#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bx5 s PRO 6 N 0.00 1.88 -0.37 -0.14 0.04 -1.26 -5.12 135.00 130.03 3bx5 s PRO 6 Ca 0.00 -2.04 -0.15 0.00 0.04 0.00 0.00 61.00 58.86 3bx5 s PRO 6 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 3bx5 s PRO 6 CO 0.00 -0.00 0.32 -0.08 0.04 0.00 0.00 177.00 177.28 3bx5 s THR 7 N -2.73 5.22 0.91 1.26 -1.32 -1.26 -5.03 115.64 112.70 3bx5 s THR 7 Ca 0.34 -0.30 -0.15 0.00 -1.21 0.00 0.00 61.69 60.37 3bx5 s THR 7 Cb 0.08 -3.86 0.17 0.00 -1.51 0.00 0.00 72.50 67.38 3bx5 s THR 7 CO 0.17 -0.18 1.28 -0.36 -2.21 0.00 0.00 174.62 173.31 3bx5 s PHE 8 N 1.85 1.95 -0.25 9.09 0.40 -1.26 -1.63 117.98 128.13 3bx5 s PHE 8 Ca 0.08 0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 3bx5 s PHE 8 Cb -0.18 -3.93 0.10 0.00 0.51 0.00 0.00 43.02 39.52 3bx5 s PHE 8 CO 0.11 -2.39 0.58 1.52 0.70 0.00 0.00 175.22 175.74 3bx5 s TYR 9 N -3.79 -1.05 0.92 0.36 -0.85 -0.63 -4.74 117.35 107.57 3bx5 s TYR 9 Ca 0.71 1.96 -0.14 0.00 -0.52 0.00 0.00 57.07 59.08 3bx5 s TYR 9 Cb -0.06 0.58 0.15 0.00 0.38 0.00 0.00 41.96 43.02 3bx5 s TYR 9 CO 0.52 -0.54 1.23 0.50 -1.52 0.00 0.00 175.55 175.73 3bx5 s ARG 10 N 2.27 1.07 0.00 -3.49 3.52 -1.26 -2.92 118.95 118.13 3bx5 s ARG 10 Ca -0.07 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 3bx5 s ARG 10 Cb -0.09 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 3bx5 s ARG 10 CO -0.17 -2.18 0.00 0.00 -0.81 0.00 0.00 175.30 172.14 3bx5 n GLN 11 N -3.67 0.00 -3.81 5.12 10.64 -0.82 -4.94 117.38 119.90 3bx5 n GLN 11 Ca 0.11 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.99 3bx5 n GLN 11 Cb 0.60 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.82 3bx5 n GLN 11 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3bx5 s GLU 12 N -2.00 1.01 0.25 2.61 2.12 -1.26 0.10 118.70 121.53 3bx5 s GLU 12 Ca 0.00 -0.68 0.05 0.00 0.36 0.00 0.00 54.97 54.70 3bx5 s GLU 12 Cb 0.00 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 32.07 3bx5 s GLU 12 CO 0.00 -0.65 0.37 -0.51 -0.54 0.00 0.00 175.26 173.93 3bx5 s LEU 13 N 1.67 4.30 0.00 2.70 1.43 -0.22 -4.87 118.68 123.69 3bx5 s LEU 13 Ca -0.02 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3bx5 s LEU 13 Cb -0.18 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3bx5 s LEU 13 CO -0.08 -0.08 0.00 -0.46 0.23 0.00 0.00 176.35 175.95 3bx5 n ASN 14 N -1.43 0.00 0.00 2.29 6.94 -1.26 -1.44 115.26 120.36 3bx5 n ASN 14 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 3bx5 n ASN 14 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3bx5 n ASN 14 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3bx5 n LYS 15 N 0.00 2.85 -2.31 -3.83 4.76 -1.26 -5.06 118.16 113.31 3bx5 n LYS 15 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 3bx5 n LYS 15 Cb 0.00 -0.90 -0.01 0.00 -1.84 0.00 0.00 35.03 32.28 3bx5 n LYS 15 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3bx5 s THR 16 N -1.81 3.25 -0.01 -0.18 2.01 -0.52 -5.02 115.64 113.37 3bx5 s THR 16 Ca 0.00 0.82 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 3bx5 s THR 16 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3bx5 s THR 16 CO 0.00 -0.13 0.16 0.27 -0.69 0.00 0.00 174.62 174.23 3bx5 s ILE 17 N -1.75 5.29 -0.06 1.82 -5.25 -1.26 -1.05 121.20 118.94 3bx5 s ILE 17 Ca 0.70 -0.20 0.05 0.00 -0.99 0.00 0.00 60.65 60.20 3bx5 s ILE 17 Cb -0.24 -3.46 -0.00 0.00 2.95 0.00 0.00 42.46 41.71 3bx5 s ILE 17 CO 0.27 0.34 -0.20 0.26 -1.79 0.00 0.00 174.94 173.82 3bx5 s TRP 18 N -1.29 2.07 -0.49 1.37 0.52 0.28 -4.93 118.94 116.47 3bx5 s TRP 18 Ca 0.26 -0.67 0.03 0.00 0.02 0.00 0.00 56.10 55.74 3bx5 s TRP 18 Cb -0.12 -1.38 0.14 0.00 -1.15 0.00 0.00 33.47 30.95 3bx5 s TRP 18 CO 0.17 -0.24 0.27 -2.00 0.02 0.00 0.00 176.95 175.17 3bx5 s GLU 19 N 0.10 1.62 0.31 4.98 2.12 -1.26 -1.94 118.70 124.63 3bx5 s GLU 19 Ca -0.08 -2.34 0.09 0.00 0.36 0.00 0.00 54.97 53.00 3bx5 s GLU 19 Cb -0.14 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 3bx5 s GLU 19 CO 0.04 -1.16 0.08 0.14 -0.54 0.00 0.00 175.26 173.82 3bx5 s VAL 20 N -0.04 3.19 0.74 3.70 -7.23 -1.15 -4.58 120.40 115.04 3bx5 s VAL 20 Ca 0.18 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 3bx5 s VAL 20 Cb -0.23 -2.93 0.04 0.00 0.56 0.00 0.00 36.38 33.83 3bx5 s VAL 20 CO -0.02 -0.26 1.21 -2.84 -0.31 0.00 0.00 175.10 172.88 3bx5 s PRO 21 N -3.77 2.10 0.54 4.82 0.02 -1.26 -1.61 135.00 135.85 3bx5 s PRO 21 Ca 0.35 1.75 0.36 0.00 0.02 0.00 0.00 61.00 63.48 3bx5 s PRO 21 Cb -0.04 -1.83 1.71 0.00 0.02 0.00 0.00 34.50 34.36 3bx5 s PRO 21 CO 0.21 -1.86 2.07 0.93 -0.33 0.00 0.00 177.00 178.02 3bx5 h GLU 22 N -0.35 0.00 0.00 5.54 5.08 -1.60 -2.51 114.58 120.75 3bx5 h GLU 22 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3bx5 h GLU 22 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3bx5 h GLU 22 CO 0.49 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 181.39 3bx5 n ARG 23 N -2.93 0.16 -3.84 2.33 1.85 -1.26 -4.27 116.66 108.70 3bx5 n ARG 23 Ca -0.01 0.18 -0.35 0.00 -1.00 0.00 0.00 57.85 56.67 3bx5 n ARG 23 Cb 0.19 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.97 3bx5 n ARG 23 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3bx5 s TYR 24 N -2.53 3.54 0.26 2.89 2.02 -0.95 -0.60 117.35 121.99 3bx5 s TYR 24 Ca 0.10 -2.37 0.08 0.00 -0.37 0.00 0.00 57.07 54.51 3bx5 s TYR 24 Cb 0.07 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3bx5 s TYR 24 CO 0.15 -0.93 0.15 -0.65 -1.57 0.00 0.00 175.55 172.70 3bx5 s GLN 25 N 1.13 2.73 -0.84 -0.62 -1.52 -0.82 -4.77 119.66 114.95 3bx5 s GLN 25 Ca 0.05 -1.18 -0.04 0.00 -1.95 0.00 0.00 55.36 52.24 3bx5 s GLN 25 Cb -0.21 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 3bx5 s GLN 25 CO -0.04 0.37 0.73 0.09 -0.25 0.00 0.00 175.29 176.19 3bx5 n ASN 26 N -1.11 -4.15 -4.68 5.90 3.02 -1.26 -0.77 115.26 112.21 3bx5 n ASN 26 Ca -0.07 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 3bx5 n ASN 26 Cb 0.58 -3.41 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 3bx5 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bx5 s LEU 27 N -4.97 4.39 -0.18 3.41 1.02 -1.25 -4.51 118.68 116.59 3bx5 s LEU 27 Ca 0.29 2.60 -0.03 0.00 0.02 0.00 0.00 54.13 57.01 3bx5 s LEU 27 Cb -0.13 -3.55 0.06 0.00 0.02 0.00 0.00 46.19 42.59 3bx5 s LEU 27 CO 0.47 -0.98 0.04 -0.55 0.02 0.00 0.00 176.35 175.34 3bx5 s SER 28 N 3.26 2.71 -0.51 2.29 0.15 -0.47 -4.93 113.70 116.20 3bx5 s SER 28 Ca 0.81 -0.73 -0.42 0.00 0.70 0.00 0.00 55.95 56.31 3bx5 s SER 28 Cb -0.42 -0.53 -0.19 0.00 -1.71 0.00 0.00 66.02 63.17 3bx5 s SER 28 CO 0.36 -0.30 2.10 -2.65 1.20 0.00 0.00 173.24 173.95 3bx5 n PRO 29 N 5.09 0.00 -3.60 5.44 -0.02 -1.26 -2.07 135.00 138.58 3bx5 n PRO 29 Ca -0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.17 3bx5 n PRO 29 Cb 0.48 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 3bx5 n PRO 29 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bx5 s VAL 30 N 5.98 5.16 -0.32 -1.45 1.01 -0.52 -4.76 120.40 125.50 3bx5 s VAL 30 Ca 1.17 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 3bx5 s VAL 30 Cb -1.44 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 31.09 3bx5 s VAL 30 CO 0.63 -0.47 0.19 0.61 0.00 0.00 0.00 175.10 176.06 3bx5 n GLY 31 N -1.64 -0.27 3.58 4.51 0.00 -1.26 -2.84 105.19 107.27 3bx5 n GLY 31 Ca -0.06 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3bx5 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bx5 n SER 32 N -0.05 -0.65 -1.13 1.61 3.41 -1.26 0.33 113.62 115.87 3bx5 n SER 32 Ca -0.05 -0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 57.97 3bx5 n SER 32 Cb 0.17 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 3bx5 n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bx5 n GLY 33 N -1.57 0.31 0.35 5.00 0.00 -1.13 -4.74 105.19 103.41 3bx5 n GLY 33 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3bx5 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx5 h ALA 34 N 1.66 1.07 -0.39 4.61 0.00 -0.38 -0.52 119.26 125.31 3bx5 h ALA 34 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bx5 h ALA 34 Cb 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bx5 h ALA 34 CO 0.10 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.68 3bx5 n TYR 35 N -4.29 1.13 -1.47 0.00 4.02 -1.26 -5.03 117.16 110.26 3bx5 n TYR 35 Ca 0.08 -0.42 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3bx5 n TYR 35 Cb 0.17 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 3bx5 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bx5 n GLY 36 N 0.62 -1.79 3.58 2.72 0.00 -0.20 -4.63 105.19 105.48 3bx5 n GLY 36 Ca 0.17 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3bx5 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bx5 s SER 37 N -4.00 5.54 -0.06 1.61 0.01 -1.26 -4.13 113.70 111.42 3bx5 s SER 37 Ca 0.00 -1.87 0.03 0.00 1.31 0.00 0.00 55.95 55.42 3bx5 s SER 37 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 3bx5 s SER 37 CO 0.00 -2.54 -0.14 -0.69 0.41 0.00 0.00 173.24 170.28 3bx5 s VAL 38 N 9.08 3.06 0.04 3.43 1.01 -1.26 -0.68 120.40 135.09 3bx5 s VAL 38 Ca 0.64 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3bx5 s VAL 38 Cb 0.01 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3bx5 s VAL 38 CO 0.11 0.58 -0.22 0.00 0.00 0.00 0.00 175.10 175.58 3bx5 s ALA 40 N -0.79 3.48 0.19 0.00 0.00 -0.88 0.94 121.76 124.69 3bx5 s ALA 40 Ca 0.08 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 3bx5 s ALA 40 Cb -0.09 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3bx5 s ALA 40 CO 0.02 0.34 0.28 0.00 0.00 0.00 0.00 175.76 176.40 3bx5 s ALA 41 N -1.32 0.25 -0.18 0.00 0.00 -0.42 -1.37 121.76 118.72 3bx5 s ALA 41 Ca 0.37 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3bx5 s ALA 41 Cb -0.19 1.