14 -0.29 0.00 0.50 0.00 0.00 46.19 43.12 3a13 s LEU 123 CO -0.03 -1.63 0.92 -0.33 -1.32 0.00 0.00 176.35 173.96 3a13 h GLU 124 N 10.75 0.29 -3.08 1.98 4.39 -0.62 -0.67 114.58 127.63 3a13 h GLU 124 Ca -0.26 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 58.91 3a13 h GLU 124 Cb 1.09 0.19 -0.11 0.00 -0.10 0.00 0.00 28.75 29.81 3a13 h GLU 124 CO 1.17 1.19 0.16 0.34 -1.16 0.00 0.00 179.01 180.70 3a13 s ASP 125 N -7.10 -0.47 -0.19 1.42 -1.08 -1.10 -4.38 116.67 103.77 3a13 s ASP 125 Ca -0.08 -0.13 -0.04 0.00 -0.52 0.00 0.00 52.55 51.78 3a13 s ASP 125 Cb 0.06 0.59 0.06 0.00 -1.46 0.00 0.00 42.92 42.18 3a13 s ASP 125 CO 0.87 -0.99 0.06 -0.22 0.52 0.00 0.00 175.17 175.41 3a13 s LEU 126 N -2.78 0.78 -0.14 -1.34 2.96 -1.26 -1.25 118.68 115.65 3a13 s LEU 126 Ca 0.03 -0.75 -0.19 0.00 -0.22 0.00 0.00 54.13 53.00 3a13 s LEU 126 Cb -0.01 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 3a13 s LEU 126 CO -0.10 -0.33 0.54 -0.47 -1.32 0.00 0.00 176.35 174.66 3a13 s TYR 127 N 1.99 3.47 -0.17 5.38 5.04 0.88 -4.96 117.35 128.98 3a13 s TYR 127 Ca 0.01 0.91 -0.03 0.00 -2.44 0.00 0.00 57.07 55.52 3a13 s TYR 127 Cb -0.17 -2.64 -0.02 0.00 0.35 0.00 0.00 41.96 39.48 3a13 s TYR 127 CO -0.09 0.05 -0.05 -0.06 -1.34 0.00 0.00 175.55 174.05 3a13 s PHE 128 N 1.06 2.96 0.84 4.97 0.08 -1.26 -2.19 117.98 124.44 3a13 s PHE 128 Ca 0.27 -0.56 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 3a13 s PHE 128 Cb -0.16 -1.99 0.10 0.00 -0.57 0.00 0.00 43.02 40.40 3a13 s PHE 128 CO 0.11 -0.23 1.10 -1.25 -0.10 0.00 0.00 175.22 174.84 3a13 s PRO 129 N 0.73 1.71 0.40 0.24 0.04 -1.26 -4.69 135.00 132.17 3a13 s PRO 129 Ca -0.02 1.09 0.15 0.00 0.04 0.00 0.00 61.00 62.25 3a13 s PRO 129 Cb -0.15 -1.84 1.00 0.00 0.04 0.00 0.00 34.50 33.56 3a13 s PRO 129 CO 0.02 -2.00 1.87 1.49 0.04 0.00 0.00 177.00 178.42 3a13 h GLU 130 N -1.39 0.47 -0.75 4.56 4.81 -1.81 -0.52 114.58 119.95 3a13 h GLU 130 Ca -0.46 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3a13 h GLU 130 Cb 1.25 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 3a13 h GLU 130 CO 0.51 0.31 0.47 -0.22 -0.73 0.00 0.00 179.01 179.35 3a13 h LYS 131 N 0.48 0.87 -0.19 1.92 3.64 -1.91 0.69 116.57 122.08 3a13 h LYS 131 Ca 0.45 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.57 3a13 h LYS 131 Cb 0.98 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3a13 h LYS 131 CO -0.18 0.57 -0.69 -0.07 -2.27 0.00 0.00 179.45 176.82 3a13 h LEU 132 N 0.89 0.88 -0.55 5.20 4.07 -1.46 -3.07 115.31 121.27 3a13 h LEU 132 Ca 0.31 -0.54 0.08 0.00 0.08 0.00 0.00 57.88 57.81 3a13 h LEU 132 Cb 0.07 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 3a13 h LEU 132 CO -0.13 1.33 0.20 0.40 -1.08 0.00 0.00 178.44 179.16 3a13 h ILE 133 N 0.54 0.81 0.00 1.22 1.08 -0.69 -0.58 117.51 119.89 3a13 h ILE 133 Ca -0.03 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3a13 h ILE 133 Cb 1.30 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3a13 h ILE 133 CO 0.14 0.07 0.00 0.54 -0.69 0.00 0.00 178.15 178.21 3a13 n ARG 134 N -4.99 0.58 0.00 2.37 1.74 0.17 -1.74 116.66 114.80 3a13 n ARG 134 Ca 0.07 0.02 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 3a13 n ARG 134 Cb 0.23 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 30.82 3a13 n ARG 134 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a13 n GLU 135 N -1.05 0.77 -4.24 5.56 1.02 -0.22 -4.87 120.64 117.61 3a13 n GLU 135 Ca 0.14 -0.25 -0.23 0.00 -0.02 0.00 0.00 57.16 56.81 3a13 n GLU 135 Cb 0.09 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 3a13 n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3a13 s PHE 136 N -2.40 2.70 -0.15 -0.32 0.08 -0.71 -4.91 117.98 112.27 3a13 s PHE 136 Ca 0.31 -0.29 0.19 0.00 0.12 0.00 0.00 56.93 57.27 3a13 s PHE 136 Cb 0.20 -1.36 -0.28 0.00 -0.57 0.00 0.00 43.02 41.02 3a13 s PHE 136 CO 0.45 0.52 0.19 -0.25 -0.10 0.00 0.00 175.22 176.04 3a13 n ASP 137 N -0.98 0.03 -0.67 1.36 8.00 -1.25 -5.02 116.55 118.02 3a13 n ASP 137 Ca -0.05 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.48 3a13 n ASP 137 Cb 0.60 1.30 -0.01 0.00 -0.02 0.00 0.00 41.12 42.99 3a13 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a13 n GLY 138 N 1.61 -1.60 3.74 0.44 0.00 -0.15 -4.71 105.19 104.51 3a13 n GLY 138 Ca -0.24 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 3a13 n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a13 s PRO 139 N -0.53 4.22 0.32 1.61 0.02 -1.24 -4.26 135.00 135.15 3a13 s PRO 139 Ca 0.00 2.40 0.15 0.00 0.02 0.00 0.00 61.00 63.57 3a13 s PRO 139 Cb 0.00 -3.09 0.46 0.00 0.02 0.00 0.00 34.50 31.89 3a13 s PRO 139 CO 0.00 -0.51 1.64 0.00 -0.33 0.00 0.00 177.00 177.79 3a13 h ALA 140 N 5.26 0.91 0.00 -1.55 0.00 -1.88 -3.40 119.26 118.61 3a13 h ALA 140 Ca -0.46 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 3a13 h ALA 140 Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3a13 h ALA 140 CO 0.80 0.63 -1.09 1.19 0.00 0.00 0.00 179.25 180.78 3a13 n PHE 141 N -3.56 0.00 -2.84 0.00 3.72 -1.26 -4.95 117.46 108.57 3a13 n PHE 141 Ca -0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 3a13 n PHE 141 Cb 0.59 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3a13 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a13 n GLY 142 N 2.23 -1.58 0.24 1.37 0.00 -1.26 -0.88 105.19 105.31 3a13 n GLY 142 Ca -0.17 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.72 3a13 n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a13 h ILE 143 N -0.64 0.56 -0.04 -0.61 2.04 -1.06 -1.59 117.51 116.17 3a13 h ILE 143 Ca 0.01 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3a13 h ILE 143 Cb 0.63 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3a13 h ILE 143 CO 0.00 0.04 -0.42 1.05 0.00 0.00 0.00 178.15 178.82 3a13 h GLU 144 N 0.21 0.09 0.03 2.37 -0.00 -1.84 -0.34 114.58 115.09 3a13 h GLU 144 Ca 0.34 -0.04 -0.26 0.00 -0.00 0.00 0.00 59.36 59.40 3a13 h GLU 144 Cb 0.54 -0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.30 3a13 h GLU 144 CO -0.47 0.50 -1.05 0.78 -0.00 0.00 0.00 179.01 178.77 3a13 h GLY 145 N 1.27 0.59 0.52 1.06 0.00 -0.44 -2.37 103.07 103.70 3a13 h GLY 145 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 47.33 46.23 3a13 h GLY 145 CO 0.06 0.97 -0.01 -2.08 0.00 0.00 0.00 176.54 175.48 3a13 h VAL 146 N 0.28 1.33 -0.48 4.60 2.07 -1.12 0.62 116.25 123.55 3a13 h VAL 146 Ca -0.12 -1.11 0.10 0.00 0.82 0.00 0.00 66.70 66.39 3a13 h VAL 146 Cb 1.70 2.07 -0.09 0.00 -1.52 0.00 0.00 31.29 33.46 3a13 h VAL 146 CO 0.19 0.28 -0.06 0.03 0.02 0.00 0.00 177.57 178.03 3a13 h ARG 147 N -0.51 0.05 -0.44 1.57 3.08 -1.17 0.15 114.38 117.10 3a13 h ARG 147 Ca -0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3a13 h ARG 147 Cb 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3a13 h ARG 147 CO 0.00 0.03 -0.09 -0.22 -1.07 0.00 0.00 179.97 178.63 3a13 h LYS 148 N 0.05 0.78 0.12 0.04 3.64 -1.38 0.17 116.57 120.00 3a13 h LYS 148 Ca 0.24 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3a13 h LYS 148 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3a13 h LYS 148 CO -0.45 0.85 -0.10 1.98 -2.27 0.00 0.00 179.45 179.46 3a13 h MET 149 N 0.71 -0.23 -0.07 1.90 4.05 -0.05 -2.93 114.93 118.32 3a13 h MET 149 Ca 0.12 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3a13 h MET 149 Cb 0.56 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 3a13 h MET 149 CO 0.03 -0.15 0.00 1.28 0.23 0.00 0.00 176.91 178.30 3a13 n LEU 150 N -5.22 0.86 -4.19 3.39 4.77 0.45 -4.91 117.00 112.16 3a13 n LEU 150 Ca -0.08 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 3a13 n LEU 150 Cb 0.14 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3a13 n LEU 150 CO 0.32 0.17 -0.38 -0.62 -1.33 0.00 0.00 177.39 175.55 3a13 n GLU 151 N -0.24 -1.84 -3.94 3.23 1.02 0.48 -4.42 120.64 114.93 3a13 n GLU 151 Ca 0.17 0.21 -0.31 0.00 -0.02 0.00 0.00 57.16 57.21 3a13 n GLU 151 Cb 0.21 -3.97 -0.15 0.00 -0.02 0.00 0.00 31.44 27.51 3a13 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a13 s ILE 152 N -4.20 1.79 0.03 -3.67 1.01 -0.54 -4.97 121.20 110.65 3a13 s ILE 152 Ca 0.02 -1.83 -0.21 0.00 0.00 0.00 0.00 60.65 58.63 3a13 s ILE 152 Cb -0.01 -2.23 -0.16 0.00 0.01 0.00 0.00 42.46 40.07 3a13 s ILE 152 CO 0.96 -0.46 1.31 0.07 0.00 0.00 0.00 174.94 176.81 3a13 h LYS 153 N 7.81 0.34 0.00 2.79 5.09 -1.92 -3.43 116.57 127.23 3a13 h LYS 153 Ca -0.10 -0.19 0.00 0.00 0.09 0.00 0.00 60.65 60.44 3a13 h LYS 153 Cb 1.03 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.38 3a13 h LYS 153 CO 0.48 0.76 -0.58 -0.25 -2.09 0.00 0.00 179.45 177.78 3a13 n ASP 154 N -4.55 1.48 -4.78 7.07 8.00 -1.26 -5.09 116.55 117.43 3a13 n ASP 154 Ca -0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.12 3a13 n ASP 154 Cb 0.38 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.56 3a13 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a13 s ARG 155 N -1.73 2.43 0.61 -1.24 1.70 -1.26 -4.60 118.95 114.85 3a13 s ARG 155 Ca 0.00 1.14 -0.19 0.00 -0.47 0.00 0.00 55.73 56.20 3a13 s ARG 155 Cb 0.00 -1.92 -0.03 0.00 -0.57 0.00 0.00 34.95 32.44 3a13 s ARG 155 CO 0.00 -1.51 1.30 -2.30 -1.08 0.00 0.00 175.30 171.71 3a13 n PRO 156 N -3.38 1.30 -2.64 3.89 -0.02 -1.14 -4.86 135.00 128.17 3a13 n PRO 156 Ca 0.09 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 3a13 n PRO 156 Cb 0.53 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3a13 n PRO 156 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a13 s ILE 157 N -1.36 3.85 -0.03 4.25 -1.09 -0.69 -4.89 121.20 121.24 3a13 s ILE 157 Ca 0.79 1.78 0.05 0.00 -2.23 0.00 0.00 60.65 61.03 3a13 s ILE 157 Cb -0.40 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.38 3a13 s ILE 157 CO 0.44 0.36 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.87 3a13 s TYR 158 N -1.27 1.62 0.29 3.97 5.04 -1.26 0.15 117.35 125.89 3a13 s TYR 158 Ca 0.45 -0.40 -0.20 0.00 -2.44 0.00 0.00 57.07 54.48 3a13 s TYR 158 Cb -0.27 -1.08 0.04 0.00 0.35 0.00 0.00 41.96 41.01 3a13 s TYR 158 CO 0.34 -0.11 0.80 0.20 -1.34 0.00 0.00 175.55 175.44 3a13 s GLY 159 N -0.14 0.06 -0.02 8.97 0.00 -0.88 0.32 107.32 115.63 3a13 s GLY 159 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.34 3a13 s GLY 159 CO 0.01 0.02 -0.08 0.14 0.00 0.00 0.00 173.10 173.19 3a13 s VAL 160 N -3.18 0.67 -0.31 1.40 1.01 -0.60 -2.74 120.40 116.66 3a13 s VAL 160 Ca 0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3a13 s VAL 160 Cb -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3a13 s VAL 160 CO 0.08 0.22 0.39 -0.69 0.00 0.00 0.00 175.10 175.09 3a13 s VAL 161 N 0.22 5.15 0.13 2.92 1.01 -1.26 -4.49 120.40 124.06 3a13 s VAL 161 Ca -0.03 0.32 -0.34 0.00 0.00 0.00 0.00 61.98 61.92 3a13 s VAL 161 Cb -0.08 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3a13 s VAL 161 CO 0.00 -0.00 1.59 -2.65 0.00 0.00 0.00 175.10 174.04 3a13 n PRO 162 N 5.42 2.07 -4.98 2.72 -0.02 -1.26 -4.53 135.00 134.42 3a13 n PRO 162 Ca -0.08 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 3a13 n PRO 162 Cb 0.50 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 3a13 n PRO 162 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a13 s LYS 163 N 1.23 2.67 0.78 -0.52 -0.14 -1.26 -3.92 119.74 118.59 3a13 s LYS 163 Ca 0.81 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 54.54 3a13 s LYS 163 Cb -0.70 -2.36 0.07 0.00 -1.68 0.00 0.00 37.83 33.15 3a13 