#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 0.04 9.51 4.01 -1.26 -4.20 117.16 125.26 3a13 n TYR 9 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 3a13 n TYR 9 Cb 0.00 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.13 3a13 n TYR 9 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3a13 n ASP 10 N -0.72 0.10 0.16 7.72 8.00 -1.26 -0.24 116.55 130.30 3a13 n ASP 10 Ca 0.10 0.43 0.02 0.00 0.71 0.00 0.00 54.79 56.05 3a13 n ASP 10 Cb 0.04 -0.43 0.35 0.00 -0.02 0.00 0.00 41.12 41.07 3a13 n ASP 10 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3a13 h TYR 11 N 0.00 0.10 -0.33 1.24 3.20 -1.97 -2.98 116.97 116.23 3a13 h TYR 11 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3a13 h TYR 11 Cb 0.28 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3a13 h TYR 11 CO 0.00 0.40 0.00 0.66 -1.64 0.00 0.00 178.16 177.58 3a13 n TYR 12 N -4.14 0.44 -4.67 -3.82 4.01 0.66 -4.78 117.16 104.86 3a13 n TYR 12 Ca -0.02 -0.22 -0.33 0.00 -0.16 0.00 0.00 57.90 57.17 3a13 n TYR 12 Cb 0.38 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.56 3.11 -0.40 -0.72 1.01 -1.13 -1.07 120.40 119.65 3a13 s VAL 13 Ca 0.25 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3a13 s VAL 13 Cb 0.13 -2.32 0.17 0.00 0.00 0.00 0.00 36.38 34.36 3a13 s VAL 13 CO 0.18 0.52 0.50 -0.62 0.00 0.00 0.00 175.10 175.67 3a13 s ASP 14 N 0.45 -0.05 0.00 3.32 -1.08 0.07 -4.91 116.67 114.46 3a13 s ASP 14 Ca -0.09 -1.38 0.14 0.00 -0.52 0.00 0.00 52.55 50.70 3a13 s ASP 14 Cb -0.16 1.15 0.73 0.00 -1.46 0.00 0.00 42.92 43.19 3a13 s ASP 14 CO 0.04 -0.20 1.39 0.29 0.52 0.00 0.00 175.17 177.21 3a13 n LYS 15 N 4.11 0.22 0.07 4.34 5.02 -1.26 -1.81 118.16 128.85 3a13 n LYS 15 Ca 0.13 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 3a13 n LYS 15 Cb 0.51 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 3a13 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a13 n GLY 16 N -0.06 -1.38 3.77 0.72 0.00 -1.26 -4.90 105.19 102.07 3a13 n GLY 16 Ca 0.07 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3a13 n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a13 s TYR 17 N -3.27 3.10 -0.27 1.61 5.04 -0.75 -5.02 117.35 117.79 3a13 s TYR 17 Ca 0.02 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.21 3a13 s TYR 17 Cb 0.12 -3.47 0.06 0.00 0.35 0.00 0.00 41.96 39.02 3a13 s TYR 17 CO 0.78 -1.41 -0.09 -2.00 -1.34 0.00 0.00 175.55 171.49 3a13 s GLU 18 N -2.07 2.21 0.43 4.97 2.56 -1.26 -4.92 118.70 120.62 3a13 s GLU 18 Ca 0.54 -1.37 -0.26 0.00 0.00 0.00 0.00 54.97 53.87 3a13 s GLU 18 Cb -0.34 -2.94 -0.09 0.00 2.00 0.00 0.00 34.13 32.76 3a13 s GLU 18 CO 0.43 -0.60 1.39 -0.35 -0.56 0.00 0.00 175.26 175.57 3a13 n PRO 19 N 4.44 2.22 -3.03 4.30 -0.04 -1.26 -4.96 135.00 136.67 3a13 n PRO 19 Ca -0.13 0.79 -0.41 0.00 -0.04 0.00 0.00 63.50 63.70 3a13 n PRO 19 Cb 0.42 -2.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 3a13 n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3a13 s SER 20 N -0.43 6.59 0.61 3.54 0.15 -1.26 -4.94 113.70 117.96 3a13 s SER 20 Ca 0.60 0.57 0.32 0.00 0.70 0.00 0.00 55.95 58.13 3a13 s SER 20 Cb -0.47 -2.37 1.80 0.00 -1.71 0.00 0.00 66.02 63.27 3a13 s SER 20 CO 0.59 -0.54 2.13 0.11 1.20 0.00 0.00 173.24 176.73 3a13 h LYS 21 N 8.13 0.00 0.00 5.44 6.56 -1.93 -0.72 116.57 134.05 3a13 h LYS 21 Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 3a13 h LYS 21 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3a13 h LYS 21 CO 0.84 0.00 -1.69 1.63 -2.06 0.00 0.00 179.45 178.17 3a13 n LYS 22 N -3.54 0.56 0.00 3.15 4.76 -1.26 -4.48 118.16 117.35 3a13 n LYS 22 Ca 0.00 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3a13 n LYS 22 Cb 0.28 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.23 3.11 -4.06 1.97 1.74 -0.90 -4.60 116.66 111.69 3a13 n ARG 23 Ca -0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.71 3a13 n ARG 23 Cb 0.53 -0.72 -0.09 0.00 -1.02 0.00 0.00 32.46 31.16 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 -1.38 5.72 0.21 0.55 1.01 -0.32 -0.70 116.67 121.76 3a13 s ASP 24 Ca 0.00 0.19 -0.28 0.00 0.71 0.00 0.00 52.55 53.18 3a13 s ASP 24 Cb 0.00 -1.87 -0.09 0.00 1.01 0.00 0.00 42.92 41.98 3a13 s ASP 24 CO 0.00 0.28 0.86 -0.63 0.21 0.00 0.00 175.17 175.90 3a13 s ILE 25 N -0.27 4.22 -0.16 0.77 1.09 0.76 -4.07 121.20 123.53 3a13 s ILE 25 Ca 0.08 1.89 0.00 0.00 -1.10 0.00 0.00 60.65 61.53 3a13 s ILE 25 Cb -0.12 -4.22 0.03 0.00 -1.06 0.00 0.00 42.46 37.09 3a13 s ILE 25 CO 0.01 0.48 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.57 3a13 s ILE 26 N -1.20 1.61 -0.12 2.92 1.01 -0.87 -0.38 121.20 124.17 3a13 s ILE 26 Ca 0.39 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 3a13 s ILE 26 Cb -0.24 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3a13 s ILE 26 CO 0.29 0.40 0.35 0.00 0.00 0.00 0.00 174.94 175.97 3a13 s ALA 27 N 1.46 3.60 -0.28 9.38 0.00 -0.60 -0.09 121.76 135.22 3a13 s ALA 27 Ca 0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 3a13 s ALA 27 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 3a13 s ALA 27 CO -0.10 0.16 0.10 0.08 0.00 0.00 0.00 175.76 176.00 3a13 s VAL 28 N 0.16 4.28 -0.01 0.00 1.01 -0.59 -1.01 120.40 124.23 3a13 s VAL 28 Ca 0.20 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3a13 s VAL 28 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3a13 s VAL 28 CO 0.07 0.17 -0.13 -0.36 0.00 0.00 0.00 175.10 174.85 3a13 s PHE 29 N 1.58 2.72 -0.42 5.22 0.08 -0.20 0.28 117.98 127.24 3a13 s PHE 29 Ca 0.05 -0.15 -0.19 0.00 0.12 0.00 0.00 56.93 56.76 3a13 s PHE 29 Cb -0.16 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3a13 s PHE 29 CO 0.04 0.26 0.53 0.50 -0.10 0.00 0.00 175.22 176.44 3a13 s ARG 30 N -1.09 3.23 -0.19 0.44 3.52 0.13 -0.18 118.95 124.82 3a13 s ARG 30 Ca 0.14 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.14 3a13 s ARG 30 Cb -0.11 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.31 3a13 s ARG 30 CO 0.04 -0.89 0.02 0.08 -0.81 0.00 0.00 175.30 173.74 3a13 s VAL 31 N 2.44 4.30 -0.36 7.11 1.01 0.98 -1.08 120.40 134.81 3a13 s VAL 31 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3a13 s VAL 31 Cb -0.16 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.37 3a13 s VAL 31 CO 0.16 0.44 0.11 -0.89 0.00 0.00 0.00 175.10 174.92 3a13 s THR 32 N 0.71 3.09 0.45 3.92 2.01 -0.49 -0.39 115.64 124.94 3a13 s THR 32 Ca 0.01 -1.83 -0.24 0.00 0.31 0.00 0.00 61.69 59.94 3a13 s THR 32 Cb -0.14 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 3a13 s THR 32 CO 0.02 -0.46 1.30 -2.84 -0.69 0.00 0.00 174.62 171.95 3a13 s PRO 33 N 1.16 3.72 0.95 4.92 0.02 -1.26 0.75 135.00 145.25 3a13 s PRO 33 Ca 0.04 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 3a13 s PRO 33 Cb -0.21 -2.57 0.16 0.00 0.02 0.00 0.00 34.50 31.90 3a13 s PRO 33 CO -0.03 -0.69 1.10 0.00 -0.33 0.00 0.00 177.00 177.04 3a13 s ALA 34 N -1.32 1.14 0.16 -1.55 0.00 -0.62 -4.29 121.76 115.28 3a13 s ALA 34 Ca 0.62 0.18 -0.33 0.00 0.00 0.00 0.00 51.96 52.43 3a13 s ALA 34 Cb -0.37 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 3a13 s ALA 34 CO 0.47 -2.77 1.64 -1.91 0.00 0.00 0.00 175.76 173.19 3a13 n GLU 35 N -4.20 2.36 -0.37 0.00 4.07 -1.26 -2.49 120.64 118.75 3a13 n GLU 35 Ca 0.08 0.85 0.00 0.00 -0.06 0.00 0.00 57.16 58.03 3a13 n GLU 35 Cb 0.54 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.26 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 3.65 0.80 3.15 8.31 0.00 -1.26 -5.07 105.19 114.77 3a13 n GLY 36 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.08 1.60 0.63 1.61 2.02 -1.04 -5.14 117.35 114.96 3a13 s TYR 37 Ca 0.00 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.20 3a13 s TYR 37 Cb 0.00 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 3a13 s TYR 37 CO 0.00 -0.09 1.04 0.95 -1.57 0.00 0.00 175.55 175.88 3a13 s THR 38 N -0.19 4.31 0.29 -0.71 -4.23 -1.26 -4.72 115.64 109.12 3a13 s THR 38 Ca 0.02 0.83 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 3a13 s THR 38 Cb -0.09 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.43 3a13 s THR 38 CO 0.01 -0.90 1.88 -0.29 -0.54 0.00 0.00 174.62 174.78 3a13 h ILE 39 N -0.23 1.03 -0.93 2.99 6.09 -1.98 -1.72 117.51 122.74 3a13 h ILE 39 Ca -0.45 -0.36 0.05 0.00 -1.37 0.00 0.00 64.86 62.74 3a13 h ILE 39 Cb 1.20 -0.11 -0.06 0.00 0.47 0.00 0.00 36.82 38.32 3a13 h ILE 39 CO 0.59 0.19 0.60 -0.33 -3.07 0.00 0.00 178.15 176.13 3a13 h GLU 40 N 1.04 1.09 -0.42 2.19 3.07 -1.98 0.19 114.58 119.76 3a13 h GLU 40 Ca 0.43 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 59.09 3a13 h GLU 40 Cb 0.29 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3a13 h GLU 40 CO -0.18 0.72 -0.27 1.96 -1.40 0.00 0.00 179.01 179.84 3a13 h GLN 41 N 1.13 0.92 -0.07 2.33 4.20 -1.71 -0.28 115.11 121.63 3a13 h GLN 41 Ca 0.39 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3a13 h GLN 41 Cb 0.08 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3a13 h GLN 41 CO -0.15 1.09 -0.03 0.00 -0.67 0.00 0.00 178.83 179.07 3a13 h ALA 42 N 0.81 0.09 -0.75 3.87 0.00 -0.90 -1.45 119.26 120.94 3a13 h ALA 42 Ca 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3a13 h ALA 42 Cb 0.86 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3a13 h ALA 42 CO 0.08 -0.15 0.35 0.00 0.00 0.00 0.00 179.25 179.53 3a13 h ALA 43 N 0.62 0.97 -0.38 0.00 0.00 -0.68 -0.60 119.26 119.18 3a13 h ALA 43 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3a13 h ALA 43 Cb 0.48 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3a13 h ALA 43 CO 0.01 0.54 0.15 0.78 0.00 0.00 0.00 179.25 180.72 3a13 h GLY 44 N 1.05 0.50 1.41 0.00 0.00 -0.99 0.16 103.07 105.20 3a13 h GLY 44 Ca 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3a13 h GLY 44 CO -0.03 0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.76 3a13 h ALA 45 N 1.24 1.38 -0.21 3.60 0.00 -0.82 -0.84 119.26 123.61 3a13 h ALA 45 Ca 0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3a13 h ALA 45 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3a13 h ALA 45 CO -0.17 0.47 -0.34 0.28 0.00 0.00 0.00 179.25 179.49 3a13 h VAL 46 N 0.75 1.33 -0.82 0.00 2.07 -0.18 -1.25 116.25 118.15 3a13 h VAL 46 Ca 0.18 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 3a13 h VAL 46 Cb 0.15 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3a13 h VAL 46 CO -0.02 0.48 0.48 0.00 0.02 0.00 0.00 177.57 178.53 3a13 h ALA 47 N 0.62 1.30 0.04 1.67 0.00 -0.59 -2.42 119.26 119.88 3a13 h ALA 47 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3a13 h ALA 47 Cb 0.93 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3a13 h ALA 47 CO 0.08 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 3a13 h ALA 48 N 1.39 -0.05 0.00 0.00 0.00 -0.98 -2.74 119.26 116.87 3a13 h ALA 48 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a13 h ALA 48 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a13 h ALA 48 CO -0.05 -0.31 0.00 0.93 0.00 0.00 0.00 179.25 179.82 3a13 h GLU 49 N -0.50 0.00 -0.02 0.00 4.39 -1.22 0.04 114.58 117.27 3a13 h GLU 49 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3a13 h GLU 49 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3a13 h GLU 49 CO 0.01 0.00 -0.20 -1.13 -1.16 0.00 0.00 179.01 176.53 3a13 n SER 50 N -3.00 2.20 0.00 1.42 3.41 -0.91 -4.86 113.62 111.88 3a13 n SER 50 Ca 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 3a13 n SER 50 Cb 0.27 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.45 0.00 -1.43 4.04 3.41 -0.95 -4.60 113.62 114.55 3a13 n SER 51 Ca 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 3a13 n SER 51 Cb 0.49 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.77 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 1.37 -2.80 6.66 -2.24 -1.19 -5.02 114.28 111.06 3a13 n THR 52 Ca 0.00 -1.09 -0.22 0.00 -2.27 0.00 0.00 64.05 60.47 3a13 n THR 52 Cb 0.00 0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.65 3a13 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a13 s GLY 53 N -0.97 1.75 0.09 3.38 0.00 -0.04 -5.05 107.32 106.47 3a13 s GLY 53 Ca 0.49 -1.92 -0.13 0.00 0.00 0.00 0.00 44.72 43.16 3a13 s GLY 53 CO 0.29 -1.41 0.31 -1.08 0.00 0.00 0.00 173.10 171.21 3a13 s THR 54 N -2.91 0.09 -0.44 0.90 -1.32 -1.26 -4.82 115.64 105.88 3a13 s THR 54 Ca 0.64 -0.77 0.25 0.00 -1.21 0.00 0.00 61.69 60.60 3a13 s THR 54 Cb -0.06 -1.14 0.28 0.00 -1.51 0.00 0.00 72.50 70.07 3a13 s THR 54 CO 0.42 -0.43 1.76 4.11 -2.21 0.00 0.00 174.62 178.27 3a13 h TRP 55 N 2.75 0.00 -3.65 9.09 5.08 -2.00 -3.45 115.95 123.76 3a13 h TRP 55 Ca -0.33 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.37 3a13 h TRP 55 Cb 1.22 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.23 3a13 h TRP 55 CO 0.39 0.00 -0.70 -0.08 -1.28 0.00 0.00 178.44 176.77 3a13 s THR 56 N -3.33 0.88 0.43 0.12 -1.32 -1.26 -5.01 115.64 106.15 3a13 s THR 56 Ca 0.05 -1.98 -0.25 0.00 -1.21 0.00 0.00 61.69 58.30 3a13 s THR 56 Cb 0.10 -1.74 -0.08 0.00 -1.51 0.00 0.00 72.50 69.27 3a13 s THR 56 CO 0.45 -0.82 1.33 -0.89 -2.21 0.00 0.00 174.62 172.48 3a13 s THR 57 N -3.49 2.45 0.10 5.08 2.01 -1.26 -5.01 115.64 115.52 3a13 s THR 57 Ca 0.13 0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.62 3a13 s THR 57 Cb 0.04 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 3a13 s THR 57 CO -0.03 0.05 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.96 3a13 s LEU 58 N -2.65 2.28 0.20 4.42 2.01 -1.26 -5.12 118.68 118.56 3a13 s LEU 58 Ca 0.60 -0.68 -0.30 0.00 0.01 0.00 0.00 54.13 53.75 3a13 s LEU 58 Cb -0.39 -1.04 -0.09 0.00 0.01 0.00 0.00 46.19 44.67 3a13 s LEU 58 CO 0.50 0.13 1.43 -0.47 1.01 0.00 0.00 176.35 178.94 3a13 s TYR 59 N -1.05 3.11 -0.78 0.29 5.04 -1.26 -4.96 117.35 117.74 3a13 s TYR 59 Ca 0.10 0.99 -0.24 0.00 -2.44 0.00 0.00 57.07 55.47 3a13 s TYR 59 Cb -0.10 -3.77 0.06 0.00 0.35 0.00 0.00 41.96 38.49 3a13 s TYR 59 CO 0.04 -2.59 1.19 -1.25 -1.34 0.00 0.00 175.55 171.60 3a13 s PRO 60 N 0.15 3.27 0.00 4.97 0.04 -1.26 -4.78 135.00 137.39 3a13 s PRO 60 Ca 0.61 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.93 3a13 s PRO 60 Cb -0.40 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.68 3a13 s PRO 60 CO 0.38 -2.01 0.83 -2.67 0.04 0.00 0.00 177.00 173.57 3a13 n TRP 61 N 8.47 0.00 -4.19 0.56 4.27 -1.26 -5.04 117.44 120.24 3a13 n TRP 61 Ca 0.08 -0.34 -0.11 0.00 -3.89 0.00 0.00 57.50 53.23 3a13 n TRP 61 Cb 0.48 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.67 1.00 -0.25 -2.67 -0.85 -1.26 -5.09 117.35 107.56 3a13 s TYR 62 Ca 0.00 -1.01 -0.29 0.00 -0.52 0.00 0.00 57.07 55.25 3a13 s TYR 62 Cb 0.00 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.74 3a13 s TYR 62 CO 0.00 -0.24 1.73 -2.00 -1.52 0.00 0.00 175.55 173.52 3a13 s GLU 63 N -3.90 3.61 0.22 -3.49 2.12 -1.26 -4.89 118.70 111.11 3a13 s GLU 63 Ca 0.18 1.65 -0.08 0.00 