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 3bx5 s ALA 41 CO 0.22 -0.67 0.02 0.12 0.00 0.00 0.00 175.76 175.45 3bx5 s PHE 42 N -4.02 3.13 -1.15 0.00 2.19 0.05 -1.32 117.98 116.86 3bx5 s PHE 42 Ca 0.23 -0.15 -0.16 0.00 0.33 0.00 0.00 56.93 57.19 3bx5 s PHE 42 Cb 0.03 -2.04 0.14 0.00 -1.31 0.00 0.00 43.02 39.84 3bx5 s PHE 42 CO 0.05 0.01 1.41 0.34 1.83 0.00 0.00 175.22 178.86 3bx5 s ASP 43 N 0.50 6.92 0.50 6.13 -1.08 0.17 -1.94 116.67 127.87 3bx5 s ASP 43 Ca 0.00 -2.65 0.04 0.00 -0.52 0.00 0.00 52.55 49.42 3bx5 s ASP 43 Cb -0.13 -2.43 0.20 0.00 -1.46 0.00 0.00 42.92 39.09 3bx5 s ASP 43 CO 0.02 -0.91 1.00 0.74 0.52 0.00 0.00 175.17 176.54 3bx5 h THR 44 N 5.13 0.00 0.00 1.71 2.02 -1.13 1.03 112.91 121.67 3bx5 h THR 44 Ca 0.30 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.38 3bx5 h THR 44 Cb 0.91 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3bx5 h THR 44 CO 1.25 0.00 -2.03 1.17 0.37 0.00 0.00 175.52 176.28 3bx5 n LYS 45 N -2.19 0.70 -0.00 6.66 4.81 -1.26 -4.43 118.16 122.45 3bx5 n LYS 45 Ca -0.00 -0.14 0.03 0.00 -0.87 0.00 0.00 58.31 57.33 3bx5 n LYS 45 Cb 0.79 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 34.32 3bx5 n LYS 45 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3bx5 n THR 46 N -2.35 0.00 -1.17 3.15 -2.24 0.94 -4.97 114.28 107.65 3bx5 n THR 46 Ca -0.11 -0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 61.31 3bx5 n THR 46 Cb 0.70 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3bx5 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bx5 n GLY 47 N 1.45 0.74 3.82 3.38 0.00 0.32 -4.98 105.19 109.91 3bx5 n GLY 47 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3bx5 n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bx5 s LEU 48 N -1.33 3.81 -0.17 0.99 2.96 -1.23 -4.87 118.68 118.85 3bx5 s LEU 48 Ca 0.00 -0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.55 3bx5 s LEU 48 Cb 0.00 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 3bx5 s LEU 48 CO 0.00 -0.03 0.22 -0.13 -1.32 0.00 0.00 176.35 175.09 3bx5 s ARG 49 N -3.77 4.16 0.41 1.98 0.52 -1.26 0.45 118.95 121.45 3bx5 s ARG 49 Ca 0.33 -0.04 0.05 0.00 -0.52 0.00 0.00 55.73 55.54 3bx5 s ARG 49 Cb -0.08 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 31.93 3bx5 s ARG 49 CO 0.25 0.31 0.03 0.14 0.02 0.00 0.00 175.30 176.05 3bx5 s VAL 50 N 0.28 1.55 -0.09 3.52 -7.23 -0.43 -2.16 120.40 115.83 3bx5 s VAL 50 Ca 0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 3bx5 s VAL 50 Cb -0.12 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 3bx5 s VAL 50 CO 0.02 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.66 3bx5 s ALA 51 N -2.91 2.57 -0.17 1.32 0.00 0.89 -1.30 121.76 122.17 3bx5 s ALA 51 Ca 0.28 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3bx5 s ALA 51 Cb 0.07 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3bx5 s ALA 51 CO 0.14 0.39 -0.17 0.08 0.00 0.00 0.00 175.76 176.20 3bx5 s VAL 52 N -0.12 2.40 -0.20 0.00 1.01 0.27 -2.00 120.40 121.75 3bx5 s VAL 52 Ca -0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3bx5 s VAL 52 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3bx5 s VAL 52 CO 0.04 0.52 -0.11 -0.75 0.00 0.00 0.00 175.10 174.80 3bx5 s LYS 53 N 1.10 3.22 -0.30 2.72 2.20 0.02 0.19 119.74 128.88 3bx5 s LYS 53 Ca 0.00 -0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 3bx5 s LYS 53 Cb -0.14 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3bx5 s LYS 53 CO -0.06 -0.20 0.45 0.21 -0.36 0.00 0.00 175.35 175.39 3bx5 s LYS 54 N 1.40 3.83 0.46 4.03 2.20 0.14 -0.64 119.74 131.16 3bx5 s LYS 54 Ca 0.05 -0.03 -0.25 0.00 -0.36 0.00 0.00 55.97 55.39 3bx5 s LYS 54 Cb -0.14 -3.73 -0.08 0.00 -1.51 0.00 0.00 37.83 32.37 3bx5 s LYS 54 CO -0.07 -0.45 1.42 1.28 -0.36 0.00 0.00 175.35 177.17 3bx5 n LEU 55 N 5.53 5.12 -4.56 5.43 4.77 -0.38 -4.42 117.00 128.49 3bx5 n LEU 55 Ca -0.06 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 3bx5 n LEU 55 Cb 0.50 -1.60 -0.07 0.00 -2.33 0.00 0.00 43.42 39.92 3bx5 n LEU 55 CO 0.41 -0.21 0.39 -0.55 -1.33 0.00 0.00 177.39 176.10 3bx5 s SER 56 N -0.51 6.40 -1.17 -1.43 0.15 -1.26 -4.42 113.70 111.46 3bx5 s SER 56 Ca 0.62 0.01 -0.20 0.00 0.70 0.00 0.00 55.95 57.08 3bx5 s SER 56 Cb -0.45 -2.33 -0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3bx5 s SER 56 CO 0.57 -0.66 0.76 0.54 1.20 0.00 0.00 173.24 175.65 3bx5 n ARG 57 N 6.13 -1.37 -0.22 5.44 1.74 -1.26 -4.85 116.66 122.27 3bx5 n ARG 57 Ca -0.01 0.43 0.22 0.00 -0.77 0.00 0.00 57.85 57.71 3bx5 n ARG 57 Cb 0.48 -4.07 0.57 0.00 -1.02 0.00 0.00 32.46 28.43 3bx5 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3bx5 h PRO 58 N -1.94 0.28 -0.82 5.56 0.13 -1.80 -3.09 132.00 130.32 3bx5 h PRO 58 Ca -0.67 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.06 3bx5 h PRO 58 Cb 1.36 -0.06 -0.41 0.00 0.13 0.00 0.00 31.00 32.02 3bx5 h PRO 58 CO 0.50 0.19 -1.03 1.19 -0.23 0.00 0.00 178.00 178.62 3bx5 n PHE 59 N -4.45 1.83 0.05 1.56 3.72 -1.26 -2.65 117.46 116.26 3bx5 n PHE 59 Ca 0.19 -2.49 -0.17 0.00 -0.05 0.00 0.00 57.45 54.93 3bx5 n PHE 59 Cb 0.76 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 3bx5 n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3bx5 h GLN 60 N 2.63 0.57 -4.93 -1.08 1.08 -1.91 -3.47 115.11 108.00 3bx5 h GLN 60 Ca 0.03 -0.61 -0.48 0.00 -1.45 0.00 0.00 58.65 56.15 3bx5 h GLN 60 Cb 1.24 0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 28.71 3bx5 h GLN 60 CO 0.48 1.22 -0.51 -1.54 -0.95 0.00 0.00 178.83 177.53 3bx5 s SER 61 N -7.19 1.95 0.11 1.46 1.04 -1.26 -5.04 113.70 104.77 3bx5 s SER 61 Ca -0.08 -1.69 -0.17 0.00 0.48 0.00 0.00 55.95 54.50 3bx5 s SER 61 Cb 0.08 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3bx5 s SER 61 CO 0.90 -0.99 1.59 0.40 0.98 0.00 0.00 173.24 176.12 3bx5 h ILE 62 N 2.06 1.23 -0.76 -1.02 2.04 -1.94 -1.80 117.51 117.33 3bx5 h ILE 62 Ca -0.30 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3bx5 h ILE 62 Cb 1.25 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 3bx5 h ILE 62 CO 0.46 0.27 0.48 -0.29 0.00 0.00 0.00 178.15 179.07 3bx5 h ILE 63 N 0.39 1.21 -0.18 -0.67 -0.00 -1.96 0.56 117.51 116.85 3bx5 h ILE 63 Ca 0.10 -0.42 -0.02 0.00 -0.00 0.00 0.00 64.86 64.52 3bx5 h ILE 63 Cb 0.34 0.12 -0.01 0.00 -0.00 0.00 0.00 36.82 37.28 3bx5 h ILE 63 CO 0.01 0.21 0.02 0.45 -0.00 0.00 0.00 178.15 178.83 3bx5 h HIS 64 N 1.03 0.33 -0.61 2.19 3.86 -1.83 -1.13 115.15 118.99 3bx5 h HIS 64 Ca 0.28 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3bx5 h HIS 64 Cb -0.08 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3bx5 h HIS 64 CO -0.01 0.47 0.40 0.00 0.86 0.00 0.00 177.93 179.65 3bx5 h ALA 65 N 0.81 1.57 -0.30 2.45 0.00 -0.92 0.44 119.26 123.31 3bx5 h ALA 65 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3bx5 h ALA 65 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3bx5 h ALA 65 CO 0.01 0.40 -0.27 -0.22 0.00 0.00 0.00 179.25 179.16 3bx5 h LYS 66 N 0.82 0.71 -0.49 0.00 3.64 -0.63 -2.08 116.57 118.54 3bx5 h LYS 66 Ca 0.22 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3bx5 h LYS 66 Cb -0.09 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3bx5 h LYS 66 CO -0.05 0.98 0.13 0.00 -2.27 0.00 0.00 179.45 178.24 3bx5 h ARG 67 N 0.46 0.74 -0.10 1.90 3.08 -0.58 0.23 114.38 120.10 3bx5 h ARG 67 Ca 0.05 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3bx5 h ARG 67 Cb 0.83 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 3bx5 h ARG 67 CO 0.07 0.66 0.01 1.15 -1.07 0.00 0.00 179.97 180.80 3bx5 h THR 68 N 0.72 1.22 -0.69 2.04 2.02 -0.87 0.29 112.91 117.64 3bx5 h THR 68 Ca 0.16 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3bx5 h THR 68 Cb 0.25 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3bx5 h THR 68 CO -0.00 0.20 0.42 0.22 0.37 0.00 0.00 175.52 176.73 3bx5 h TYR 69 N -0.07 0.91 -0.11 3.16 3.20 -0.99 -1.70 116.97 121.37 3bx5 h TYR 69 Ca 0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3bx5 h TYR 69 Cb 0.30 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3bx5 h TYR 69 CO 0.02 0.61 0.05 -0.09 -1.64 0.00 0.00 178.16 177.10 3bx5 h ARG 70 N 0.94 0.10 0.27 1.82 2.43 -0.43 -1.46 114.38 118.06 3bx5 h ARG 70 Ca 0.25 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3bx5 h ARG 70 Cb -0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3bx5 h ARG 70 CO -0.05 0.07 -0.20 1.49 -1.51 0.00 0.00 179.97 179.77 3bx5 h GLU 71 N 0.11 -0.46 -0.52 0.20 4.81 -0.63 -1.85 114.58 116.24 3bx5 h GLU 71 Ca 0.04 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3bx5 h GLU 71 Cb 0.01 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3bx5 h GLU 71 CO -0.04 -0.31 0.22 1.25 -0.73 0.00 0.00 179.01 179.41 3bx5 h LEU 72 N -0.48 0.27 -0.51 1.64 5.85 -1.23 -1.02 115.31 119.83 3bx5 h LEU 72 Ca -0.02 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3bx5 h LEU 72 Cb 0.41 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3bx5 h LEU 72 CO -0.00 0.18 0.28 0.03 -0.34 0.00 0.00 178.44 178.59 3bx5 h ARG 73 N 0.42 0.54 0.11 1.25 2.47 -1.09 -0.93 114.38 117.15 3bx5 h ARG 73 Ca 0.24 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.92 3bx5 h ARG 73 Cb 0.22 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3bx5 h ARG 73 CO -0.22 0.36 -0.05 -0.07 0.56 0.00 0.00 179.97 180.55 3bx5 h LEU 74 N 0.56 -0.12 -1.10 3.04 4.07 -0.93 -2.45 115.31 118.37 3bx5 h LEU 74 Ca 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3bx5 h LEU 74 Cb 0.08 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 3bx5 h LEU 74 CO -0.12 0.03 0.50 -0.07 -1.08 0.00 0.00 178.44 177.70 3bx5 h LEU 75 N -0.28 0.98 -1.50 1.67 3.38 -0.96 -1.71 115.31 116.89 3bx5 h LEU 75 Ca -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3bx5 h LEU 75 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bx5 h LEU 75 CO 0.02 0.75 -0.25 0.11 0.09 0.00 0.00 178.44 179.17 3bx5 h LYS 76 N 1.14 0.00 0.02 1.13 1.57 -1.07 -2.99 116.57 116.37 3bx5 h LYS 76 Ca 0.30 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.86 3bx5 h LYS 76 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3bx5 h LYS 76 CO -0.06 0.25 -0.99 1.25 -0.57 0.00 0.00 179.45 179.33 3bx5 h HIS 77 N 0.00 0.13 -2.65 -1.35 2.76 -0.83 -3.46 115.15 109.75 3bx5 h HIS 77 Ca -0.00 -0.09 -0.57 0.00 -2.20 0.00 0.00 60.37 57.51 3bx5 h HIS 77 Cb 0.52 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 3bx5 h HIS 77 CO 0.00 1.01 1.27 -1.64 -1.30 0.00 0.00 177.93 177.28 3bx5 s MET 78 N -2.85 3.31 -0.52 5.26 -1.94 -0.95 -4.93 119.30 116.68 3bx5 s MET 78 Ca -0.01 1.37 0.05 0.00 -1.71 0.00 0.00 55.69 55.40 3bx5 s MET 78 Cb 0.10 -4.20 0.19 0.00 2.01 0.00 0.00 34.83 32.92 3bx5 s MET 78 CO 0.83 -1.89 0.45 1.63 -0.01 0.00 0.00 175.02 176.02 3bx5 n LYS 79 N 8.45 0.96 -3.56 2.03 5.02 -1.26 -4.46 118.16 125.34 3bx5 n LYS 79 Ca 0.23 -3.72 -0.17 0.00 -2.02 0.00 0.00 58.31 52.63 3bx5 n LYS 79 Cb 0.47 -1.86 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 3bx5 n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3bx5 