s LYS 163 CO 0.40 0.48 1.14 -2.14 -0.76 0.00 0.00 175.35 174.47 3a13 s PRO 164 N -0.37 1.94 0.15 -1.68 0.02 -1.26 -5.00 135.00 128.79 3a13 s PRO 164 Ca 0.03 1.48 -0.21 0.00 0.02 0.00 0.00 61.00 62.33 3a13 s PRO 164 Cb -0.12 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.58 3a13 s PRO 164 CO 0.02 -1.93 1.65 0.87 -0.33 0.00 0.00 177.00 177.29 3a13 h LYS 165 N -0.93 -0.16 -4.74 5.54 1.57 -1.96 -3.44 116.57 112.45 3a13 h LYS 165 Ca -0.45 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.05 3a13 h LYS 165 Cb 1.26 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.46 3a13 h LYS 165 CO 0.48 -0.11 -0.62 0.14 -0.57 0.00 0.00 179.45 178.78 3a13 s VAL 166 N -6.14 0.32 0.00 0.50 -7.23 -1.26 -4.67 120.40 101.91 3a13 s VAL 166 Ca -0.14 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 3a13 s VAL 166 Cb 0.12 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3a13 s VAL 166 CO 0.68 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 3a13 n GLY 167 N -0.36 0.91 3.68 2.32 0.00 -1.26 -5.10 105.19 105.38 3a13 n GLY 167 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3a13 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a13 s TYR 168 N -2.00 2.83 0.44 1.61 -0.85 -1.26 -5.09 117.35 113.04 3a13 s TYR 168 Ca 0.00 -0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.42 3a13 s TYR 168 Cb 0.00 -1.32 0.01 0.00 0.38 0.00 0.00 41.96 41.03 3a13 s TYR 168 CO 0.00 0.55 0.63 -1.54 -1.52 0.00 0.00 175.55 173.67 3a13 s SER 169 N -3.33 5.72 0.36 -0.18 1.04 -1.26 -4.62 113.70 111.43 3a13 s SER 169 Ca 0.30 0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.78 3a13 s SER 169 Cb -0.08 -1.20 0.69 0.00 0.10 0.00 0.00 66.02 65.53 3a13 s SER 169 CO 0.20 -0.74 1.98 -0.65 0.98 0.00 0.00 173.24 175.01 3a13 h PRO 170 N 0.48 0.64 -0.32 4.02 0.11 -1.97 -0.11 132.00 134.86 3a13 h PRO 170 Ca -0.44 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3a13 h PRO 170 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3a13 h PRO 170 CO 0.53 0.50 -0.28 0.93 -0.21 0.00 0.00 178.00 179.47 3a13 h GLU 171 N 0.64 0.75 0.00 1.05 3.07 -1.94 0.54 114.58 118.69 3a13 h GLU 171 Ca 0.16 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3a13 h GLU 171 Cb 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3a13 h GLU 171 CO -0.02 1.00 -0.00 0.93 -1.40 0.00 0.00 179.01 179.52 3a13 h GLU 172 N 0.51 -0.00 -0.82 2.33 5.08 -1.92 -2.90 114.58 116.85 3a13 h GLU 172 Ca 0.05 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.59 3a13 h GLU 172 Cb 0.85 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.99 3a13 h GLU 172 CO 0.07 0.23 0.33 0.35 -1.00 0.00 0.00 179.01 178.99 3a13 h PHE 173 N -0.24 0.55 -0.83 4.33 3.57 -0.94 -1.71 116.94 121.66 3a13 h PHE 173 Ca -0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 3a13 h PHE 173 Cb 0.24 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3a13 h PHE 173 CO 0.01 -0.00 0.54 1.49 -2.23 0.00 0.00 178.31 178.12 3a13 h GLU 174 N 0.41 0.83 0.15 1.11 4.81 -0.68 0.91 114.58 122.12 3a13 h GLU 174 Ca 0.48 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 3a13 h GLU 174 Cb 0.83 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3a13 h GLU 174 CO -0.48 0.55 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.06 3a13 h LYS 175 N 0.85 -0.20 -0.45 1.92 1.63 -1.29 -2.83 116.57 116.21 3a13 h LYS 175 Ca 0.37 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.25 3a13 h LYS 175 Cb 0.33 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 3a13 h LYS 175 CO -0.14 0.23 0.11 1.25 -3.45 0.00 0.00 179.45 177.45 3a13 h LEU 176 N -0.73 0.05 -0.29 5.20 5.85 -1.06 -0.59 115.31 123.74 3a13 h LEU 176 Ca -0.02 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3a13 h LEU 176 Cb 0.52 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3a13 h LEU 176 CO 0.03 0.06 0.15 0.00 -0.34 0.00 0.00 178.44 178.34 3a13 h ALA 177 N 1.33 0.37 -0.82 1.25 0.00 -0.93 0.90 119.26 121.37 3a13 h ALA 177 Ca 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3a13 h ALA 177 Cb 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3a13 h ALA 177 CO -0.27 -0.09 0.42 -0.92 0.00 0.00 0.00 179.25 178.39 3a13 h TYR 178 N 0.34 1.15 0.17 0.00 3.20 -1.21 0.45 116.97 121.08 3a13 h TYR 178 Ca 0.10 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3a13 h TYR 178 Cb 0.08 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3a13 h TYR 178 CO -0.03 0.82 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.80 3a13 h ASP 179 N 1.15 -0.19 -0.26 -2.11 3.32 -0.79 -1.97 116.42 115.58 3a13 h ASP 179 Ca 0.28 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3a13 h ASP 179 Cb 0.08 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3a13 h ASP 179 CO -0.04 0.00 0.09 -0.07 -1.72 0.00 0.00 179.24 177.51 3a13 h LEU 180 N -0.38 0.36 -1.22 1.55 3.38 -0.63 -2.25 115.31 116.12 3a13 h LEU 180 Ca -0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3a13 h LEU 180 Cb 0.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3a13 h LEU 180 CO 0.04 0.45 -0.32 -0.07 0.09 0.00 0.00 178.44 178.63 3a13 h LEU 181 N 0.25 0.11 -0.74 1.67 3.38 -0.98 -2.09 115.31 116.91 3a13 h LEU 181 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a13 h LEU 181 Cb 0.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3a13 h LEU 181 CO -0.00 0.43 -0.03 0.28 0.09 0.00 0.00 178.44 179.21 3a13 h SER 182 N 0.10 0.00 -0.54 -0.43 0.02 -1.05 -3.29 113.55 108.36 3a13 h SER 182 Ca 0.01 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.60 3a13 h SER 182 Cb 0.62 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.93 3a13 h SER 182 CO 0.05 0.03 -0.26 0.59 -1.14 0.00 0.00 176.83 176.10 3a13 n ASN 183 N -3.12 3.95 0.00 3.07 3.02 -0.87 -4.96 115.26 116.35 3a13 n ASN 183 Ca 0.02 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 3a13 n ASN 183 Cb 0.43 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3a13 n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a13 n GLY 184 N -0.95 3.43 3.53 7.41 0.00 -1.21 -2.79 105.19 114.60 3a13 n GLY 184 Ca 0.40 -1.02 -0.57 0.00 0.00 0.00 0.00 46.02 44.83 3a13 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a13 n ALA 185 N 0.00 -2.86 0.08 4.61 0.00 -0.83 -4.86 120.51 116.65 3a13 n ALA 185 Ca 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 53.44 53.96 3a13 n ALA 185 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 3a13 n ALA 185 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a13 h ASP 186 N 3.44 0.00 -5.01 0.00 3.32 -0.46 -3.41 116.42 114.29 3a13 h ASP 186 Ca -0.50 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 3a13 h ASP 186 Cb 1.40 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.81 3a13 h ASP 186 CO 0.69 0.91 0.13 -0.72 -1.72 0.00 0.00 179.24 178.52 3a13 s TYR 187 N -2.88 -0.49 0.00 4.55 -0.85 -1.19 -2.15 117.35 114.34 3a13 s TYR 187 Ca 0.01 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 3a13 s TYR 187 Cb 0.10 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.89 3a13 s TYR 187 CO 0.81 -0.74 0.00 -1.33 -1.52 0.00 0.00 175.55 172.77 3a13 n MET 188 N 0.05 1.83 -4.92 -3.49 2.81 -0.96 -1.55 117.12 110.89 3a13 n MET 188 Ca -0.18 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.39 3a13 n MET 188 Cb 0.62 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 33.00 3a13 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a13 s ASP 190 N -0.98 3.92 0.74 7.83 1.01 -0.73 -0.73 116.67 127.73 3a13 s ASP 190 Ca 0.00 -0.25 -0.14 0.00 0.71 0.00 0.00 52.55 52.86 3a13 s ASP 190 Cb 0.00 -0.95 0.04 0.00 1.01 0.00 0.00 42.92 43.02 3a13 s ASP 190 CO 0.00 0.31 1.19 -0.62 0.21 0.00 0.00 175.17 176.25 3a13 s ASP 191 N -0.50 4.20 0.53 0.27 -1.08 -1.26 -4.82 116.67 114.01 3a13 s ASP 191 Ca 0.07 2.28 0.31 0.00 -0.52 0.00 0.00 52.55 54.69 3a13 s ASP 191 Cb -0.12 -2.58 1.42 0.00 -1.46 0.00 0.00 42.92 40.18 3a13 s ASP 191 CO 0.01 -2.25 2.02 1.05 0.52 0.00 0.00 175.17 176.52 3a13 h GLU 192 N -0.42 0.00 -0.34 4.34 9.09 -2.00 -1.42 114.58 123.82 3a13 h GLU 192 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3a13 h GLU 192 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3a13 h GLU 192 CO 0.50 0.10 0.00 0.27 0.05 0.00 0.00 179.01 179.92 3a13 n ASN 193 N -3.35 3.29 -4.57 3.06 6.94 -1.26 -4.86 115.26 114.52 3a13 n ASN 193 Ca -0.01 -1.97 -0.42 0.00 -0.02 0.00 0.00 54.58 52.16 3a13 n ASN 193 Cb 0.28 -0.22 -0.07 0.00 -2.36 0.00 0.00 39.78 37.42 3a13 n ASN 193 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3a13 s LEU 194 N -1.54 4.26 0.00 -4.53 2.96 -0.54 -4.96 118.68 114.33 3a13 s LEU 194 Ca 0.37 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3a13 s LEU 194 Cb 0.22 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 44.15 3a13 s LEU 194 CO 0.31 -0.58 0.00 0.35 -1.32 0.00 0.00 176.35 175.12 3a13 n THR 195 N 5.56 0.00 -3.02 3.68 -2.24 -1.26 -4.70 114.28 112.29 3a13 n THR 195 Ca -0.02 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 3a13 n THR 195 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3a13 n THR 195 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a13 n SER 196 N 0.00 1.57 -4.69 3.42 2.88 -1.26 -3.91 113.62 111.63 3a13 n SER 196 Ca 0.00 -3.06 -0.29 0.00 -1.33 0.00 0.00 58.87 54.19 3a13 n SER 196 Cb 0.00 -0.59 0.16 0.00 -0.75 0.00 0.00 64.21 63.03 3a13 n SER 196 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3a13 s PRO 197 N -2.75 0.73 0.30 -1.46 0.04 -1.24 -4.72 135.00 125.90 3a13 s PRO 197 Ca 0.39 0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.77 3a13 s PRO 197 Cb 0.37 -1.79 0.56 0.00 0.04 0.00 0.00 34.50 33.68 3a13 s PRO 197 CO -0.07 -2.48 1.87 0.11 0.04 0.00 0.00 177.00 176.47 3a13 h TRP 198 N -1.71 1.08 0.00 0.56 5.08 -2.01 -1.73 115.95 117.22 3a13 h TRP 198 Ca -0.52 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.48 3a13 h TRP 198 Cb 1.33 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 3a13 h TRP 198 CO 0.15 0.49 0.00 2.48 -1.28 0.00 0.00 178.44 180.27 3a13 n TYR 199 N -4.55 0.00 -2.75 0.12 0.18 -1.26 -4.37 117.16 104.53 3a13 n TYR 199 Ca 0.17 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.91 3a13 n TYR 199 Cb 0.30 -0.44 0.01 0.00 -0.38 0.00 0.00 39.34 38.83 3a13 n TYR 199 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 3a13 n ASN 200 N -1.44 -3.23 -4.75 9.48 2.85 -0.67 -4.11 115.26 113.40 3a13 n ASN 200 Ca 0.08 -2.71 -0.41 0.00 -0.11 0.00 0.00 54.58 51.42 3a13 n ASN 200 Cb 0.26 1.65 -0.03 0.00 1.24 0.00 0.00 39.78 42.91 3a13 n ASN 200 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3a13 s ARG 201 N 0.87 4.34 0.20 1.20 1.81 -1.11 -3.64 118.95 122.62 3a13 s ARG 201 Ca 0.29 2.17 -0.17 0.00 -1.72 0.00 0.00 55.73 56.30 3a13 s ARG 201 Cb 0.02 -3.14 0.18 0.00 -0.45 0.00 0.00 34.95 31.56 3a13 s ARG 201 CO -0.06 -0.29 1.61 0.35 -0.68 0.00 0.00 175.30 176.23 3a13 h PHE 202 N 4.84 -0.58 0.00 -0.53 3.57 -1.85 -1.80 116.94 120.59 3a13 h PHE 202 Ca -0.46 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.04 3a13 h PHE 202 Cb 1.22 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 3a13 h PHE 202 CO 0.60 -0.32 -0.27 0.93 -2.23 0.00 0.00 178.31 177.02 3a13 h GLU 203 N -0.09 0.00 -0.16 1.11 4.39 -1.93 -1.12 114.58 116.78 3a13 h GLU 203 Ca 0.26 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 3a13 h GLU 203 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3a13 h GLU 203 CO -0.63 0.27 -0.38 0.93 -1.16 