0.36 0.00 0.00 54.97 57.08 3a13 s GLU 63 Cb 0.06 -4.12 0.32 0.00 0.26 0.00 0.00 34.13 30.65 3a13 s GLU 63 CO -0.01 -1.52 1.77 0.37 -0.54 0.00 0.00 175.26 175.33 3a13 h GLN 64 N 11.72 0.52 -0.86 4.30 5.75 -1.99 -2.67 115.11 131.88 3a13 h GLN 64 Ca -0.35 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 3a13 h GLN 64 Cb 1.17 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 3a13 h GLN 64 CO 1.01 0.34 0.54 1.49 -2.65 0.00 0.00 178.83 179.56 3a13 h GLU 65 N 0.53 1.15 -0.07 1.69 4.57 -1.99 -0.83 114.58 119.63 3a13 h GLU 65 Ca 0.34 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 3a13 h GLU 65 Cb 0.38 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3a13 h GLU 65 CO -0.28 0.79 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.23 3a13 h ARG 66 N 1.18 0.14 -0.26 1.92 2.43 -1.89 -2.31 114.38 115.59 3a13 h ARG 66 Ca 0.31 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 3a13 h ARG 66 Cb -0.08 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 3a13 h ARG 66 CO -0.06 0.46 -0.27 2.35 -1.51 0.00 0.00 179.97 180.94 3a13 h TRP 67 N -0.19 -0.74 0.00 2.20 7.01 -1.22 -1.92 115.95 121.09 3a13 h TRP 67 Ca 0.02 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 3a13 h TRP 67 Cb 0.41 0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.83 3a13 h TRP 67 CO 0.05 -0.35 -0.16 0.00 -2.79 0.00 0.00 178.44 175.20 3a13 h ALA 68 N 0.73 1.67 0.00 2.65 0.00 -1.14 -2.24 119.26 120.92 3a13 h ALA 68 Ca 0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3a13 h ALA 68 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3a13 h ALA 68 CO -0.42 0.19 -0.28 0.22 0.00 0.00 0.00 179.25 178.97 3a13 h ASP 69 N 0.00 0.00 -0.65 0.00 3.58 -0.77 -3.17 116.42 115.40 3a13 h ASP 69 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3a13 h ASP 69 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3a13 h ASP 69 CO 0.02 0.28 0.00 0.18 -2.88 0.00 0.00 179.24 176.84 3a13 n LEU 70 N -3.28 3.82 -4.77 2.28 4.77 -0.86 -4.86 117.00 114.11 3a13 n LEU 70 Ca 0.01 -1.90 -0.40 0.00 -0.03 0.00 0.00 56.01 53.70 3a13 n LEU 70 Cb 0.55 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3a13 n LEU 70 CO 0.36 0.93 0.47 -0.44 -1.33 0.00 0.00 177.39 177.38 3a13 s SER 71 N -1.09 7.32 0.56 -1.43 0.01 -1.15 -4.65 113.70 113.27 3a13 s SER 71 Ca 0.46 1.57 -0.15 0.00 1.31 0.00 0.00 55.95 59.13 3a13 s SER 71 Cb 0.24 -2.48 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 3a13 s SER 71 CO 0.32 0.14 1.01 0.00 0.41 0.00 0.00 173.24 175.13 3a13 s ALA 72 N -0.76 2.98 -0.09 1.44 0.00 -1.26 -4.76 121.76 119.32 3a13 s ALA 72 Ca 0.37 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3a13 s ALA 72 Cb -0.22 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3a13 s ALA 72 CO 0.25 -0.48 -0.09 0.15 0.00 0.00 0.00 175.76 175.59 3a13 s LYS 73 N -4.28 1.54 -0.32 0.00 -0.14 -0.32 -4.74 119.74 111.48 3a13 s LYS 73 Ca 0.59 -0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.61 3a13 s LYS 73 Cb -0.12 -1.45 0.02 0.00 -1.68 0.00 0.00 37.83 34.60 3a13 s LYS 73 CO 0.37 -0.13 1.07 0.00 -0.76 0.00 0.00 175.35 175.89 3a13 s ALA 74 N 1.22 3.50 0.00 5.17 0.00 -0.23 -0.15 121.76 131.27 3a13 s ALA 74 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3a13 s ALA 74 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3a13 s ALA 74 CO -0.03 -1.48 0.00 2.48 0.00 0.00 0.00 175.76 176.74 3a13 n TYR 75 N 6.85 0.00 -3.95 0.00 0.18 -0.50 -0.75 117.16 118.98 3a13 n TYR 75 Ca 0.12 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.73 3a13 n TYR 75 Cb 0.47 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.27 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 -1.17 0.39 -0.08 9.48 2.15 -1.22 -4.40 116.67 121.82 3a13 s ASP 76 Ca 0.00 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.95 3a13 s ASP 76 Cb 0.00 -0.18 0.02 0.00 -0.30 0.00 0.00 42.92 42.46 3a13 s ASP 76 CO 0.00 -0.07 -0.08 -0.36 -0.17 0.00 0.00 175.17 174.49 3a13 s PHE 77 N 0.77 1.25 -0.14 -5.34 0.08 -1.26 -1.67 117.98 111.66 3a13 s PHE 77 Ca -0.08 -0.51 -0.00 0.00 0.12 0.00 0.00 56.93 56.46 3a13 s PHE 77 Cb -0.11 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 3a13 s PHE 77 CO -0.01 -0.36 -0.08 -1.58 -0.10 0.00 0.00 175.22 173.09 3a13 s HIS 78 N 1.26 1.74 -0.03 0.36 5.65 -0.17 -4.98 115.29 119.11 3a13 s HIS 78 Ca -0.04 -1.01 -0.30 0.00 0.25 0.00 0.00 55.06 53.96 3a13 s HIS 78 Cb -0.14 -1.35 -0.04 0.00 -1.18 0.00 0.00 32.58 29.87 3a13 s HIS 78 CO -0.03 -0.59 1.24 0.34 -0.65 0.00 0.00 174.74 175.05 3a13 s ASP 79 N 1.62 7.02 0.04 9.88 -1.08 -1.26 -0.55 116.67 132.34 3a13 s ASP 79 Ca 0.03 1.89 0.25 0.00 -0.52 0.00 0.00 52.55 54.20 3a13 s ASP 79 Cb -0.14 -2.56 0.51 0.00 -1.46 0.00 0.00 42.92 39.27 3a13 s ASP 79 CO -0.08 -0.60 1.42 0.23 0.52 0.00 0.00 175.17 176.66 3a13 n MET 80 N 5.10 0.10 -0.84 4.34 2.81 -0.41 -4.94 117.12 123.28 3a13 n MET 80 Ca 0.11 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3a13 n MET 80 Cb 0.46 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 1.45 0.56 0.04 3.03 0.00 -1.26 -4.88 105.19 104.14 3a13 n GLY 81 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 0.27 1.60 0.00 1.61 5.68 -1.26 -4.95 116.55 119.50 3a13 n ASP 82 Ca 0.00 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 3a13 n ASP 82 Cb 0.00 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 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 -0.56 0.19 3.45 6.12 0.00 -1.26 -5.08 105.19 108.05 3a13 n GLY 83 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.22 3.56 0.03 1.61 1.04 -1.26 -4.27 113.70 112.20 3a13 s SER 84 Ca 0.00 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.57 3a13 s SER 84 Cb 0.00 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3a13 s SER 84 CO 0.00 0.09 -0.14 0.26 0.98 0.00 0.00 173.24 174.43 3a13 s TRP 85 N -2.00 1.22 -0.18 5.02 0.52 0.48 -1.28 118.94 122.72 3a13 s TRP 85 Ca 0.25 -0.34 -0.25 0.00 0.02 0.00 0.00 56.10 55.77 3a13 s TRP 85 Cb -0.07 -0.73 -0.01 0.00 -1.15 0.00 0.00 33.47 31.51 3a13 s TRP 85 CO 0.12 0.03 0.83 0.42 0.02 0.00 0.00 176.95 178.37 3a13 s ILE 86 N -0.81 4.87 -0.13 2.03 -1.09 0.29 -0.01 121.20 126.35 3a13 s ILE 86 Ca 0.02 1.62 0.02 0.00 -2.23 0.00 0.00 60.65 60.07 3a13 s ILE 86 Cb -0.08 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.69 3a13 s ILE 86 CO 0.01 0.01 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.87 3a13 s VAL 87 N 2.28 1.72 -0.10 2.92 1.01 0.75 -1.00 120.40 127.97 3a13 s VAL 87 Ca 0.38 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 3a13 s VAL 87 Cb -0.16 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3a13 s VAL 87 CO 0.11 0.48 0.37 -0.13 0.00 0.00 0.00 175.10 175.94 3a13 s ARG 88 N 1.09 4.14 -0.07 2.72 0.52 -0.67 -1.03 118.95 125.65 3a13 s ARG 88 Ca -0.03 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.48 3a13 s ARG 88 Cb -0.14 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3a13 s ARG 88 CO -0.05 0.37 -0.14 0.42 0.02 0.00 0.00 175.30 175.92 3a13 s ILE 89 N -0.00 1.28 -0.11 1.52 1.01 -0.18 -1.42 121.20 123.30 3a13 s ILE 89 Ca 0.21 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3a13 s ILE 89 Cb -0.15 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3a13 s ILE 89 CO 0.08 0.39 -0.03 0.00 0.00 0.00 0.00 174.94 175.38 3a13 s ALA 90 N 0.59 3.09 -0.05 9.38 0.00 0.79 -1.55 121.76 134.01 3a13 s ALA 90 Ca -0.15 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.02 3a13 s ALA 90 Cb -0.16 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 3a13 s ALA 90 CO 0.04 0.43 -0.19 0.71 0.00 0.00 0.00 175.76 176.75 3a13 s TYR 91 N -0.34 1.89 0.20 0.00 2.02 0.49 -1.17 117.35 120.44 3a13 s TYR 91 Ca 0.06 -0.60 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 3a13 s TYR 91 Cb -0.12 -1.28 -0.09 0.00 -0.40 0.00 0.00 41.96 40.07 3a13 s TYR 91 CO 0.02 -0.22 1.33 -1.25 -1.57 0.00 0.00 175.55 173.87 3a13 s PRO 92 N 0.12 4.37 0.56 -1.71 0.04 -1.26 -0.17 135.00 136.94 3a13 s PRO 92 Ca -0.07 2.09 0.24 0.00 0.04 0.00 0.00 61.00 63.30 3a13 s PRO 92 Cb -0.13 -3.19 1.54 0.00 0.04 0.00 0.00 34.50 32.76 3a13 s PRO 92 CO 0.03 -0.29 2.14 0.27 0.04 0.00 0.00 177.00 179.19 3a13 h PHE 93 N 5.48 0.00 -0.07 0.56 -5.15 -1.27 -0.87 116.94 115.63 3a13 h PHE 93 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3a13 h PHE 93 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 3a13 h PHE 93 CO 0.62 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 174.54 3a13 n HIS 94 N -4.13 0.09 0.24 6.09 1.44 -1.26 -2.44 115.22 115.26 3a13 n HIS 94 Ca 0.00 -0.05 0.14 0.00 -2.01 0.00 0.00 57.72 55.80 3a13 n HIS 94 Cb 0.23 0.00 0.47 0.00 0.12 0.00 0.00 29.99 30.81 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 3.62 0.99 -3.47 1.59 0.00 -1.49 -3.46 119.26 117.03 3a13 h ALA 95 Ca 0.00 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 3a13 h ALA 95 Cb 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 3a13 h ALA 95 CO 0.00 0.09 -0.70 -0.06 0.00 0.00 0.00 179.25 178.57 3a13 s PHE 96 N -3.50 2.85 0.50 0.00 0.08 -1.02 -5.09 117.98 111.80 3a13 s PHE 96 Ca 0.03 -0.10 -0.23 0.00 0.12 0.00 0.00 56.93 56.75 3a13 s PHE 96 Cb 0.08 -1.48 -0.06 0.00 -0.57 0.00 0.00 43.02 40.99 3a13 s PHE 96 CO 0.61 0.45 1.38 -2.00 -0.10 0.00 0.00 175.22 175.56 3a13 s GLU 97 N -2.24 3.38 0.25 0.44 2.12 -1.26 -4.94 118.70 116.45 3a13 s GLU 97 Ca 0.23 2.30 -0.30 0.00 0.36 0.00 0.00 54.97 57.57 3a13 s GLU 97 Cb -0.11 -2.43 -0.10 0.00 0.26 0.00 0.00 34.13 31.75 3a13 s GLU 97 CO 0.16 -1.02 1.39 -1.21 -0.54 0.00 0.00 175.26 174.03 3a13 s GLU 98 N -2.71 4.31 -1.39 4.30 2.02 -1.26 -3.62 118.70 120.35 3a13 s GLU 98 Ca 0.67 2.23 -0.03 0.00 0.02 0.00 0.00 54.97 57.86 3a13 s GLU 98 Cb -0.42 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 30.71 3a13 s GLU 98 CO 0.51 -0.34 0.65 0.00 0.02 0.00 0.00 175.26 176.09 3a13 n ALA 99 N 2.18 -1.88 -3.57 5.21 0.00 -1.26 -4.95 120.51 116.24 3a13 n ALA 99 Ca 0.06 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 3a13 n ALA 99 Cb 0.41 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 3a13 n ALA 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a13 s ASN 100 N -4.17 2.83 0.15 0.00 3.84 -1.24 -4.99 114.94 111.35 3a13 s ASN 100 Ca 0.13 -2.98 -0.17 0.00 0.21 0.00 0.00 52.86 50.05 3a13 s ASN 100 Cb -0.07 -0.80 -0.00 0.00 -0.55 0.00 0.00 41.25 39.84 3a13 s ASN 100 CO 0.85 -0.20 1.80 0.25 -2.79 0.00 0.00 177.10 177.01 3a13 h LEU 101 N 6.06 0.39 -0.79 3.21 5.85 -1.92 -1.62 115.31 126.50 3a13 h LEU 101 Ca 0.15 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3a13 h LEU 101 Cb 0.89 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3a13 h LEU 101 CO 0.45 0.29 0.46 -0.65 -0.34 0.00 0.00 178.44 178.64 3a13 h PRO 102 N 0.47 0.79 -0.46 5.25 0.11 -1.94 0.21 132.00 136.43 3a13 h PRO 102 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3a13 h PRO 102 Cb -0.04 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3a13 h PRO 102 CO -0.04 0.52 0.29 0.78 -0.21 0.00 0.00 178.00 179.35 3a13 h GLY 103 N 0.82 0.66 1.11 -0.55 0.00 -1.91 -1.15 103.07 102.05 3a13 h GLY 103 Ca 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3a13 h GLY 103 CO -0.20 0.26 0.27 -2.00 0.00 0.00 0.00 176.54 174.86 3a13 h LEU 104 N 0.61 1.04 -1.26 3.11 6.46 -0.29 -2.73 115.31 122.25 3a13 h LEU 104 Ca 0.17 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 3a13 h LEU 104 Cb -0.03 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 3a13 h LEU 104 CO -0.03 0.94 -0.20 -0.07 -0.62 0.00 0.00 178.44 178.46 3a13 h LEU 105 N 1.09 0.25 -1.74 2.25 3.38 -0.31 -0.96 115.31 119.26 3a13 h LEU 105 Ca 0.24 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3a13 h LEU 105 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3a13 h LEU 105 CO -0.02 0.46 -0.17 0.00 0.09 0.00 0.00 178.44 178.81 3a13 h ALA 106 N 1.56 1.50 0.00 1.53 0.00 -0.90 0.81 119.26 123.77 3a13 h ALA 106 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3a13 h ALA 106 Cb 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a13 h ALA 106 CO 0.03 0.21 -0.11 0.77 0.00 0.00 0.00 179.25 180.15 3a13 h SER 107 N 0.00 0.00 -0.11 0.00 0.02 -1.10 -3.21 113.55 109.14 3a13 h SER 107 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3a13 h SER 107 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3a13 h SER 107 CO 0.02 0.83 0.00 2.30 -1.14 0.00 0.00 176.83 178.84 3a13 n ILE 108 N -4.66 0.12 -2.78 3.27 -6.64 -0.55 -4.23 119.36 103.88 3a13 n ILE 108 Ca -0.08 -0.53 -0.01 0.00 -1.77 0.00 0.00 62.75 60.37 3a13 n ILE 108 Cb 0.30 1.26 0.07 0.00 -1.44 0.00 0.00 39.64 39.83 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 1.24 2.68 -2.59 -1.28 0.00 0.27 -5.00 120.51 115.84 3a13 n ALA 109 Ca 0.16 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.37 3a13 n ALA 109 Cb 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.88 1.24 0.33 0.00 0.00 -1.17 -4.75 105.19 99.95 3a13 n GLY 110 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.11 1.61 2.35 -1.89 -3.04 115.58 114.50 3a13 h ASN 111 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3a13 h ASN 111 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3a13 h ASN 111 CO 0.00 0.00 0.13 0.16 -1.65 0.00 0.00 177.43 176.07 3a13 h ILE 112 N 0.00 0.50 0.00 2.81 3.07 -1.89 -0.69 117.51 121.31 3a13 h ILE 112 Ca 0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.44 3a13 h ILE 112 Cb 0.26 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 37.71 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 -0.33 0.16 0.04 -1.89 -3.16 116.94 111.76 3a13 h PHE 113 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3a13 h PHE 113 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 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 0.19 1.93 3.74 -1.45 0.00 -0.27 -4.86 105.19 104.48 3a13 n GLY 114 Ca 0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.06 4.42 0.53 1.61 -1.94 -1.20 -4.91 119.30 116.75 3a13 s MET 115 Ca 0.27 2.02 0.31 0.00 -1.71 0.00 0.00 55.69 56.57 3a13 s MET 115 Cb 0.15 -3.20 1.42 0.00 2.01 0.00 0.00 34.83 35.21 3a13 s MET 115 CO 0.20 -0.20 2.02 0.87 -0.01 0.00 0.00 175.02 177.90 3a13 h LYS 116 N 5.18 0.00 0.00 2.03 1.57 -1.94 -2.65 116.57 120.76 3a13 h LYS 116 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3a13 h LYS 116 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3a13 h LYS 116 CO 0.76 0.09 0.00 -2.13 -0.57 0.00 0.00 179.45 177.60 3a13 n ARG 117 N -3.33 0.16 -5.03 3.15 0.63 -1.26 -4.56 116.66 106.41 3a13 n ARG 117 Ca -0.01 0.32 -0.32 0.00 -0.92 0.00 0.00 57.85 56.92 3a13 n ARG 117 Cb 0.29 -1.76 -0.16 0.00 0.45 0.00 0.00 32.46 31.28 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 -3.19 2.51 0.22 5.15 -7.23 -1.00 -1.59 120.40 115.26 3a13 s VAL 118 Ca 0.07 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 3a13 s VAL 118 Cb 0.11 