s HIS 80 N -0.78 -0.60 0.37 2.13 2.46 -1.26 -5.05 115.29 112.55 3bx5 s HIS 80 Ca 0.31 1.06 0.20 0.00 0.47 0.00 0.00 55.06 57.11 3bx5 s HIS 80 Cb 0.04 0.35 1.07 0.00 -0.13 0.00 0.00 32.58 33.91 3bx5 s HIS 80 CO -0.16 -0.56 1.94 0.93 -2.47 0.00 0.00 174.74 174.42 3bx5 h GLU 81 N 3.30 0.00 -0.52 2.88 3.07 -1.97 -3.03 114.58 118.30 3bx5 h GLU 81 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3bx5 h GLU 81 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3bx5 h GLU 81 CO 0.37 0.23 0.00 0.09 -1.40 0.00 0.00 179.01 178.30 3bx5 n ASN 82 N -3.84 3.89 -3.99 1.42 4.13 -1.26 -4.72 115.26 110.89 3bx5 n ASN 82 Ca -0.02 -2.28 -0.23 0.00 1.68 0.00 0.00 54.58 53.73 3bx5 n ASN 82 Cb 0.32 -0.44 -0.16 0.00 -1.54 0.00 0.00 39.78 37.96 3bx5 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bx5 s VAL 83 N -1.52 0.98 0.27 2.41 1.01 -1.15 -0.73 120.40 121.67 3bx5 s VAL 83 Ca 0.41 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3bx5 s VAL 83 Cb 0.25 -0.91 -0.13 0.00 0.00 0.00 0.00 36.38 35.59 3bx5 s VAL 83 CO 0.22 0.32 1.33 0.00 0.00 0.00 0.00 175.10 176.97 3bx5 n ILE 84 N 3.83 1.34 -4.55 2.22 0.13 -0.45 -4.48 119.36 117.39 3bx5 n ILE 84 Ca -0.23 -0.33 -0.27 0.00 -1.10 0.00 0.00 62.75 60.82 3bx5 n ILE 84 Cb 0.52 -1.45 -0.10 0.00 -0.84 0.00 0.00 39.64 37.76 3bx5 n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3bx5 s GLY 85 N 0.04 2.31 -0.37 4.50 0.00 -1.26 -4.80 107.32 107.74 3bx5 s GLY 85 Ca 0.64 -2.17 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 3bx5 s GLY 85 CO 0.54 -2.05 0.63 -2.27 0.00 0.00 0.00 173.10 169.96 3bx5 s LEU 86 N -3.66 4.30 0.02 0.66 2.96 -1.23 -4.44 118.68 117.30 3bx5 s LEU 86 Ca 0.34 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.27 3bx5 s LEU 86 Cb 0.05 -2.77 -0.27 0.00 0.50 0.00 0.00 46.19 43.70 3bx5 s LEU 86 CO 0.17 -0.62 0.92 -0.07 -1.32 0.00 0.00 176.35 175.43 3bx5 h LEU 87 N 9.43 0.37 -7.00 -0.68 3.38 0.40 -3.43 115.31 117.77 3bx5 h LEU 87 Ca -0.26 -0.48 0.15 0.00 0.09 0.00 0.00 57.88 57.37 3bx5 h LEU 87 Cb 1.11 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.50 3bx5 h LEU 87 CO 0.84 1.40 0.70 -0.62 0.09 0.00 0.00 178.44 180.85 3bx5 s ASP 88 N -6.97 -0.24 -0.02 -0.43 2.15 -0.90 -4.73 116.67 105.53 3bx5 s ASP 88 Ca -0.07 0.24 -0.00 0.00 0.43 0.00 0.00 52.55 53.14 3bx5 s ASP 88 Cb 0.07 0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.92 3bx5 s ASP 88 CO 0.86 -0.24 0.03 0.54 -0.17 0.00 0.00 175.17 176.18 3bx5 s VAL 89 N -1.25 -0.04 0.16 1.11 0.11 -1.26 0.10 120.40 119.34 3bx5 s VAL 89 Ca 0.03 0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 3bx5 s VAL 89 Cb -0.01 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 3bx5 s VAL 89 CO -0.02 0.10 0.23 0.72 -3.33 0.00 0.00 175.10 172.80 3bx5 s PHE 90 N 1.12 0.54 0.01 1.54 -0.12 -0.72 -4.99 117.98 115.35 3bx5 s PHE 90 Ca -0.09 -0.90 -0.06 0.00 -0.05 0.00 0.00 56.93 55.84 3bx5 s PHE 90 Cb -0.13 -0.17 -0.00 0.00 -0.63 0.00 0.00 43.02 42.09 3bx5 s PHE 90 CO -0.03 -0.68 0.11 -0.08 -0.05 0.00 0.00 175.22 174.49 3bx5 s THR 91 N -4.00 0.10 -0.42 -4.49 -1.32 -1.26 -1.57 115.64 102.69 3bx5 s THR 91 Ca 0.20 -0.82 0.07 0.00 -1.21 0.00 0.00 61.69 59.93 3bx5 s THR 91 Cb 0.04 -0.54 0.54 0.00 -1.51 0.00 0.00 72.50 71.03 3bx5 s THR 91 CO 0.01 -0.45 1.47 -0.81 -2.21 0.00 0.00 174.62 172.63 3bx5 n PRO 92 N 1.27 3.11 -3.75 7.08 -0.04 -1.26 -4.86 135.00 136.55 3bx5 n PRO 92 Ca -0.22 -2.17 -0.35 0.00 -0.04 0.00 0.00 63.50 60.72 3bx5 n PRO 92 Cb 0.56 -1.97 -0.08 0.00 -0.04 0.00 0.00 33.50 31.97 3bx5 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bx5 s ALA 93 N -2.26 3.68 -1.48 0.55 0.00 -1.26 -4.94 121.76 116.04 3bx5 s ALA 93 Ca 0.39 -0.69 0.28 0.00 0.00 0.00 0.00 51.96 51.93 3bx5 s ALA 93 Cb 0.31 -2.16 1.03 0.00 0.00 0.00 0.00 23.12 22.30 3bx5 s ALA 93 CO 0.10 0.16 1.75 2.89 0.00 0.00 0.00 175.76 180.66 3bx5 n ARG 94 N 3.51 0.52 -3.88 0.00 1.85 -1.26 -4.88 116.66 112.52 3bx5 n ARG 94 Ca -0.16 -0.21 -0.11 0.00 -1.00 0.00 0.00 57.85 56.37 3bx5 n ARG 94 Cb 0.52 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.34 3bx5 n ARG 94 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3bx5 s SER 95 N -2.63 0.06 0.45 2.89 0.15 -1.26 -5.00 113.70 108.36 3bx5 s SER 95 Ca 0.23 -0.30 0.13 0.00 0.70 0.00 0.00 55.95 56.72 3bx5 s SER 95 Cb 0.19 0.21 1.04 0.00 -1.71 0.00 0.00 66.02 65.76 3bx5 s SER 95 CO 0.53 -0.41 2.02 0.25 1.20 0.00 0.00 173.24 176.82 3bx5 h LEU 96 N 4.09 0.32 -0.96 3.45 5.85 -1.96 -1.13 115.31 124.96 3bx5 h LEU 96 Ca -0.31 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3bx5 h LEU 96 Cb 1.19 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3bx5 h LEU 96 CO 0.43 0.21 0.54 -0.08 -0.34 0.00 0.00 178.44 179.20 3bx5 h GLU 97 N 0.37 1.26 -0.40 1.25 4.22 -1.99 -2.53 114.58 116.75 3bx5 h GLU 97 Ca 0.21 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 3bx5 h GLU 97 Cb 0.38 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3bx5 h GLU 97 CO -0.05 0.89 0.00 0.39 -2.18 0.00 0.00 179.01 178.06 3bx5 n GLU 98 N -4.35 3.79 -2.41 1.92 -0.58 -0.52 -4.93 120.64 113.56 3bx5 n GLU 98 Ca 0.10 -2.99 -0.41 0.00 -0.42 0.00 0.00 57.16 53.43 3bx5 n GLU 98 Cb 0.07 -2.03 -0.03 0.00 -0.57 0.00 0.00 31.44 28.88 3bx5 n GLU 98 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3bx5 s PHE 99 N -2.81 2.29 0.00 -0.32 5.36 -0.66 -4.68 117.98 117.16 3bx5 s PHE 99 Ca 0.48 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 3bx5 s PHE 99 Cb 0.38 -4.42 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 3bx5 s PHE 99 CO 0.12 -1.96 0.05 -1.71 -1.46 0.00 0.00 175.22 170.26 3bx5 n ASN 100 N 9.56 0.10 -4.13 6.13 5.15 -1.26 -5.04 115.26 125.77 3bx5 n ASN 100 Ca 0.11 -0.64 -0.23 0.00 -0.60 0.00 0.00 54.58 53.23 3bx5 n ASN 100 Cb 0.49 0.07 -0.15 0.00 -0.53 0.00 0.00 39.78 39.66 3bx5 n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3bx5 s ASP 101 N -0.07 1.77 -0.04 1.20 1.01 -1.26 -4.56 116.67 114.71 3bx5 s ASP 101 Ca 0.00 -0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.00 3bx5 s ASP 101 Cb 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.74 3bx5 s ASP 101 CO 0.00 0.17 -0.14 -0.69 0.21 0.00 0.00 175.17 174.72 3bx5 s VAL 102 N -0.40 1.20 -0.07 -1.27 1.01 -1.26 -4.50 120.40 115.11 3bx5 s VAL 102 Ca 0.05 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3bx5 s VAL 102 Cb -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3bx5 s VAL 102 CO -0.00 0.36 -0.15 -0.31 0.00 0.00 0.00 175.10 174.99 3bx5 s TYR 103 N 0.20 1.71 -0.03 5.22 1.51 -0.61 -1.25 117.35 124.11 3bx5 s TYR 103 Ca -0.06 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.43 3bx5 s TYR 103 Cb -0.12 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 3bx5 s TYR 103 CO 0.02 -0.27 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.53 3bx5 s LEU 104 N 0.45 2.72 -0.11 -1.29 1.43 0.19 -1.76 118.68 120.30 3bx5 s LEU 104 Ca -0.13 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3bx5 s LEU 104 Cb -0.15 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.52 3bx5 s LEU 104 CO 0.04 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.08 3bx5 s VAL 105 N -0.77 1.69 0.36 -1.59 1.01 0.29 -0.80 120.40 120.59 3bx5 s VAL 105 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3bx5 s VAL 105 Cb -0.11 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3bx5 s VAL 105 CO 0.01 0.48 0.10 0.42 0.00 0.00 0.00 175.10 176.11 3bx5 s THR 106 N 0.84 0.79 0.72 3.92 -4.23 -0.85 0.11 115.64 116.94 3bx5 s THR 106 Ca -0.09 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.27 3bx5 s THR 106 Cb -0.15 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3bx5 s THR 106 CO -0.00 0.00 1.23 -1.00 -0.54 0.00 0.00 174.62 174.31 3bx5 s HIS 107 N -3.33 2.01 -0.20 3.99 3.76 -1.26 -0.08 115.29 120.18 3bx5 s HIS 107 Ca 0.31 1.58 -0.15 0.00 -0.15 0.00 0.00 55.06 56.65 3bx5 s HIS 107 Cb 0.06 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.16 3bx5 s HIS 107 CO 0.15 -2.75 0.36 -1.17 -0.85 0.00 0.00 174.74 170.48 3bx5 s LEU 108 N -5.02 4.15 0.06 0.89 1.98 -0.92 -4.14 118.68 115.69 3bx5 s LEU 108 Ca 0.77 0.45 -0.02 0.00 -2.89 0.00 0.00 54.13 52.44 3bx5 s LEU 108 Cb -0.32 -2.45 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 3bx5 s LEU 108 CO 0.44 -0.05 0.25 -0.04 -1.89 0.00 0.00 176.35 175.07 3bx5 s MET 109 N 1.22 3.50 0.07 1.98 -1.94 -1.26 -4.92 119.30 117.94 3bx5 s MET 109 Ca 0.17 -0.30 -0.25 0.00 -1.71 0.00 0.00 55.69 53.60 3bx5 s MET 109 Cb -0.14 -3.01 -0.16 0.00 2.01 0.00 0.00 34.83 33.52 3bx5 s MET 109 CO 0.07 0.60 1.62 0.78 -0.01 0.00 0.00 175.02 178.07 3bx5 h GLY 110 N 3.27 -0.19 -1.37 -0.03 0.00 -1.87 -3.48 103.07 99.40 3bx5 h GLY 110 Ca -0.46 0.07 -0.22 0.00 0.00 0.00 0.00 47.33 46.72 3bx5 h GLY 110 CO 0.73 -0.07 -0.03 0.00 0.00 0.00 0.00 176.54 177.17 3bx5 n ALA 111 N -2.22 -0.77 -2.39 3.60 0.00 -0.16 -5.00 120.51 113.58 3bx5 n ALA 111 Ca -0.08 -1.57 -0.20 0.00 0.00 0.00 0.00 53.44 51.59 3bx5 n ALA 111 Cb 0.13 1.