0.00 0.00 179.01 178.04 3a13 h GLU 204 N 0.00 0.54 -0.49 2.33 5.08 -1.74 -1.93 114.58 118.38 3a13 h GLU 204 Ca -0.00 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3a13 h GLU 204 Cb 0.51 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3a13 h GLU 204 CO 0.04 0.98 0.19 0.00 -1.00 0.00 0.00 179.01 179.22 3a13 h ARG 205 N 0.18 0.36 -0.40 2.33 3.08 -0.94 -2.35 114.38 116.64 3a13 h ARG 205 Ca -0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3a13 h ARG 205 Cb 0.99 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3a13 h ARG 205 CO 0.08 0.24 0.01 0.00 -1.07 0.00 0.00 179.97 179.23 3a13 h ALA 206 N 1.32 0.54 -0.83 0.04 0.00 -1.17 0.15 119.26 119.30 3a13 h ALA 206 Ca 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3a13 h ALA 206 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3a13 h ALA 206 CO -0.22 0.32 0.41 0.93 0.00 0.00 0.00 179.25 180.69 3a13 h GLU 207 N 0.54 1.19 -0.27 0.00 4.39 -1.31 -0.26 114.58 118.86 3a13 h GLU 207 Ca 0.11 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3a13 h GLU 207 Cb 0.47 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3a13 h GLU 207 CO 0.02 0.90 0.03 0.82 -1.16 0.00 0.00 179.01 179.62 3a13 h ILE 208 N 1.17 1.24 -0.53 3.13 2.04 -1.05 -2.73 117.51 120.79 3a13 h ILE 208 Ca 0.29 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 3a13 h ILE 208 Cb 0.10 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3a13 h ILE 208 CO -0.04 0.27 -0.13 0.24 0.00 0.00 0.00 178.15 178.49 3a13 h MET 209 N 0.25 1.03 -0.72 2.37 2.86 -0.55 -0.05 114.93 120.12 3a13 h MET 209 Ca 0.08 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 3a13 h MET 209 Cb 0.37 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3a13 h MET 209 CO 0.01 1.08 0.43 0.00 1.06 0.00 0.00 176.91 179.49 3a13 h ALA 210 N 0.91 0.97 -0.38 6.32 0.00 -1.07 0.29 119.26 126.30 3a13 h ALA 210 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3a13 h ALA 210 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3a13 h ALA 210 CO 0.05 0.14 -0.03 -0.22 0.00 0.00 0.00 179.25 179.19 3a13 h LYS 211 N 0.79 0.70 0.00 0.00 3.64 -1.21 -2.73 116.57 117.76 3a13 h LYS 211 Ca 0.31 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 3a13 h LYS 211 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3a13 h LYS 211 CO -0.16 0.81 -0.59 0.82 -2.27 0.00 0.00 179.45 178.05 3a13 h ILE 212 N 0.51 1.31 -0.01 2.00 2.04 -0.49 -2.57 117.51 120.31 3a13 h ILE 212 Ca 0.10 -2.12 -0.00 0.00 1.00 0.00 0.00 64.86 63.85 3a13 h ILE 212 Cb 0.52 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3a13 h ILE 212 CO 0.03 0.58 -0.01 0.40 0.00 0.00 0.00 178.15 179.15 3a13 h ILE 213 N 0.00 1.40 -0.40 -0.67 2.04 -0.43 -1.81 117.51 117.64 3a13 h ILE 213 Ca -0.01 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.76 3a13 h ILE 213 Cb 1.13 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 3a13 h ILE 213 CO 0.08 0.31 0.28 0.44 0.00 0.00 0.00 178.15 179.26 3a13 h ASP 214 N -0.48 0.10 0.15 1.72 3.32 -1.44 -0.58 116.42 119.20 3a13 h ASP 214 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3a13 h ASP 214 Cb 0.51 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3a13 h ASP 214 CO 0.00 0.06 -0.07 0.50 -1.72 0.00 0.00 179.24 178.02 3a13 h LYS 215 N 0.12 -0.19 -0.09 3.56 3.64 -1.35 -1.63 116.57 120.62 3a13 h LYS 215 Ca 0.19 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3a13 h LYS 215 Cb 0.58 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3a13 h LYS 215 CO -0.02 0.08 0.06 0.28 -2.27 0.00 0.00 179.45 177.58 3a13 h VAL 216 N -1.00 1.00 -0.07 2.00 2.07 -1.23 0.37 116.25 119.37 3a13 h VAL 216 Ca -0.02 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3a13 h VAL 216 Cb 0.36 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3a13 h VAL 216 CO 0.03 0.01 -0.06 -0.33 0.02 0.00 0.00 177.57 177.24 3a13 h GLU 217 N 0.07 0.17 -0.07 1.57 5.08 -1.15 0.26 114.58 120.52 3a13 h GLU 217 Ca 0.04 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3a13 h GLU 217 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3a13 h GLU 217 CO -0.01 0.60 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.44 3a13 h ASN 218 N -0.25 0.11 0.31 1.42 2.35 -0.79 0.11 115.58 118.83 3a13 h ASN 218 Ca 0.01 -0.03 -0.33 0.00 -0.55 0.00 0.00 56.30 55.40 3a13 h ASN 218 Cb 0.56 -0.03 0.03 0.00 0.05 0.00 0.00 38.32 38.94 3a13 h ASN 218 CO 0.02 0.37 -1.46 -0.33 -1.65 0.00 0.00 177.43 174.37 3a13 h GLU 219 N 0.10 0.51 0.00 0.81 5.08 -0.16 -3.38 114.58 117.54 3a13 h GLU 219 Ca 0.02 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 3a13 h GLU 219 Cb 0.51 0.32 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3a13 h GLU 219 CO 0.04 1.42 -0.88 0.25 -1.00 0.00 0.00 179.01 178.84 3a13 n THR 220 N -3.69 0.00 -0.42 1.13 -2.24 0.90 -4.96 114.28 105.00 3a13 n THR 220 Ca -0.16 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3a13 n THR 220 Cb 1.10 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 3a13 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a13 n GLY 221 N 1.40 0.86 3.91 3.38 0.00 0.38 -4.98 105.19 110.13 3a13 n GLY 221 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3a13 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a13 s GLU 222 N -0.31 0.74 -0.05 1.61 2.02 -1.26 -5.02 118.70 116.43 3a13 s GLU 222 Ca 0.00 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 54.71 3a13 s GLU 222 Cb 0.00 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 3a13 s GLU 222 CO 0.00 -2.36 -0.14 0.15 0.02 0.00 0.00 175.26 172.92 3a13 s LYS 223 N -5.82 2.50 0.25 1.61 -0.14 -1.26 -4.48 119.74 112.40 3a13 s LYS 223 Ca 0.72 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 54.67 3a13 s LYS 223 Cb -0.05 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 3a13 s LYS 223 CO 0.53 0.62 0.02 0.15 -0.76 0.00 0.00 175.35 175.91 3a13 s LYS 224 N -0.73 1.41 0.35 1.68 -0.14 -1.26 -4.89 119.74 116.15 3a13 s LYS 224 Ca 0.11 -1.73 -0.16 0.00 -1.36 0.00 0.00 55.97 52.84 3a13 s LYS 224 Cb -0.11 -0.63 0.04 0.00 -1.68 0.00 0.00 37.83 35.45 3a13 s LYS 224 CO 0.00 -0.13 0.73 -0.08 -0.76 0.00 0.00 175.35 175.11 3a13 s THR 225 N -3.43 0.00 -0.07 2.17 -1.32 -0.92 -5.02 115.64 107.05 3a13 s THR 225 Ca 0.31 -1.07 -0.03 0.00 -1.21 0.00 0.00 61.69 59.69 3a13 s THR 225 Cb 0.06 -2.58 0.04 0.00 -1.51 0.00 0.00 72.50 68.52 3a13 s THR 225 CO 0.11 0.00 0.14 0.86 -2.21 0.00 0.00 174.62 173.52 3a13 s TRP 226 N -2.91 -0.13 -0.78 9.09 -0.00 -1.26 -2.27 118.94 120.68 3a13 s TRP 226 Ca 0.16 0.54 -0.23 0.00 -0.00 0.00 0.00 56.10 56.57 3a13 s TRP 226 Cb -0.05 -0.30 0.07 0.00 -0.00 0.00 0.00 33.47 33.19 3a13 s TRP 226 CO 0.11 -0.25 1.15 -0.06 -0.00 0.00 0.00 176.95 177.89 3a13 s PHE 227 N 2.23 2.61 -0.27 5.86 0.08 0.09 -4.22 117.98 124.36 3a13 s PHE 227 Ca 0.03 -0.59 -0.20 0.00 0.12 0.00 0.00 56.93 56.29 3a13 s PHE 227 Cb -0.12 -4.44 -0.02 0.00 -0.57 0.00 0.00 43.02 37.87 3a13 s PHE 227 CO -0.05 -1.79 0.63 0.00 -0.10 0.00 0.00 175.22 173.91 3a13 s ALA 228 N 4.45 3.58 -0.60 5.36 0.00 -1.25 -1.77 121.76 131.53 3a13 s ALA 228 Ca 0.31 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 3a13 s ALA 228 Cb -0.10 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3a13 s ALA 228 CO 0.05 -0.90 1.44 1.21 0.00 0.00 0.00 175.76 177.57 3a13 s ASN 229 N 1.53 6.03 0.00 0.00 2.47 -1.26 0.65 114.94 124.37 3a13 s ASN 229 Ca 0.26 0.17 0.27 0.00 0.42 0.00 0.00 52.86 53.98 3a13 s ASN 229 Cb -0.15 -2.55 0.88 0.00 -1.45 0.00 0.00 41.25 37.98 3a13 s ASN 229 CO 0.10 -1.81 1.66 2.30 -3.72 0.00 0.00 177.10 175.62 3a13 n ILE 230 N 6.82 0.00 -1.73 -5.21 -5.35 -0.42 -4.77 119.36 108.69 3a13 n ILE 230 Ca 0.12 -0.04 -0.66 0.00 -0.27 0.00 0.00 62.75 61.90 3a13 n ILE 230 Cb 0.49 0.05 -0.09 0.00 -1.74 0.00 0.00 39.64 38.35 3a13 n ILE 230 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3a13 n THR 231 N -1.19 0.04 -3.95 7.28 -1.04 -1.26 -4.30 114.28 109.86 3a13 n THR 231 Ca 0.09 -0.01 0.01 0.00 -2.04 0.00 0.00 64.05 62.11 3a13 n THR 231 Cb 0.32 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 3a13 n THR 231 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a13 n ALA 232 N 4.01 -0.83 -0.82 2.41 0.00 -1.26 -4.90 120.51 119.12 3a13 n ALA 232 Ca 0.30 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 3a13 n ALA 232 Cb -0.02 0.02 0.16 0.00 0.00 0.00 0.00 19.45 19.60 3a13 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a13 s ASP 233 N -1.64 3.07 0.14 0.00 1.01 -1.26 -4.68 116.67 113.30 3a13 s ASP 233 Ca 0.07 2.02 -0.23 0.00 0.71 0.00 0.00 52.55 55.12 3a13 s ASP 233 Cb -0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3a13 s ASP 233 CO -0.00 -2.98 1.64 0.25 0.21 0.00 0.00 175.17 174.29 3a13 h LEU 234 N -1.79 -0.68 -1.11 1.23 5.85 -1.99 -0.70 115.31 116.13 3a13 h LEU 234 Ca -0.45 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3a13 h LEU 234 Cb 1.27 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 3a13 h LEU 234 CO 0.45 -0.26 0.44 -0.07 -0.34 0.00 0.00 178.44 178.66 3a13 h LEU 235 N -0.26 0.94 -0.53 2.25 3.38 -2.00 -0.22 115.31 118.87 3a13 h LEU 235 Ca 0.11 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3a13 h LEU 235 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3a13 h LEU 235 CO -0.32 0.74 -0.11 -0.33 0.09 0.00 0.00 178.44 178.52 3a13 h GLU 236 N 1.07 1.02 -0.84 1.13 3.07 -1.77 -1.42 114.58 116.84 3a13 h GLU 236 Ca 0.28 -0.38 0.02 0.00 -0.50 0.00 0.00 59.36 58.77 3a13 h GLU 236 Cb -0.01 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 3a13 h GLU 236 CO -0.05 1.07 0.55 0.52 -1.40 0.00 0.00 179.01 179.70 3a13 h MET 237 N 0.89 1.07 -0.40 2.33 2.86 -0.07 -0.14 114.93 121.47 3a13 h MET 237 Ca 0.14 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3a13 h MET 237 Cb 0.68 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3a13 h MET 237 CO 0.05 0.71 0.23 0.93 1.06 0.00 0.00 176.91 179.89 3a13 h GLU 238 N 1.10 0.46 -0.88 1.72 5.08 -0.66 0.10 114.58 121.51 3a13 h GLU 238 Ca 0.32 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3a13 h GLU 238 Cb -0.08 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 3a13 h GLU 238 CO -0.08 0.30 0.54 1.96 -1.00 0.00 0.00 179.01 180.73 3a13 h GLN 239 N 0.47 1.18 -0.25 2.33 4.20 -0.73 -1.53 115.11 120.79 3a13 h GLN 239 Ca 0.16 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 3a13 h GLN 239 Cb 0.01 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 3a13 h GLN 239 CO -0.08 0.82 -0.56 0.00 -0.67 0.00 0.00 178.83 178.35 3a13 h ARG 240 N 1.20 0.77 -0.79 1.46 3.08 -0.55 -0.26 114.38 119.31 3a13 h ARG 240 Ca 0.32 -0.50 0.05 0.00 0.07 0.00 0.00 59.98 59.92 3a13 h ARG 240 Cb -0.07 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3a13 h ARG 240 CO -0.06 1.12 0.49 -0.07 -1.07 0.00 0.00 179.97 180.38 3a13 h LEU 241 N 0.59 0.78 -0.54 3.04 3.38 -0.77 -2.27 115.31 119.52 3a13 h LEU 241 Ca 0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3a13 h LEU 241 Cb 1.