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 3a13 s VAL 118 CO 0.42 0.55 1.49 0.50 -0.31 0.00 0.00 175.10 177.75 3a13 h LYS 119 N 6.55 0.07 -2.28 4.82 3.64 0.14 -3.43 116.57 126.07 3a13 h LYS 119 Ca -0.25 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 3a13 h LYS 119 Cb 1.22 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.86 3a13 h LYS 119 CO 0.51 0.78 0.07 0.20 -2.27 0.00 0.00 179.45 178.73 3a13 s GLY 120 N -4.51 -0.47 -0.14 5.01 0.00 -1.08 -5.00 107.32 101.14 3a13 s GLY 120 Ca -0.01 1.05 -0.05 0.00 0.00 0.00 0.00 44.72 45.70 3a13 s GLY 120 CO 0.79 0.73 0.30 -2.27 0.00 0.00 0.00 173.10 172.65 3a13 s LEU 121 N -1.24 -0.32 -0.20 0.66 2.96 -0.96 -1.40 118.68 118.18 3a13 s LEU 121 Ca -0.12 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3a13 s LEU 121 Cb -0.01 0.85 0.03 0.00 0.50 0.00 0.00 46.19 47.56 3a13 s LEU 121 CO 0.08 -0.23 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.14 3a13 s ARG 122 N 2.36 2.43 -0.39 1.98 3.00 -0.24 -0.78 118.95 127.30 3a13 s ARG 122 Ca -0.00 -0.88 -0.29 0.00 -1.00 0.00 0.00 55.73 53.56 3a13 s ARG 122 Cb -0.12 -2.50 0.02 0.00 0.00 0.00 0.00 34.95 32.35 3a13 s ARG 122 CO -0.09 -0.35 1.23 -1.17 0.00 0.00 0.00 175.30 174.92 3a13 s LEU 123 N 1.32 3.73 -0.20 -0.88 2.96 0.05 0.21 118.68 125.87 3a13 s LEU 123 Ca 0.00 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3a13 s LEU 123 Cb -0.15 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 3a13 s LEU 123 CO -0.10 -1.19 0.01 -0.62 -1.32 0.00 0.00 176.35 173.13 3a13 n GLU 124 N 7.61 0.69 -3.68 1.98 -0.58 0.14 -1.06 120.64 125.74 3a13 n GLU 124 Ca 0.14 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.95 3a13 n GLU 124 Cb 0.48 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 3a13 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a13 s ASP 125 N -6.61 -0.19 -0.18 1.62 -1.08 -1.13 -4.38 116.67 104.71 3a13 s ASP 125 Ca -0.28 -0.27 -0.02 0.00 -0.52 0.00 0.00 52.55 51.46 3a13 s ASP 125 Cb 0.08 0.43 0.05 0.00 -1.46 0.00 0.00 42.92 42.02 3a13 s ASP 125 CO 0.68 -0.76 0.01 -0.76 0.52 0.00 0.00 175.17 174.86 3a13 s LEU 126 N -2.52 1.32 -0.14 -1.34 1.43 -1.26 -1.54 118.68 114.63 3a13 s LEU 126 Ca 0.00 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 3a13 s LEU 126 Cb 0.01 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 3a13 s LEU 126 CO -0.08 -0.27 0.61 -0.47 0.23 0.00 0.00 176.35 176.36 3a13 s TYR 127 N 1.79 3.46 -0.17 0.29 5.04 0.87 -4.95 117.35 123.68 3a13 s TYR 127 Ca -0.01 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 3a13 s TYR 127 Cb -0.17 -2.74 -0.02 0.00 0.35 0.00 0.00 41.96 39.38 3a13 s TYR 127 CO -0.07 -0.02 -0.05 -0.06 -1.34 0.00 0.00 175.55 174.01 3a13 s PHE 128 N 1.29 2.98 0.91 4.97 0.40 -1.26 -2.05 117.98 125.22 3a13 s PHE 128 Ca 0.30 -0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 3a13 s PHE 128 Cb -0.16 -1.99 0.14 0.00 0.51 0.00 0.00 43.02 41.52 3a13 s PHE 128 CO 0.12 -0.19 1.09 -1.25 0.70 0.00 0.00 175.22 175.69 3a13 s PRO 129 N 0.68 1.12 0.37 0.24 0.04 -1.26 -4.73 135.00 131.47 3a13 s PRO 129 Ca -0.03 0.88 0.12 0.00 0.04 0.00 0.00 61.00 62.01 3a13 s PRO 129 Cb -0.15 -1.79 0.91 0.00 0.04 0.00 0.00 34.50 33.51 3a13 s PRO 129 CO 0.02 -2.35 1.84 1.49 0.04 0.00 0.00 177.00 178.04 3a13 h GLU 130 N -1.63 0.58 -0.73 4.56 4.81 -1.81 -1.14 114.58 119.21 3a13 h GLU 130 Ca -0.50 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3a13 h GLU 130 Cb 1.28 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3a13 h GLU 130 CO 0.53 0.38 0.43 -0.22 -0.73 0.00 0.00 179.01 179.41 3a13 h LYS 131 N 0.59 0.99 0.00 1.92 3.64 -1.91 -1.64 116.57 120.17 3a13 h LYS 131 Ca 0.50 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.62 3a13 h LYS 131 Cb 0.97 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3a13 h LYS 131 CO -0.24 0.70 -0.67 -0.07 -2.27 0.00 0.00 179.45 176.90 3a13 h LEU 132 N 1.01 0.58 -0.86 5.20 4.07 -1.57 -3.05 115.31 120.69 3a13 h LEU 132 Ca 0.26 -0.76 0.20 0.00 0.08 0.00 0.00 57.88 57.66 3a13 h LEU 132 Cb -0.03 -0.18 -0.12 0.00 1.08 0.00 0.00 40.66 41.41 3a13 h LEU 132 CO -0.05 1.27 0.37 0.40 -1.08 0.00 0.00 178.44 179.35 3a13 h ILE 133 N -0.05 0.53 0.00 1.22 1.08 -1.23 0.36 117.51 119.42 3a13 h ILE 133 Ca -0.08 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3a13 h ILE 133 Cb 1.38 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 3a13 h ILE 133 CO 0.13 0.08 0.00 0.54 -0.69 0.00 0.00 178.15 178.21 3a13 n ARG 134 N -5.03 0.12 0.00 2.37 1.74 -0.63 -1.46 116.66 113.76 3a13 n ARG 134 Ca 0.20 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.49 3a13 n ARG 134 Cb 0.58 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.43 0.38 -4.22 5.56 1.02 0.13 -4.80 120.64 117.28 3a13 n GLU 135 Ca 0.07 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 3a13 n GLU 135 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.50 2.85 -0.17 -0.32 0.08 -0.54 -4.91 117.98 112.47 3a13 s PHE 136 Ca 0.24 -0.17 0.16 0.00 0.12 0.00 0.00 56.93 57.28 3a13 s PHE 136 Cb 0.16 -1.29 -0.24 0.00 -0.57 0.00 0.00 43.02 41.08 3a13 s PHE 136 CO 0.35 0.57 0.18 -0.25 -0.10 0.00 0.00 175.22 175.97 3a13 n ASP 137 N -0.85 0.29 -0.13 1.36 8.00 -1.25 -4.98 116.55 118.99 3a13 n ASP 137 Ca -0.07 0.08 0.01 0.00 0.71 0.00 0.00 54.79 55.52 3a13 n ASP 137 Cb 0.58 0.70 -0.00 0.00 -0.02 0.00 0.00 41.12 42.38 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 1.74 -2.17 3.76 0.44 0.00 -0.40 -4.71 105.19 103.86 3a13 n GLY 138 Ca -0.30 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.81 4.18 0.26 1.61 0.02 -1.24 -4.20 135.00 134.82 3a13 s PRO 139 Ca 0.00 2.47 0.12 0.00 0.02 0.00 0.00 61.00 63.60 3a13 s PRO 139 Cb 0.00 -3.03 0.27 0.00 0.02 0.00 0.00 34.50 31.76 3a13 s PRO 139 CO 0.00 -0.49 1.55 0.00 -0.33 0.00 0.00 177.00 177.73 3a13 h ALA 140 N 4.01 0.81 0.00 -1.55 0.00 -1.89 -3.39 119.26 117.25 3a13 h ALA 140 Ca -0.48 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 53.62 3a13 h ALA 140 Cb 1.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3a13 h ALA 140 CO 0.72 0.81 -1.73 1.19 0.00 0.00 0.00 179.25 180.23 3a13 n PHE 141 N -3.60 0.00 -3.33 0.00 3.72 -1.26 -4.94 117.46 108.05 3a13 n PHE 141 Ca -0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3a13 n PHE 141 Cb 0.68 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 2.20 -0.92 0.17 1.37 0.00 -1.26 0.50 105.19 107.25 3a13 n GLY 142 Ca -0.26 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.26 0.73 -0.24 -0.61 2.04 -1.40 -0.82 117.51 116.95 3a13 h ILE 143 Ca 0.01 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3a13 h ILE 143 Cb 0.25 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 3a13 h ILE 143 CO 0.00 0.03 -0.23 -0.33 0.00 0.00 0.00 178.15 177.62 3a13 h GLU 144 N 0.15 -0.22 -0.32 2.37 5.08 -1.84 -1.01 114.58 118.79 3a13 h GLU 144 Ca 0.20 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3a13 h GLU 144 Cb 0.27 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3a13 h GLU 144 CO -0.30 -0.15 0.14 0.78 -1.00 0.00 0.00 179.01 178.48 3a13 h GLY 145 N -0.23 0.50 1.23 -3.84 0.00 0.69 -1.94 103.07 99.49 3a13 h GLY 145 Ca 0.14 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3a13 h GLY 145 CO -0.38 0.25 -0.31 -2.08 0.00 0.00 0.00 176.54 174.02 3a13 h VAL 146 N 0.38 1.28 -0.49 4.60 2.07 -1.01 0.74 116.25 123.82 3a13 h VAL 146 Ca 0.11 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 3a13 h VAL 146 Cb 0.15 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3a13 h VAL 146 CO -0.01 0.49 0.11 0.03 0.02 0.00 0.00 177.57 178.21 3a13 h ARG 147 N 0.72 0.75 0.31 1.57 3.08 -1.15 -1.09 114.38 118.57 3a13 h ARG 147 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3a13 h ARG 147 Cb 0.87 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3a13 h ARG 147 CO 0.08 0.69 -0.15 -0.22 -1.07 0.00 0.00 179.97 179.30 3a13 h LYS 148 N 0.73 -0.40 -1.00 0.04 3.64 -1.02 0.36 116.57 118.92 3a13 h LYS 148 Ca 0.16 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.76 3a13 h LYS 148 Cb 0.28 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 3a13 h LYS 148 CO -0.00 -0.10 0.61 1.98 -2.27 0.00 0.00 179.45 179.67 3a13 h MET 149 N -0.70 0.70 -0.01 1.90 4.05 -0.70 -1.70 114.93 118.48 3a13 h MET 149 Ca -0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3a13 h MET 149 Cb 0.48 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3a13 h MET 149 CO 0.07 0.47 -0.61 1.28 0.23 0.00 0.00 176.91 178.34 3a13 n LEU 150 N -4.74 1.55 -3.98 3.39 4.77 -0.43 -4.92 117.00 112.64 3a13 n LEU 150 Ca 0.23 -0.59 -0.27 0.00 -0.03 0.00 0.00 56.01 55.35 3a13 n LEU 150 Cb 0.59 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3a13 n LEU 150 CO 0.22 0.31 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.80 3a13 n GLU 151 N -0.60 -3.52 -3.94 3.23 1.02 0.12 -4.33 120.64 112.62 3a13 n GLU 151 Ca 0.08 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.31 3a13 n GLU 151 Cb 0.41 -4.72 -0.14 0.00 -0.02 0.00 0.00 31.44 26.97 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 -3.79 2.63 -0.00 -3.67 1.01 -0.78 -4.97 121.20 111.61 3a13 s ILE 152 Ca 0.16 -2.14 -0.23 0.00 0.00 0.00 0.00 60.65 58.44 3a13 s ILE 152 Cb -0.09 -2.83 -0.19 0.00 0.01 0.00 0.00 42.46 39.36 3a13 s ILE 152 CO 0.89 -0.55 1.24 0.11 0.00 0.00 0.00 174.94 176.63 3a13 h LYS 153 N 7.78 0.18 0.00 2.79 6.56 -1.93 -3.44 116.57 128.52 3a13 h LYS 153 Ca -0.09 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 3a13 h LYS 153 Cb 1.03 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 3a13 h LYS 153 CO 0.57 0.69 -0.86 -0.25 -2.06 0.00 0.00 179.45 177.54 3a13 n ASP 154 N -4.66 1.91 -4.77 0.86 8.00 -1.26 -5.07 116.55 111.57 3a13 n ASP 154 Ca -0.08 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.10 3a13 n ASP 154 Cb 0.35 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.92 2.44 0.56 -1.24 1.70 -1.26 -4.66 118.95 114.56 3a13 s ARG 155 Ca 0.00 1.28 -0.20 0.00 -0.47 0.00 0.00 55.73 56.33 3a13 s ARG 155 Cb 0.00 -1.91 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 3a13 s ARG 155 CO 0.00 -1.52 1.25 -1.25 -1.08 0.00 0.00 175.30 172.71 3a13 s PRO 156 N -4.56 3.13 0.53 3.89 0.04 -1.14 -4.90 135.00 131.99 3a13 s PRO 156 Ca 0.64 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 3a13 s PRO 156 Cb -0.19 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 3a13 s PRO 156 CO 0.50 -1.12 1.05 0.42 0.04 0.00 0.00 177.00 177.90 3a13 s ILE 157 N -1.48 3.74 -0.01 0.56 -1.09 -0.93 -4.88 121.20 117.11 3a13 s ILE 157 Ca 0.74 0.98 0.01 0.00 -2.23 0.00 0.00 60.65 60.15 3a13 s ILE 157 Cb -0.34 -3.41 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 3a13 s ILE 157 CO 0.38 -0.33 -0.03 -0.47 -1.23 0.00 0.00 174.94 173.26 3a13 s TYR 158 N -2.13 0.36 0.25 3.97 5.04 -1.26 -0.48 117.35 123.11 3a13 s TYR 158 Ca 0.66 -0.06 -0.18 0.00 -2.44 0.00 0.00 57.07 55.06 3a13 s TYR 158 Cb -0.17 -0.29 0.01 0.00 0.35 0.00 0.00 41.96 41.86 3a13 s TYR 158 CO 0.27 -0.05 0.60 0.20 -1.34 0.00 0.00 175.55 175.24 3a13 s GLY 159 N 0.22 0.11 -0.03 8.97 0.00 -0.80 0.33 107.32 116.12 3a13 s GLY 159 Ca -0.02 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.24 3a13 s GLY 159 CO -0.00 -0.29 -0.05 0.14 0.00 0.00 0.00 173.10 172.89 3a13 s VAL 160 N -3.94 0.56 -0.21 1.40 1.01 -0.56 -1.86 120.40 116.80 3a13 s VAL 160 Ca 0.14 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3a13 s VAL 160 Cb -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3a13 s VAL 160 CO 0.06 0.21 0.27 -0.69 0.00 0.00 0.00 175.10 174.95 3a13 s VAL 161 N 0.58 5.29 0.28 2.92 1.01 -1.26 -4.41 120.40 124.81 3a13 s VAL 161 Ca -0.08 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3a13 s VAL 161 Cb -0.11 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 3a13 s VAL 161 CO 0.00 0.32 1.56 -2.84 0.00 0.00 0.00 175.10 174.15 3a13 s PRO 162 N 1.00 4.15 -0.05 2.72 0.02 -1.26 -4.42 135.00 137.16 3a13 s PRO 162 Ca 0.14 2.52 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3a13 s PRO 162 Cb -0.14 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.35 3a13 s PRO 162 CO 0.05 -0.59 -0.14 0.15 -0.33 0.00 0.00 177.00 176.14 3a13 s LYS 163 N -0.46 1.69 0.58 5.54 -0.14 -1.26 -3.76 119.74 121.93 3a13 s LYS 163 Ca 0.62 -0.49 -0.21 0.00 -1.36 0.00 0.00 55.97 54.54 3a13 s LYS 163 Cb -0.47 -1.43 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 3a13 s LYS 163 CO 0.47 0.12 1.33 -1.25 -0.76 0.00 0.00 175.35 175.26 3a13 s PRO 164 N 0.37 2.96 0.25 -1.68 0.04 -1.26 -5.02 135.00 130.67 3a13 s PRO 164 Ca -0.10 2.17 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 3a13 s PRO 164 Cb -0.13 -2.12 0.40 0.00 0.04 0.00 0.00 34.50 32.68 3a13 s PRO 164 CO 0.03 -1.31 1.59 0.87 0.04 0.00 0.00 177.00 178.22 3a13 h LYS 165 N 1.17 0.01 -4.29 4.56 1.57 -1.97 -3.44 116.57 114.18 3a13 h LYS 165 Ca -0.51 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.03 3a13 h LYS 165 Cb 1.31 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.50 3a13 h LYS 165 CO 0.56 0.01 -0.37 0.14 -0.57 0.00 0.00 179.45 179.21 3a13 s VAL 166 N -6.22 0.00 0.00 0.50 -7.23 -1.26 -4.60 120.40 101.59 3a13 s VAL 166 Ca -0.14 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3a13 s VAL 166 Cb 0.24 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3a13 s VAL 166 CO 0.76 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.16 3a13 n GLY 167 N -0.42 0.83 3.58 2.32 0.00 -1.26 -5.10 105.19 105.14 3a13 n GLY 167 Ca 0.02 0.00 -0.26 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 2.65 0.35 1.61 -0.85 -1.26 -5.10 117.35 112.74 3a13 s TYR 168 Ca 0.00 -0.22 0.02 0.00 -0.52 0.00 0.00 57.07 56.35 3a13 s TYR 168 Cb 0.00 -1.27 -0.02 0.00 0.38 0.00 0.00 41.96 41.04 3a13 s TYR 168 CO 0.00 0.53 0.53 -1.54 -1.52 0.00 0.00 175.55 173.55 3a13 s SER 169 N -2.96 6.16 0.38 -0.18 1.04 -1.26 -4.61 113.70 112.26 3a13 s SER 169 Ca 0.26 0.26 0.07 0.00 0.48 0.00 0.00 55.95 57.02 3a13 s SER 169 Cb -0.08 -1.79 0.76 0.00 0.10 0.00 0.00 66.02 65.00 3a13 s SER 169 CO 0.16 -0.36 1.96 -0.65 0.98 0.00 0.00 173.24 175.34 3a13 h PRO 170 N 0.77 0.47 -0.24 4.02 0.11 -1.96 -0.77 132.00 134.40 3a13 h PRO 170 Ca -0.49 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 3a13 h PRO 170 Cb 1.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3a13 h PRO 170 CO 0.59 0.43 -0.12 0.93 -0.21 0.00 0.00 178.00 179.62 3a13 h GLU 171 N 0.46 0.50 -0.23 1.05 3.07 -1.94 -0.63 114.58 116.86 3a13 h GLU 171 Ca 0.11 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3a13 h GLU 171 Cb 0.