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.74 3bx5 n ALA 111 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3bx5 s ASP 112 N -3.21 2.89 0.58 0.00 1.47 -1.26 0.09 116.67 117.23 3bx5 s ASP 112 Ca 0.26 -1.02 0.36 0.00 1.18 0.00 0.00 52.55 53.33 3bx5 s ASP 112 Cb -0.02 -0.19 1.68 0.00 -0.34 0.00 0.00 42.92 44.05 3bx5 s ASP 112 CO 0.19 -0.10 2.11 -0.07 0.68 0.00 0.00 175.17 177.97 3bx5 h LEU 113 N 2.49 0.00 -2.40 2.11 3.38 -0.31 -2.89 115.31 117.70 3bx5 h LEU 113 Ca -0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 3bx5 h LEU 113 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3bx5 h LEU 113 CO 0.61 0.02 -0.02 -1.13 0.09 0.00 0.00 178.44 178.01 3bx5 h ASN 114 N 0.00 0.00 0.00 -0.43 -1.24 -1.78 -2.96 115.58 109.17 3bx5 h ASN 114 Ca -0.00 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.72 3bx5 h ASN 114 Cb 0.35 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.35 3bx5 h ASN 114 CO 0.00 0.02 -2.05 0.59 -1.29 0.00 0.00 177.43 174.71 3bx5 n ASN 115 N -3.27 2.03 0.08 1.15 4.13 -1.10 -4.33 115.26 113.95 3bx5 n ASN 115 Ca -0.02 0.06 0.08 0.00 1.68 0.00 0.00 54.58 56.37 3bx5 n ASN 115 Cb 0.16 -0.41 0.53 0.00 -1.54 0.00 0.00 39.78 38.51 3bx5 n ASN 115 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3bx5 h ILE 116 N -0.32 1.01 0.00 2.41 2.10 -1.54 0.25 117.51 121.42 3bx5 h ILE 116 Ca -0.44 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.40 3bx5 h ILE 116 Cb 1.53 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 3bx5 h ILE 116 CO -0.17 0.05 0.00 1.62 -1.08 0.00 0.00 178.15 178.57 3bx5 h VAL 117 N 0.30 0.00 -0.05 2.19 3.04 -1.78 -2.98 116.25 116.97 3bx5 h VAL 117 Ca 0.13 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3bx5 h VAL 117 Cb 0.13 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 3bx5 h VAL 117 CO -0.03 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.82 3bx5 n LYS 118 N -2.41 1.17 -1.60 4.17 4.76 0.87 -2.66 118.16 122.45 3bx5 n LYS 118 Ca 0.05 -0.20 -0.15 0.00 -2.87 0.00 0.00 58.31 55.13 3bx5 n LYS 118 Cb 0.45 -1.18 0.08 0.00 -1.84 0.00 0.00 35.03 32.53 3bx5 n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bx5 n GLN 120 N -0.83 0.00 -0.74 0.00 7.27 -1.09 -4.99 117.38 117.00 3bx5 n GLN 120 Ca 0.37 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 57.16 3bx5 n GLN 120 Cb 0.89 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.65 3bx5 n GLN 120 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3bx5 n LYS 121 N -1.87 -1.16 -4.09 3.69 2.85 -1.26 -4.62 118.16 111.71 3bx5 n LYS 121 Ca 0.00 -0.33 -0.23 0.00 -1.05 0.00 0.00 58.31 56.70 3bx5 n LYS 121 Cb 0.00 -1.37 -0.06 0.00 -0.65 0.00 0.00 35.03 32.95 3bx5 n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bx5 s LEU 122 N 2.71 3.32 0.62 -5.58 1.43 -0.61 -5.01 118.68 115.56 3bx5 s LEU 122 Ca 0.40 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 3bx5 s LEU 122 Cb -0.02 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3bx5 s LEU 122 CO 0.52 -0.26 1.04 0.42 0.23 0.00 0.00 176.35 178.30 3bx5 s THR 123 N -2.39 4.19 0.19 5.49 -4.23 -1.26 -4.76 115.64 112.86 3bx5 s THR 123 Ca 0.37 0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 61.60 3bx5 s THR 123 Cb -0.03 -3.54 0.10 0.00 1.34 0.00 0.00 72.50 70.36 3bx5 s THR 123 CO 0.23 -0.79 1.85 -0.78 -0.54 0.00 0.00 174.62 174.59 3bx5 h ASP 124 N -0.06 0.70 0.48 3.99 3.58 -1.97 -0.88 116.42 122.26 3bx5 h ASP 124 Ca -0.45 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 3bx5 h ASP 124 Cb 1.20 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 3bx5 h ASP 124 CO 0.59 0.51 -0.16 -0.78 -2.88 0.00 0.00 179.24 176.52 3bx5 h ASP 125 N 0.83 0.00 0.25 2.28 3.58 -1.99 0.10 116.42 121.47 3bx5 h ASP 125 Ca 0.22 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.46 3bx5 h ASP 125 Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3bx5 h ASP 125 CO -0.05 0.16 -0.85 0.45 -2.88 0.00 0.00 179.24 176.07 3bx5 h HIS 126 N 0.00 0.65 -0.31 0.28 3.86 -1.67 -2.49 115.15 115.47 3bx5 h HIS 126 Ca -0.00 -0.32 -0.13 0.00 -1.16 0.00 0.00 60.37 58.76 3bx5 h HIS 126 Cb 0.44 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 3bx5 h HIS 126 CO 0.00 1.12 -0.31 0.28 0.86 0.00 0.00 177.93 179.88 3bx5 h VAL 127 N 0.28 1.29 -0.25 2.45 2.07 -0.39 -1.42 116.25 120.29 3bx5 h VAL 127 Ca -0.06 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.00 3bx5 h VAL 127 Cb 1.46 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 3bx5 h VAL 127 CO 0.15 0.48 0.13 1.56 0.02 0.00 0.00 177.57 179.91 3bx5 h GLN 128 N 0.51 0.26 -0.44 1.57 4.20 -0.81 0.14 115.11 120.56 3bx5 h GLN 128 Ca 0.05 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 3bx5 h GLN 128 Cb 0.88 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3bx5 h GLN 128 CO 0.08 0.17 -0.20 0.35 -0.67 0.00 0.00 178.83 178.56 3bx5 h PHE 129 N 0.27 1.05 0.01 2.96 3.57 -1.41 -0.46 116.94 122.92 3bx5 h PHE 129 Ca 0.10 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 3bx5 h PHE 129 Cb 0.02 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3bx5 h PHE 129 CO -0.09 1.05 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.97 3bx5 h LEU 130 N 0.74 -0.01 -1.24 0.59 3.38 -1.02 -2.39 115.31 115.36 3bx5 h LEU 130 Ca 0.10 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3bx5 h LEU 130 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3bx5 h LEU 130 CO 0.06 0.44 0.07 0.40 0.09 0.00 0.00 178.44 179.50 3bx5 h ILE 131 N -0.46 1.19 -0.27 1.22 1.08 -0.78 -1.56 117.51 117.92 3bx5 h ILE 131 Ca -0.00 -0.70 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3bx5 h ILE 131 Cb 0.45 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 3bx5 h ILE 131 CO 0.00 0.25 0.17 0.22 -0.69 0.00 0.00 178.15 178.10 3bx5 h TYR 132 N 0.57 0.35 -0.32 1.37 3.20 -1.03 -1.55 116.97 119.56 3bx5 h TYR 132 Ca 0.13 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3bx5 h TYR 132 Cb 0.26 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3bx5 h TYR 132 CO 0.01 0.26 -0.11 1.96 -1.64 0.00 0.00 178.16 178.64 3bx5 h GLN 133 N 0.35 0.54 -0.31 1.82 4.20 -0.98 -1.47 115.11 119.26 3bx5 h GLN 133 Ca 0.10 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3bx5 h GLN 133 Cb 0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3bx5 h GLN 133 CO -0.02 0.64 0.08 0.82 -0.67 0.00 0.00 178.83 179.68 3bx5 h ILE 134 N 0.50 1.22 -0.19 2.54 2.04 -0.94 -2.21 117.51 120.46 3bx5 h ILE 134 Ca 0.09 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3bx5 h ILE 134 Cb 0.49 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3bx5 h ILE 134 CO 0.03 0.24 -0.09 -0.07 0.00 0.00 0.00 178.15 178.26 3bx5 h LEU 135 N 0.33 0.28 -0.07 1.44 3.38 -1.03 0.19 115.31 119.84 3bx5 h LEU 135 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3bx5 h LEU 135 Cb 0.29 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3bx5 h LEU 135 CO 0.00 0.41 -0.05 -0.09 0.09 0.00 0.00 178.44 178.80 3bx5 h ARG 136 N 0.28 0.15 -0.94 1.13 2.43 -1.14 0.62 114.38 116.92 3bx5 h ARG 136 Ca 0.06 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3bx5 h ARG 136 Cb 0.34 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3bx5 h ARG 136 CO 0.02 0.55 0.58 0.78 -1.51 0.00 0.00 179.97 180.39 3bx5 h GLY 137 N -0.26 1.35 1.07 2.80 0.00 -0.97 -1.89 103.07 105.18 3bx5 h GLY 137 Ca 0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 3bx5 h GLY 137 CO 0.01 0.53 -0.08 1.41 0.00 0.00 0.00 176.54 178.41 3bx5 h LEU 138 N 1.29 1.00 -0.75 3.11 3.38 -0.54 -0.62 115.31 122.17 3bx5 h LEU 138 Ca 0.34 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3bx5 h LEU 138 Cb -0.08 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 3bx5 h LEU 138 CO -0.07 1.11 0.47 0.50 0.09 0.00 0.00 178.44 180.54 3bx5 h LYS 139 N 0.88 0.88 0.08 1.13 3.64 -0.38 -0.55 116.57 122.24 3bx5 h LYS 139 Ca 0.14 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3bx5 h LYS 139 Cb 0.64 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3bx5 h LYS 139 CO 0.04 0.58 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.84 3bx5 h TYR 140 N 0.90 -0.10 -0.62 1.91 3.20 -1.05 -1.97 116.97 119.24 3bx5 h TYR 140 Ca 0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 3bx5 h TYR 140 Cb 0.04 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3bx5 h TYR 140 CO -0.04 0.13 0.21 -0.84 -1.64 0.00 0.00 178.16 175.99 3bx5 h ILE 141 N -0.33 1.24 -0.26 1.81 3.07 -0.80 -2.90 117.51 119.34 3bx5 h ILE 141 Ca -0.01 -0.81 -0.06 0.00 1.55 0.00 0.00 64.86 65.53 3bx5 h ILE 141 Cb 0.28 0.60 -0.01 0.00 -0.27 0.00 0.00 36.82 37.42 3bx5 h ILE 141 CO 0.02 0.31 -0.11 0.45 -1.05 0.00 0.00 178.15 177.77 3bx5 h HIS 142 N 0.88 0.45 -0.01 0.16 3.86 -1.11 -2.13 115.15 117.25 3bx5 h HIS 142 Ca 0.20 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3bx5 h HIS 142 Cb 0.27 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 3bx5 h HIS 142 CO 0.02 0.53 0.01 0.66 0.86 0.00 0.00 177.93 180.01 3bx5 h SER 143 N 0.40 0.00 -0.45 2.45 4.64 -1.14 -0.68 113.55 118.77 3bx5 h SER 143 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3bx5 h SER 143 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3bx5 h SER 143 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3bx5 n ALA 144 N -2.41 2.93 -2.52 5.18 0.00 -0.92 -4.79 120.51 117.99 3bx5 n ALA 144 Ca -0.03 -1.10 -0.20 0.00 0.00 0.00 0.00 53.44 52.11 3bx5 n ALA 144 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3bx5 n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bx5 n ASP 145 N 0.71 -5.64 -4.65 0.00 8.00 -0.26 -4.45 116.55 110.26 3bx5 n ASP 145 Ca 0.18 -0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.25 3bx5 n ASP 145 Cb 0.66 -4.63 -0.10 0.00 -0.02 0.00 0.00 41.12 37.04 3bx5 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bx5 s ILE 146 N -3.01 4.08 -0.06 0.53 -1.09 -0.85 -5.01 121.20 115.79 3bx5 s ILE 146 Ca 0.07 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.21 3bx5 s ILE 146 Cb -0.03 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 3bx5 s ILE 146 CO 0.09 0.60 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.54 3bx5 s ILE 147 N -0.86 2.24 0.01 2.92 1.01 -1.26 -3.37 121.20 121.88 3bx5 s ILE 147 Ca 0.13 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 3bx5 s ILE 147 Cb -0.11 -1.82 -0.16 0.00 0.01 0.00 0.00 42.46 40.37 3bx5 s ILE 147 CO 0.02 0.57 1.19 -0.74 0.00 0.00 0.00 174.94 175.99 3bx5 h HIS 148 N 5.94 -0.42 0.00 3.97 -0.00 -1.93 -3.05 115.15 119.65 3bx5 h HIS 148 Ca -0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3bx5 h HIS 148 Cb 1.17 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3bx5 h HIS 148 CO 0.44 -0.09 0.00 0.54 -0.00 0.00 0.00 177.93 178.81 3bx5 n ARG 149 N -5.15 0.00 -2.56 5.26 1.74 -1.26 -3.12 116.66 111.58 3bx5 n ARG 149 Ca -0.10 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3bx5 n ARG 149 Cb 0.27 -0.29 0.03 0.00 -1.02 0.00 0.00 32.46 31.45 3bx5 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bx5 n ASP 150 N 0.52 2.73 -4.69 0.55 2.03 -1.26 -4.99 116.55 111.45 3bx5 n ASP 150 Ca 0.00 -2.77 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 3bx5 n ASP 150 Cb 0.00 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 3bx5 n ASP 150 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3bx5 n LEU 151 N -0.52 4.01 -3.62 -2.67 7.94 -1.26 -4.90 117.00 115.98 3bx5 n LEU 151 Ca 0.20 1.