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3a13 h LEU 241 CO 0.12 0.52 0.08 -0.08 0.09 0.00 0.00 178.44 179.17 3a13 h GLU 242 N 0.92 0.90 -0.66 1.13 4.81 -0.76 -1.96 114.58 118.96 3a13 h GLU 242 Ca 0.33 -0.24 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3a13 h GLU 242 Cb 0.10 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3a13 h GLU 242 CO -0.15 0.88 0.30 0.28 -0.73 0.00 0.00 179.01 179.59 3a13 h VAL 243 N 0.79 0.82 -0.15 0.32 2.07 -0.80 -0.95 116.25 118.36 3a13 h VAL 243 Ca 0.16 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3a13 h VAL 243 Cb 0.41 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3a13 h VAL 243 CO 0.01 0.10 0.04 -0.07 0.02 0.00 0.00 177.57 177.66 3a13 h LEU 244 N 0.53 0.23 -0.80 2.57 3.38 -1.17 -2.62 115.31 117.42 3a13 h LEU 244 Ca 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3a13 h LEU 244 Cb 0.36 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3a13 h LEU 244 CO -0.28 0.40 0.42 0.00 0.09 0.00 0.00 178.44 179.07 3a13 h ALA 245 N 0.84 1.03 -0.26 1.53 0.00 -1.13 -1.69 119.26 119.57 3a13 h ALA 245 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3a13 h ALA 245 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a13 h ALA 245 CO 0.00 0.56 0.04 -0.44 0.00 0.00 0.00 179.25 179.41 3a13 h ASP 246 N 1.12 0.34 -0.07 0.00 3.32 -1.12 -1.79 116.42 118.22 3a13 h ASP 246 Ca 0.28 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3a13 h ASP 246 Cb 0.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3a13 h ASP 246 CO -0.04 0.37 0.00 0.18 -1.72 0.00 0.00 179.24 178.03 3a13 n LEU 247 N -4.37 1.24 -1.35 1.55 4.77 -0.87 -4.92 117.00 113.05 3a13 n LEU 247 Ca 0.01 -0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 55.36 3a13 n LEU 247 Cb 0.18 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3a13 n LEU 247 CO 0.37 0.23 -0.16 0.61 -1.33 0.00 0.00 177.39 177.11 3a13 n GLY 248 N 1.10 1.35 3.72 -0.72 0.00 -0.67 -4.94 105.19 105.03 3a13 n GLY 248 Ca 0.18 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3a13 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 249 N -3.87 1.59 0.00 0.99 1.43 -0.69 -5.02 118.68 113.11 3a13 s LEU 249 Ca 0.00 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3a13 s LEU 249 Cb 0.00 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3a13 s LEU 249 CO 0.00 -3.21 0.36 2.29 0.23 0.00 0.00 176.35 176.02 3a13 n LYS 250 N -4.17 0.21 -4.42 1.70 2.85 -1.26 -4.72 118.16 108.36 3a13 n LYS 250 Ca 0.09 -0.41 -0.20 0.00 -1.05 0.00 0.00 58.31 56.75 3a13 n LYS 250 Cb 0.59 -0.61 -0.14 0.00 -0.65 0.00 0.00 35.03 34.22 3a13 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3a13 s HIS 251 N -0.11 1.06 -0.10 5.58 3.76 -1.26 -1.39 115.29 122.84 3a13 s HIS 251 Ca 0.00 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3a13 s HIS 251 Cb 0.00 -0.66 0.01 0.00 1.11 0.00 0.00 32.58 33.04 3a13 s HIS 251 CO 0.00 -0.00 -0.16 0.00 -0.85 0.00 0.00 174.74 173.73 3a13 s ALA 252 N -0.53 1.70 -0.05 -1.40 0.00 0.29 -3.97 121.76 117.80 3a13 s ALA 252 Ca 0.03 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3a13 s ALA 252 Cb -0.06 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 3a13 s ALA 252 CO 0.00 -0.02 0.31 1.41 0.00 0.00 0.00 175.76 177.46 3a13 s MET 253 N 0.88 3.77 -0.02 0.00 1.75 0.21 -0.78 119.30 125.11 3a13 s MET 253 Ca -0.09 0.20 0.01 0.00 -1.25 0.00 0.00 55.69 54.56 3a13 s MET 253 Cb -0.15 -3.22 0.01 0.00 2.84 0.00 0.00 34.83 34.31 3a13 s MET 253 CO 0.00 0.70 -0.02 0.08 -0.65 0.00 0.00 175.02 175.13 3a13 s VAL 254 N -0.97 0.25 -0.98 10.11 1.01 -0.40 -1.31 120.40 128.12 3a13 s VAL 254 Ca 0.20 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 3a13 s VAL 254 Cb -0.15 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.00 3a13 s VAL 254 CO 0.10 0.12 1.41 -1.81 0.00 0.00 0.00 175.10 174.92 3a13 s ASP 255 N 0.52 6.47 0.23 3.32 1.01 -1.26 -0.74 116.67 126.22 3a13 s ASP 255 Ca -0.05 -1.38 -0.03 0.00 0.71 0.00 0.00 52.55 51.80 3a13 s ASP 255 Cb -0.08 -2.56 0.23 0.00 1.01 0.00 0.00 42.92 41.51 3a13 s ASP 255 CO -0.01 -1.52 1.64 -0.37 0.21 0.00 0.00 175.17 175.13 3a13 h VAL 256 N 6.66 1.27 -0.12 -1.27 -1.51 -1.61 0.20 116.25 119.87 3a13 h VAL 256 Ca 0.15 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.22 3a13 h VAL 256 Cb 1.02 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3a13 h VAL 256 CO 1.39 0.44 -0.10 0.58 -1.23 0.00 0.00 177.57 178.65 3a13 h VAL 257 N 0.62 1.34 -0.38 7.19 2.07 -1.80 -1.83 116.25 123.46 3a13 h VAL 257 Ca 0.08 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3a13 h VAL 257 Cb 0.74 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3a13 h VAL 257 CO 0.06 0.36 0.20 0.40 0.02 0.00 0.00 177.57 178.60 3a13 h ILE 258 N -0.09 1.16 -0.53 4.57 2.04 -1.67 -3.12 117.51 119.87 3a13 h ILE 258 Ca 0.02 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.54 3a13 h ILE 258 Cb 0.61 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3a13 h ILE 258 CO 0.03 0.16 0.16 0.74 0.00 0.00 0.00 178.15 179.24 3a13 h THR 259 N 0.48 0.76 0.00 -0.27 2.02 -0.89 -3.48 112.91 111.52 3a13 h THR 259 Ca 0.13 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3a13 h THR 259 Cb 0.08 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3a13 h THR 259 CO -0.02 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.54 3a13 n GLY 260 N -1.28 0.93 0.10 2.16 0.00 -0.70 -4.71 105.19 101.69 3a13 n GLY 260 Ca 0.06 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 3a13 n GLY 260 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a13 h TRP 261 N 0.00 0.00 -0.87 1.61 4.06 -1.89 -3.20 115.95 115.66 3a13 h TRP 261 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 3a13 h TRP 261 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.10 3a13 h TRP 261 CO 0.00 0.77 0.56 0.78 -3.56 0.00 0.00 178.44 177.00 3a13 h GLY 262 N 2.99 1.24 0.00 1.49 0.00 -2.00 -3.26 103.07 103.54 3a13 h GLY 262 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3a13 h GLY 262 CO 0.10 0.26 0.00 0.00 0.00 0.00 0.00 176.54 176.90 3a13 n ALA 263 N -2.41 2.19 -0.18 3.60 0.00 -1.25 -4.78 120.51 117.67 3a13 n ALA 263 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 3a13 n ALA 263 Cb 0.23 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.69 3a13 n ALA 263 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a13 h LEU 264 N 0.00 0.72 -0.64 0.00 5.85 -1.59 -1.18 115.31 118.47 3a13 h LEU 264 Ca 0.00 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3a13 h LEU 264 Cb 0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3a13 h LEU 264 CO 0.00 0.70 0.27 -0.09 -0.34 0.00 0.00 178.44 178.98 3a13 h ARG 265 N 0.70 0.95 -0.29 1.25 2.43 -1.87 0.90 114.38 118.45 3a13 h ARG 265 Ca 0.17 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3a13 h ARG 265 Cb 0.21 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3a13 h ARG 265 CO -0.01 0.79 0.16 -0.92 -1.51 0.00 0.00 179.97 178.48 3a13 h TYR 266 N 0.90 0.40 -0.62 2.20 3.20 -1.84 0.14 116.97 121.35 3a13 h TYR 266 Ca 0.21 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3a13 h TYR 266 Cb 0.19 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3a13 h TYR 266 CO 0.01 0.33 0.36 0.82 -1.64 0.00 0.00 178.16 178.04 3a13 h ILE 267 N 0.36 1.02 -0.09 1.81 1.08 -0.83 0.18 117.51 121.04 3a13 h ILE 267 Ca 0.10 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3a13 h ILE 267 Cb 0.06 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3a13 h ILE 267 CO -0.02 0.13 0.04 -0.09 -0.69 0.00 0.00 178.15 177.52 3a13 h ARG 268 N 0.69 0.13 -0.57 2.37 1.12 -0.57 -0.64 114.38 116.90 3a13 h ARG 268 Ca 0.26 -0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.14 3a13 h ARG 268 Cb 0.09 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.99 3a13 h ARG 268 CO -0.13 0.22 0.33 -0.44 -3.11 0.00 0.00 179.97 176.84 3a13 h ASP 269 N 0.01 0.53 -0.55 -3.80 3.32 -0.39 0.93 116.42 116.46 3a13 h ASP 269 Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3a13 h ASP 269 Cb 0.13 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3a13 h ASP 269 CO -0.00 0.36 0.32 0.25 -1.72 0.00 0.00 179.24 178.45 3a13 h LEU 270 N 0.65 0.67 -1.08 1.55 5.85 -0.83 0.08 115.31 122.21 3a13 h LEU 270 Ca 0.24 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3a13 h LEU 270 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3a13 h LEU 270 CO -0.12 0.55 0.04 0.00 -0.34 0.00 0.00 178.44 178.56 3a13 h ALA 271 N 1.15 1.24 -0.17 1.25 0.00 -0.56 -1.87 119.26 120.31 3a13 h ALA 271 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3a13 h ALA 271 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3a13 h ALA 271 CO -0.03 0.51 0.06 0.00 0.00 0.00 0.00 179.25 179.78 3a13 h ALA 272 N 1.38 0.22 -0.45 0.00 0.00 -0.10 0.52 119.26 120.84 3a13 h ALA 272 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3a13 h ALA 272 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3a13 h ALA 272 CO 0.01 -0.18 0.30 -0.44 0.00 0.00 0.00 179.25 178.94 3a13 h ASP 273 N 0.10 0.40 0.94 0.00 3.32 -0.80 -0.73 116.42 119.65 3a13 h ASP 273 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3a13 h ASP 273 Cb 0.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3a13 h ASP 273 CO -0.00 0.27 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.53 3a13 n TYR 274 N -4.48 0.00 -2.52 4.55 4.01 -0.72 -4.93 117.16 113.07 3a13 n TYR 274 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.75 3a13 n TYR 274 Cb 0.17 -0.47 0.01 0.00 -0.31 0.00 0.00 39.34 38.74 3a13 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a13 n GLY 275 N 1.49 0.55 3.53 2.72 0.00 -0.28 -4.89 105.19 108.30 3a13 n GLY 275 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3a13 n GLY 275 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 276 N -1.85 2.99 0.30 0.99 1.43 0.08 -4.86 118.68 117.76 3a13 s LEU 276 Ca 0.08 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 3a13 s LEU 276 Cb -0.03 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 3a13 s LEU 276 CO 0.09 0.34 0.81 0.00 0.23 0.00 0.00 176.35 177.83 3a13 s ALA 277 N -0.67 3.28 -0.20 4.21 0.00 -0.48 -4.34 121.76 123.55 3a13 s ALA 277 Ca 0.10 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 3a13 s ALA 277 Cb -0.11 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3a13 s ALA 277 CO 0.01 0.26 0.04 0.42 0.00 0.00 0.00 175.76 176.50 3a13 s ILE 278 N -1.76 4.43 -0.28 0.00 1.01 -1.26 -0.55 121.20 122.79 3a13 s ILE 278 Ca 0.50 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 3a13 s ILE 278 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 3a13 s ILE 278 CO 0.19 0.42 0.20 -2.28 0.00 0.00 0.00 174.94 173.48 3a13 s HIS 279 N 0.82 3.23 -0.24 3.97 5.65 0.04 -1.30 115.29 127.46 3a13 s HIS 279 Ca 0.03 0.15 -0.10 0.00 0.25 0.00 0.00 55.06 55.39 3a13 s HIS 279 Cb -0.14 -2.38 -0.05 0.00 -1.18 0.00 0.00 32.58 28.83 3a13 s HIS 279 CO 0.02 -0.15 0.14 0.20 -0.65 0.00 0.00 174.74 174.30 3a13 s GLY 280 N 1.69 1.94 -0.14 1.59 0.00 0.48 -1.27 107.32 111.62 3a13 s GLY 280 Ca 0.08 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3a13 s GLY 280 CO 0.10 0.39 -0.04 -1.58 0.00 0.00 0.00 173.10 171.97 3a13 s HIS 281 N 1.10 3.01 -0.92 1.90 2.46 0.08 -2.86 115.29 120.06 3a13 s HIS 281 Ca 0.07 -0.26 0.16 0.00 0.47 0.00 0.00 55.06 55.50 3a13 s HIS 281 Cb -0.14 -1.92 0.73 0.00 -0.13 0.00 0.00 32.58 31.12 3a13 s HIS 281 CO 0.04 0.02 1.63 2.89 -2.47 0.00 0.00 174.74 176.85 3a13 n ARG 282 N 3.32 3.95 -1.46 2.88 1.85 -1.26 -1.45 116.66 124.49 3a13 n ARG 282 Ca -0.18 -2.84 -0.57 0.00 -1.00 0.00 0.00 57.85 53.27 3a13 n ARG 282 Cb 0.53 -1.98 -0.08 0.00 -1.05 0.00 0.00 32.46 29.87 3a13 n ARG 282 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a13 n ALA 283 N 0.96 -2.70 0.00 2.89 0.00 -1.26 -0.79 120.51 119.61 3a13 n ALA 283 Ca 0.25 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.22 