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3a13 h GLU 171 CO -0.01 0.77 0.13 0.93 -1.40 0.00 0.00 179.01 179.44 3a13 h GLU 172 N 0.22 0.31 -0.01 2.33 5.08 -1.91 -2.73 114.58 117.87 3a13 h GLU 172 Ca 0.05 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 3a13 h GLU 172 Cb 0.62 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3a13 h GLU 172 CO 0.04 0.22 -0.85 0.35 -1.00 0.00 0.00 179.01 177.77 3a13 h PHE 173 N 0.32 0.38 -0.48 4.33 3.57 -0.79 -3.26 116.94 121.01 3a13 h PHE 173 Ca 0.08 -0.20 0.09 0.00 3.53 0.00 0.00 57.97 61.48 3a13 h PHE 173 Cb -0.00 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.61 3a13 h PHE 173 CO 0.00 0.99 0.00 1.49 -2.23 0.00 0.00 178.31 178.56 3a13 h GLU 174 N 0.16 0.11 -0.08 1.11 4.81 -0.79 -0.29 114.58 119.60 3a13 h GLU 174 Ca -0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3a13 h GLU 174 Cb 1.46 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 3a13 h GLU 174 CO 0.13 0.07 0.01 -0.22 -0.73 0.00 0.00 179.01 178.28 3a13 h LYS 175 N 0.12 0.15 -0.32 1.92 1.63 -1.65 -1.72 116.57 116.70 3a13 h LYS 175 Ca 0.24 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 3a13 h LYS 175 Cb 0.36 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 3a13 h LYS 175 CO -0.40 0.39 0.01 1.25 -3.45 0.00 0.00 179.45 177.25 3a13 h LEU 176 N -0.12 -0.10 -0.58 5.20 5.85 -1.54 -1.31 115.31 122.71 3a13 h LEU 176 Ca 0.02 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3a13 h LEU 176 Cb 0.32 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3a13 h LEU 176 CO 0.00 -0.02 0.36 0.00 -0.34 0.00 0.00 178.44 178.45 3a13 h ALA 177 N 1.27 0.74 -0.27 1.25 0.00 -1.00 -0.05 119.26 121.19 3a13 h ALA 177 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a13 h ALA 177 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3a13 h ALA 177 CO -0.25 0.21 0.11 -0.92 0.00 0.00 0.00 179.25 178.41 3a13 h TYR 178 N 0.79 0.21 -0.35 0.00 3.20 -0.91 -1.18 116.97 118.72 3a13 h TYR 178 Ca 0.21 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3a13 h TYR 178 Cb -0.04 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3a13 h TYR 178 CO -0.02 0.11 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.04 3a13 h ASP 179 N 0.25 0.71 -0.01 -2.11 3.32 -0.83 -1.04 116.42 116.71 3a13 h ASP 179 Ca 0.12 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 3a13 h ASP 179 Cb 0.06 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3a13 h ASP 179 CO -0.10 0.93 0.00 -0.07 -1.72 0.00 0.00 179.24 178.28 3a13 h LEU 180 N 0.49 0.01 -0.65 1.55 3.38 -0.93 -1.57 115.31 117.59 3a13 h LEU 180 Ca 0.08 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3a13 h LEU 180 Cb 0.64 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3a13 h LEU 180 CO 0.04 0.21 0.04 -0.07 0.09 0.00 0.00 178.44 178.75 3a13 h LEU 181 N -0.19 1.06 -1.94 1.67 3.38 -1.26 -1.99 115.31 116.05 3a13 h LEU 181 Ca 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3a13 h LEU 181 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3a13 h LEU 181 CO -0.00 1.09 -0.09 0.28 0.09 0.00 0.00 178.44 179.80 3a13 h SER 182 N 1.01 0.00 -0.58 -0.43 0.02 -1.13 -3.10 113.55 109.33 3a13 h SER 182 Ca 0.19 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 3a13 h SER 182 Cb 0.52 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.93 3a13 h SER 182 CO 0.02 0.09 0.18 0.59 -1.14 0.00 0.00 176.83 176.58 3a13 n ASN 183 N -4.15 3.87 0.00 3.07 3.02 -0.60 -4.94 115.26 115.53 3a13 n ASN 183 Ca -0.03 -3.39 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 3a13 n ASN 183 Cb 0.18 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.63 0.51 3.72 7.41 0.00 -1.13 -2.98 105.19 112.09 3a13 n GLY 184 Ca 0.38 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3a13 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a13 s ALA 185 N -0.92 3.92 0.11 4.61 0.00 -0.81 -4.90 121.76 123.79 3a13 s ALA 185 Ca 0.00 1.57 0.12 0.00 0.00 0.00 0.00 51.96 53.65 3a13 s ALA 185 Cb 0.00 -3.69 0.17 0.00 0.00 0.00 0.00 23.12 19.60 3a13 s ALA 185 CO 0.00 -0.91 1.49 -0.44 0.00 0.00 0.00 175.76 175.90 3a13 h ASP 186 N 6.74 0.00 -5.04 0.00 3.32 -0.46 -3.39 116.42 117.59 3a13 h ASP 186 Ca -0.43 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3a13 h ASP 186 Cb 1.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 3a13 h ASP 186 CO 0.95 0.67 -0.09 -0.72 -1.72 0.00 0.00 179.24 178.33 3a13 s TYR 187 N -3.17 -0.28 0.00 4.55 -0.85 -1.11 -2.25 117.35 114.24 3a13 s TYR 187 Ca 0.01 0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.79 3a13 s TYR 187 Cb 0.10 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.68 3a13 s TYR 187 CO 0.76 -0.58 0.00 -1.33 -1.52 0.00 0.00 175.55 172.88 3a13 n MET 188 N 0.46 1.60 -5.03 -3.49 2.81 -1.11 -1.50 117.12 110.86 3a13 n MET 188 Ca -0.18 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.39 3a13 n MET 188 Cb 0.60 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.94 3.62 0.72 7.83 1.01 -0.63 -0.68 116.67 127.60 3a13 s ASP 190 Ca 0.00 -0.33 -0.15 0.00 0.71 0.00 0.00 52.55 52.78 3a13 s ASP 190 Cb 0.00 -0.62 0.04 0.00 1.01 0.00 0.00 42.92 43.34 3a13 s ASP 190 CO 0.00 0.33 1.19 -0.62 0.21 0.00 0.00 175.17 176.28 3a13 s ASP 191 N -0.76 4.30 0.59 0.27 2.15 -1.26 -4.84 116.67 117.13 3a13 s ASP 191 Ca 0.11 2.30 0.35 0.00 0.43 0.00 0.00 52.55 55.74 3a13 s ASP 191 Cb -0.10 -2.58 1.88 0.00 -0.30 0.00 0.00 42.92 41.81 3a13 s ASP 191 CO 0.00 -2.19 2.21 1.05 -0.17 0.00 0.00 175.17 176.08 3a13 h GLU 192 N -0.29 0.00 -0.18 4.34 9.09 -2.00 -0.63 114.58 124.92 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 0.04 0.00 0.27 0.05 0.00 0.00 179.01 179.87 3a13 n ASN 193 N -3.43 2.92 -4.55 3.06 6.94 -1.26 -4.84 115.26 114.10 3a13 n ASN 193 Ca -0.02 -1.93 -0.42 0.00 -0.02 0.00 0.00 54.58 52.19 3a13 n ASN 193 Cb 0.15 -0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 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 -1.76 4.31 0.00 -4.53 2.96 -0.24 -4.95 118.68 114.46 3a13 s LEU 194 Ca 0.34 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3a13 s LEU 194 Cb 0.21 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 44.08 3a13 s LEU 194 CO 0.31 -0.71 0.00 0.35 -1.32 0.00 0.00 176.35 174.98 3a13 n THR 195 N 5.77 0.00 -3.08 3.68 -2.24 -1.26 -4.70 114.28 112.46 3a13 n THR 195 Ca -0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 3a13 n THR 195 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.12 -4.69 3.42 2.88 -1.26 -4.10 113.62 110.99 3a13 n SER 196 Ca 0.00 -2.99 -0.29 0.00 -1.33 0.00 0.00 58.87 54.26 3a13 n SER 196 Cb 0.00 -0.60 0.14 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.61 1.09 0.33 -1.46 0.04 -1.23 -4.69 135.00 126.47 3a13 s PRO 197 Ca 0.38 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.65 3a13 s PRO 197 Cb 0.37 -1.84 0.68 0.00 0.04 0.00 0.00 34.50 33.75 3a13 s PRO 197 CO -0.06 -2.21 1.88 0.11 0.04 0.00 0.00 177.00 176.76 3a13 h TRP 198 N -1.50 0.95 -0.00 0.56 5.08 -2.01 -1.52 115.95 117.51 3a13 h TRP 198 Ca -0.49 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3a13 h TRP 198 Cb 1.32 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 27.18 3a13 h TRP 198 CO 0.02 0.40 -0.02 2.48 -1.28 0.00 0.00 178.44 180.04 3a13 n TYR 199 N -4.56 0.00 -2.74 0.12 0.18 -1.26 -4.41 117.16 104.49 3a13 n TYR 199 Ca 0.17 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.91 3a13 n TYR 199 Cb 0.36 -0.14 0.02 0.00 -0.38 0.00 0.00 39.34 39.20 3a13 n TYR 199 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3a13 s ASN 200 N -2.30 -0.99 0.20 9.48 3.84 -0.58 -4.10 114.94 120.48 3a13 s ASN 200 Ca 0.37 -1.15 -0.30 0.00 0.21 0.00 0.00 52.86 51.99 3a13 s ASN 200 Cb 0.21 1.29 -0.08 0.00 -0.55 0.00 0.00 41.25 42.12 3a13 s ASN 200 CO 0.42 -0.04 1.13 -0.13 -2.79 0.00 0.00 177.10 175.69 3a13 s ARG 201 N 0.96 4.57 0.23 0.43 1.81 -1.14 -3.53 118.95 122.28 3a13 s ARG 201 Ca 0.27 1.78 -0.09 0.00 -1.72 0.00 0.00 55.73 55.97 3a13 s ARG 201 Cb 0.05 -3.25 0.36 0.00 -0.45 0.00 0.00 34.95 31.66 3a13 s ARG 201 CO -0.07 0.05 1.65 0.35 -0.68 0.00 0.00 175.30 176.59 3a13 h PHE 202 N 4.92 -0.06 -0.07 -0.53 3.57 -1.84 -1.96 116.94 120.97 3a13 h PHE 202 Ca -0.45 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 60.97 3a13 h PHE 202 Cb 1.21 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 3a13 h PHE 202 CO 0.62 -0.20 -0.57 1.05 -2.23 0.00 0.00 178.31 176.97 3a13 h GLU 203 N 0.11 0.22 0.23 1.11 9.09 -1.94 0.41 114.58 123.80 3a13 h GLU 203 Ca 0.36 -0.14 -0.01 0.00 0.05 0.00 0.00 59.36 59.62 3a13 h GLU 203 Cb 0.61 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3a13 h GLU 203 CO -0.60 0.73 -0.11 0.93 0.05 0.00 0.00 179.01 180.01 3a13 h GLU 204 N 0.17 -0.29 0.00 1.06 5.08 -1.78 0.16 114.58 118.97 3a13 h GLU 204 Ca -0.00 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3a13 h GLU 204 Cb 1.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3a13 h GLU 204 CO 0.09 -0.03 -0.25 0.07 -1.00 0.00 0.00 179.01 177.89 3a13 h ARG 205 N -0.54 0.00 -0.01 2.33 0.11 -1.27 -1.85 114.38 113.15 3a13 h ARG 205 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 3a13 h ARG 205 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 3a13 h ARG 205 CO 0.05 0.25 0.00 0.00 0.10 0.00 0.00 179.97 180.37 3a13 h ALA 206 N 1.75 0.01 -0.59 0.08 0.00 -0.69 -1.00 119.26 118.81 3a13 h ALA 206 Ca -0.00 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3a13 h ALA 206 Cb 0.50 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3a13 h ALA 206 CO 0.03 -0.40 0.22 0.93 0.00 0.00 0.00 179.25 180.03 3a13 h GLU 207 N -0.17 0.38 -0.60 0.00 4.39 -0.22 -1.09 114.58 117.28 3a13 h GLU 207 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3a13 h GLU 207 Cb 0.18 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3a13 h GLU 207 CO -0.00 0.25 0.36 0.82 -1.16 0.00 0.00 179.01 179.29 3a13 h ILE 208 N 0.39 1.18 -0.16 3.13 2.04 -1.23 -3.01 117.51 119.86 3a13 h ILE 208 Ca 0.30 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.61 3a13 h ILE 208 Cb 0.37 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3a13 h ILE 208 CO -0.30 0.18 -0.59 0.24 0.00 0.00 0.00 178.15 177.68 3a13 h MET 209 N 0.81 0.51 -0.84 2.37 2.86 -0.50 -0.07 114.93 120.08 3a13 h MET 209 Ca 0.22 -0.34 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3a13 h MET 209 Cb -0.03 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 3a13 h MET 209 CO -0.04 0.95 0.51 0.00 1.06 0.00 0.00 176.91 179.39 3a13 h ALA 210 N 0.98 1.16 0.01 6.32 0.00 -1.17 0.29 119.26 126.85 3a13 h ALA 210 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3a13 h ALA 210 Cb 1.13 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.73 3a13 h ALA 210 CO 0.11 0.23 -0.82 -0.22 0.00 0.00 0.00 179.25 178.55 3a13 h LYS 211 N 0.92 0.54 -0.86 0.00 3.64 -1.33 -2.71 116.57 116.78 3a13 h LYS 211 Ca 0.37 -0.60 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3a13 h LYS 211 Cb 0.20 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3a13 h LYS 211 CO -0.19 1.22 0.57 0.82 -2.27 0.00 0.00 179.45 179.60 3a13 h ILE 212 N 0.12 1.22 -0.43 2.00 1.08 -0.86 -1.77 117.51 118.88 3a13 h ILE 212 Ca -0.10 -0.41 -0.13 0.00 -0.39 0.00 0.00 64.86 63.83 3a13 h ILE 212 Cb 1.51 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 3a13 h ILE 212 CO 0.16 0.21 -0.25 0.40 -0.69 0.00 0.00 178.15 177.98 3a13 h ILE 213 N 1.16 1.27 -0.75 -0.67 2.04 -0.93 -0.60 117.51 119.03 3a13 h ILE 213 Ca 0.31 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 3a13 h ILE 213 Cb -0.13 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3a13 h ILE 213 CO -0.07 0.48 0.28 0.44 0.00 0.00 0.00 178.15 179.28 3a13 h ASP 214 N 0.75 1.06 0.33 1.72 3.32 -1.29 -1.79 116.42 120.51 3a13 h ASP 214 Ca 0.09 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3a13 h ASP 214 Cb 0.83 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3a13 h ASP 214 CO 0.07 0.96 -0.16 0.50 -1.72 0.00 0.00 179.24 178.90 3a13 h LYS 215 N 1.10 -0.42 -0.78 3.56 3.64 -1.07 -0.42 116.57 122.17 3a13 h LYS 215 Ca 0.25 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3a13 h LYS 215 Cb 0.25 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3a13 h LYS 215 CO -0.02 -0.15 0.35 0.28 -2.27 0.00 0.00 179.45 177.65 3a13 h VAL 216 N -0.68 1.25 -0.17 2.00 2.07 -1.12 0.32 116.25 119.93 3a13 h VAL 216 Ca -0.04 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3a13 h VAL 216 Cb 0.47 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3a13 h VAL 216 CO 0.07 0.31 0.07 -0.33 0.02 0.00 0.00 177.57 177.71 3a13 h GLU 217 N 1.11 0.26 -0.23 1.57 5.08 -1.34 0.38 114.58 121.40 3a13 h GLU 217 Ca 0.26 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3a13 h GLU 217 Cb 0.16 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3a13 h GLU 217 CO -0.03 0.34 -0.18 -0.97 -1.00 0.00 0.00 179.01 177.18 3a13 h ASN 218 N 0.12 -0.57 -0.22 1.42 -1.24 -0.50 0.14 115.58 114.73 3a13 h ASN 218 Ca 0.06 0.11 -0.13 0.00 0.71 0.00 0.00 56.30 57.05 3a13 h ASN 218 Cb 0.18 0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3a13 h ASN 218 CO -0.00 -0.22 -0.34 -0.33 -1.29 0.00 0.00 177.43 175.25 3a13 h GLU 219 N -0.17 0.73 0.00 6.67 5.08 -0.15 -3.36 114.58 123.38 3a13 h GLU 219 Ca 0.13 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3a13 h GLU 219 Cb 0.37 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3a13 h GLU 219 CO -0.33 0.96 -1.80 0.25 -1.00 0.00 0.00 179.01 177.09 3a13 n THR 220 N -4.06 0.03 -0.91 1.13 -2.24 0.13 -4.98 114.28 103.39 3a13 n THR 220 Ca -0.01 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3a13 n THR 220 Cb 0.49 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.54 0.68 3.76 3.38 0.00 0.48 -5.02 105.19 110.01 3a13 n GLY 221 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.29 3.16 0.37 1.61 2.02 -1.26 -5.06 118.70 119.25 3a13 s GLU 222 Ca 0.00 -0.31 -0.25 0.00 0.02 0.00 0.00 54.97 54.43 3a13 s GLU 222 Cb 0.00 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 3a13 s GLU 222 CO 0.00 0.73 1.07 0.15 0.02 0.00 0.00 175.26 177.22 3a13 s LYS 223 N -1.01 4.27 0.12 1.61 -0.14 -1.26 -4.15 119.74 119.19 3a13 s LYS 223 Ca 0.15 1.60 0.03 0.00 -1.36 0.00 0.00 55.97 56.39 3a13 s LYS 223 Cb -0.12 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.28 3a13 s LYS 223 CO 0.04 -0.06 -0.08 0.15 -0.76 0.00 0.00 175.35 174.63 3a13 s LYS 224 N -2.23 0.94 0.38 1.68 -0.14 -1.26 -4.87 119.74 114.24 3a13 s LYS 224 Ca 0.54 -1.38 -0.09 0.00 -1.36 0.00 0.00 55.97 53.69 3a13 s LYS 224 Cb -0.25 -0.42 0.03 0.00 -1.68 0.00 0.00 37.83 35.51 3a13 s LYS 224 CO 0.31 0.03 0.65 -0.08 -0.76 0.00 0.00 175.35 175.50 3a13 s THR 225 N -3.40 0.00 -0.15 2.17 -1.32 -0.95 -5.00 115.64 106.98 3a13 s THR 225 Ca 0.14 -1.29 -0.06 0.00 -1.21 0.00 0.00 61.69 59.27 3a13 s THR 225 Cb 0.03 -2.83 0.07 0.00 -1.51 0.00 0.00 72.50 68.26 3a13 s THR 225 CO -0.02 0.00 0.32 0.86 -2.21 0.00 0.00 174.62 173.57 3a13 s TRP 226 N -2.51 -0.56 -0.85 9.09 -0.00 -1.26 -2.74 118.94 120.11 3a13 s TRP 226 Ca 0.23 1.17 -0.22 0.00 -0.00 0.00 0.00 56.10 57.28 3a13 s TRP 226 Cb -0.03 0.10 0.07 0.00 -0.00 0.00 0.00 33.47 33.61 3a13 s TRP 226 CO 0.17 -0.39 1.20 -0.06 -0.00 0.00 0.00 176.95 177.87 3a13 s PHE 227 N 2.38 2.69 -0.32 5.86 0.08 0.14 -4.34 117.98 124.48 3a13 s PHE 227 Ca -0.01 -0.78 -0.20 0.00 0.12 0.00 0.00 56.93 56.06 3a13 s PHE 227 Cb -0.12 -4.46 -0.01 0.00 -0.57 0.00 0.00 43.02 37.86 3a13 s PHE 227 CO -0.10 -1.76 0.60 0.00 -0.10 0.00 0.00 175.22 173.86 3a13 s ALA 228 N 4.22 3.52 -0.69 5.36 0.00 -1.26 -1.61 121.76 131.30 3a13 s ALA 228 Ca 0.34 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 3a13 s ALA 228 Cb -0.07 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3a13 s ALA 228 CO -0.00 -1.10 1.71 1.21 0.00 0.00 0.00 175.76 177.58 3a13 s ASN 229 N 1.67 5.52 0.00 0.00 2.47 -1.26 0.18 114.94 123.53 3a13 s ASN 229 Ca 0.24 -0.03 0.29 0.00 0.42 0.00 0.00 52.86 53.78 3a13 s ASN 229 Cb -0.15 -2.54 1.37 0.00 -1.45 0.00 0.00 41.25 38.48 3a13 s ASN 229 CO 0.12 -2.25 1.94 2.30 -3.72 0.00 0.00 177.10 175.49 3a13 n ILE 230 N 7.06 0.00 -1.70 -5.21 -5.35 -0.63 -4.74 119.36 108.79 3a13 n ILE 230 Ca 0.19 -0.06 -0.58 0.00 -0.27 0.00 0.00 62.75 62.02 3a13 n ILE 230 Cb 0.51 -0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 38.17 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 -0.90 0.24 -3.89 7.28 -1.04 -1.26 -4.26 114.28 110.45 3a13 n THR 231 Ca 0.17 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.14 3a13 n THR 231 Cb 0.25 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 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 4.90 -1.13 -0.96 2.41 0.00 -1.26 -4.88 120.51 119.59 3a13 n ALA 232 Ca 0.26 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 3a13 n ALA 232 Cb 0.11 0.05 0.13 0.00 0.00 0.00 0.00 19.45 19.74 3a13 n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a13 n ASP 233 N -0.45 0.24 -0.03 0.00 8.00 -1.26 -4.65 116.55 118.39 3a13 n ASP 233 Ca 0.01 0.51 -0.09 0.00 0.71 0.00 0.00 54.79 55.93 3a13 n ASP 233 Cb 0.18 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.82 3a13 n ASP 233 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a13 h LEU 234 N -1.22 -0.90 -0.63 0.64 5.85 -1.99 -2.14 115.31 114.92 3a13 h LEU 234 Ca -0.45 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3a13 h LEU 234 Cb 1.29 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 3a13 h LEU 234 CO 0.43 -0.32 0.31 -0.07 -0.34 0.00 0.00 178.44 178.44 3a13 h LEU 235 N -0.32 0.41 -0.75 2.25 4.07 -2.00 -1.11 115.31 117.86 3a13 h LEU 235 Ca 0.12 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 3a13 h LEU 235 Cb 0.51 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 3a13 h LEU 235 CO -0.38 0.25 0.04 1.05 -1.08 0.00 0.00 178.44 178.33 3a13 h GLU 236 N 0.56 0.99 -0.83 1.13 9.09 -1.80 -1.65 114.58 122.07 3a13 h GLU 236 Ca 0.30 -0.28 0.08 0.00 0.05 0.00 0.00 59.36 59.51 3a13 h GLU 236 Cb 0.27 -0.11 -0.07 0.00 -1.65 0.00 0.00 28.75 27.20 3a13 h GLU 236 CO -0.23 0.95 0.49 0.52 0.05 0.00 0.00 179.01 180.79 3a13 h MET 237 N 0.92 0.84 -0.36 1.06 2.86 -0.83 0.19 114.93 119.61 3a13 h MET 237 Ca 0.18 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3a13 h MET 237 Cb 0.48 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3a13 h MET 237 CO 0.02 0.56 0.23 0.93 1.06 0.00 0.00 176.91 179.70 3a13 h GLU 238 N 0.87 0.45 -0.70 1.72 5.08 -0.66 -0.18 114.58 121.16 3a13 h GLU 238 Ca 0.38 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 3a13 h GLU 238 Cb 0.25 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3a13 h GLU 238 CO -0.20 0.29 0.30 1.96 -1.00 0.00 0.00 179.01 180.36 3a13 h GLN 239 N 0.46 1.01 -0.28 2.33 4.20 -0.50 -2.12 115.11 120.22 3a13 h GLN 239 Ca 0.14 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 3a13 h GLN 239 Cb -0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3a13 h GLN 239 CO -0.05 0.81 -0.47 0.00 -0.67 0.00 0.00 178.83 178.45 3a13 h ARG 240 N 1.00 0.75 -0.84 1.46 3.08 -0.19 -0.46 114.38 119.19 3a13 h ARG 240 Ca 0.24 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3a13 h ARG 240 Cb 0.16 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3a13 h ARG 240 CO -0.02 1.06 0.41 -0.07 -1.07 0.00 0.00 179.97 180.27 3a13 h LEU 241 N 0.60 1.09 0.19 3.04 3.38 -0.94 -2.23 115.31 120.43 3a13 h LEU 241 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3a13 h LEU 241 Cb 1.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3a13 h LEU 241 CO 0.10 0.91 -0.09 -0.08 0.09 0.00 0.00 178.44 179.37 3a13 h GLU 242 N 1.19 -0.25 -0.73 1.13 4.81 -1.00 -1.42 114.58 118.31 3a13 h GLU 242 Ca 0.29 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.70 3a13 h GLU 242 Cb 0.11 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.42 3a13 h GLU 242 CO -0.04 -0.02 0.09 0.28 -0.73 0.00 0.00 179.01 178.59 3a13 h VAL 243 N -0.44 0.43 -0.65 0.32 2.07 -1.02 0.11 116.25 117.08 3a13 h VAL 243 Ca -0.03 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3a13 h VAL 243 Cb 0.34 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3a13 h VAL 243 CO 0.04 0.03 0.36 -0.07 0.02 0.00 0.00 177.57 177.96 3a13 h LEU 244 N 0.18 0.81 -0.28 2.57 3.38 -1.11 -2.40 115.31 118.46 3a13 h LEU 244 Ca 0.41 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3a13 h LEU 244 Cb 0.72 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3a13 h LEU 244 CO -0.58 0.67 0.09 0.00 0.09 0.00 0.00 178.44 178.71 3a13 h ALA 245 N 1.18 0.37 -0.96 1.53 0.00 -0.12 -0.96 119.26 120.30 3a13 h ALA 245 Ca 0.23 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3a13 h ALA 245 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3a13 h ALA 245 CO -0.04 0.00 0.62 -0.44 0.00 0.00 0.00 179.25 179.39 3a13 h ASP 246 N 0.30 1.01 0.38 0.00 3.32 -0.60 -0.01 116.42 120.81 3a13 h ASP 246 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3a13 h ASP 246 Cb 0.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3a13 h ASP 246 CO -0.00 0.66 0.00 0.18 -1.72 0.00 0.00 179.24 178.36 3a13 n LEU 247 N -4.51 0.00 -0.75 1.55 4.32 -0.92 -4.90 117.00 111.79 3a13 n LEU 247 Ca 0.14 0.24 -0.09 0.00 -0.02 0.00 0.00 56.01 56.28 3a13 n LEU 247 Cb 0.15 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.67 3a13 n LEU 247 CO 0.33 -0.05 -0.09 0.61 -1.22 0.00 0.00 177.39 176.97 3a13 n GLY 248 N 0.71 0.92 3.73 -0.72 0.00 -0.02 -4.96 105.19 104.86 3a13 n GLY 248 Ca 0.12 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.15 1.91 -0.03 0.99 1.43 -0.39 -5.02 118.68 115.42 3a13 s LEU 249 Ca 0.00 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 3a13 s LEU 249 Cb 0.00 -3.45 -0.13 0.00 0.03 0.00 0.00 46.19 42.65 3a13 s LEU 249 CO 0.00 -2.76 0.14 0.29 0.23 0.00 0.00 176.35 174.25 3a13 n LYS 250 N -3.93 1.02 -4.56 1.70 5.02 -1.26 -4.75 118.16 111.40 3a13 n LYS 250 Ca 0.06 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 3a13 n LYS 250 Cb 0.58 -1.21 -0.14 0.00 -0.02 0.00 0.00 35.03 34.24 3a13 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a13 s HIS 251 N -2.49 1.63 -0.09 2.13 3.76 -1.26 -0.74 115.29 118.23 3a13 s HIS 251 Ca -0.04 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 3a13 s HIS 251 Cb 0.05 -0.97 0.01 0.00 1.11 0.00 0.00 32.58 32.78 3a13 s HIS 251 CO 0.36 0.07 -0.18 0.00 -0.85 0.00 0.00 174.74 174.15 3a13 s ALA 252 N -0.80 1.71 -0.13 -1.40 0.00 0.56 -4.18 121.76 117.52 3a13 s ALA 252 Ca 0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 3a13 s ALA 252 Cb -0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3a13 s ALA 252 CO 0.02 0.15 0.19 1.41 0.00 0.00 0.00 175.76 177.53 3a13 s MET 253 N 0.59 3.76 -0.04 0.00 1.75 0.13 -0.38 119.30 125.10 3a13 s MET 253 Ca -0.15 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3a13 s MET 253 Cb -0.17 -3.27 0.02 0.00 2.84 0.00 0.00 34.83 34.25 3a13 s MET 253 CO 0.05 0.60 -0.05 0.08 -0.65 0.00 0.00 175.02 175.05 3a13 s VAL 254 N -0.56 0.54 -0.87 10.11 1.01 0.47 -1.61 120.40 129.51 3a13 s VAL 254 Ca 0.15 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 3a13 s VAL 254 Cb -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.73 3a13 s VAL 254 CO 0.04 0.22 1.43 -1.81 0.00 0.00 0.00 175.10 174.98 3a13 s ASP 255 N 0.79 6.19 0.17 3.32 1.01 -1.26 -0.49 116.67 126.39 3a13 s ASP 255 Ca -0.11 -0.86 -0.00 0.00 0.71 0.00 0.00 52.55 52.29 3a13 s ASP 255 Cb -0.13 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.25 3a13 s ASP 255 CO 0.00 -1.78 1.40 -0.37 0.21 0.00 0.00 175.17 174.63 3a13 h VAL 256 N 6.50 1.42 -0.10 -1.27 -1.51 -1.46 -0.65 116.25 119.18 3a13 h VAL 256 Ca -0.04 -2.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.08 3a13 h VAL 256 Cb 1.04 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 32.47 3a13 h VAL 256 CO 1.34 0.69 0.02 0.58 -1.23 0.00 0.00 177.57 178.97 3a13 h VAL 257 N 0.20 1.21 -0.54 7.19 2.07 -1.80 -1.93 116.25 122.65 3a13 h VAL 257 Ca -0.04 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3a13 h VAL 257 Cb 1.41 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 3a13 h VAL 257 CO 0.13 0.18 0.16 0.40 0.02 0.00 0.00 177.57 178.46 3a13 h ILE 258 N -0.06 1.24 -0.64 4.57 2.04 -1.69 -3.02 117.51 119.95 3a13 h ILE 258 Ca 0.03 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.14 3a13 h ILE 258 Cb 0.27 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3a13 h ILE 258 CO 0.00 0.30 0.33 0.74 0.00 0.00 0.00 178.15 179.52 3a13 h THR 259 N 0.75 0.93 0.00 -0.27 2.02 -1.03 -3.48 112.91 111.83 3a13 h THR 259 Ca 0.17 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3a13 h THR 259 Cb 0.29 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3a13 h THR 259 CO -0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 3a13 n GLY 260 N -1.28 1.01 0.20 2.16 0.00 -0.73 -4.69 105.19 101.86 3a13 n GLY 260 Ca 0.08 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 1.61 4.06 -1.88 -3.16 115.95 116.58 3a13 h TRP 261 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3a13 h TRP 261 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3a13 h TRP 261 CO 0.00 0.35 -0.10 0.78 -3.56 0.00 0.00 178.44 175.91 3a13 h GLY 262 N 1.75 0.00 0.00 1.49 0.00 -2.00 -3.26 103.07 101.05 3a13 h GLY 262 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a13 h GLY 262 CO 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.55 3a13 n ALA 263 N -2.34 1.91 -0.14 3.60 0.00 -1.23 -4.80 120.51 117.51 3a13 n ALA 263 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 3a13 n ALA 263 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.57 -1.05 0.00 5.85 -1.59 -1.27 115.31 117.82 3a13 h LEU 264 Ca 0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3a13 h LEU 264 Cb 0.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3a13 h LEU 264 CO 0.00 0.58 0.08 -0.09 -0.34 0.00 0.00 178.44 178.67 3a13 h ARG 265 N 0.53 0.77 -0.27 1.25 2.43 -1.87 0.15 114.38 117.36 3a13 h ARG 265 Ca 0.14 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3a13 h ARG 265 Cb 0.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3a13 h ARG 265 CO -0.01 0.72 -0.22 -0.92 -1.51 0.00 0.00 179.97 178.03 3a13 h TYR 266 N 0.74 0.74 -0.68 2.20 3.20 -1.80 0.12 116.97 121.48 3a13 h TYR 266 Ca 0.16 -0.21 0.03 0.00 3.14 0.00 0.00 58.73 61.85 3a13 h TYR 266 Cb 0.33 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3a13 h TYR 266 CO 0.02 0.91 0.42 0.82 -1.64 0.00 0.00 178.16 178.69 3a13 h ILE 267 N 0.35 1.09 -0.24 1.81 1.08 -0.78 0.17 117.51 120.98 3a13 h ILE 267 Ca 0.05 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3a13 h ILE 267 Cb 0.76 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3a13 h ILE 267 CO 0.06 0.15 0.12 -0.09 -0.69 0.00 0.00 178.15 177.70 3a13 h ARG 268 N 0.83 0.35 -0.71 2.37 1.12 -0.58 -0.28 114.38 117.47 3a13 h ARG 268 Ca 0.27 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.09 3a13 h ARG 268 Cb 0.03 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 29.89 3a13 h ARG 268 CO -0.11 0.34 0.42 -0.44 -3.11 0.00 0.00 179.97 177.07 3a13 h ASP 269 N 0.27 0.87 -0.22 -3.80 3.32 -0.09 0.12 116.42 116.89 3a13 h ASP 269 Ca 0.08 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3a13 h ASP 269 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3a13 h ASP 269 CO -0.01 0.69 0.13 0.25 -1.72 0.00 0.00 179.24 178.58 3a13 h LEU 270 N 0.97 0.26 -0.35 1.55 5.85 -0.47 -0.96 115.31 122.17 3a13 h LEU 270 Ca 0.25 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3a13 h LEU 270 Cb -0.01 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3a13 h LEU 270 CO -0.05 0.23 0.19 0.00 -0.34 0.00 0.00 178.44 178.48 3a13 h ALA 271 N 1.04 0.43 -0.52 1.25 0.00 -0.67 -0.75 119.26 120.04 3a13 h ALA 271 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3a13 h ALA 271 Cb 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3a13 h ALA 271 CO -0.01 -0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.31 3a13 h ALA 272 N 1.17 0.67 -0.77 0.00 0.00 -0.74 0.40 119.26 119.98 3a13 h ALA 272 Ca 0.14 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3a13 h ALA 272 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3a13 h ALA 272 CO -0.09 -0.11 0.51 -0.44 0.00 0.00 0.00 179.25 179.12 3a13 h ASP 273 N 0.48 0.84 0.43 0.00 3.32 -0.74 -0.04 116.42 120.71 3a13 h ASP 273 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3a13 h ASP 273 Cb 0.