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.98 3bx5 n LEU 151 Cb 0.83 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 3bx5 n LEU 151 CO 0.22 0.16 0.19 -0.54 -1.11 0.00 0.00 177.39 176.31 3bx5 s LYS 152 N 2.49 1.01 0.35 1.96 1.02 -1.26 -4.86 119.74 120.46 3bx5 s LYS 152 Ca 0.81 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 56.41 3bx5 s LYS 152 Cb -0.49 0.45 0.80 0.00 -0.52 0.00 0.00 37.83 38.07 3bx5 s LYS 152 CO 0.37 -0.38 1.88 -1.35 -0.92 0.00 0.00 175.35 174.95 3bx5 h PRO 153 N 2.68 0.69 0.00 -1.68 0.11 -1.92 0.32 132.00 132.20 3bx5 h PRO 153 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3bx5 h PRO 153 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3bx5 h PRO 153 CO 0.44 0.46 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 3bx5 n SER 154 N -4.55 0.00 -0.98 -2.05 3.41 -1.26 -1.65 113.62 106.54 3bx5 n SER 154 Ca 0.16 0.13 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3bx5 n SER 154 Cb 0.43 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.19 3bx5 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3bx5 n ASN 155 N -1.36 3.01 -4.20 4.04 3.02 0.11 -4.82 115.26 115.06 3bx5 n ASN 155 Ca 0.09 -1.96 -0.35 0.00 -0.03 0.00 0.00 54.58 52.34 3bx5 n ASN 155 Cb 0.22 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 3bx5 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bx5 s LEU 156 N -1.84 3.62 -0.16 3.41 1.43 -0.89 -1.53 118.68 122.73 3bx5 s LEU 156 Ca 0.32 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 3bx5 s LEU 156 Cb 0.21 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3bx5 s LEU 156 CO 0.31 -0.20 0.09 0.00 0.23 0.00 0.00 176.35 176.77 3bx5 s ALA 157 N 1.31 3.56 0.09 4.21 0.00 -0.12 -1.47 121.76 129.33 3bx5 s ALA 157 Ca -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.26 3bx5 s ALA 157 Cb -0.18 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3bx5 s ALA 157 CO -0.02 0.34 -0.10 0.14 0.00 0.00 0.00 175.76 176.12 3bx5 s VAL 158 N -0.16 0.91 0.38 0.00 -7.23 0.11 -0.00 120.40 114.41 3bx5 s VAL 158 Ca 0.08 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 3bx5 s VAL 158 Cb -0.12 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 3bx5 s VAL 158 CO 0.01 -0.51 0.46 0.20 -0.31 0.00 0.00 175.10 174.94 3bx5 s ASN 159 N -2.30 5.56 0.56 4.85 0.02 0.41 -0.98 114.94 123.06 3bx5 s ASN 159 Ca 0.03 -0.43 0.28 0.00 -1.02 0.00 0.00 52.86 51.72 3bx5 s ASN 159 Cb -0.04 -0.85 1.47 0.00 0.02 0.00 0.00 41.25 41.84 3bx5 s ASN 159 CO 0.00 -0.58 1.96 1.05 0.02 0.00 0.00 177.10 179.55 3bx5 h GLU 160 N 0.89 0.00 -0.10 -0.60 9.09 -1.97 1.33 114.58 123.22 3bx5 h GLU 160 Ca -0.43 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.01 3bx5 h GLU 160 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3bx5 h GLU 160 CO 0.52 0.00 0.12 0.22 0.05 0.00 0.00 179.01 179.92 3bx5 h ASP 161 N 0.00 0.00 0.00 3.06 1.82 -2.05 -3.45 116.42 115.81 3bx5 h ASP 161 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 3bx5 h ASP 161 Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 3bx5 h ASP 161 CO -0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 3bx5 s GLU 163 N -0.06 4.32 0.00 0.00 8.01 -1.24 -4.76 118.70 124.97 3bx5 s GLU 163 Ca 0.00 2.24 0.06 0.00 0.01 0.00 0.00 54.97 57.28 3bx5 s GLU 163 Cb 0.00 -3.10 -0.02 0.00 -4.31 0.00 0.00 34.13 26.70 3bx5 s GLU 163 CO 0.00 -0.31 -0.19 -1.17 0.01 0.00 0.00 175.26 173.60 3bx5 s LEU 164 N -0.95 2.08 -0.00 1.80 1.98 -1.26 -0.44 118.68 121.88 3bx5 s LEU 164 Ca 0.55 -0.40 0.01 0.00 -2.89 0.00 0.00 54.13 51.40 3bx5 s LEU 164 Cb -0.40 -0.96 -0.00 0.00 0.66 0.00 0.00 46.19 45.49 3bx5 s LEU 164 CO 0.47 0.20 -0.03 -0.54 -1.89 0.00 0.00 176.35 174.56 3bx5 s LYS 165 N -0.67 0.30 0.15 1.98 1.02 1.00 -4.35 119.74 119.17 3bx5 s LYS 165 Ca 0.07 -0.12 -0.24 0.00 0.02 0.00 0.00 55.97 55.70 3bx5 s LYS 165 Cb -0.08 -0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 36.85 3bx5 s LYS 165 CO 0.00 0.07 0.74 0.42 -0.92 0.00 0.00 175.35 175.66 3bx5 s ILE 166 N -0.02 4.44 0.29 2.17 1.01 0.09 -0.95 121.20 128.23 3bx5 s ILE 166 Ca 0.01 1.62 0.07 0.00 0.00 0.00 0.00 60.65 62.34 3bx5 s ILE 166 Cb -0.02 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 3bx5 s ILE 166 CO -0.00 0.52 -0.05 -0.76 0.00 0.00 0.00 174.94 174.65 3bx5 s LEU 167 N -1.11 2.50 -1.91 2.97 1.43 -0.58 -1.35 118.68 120.64 3bx5 s LEU 167 Ca 0.35 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3bx5 s LEU 167 Cb -0.22 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.33 3bx5 s LEU 167 CO 0.25 -0.34 0.00 0.47 0.23 0.00 0.00 176.35 176.96 3bx5 n ASP 168 N -0.62 -5.38 -4.78 2.29 9.92 -1.26 -4.86 116.55 111.86 3bx5 n ASP 168 Ca -0.05 0.28 -0.33 0.00 -0.53 0.00 0.00 54.79 54.15 3bx5 n ASP 168 Cb 0.64 -4.65 0.02 0.00 -0.64 0.00 0.00 41.12 36.49 3bx5 n ASP 168 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3bx5 s PHE 169 N -2.81 2.74 -1.99 1.24 -0.12 -1.26 -4.02 117.98 111.75 3bx5 s PHE 169 Ca 0.00 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.42 3bx5 s PHE 169 Cb 0.00 -3.15 0.00 0.00 -0.63 0.00 0.00 43.02 39.24 3bx5 s PHE 169 CO 0.00 -1.48 0.00 0.41 -0.05 0.00 0.00 175.22 174.10 3bx5 n GLY 170 N -0.46 1.65 0.13 1.99 0.00 -1.16 -4.86 105.19 102.49 3bx5 n GLY 170 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3bx5 n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bx5 n LEU 171 N -2.31 1.95 -4.41 0.99 4.77 -1.26 -4.99 117.00 111.73 3bx5 n LEU 171 Ca -0.19 0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 3bx5 n LEU 171 Cb 0.63 -0.84 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3bx5 n LEU 171 CO 0.29 0.53 -0.04 0.00 -1.33 0.00 0.00 177.39 176.84 3bx5 n ALA 172 N -4.14 -2.02 -0.93 -1.18 0.00 -1.26 -4.53 120.51 106.44 3bx5 n ALA 172 Ca -0.52 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3bx5 n ALA 172 Cb 0.86 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3bx5 n ALA 172 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3bx5 n ARG 173 N 0.86 0.00 -0.61 0.00 0.63 -1.26 -4.98 116.66 111.29 3bx5 n ARG 173 Ca 0.12 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.15 3bx5 n ARG 173 Cb 0.37 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.64 3bx5 n ARG 173 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3bx5 n HIS 174 N 14.00 1.49 0.00 -0.14 8.25 -1.26 -5.18 115.22 132.37 3bx5 n HIS 174 Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 3bx5 n HIS 174 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 3bx5 n HIS 174 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3bx5 n THR 185 N 1.15 0.00 0.31 1.59 -1.04 -1.26 -5.06 114.28 109.97 3bx5 n THR 185 Ca 0.26 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.44 3bx5 n THR 185 Cb 0.88 0.00 0.73 0.00 -1.82 0.00 0.00 70.33 70.13 3bx5 n THR 185 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 3bx5 h ARG 186 N 0.00 0.00 -0.28 -2.82 0.11 -1.96 -3.03 114.38 106.39 3bx5 h ARG 186 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 3bx5 h ARG 186 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3bx5 h ARG 186 CO 0.00 0.00 0.20 -1.49 0.10 0.00 0.00 179.97 178.78 3bx5 h TRP 187 N 0.00 0.00 -0.02 4.08 6.55 -1.91 -2.15 115.95 122.50 3bx5 h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3bx5 h TRP 187 Cb 0.37 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 3bx5 h TRP 187 CO 0.00 0.00 -0.01 0.66 -1.05 0.00 0.00 178.44 178.04 3bx5 n TYR 188 N -4.45 0.00 -2.55 0.49 4.01 -1.15 -4.48 117.16 109.02 3bx5 n TYR 188 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 3bx5 n TYR 188 Cb 0.36 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 3bx5 n TYR 188 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3bx5 s ARG 189 N -1.21 4.57 0.37 -0.72 3.52 -0.81 -3.75 118.95 120.93 3bx5 s ARG 189 Ca 0.16 1.65 -0.28 0.00 -0.13 0.00 0.00 55.73 57.14 3bx5 s ARG 189 Cb 0.12 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 30.08 3bx5 s ARG 189 CO 0.19 0.01 1.42 0.00 -0.81 0.00 0.00 175.30 176.11 3bx5 s ALA 190 N 0.21 3.50 0.46 6.12 0.00 -1.26 -4.87 121.76 125.91 3bx5 s ALA 190 Ca 0.51 1.45 0.13 0.00 0.00 0.00 0.00 51.96 54.06 3bx5 s ALA 190 Cb -0.27 -3.56 1.03 0.00 0.00 0.00 0.00 23.12 20.31 3bx5 s ALA 190 CO 0.32 -0.93 2.03 -1.00 0.00 0.00 0.00 175.76 176.18 3bx5 h PRO 191 N 3.03 0.08 -0.11 0.00 0.14 -1.95 -1.83 132.00 131.35 3bx5 h PRO 191 Ca -0.50 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.63 3bx5 h PRO 191 Cb 1.24 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.36 3bx5 h PRO 191 CO 0.64 0.18 0.00 -0.85 0.14 0.00 0.00 178.00 178.11 3bx5 n GLU 192 N -4.39 0.32 0.00 0.86 0.00 -1.26 -1.24 120.64 114.93 3bx5 n GLU 192 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 3bx5 n GLU 192 Cb 0.19 -1.06 0.00 0.00 0.00 0.00 0.00 31.44 30.57 3bx5 n GLU 192 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3bx5 n ILE 193 N -0.21 0.00 0.00 3.84 5.41 -0.71 -3.97 119.36 123.72 3bx5 n ILE 193 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3bx5 n ILE 193 Cb 0.03 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 3bx5 n ILE 193 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 3bx5 n MET 194 N -2.74 0.00 -1.53 0.38 1.56 -0.37 -4.28 117.12 110.14 3bx5 n MET 194 Ca 0.00 0.07 -0.31 0.00 -0.27 0.00 0.00 57.70 57.19 3bx5 n MET 194 Cb 0.48 -0.87 -0.10 0.00 2.15 0.00 0.00 33.22 34.88 3bx5 n MET 194 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 3bx5 n LEU 195 N -0.44 1.03 0.00 -0.89 0.00 -0.73 -4.60 117.00 111.37 3bx5 n LEU 195 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 56.01 55.52 3bx5 n LEU 195 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 43.42 42.18 3bx5 n LEU 195 CO 0.00 -1.49 0.00 0.59 0.00 0.00 0.00 177.39 176.49 3bx5 n ASN 196 N 13.23 0.00 0.00 1.96 3.02 -1.26 -3.56 115.26 128.65 3bx5 n ASN 196 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 3bx5 n ASN 196 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 3bx5 n ASN 196 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3bx5 n TRP 197 N 0.00 0.00 0.57 3.10 -0.00 -1.26 -4.75 117.44 115.10 3bx5 n TRP 197 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3bx5 n TRP 197 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3bx5 n TRP 197 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 3bx5 n MET 198 N 0.00 0.57 0.00 5.87 2.81 -1.23 -4.84 117.12 120.30 3bx5 n MET 198 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3bx5 n MET 198 Cb 0.00 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3bx5 n MET 198 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3bx5 n HIS 199 N 0.67 -1.39 -1.37 2.03 8.25 -1.26 -4.79 115.22 117.36 3bx5 n HIS 199 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3bx5 n HIS 199 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3bx5 n HIS 199 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3bx5 n TYR 200 N -0.65 0.00 -1.73 4.41 4.11 -1.26 -4.69 117.16 117.34 3bx5 n TYR 200 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3bx5 n TYR 200 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3bx5 n TYR 200 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 3bx5 n ASN 201 N 0.50 0.00 0.22 9.48 0.23 -1.26 -5.02 115.26 119.41 3bx5 n ASN 201 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.20 3bx5 n ASN 201 Cb 0.00 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.20 3bx5 n ASN 201 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3bx5 h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -1.96 -3.03 115.11 109.36 3bx5 h GLN 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3bx5 h GLN 202 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3bx5 h GLN 202 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.17 3bx5 n THR 203 N -2.84 0.20 0.20 1.86 -2.24 -1.26 -1.17 114.28 109.04 3bx5 n THR 203 Ca 0.02 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 3bx5 n THR 203 Cb 0.36 -0.87 0.43 0.00 -2.10 0.00 0.00 70.33 68.14 3bx5 n THR 203 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3bx5 h VAL 204 N 0.00 0.90 0.09 2.28 3.04 -1.92 -2.42 116.25 118.22 3bx5 h VAL 204 Ca 0.00 -1.23 -0.26 0.00 -1.01 0.00 0.00 66.70 64.20 3bx5 h VAL 204 Cb 0.03 1.