3a13 n ALA 283 Cb 0.95 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3a13 n ALA 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3a13 n MET 284 N 2.16 0.00 -0.37 0.00 0.00 -1.26 -3.96 117.12 113.70 3a13 n MET 284 Ca 0.22 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.96 3a13 n MET 284 Cb 0.03 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.45 3a13 n MET 284 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 3a13 h HIS 285 N 0.00 1.18 0.00 1.12 -0.00 -1.37 -1.64 115.15 114.44 3a13 h HIS 285 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a13 h HIS 285 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.03 3a13 h HIS 285 CO 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 177.93 178.49 3a13 n ALA 286 N -2.36 1.50 0.28 6.11 0.00 -1.26 -0.75 120.51 124.03 3a13 n ALA 286 Ca 0.17 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3a13 n ALA 286 Cb 0.24 -1.16 0.82 0.00 0.00 0.00 0.00 19.45 19.35 3a13 n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a13 h ALA 287 N 2.37 1.36 0.00 0.00 0.00 -1.71 -3.29 119.26 118.00 3a13 h ALA 287 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a13 h ALA 287 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a13 h ALA 287 CO 0.00 0.09 -0.02 1.97 0.00 0.00 0.00 179.25 181.28 3a13 n PHE 288 N -3.69 0.00 1.10 0.00 1.16 0.07 -4.83 117.46 111.26 3a13 n PHE 288 Ca -0.02 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.68 3a13 n PHE 288 Cb 0.17 0.00 0.15 0.00 -1.61 0.00 0.00 39.48 38.20 3a13 n PHE 288 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3a13 n THR 289 N -0.23 0.00 0.05 1.97 -2.24 0.05 -1.30 114.28 112.58 3a13 n THR 289 Ca 0.00 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 3a13 n THR 289 Cb 0.00 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.01 3a13 n THR 289 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a13 h ARG 290 N 2.05 0.35 -6.23 -0.78 2.43 -1.80 -3.42 114.38 106.98 3a13 h ARG 290 Ca 0.00 -0.59 -0.56 0.00 -0.81 0.00 0.00 59.98 58.02 3a13 h ARG 290 Cb 0.67 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3a13 h ARG 290 CO 0.00 1.28 1.02 1.21 -1.51 0.00 0.00 179.97 181.98 3a13 s ASN 291 N -7.20 6.71 0.00 -3.80 3.84 -1.26 -4.88 114.94 108.34 3a13 s ASN 291 Ca -0.19 1.85 0.26 0.00 0.21 0.00 0.00 52.86 55.00 3a13 s ASN 291 Cb 0.06 -2.54 1.37 0.00 -0.55 0.00 0.00 41.25 39.59 3a13 s ASN 291 CO 0.82 -0.95 1.90 -2.65 -2.79 0.00 0.00 177.10 173.44 3a13 n PRO 292 N 7.07 0.44 -0.02 0.43 -0.02 -1.26 -2.42 135.00 139.22 3a13 n PRO 292 Ca 0.16 0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 3a13 n PRO 292 Cb 0.44 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.48 3a13 n PRO 292 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a13 n TYR 293 N -1.25 0.05 -3.64 6.00 4.01 -1.26 -4.87 117.16 116.20 3a13 n TYR 293 Ca 0.14 -0.06 -0.04 0.00 -0.16 0.00 0.00 57.90 57.78 3a13 n TYR 293 Cb 0.19 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 3a13 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a13 s HIS 294 N -0.87 -0.58 -0.10 -0.72 2.46 -1.02 -2.16 115.29 112.30 3a13 s HIS 294 Ca 0.13 1.21 0.00 0.00 0.47 0.00 0.00 55.06 56.87 3a13 s HIS 294 Cb 0.09 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.91 3a13 s HIS 294 CO 0.13 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.52 3a13 n GLY 295 N 3.44 0.10 2.90 1.59 0.00 -0.68 -4.18 105.19 108.37 3a13 n GLY 295 Ca -0.17 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 3a13 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 296 N -0.44 0.52 0.41 -0.61 1.01 -0.42 -1.81 121.20 119.87 3a13 s ILE 296 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 3a13 s ILE 296 Cb 0.00 -0.54 -0.08 0.00 0.01 0.00 0.00 42.46 41.84 3a13 s ILE 296 CO 0.00 0.22 1.12 -0.55 0.00 0.00 0.00 174.94 175.73 3a13 s SER 297 N 0.83 6.52 0.60 3.58 0.15 -0.26 -3.79 113.70 121.33 3a13 s SER 297 Ca -0.11 2.22 0.30 0.00 0.70 0.00 0.00 55.95 59.06 3a13 s SER 297 Cb -0.14 -2.60 1.69 0.00 -1.71 0.00 0.00 66.02 63.26 3a13 s SER 297 CO 0.00 -0.67 2.08 -0.03 1.20 0.00 0.00 173.24 175.82 3a13 h MET 298 N 2.43 0.00 -0.71 5.44 4.05 -1.90 -1.93 114.93 122.31 3a13 h MET 298 Ca -0.49 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.86 3a13 h MET 298 Cb 1.23 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 3a13 h MET 298 CO 0.62 0.00 0.17 0.35 0.23 0.00 0.00 176.91 178.28 3a13 h PHE 299 N 0.00 1.20 -0.07 1.39 3.57 -1.90 0.67 116.94 121.79 3a13 h PHE 299 Ca 0.08 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3a13 h PHE 299 Cb 0.54 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3a13 h PHE 299 CO 0.00 0.97 -0.04 0.28 -2.23 0.00 0.00 178.31 177.28 3a13 h VAL 300 N 1.08 1.34 -0.65 1.41 2.07 -1.56 -2.63 116.25 117.31 3a13 h VAL 300 Ca 0.22 -1.09 0.12 0.00 0.82 0.00 0.00 66.70 66.76 3a13 h VAL 300 Cb 0.38 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 3a13 h VAL 300 CO 0.00 0.30 0.22 -0.07 0.02 0.00 0.00 177.57 178.04 3a13 h LEU 301 N -0.23 0.17 -0.84 2.57 4.07 -1.28 -0.85 115.31 118.92 3a13 h LEU 301 Ca 0.02 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 3a13 h LEU 301 Cb 0.51 0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.31 3a13 h LEU 301 CO 0.01 0.08 0.46 0.00 -1.08 0.00 0.00 178.44 177.92 3a13 h ALA 302 N 1.48 1.08 0.12 1.53 0.00 -0.81 0.03 119.26 122.68 3a13 h ALA 302 Ca 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3a13 h ALA 302 Cb 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a13 h ALA 302 CO -0.37 0.58 -0.06 -0.22 0.00 0.00 0.00 179.25 179.18 3a13 h LYS 303 N 1.17 -0.15 -0.36 0.00 3.64 -0.97 -1.73 116.57 118.17 3a13 h LYS 303 Ca 0.30 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3a13 h LYS 303 Cb 0.03 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3a13 h LYS 303 CO -0.05 0.12 0.23 -0.07 -2.27 0.00 0.00 179.45 177.41 3a13 h LEU 304 N -0.42 0.39 -1.14 5.20 3.38 -1.01 -0.71 115.31 120.99 3a13 h LEU 304 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3a13 h LEU 304 Cb 0.34 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3a13 h LEU 304 CO 0.03 0.28 0.08 1.88 0.09 0.00 0.00 178.44 180.79 3a13 h TYR 305 N 0.46 0.70 -0.24 1.13 0.05 -0.98 0.69 116.97 118.78 3a13 h TYR 305 Ca 0.13 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3a13 h TYR 305 Cb -0.04 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3a13 h TYR 305 CO -0.06 0.62 0.05 -0.09 -1.05 0.00 0.00 178.16 177.63 3a13 h ARG 306 N 0.66 0.39 -0.38 4.88 2.43 -1.03 -0.02 114.38 121.30 3a13 h ARG 306 Ca 0.14 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3a13 h ARG 306 Cb 0.29 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3a13 h ARG 306 CO 0.00 0.51 0.16 -0.07 -1.51 0.00 0.00 179.97 179.06 3a13 h LEU 307 N 0.21 0.21 -1.17 3.80 4.07 -0.57 -1.37 115.31 120.50 3a13 h LEU 307 Ca 0.07 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.07 3a13 h LEU 307 Cb 0.30 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 3a13 h LEU 307 CO 0.00 0.16 0.54 0.40 -1.08 0.00 0.00 178.44 178.46 3a13 h ILE 308 N 0.34 1.22 0.00 1.22 2.04 -0.84 -0.39 117.51 121.10 3a13 h ILE 308 Ca 0.17 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3a13 h ILE 308 Cb 0.11 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3a13 h ILE 308 CO -0.14 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.83 3a13 n GLY 309 N -1.38 1.72 3.63 5.37 0.00 -0.52 -4.14 105.19 109.87 3a13 n GLY 309 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3a13 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 310 N -1.72 3.96 0.29 -0.61 -1.09 -0.12 -4.21 121.20 117.71 3a13 s ILE 310 Ca 0.00 1.08 0.07 0.00 -2.23 0.00 0.00 60.65 59.57 3a13 s ILE 310 Cb 0.00 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3a13 s ILE 310 CO 0.00 -0.41 1.68 0.44 -1.23 0.00 0.00 174.94 175.42 3a13 h ASP 311 N 9.89 0.21 -3.65 3.58 3.32 -1.76 -3.42 116.42 124.59 3a13 h ASP 311 Ca -0.29 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.38 3a13 h ASP 311 Cb 1.12 -0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.30 3a13 h ASP 311 CO 1.02 0.64 -0.73 -1.10 -1.72 0.00 0.00 179.24 177.35 3a13 s GLN 312 N -4.03 0.10 -0.09 3.56 -0.21 -0.42 0.17 119.66 118.75 3a13 s GLN 312 Ca -0.04 0.04 -0.06 0.00 0.02 0.00 0.00 55.36 55.33 3a13 s GLN 312 Cb 0.13 -0.22 0.03 0.00 1.00 0.00 0.00 33.01 33.96 3a13 s GLN 312 CO 0.77 -0.06 0.21 -1.17 -2.12 0.00 0.00 175.29 172.93 3a13 s LEU 313 N 0.48 0.81 0.22 2.90 2.96 -0.78 0.18 118.68 125.45 3a13 s LEU 313 Ca -0.04 0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 3a13 s LEU 313 Cb -0.07 0.67 -0.09 0.00 0.50 0.00 0.00 46.19 47.20 3a13 s LEU 313 CO -0.01 -0.12 1.38 -1.00 -1.32 0.00 0.00 176.35 175.27 3a13 s HIS 314 N 0.74 3.14 0.00 5.38 3.76 -1.14 0.29 115.29 127.46 3a13 s HIS 314 Ca -0.05 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 3a13 s HIS 314 Cb -0.07 -3.72 0.00 0.00 1.11 0.00 0.00 32.58 29.91 3a13 s HIS 314 CO -0.04 -2.30 0.00 1.33 -0.85 0.00 0.00 174.74 172.88 3a13 n VAL 315 N 2.52 0.00 0.00 -0.90 0.24 -0.06 -4.81 118.33 115.32 3a13 n VAL 315 Ca 0.07 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3a13 n VAL 315 Cb 0.41 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 3a13 n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a13 n GLY 316 N 1.45 1.49 0.41 7.63 0.00 -1.25 -4.66 105.19 110.25 3a13 n GLY 316 Ca 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 46.02 43.84 3a13 n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a13 n THR 317 N -0.79 1.45 -3.40 2.61 -2.24 -1.26 -4.24 114.28 106.41 3a13 n THR 317 Ca 0.00 -1.43 -0.25 0.00 -2.27 0.00 0.00 64.05 60.10 3a13 n THR 317 Cb 0.00 0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.46 3a13 n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a13 n ALA 318 N -0.36 -1.13 0.00 6.98 0.00 -1.25 -2.32 120.51 122.42 3a13 n ALA 318 Ca 0.11 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3a13 n ALA 318 Cb 0.52 -4.24 0.00 0.00 0.00 0.00 0.00 19.45 15.73 3a13 n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a13 n GLY 319 N -1.62 3.12 0.21 0.00 0.00 -0.70 -3.95 105.19 102.25 3a13 n GLY 319 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 3a13 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a13 h ALA 320 N 0.00 1.01 -3.83 4.61 0.00 -1.78 -3.47 119.26 115.80 3a13 h ALA 320 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3a13 h ALA 320 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a13 h ALA 320 CO 0.00 0.61 0.02 0.41 0.00 0.00 0.00 179.25 180.29 3a13 n GLY 321 N -0.12 0.60 0.12 0.00 0.00 -1.26 -4.36 105.19 100.17 3a13 n GLY 321 Ca -0.01 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.18 3a13 n GLY 321 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a13 h LYS 322 N 0.00 0.00 -5.93 1.61 2.10 -1.37 -3.43 116.57 109.55 3a13 h LYS 322 Ca -0.05 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.98 3a13 h LYS 322 Cb 0.