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3a13 h ASP 273 CO -0.19 0.59 0.00 -1.22 -1.72 0.00 0.00 179.24 176.70 3a13 n TYR 274 N -4.44 0.00 -2.41 4.55 4.01 -0.33 -4.89 117.16 113.65 3a13 n TYR 274 Ca 0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 3a13 n TYR 274 Cb 0.08 -0.24 0.01 0.00 -0.31 0.00 0.00 39.34 38.88 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 0.95 0.08 3.47 2.72 0.00 -0.03 -4.91 105.19 107.48 3a13 n GLY 275 Ca 0.14 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.96 3.32 0.37 0.99 1.43 0.04 -4.87 118.68 117.00 3a13 s LEU 276 Ca 0.07 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 3a13 s LEU 276 Cb -0.03 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.26 3a13 s LEU 276 CO 0.09 0.09 1.15 0.00 0.23 0.00 0.00 176.35 177.91 3a13 s ALA 277 N 0.85 3.22 -0.23 4.21 0.00 0.08 -4.18 121.76 125.70 3a13 s ALA 277 Ca 0.01 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 3a13 s ALA 277 Cb -0.14 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3a13 s ALA 277 CO 0.02 -0.43 0.10 0.42 0.00 0.00 0.00 175.76 175.88 3a13 s ILE 278 N -1.38 4.88 -0.29 0.00 1.01 -1.26 -0.32 121.20 123.83 3a13 s ILE 278 Ca 0.54 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 3a13 s ILE 278 Cb -0.30 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3a13 s ILE 278 CO 0.39 0.37 0.21 -2.28 0.00 0.00 0.00 174.94 173.63 3a13 s HIS 279 N 1.03 3.22 -0.30 3.97 2.46 0.49 -1.55 115.29 124.62 3a13 s HIS 279 Ca 0.05 0.06 -0.12 0.00 0.47 0.00 0.00 55.06 55.52 3a13 s HIS 279 Cb -0.14 -2.41 -0.03 0.00 -0.13 0.00 0.00 32.58 29.86 3a13 s HIS 279 CO 0.04 -0.21 0.24 0.20 -2.47 0.00 0.00 174.74 172.54 3a13 s GLY 280 N 1.75 1.93 -0.14 1.59 0.00 0.21 -0.39 107.32 112.27 3a13 s GLY 280 Ca 0.07 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 3a13 s GLY 280 CO 0.11 0.76 0.06 -1.58 0.00 0.00 0.00 173.10 172.45 3a13 s HIS 281 N 1.81 3.30 -0.93 1.90 2.46 0.35 -2.99 115.29 121.19 3a13 s HIS 281 Ca 0.08 0.21 0.17 0.00 0.47 0.00 0.00 55.06 56.00 3a13 s HIS 281 Cb -0.16 -1.96 0.74 0.00 -0.13 0.00 0.00 32.58 31.07 3a13 s HIS 281 CO 0.11 0.39 1.66 2.89 -2.47 0.00 0.00 174.74 177.31 3a13 n ARG 282 N 2.75 3.99 -1.38 2.88 1.85 -1.26 -1.09 116.66 124.40 3a13 n ARG 282 Ca -0.18 -2.96 -0.52 0.00 -1.00 0.00 0.00 57.85 53.19 3a13 n ARG 282 Cb 0.53 -1.98 -0.06 0.00 -1.05 0.00 0.00 32.46 29.91 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 1.00 -3.22 0.00 2.89 0.00 -1.26 -1.04 120.51 118.88 3a13 n ALA 283 Ca 0.26 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3a13 n ALA 283 Cb 0.96 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.24 0.00 -0.17 0.00 0.00 -1.26 -4.08 117.12 112.85 3a13 n MET 284 Ca 0.18 0.00 0.20 0.00 -0.00 0.00 0.00 57.70 58.08 3a13 n MET 284 Cb 0.13 -0.20 0.57 0.00 0.00 0.00 0.00 33.22 33.72 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 0.36 0.00 1.12 -0.00 -1.50 -1.70 115.15 113.43 3a13 h HIS 285 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3a13 h HIS 285 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 3a13 h HIS 285 CO 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 177.93 178.04 3a13 n ALA 286 N -2.57 1.96 0.28 6.11 0.00 -1.26 -1.13 120.51 123.90 3a13 n ALA 286 Ca 0.16 -0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.77 3a13 n ALA 286 Cb 0.68 -1.40 0.94 0.00 0.00 0.00 0.00 19.45 19.67 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 2.52 1.51 0.00 0.00 0.00 -1.72 -3.32 119.26 118.25 3a13 h ALA 287 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a13 h ALA 287 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3a13 h ALA 287 CO 0.00 -0.11 0.00 1.97 0.00 0.00 0.00 179.25 181.11 3a13 n PHE 288 N -3.64 0.00 0.89 0.00 1.16 -0.42 -4.83 117.46 110.61 3a13 n PHE 288 Ca -0.01 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.66 3a13 n PHE 288 Cb 0.17 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.01 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 -0.20 0.00 0.04 1.97 -2.24 -0.28 -1.37 114.28 112.19 3a13 n THR 289 Ca 0.00 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 3a13 n THR 289 Cb 0.05 1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.48 0.32 -6.36 -0.78 2.43 -1.80 -3.42 114.38 106.25 3a13 h ARG 290 Ca 0.00 -0.55 -0.57 0.00 -0.81 0.00 0.00 59.98 58.05 3a13 h ARG 290 Cb 0.60 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3a13 h ARG 290 CO 0.00 1.26 1.09 1.21 -1.51 0.00 0.00 179.97 182.03 3a13 s ASN 291 N -7.17 6.38 0.00 -3.80 3.84 -1.26 -4.88 114.94 108.05 3a13 s ASN 291 Ca -0.19 1.27 0.12 0.00 0.21 0.00 0.00 52.86 54.28 3a13 s ASN 291 Cb 0.05 -2.54 0.64 0.00 -0.55 0.00 0.00 41.25 38.86 3a13 s ASN 291 CO 0.81 -1.32 1.28 -0.81 -2.79 0.00 0.00 177.10 174.27 3a13 n PRO 292 N 7.78 0.21 0.00 0.43 -0.04 -1.26 -2.25 135.00 139.87 3a13 n PRO 292 Ca 0.18 0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 3a13 n PRO 292 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 3a13 n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a13 n TYR 293 N -1.23 0.00 -3.64 0.54 4.01 -1.26 -4.91 117.16 110.67 3a13 n TYR 293 Ca 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.77 3a13 n TYR 293 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.08 -1.21 -1.68 -0.72 2.46 -0.96 -2.26 115.29 109.85 3a13 s HIS 294 Ca 0.06 2.22 0.00 0.00 0.47 0.00 0.00 55.06 57.81 3a13 s HIS 294 Cb 0.06 0.72 0.00 0.00 -0.13 0.00 0.00 32.58 33.23 3a13 s HIS 294 CO 0.18 -0.60 0.00 0.41 -2.47 0.00 0.00 174.74 172.26 3a13 n GLY 295 N 4.92 0.42 3.07 1.59 0.00 0.04 -4.34 105.19 110.89 3a13 n GLY 295 Ca -0.16 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.20 1.61 0.53 -0.61 1.01 -0.47 -0.77 121.20 120.30 3a13 s ILE 296 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 3a13 s ILE 296 Cb 0.00 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 3a13 s ILE 296 CO 0.00 0.46 1.28 -0.55 0.00 0.00 0.00 174.94 176.13 3a13 s SER 297 N 1.03 5.51 0.51 3.58 0.15 -0.22 -3.70 113.70 120.57 3a13 s SER 297 Ca -0.05 2.57 0.21 0.00 0.70 0.00 0.00 55.95 59.38 3a13 s SER 297 Cb -0.15 -2.62 1.35 0.00 -1.71 0.00 0.00 66.02 62.90 3a13 s SER 297 CO -0.03 -1.39 2.10 -0.03 1.20 0.00 0.00 173.24 175.10 3a13 h MET 298 N 1.53 0.00 -0.91 5.44 4.05 -1.90 -1.86 114.93 121.28 3a13 h MET 298 Ca -0.50 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.93 3a13 h MET 298 Cb 1.28 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.04 3a13 h MET 298 CO 0.58 0.09 0.60 0.35 0.23 0.00 0.00 176.91 178.76 3a13 h PHE 299 N 0.00 1.14 -0.13 1.39 3.57 -1.91 0.19 116.94 121.19 3a13 h PHE 299 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3a13 h PHE 299 Cb 0.19 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 3a13 h PHE 299 CO 0.00 0.71 -0.04 0.28 -2.23 0.00 0.00 178.31 177.04 3a13 h VAL 300 N 1.22 1.29 -0.38 1.41 2.07 -1.54 -2.14 116.25 118.19 3a13 h VAL 300 Ca 0.33 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3a13 h VAL 300 Cb -0.14 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3a13 h VAL 300 CO -0.07 0.29 0.17 -0.07 0.02 0.00 0.00 177.57 177.91 3a13 h LEU 301 N -0.06 0.23 -0.25 2.57 3.38 -1.32 -0.35 115.31 119.51 3a13 h LEU 301 Ca 0.03 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3a13 h LEU 301 Cb 0.47 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3a13 h LEU 301 CO 0.01 0.17 -0.12 0.00 0.09 0.00 0.00 178.44 178.59 3a13 h ALA 302 N 1.22 0.08 -0.13 1.53 0.00 -0.63 0.19 119.26 121.51 3a13 h ALA 302 Ca 0.17 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3a13 h ALA 302 Cb 0.10 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a13 h ALA 302 CO -0.14 -0.53 0.06 -0.22 0.00 0.00 0.00 179.25 178.41 3a13 h LYS 303 N -0.09 0.12 -0.47 0.00 3.64 -1.04 -1.38 116.57 117.35 3a13 h LYS 303 Ca 0.13 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3a13 h LYS 303 Cb 0.29 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3a13 h LYS 303 CO -0.31 0.08 0.22 -0.07 -2.27 0.00 0.00 179.45 177.10 3a13 h LEU 304 N 0.13 0.62 -0.68 5.20 3.38 -0.66 -0.89 115.31 122.41 3a13 h LEU 304 Ca 0.05 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3a13 h LEU 304 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3a13 h LEU 304 CO -0.05 0.58 0.04 1.88 0.09 0.00 0.00 178.44 180.99 3a13 h TYR 305 N 0.62 1.15 -0.44 1.13 0.05 -0.57 -0.73 116.97 118.18 3a13 h TYR 305 Ca 0.16 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 58.79 3a13 h TYR 305 Cb 0.13 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 3a13 h TYR 305 CO -0.01 0.99 0.23 -0.09 -1.05 0.00 0.00 178.16 178.24 3a13 h ARG 306 N 0.98 0.45 -0.45 4.88 2.43 -1.10 -0.31 114.38 121.26 3a13 h ARG 306 Ca 0.18 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3a13 h ARG 306 Cb 0.51 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3a13 h ARG 306 CO 0.02 0.30 0.28 -0.07 -1.51 0.00 0.00 179.97 179.00 3a13 h LEU 307 N 0.47 0.53 -0.71 3.80 3.38 -0.59 -2.19 115.31 120.01 3a13 h LEU 307 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3a13 h LEU 307 Cb 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3a13 h LEU 307 CO -0.11 0.41 0.40 0.40 0.09 0.00 0.00 178.44 179.62 3a13 h ILE 308 N 0.60 1.22 0.00 1.22 2.04 -1.00 -1.04 117.51 120.54 3a13 h ILE 308 Ca 0.16 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3a13 h ILE 308 Cb -0.04 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3a13 h ILE 308 CO -0.03 0.23 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3a13 n GLY 309 N -1.10 1.50 3.67 5.37 0.00 -0.22 -4.06 105.19 110.35 3a13 n GLY 309 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.50 3.95 0.13 -0.61 -1.09 -0.63 -4.24 121.20 117.21 3a13 s ILE 310 Ca 0.00 1.18 0.11 0.00 -2.23 0.00 0.00 60.65 59.71 3a13 s ILE 310 Cb 0.00 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 3a13 s ILE 310 CO 0.00 -0.08 1.46 0.44 -1.23 0.00 0.00 174.94 175.52 3a13 h ASP 311 N 8.58 0.00 -3.66 3.58 3.32 -1.73 -3.42 116.42 123.10 3a13 h ASP 311 Ca -0.33 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.47 3a13 h ASP 311 Cb 1.14 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 3a13 h ASP 311 CO 0.95 0.74 -0.72 -1.10 -1.72 0.00 0.00 179.24 177.39 3a13 s GLN 312 N -3.12 -0.01 -0.09 3.56 -0.21 -0.59 0.37 119.66 119.57 3a13 s GLN 312 Ca 0.01 0.06 -0.07 0.00 0.02 0.00 0.00 55.36 55.38 3a13 s GLN 312 Cb 0.11 -0.09 0.03 0.00 1.00 0.00 0.00 33.01 34.06 3a13 s GLN 312 CO 0.78 -0.06 0.23 -1.17 -2.12 0.00 0.00 175.29 172.94 3a13 s LEU 313 N 0.37 0.94 0.18 2.90 2.96 -0.28 0.65 118.68 126.40 3a13 s LEU 313 Ca -0.03 0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 3a13 s LEU 313 Cb -0.05 0.74 -0.08 0.00 0.50 0.00 0.00 46.19 47.30 3a13 s LEU 313 CO -0.01 -0.10 1.29 -1.00 -1.32 0.00 0.00 176.35 175.21 3a13 s HIS 314 N 0.46 3.30 0.00 5.38 3.76 -1.16 1.00 115.29 128.03 3a13 s HIS 314 Ca -0.03 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 3a13 s HIS 314 Cb -0.04 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.08 3a13 s HIS 314 CO -0.02 -1.77 0.16 1.33 -0.85 0.00 0.00 174.74 173.59 3a13 n VAL 315 N 2.81 0.00 0.00 -0.90 0.24 -0.16 -4.81 118.33 115.51 3a13 n VAL 315 Ca 0.06 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3a13 n VAL 315 Cb 0.43 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.48 0.93 1.47 7.63 0.00 -1.25 -4.60 105.19 109.85 3a13 n GLY 316 Ca 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 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 0.23 2.24 -4.29 2.61 -2.24 -1.26 -4.23 114.28 107.34 3a13 n THR 317 Ca 0.00 -3.64 -0.31 0.00 -2.27 0.00 0.00 64.05 57.83 3a13 n THR 317 Cb 0.00 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.82 -2.01 0.00 6.98 0.00 -1.25 -0.85 120.51 122.54 3a13 n ALA 318 Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3a13 n ALA 318 Cb 0.86 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.55 2.96 0.23 0.00 0.00 -0.12 -4.42 105.19 101.30 3a13 n GLY 319 Ca -0.33 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 1.00 -0.80 4.61 0.00 -1.29 -3.48 119.26 119.30 3a13 h ALA 320 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3a13 h ALA 320 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 3a13 h ALA 320 CO 0.00 0.00 -0.05 0.20 0.00 0.00 0.00 179.25 179.40 3a13 s GLY 321 N -4.09 1.71 0.21 0.00 0.00 -1.26 -4.44 107.32 99.46 3a13 s GLY 321 Ca 0.04 -2.14 0.26 0.00 0.00 0.00 0.00 44.72 42.88 3a13 s GLY 321 CO 0.58 -1.63 1.77 0.58 0.00 0.00 0.00 173.10 174.40 3a13 n LYS 322 N -2.39 0.25 -4.37 2.90 2.85 -1.04 -4.75 118.16 111.61 3a13 n LYS 322 Ca 0.17 0.24 -0.31 0.00 -1.05 0.00 0.00 58.31 57.35 3a13 n LYS 322 Cb 0.62 -1.81 -0.10 0.00 -0.65 0.00 0.00 35.03 33.09 3a13 n LYS 322 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3a13 s LEU 323 N -4.49 3.15 0.25 -5.58 1.43 -1.26 -4.83 118.68 107.35 3a13 s LEU 323 Ca 0.10 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.67 3a13 s LEU 323 Cb 0.12 -1.86 -0.11 0.00 0.03 0.00 0.00 46.19 44.37 3a13 s LEU 323 CO 0.57 0.24 1.64 -0.70 0.23 0.00 0.00 176.35 178.33 3a13 s GLU 324 N -1.73 4.13 0.00 1.70 -6.30 -1.26 -4.85 118.70 110.39 3a13 s GLU 324 Ca 0.19 2.57 0.00 0.00 -2.50 0.00 0.00 54.97 55.23 3a13 s GLU 324 Cb -0.11 -3.05 0.00 0.00 0.00 0.00 0.00 34.13 30.97 3a13 s GLU 324 CO 0.10 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.12 3a13 n GLY 325 N 3.00 0.20 3.86 -1.50 0.00 -1.26 -4.98 105.19 104.50 3a13 n GLY 325 Ca 0.12 0.65 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 1.84 0.11 1.61 0.41 -1.26 -0.94 118.70 120.47 3a13 s GLU 326 Ca 0.00 0.26 -0.24 0.00 -0.41 0.00 0.00 54.97 54.58 3a13 s GLU 326 Cb 0.00 -1.92 -0.09 0.00 -1.78 0.00 0.00 34.13 30.34 3a13 s GLU 326 CO 0.00 -1.71 1.69 -0.09 -0.49 0.00 0.00 175.26 174.66 3a13 h ARG 327 N -1.14 -0.21 -0.36 1.61 2.43 -1.95 -2.40 114.38 112.35 3a13 h ARG 327 Ca -0.47 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 3a13 h ARG 327 Cb 1.32 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3a13 h ARG 327 CO 0.64 -0.14 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.28 3a13 h ASP 328 N -0.22 0.72 -0.21 -3.80 5.19 -1.94 -2.24 116.42 113.92 3a13 h ASP 328 Ca 0.03 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3a13 h ASP 328 Cb 0.26 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3a13 h ASP 328 CO -0.10 0.94 0.11 0.40 -3.12 0.00 0.00 179.24 177.47 3a13 h ILE 329 N 0.62 1.13 -0.71 0.35 2.04 -1.90 -2.06 117.51 116.98 3a13 h ILE 329 Ca 0.08 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3a13 h ILE 329 Cb 0.74 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3a13 h ILE 329 CO 0.06 0.13 0.47 0.74 0.00 0.00 0.00 178.15 179.54 3a13 h THR 330 N 0.22 1.16 -0.71 -0.27 2.02 -1.25 -0.67 112.91 113.41 3a13 h THR 330 Ca 0.07 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.94 3a13 h THR 330 Cb 0.11 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 3a13 h THR 330 CO -0.01 0.17 0.46 0.40 0.37 0.00 0.00 175.52 176.91 3a13 h ILE 331 N 0.95 1.16 -0.39 3.11 2.04 -1.27 -0.58 117.51 122.52 3a13 h ILE 331 Ca 0.27 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 3a13 h ILE 331 Cb -0.08 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3a13 h ILE 331 CO -0.07 0.17 -0.09 1.56 0.00 0.00 0.00 178.15 179.72 3a13 h GLN 332 N 0.93 0.75 -0.46 2.37 1.08 -0.97 0.96 115.11 119.77 3a13 h GLN 332 Ca 0.27 -0.28 0.09 0.00 -1.45 0.00 0.00 58.65 57.27 3a13 h GLN 332 Cb -0.07 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.22 3a13 h GLN 332 CO -0.07 0.89 -0.12 -0.91 -0.95 0.00 0.00 178.83 177.66 3a13 h ASN 333 N 0.57 -0.45 -0.49 1.46 2.35 -0.82 -1.37 115.58 116.82 3a13 h ASN 333 Ca 0.10 0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3a13 h ASN 333 Cb 0.60 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 3a13 h ASN 333 CO 0.04 -0.16 0.04 0.00 -1.65 0.00 0.00 177.43 175.70 3a13 h ALA 334 N 1.44 0.65 -0.51 -0.83 0.00 -0.73 -2.82 119.26 116.46 3a13 h ALA 334 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a13 h ALA 334 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3a13 h ALA 334 CO -0.48 0.42 0.31 0.00 0.00 0.00 0.00 179.25 179.50 3a13 h ARG 335 N 0.70 0.70 0.00 0.00 3.08 -0.50 -2.70 114.38 115.65 3a13 h ARG 335 Ca 0.14 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3a13 h ARG 335 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3a13 h ARG 335 CO 0.02 0.50 -0.14 0.97 -1.07 0.00 0.00 