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3bx5 h VAL 204 CO 0.00 0.31 -1.16 0.44 -1.01 0.00 0.00 177.57 176.15 3bx5 h ASP 205 N 0.00 0.35 -0.61 3.17 3.32 -1.41 -3.21 116.42 118.03 3bx5 h ASP 205 Ca -0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 3bx5 h ASP 205 Cb 0.71 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3bx5 h ASP 205 CO 0.04 1.27 0.24 0.40 -1.72 0.00 0.00 179.24 179.47 3bx5 h ILE 206 N 0.07 1.23 -0.66 0.35 1.08 -1.57 -1.43 117.51 116.58 3bx5 h ILE 206 Ca -0.10 -0.74 0.03 0.00 -0.39 0.00 0.00 64.86 63.65 3bx5 h ILE 206 Cb 1.89 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 3bx5 h ILE 206 CO 0.19 0.29 0.41 -0.25 -0.69 0.00 0.00 178.15 178.10 3bx5 h TRP 207 N 0.93 0.76 -0.38 1.37 2.91 -1.52 0.53 115.95 120.56 3bx5 h TRP 207 Ca 0.22 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 3bx5 h TRP 207 Cb 0.21 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 3bx5 h TRP 207 CO 0.02 0.43 0.16 0.77 -1.03 0.00 0.00 178.44 178.79 3bx5 h SER 208 N 0.80 0.51 -0.54 2.65 0.02 -1.40 -1.12 113.55 114.47 3bx5 h SER 208 Ca 0.27 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3bx5 h SER 208 Cb 0.03 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3bx5 h SER 208 CO -0.11 0.53 0.30 0.58 -1.14 0.00 0.00 176.83 176.99 3bx5 h VAL 209 N 0.47 1.18 -0.26 2.27 2.07 -0.93 -0.17 116.25 120.88 3bx5 h VAL 209 Ca 0.13 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3bx5 h VAL 209 Cb 0.17 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3bx5 h VAL 209 CO -0.01 0.20 0.13 1.23 0.02 0.00 0.00 177.57 179.13 3bx5 h GLY 210 N 0.86 0.40 1.20 2.17 0.00 -0.27 0.92 103.07 108.35 3bx5 h GLY 210 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3bx5 h GLY 210 CO -0.03 0.19 0.25 0.00 0.00 0.00 0.00 176.54 176.94 3bx5 h ILE 212 N 0.99 1.33 -0.96 0.00 2.04 -0.74 -2.29 117.51 117.88 3bx5 h ILE 212 Ca 0.23 -1.03 0.10 0.00 1.00 0.00 0.00 64.86 65.16 3bx5 h ILE 212 Cb 0.22 1.91 -0.08 0.00 -0.74 0.00 0.00 36.82 38.14 3bx5 h ILE 212 CO -0.02 0.28 0.60 -0.03 0.00 0.00 0.00 178.15 178.98 3bx5 h MET 213 N -0.28 0.97 -0.17 2.37 4.05 -0.75 -0.32 114.93 120.80 3bx5 h MET 213 Ca 0.01 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3bx5 h MET 213 Cb 0.46 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 3bx5 h MET 213 CO 0.01 0.64 0.09 0.00 0.23 0.00 0.00 176.91 177.88 3bx5 h ALA 214 N 1.50 0.21 -0.54 0.39 0.00 -1.35 -1.61 119.26 117.86 3bx5 h ALA 214 Ca 0.46 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3bx5 h ALA 214 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3bx5 h ALA 214 CO -0.24 -0.26 0.35 1.49 0.00 0.00 0.00 179.25 180.59 3bx5 h GLU 215 N 0.17 0.69 -0.94 0.00 4.81 -0.70 -1.74 114.58 116.87 3bx5 h GLU 215 Ca 0.06 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3bx5 h GLU 215 Cb 0.06 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3bx5 h GLU 215 CO -0.01 0.45 0.63 -0.07 -0.73 0.00 0.00 179.01 179.28 3bx5 h LEU 216 N 0.71 1.08 -0.13 1.64 3.38 -0.82 0.98 115.31 122.14 3bx5 h LEU 216 Ca 0.20 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 3bx5 h LEU 216 Cb -0.06 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.43 3bx5 h LEU 216 CO -0.05 0.78 -0.68 -0.07 0.09 0.00 0.00 178.44 178.51 3bx5 h LEU 217 N 1.27 0.83 0.02 1.67 3.38 -0.99 -1.62 115.31 119.88 3bx5 h LEU 217 Ca 0.35 -0.64 -0.35 0.00 0.09 0.00 0.00 57.88 57.34 3bx5 h LEU 217 Cb -0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.31 3bx5 h LEU 217 CO -0.08 1.33 -2.11 0.35 0.09 0.00 0.00 178.44 178.02 3bx5 n THR 218 N -4.05 1.55 -0.38 0.22 -2.24 -0.68 -4.68 114.28 104.02 3bx5 n THR 218 Ca -0.08 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3bx5 n THR 218 Cb 0.69 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3bx5 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bx5 n GLY 219 N 1.82 0.74 3.31 3.38 0.00 0.34 -4.71 105.19 110.07 3bx5 n GLY 219 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3bx5 n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bx5 s ARG 220 N -0.62 1.19 -0.04 1.61 1.81 -1.22 -4.84 118.95 116.84 3bx5 s ARG 220 Ca 0.00 -1.24 -0.29 0.00 -1.72 0.00 0.00 55.73 52.47 3bx5 s ARG 220 Cb 0.00 -1.42 -0.08 0.00 -0.45 0.00 0.00 34.95 33.01 3bx5 s ARG 220 CO 0.00 0.32 2.00 0.99 -0.68 0.00 0.00 175.30 177.93 3bx5 s THR 221 N -1.39 3.07 0.13 0.02 2.01 -1.26 -4.06 115.64 114.16 3bx5 s THR 221 Ca 0.10 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.97 3bx5 s THR 221 Cb -0.09 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 3bx5 s THR 221 CO 0.05 -0.02 1.68 0.25 -0.69 0.00 0.00 174.62 175.90 3bx5 h LEU 222 N 11.74 -0.35 -6.86 4.42 5.85 -1.91 -3.35 115.31 124.84 3bx5 h LEU 222 Ca -0.46 0.08 -0.61 0.00 0.84 0.00 0.00 57.88 57.73 3bx5 h LEU 222 Cb 1.23 0.19 -0.40 0.00 0.37 0.00 0.00 40.66 42.05 3bx5 h LEU 222 CO 0.95 -0.14 -0.74 -0.36 -0.34 0.00 0.00 178.44 177.81 3bx5 s PHE 223 N -6.18 2.42 -1.53 1.25 0.08 -1.26 -5.03 117.98 107.74 3bx5 s PHE 223 Ca -0.14 -2.80 -0.12 0.00 0.12 0.00 0.00 56.93 53.99 3bx5 s PHE 223 Cb 0.11 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3bx5 s PHE 223 CO 0.68 -0.70 2.55 -0.35 -0.10 0.00 0.00 175.22 177.31 3bx5 n PRO 224 N 2.67 3.29 -1.61 0.24 -0.04 -1.26 -4.49 135.00 133.81 3bx5 n PRO 224 Ca 0.19 -2.47 -0.40 0.00 -0.04 0.00 0.00 63.50 60.79 3bx5 n PRO 224 Cb 0.38 -3.05 0.03 0.00 -0.04 0.00 0.00 33.50 30.82 3bx5 n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bx5 n GLY 225 N 3.78 -0.29 0.03 0.55 0.00 -1.26 -4.94 105.19 103.06 3bx5 n GLY 225 Ca 0.64 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.79 3bx5 n GLY 225 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bx5 n THR 226 N -1.00 0.13 -3.96 2.61 -1.04 -1.26 -4.89 114.28 104.87 3bx5 n THR 226 Ca 0.11 -0.38 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 3bx5 n THR 226 Cb 0.43 0.14 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 3bx5 n THR 226 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3bx5 n ASP 227 N -2.15 -0.50 -0.32 8.00 5.68 -1.26 -4.97 116.55 121.03 3bx5 n ASP 227 Ca -0.01 -1.07 0.01 0.00 -0.50 0.00 0.00 54.79 53.22 3bx5 n ASP 227 Cb 0.50 0.77 0.18 0.00 -1.14 0.00 0.00 41.12 41.43 3bx5 n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3bx5 h HIS 228 N 1.44 1.13 0.21 2.11 3.86 -1.98 0.23 115.15 122.14 3bx5 h HIS 228 Ca -0.09 0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 58.86 3bx5 h HIS 228 Cb 0.52 -0.38 0.03 0.00 1.06 0.00 0.00 27.41 28.65 3bx5 h HIS 228 CO 0.00 0.67 -1.24 0.82 0.86 0.00 0.00 177.93 179.04 3bx5 h ILE 229 N 1.18 1.36 -0.47 2.45 2.04 -1.99 -2.60 117.51 119.48 3bx5 h ILE 229 Ca 0.36 -2.62 -0.07 0.00 1.00 0.00 0.00 64.86 63.53 3bx5 h ILE 229 Cb -0.02 3.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 3bx5 h ILE 229 CO -0.10 0.77 0.02 -0.78 0.00 0.00 0.00 178.15 178.06 3bx5 h ASP 230 N -0.01 0.72 0.48 1.72 3.58 -1.91 -1.71 116.42 119.29 3bx5 h ASP 230 Ca -0.21 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 3bx5 h ASP 230 Cb 1.97 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.84 3bx5 h ASP 230 CO 0.23 0.78 -0.23 -0.61 -2.88 0.00 0.00 179.24 176.53 3bx5 h GLN 231 N 0.72 -0.62 -0.51 0.28 5.75 -0.60 -1.35 115.11 118.78 3bx5 h GLN 231 Ca 0.14 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.77 3bx5 h GLN 231 Cb 0.41 0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.04 3bx5 h GLN 231 CO 0.02 -0.38 0.12 1.25 -2.65 0.00 0.00 178.83 177.19 3bx5 h LEU 232 N -0.72 0.04 -1.06 -2.39 5.85 -1.39 -1.01 115.31 114.64 3bx5 h LEU 232 Ca -0.07 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3bx5 h LEU 232 Cb 0.53 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 3bx5 h LEU 232 CO 0.11 0.05 0.62 0.50 -0.34 0.00 0.00 178.44 179.38 3bx5 h LYS 233 N 0.27 0.90 -0.30 1.25 3.64 -1.01 -0.86 116.57 120.45 3bx5 h LYS 233 Ca 0.25 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 3bx5 h LYS 233 Cb 0.33 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3bx5 h LYS 233 CO -0.32 0.60 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.14 3bx5 h LEU 234 N 0.93 0.60 -0.16 5.20 3.38 -0.05 -2.86 115.31 122.34 3bx5 h LEU 234 Ca 0.49 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3bx5 h LEU 234 Cb 0.