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.44 3a13 h LYS 322 CO 0.05 0.00 -0.52 -0.51 -2.00 0.00 0.00 179.45 176.47 3a13 s LEU 323 N -5.09 4.26 0.66 7.07 1.43 -1.26 -4.84 118.68 120.91 3a13 s LEU 323 Ca 0.04 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 3a13 s LEU 323 Cb 0.10 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3a13 s LEU 323 CO 0.72 0.20 1.25 -0.70 0.23 0.00 0.00 176.35 178.04 3a13 s GLU 324 N -2.33 2.50 0.00 1.70 -6.30 -1.26 -4.83 118.70 108.17 3a13 s GLU 324 Ca 0.32 1.91 0.00 0.00 -2.50 0.00 0.00 54.97 54.70 3a13 s GLU 324 Cb -0.13 -1.86 0.00 0.00 0.00 0.00 0.00 34.13 32.14 3a13 s GLU 324 CO 0.24 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 174.34 3a13 n GLY 325 N 0.64 2.06 3.61 -1.50 0.00 -1.26 -4.89 105.19 103.85 3a13 n GLY 325 Ca 0.15 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3a13 n GLY 325 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a13 s GLU 326 N -0.21 0.37 0.17 1.61 0.41 -1.26 -1.72 118.70 118.07 3a13 s GLU 326 Ca 0.00 1.33 -0.15 0.00 -0.41 0.00 0.00 54.97 55.74 3a13 s GLU 326 Cb 0.00 -1.67 0.06 0.00 -1.78 0.00 0.00 34.13 30.74 3a13 s GLU 326 CO 0.00 -3.00 1.82 -0.09 -0.49 0.00 0.00 175.26 173.49 3a13 h ARG 327 N -2.13 0.57 0.23 1.61 2.43 -1.95 -2.47 114.38 112.67 3a13 h ARG 327 Ca -0.49 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3a13 h ARG 327 Cb 1.29 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3a13 h ARG 327 CO 0.44 0.38 -0.11 0.38 -1.51 0.00 0.00 179.97 179.55 3a13 h ASP 328 N 0.59 -0.26 -0.41 -3.80 2.03 -1.92 -1.77 116.42 110.88 3a13 h ASP 328 Ca 0.18 -0.04 0.07 0.00 -0.73 0.00 0.00 57.03 56.51 3a13 h ASP 328 Cb -0.02 0.07 -0.06 0.00 -0.83 0.00 0.00 39.33 38.49 3a13 h ASP 328 CO -0.07 -0.13 0.04 0.40 -1.03 0.00 0.00 179.24 178.46 3a13 h ILE 329 N -0.36 0.74 -0.77 4.15 2.04 -1.92 -1.30 117.51 120.09 3a13 h ILE 329 Ca -0.03 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3a13 h ILE 329 Cb 0.28 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3a13 h ILE 329 CO 0.05 0.03 0.47 0.74 0.00 0.00 0.00 178.15 179.44 3a13 h THR 330 N 0.16 1.21 -0.57 -0.27 2.02 -1.28 0.59 112.91 114.78 3a13 h THR 330 Ca 0.20 -0.45 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 3a13 h THR 330 Cb 0.27 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3a13 h THR 330 CO -0.30 0.22 -0.01 0.40 0.37 0.00 0.00 175.52 176.20 3a13 h ILE 331 N 1.06 1.27 -0.26 3.11 2.04 -0.62 -1.61 117.51 122.49 3a13 h ILE 331 Ca 0.28 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 3a13 h ILE 331 Cb -0.06 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3a13 h ILE 331 CO -0.05 0.41 0.02 1.56 0.00 0.00 0.00 178.15 180.09 3a13 h GLN 332 N 0.89 0.44 -0.75 2.37 1.08 -0.46 -0.44 115.11 118.23 3a13 h GLN 332 Ca 0.16 -0.13 0.15 0.00 -1.45 0.00 0.00 58.65 57.38 3a13 h GLN 332 Cb 0.55 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.84 3a13 h GLN 332 CO 0.03 0.58 0.26 -0.91 -0.95 0.00 0.00 178.83 177.84 3a13 h ASN 333 N 0.24 0.18 -0.42 1.46 2.35 -0.80 -1.86 115.58 116.73 3a13 h ASN 333 Ca 0.08 0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 3a13 h ASN 333 Cb 0.37 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3a13 h ASN 333 CO 0.01 0.04 -0.31 0.00 -1.65 0.00 0.00 177.43 175.52 3a13 h ALA 334 N 1.58 0.60 0.03 -0.83 0.00 -0.94 -3.03 119.26 116.67 3a13 h ALA 334 Ca 0.42 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a13 h ALA 334 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3a13 h ALA 334 CO -0.45 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.44 3a13 h ARG 335 N 0.78 -0.04 0.00 0.00 3.08 -0.51 -2.54 114.38 115.14 3a13 h ARG 335 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3a13 h ARG 335 Cb 0.90 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3a13 h ARG 335 CO 0.08 0.11 -0.00 0.97 -1.07 0.00 0.00 179.97 180.06 3a13 h ILE 336 N -0.19 0.50 0.03 2.04 6.09 -1.38 -0.55 117.51 124.05 3a13 h ILE 336 Ca -0.00 -0.02 -0.22 0.00 -1.37 0.00 0.00 64.86 63.25 3a13 h ILE 336 Cb 0.17 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 3a13 h ILE 336 CO 0.01 0.00 -0.98 -0.07 -3.07 0.00 0.00 178.15 174.04 3a13 h LEU 337 N 0.00 0.24 0.00 2.19 3.38 -1.36 -3.40 115.31 116.36 3a13 h LEU 337 Ca -0.00 -0.22 -0.37 0.00 0.09 0.00 0.00 57.88 57.38 3a13 h LEU 337 Cb 0.01 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3a13 h LEU 337 CO 0.00 1.08 -2.39 0.54 0.09 0.00 0.00 178.44 177.76 3a13 n ARG 338 N -3.57 0.71 -2.85 1.13 1.74 -0.45 -0.72 116.66 112.65 3a13 n ARG 338 Ca -0.04 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.66 3a13 n ARG 338 Cb 0.88 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3a13 n ARG 338 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a13 s GLU 339 N -2.49 4.71 0.29 5.56 2.02 -0.34 -4.56 118.70 123.88 3a13 s GLU 339 Ca -0.15 1.33 0.14 0.00 0.02 0.00 0.00 54.97 56.31 3a13 s GLU 339 Cb 0.07 -3.29 0.35 0.00 0.10 0.00 0.00 34.13 31.35 3a13 s GLU 339 CO 0.78 0.48 1.58 0.66 0.02 0.00 0.00 175.26 178.78 3a13 h SER 340 N 4.50 0.00 -2.23 -0.19 4.64 -1.91 -3.40 113.55 114.97 3a13 h SER 340 Ca -0.45 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.39 3a13 h SER 340 Cb 1.20 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.95 3a13 h SER 340 CO 0.68 0.57 -0.78 -2.28 -0.87 0.00 0.00 176.83 174.15 3a13 s HIS 341 N -3.37 0.21 -0.07 4.77 5.65 -1.26 -0.47 115.29 120.74 3a13 s HIS 341 Ca 0.00 -1.28 -0.30 0.00 0.25 0.00 0.00 55.06 53.73 3a13 s HIS 341 Cb 0.11 -0.64 -0.04 0.00 -1.18 0.00 0.00 32.58 30.83 3a13 s HIS 341 CO 0.74 -0.91 1.45 -0.47 -0.65 0.00 0.00 174.74 174.91 3a13 s TYR 342 N 1.15 2.52 -0.15 3.88 5.04 -0.24 -4.92 117.35 124.63 3a13 s TYR 342 Ca 0.19 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 3a13 s TYR 342 Cb -0.17 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.44 3a13 s TYR 342 CO -0.02 -2.75 -0.18 0.15 -1.34 0.00 0.00 175.55 171.41 3a13 s LYS 343 N 3.33 3.13 0.33 4.97 1.02 -1.26 -0.95 119.74 130.31 3a13 s LYS 343 Ca 0.65 -0.79 -0.28 0.00 0.02 0.00 0.00 55.97 55.57 3a13 s LYS 343 Cb -0.29 -2.57 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 3a13 s LYS 343 CO 0.24 -0.02 1.13 -1.25 -0.92 0.00 0.00 175.35 174.53 3a13 s PRO 344 N 0.87 4.43 0.58 -1.68 0.04 -1.26 -4.99 135.00 133.00 3a13 s PRO 344 Ca -0.05 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 3a13 s PRO 344 Cb -0.15 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 3a13 s PRO 344 CO -0.02 0.01 0.93 -0.25 0.04 0.00 0.00 177.00 177.72 3a13 n ASP 345 N 0.76 0.67 -0.34 6.66 8.00 -1.26 -4.81 116.55 126.23 3a13 n ASP 345 Ca 0.01 0.82 0.36 0.00 0.71 0.00 0.00 54.79 56.69 3a13 n ASP 345 Cb 0.45 -1.37 0.76 0.00 -0.02 0.00 0.00 41.12 40.94 3a13 n ASP 345 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3a13 h GLU 346 N 0.56 0.00 -0.48 -1.24 9.09 -2.02 0.13 114.58 120.61 3a13 h GLU 346 Ca -0.48 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3a13 h GLU 346 Cb 1.36 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 3a13 h GLU 346 CO 0.51 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.84 3a13 n ASN 347 N -4.17 3.32 -4.55 3.06 6.94 -1.26 -4.89 115.26 113.71 3a13 n ASN 347 Ca 0.26 -1.97 -0.43 0.00 -0.02 0.00 0.00 54.58 52.43 3a13 n ASN 347 Cb 1.28 -0.32 -0.04 0.00 -2.36 0.00 0.00 39.78 38.34 3a13 n ASN 347 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3a13 s ASP 348 N -1.29 6.41 0.00 0.53 -1.08 0.44 -4.88 116.67 116.81 3a13 s ASP 348 Ca 0.40 -0.11 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 3a13 s ASP 348 Cb 0.22 -2.47 1.13 0.00 -1.46 0.00 0.00 42.92 40.34 3a13 s ASP 348 CO 0.31 -1.24 1.77 1.33 0.52 0.00 0.00 175.17 177.86 3a13 n VAL 349 N 6.38 0.05 -0.08 1.11 0.24 -1.26 -4.33 118.33 120.45 3a13 n VAL 349 Ca 0.05 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 3a13 n VAL 349 Cb 0.48 0.22 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 3a13 n VAL 349 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3a13 n PHE 350 N -0.07 0.00 -4.37 6.34 3.72 -1.26 -4.95 117.46 116.87 3a13 n PHE 350 Ca 0.19 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.30 3a13 n PHE 350 Cb 0.28 -0.67 -0.12 0.00 -0.94 0.00 0.00 39.48 38.03 3a13 n PHE 350 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3a13 s HIS 351 N -2.34 2.38 0.23 1.38 3.76 -1.26 -4.32 115.29 115.12 3a13 s HIS 351 Ca -0.15 -0.34 0.10 0.00 -0.15 0.00 0.00 55.06 54.52 3a13 s HIS 351 Cb 0.05 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 3a13 s HIS 351 CO 0.48 0.37 -0.08 -0.51 -0.85 0.00 0.00 174.74 174.15 3a13 s LEU 352 N -2.17 2.99 0.56 0.89 1.43 -1.26 -4.73 118.68 116.38 3a13 s LEU 352 Ca 0.16 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.37 3a13 s LEU 352 Cb -0.10 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3a13 s LEU 352 CO 0.08 0.05 1.27 1.21 0.23 0.00 0.00 176.35 179.19 3a13 n GLU 353 N -0.45 1.48 -3.17 1.70 2.13 -1.26 -4.68 120.64 116.38 3a13 n GLU 353 Ca -0.08 0.55 0.04 0.00 0.66 0.00 0.00 57.16 58.33 3a13 n GLU 353 Cb 0.58 -2.47 -0.01 0.00 0.27 0.00 0.00 31.44 29.80 3a13 n GLU 353 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a13 s GLN 354 N -2.86 0.53 0.30 5.31 2.00 -0.13 -4.96 119.66 119.85 3a13 s GLN 354 Ca 0.73 0.96 -0.25 0.00 -2.00 0.00 0.00 55.36 54.80 3a13 s GLN 354 Cb -0.42 0.53 -0.10 0.00 0.80 0.00 0.00 33.01 33.83 3a13 s GLN 354 CO 0.48 -0.56 0.90 0.15 -0.50 0.00 0.00 175.29 175.76 3a13 s LYS 355 N 2.87 4.51 0.00 1.67 1.02 -1.26 -1.08 119.74 127.46 3a13 s LYS 355 Ca 0.17 1.23 0.09 0.00 0.02 0.00 0.00 55.97 57.48 3a13 s LYS 355 Cb -0.14 -2.81 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 3a13 s LYS 355 CO -0.20 0.30 0.60 1.19 -0.92 0.00 0.00 175.35 176.33 3a13 n PHE 356 N 0.58 0.00 0.00 3.18 3.72 0.37 -4.95 117.46 120.36 3a13 n PHE 356 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3a13 n PHE 356 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3a13 n PHE 356 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3a13 n TYR 357 N -0.29 0.00 -0.76 1.38 4.01 -1.25 -1.17 117.16 119.08 3a13 n TYR 357 Ca 0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.86 3a13 n TYR 357 Cb 0.20 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.53 3a13 n TYR 357 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a13 n SER 358 N 8.45 4.35 -4.61 7.72 3.41 -1.26 -4.89 113.62 126.78 3a13 n SER 358 Ca 0.00 -2.70 -0.43 0.00 -0.26 0.00 0.00 58.87 55.48 3a13 n SER 358 Cb 0.00 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 3a13 n SER 358 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a13 s ILE 359 N -2.29 3.68 1.01 -1.33 -1.09 -0.31 -4.98 121.20 115.89 3a13 s ILE 359 Ca 0.44 0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 59.48 3a13 s ILE 359 Cb 0.32 -3.79 0.18 0.00 -1.58 0.00 0.00 42.46 37.59 3a13 s ILE 359 CO 0.15 -0.42 0.99 0.29 -1.23 0.00 0.00 174.94 174.72 3a13 n LYS 360 N 7.97 -1.14 -2.60 2.79 5.02 -1.26 -4.93 118.16 124.00 3a13 n LYS 360 Ca 0.20 -0.28 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 3a13 n LYS 360 Cb 0.46 -2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.20 3a13 n LYS 360 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a13 s ALA 361 N -2.53 3.31 0.24 7.82 0.00 -1.26 -4.58 121.76 124.76 3a13 s ALA 361 Ca 0.66 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 3a13 s ALA 361 Cb -0.23 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 3a13 s ALA 361 CO 0.62 -0.16 0.55 0.00 0.00 0.00 0.00 175.76 176.77 3a13 s ALA 362 N 0.05 3.58 -0.49 0.00 0.00 0.10 -0.52 121.76 124.48 3a13 s ALA 362 Ca 0.49 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 3a13 s ALA 362 Cb -0.26 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.48 