179.97 180.25 3a13 h ILE 336 N 0.69 0.46 0.00 2.04 6.09 -1.13 -0.61 117.51 125.06 3a13 h ILE 336 Ca 0.18 -0.72 -0.17 0.00 -1.37 0.00 0.00 64.86 62.78 3a13 h ILE 336 Cb -0.02 1.50 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 3a13 h ILE 336 CO -0.04 0.13 -0.82 -0.07 -3.07 0.00 0.00 178.15 174.29 3a13 h LEU 337 N 0.00 0.00 0.00 2.19 3.38 -1.23 -3.41 115.31 116.24 3a13 h LEU 337 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3a13 h LEU 337 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3a13 h LEU 337 CO 0.02 0.82 -2.02 0.54 0.09 0.00 0.00 178.44 177.89 3a13 n ARG 338 N -3.47 0.54 -2.39 1.13 1.74 -0.85 -0.55 116.66 112.82 3a13 n ARG 338 Ca -0.00 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.80 3a13 n ARG 338 Cb 0.81 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 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 -2.36 4.07 0.08 5.56 2.02 -0.29 -4.48 118.70 123.30 3a13 s GLU 339 Ca -0.23 1.71 0.10 0.00 0.02 0.00 0.00 54.97 56.56 3a13 s GLU 339 Cb 0.06 -2.60 -0.20 0.00 0.10 0.00 0.00 34.13 31.49 3a13 s GLU 339 CO 0.43 -0.27 1.09 1.03 0.02 0.00 0.00 175.26 177.56 3a13 h SER 340 N 2.54 0.00 -2.59 -0.19 0.87 -1.91 -3.42 113.55 108.85 3a13 h SER 340 Ca -0.49 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.53 3a13 h SER 340 Cb 1.23 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.80 3a13 h SER 340 CO 0.62 0.95 -0.82 -2.28 -0.53 0.00 0.00 176.83 174.78 3a13 s HIS 341 N -2.70 0.51 -0.00 2.24 5.65 -1.26 -1.06 115.29 118.66 3a13 s HIS 341 Ca -0.01 -1.33 -0.30 0.00 0.25 0.00 0.00 55.06 53.67 3a13 s HIS 341 Cb 0.09 -0.86 -0.04 0.00 -1.18 0.00 0.00 32.58 30.59 3a13 s HIS 341 CO 0.82 -0.84 1.12 -0.47 -0.65 0.00 0.00 174.74 174.72 3a13 s TYR 342 N 1.41 3.44 -0.17 3.88 5.04 0.65 -4.91 117.35 126.69 3a13 s TYR 342 Ca 0.15 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 3a13 s TYR 342 Cb -0.20 -3.32 0.04 0.00 0.35 0.00 0.00 41.96 38.83 3a13 s TYR 342 CO -0.10 -0.85 -0.08 0.15 -1.34 0.00 0.00 175.55 173.33 3a13 s LYS 343 N 1.45 1.72 0.42 4.97 1.02 -1.26 -0.66 119.74 127.40 3a13 s LYS 343 Ca 0.55 -0.60 -0.25 0.00 0.02 0.00 0.00 55.97 55.69 3a13 s LYS 343 Cb -0.25 -2.11 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 3a13 s LYS 343 CO 0.26 -0.40 1.31 -1.25 -0.92 0.00 0.00 175.35 174.35 3a13 s PRO 344 N 1.55 3.87 0.70 -1.68 0.04 -1.26 -4.96 135.00 133.25 3a13 s PRO 344 Ca 0.01 2.17 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 3a13 s PRO 344 Cb -0.15 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 3a13 s PRO 344 CO -0.08 -0.58 0.48 -0.25 0.04 0.00 0.00 177.00 176.60 3a13 n ASP 345 N -0.03 -1.36 0.29 6.66 8.00 -1.26 -4.85 116.55 124.00 3a13 n ASP 345 Ca 0.04 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.30 3a13 n ASP 345 Cb 0.44 -1.19 0.86 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.28 0.00 -0.68 -1.24 9.09 -2.02 -1.60 114.58 117.85 3a13 h GLU 346 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 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 0.43 0.04 0.00 0.09 0.05 0.00 0.00 179.01 179.61 3a13 n ASN 347 N -3.78 3.78 -4.53 3.06 3.02 -1.26 -4.88 115.26 110.68 3a13 n ASN 347 Ca -0.03 -2.06 -0.43 0.00 -0.03 0.00 0.00 54.58 52.04 3a13 n ASN 347 Cb 0.13 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3a13 n ASN 347 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a13 s ASP 348 N -0.98 6.37 0.00 6.41 -1.08 -0.60 -4.91 116.67 121.88 3a13 s ASP 348 Ca 0.46 -0.28 0.27 0.00 -0.52 0.00 0.00 52.55 52.49 3a13 s ASP 348 Cb 0.25 -2.41 0.94 0.00 -1.46 0.00 0.00 42.92 40.24 3a13 s ASP 348 CO 0.30 -1.07 1.68 1.33 0.52 0.00 0.00 175.17 177.93 3a13 n VAL 349 N 6.15 0.00 -0.10 1.11 0.24 -1.26 -4.27 118.33 120.19 3a13 n VAL 349 Ca 0.02 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 3a13 n VAL 349 Cb 0.48 0.57 -0.15 0.00 -1.47 0.00 0.00 33.84 33.27 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 0.16 0.00 -4.58 6.34 3.72 -1.26 -4.98 117.46 116.86 3a13 n PHE 350 Ca 0.18 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.28 3a13 n PHE 350 Cb 0.37 -0.96 -0.13 0.00 -0.94 0.00 0.00 39.48 37.83 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 -2.47 2.43 0.22 1.38 3.76 -1.26 -4.17 115.29 115.17 3a13 s HIS 351 Ca -0.13 -0.33 0.07 0.00 -0.15 0.00 0.00 55.06 54.52 3a13 s HIS 351 Cb 0.06 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 3a13 s HIS 351 CO 0.76 0.27 0.12 -0.51 -0.85 0.00 0.00 174.74 174.53 3a13 s LEU 352 N -1.69 3.63 0.34 0.89 1.02 -1.26 -4.72 118.68 116.89 3a13 s LEU 352 Ca 0.14 -0.30 -0.29 0.00 0.02 0.00 0.00 54.13 53.71 3a13 s LEU 352 Cb -0.10 -2.21 -0.11 0.00 0.02 0.00 0.00 46.19 43.79 3a13 s LEU 352 CO 0.06 0.02 1.54 -0.70 0.02 0.00 0.00 176.35 177.29 3a13 s GLU 353 N -3.45 4.10 -0.16 1.70 2.12 -1.26 -4.67 118.70 117.08 3a13 s GLU 353 Ca 0.31 2.60 -0.05 0.00 0.36 0.00 0.00 54.97 58.19 3a13 s GLU 353 Cb -0.09 -2.98 0.08 0.00 0.26 0.00 0.00 34.13 31.40 3a13 s GLU 353 CO 0.23 -0.60 0.29 -1.14 -0.54 0.00 0.00 175.26 173.50 3a13 s GLN 354 N -1.44 0.20 0.15 4.30 2.00 0.17 -4.96 119.66 120.07 3a13 s GLN 354 Ca 0.57 0.68 -0.21 0.00 -2.00 0.00 0.00 55.36 54.41 3a13 s GLN 354 Cb -0.47 -0.22 -0.08 0.00 0.80 0.00 0.00 33.01 33.04 3a13 s GLN 354 CO 0.57 -0.38 0.67 0.15 -0.50 0.00 0.00 175.29 175.81 3a13 s LYS 355 N 2.45 4.30 0.00 1.67 1.02 -1.26 -0.25 119.74 127.66 3a13 s LYS 355 Ca 0.03 0.87 0.11 0.00 0.02 0.00 0.00 55.97 57.00 3a13 s LYS 355 Cb -0.13 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 3a13 s LYS 355 CO -0.10 0.53 0.69 1.19 -0.92 0.00 0.00 175.35 176.74 3a13 n PHE 356 N 1.31 0.00 0.00 3.18 3.72 -0.22 -4.94 117.46 120.50 3a13 n PHE 356 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 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 -0.12 0.00 0.19 1.38 4.01 -1.26 -1.07 117.16 120.28 3a13 n TYR 357 Ca 0.05 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.87 3a13 n TYR 357 Cb 0.23 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.37 3a13 n TYR 357 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3a13 h SER 358 N 0.00 0.00 -1.50 7.72 0.02 -1.97 -3.46 113.55 114.36 3a13 h SER 358 Ca 0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 3a13 h SER 358 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3a13 h SER 358 CO 0.00 0.22 1.00 -0.38 -1.14 0.00 0.00 176.83 176.53 3a13 n ILE 359 N -3.16 0.32 -1.34 3.27 2.08 -0.24 -4.91 119.36 115.38 3a13 n ILE 359 Ca 0.03 -0.08 -0.31 0.00 0.56 0.00 0.00 62.75 62.95 3a13 n ILE 359 Cb 0.62 -1.32 0.08 0.00 -0.75 0.00 0.00 39.64 38.27 3a13 n ILE 359 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3a13 s LYS 360 N 3.99 2.40 0.27 0.38 1.02 -1.26 -4.93 119.74 121.61 3a13 s LYS 360 Ca 1.00 1.15 -0.29 0.00 0.02 0.00 0.00 55.97 57.84 3a13 s LYS 360 Cb -1.02 -1.92 -0.10 0.00 -0.52 0.00 0.00 37.83 34.28 3a13 s LYS 360 CO 0.63 -1.53 1.31 0.00 -0.92 0.00 0.00 175.35 174.84 3a13 s ALA 361 N -2.88 3.52 0.05 5.17 0.00 -1.26 -4.50 121.76 121.85 3a13 s ALA 361 Ca 0.61 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.76 3a13 s ALA 361 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3a13 s ALA 361 CO 0.55 -0.58 0.20 0.00 0.00 0.00 0.00 175.76 175.93 3a13 s ALA 362 N -0.51 3.97 -0.45 0.00 0.00 0.29 -1.18 121.76 123.87 3a13 s ALA 362 Ca 0.53 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 3a13 s ALA 362 Cb -0.38 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 20.96 3a13 s ALA 362 CO 0.45 0.82 1.13 -0.06 0.00 0.00 0.00 175.76 178.09 3a13 s PHE 363 N -1.48 2.87 0.23 0.00 0.08 0.16 -4.26 117.98 115.58 3a13 s PHE 363 Ca 0.34 0.79 -0.30 0.00 0.12 0.00 0.00 56.93 57.88 3a13 s PHE 363 Cb -0.13 -4.32 -0.09 0.00 -0.57 0.00 0.00 43.02 37.91 3a13 s PHE 363 CO 0.27 -1.19 1.37 -2.14 -0.10 0.00 0.00 175.22 173.42 3a13 s PRO 364 N 4.33 4.33 -0.22 0.24 0.02 -1.26 -1.13 135.00 141.32 3a13 s PRO 364 Ca 0.48 2.18 -0.03 0.00 0.02 0.00 0.00 61.00 63.64 3a13 s PRO 364 Cb -0.08 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 3a13 s PRO 364 CO 0.29 -0.32 -0.06 0.99 -0.33 0.00 0.00 177.00 177.57 3a13 s THR 365 N -0.03 3.25 -0.23 0.99 2.01 0.28 -0.62 115.64 121.28 3a13 s THR 365 Ca 0.57 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 3a13 s THR 365 Cb -0.39 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3a13 s THR 365 CO 0.41 0.43 0.10 -0.55 -0.69 0.00 0.00 174.62 174.33 3a13 s SER 366 N 1.45 5.57 0.04 3.53 0.15 0.41 -0.99 113.70 123.86 3a13 s SER 366 Ca 0.06 -0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.43 3a13 s SER 366 Cb -0.14 -1.99 0.06 0.00 -1.71 0.00 0.00 66.02 62.23 3a13 s SER 366 CO -0.04 0.04 0.55 -0.55 1.20 0.00 0.00 173.24 174.44 3a13 s SER 367 N 1.19 -0.49 0.00 5.45 0.15 -1.26 -2.10 113.70 116.64 3a13 s SER 367 Ca 0.05 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.95 3a13 s SER 367 Cb -0.14 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3a13 s SER 367 CO 0.04 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.37 3a13 n GLY 368 N 0.41 2.45 2.75 9.45 0.00 -1.26 -4.49 105.19 114.50 3a13 n GLY 368 Ca -0.18 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 0.06 -0.50 3.86 -0.02 0.00 -1.26 -2.49 105.19 104.84 3a13 n GLY 369 Ca 0.00 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.03 4.02 0.32 0.99 1.43 -1.26 -4.55 118.68 113.59 3a13 s LEU 370 Ca 0.14 1.23 -0.09 0.00 -1.03 0.00 0.00 54.13 54.38 3a13 s LEU 370 Cb -0.07 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.11 3a13 s LEU 370 CO 0.17 -0.24 0.54 -1.38 0.23 0.00 0.00 176.35 175.67 3a13 s HIS 371 N -2.06 0.63 0.44 0.29 -3.43 -1.26 -3.61 115.29 106.29 3a13 s HIS 371 Ca 0.53 -0.99 0.40 0.00 -0.80 0.00 0.00 55.06 54.20 3a13 s HIS 371 Cb -0.10 0.20 2.06 0.00 -1.43 0.00 0.00 32.58 33.30 3a13 s HIS 371 CO 0.21 -1.18 2.22 -1.35 -2.00 0.00 0.00 174.74 172.64 3a13 h PRO 372 N 2.14 0.00 -0.04 -0.38 0.11 -1.93 -1.89 132.00 130.01 3a13 h PRO 372 Ca -0.28 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 3a13 h PRO 372 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3a13 h PRO 372 CO 0.38 0.00 -0.65 0.78 -0.21 0.00 0.00 178.00 178.30 3a13 h GLY 373 N 0.59 0.17 -0.05 -0.55 0.00 -1.94 -3.37 103.07 97.92 3a13 h GLY 373 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3a13 h GLY 373 CO 0.00 0.20 0.00 1.16 0.00 0.00 0.00 176.54 177.90 3a13 n ASN 374 N -3.81 2.36 -0.04 0.19 6.94 -0.72 -4.54 115.26 115.64 3a13 n ASN 374 Ca -0.02 -2.97 0.12 0.00 -0.02 0.00 0.00 54.58 51.69 3a13 n ASN 374 Cb 0.65 -0.39 0.21 0.00 -2.36 0.00 0.00 39.78 37.89 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 -1.30 0.00 -0.03 1.53 -5.35 -1.17 -4.32 119.36 108.71 3a13 n ILE 375 Ca 0.14 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.49 3a13 n ILE 375 Cb 0.60 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.82 3a13 n ILE 375 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3a13 h GLN 376 N 0.18 0.19 -0.36 6.28 1.08 -1.84 -2.37 115.11 118.27 3a13 h GLN 376 Ca 0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3a13 h GLN 376 Cb 0.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3a13 h GLN 376 CO 0.00 0.38 0.18 -1.00 -0.95 0.00 0.00 178.83 177.44 3a13 h PRO 377 N -0.03 0.50 -0.37 1.46 0.13 -1.93 -1.93 132.00 129.82 3a13 h PRO 377 Ca 0.04 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3a13 h PRO 377 Cb 0.28 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.29 3a13 h PRO 377 CO 0.00 0.38 0.14 0.28 -0.23 0.00 0.00 178.00 178.58 3a13 h VAL 378 N 0.50 1.19 0.00 1.56 2.07 -1.71 -1.72 116.25 118.15 3a13 h VAL 378 Ca 0.13 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 3a13 h VAL 378 Cb 0.04 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3a13 h VAL 378 CO -0.02 0.21 -0.43 0.40 0.02 0.00 0.00 177.57 177.75 3a13 h ILE 379 N 0.46 0.93 -0.12 4.57 2.04 -1.23 -0.94 117.51 123.22 3a13 h ILE 379 Ca 0.12 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 3a13 h ILE 379 Cb 0.20 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3a13 h ILE 379 CO -0.01 0.42 -0.05 -0.33 0.00 0.00 0.00 178.15 178.18 3a13 h GLU 380 N 0.00 0.24 -0.15 2.37 4.39 -1.16 0.12 114.58 120.39 3a13 h GLU 380 Ca -0.00 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3a13 h GLU 380 Cb 1.04 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3a13 h GLU 380 CO 0.06 0.57 -0.10 0.00 -1.16 0.00 0.00 179.01 178.37 3a13 h ALA 381 N 0.66 0.22 0.00 3.43 0.00 -1.26 -3.36 119.26 118.94 3a13 h ALA 381 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a13 h ALA 381 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3a13 h ALA 381 CO 0.02 0.05 -1.49 1.28 0.00 0.00 0.00 179.25 179.11 3a13 n LEU 382 N -4.60 0.41 0.00 0.00 4.32 -0.36 -4.91 117.00 111.86 3a13 n LEU 382 Ca -0.06 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 3a13 n LEU 382 Cb 0.33 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 3a13 n LEU 382 CO 0.38 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 3a13 n GLY 383 N 1.32 -1.97 0.04 -0.72 0.00 0.42 -4.63 105.19 99.65 3a13 n GLY 383 Ca -0.01 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 0.17 -1.68 2.61 -2.24 -1.26 -4.50 114.28 107.38 3a13 n THR 384 Ca 0.00 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3a13 n THR 384 Cb 0.00 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.08 5.93 -4.18 3.42 9.92 -1.26 -2.87 116.55 125.43 3a13 n ASP 385 Ca 0.00 -2.80 -0.14 0.00 -0.53 0.00 0.00 54.79 51.32 3a13 n ASP 385 Cb 0.47 -1.58 -0.10 0.00 -0.64 0.00 0.00 41.12 39.27 3a13 n ASP 385 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3a13 s ILE 386 N 2.23 0.16 -0.17 0.53 -4.36 -1.26 -4.41 121.20 113.92 3a13 s ILE 386 Ca 0.54 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 3a13 s ILE 386 Cb 0.15 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 3a13 s ILE 386 CO -0.07 0.00 -0.06 -0.69 0.24 0.00 0.00 174.94 174.36 3a13 s VAL 387 N -3.99 3.53 -0.10 8.37 1.01 0.21 -2.18 120.40 127.24 3a13 s VAL 387 Ca 0.39 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3a13 s VAL 387 Cb 0.07 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3a13 s VAL 387 CO 0.13 0.48 0.14 -0.76 0.00 0.00 0.00 175.10 175.09 3a13 s LEU 388 N 0.71 4.37 -0.07 3.92 1.43 0.37 -0.45 118.68 128.96 3a13 s LEU 388 Ca -0.03 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3a13 s LEU 388 Cb -0.15 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3a13 s LEU 388 CO 0.02 0.39 -0.18 -1.58 0.23 0.00 0.00 176.35 175.23 3a13 s GLN 389 N -1.14 2.22 -0.33 1.70 -0.44 -0.89 -1.90 119.66 118.87 3a13 s GLN 389 Ca 0.17 -0.63 -0.01 0.00 -2.50 0.00 0.00 55.36 52.39 3a13 s GLN 389 Cb -0.12 -1.77 0.12 0.00 -1.64 0.00 0.00 33.01 29.59 3a13 s GLN 389 CO 0.06 0.13 0.16 -0.51 0.50 0.00 0.00 175.29 175.62 3a13 s LEU 390 N 0.42 