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3bx5 h LEU 234 CO -0.26 0.84 -0.28 0.40 0.09 0.00 0.00 178.44 179.23 3bx5 h ILE 235 N 0.51 1.35 -0.82 1.22 2.04 -0.56 -3.22 117.51 118.05 3bx5 h ILE 235 Ca 0.07 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 3bx5 h ILE 235 Cb 0.71 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 3bx5 h ILE 235 CO 0.05 0.45 0.40 -0.07 0.00 0.00 0.00 178.15 178.99 3bx5 h LEU 236 N 0.11 1.06 -1.12 1.44 3.38 -1.35 0.29 115.31 119.13 3bx5 h LEU 236 Ca 0.01 -0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.05 3bx5 h LEU 236 Cb 0.86 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 3bx5 h LEU 236 CO 0.06 0.89 0.61 -0.09 0.09 0.00 0.00 178.44 180.01 3bx5 h ARG 237 N 1.16 0.69 0.00 1.13 2.43 -1.52 1.52 114.38 119.80 3bx5 h ARG 237 Ca 0.28 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3bx5 h ARG 237 Cb 0.11 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3bx5 h ARG 237 CO -0.04 0.45 -0.45 1.25 -1.51 0.00 0.00 179.97 179.68 3bx5 h LEU 238 N 0.71 0.00 -0.02 3.80 5.85 -1.36 -3.40 115.31 120.88 3bx5 h LEU 238 Ca 0.55 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3bx5 h LEU 238 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3bx5 h LEU 238 CO -0.33 0.80 -0.25 1.33 -0.34 0.00 0.00 178.44 179.66 3bx5 n VAL 239 N -4.63 0.00 0.00 1.05 0.24 0.96 -0.92 118.33 115.03 3bx5 n VAL 239 Ca -0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3bx5 n VAL 239 Cb 0.27 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 3bx5 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bx5 n GLY 240 N 1.48 -1.08 3.76 7.63 0.00 0.52 -4.21 105.19 113.29 3bx5 n GLY 240 Ca 0.07 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 3bx5 n GLY 240 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bx5 s THR 241 N -2.41 2.69 0.23 2.61 2.01 0.22 -4.65 115.64 116.35 3bx5 s THR 241 Ca 0.00 0.49 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 3bx5 s THR 241 Cb 0.00 -3.24 -0.12 0.00 0.01 0.00 0.00 72.50 69.16 3bx5 s THR 241 CO 0.00 -0.03 1.66 -2.84 -0.69 0.00 0.00 174.62 172.72 3bx5 s PRO 242 N -2.92 4.13 0.78 4.92 0.02 -1.26 -4.91 135.00 135.77 3bx5 s PRO 242 Ca 0.69 2.57 -0.10 0.00 0.02 0.00 0.00 61.00 64.18 3bx5 s PRO 242 Cb -0.32 -3.06 0.17 0.00 0.02 0.00 0.00 34.50 31.31 3bx5 s PRO 242 CO 0.38 -0.69 1.06 0.41 -0.33 0.00 0.00 177.00 177.83 3bx5 n GLY 243 N 3.32 -0.84 0.26 0.52 0.00 -1.26 -4.81 105.19 102.38 3bx5 n GLY 243 Ca 0.13 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 3bx5 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx5 h ALA 244 N -1.47 0.75 -0.38 4.61 0.00 -1.99 -0.34 119.26 120.45 3bx5 h ALA 244 Ca -0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3bx5 h ALA 244 Cb 1.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3bx5 h ALA 244 CO 0.27 0.39 0.19 1.49 0.00 0.00 0.00 179.25 181.59 3bx5 h GLU 245 N 0.80 0.53 0.01 0.00 4.57 -2.00 -1.61 114.58 116.88 3bx5 h GLU 245 Ca 0.19 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3bx5 h GLU 245 Cb 0.24 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3bx5 h GLU 245 CO -0.01 0.41 -0.14 1.25 -1.18 0.00 0.00 179.01 179.34 3bx5 h LEU 246 N 0.53 0.11 -2.03 1.64 5.85 -1.81 -3.27 115.31 116.33 3bx5 h LEU 246 Ca 0.14 -0.82 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 3bx5 h LEU 246 Cb 0.05 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3bx5 h LEU 246 CO -0.02 0.92 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.86 3bx5 h LEU 247 N -0.68 0.00 -1.88 2.25 3.38 -0.97 -0.76 115.31 116.65 3bx5 h LEU 247 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3bx5 h LEU 247 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3bx5 h LEU 247 CO 0.03 0.07 -0.09 0.11 0.09 0.00 0.00 178.44 178.65 3bx5 h LYS 248 N 0.00 0.00 -0.22 1.13 1.57 -1.34 -2.04 116.57 115.68 3bx5 h LYS 248 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bx5 h LYS 248 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3bx5 h LYS 248 CO 0.01 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 180.61 3bx5 n LYS 249 N -4.32 2.06 -2.90 3.15 5.02 -0.30 -4.86 118.16 116.01 3bx5 n LYS 249 Ca -0.03 -1.58 -0.43 0.00 -2.02 0.00 0.00 58.31 54.25 3bx5 n LYS 249 Cb 0.17 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 3bx5 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bx5 s ILE 250 N -1.73 4.46 0.01 -0.18 1.01 -0.77 -4.88 121.20 119.12 3bx5 s ILE 250 Ca 0.34 -0.07 0.31 0.00 0.00 0.00 0.00 60.65 61.24 3bx5 s ILE 250 Cb 0.20 -4.54 0.38 0.00 0.01 0.00 0.00 42.46 38.50 3bx5 s ILE 250 CO 0.29 -1.17 1.91 0.77 0.00 0.00 0.00 174.94 176.74 3bx5 h SER 251 N 9.34 0.00 -3.29 3.58 4.64 -1.88 -3.42 113.55 122.52 3bx5 h SER 251 Ca -0.27 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.48 3bx5 h SER 251 Cb 1.08 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.08 3bx5 h SER 251 CO 1.10 0.01 0.89 -0.55 -0.87 0.00 0.00 176.83 177.41 3bx5 s SER 252 N -5.80 6.46 0.35 4.97 0.15 -1.26 -4.89 113.70 113.68 3bx5 s SER 252 Ca 0.02 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.79 3bx5 s SER 252 Cb 0.08 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.51 3bx5 s SER 252 CO 0.57 -1.40 1.99 -0.08 1.20 0.00 0.00 173.24 175.52 3bx5 h GLU 253 N 9.45 0.83 0.24 5.44 4.81 -2.00 -1.80 114.58 131.55 3bx5 h GLU 253 Ca -0.25 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3bx5 h GLU 253 Cb 1.06 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3bx5 h GLU 253 CO 1.16 0.55 -0.35 0.77 -0.73 0.00 0.00 179.01 180.40 3bx5 h SER 254 N 0.85 -1.00 -0.76 1.04 0.02 -1.97 -2.87 113.55 108.85 3bx5 h SER 254 Ca 0.27 0.09 0.15 0.00 -0.84 0.00 0.00 61.79 61.46 3bx5 h SER 254 Cb 0.02 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 3bx5 h SER 254 CO -0.07 -0.42 0.29 0.00 -1.14 0.00 0.00 176.83 175.49 3bx5 h ALA 255 N -1.06 1.08 0.00 3.77 0.00 -1.85 0.45 119.26 121.65 3bx5 h ALA 255 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bx5 h ALA 255 Cb 0.56 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3bx5 h ALA 255 CO -0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 179.25 178.91 3bx5 h ARG 256 N 0.42 0.00 0.16 0.00 3.08 -1.17 -2.03 114.38 114.84 3bx5 h ARG 256 Ca 0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 3bx5 h ARG 256 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3bx5 h ARG 256 CO -0.43 0.00 -0.08 -0.91 -1.07 0.00 0.00 179.97 177.49 3bx5 h ASN 257 N 0.00 -0.18 0.04 7.04 4.21 -0.69 -2.60 115.58 123.39 3bx5 h ASN 257 Ca -0.00 -0.13 0.01 0.00 1.21 0.00 0.00 56.30 57.39 3bx5 h ASN 257 Cb 0.01 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 3bx5 h ASN 257 CO 0.00 0.34 -0.25 0.22 -1.29 0.00 0.00 177.43 176.45 3bx5 h TYR 258 N -1.03 -0.74 -0.37 1.19 5.03 -1.38 -1.47 116.97 118.20 3bx5 h TYR 258 Ca -0.02 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.35 3bx5 h TYR 258 Cb 0.30 0.32 -0.07 0.00 1.55 0.00 0.00 36.73 38.83 3bx5 h TYR 258 CO 0.04 -0.28 -0.48 0.82 -1.32 0.00 0.00 178.16 176.93 3bx5 h ILE 259 N -0.35 0.00 0.00 1.81 2.04 -1.54 -0.24 117.51 119.24 3bx5 h ILE 259 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3bx5 h ILE 259 Cb 0.36 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3bx5 h ILE 259 CO -0.15 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.67 3bx5 n GLN 260 N -4.98 0.02 -0.09 2.37 7.27 -0.98 -2.89 117.38 118.10 3bx5 n GLN 260 Ca -0.03 0.37 -0.08 0.00 0.07 0.00 0.00 57.00 57.33 3bx5 n GLN 260 Cb 0.29 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 31.28 3bx5 n GLN 260 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3bx5 n SER 261 N -1.45 0.04 -4.81 1.69 3.41 -0.17 -5.00 113.62 107.33 3bx5 n SER 261 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.33 3bx5 n SER 261 Cb 0.06 1.11 0.09 0.00 -0.26 0.00 0.00 64.21 65.21 3bx5 n SER 261 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3bx5 s LEU 262 N -5.37 2.57 0.07 1.04 0.05 -0.75 -4.94 118.68 111.36 3bx5 s LEU 262 Ca -0.10 1.28 -0.33 0.00 0.05 0.00 0.00 54.13 55.03 3bx5 s LEU 262 Cb 0.07 -3.88 -0.12 0.00 -2.05 0.00 0.00 46.19 40.21 3bx5 s LEU 262 CO 0.83 -1.98 1.78 1.07 -0.55 0.00 0.00 176.35 177.50 3bx5 n THR 263 N -3.44 0.34 -1.89 5.48 5.66 -1.26 -4.89 114.28 114.27 3bx5 n THR 263 Ca 0.07 -0.06 -0.42 0.00 -3.05 0.00 0.00 64.05 60.59 3bx5 n THR 263 Cb 0.56 -1.88 -0.03 0.00 -1.55 0.00 0.00 70.33 67.43 3bx5 n THR 263 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3bx5 s GLN 264 N 2.65 4.18 -0.06 1.09 -0.21 -1.26 -4.94 119.66 121.11 3bx5 s GLN 264 Ca 0.84 2.36 0.04 0.00 0.02 0.00 0.00 55.36 58.62 3bx5 s GLN 264 Cb -0.60 -3.81 -0.02 0.00 1.00 0.00 0.00 33.01 29.58 3bx5 s GLN 264 CO 0.42 -0.81 -0.16 -1.64 -2.12 0.00 0.00 175.29 170.98 3bx5 s MET 265 N 3.37 2.60 0.51 2.91 -1.94 -1.26 -4.97 119.30 120.52 3bx5 s MET 265 Ca 0.77 -0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 53.93 3bx5 s MET 265 Cb -0.39 -2.37 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 3bx5 s MET 265 CO 0.33 0.54 0.88 -1.25 -0.01 0.00 0.00 175.02 175.51 3bx5 s PRO 266 N -0.53 3.65 0.36 2.03 0.04 -1.26 0.72 135.00 140.01 3bx5 s PRO 266 Ca 0.07 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.35 3bx5 s PRO 266 Cb -0.12 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 3bx5 s PRO 266 CO 0.01 -0.29 1.18 0.21 0.04 0.00 0.00 177.00 178.15 3bx5 s LYS 267 N -4.61 4.24 0.47 4.56 2.20 -1.26 -3.93 119.74 121.41 3bx5 s LYS 267 Ca 0.52 1.89 -0.00 0.00 -0.36 0.00 0.00 55.97 58.02 3bx5 s LYS 267 Cb -0.10 -2.86 -0.00 0.00 -1.51 0.00 0.00 37.83 33.35 3bx5 s LYS 267 CO 0.43 -0.17 0.70 -1.64 -0.36 0.00 0.00 175.35 174.31 3bx5 s MET 268 N -2.02 3.06 -0.58 4.03 -1.94 -0.10 -4.88 119.30 116.87 3bx5 s MET 268 Ca 0.53 -0.42 -0.25 0.00 -1.71 0.00 0.00 55.69 53.84 3bx5 s MET 268 Cb -0.32 -2.52 0.04 0.00 2.01 0.00 0.00 34.83 34.03 3bx5 s MET 268 CO 0.41 -0.32 1.00 1.21 -0.01 0.00 0.00 175.02 177.32 3bx5 s ASN 269 N -4.22 6.33 0.28 3.03 3.84 -1.26 -4.90 114.94 118.03 3bx5 s ASN 269 Ca 0.49 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 53.21 3bx5 s ASN 269 Cb -0.10 -2.46 0.59 0.00 -0.55 0.00 0.00 41.25 38.73 3bx5 s ASN 269 CO 0.39 -1.32 1.78 -0.26 -2.79 0.00 0.00 177.10 174.90 3bx5 h PHE 270 N 9.41 0.92 -0.45 0.43 -1.00 -1.95 0.62 116.94 124.93 3bx5 h PHE 270 Ca -0.26 0.03 0.13 0.00 2.81 0.00 0.00 57.97 60.68 3bx5 h PHE 270 Cb 1.07 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.34 3bx5 h PHE 270 CO 0.95 0.25 0.38 0.00 -1.61 0.00 0.00 178.31 178.27 3bx5 h ALA 271 N 1.58 2.27 0.02 2.45 0.00 -1.90 0.42 119.26 124.10 3bx5 h ALA 271 Ca 0.50 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 55.12 3bx5 h ALA 271 Cb 0.68 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3bx5 h ALA 271 CO -0.35 -0.61 -1.51 -0.91 0.00 0.00 0.00 179.25 175.88 3bx5 h ASN 272 N 0.00 0.06 0.52 0.00 2.35 -0.20 -3.31 115.58 114.99 3bx5 h ASN 272 Ca 0.21 -0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.59 