3a13 s ALA 362 CO 0.32 0.46 0.92 0.12 0.00 0.00 0.00 175.76 177.57 3a13 s PHE 363 N -1.87 2.88 0.38 0.00 2.19 0.13 -4.21 117.98 117.47 3a13 s PHE 363 Ca 0.47 0.21 -0.27 0.00 0.33 0.00 0.00 56.93 57.66 3a13 s PHE 363 Cb -0.11 -3.98 -0.09 0.00 -1.31 0.00 0.00 43.02 37.53 3a13 s PHE 363 CO 0.23 -1.18 1.32 -2.14 1.83 0.00 0.00 175.22 175.28 3a13 s PRO 364 N 3.78 4.10 -0.15 10.12 0.02 -1.26 -1.86 135.00 149.75 3a13 s PRO 364 Ca 0.34 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.59 3a13 s PRO 364 Cb -0.11 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.54 3a13 s PRO 364 CO 0.23 -0.40 -0.20 0.99 -0.33 0.00 0.00 177.00 177.29 3a13 s THR 365 N -1.21 2.18 -0.18 0.99 2.01 0.14 -0.91 115.64 118.67 3a13 s THR 365 Ca 0.54 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 3a13 s THR 365 Cb -0.39 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3a13 s THR 365 CO 0.52 0.54 -0.04 -0.55 -0.69 0.00 0.00 174.62 174.40 3a13 s SER 366 N 0.89 4.60 -0.05 3.53 0.15 0.55 -0.89 113.70 122.49 3a13 s SER 366 Ca -0.05 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.07 3a13 s SER 366 Cb -0.15 -1.76 0.09 0.00 -1.71 0.00 0.00 66.02 62.49 3a13 s SER 366 CO -0.03 0.09 0.79 -0.55 1.20 0.00 0.00 173.24 174.74 3a13 s SER 367 N 0.81 -0.53 0.00 5.45 0.15 -1.26 -1.62 113.70 116.70 3a13 s SER 367 Ca -0.01 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.09 3a13 s SER 367 Cb -0.15 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3a13 s SER 367 CO 0.02 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.49 3a13 n GLY 368 N 0.56 1.54 2.06 9.45 0.00 -1.26 -4.64 105.19 112.90 3a13 n GLY 368 Ca -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 3a13 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 369 N 0.32 0.31 3.80 -0.02 0.00 -1.26 -1.61 105.19 106.73 3a13 n GLY 369 Ca 0.00 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3a13 n GLY 369 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 370 N -0.75 4.30 0.38 0.99 1.43 -1.26 -4.46 118.68 119.30 3a13 s LEU 370 Ca 0.00 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 3a13 s LEU 370 Cb 0.00 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3a13 s LEU 370 CO 0.00 0.29 0.12 -1.38 0.23 0.00 0.00 176.35 175.61 3a13 s HIS 371 N -0.30 1.79 -0.21 0.29 -3.43 -1.26 -3.78 115.29 108.39 3a13 s HIS 371 Ca 0.11 -1.23 0.23 0.00 -0.80 0.00 0.00 55.06 53.38 3a13 s HIS 371 Cb -0.12 -1.15 1.20 0.00 -1.43 0.00 0.00 32.58 31.08 3a13 s HIS 371 CO 0.01 -0.26 1.71 -1.35 -2.00 0.00 0.00 174.74 172.85 3a13 h PRO 372 N 1.90 0.00 -0.07 -0.38 0.11 -1.92 -1.76 132.00 129.87 3a13 h PRO 372 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a13 h PRO 372 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3a13 h PRO 372 CO 0.59 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 3a13 n GLY 373 N -0.98 0.21 1.03 -0.55 0.00 -1.26 -4.17 105.19 99.48 3a13 n GLY 373 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.56 3a13 n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a13 n ASN 374 N 0.35 0.35 0.03 1.61 6.94 -0.67 -4.06 115.26 119.81 3a13 n ASN 374 Ca 0.18 -1.92 0.11 0.00 -0.02 0.00 0.00 54.58 52.94 3a13 n ASN 374 Cb 0.38 -0.17 0.03 0.00 -2.36 0.00 0.00 39.78 37.65 3a13 n ASN 374 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 3a13 n ILE 375 N 0.23 0.18 -0.08 1.53 -5.35 -1.20 -4.39 119.36 110.27 3a13 n ILE 375 Ca -0.01 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.14 3a13 n ILE 375 Cb 0.89 0.20 -0.02 0.00 -1.74 0.00 0.00 39.64 38.97 3a13 n ILE 375 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3a13 h GLN 376 N 0.00 0.39 0.00 6.28 -0.00 -1.89 -1.41 115.11 118.48 3a13 h GLN 376 Ca 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.58 3a13 h GLN 376 Cb 0.73 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.12 3a13 h GLN 376 CO 0.00 0.31 -0.17 -1.35 0.00 0.00 0.00 178.83 177.63 3a13 h PRO 377 N 0.36 0.00 -0.05 -2.39 0.11 -1.97 0.11 132.00 128.17 3a13 h PRO 377 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3a13 h PRO 377 Cb 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3a13 h PRO 377 CO -0.02 0.17 -0.07 0.28 -0.21 0.00 0.00 178.00 178.14 3a13 h VAL 378 N 0.00 1.40 0.00 3.15 2.07 -1.66 -2.56 116.25 118.65 3a13 h VAL 378 Ca -0.00 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 3a13 h VAL 378 Cb 0.29 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3a13 h VAL 378 CO 0.02 0.36 -0.43 0.40 0.02 0.00 0.00 177.57 177.94 3a13 h ILE 379 N -0.34 1.15 -0.16 4.57 2.04 -0.95 -1.00 117.51 122.83 3a13 h ILE 379 Ca 0.01 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 3a13 h ILE 379 Cb 0.62 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3a13 h ILE 379 CO 0.02 0.42 -0.03 -0.33 0.00 0.00 0.00 178.15 178.23 3a13 h GLU 380 N 0.00 0.30 -0.30 2.37 4.39 -1.01 0.15 114.58 120.49 3a13 h GLU 380 Ca -0.00 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3a13 h GLU 380 Cb 0.84 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 3a13 h GLU 380 CO 0.06 0.57 0.04 0.00 -1.16 0.00 0.00 179.01 178.52 3a13 h ALA 381 N 0.72 0.39 0.00 3.43 0.00 -1.18 -3.34 119.26 119.28 3a13 h ALA 381 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 381 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a13 h ALA 381 CO 0.01 0.09 -0.73 1.28 0.00 0.00 0.00 179.25 179.90 3a13 n LEU 382 N -4.63 0.65 0.00 0.00 4.77 -0.40 -4.90 117.00 112.49 3a13 n LEU 382 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3a13 n LEU 382 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3a13 n LEU 382 CO 0.38 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3a13 n GLY 383 N 1.36 -1.89 0.00 -0.72 0.00 0.54 -4.53 105.19 99.94 3a13 n GLY 383 Ca 0.02 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.77 3a13 n GLY 383 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a13 n THR 384 N -0.06 0.00 -2.19 2.61 -2.24 -1.26 -4.54 114.28 106.60 3a13 n THR 384 Ca 0.00 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3a13 n THR 384 Cb 0.00 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3a13 n THR 384 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a13 n ASP 385 N -1.49 4.51 -3.78 3.42 8.00 -1.26 -2.87 116.55 123.07 3a13 n ASP 385 Ca 0.04 -2.92 -0.10 0.00 0.71 0.00 0.00 54.79 52.53 3a13 n ASP 385 Cb 0.33 -1.65 -0.06 0.00 -0.02 0.00 0.00 41.12 39.73 3a13 n ASP 385 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3a13 s ILE 386 N 2.90 0.07 -0.16 0.53 -4.36 -1.26 -4.43 121.20 114.49 3a13 s ILE 386 Ca 0.47 -0.95 -0.05 0.00 -0.26 0.00 0.00 60.65 59.86 3a13 s ILE 386 Cb 0.09 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.30 3a13 s ILE 386 CO -0.02 -0.34 0.01 -0.69 0.24 0.00 0.00 174.94 174.14 3a13 s VAL 387 N -3.87 4.31 -0.16 8.37 1.01 -0.09 -1.70 120.40 128.26 3a13 s VAL 387 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3a13 s VAL 387 Cb 0.02 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3a13 s VAL 387 CO -0.07 0.49 0.07 -0.76 0.00 0.00 0.00 175.10 174.83 3a13 s LEU 388 N 0.29 3.88 -0.19 3.92 1.43 0.40 -0.33 118.68 128.08 3a13 s LEU 388 Ca -0.00 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3a13 s LEU 388 Cb -0.13 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3a13 s LEU 388 CO 0.02 0.23 -0.18 -1.58 0.23 0.00 0.00 176.35 175.07 3a13 s GLN 389 N 0.02 2.97 -0.31 1.70 -0.44 -0.64 -2.08 119.66 120.89 3a13 s GLN 389 Ca 0.06 -0.85 0.01 0.00 -2.50 0.00 0.00 55.36 52.09 3a13 s GLN 389 Cb -0.12 -2.62 0.09 0.00 -1.64 0.00 0.00 33.01 28.72 3a13 s GLN 389 CO 0.01 -0.23 0.06 -0.51 0.50 0.00 0.00 175.29 175.11 3a13 s LEU 390 N 1.29 3.32 0.00 3.68 1.02 -1.11 -3.98 118.68 122.90 3a13 s LEU 390 Ca 0.04 -1.78 0.00 0.00 0.02 0.00 0.00 54.13 52.42 3a13 s LEU 390 Cb -0.14 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.85 3a13 s LEU 390 CO -0.12 -0.37 0.00 0.61 0.02 0.00 0.00 176.35 176.49 3a13 n GLY 391 N 4.58 1.42 0.40 -3.19 0.00 -1.26 -3.57 105.19 103.57 3a13 n GLY 391 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.22 3a13 n GLY 391 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a13 h GLY 392 N 0.00 0.00 1.38 -0.02 0.00 -1.88 -0.14 103.07 102.41 3a13 h GLY 392 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a13 h GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a13 n GLY 393 N -1.52 -1.04 0.77 4.60 0.00 -1.25 -1.74 105.19 105.01 3a13 n GLY 393 Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 3a13 n GLY 393 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a13 n THR 394 N -1.19 0.70 0.26 2.61 -1.04 -0.11 -4.47 114.28 111.04 3a13 n THR 394 Ca 0.15 0.03 0.14 0.00 -2.04 0.00 0.00 64.05 62.33 3a13 n THR 394 Cb 0.17 -1.67 0.67 0.00 -1.82 0.00 0.00 70.33 67.68 3a13 n THR 394 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a13 h LEU 395 N -0.28 0.00 -0.51 -4.42 4.07 -1.53 -2.82 115.31 109.83 3a13 h LEU 395 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3a13 h LEU 395 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 3a13 h LEU 395 CO -0.08 0.10 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 3a13 n GLY 396 N -0.19 -0.45 3.73 0.83 0.00 -0.71 -4.35 105.19 104.05 3a13 n GLY 396 Ca -0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3a13 n GLY 396 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a13 s HIS 397 N -1.96 2.95 0.25 1.61 5.04 -1.06 -4.90 115.29 117.23 3a13 s HIS 397 Ca 0.38 0.67 -0.03 0.00 -1.54 0.00 0.00 55.06 54.54 3a13 s HIS 397 Cb 0.19 -3.99 0.51 0.00 0.04 0.00 0.00 32.58 29.33 3a13 s HIS 397 CO 0.31 -3.53 1.70 -1.00 -2.34 0.00 0.00 174.74 169.88 3a13 h PRO 398 N 6.05 0.35 0.00 2.88 0.13 -1.90 1.42 132.00 140.92 3a13 h PRO 398 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3a13 h PRO 398 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3a13 h PRO 398 CO 0.87 0.23 0.00 -0.25 -0.23 0.00 0.00 178.00 178.62 3a13 n ASP 399 N -5.08 0.00 0.00 1.44 9.92 -1.26 -5.00 116.55 116.57 3a13 n ASP 399 Ca 0.16 -0.78 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 3a13 n ASP 399 Cb 0.48 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 3a13 n ASP 399 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3a13 n GLY 400 N 0.57 -1.02 0.00 0.44 0.00 0.49 -4.46 105.19 101.21 3a13 n GLY 400 Ca 0.19 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3a13 n GLY 400 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a13 n PRO 401 N -1.07 0.00 -0.35 1.61 -0.02 -1.26 -1.03 135.00 132.88 3a13 n PRO 401 Ca 0.00 0.16 0.31 0.00 -2.02 0.00 0.00 63.50 61.95 3a13 n PRO 401 Cb 0.00 -0.33 0.65 0.00 -0.02 0.00 0.00 33.50 33.80 3a13 n PRO 401 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a13 h ALA 402 N -0.72 2.75 0.01 3.55 0.00 -1.86 0.26 119.26 123.25 3a13 h ALA 402 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a13 h ALA 402 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a13 h ALA 402 CO 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 179.25 178.08 3a13 h ALA 403 N 1.50 -0.01 -0.86 0.00 0.00 -1.30 -2.81 119.26 115.78 3a13 h ALA 403 Ca 0.62 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.38 3a13 h ALA 403 Cb 2.