1.39 0.00 3.68 1.02 -0.78 -4.38 118.68 120.04 3a13 s LEU 390 Ca -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 54.13 52.21 3a13 s LEU 390 Cb -0.16 -0.59 0.00 0.00 0.02 0.00 0.00 46.19 45.46 3a13 s LEU 390 CO 0.05 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 176.66 3a13 n GLY 391 N 4.59 1.94 0.30 -3.19 0.00 -1.26 -3.48 105.19 104.08 3a13 n GLY 391 Ca 0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.32 3a13 n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 392 N 4.43 -0.63 0.00 -0.02 0.00 -1.26 0.13 105.19 107.85 3a13 n GLY 392 Ca 0.00 0.64 0.06 0.00 0.00 0.00 0.00 46.02 46.72 3a13 n GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 393 N -1.27 -1.00 0.78 -0.02 0.00 -1.24 -0.39 105.19 102.06 3a13 n GLY 393 Ca 0.31 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.69 0.53 -0.69 2.61 -1.04 0.36 -4.30 114.28 111.05 3a13 n THR 394 Ca 0.09 -0.03 0.08 0.00 -2.04 0.00 0.00 64.05 62.15 3a13 n THR 394 Cb 0.04 -1.63 0.38 0.00 -1.82 0.00 0.00 70.33 67.30 3a13 n THR 394 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a13 n LEU 395 N -3.38 5.12 -0.79 -4.42 -0.00 -0.88 -3.27 117.00 109.39 3a13 n LEU 395 Ca -0.12 -2.59 0.10 0.00 -0.00 0.00 0.00 56.01 53.39 3a13 n LEU 395 Cb 0.53 -0.62 0.08 0.00 -0.00 0.00 0.00 43.42 43.41 3a13 n LEU 395 CO 0.01 0.73 0.56 0.61 -0.00 0.00 0.00 177.39 179.30 3a13 n GLY 396 N 0.93 0.55 3.65 1.47 0.00 0.48 -4.54 105.19 107.72 3a13 n GLY 396 Ca 0.26 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3a13 n GLY 396 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a13 n HIS 397 N 1.10 1.74 0.05 1.61 -0.00 -1.20 -4.92 115.22 113.61 3a13 n HIS 397 Ca 0.11 0.60 -0.11 0.00 -0.00 0.00 0.00 57.72 58.32 3a13 n HIS 397 Cb 0.49 -2.32 -0.05 0.00 -0.00 0.00 0.00 29.99 28.11 3a13 n HIS 397 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3a13 h PRO 398 N 2.14 -0.19 -0.35 1.57 0.11 -1.94 -1.10 132.00 132.24 3a13 h PRO 398 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3a13 h PRO 398 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3a13 h PRO 398 CO 0.61 -0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 3a13 n ASP 399 N -5.24 0.35 0.00 -2.05 8.00 -1.26 -4.97 116.55 111.38 3a13 n ASP 399 Ca -0.05 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.94 3a13 n ASP 399 Cb 0.16 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3a13 n ASP 399 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a13 n GLY 400 N 0.19 -1.08 0.31 0.44 0.00 -0.42 -4.42 105.19 100.22 3a13 n GLY 400 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 3a13 n GLY 400 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a13 h PRO 401 N 0.00 -0.32 -0.90 1.61 0.11 -1.80 -1.82 132.00 128.88 3a13 h PRO 401 Ca 0.00 0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.26 3a13 h PRO 401 Cb 0.00 0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.09 3a13 h PRO 401 CO 0.00 -0.21 0.52 0.00 -0.21 0.00 0.00 178.00 178.10 3a13 h ALA 402 N 0.59 1.36 -0.07 -0.75 0.00 -1.87 0.82 119.26 119.35 3a13 h ALA 402 Ca 0.11 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3a13 h ALA 402 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a13 h ALA 402 CO -0.37 0.04 -0.69 0.00 0.00 0.00 0.00 179.25 178.24 3a13 h ALA 403 N 1.54 0.69 -0.46 0.00 0.00 -1.69 -2.84 119.26 116.49 3a13 h ALA 403 Ca 0.47 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3a13 h ALA 403 Cb 0.57 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3a13 h ALA 403 CO -0.31 0.76 0.20 0.78 0.00 0.00 0.00 179.25 180.68 3a13 h GLY 404 N 1.42 0.63 1.00 0.00 0.00 -0.05 0.18 103.07 106.24 3a13 h GLY 404 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3a13 h GLY 404 CO 0.11 0.06 0.02 0.00 0.00 0.00 0.00 176.54 176.74 3a13 h ALA 405 N 1.28 0.05 -0.80 3.60 0.00 -1.09 -1.04 119.26 121.25 3a13 h ALA 405 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3a13 h ALA 405 Cb 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3a13 h ALA 405 CO -0.18 -0.46 0.53 0.00 0.00 0.00 0.00 179.25 179.14 3a13 h ARG 406 N 0.04 0.98 -0.62 0.00 3.08 -1.24 -1.33 114.38 115.30 3a13 h ARG 406 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3a13 h ARG 406 Cb -0.00 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3a13 h ARG 406 CO -0.00 0.65 0.33 0.00 -1.07 0.00 0.00 179.97 179.88 3a13 h ALA 407 N 1.52 0.79 -0.31 0.04 0.00 -0.13 0.27 119.26 121.44 3a13 h ALA 407 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3a13 h ALA 407 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3a13 h ALA 407 CO -0.09 0.32 0.07 0.28 0.00 0.00 0.00 179.25 179.83 3a13 h VAL 408 N 0.84 1.22 -0.20 0.00 2.07 -0.62 0.60 116.25 120.17 3a13 h VAL 408 Ca 0.22 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3a13 h VAL 408 Cb 0.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3a13 h VAL 408 CO -0.03 0.25 -0.18 0.03 0.02 0.00 0.00 177.57 177.66 3a13 h ARG 409 N 0.34 0.34 0.63 1.57 2.47 -1.09 0.22 114.38 118.85 3a13 h ARG 409 Ca 0.10 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3a13 h ARG 409 Cb 0.31 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3a13 h ARG 409 CO 0.00 0.51 -0.30 1.96 0.56 0.00 0.00 179.97 182.70 3a13 h GLN 410 N 0.31 -0.82 -0.99 0.04 4.20 -0.09 -0.00 115.11 117.76 3a13 h GLN 410 Ca 0.06 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.03 3a13 h GLN 410 Cb 0.50 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 28.37 3a13 h GLN 410 CO 0.03 -0.51 0.62 0.00 -0.67 0.00 0.00 178.83 178.31 3a13 h ALA 411 N -0.70 1.88 -0.22 3.87 0.00 0.66 0.24 119.26 125.00 3a13 h ALA 411 Ca -0.09 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3a13 h ALA 411 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3a13 h ALA 411 CO 0.14 -0.25 -0.45 0.82 0.00 0.00 0.00 179.25 179.52 3a13 h ILE 412 N 0.62 1.31 -0.48 0.00 2.04 -0.44 -2.35 117.51 118.21 3a13 h ILE 412 Ca 0.57 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.79 3a13 h ILE 412 Cb 1.08 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3a13 h ILE 412 CO -0.34 0.52 0.27 0.44 0.00 0.00 0.00 178.15 179.04 3a13 h ASP 413 N 0.39 0.41 -0.24 1.72 3.32 0.73 0.11 116.42 122.86 3a13 h ASP 413 Ca 0.01 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3a13 h ASP 413 Cb 1.05 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 3a13 h ASP 413 CO 0.10 0.29 0.01 0.00 -1.72 0.00 0.00 179.24 177.92 3a13 h ALA 414 N 1.23 0.22 -0.70 3.45 0.00 -1.04 -0.14 119.26 122.29 3a13 h ALA 414 Ca 0.20 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3a13 h ALA 414 Cb 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3a13 h ALA 414 CO -0.11 -0.41 0.26 0.82 0.00 0.00 0.00 179.25 179.81 3a13 h ILE 415 N 0.09 1.25 -0.54 0.00 2.04 -0.90 0.19 117.51 119.63 3a13 h ILE 415 Ca 0.11 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3a13 h ILE 415 Cb 0.14 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3a13 h ILE 415 CO -0.18 0.32 0.21 0.24 0.00 0.00 0.00 178.15 178.74 3a13 h MET 416 N 1.01 0.79 -0.01 2.37 2.86 -0.59 -2.71 114.93 118.66 3a13 h MET 416 Ca 0.23 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3a13 h MET 416 Cb 0.24 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3a13 h MET 416 CO -0.01 0.66 -0.14 1.04 1.06 0.00 0.00 176.91 179.51 3a13 n GLN 417 N -4.33 0.89 -3.42 1.72 6.02 -0.08 -4.95 117.38 113.23 3a13 n GLN 417 Ca 0.04 -0.41 -0.20 0.00 -0.01 0.00 0.00 57.00 56.42 3a13 n GLN 417 Cb 0.17 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.00 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 1.27 -0.31 3.23 1.08 0.00 0.50 -5.01 105.19 105.95 3a13 n GLY 418 Ca 0.15 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3a13 n GLY 418 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 419 N -3.27 3.31 0.21 -0.61 1.09 -0.24 -5.03 121.20 116.66 3a13 s ILE 419 Ca 0.48 -1.17 -0.23 0.00 -1.10 0.00 0.00 60.65 58.63 3a13 s ILE 419 Cb -0.21 -2.83 -0.15 0.00 -1.06 0.00 0.00 42.46 38.21 3a13 s ILE 419 CO 0.62 -0.05 0.37 -2.65 -0.10 0.00 0.00 174.94 173.12 3a13 n PRO 420 N 4.71 0.00 0.27 2.79 -0.02 -1.26 -4.49 135.00 137.00 3a13 n PRO 420 Ca -0.14 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.45 3a13 n PRO 420 Cb 0.45 -0.87 0.73 0.00 -0.02 0.00 0.00 33.50 33.79 3a13 n PRO 420 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a13 h LEU 421 N 0.73 0.00 -0.35 2.45 4.07 -1.95 -1.37 115.31 118.89 3a13 h LEU 421 Ca -0.26 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.56 3a13 h LEU 421 Cb 1.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 3a13 h LEU 421 CO 0.48 0.02 -0.34 0.44 -1.08 0.00 0.00 178.44 177.95 3a13 h ASP 422 N 0.00 0.90 0.00 -0.43 3.32 -2.00 -2.80 116.42 115.41 3a13 h ASP 422 Ca -0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3a13 h ASP 422 Cb 0.03 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3a13 h ASP 422 CO 0.00 1.18 0.00 1.21 -1.72 0.00 0.00 179.24 179.92 3a13 n GLU 423 N -4.15 0.00 -0.40 3.56 2.13 -0.59 -3.57 120.64 117.62 3a13 n GLU 423 Ca -0.03 0.28 0.34 0.00 0.66 0.00 0.00 57.16 58.41 3a13 n GLU 423 Cb 0.51 -1.18 0.57 0.00 0.27 0.00 0.00 31.44 31.61 3a13 n GLU 423 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3a13 n TYR 424 N -1.33 0.59 0.21 4.31 9.36 -0.74 -1.08 117.16 128.47 3a13 n TYR 424 Ca 0.00 0.59 0.07 0.00 3.32 0.00 0.00 57.90 61.88 3a13 n TYR 424 Cb 0.00 -1.01 0.44 0.00 -0.63 0.00 0.00 39.34 38.15 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 1.33 1.16 -0.68 2.98 0.00 -1.55 -2.54 119.26 119.97 3a13 h ALA 425 Ca 0.74 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.52 3a13 h ALA 425 Cb 2.40 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 3a13 h ALA 425 CO -0.39 0.38 0.46 1.57 0.00 0.00 0.00 179.25 181.27 3a13 h LYS 426 N 0.00 0.27 -0.43 0.00 2.10 -1.21 -1.91 116.57 115.40 3a13 h LYS 426 Ca -0.00 -0.02 -0.19 0.00 -2.00 0.00 0.00 60.65 58.44 3a13 h LYS 426 Cb 0.69 -0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 31.85 3a13 h LYS 426 CO 0.04 0.18 0.04 0.25 -2.00 0.00 0.00 179.45 177.96 3a13 n THR 427 N -4.44 2.59 -3.23 0.07 -2.24 -0.96 -4.79 114.28 101.28 3a13 n THR 427 Ca 0.13 -2.43 -0.02 0.00 -2.27 0.00 0.00 64.05 59.46 3a13 n THR 427 Cb 0.55 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3a13 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a13 s HIS 428 N -3.16 -1.48 0.27 4.78 4.02 -0.72 -5.05 115.29 113.94 3a13 s HIS 428 Ca 0.46 0.28 -0.02 0.00 1.02 0.00 0.00 55.06 56.81 3a13 s HIS 428 Cb 0.40 0.17 0.45 0.00 -1.02 0.00 0.00 32.58 32.58 3a13 s HIS 428 CO 0.03 -1.11 1.86 1.57 1.02 0.00 0.00 174.74 178.11 3a13 h LYS 429 N 7.34 1.03 -0.46 1.40 -0.00 -1.87 -2.46 116.57 121.55 3a13 h LYS 429 Ca 0.02 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.65 60.50 3a13 h LYS 429 Cb 1.16 -0.23 -0.02 0.00 -0.00 0.00 0.00 32.23 33.14 3a13 h LYS 429 CO 0.14 0.68 -0.17 0.93 -0.00 0.00 0.00 179.45 181.03 3a13 h GLU 430 N 1.06 0.88 -0.33 0.07 3.07 -1.91 -1.68 114.58 115.74 3a13 h GLU 430 Ca 0.45 -0.34 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3a13 h GLU 430 Cb 0.30 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3a13 h GLU 430 CO -0.21 0.98 0.20 1.25 -1.40 0.00 0.00 179.01 179.82 3a13 h LEU 431 N 0.78 0.40 -0.73 1.33 5.85 -1.72 -2.90 115.31 118.31 3a13 h LEU 431 Ca 0.12 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3a13 h LEU 431 Cb 0.70 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3a13 h LEU 431 CO 0.05 0.33 -0.25 0.00 -0.34 0.00 0.00 178.44 178.23 3a13 h ALA 432 N 1.08 0.91 0.00 1.25 0.00 -1.34 -1.09 119.26 120.08 3a13 h ALA 432 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3a13 h ALA 432 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a13 h ALA 432 CO -0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3a13 h ARG 433 N 0.60 0.00 0.03 0.00 2.47 -1.20 0.41 114.38 116.69 3a13 h ARG 433 Ca 0.08 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.50 3a13 h ARG 433 Cb 0.74 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 3a13 h ARG 433 CO 0.06 0.00 -1.68 0.00 0.56 0.00 0.00 179.97 178.90 3a13 n ALA 434 N -2.06 0.90 -0.35 0.04 0.00 -1.11 -3.52 120.51 114.40 3a13 n ALA 434 Ca 0.01 -0.63 0.25 0.00 0.00 0.00 0.00 53.44 53.07 3a13 n ALA 434 Cb 0.32 -0.46 0.51 0.00 0.00 0.00 0.00 19.45 19.81 3a13 n ALA 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a13 h LEU 435 N -0.72 0.47 -0.54 0.00 6.46 -1.04 0.43 115.31 120.37 3a13 h LEU 435 Ca -0.43 0.14 -0.12 0.00 -0.12 0.00 0.00 57.88 57.35 3a13 h LEU 435 Cb 1.54 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.54 3a13 h LEU 435 CO -0.17 -0.05 -0.12 -0.08 -0.62 0.00 0.00 178.44 177.40 3a13 h GLU 436 N 0.34 1.04 0.00 1.25 4.81 -0.32 0.81 114.58 122.50 3a13 h GLU 436 Ca 0.70 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 3a13 h GLU 436 Cb 1.74 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 3a13 h GLU 436 CO -0.46 1.09 -0.64 -0.22 -0.73 0.00 0.00 179.01 178.04 3a13 h LYS 437 N 0.92 0.00 0.00 1.92 3.64 -0.28 -3.39 116.57 119.38 3a13 h LYS 437 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3a13 h LYS 437 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3a13 h LYS 437 CO 0.05 0.64 -0.68 0.91 -2.27 0.00 0.00 179.45 178.10 3a13 n TRP 438 N -3.42 0.00 0.00 1.91 8.01 -0.01 -5.10 117.44 118.83 3a13 n TRP 438 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3a13 n TRP 438 Cb 0.73 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.03 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 2.04 3.65 0.65 6.99 0.00 0.28 -2.44 105.19 116.37 3a13 n GLY 439 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 13.73 0.00 -2.48 1.61 8.25 -1.26 -4.00 115.22 131.08 3a13 n HIS 440 Ca 0.00 -1.17 -0.34 0.00 -0.26 0.00 0.00 57.72 55.95 3a13 n HIS 440 Cb 0.00 -0.21 -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 0.14 0.64 0.00 0.00 176.34 177.12 3a13 s VAL 441 N -2.46 3.63 -0.35 1.59 -7.23 -1.02 -4.78 120.40 109.77 3a13 s VAL 441 Ca 0.34 1.04 -0.08 0.00 -1.81 0.00 0.00 61.98 61.47 3a13 s VAL 441 Cb 0.34 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.88 3a13 s VAL 441 CO -0.07 -0.20 0.15 -0.89 -0.31 0.00 0.00 175.10 173.78 3a13 s THR 442 N -1.90 4.11 0.65 5.32 2.01 -1.26 -4.76 115.64 119.80 3a13 s THR 442 Ca 0.68 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 3a13 s THR 442 Cb -0.19 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3a13 s THR 442 CO 0.22 -0.20 1.19 -2.84 -0.69 0.00 0.00 174.62 172.31 3a13 s PRO 443 N 1.47 2.68 0.00 4.92 0.02 -1.26 -4.99 135.00 137.84 3a13 s PRO 443 Ca -0.00 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.76 3a13 s PRO 443 Cb -0.19 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3a13 s PRO 443 CO 0.04 -1.41 0.00 0.28 -0.33 0.00 0.00 177.00 175.58