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 3a13 h ALA 403 CO -0.17 -0.20 0.56 0.78 0.00 0.00 0.00 179.25 180.22 3a13 h GLY 404 N -0.63 1.03 0.41 0.00 0.00 0.64 -1.29 103.07 103.23 3a13 h GLY 404 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3a13 h GLY 404 CO 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 176.54 176.41 3a13 h ALA 405 N 1.61 -0.82 -1.32 3.60 0.00 -1.33 -0.98 119.26 120.02 3a13 h ALA 405 Ca 0.43 -0.12 0.38 0.00 0.00 0.00 0.00 54.91 55.61 3a13 h ALA 405 Cb 0.83 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3a13 h ALA 405 CO -0.18 -0.78 1.08 0.00 0.00 0.00 0.00 179.25 179.37 3a13 h ARG 406 N -0.74 0.00 0.22 0.00 3.08 -1.21 0.35 114.38 116.08 3a13 h ARG 406 Ca -0.06 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.65 3a13 h ARG 406 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.49 3a13 h ARG 406 CO 0.09 0.00 -1.62 0.00 -1.07 0.00 0.00 179.97 177.37 3a13 h ALA 407 N 1.08 0.00 -0.52 0.04 0.00 -1.13 -1.09 119.26 117.64 3a13 h ALA 407 Ca 0.63 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3a13 h ALA 407 Cb 2.78 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 20.87 3a13 h ALA 407 CO -0.01 0.87 0.19 0.28 0.00 0.00 0.00 179.25 180.58 3a13 h VAL 408 N 0.13 1.22 0.00 0.00 2.07 0.99 0.23 116.25 120.89 3a13 h VAL 408 Ca -0.30 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3a13 h VAL 408 Cb 2.14 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3a13 h VAL 408 CO 0.23 0.27 -0.08 -0.09 0.02 0.00 0.00 177.57 177.92 3a13 h ARG 409 N 0.70 0.00 0.03 1.57 9.65 -0.95 -2.24 114.38 123.14 3a13 h ARG 409 Ca 0.17 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3a13 h ARG 409 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3a13 h ARG 409 CO -0.01 0.08 -0.01 1.96 2.80 0.00 0.00 179.97 184.79 3a13 h GLN 410 N 0.00 -0.03 -0.14 0.20 4.20 0.04 -2.70 115.11 116.68 3a13 h GLN 410 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3a13 h GLN 410 Cb 0.41 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3a13 h GLN 410 CO 0.01 0.67 0.13 0.00 -0.67 0.00 0.00 178.83 178.97 3a13 h ALA 411 N 0.03 1.85 0.09 3.87 0.00 -0.40 -0.58 119.26 124.12 3a13 h ALA 411 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3a13 h ALA 411 Cb 0.72 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3a13 h ALA 411 CO 0.01 -0.20 -1.16 0.82 0.00 0.00 0.00 179.25 178.71 3a13 h ILE 412 N 0.00 1.38 -0.56 0.00 2.04 -1.46 -2.37 117.51 116.54 3a13 h ILE 412 Ca 0.07 -2.64 -0.06 0.00 1.00 0.00 0.00 64.86 63.23 3a13 h ILE 412 Cb 0.33 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 3a13 h ILE 412 CO -0.00 0.79 0.11 0.44 0.00 0.00 0.00 178.15 179.49 3a13 h ASP 413 N 0.20 0.83 0.88 1.72 3.32 -0.82 -1.54 116.42 121.02 3a13 h ASP 413 Ca -0.14 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 3a13 h ASP 413 Cb 1.84 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 41.18 3a13 h ASP 413 CO 0.21 0.83 -0.42 0.00 -1.72 0.00 0.00 179.24 178.13 3a13 h ALA 414 N 1.28 -1.19 -0.21 3.45 0.00 -1.15 -3.02 119.26 118.43 3a13 h ALA 414 Ca 0.18 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3a13 h ALA 414 Cb 0.34 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3a13 h ALA 414 CO 0.00 -1.16 -0.11 0.82 0.00 0.00 0.00 179.25 178.81 3a13 h ILE 415 N -1.21 0.67 0.00 0.00 2.04 -1.34 0.25 117.51 117.92 3a13 h ILE 415 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3a13 h ILE 415 Cb 0.91 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3a13 h ILE 415 CO 0.20 0.00 0.15 0.24 0.00 0.00 0.00 178.15 178.74 3a13 h MET 416 N -0.09 0.00 -0.03 2.37 2.86 -1.32 -1.91 114.93 116.81 3a13 h MET 416 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3a13 h MET 416 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3a13 h MET 416 CO -0.26 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.75 3a13 n GLN 417 N -2.20 0.25 0.00 1.72 6.02 0.74 -5.00 117.38 118.91 3a13 n GLN 417 Ca -0.01 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 3a13 n GLN 417 Cb 0.18 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3a13 n GLN 417 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a13 n GLY 418 N 0.08 2.83 3.63 1.08 0.00 -0.37 -4.96 105.19 107.48 3a13 n GLY 418 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3a13 n GLY 418 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a13 n ILE 419 N -1.19 0.52 -1.92 -0.61 2.08 -1.12 -4.93 119.36 112.19 3a13 n ILE 419 Ca 0.00 -0.23 -0.38 0.00 0.56 0.00 0.00 62.75 62.70 3a13 n ILE 419 Cb 0.00 -2.15 0.03 0.00 -0.75 0.00 0.00 39.64 36.77 3a13 n ILE 419 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3a13 s PRO 420 N 5.06 3.28 0.24 0.38 0.02 -1.26 -4.16 135.00 138.56 3a13 s PRO 420 Ca 0.96 2.09 -0.09 0.00 0.02 0.00 0.00 61.00 63.98 3a13 s PRO 420 Cb -0.55 -2.27 0.37 0.00 0.02 0.00 0.00 34.50 32.06 3a13 s PRO 420 CO 0.45 -1.04 1.62 1.37 -0.33 0.00 0.00 177.00 179.07 3a13 h LEU 421 N 1.56 -0.50 -0.64 -5.54 -0.00 -1.95 -0.27 115.31 107.98 3a13 h LEU 421 Ca -0.50 0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.54 3a13 h LEU 421 Cb 1.29 0.39 -0.03 0.00 -0.00 0.00 0.00 40.66 42.31 3a13 h LEU 421 CO 0.58 -0.21 0.22 0.44 -0.00 0.00 0.00 178.44 179.47 3a13 h ASP 422 N 0.05 0.91 0.92 0.17 3.32 -2.00 0.15 116.42 119.94 3a13 h ASP 422 Ca 0.38 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a13 h ASP 422 Cb 0.63 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3a13 h ASP 422 CO -0.70 0.86 0.00 -0.62 -1.72 0.00 0.00 179.24 177.06 3a13 n GLU 423 N -4.39 0.18 -0.03 3.56 4.71 -0.23 -2.84 120.64 121.60 3a13 n GLU 423 Ca 0.04 0.32 0.03 0.00 -0.01 0.00 0.00 57.16 57.53 3a13 n GLU 423 Cb 0.20 -1.78 -0.14 0.00 -1.01 0.00 0.00 31.44 28.70 3a13 n GLU 423 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 3a13 n TYR 424 N -2.10 0.20 -0.05 -0.32 9.36 -0.50 -4.49 117.16 119.26 3a13 n TYR 424 Ca 0.04 0.06 -0.13 0.00 3.32 0.00 0.00 57.90 61.19 3a13 n TYR 424 Cb 0.28 -0.77 -0.08 0.00 -0.63 0.00 0.00 39.34 38.14 3a13 n TYR 424 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3a13 h ALA 425 N 1.59 0.17 -1.28 2.98 0.00 -0.83 -3.10 119.26 118.80 3a13 h ALA 425 Ca -0.20 -0.31 0.45 0.00 0.00 0.00 0.00 54.91 54.84 3a13 h ALA 425 Cb 1.49 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 3a13 h ALA 425 CO 0.02 0.03 0.80 0.87 0.00 0.00 0.00 179.25 180.96 3a13 h LYS 426 N -0.11 0.04 -0.67 0.00 1.57 -1.78 1.07 116.57 116.70 3a13 h LYS 426 Ca 0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3a13 h LYS 426 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3a13 h LYS 426 CO 0.03 0.03 0.00 -2.37 -0.57 0.00 0.00 179.45 176.57 3a13 n THR 427 N -4.84 1.12 -3.38 -0.16 5.66 -1.19 -4.82 114.28 106.67 3a13 n THR 427 Ca 0.39 -1.03 -0.15 0.00 -3.05 0.00 0.00 64.05 60.21 3a13 n THR 427 Cb 1.45 0.45 -0.09 0.00 -1.55 0.00 0.00 70.33 70.59 3a13 n THR 427 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3a13 s HIS 428 N -1.12 -0.61 0.10 1.09 3.76 0.37 -5.08 115.29 113.79 3a13 s HIS 428 Ca 0.46 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.12 3a13 s HIS 428 Cb 0.25 -0.34 -0.12 0.00 1.11 0.00 0.00 32.58 33.47 3a13 s HIS 428 CO 0.30 -0.90 1.62 1.57 -0.85 0.00 0.00 174.74 176.48 3a13 h LYS 429 N 8.23 -0.65 -0.83 1.40 -0.00 -1.88 -2.89 116.57 119.95 3a13 h LYS 429 Ca -0.13 0.04 0.13 0.00 -0.00 0.00 0.00 60.65 60.70 3a13 h LYS 429 Cb 1.10 0.15 -0.09 0.00 -0.00 0.00 0.00 32.23 33.39 3a13 h LYS 429 CO 0.31 -0.44 0.43 0.93 -0.00 0.00 0.00 179.45 180.68 3a13 h GLU 430 N -0.68 0.62 -0.21 0.07 3.07 -1.92 -0.34 114.58 115.19 3a13 h GLU 430 Ca -0.01 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 3a13 h GLU 430 Cb 0.63 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 3a13 h GLU 430 CO -0.09 0.41 0.03 1.25 -1.40 0.00 0.00 179.01 179.21 3a13 h LEU 431 N 0.64 -0.02 -0.76 1.33 5.85 -1.80 -1.57 115.31 118.97 3a13 h LEU 431 Ca 0.44 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.16 3a13 h LEU 431 Cb 0.58 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3a13 h LEU 431 CO -0.34 0.02 0.34 0.00 -0.34 0.00 0.00 178.44 178.12 3a13 h ALA 432 N 1.16 0.99 -0.86 1.25 0.00 -0.92 -0.25 119.26 120.63 3a13 h ALA 432 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a13 h ALA 432 Cb 0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3a13 h ALA 432 CO -0.14 0.58 0.57 0.00 0.00 0.00 0.00 179.25 180.25 3a13 h ARG 433 N 1.09 1.12 -0.14 0.00 2.47 -0.97 0.20 114.38 118.14 3a13 h ARG 433 Ca 0.26 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 3a13 h ARG 433 Cb 0.16 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3a13 h ARG 433 CO -0.03 0.74 0.04 0.00 0.56 0.00 0.00 179.97 181.29 3a13 h ALA 434 N 1.32 0.19 -0.77 0.04 0.00 -0.51 -2.70 119.26 116.84 3a13 h ALA 434 Ca 0.32 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3a13 h ALA 434 Cb -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3a13 h ALA 434 CO -0.08 -0.20 0.51 -0.07 0.00 0.00 0.00 179.25 179.41 3a13 h LEU 435 N 0.05 0.82 -1.05 0.00 3.38 -0.72 -0.91 115.31 116.89 3a13 h LEU 435 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3a13 h LEU 435 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3a13 h LEU 435 CO -0.00 0.57 0.37 -0.08 0.09 0.00 0.00 178.44 179.38 3a13 h GLU 436 N 0.95 1.04 0.13 1.13 4.81 -0.41 0.69 114.58 122.93 3a13 h GLU 436 Ca 0.30 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 3a13 h GLU 436 Cb 0.03 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.23 3a13 h GLU 436 CO -0.09 0.79 -0.79 -0.22 -0.73 0.00 0.00 179.01 177.98 3a13 h LYS 437 N 1.04 0.28 0.00 1.92 3.64 -1.10 -3.41 116.57 118.94 3a13 h LYS 437 Ca 0.26 -0.48 -0.24 0.00 -1.27 0.00 0.00 60.65 58.92 3a13 h LYS 437 Cb 0.08 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3a13 h LYS 437 CO -0.04 1.23 -1.90 0.91 -2.27 0.00 0.00 179.45 177.38 3a13 n TRP 438 N -4.15 0.00 0.00 1.91 8.01 -0.40 -5.08 117.44 117.74 3a13 n TRP 438 Ca -0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.05 3a13 n TRP 438 Cb 0.81 -0.64 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 3a13 n TRP 438 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a13 n GLY 439 N 2.32 2.57 0.90 6.99 0.00 0.24 -2.52 105.19 115.70 3a13 n GLY 439 Ca -0.23 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3a13 n GLY 439 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a13 n HIS 440 N 13.18 0.48 -1.96 1.61 8.25 -1.26 -4.12 115.22 131.40 3a13 n HIS 440 Ca 0.00 -1.59 -0.35 0.00 -0.26 0.00 0.00 57.72 55.53 3a13 n HIS 440 Cb 0.00 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 30.88 3a13 n HIS 440 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a13 s VAL 441 N -3.35 2.99 -0.42 1.59 0.11 -1.05 -4.84 120.40 115.43 3a13 s VAL 441 Ca 0.40 0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 59.95 3a13 s VAL 441 Cb 0.38 -3.14 0.11 0.00 -1.53 0.00 0.00 36.38 32.19 3a13 s VAL 441 CO -0.05 -0.20 0.24 -0.89 -3.33 0.00 0.00 175.10 170.87 3a13 s THR 442 N -1.93 3.55 0.51 5.04 2.01 -1.26 -4.76 115.64 118.79 3a13 s THR 442 Ca 0.72 -1.95 -0.23 0.00 0.31 0.00 0.00 61.69 60.54 3a13 s THR 442 Cb -0.25 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 3a13 s THR 442 CO 0.35 -0.69 1.34 -2.65 -0.69 0.00 0.00 174.62 172.28 3a13 n PRO 443 N 4.69 1.81 0.00 4.92 -0.02 -1.26 -4.96 135.00 140.18 3a13 n PRO 443 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3a13 n PRO 443 Cb 0.41 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3a13 n PRO 443 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76