3bx5 h ASN 272 Cb 0.97 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.33 3bx5 h ASN 272 CO -0.00 1.08 -1.22 0.58 -1.65 0.00 0.00 177.43 176.22 3bx5 h VAL 273 N 0.01 1.45 -2.09 2.81 2.07 0.10 -3.35 116.25 117.24 3bx5 h VAL 273 Ca -0.21 -2.89 -0.73 0.00 0.82 0.00 0.00 66.70 63.69 3bx5 h VAL 273 Cb 1.95 2.86 -0.32 0.00 -1.52 0.00 0.00 31.29 34.26 3bx5 h VAL 273 CO 0.10 0.85 0.47 0.49 0.02 0.00 0.00 177.57 179.50 3bx5 n PHE 274 N -3.60 3.18 -1.73 1.57 3.72 0.13 -5.05 117.46 115.68 3bx5 n PHE 274 Ca -0.09 -2.86 -0.42 0.00 -0.05 0.00 0.00 57.45 54.02 3bx5 n PHE 274 Cb 1.00 -0.90 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 3bx5 n PHE 274 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3bx5 n ILE 275 N -0.28 0.93 -0.82 4.37 -5.35 -1.25 -2.41 119.36 114.56 3bx5 n ILE 275 Ca 0.45 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.69 3bx5 n ILE 275 Cb 0.33 -1.85 0.00 0.00 -1.74 0.00 0.00 39.64 36.38 3bx5 n ILE 275 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bx5 n GLY 276 N 2.28 1.33 3.84 3.28 0.00 -1.26 -5.02 105.19 109.64 3bx5 n GLY 276 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3bx5 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx5 s ALA 277 N -3.79 3.05 -0.17 4.61 0.00 -1.01 -4.93 121.76 119.53 3bx5 s ALA 277 Ca 0.00 0.22 -0.37 0.00 0.00 0.00 0.00 51.96 51.81 3bx5 s ALA 277 Cb 0.00 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 3bx5 s ALA 277 CO 0.00 -0.20 1.79 -1.71 0.00 0.00 0.00 175.76 175.65 3bx5 n ASN 278 N -1.45 2.89 0.19 0.00 4.05 -1.26 -4.79 115.26 114.88 3bx5 n ASN 278 Ca 0.07 1.03 0.13 0.00 0.45 0.00 0.00 54.58 56.25 3bx5 n ASN 278 Cb 0.54 -1.26 0.68 0.00 1.23 0.00 0.00 39.78 40.98 3bx5 n ASN 278 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3bx5 h PRO 279 N 8.04 0.00 -0.65 1.20 0.13 -1.95 0.80 132.00 139.57 3bx5 h PRO 279 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3bx5 h PRO 279 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 3bx5 h PRO 279 CO 0.95 0.00 0.35 -0.07 -0.23 0.00 0.00 178.00 178.99 3bx5 h LEU 280 N 0.00 0.80 -0.37 1.56 3.38 -2.00 -0.35 115.31 118.34 3bx5 h LEU 280 Ca 0.08 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3bx5 h LEU 280 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3bx5 h LEU 280 CO -0.00 0.66 -0.04 0.00 0.09 0.00 0.00 178.44 179.15 3bx5 h ALA 281 N 1.48 0.50 -0.77 1.53 0.00 -1.22 -2.42 119.26 118.35 3bx5 h ALA 281 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3bx5 h ALA 281 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3bx5 h ALA 281 CO -0.04 0.30 0.43 0.28 0.00 0.00 0.00 179.25 180.22 3bx5 h VAL 282 N 0.48 1.23 -0.43 0.00 2.07 -0.59 0.06 116.25 119.07 3bx5 h VAL 282 Ca 0.10 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3bx5 h VAL 282 Cb 0.52 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3bx5 h VAL 282 CO 0.03 0.26 -0.04 -0.78 0.02 0.00 0.00 177.57 177.05 3bx5 h ASP 283 N 1.07 0.69 -0.13 0.57 1.82 -1.03 -0.34 116.42 119.07 3bx5 h ASP 283 Ca 0.27 -0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 3bx5 h ASP 283 Cb 0.03 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 3bx5 h ASP 283 CO -0.04 0.79 -0.10 0.25 -1.61 0.00 0.00 179.24 178.52 3bx5 h LEU 284 N 0.66 0.31 -1.79 2.28 5.85 -0.91 -2.59 115.31 119.13 3bx5 h LEU 284 Ca 0.13 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.49 3bx5 h LEU 284 Cb 0.48 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3bx5 h LEU 284 CO 0.02 0.71 0.35 -0.07 -0.34 0.00 0.00 178.44 179.12 3bx5 h LEU 285 N -0.08 0.21 -0.65 2.25 4.07 -0.73 0.45 115.31 120.84 3bx5 h LEU 285 Ca 0.02 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 3bx5 h LEU 285 Cb 0.61 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 3bx5 h LEU 285 CO 0.03 0.13 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.06 3bx5 h GLU 286 N 0.24 0.93 0.00 1.13 4.39 -0.81 -1.97 114.58 118.49 3bx5 h GLU 286 Ca 0.24 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3bx5 h GLU 286 Cb 0.64 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3bx5 h GLU 286 CO -0.05 0.99 0.00 0.87 -1.16 0.00 0.00 179.01 179.67 3bx5 h LYS 287 N 0.82 0.00 0.01 2.33 6.56 -0.54 -3.29 116.57 122.46 3bx5 h LYS 287 Ca 0.13 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.35 3bx5 h LYS 287 Cb 0.66 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.26 3bx5 h LYS 287 CO 0.05 0.00 -2.30 -1.33 -2.06 0.00 0.00 179.45 173.81 3bx5 n MET 288 N -2.94 0.68 -1.31 3.15 2.81 -0.89 -1.53 117.12 117.08 3bx5 n MET 288 Ca 0.02 0.10 -0.25 0.00 -1.81 0.00 0.00 57.70 55.76 3bx5 n MET 288 Cb 0.37 -1.57 -0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3bx5 n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3bx5 n LEU 289 N -3.01 6.69 -4.84 4.03 4.32 -0.75 -4.31 117.00 119.12 3bx5 n LEU 289 Ca -0.35 -3.90 -0.36 0.00 -0.02 0.00 0.00 56.01 51.38 3bx5 n LEU 289 Cb 1.08 -1.13 -0.07 0.00 -1.62 0.00 0.00 43.42 41.68 3bx5 n LEU 289 CO 0.38 1.54 -0.20 0.68 -1.22 0.00 0.00 177.39 178.57 3bx5 s VAL 290 N -2.77 5.27 0.22 4.08 -7.23 -1.26 -4.83 120.40 113.88 3bx5 s VAL 290 Ca 0.50 0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.70 3bx5 s VAL 290 Cb 0.35 -3.29 0.11 0.00 0.56 0.00 0.00 36.38 34.11 3bx5 s VAL 290 CO -0.14 0.60 1.72 -0.07 -0.31 0.00 0.00 175.10 176.90 3bx5 h LEU 291 N 4.94 0.95 -8.61 1.32 3.38 -1.91 -3.41 115.31 111.95 3bx5 h LEU 291 Ca -0.54 -0.23 -0.55 0.00 0.09 0.00 0.00 57.88 56.66 3bx5 h LEU 291 Cb 1.22 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 3bx5 h LEU 291 CO 0.58 0.96 1.08 -0.62 0.09 0.00 0.00 178.44 180.53 3bx5 s ASP 292 N -6.56 6.20 0.28 -0.43 -1.08 -1.26 -4.80 116.67 109.02 3bx5 s ASP 292 Ca -0.11 0.32 0.18 0.00 -0.52 0.00 0.00 52.55 52.43 3bx5 s ASP 292 Cb 0.15 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 40.05 3bx5 s ASP 292 CO 0.84 -1.64 1.55 -1.54 0.52 0.00 0.00 175.17 174.89 3bx5 n SER 293 N 9.32 0.47 0.02 -0.34 3.41 -1.26 -0.69 113.62 124.54 3bx5 n SER 293 Ca 0.12 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 3bx5 n SER 293 Cb 0.49 -0.77 0.23 0.00 -0.26 0.00 0.00 64.21 63.90 3bx5 n SER 293 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3bx5 n ASP 294 N -2.14 0.54 -0.00 4.04 8.00 -1.26 -3.90 116.55 121.82 3bx5 n ASP 294 Ca -0.01 -0.14 0.08 0.00 0.71 0.00 0.00 54.79 55.43 3bx5 n ASP 294 Cb 0.05 0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.28 3bx5 n ASP 294 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bx5 n LYS 295 N -1.67 1.04 -1.91 -1.24 4.01 0.13 -4.97 118.16 113.55 3bx5 n LYS 295 Ca 0.05 -0.06 -0.38 0.00 -0.51 0.00 0.00 58.31 57.40 3bx5 n LYS 295 Cb 0.37 -1.35 0.02 0.00 -0.51 0.00 0.00 35.03 33.56 3bx5 n LYS 295 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3bx5 s ARG 296 N -2.85 3.46 0.53 1.97 3.52 -1.08 -4.97 118.95 119.54 3bx5 s ARG 296 Ca 0.02 2.17 -0.20 0.00 -0.13 0.00 0.00 55.73 57.59 3bx5 s ARG 296 Cb 0.12 -2.42 -0.07 0.00 -1.56 0.00 0.00 34.95 31.03 3bx5 s ARG 296 CO 0.71 -0.91 1.09 -1.50 -0.81 0.00 0.00 175.30 173.89 3bx5 s ILE 297 N -1.33 3.40 0.62 4.11 2.07 -0.58 -5.04 121.20 124.46 3bx5 s ILE 297 Ca 0.66 0.86 -0.02 0.00 -1.41 0.00 0.00 60.65 60.75 3bx5 s ILE 297 Cb -0.38 -3.34 0.05 0.00 0.13 0.00 0.00 42.46 38.92 3bx5 s ILE 297 CO 0.47 -0.20 0.88 0.42 -1.91 0.00 0.00 174.94 174.60 3bx5 s THR 298 N -1.88 2.47 0.15 4.00 -4.23 -1.26 -4.89 115.64 110.01 3bx5 s THR 298 Ca 0.70 -0.51 -0.13 0.00 -1.18 0.00 0.00 61.69 60.58 3bx5 s THR 298 Cb -0.21 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.69 3bx5 s THR 298 CO 0.25 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.95 3bx5 h ALA 299 N -0.24 0.67 -0.33 3.99 0.00 -1.93 0.36 119.26 121.77 3bx5 h ALA 299 Ca -0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3bx5 h ALA 299 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3bx5 h ALA 299 CO 0.54 0.44 0.09 0.00 0.00 0.00 0.00 179.25 180.31 3bx5 h ALA 300 N 0.95 0.43 -0.44 0.00 0.00 -1.93 -1.60 119.26 116.67 3bx5 h ALA 300 Ca 0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3bx5 h ALA 300 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3bx5 h ALA 300 CO 0.02 0.10 0.01 1.96 0.00 0.00 0.00 179.25 181.33 3bx5 h GLN 301 N 0.38 0.78 -0.90 0.00 4.20 -1.90 -3.03 115.11 114.63 3bx5 h GLN 301 Ca 0.10 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.64 3bx5 h GLN 301 Cb 0.29 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 3bx5 h GLN 301 CO 0.00 0.84 0.58 0.00 -0.67 0.00 0.00 178.83 179.58 3bx5 h ALA 302 N 0.91 1.52 -0.03 3.87 0.00 -0.11 -1.33 119.26 124.10 3bx5 h ALA 302 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3bx5 h ALA 302 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bx5 h ALA 302 CO 0.02 0.34 0.05 -0.07 0.00 0.00 0.00 179.25 179.59 3bx5 h LEU 303 N 1.01 0.00 -1.70 0.00 3.38 -1.16 0.48 115.31 117.33 3bx5 h LEU 303 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3bx5 h LEU 303 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3bx5 h LEU 303 CO -0.15 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.38 3bx5 n ALA 304 N -2.22 2.48 -2.19 1.53 0.00 -0.51 -4.73 120.51 114.88 3bx5 n ALA 304 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 3bx5 n ALA 304 Cb 0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 3bx5 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3bx5 s HIS 305 N -1.86 3.29 0.53 0.00 5.04 0.16 -4.87 115.29 117.57 3bx5 s HIS 305 Ca 0.33 1.07 0.44 0.00 -1.54 0.00 0.00 55.06 55.36 3bx5 s HIS 305 Cb 0.21 -3.62 1.65 0.00 0.04 0.00 0.00 32.58 30.86 3bx5 s HIS 305 CO 0.31 -2.08 1.63 0.00 -2.34 0.00 0.00 174.74 172.25 3bx5 h ALA 306 N 6.54 3.52 -0.26 1.58 0.00 -1.91 0.29 119.26 129.03 3bx5 h ALA 306 Ca -0.42 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3bx5 h ALA 306 Cb 1.21 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3bx5 h ALA 306 CO 0.84 -2.06 0.39 -0.92 0.00 0.00 0.00 179.25 177.50 3bx5 h TYR 307 N 0.02 0.00 -0.41 0.00 3.20 -1.89 0.75 116.97 118.63 3bx5 h TYR 307 Ca 0.85 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.72 3bx5 h TYR 307 Cb 3.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 41.54 3bx5 h TYR 307 CO -0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 3bx5 n PHE 308 N -3.47 1.18 -0.33 -3.82 3.72 0.10 -4.71 117.46 110.14 3bx5 n PHE 308 Ca 0.04 -0.73 0.26 0.00 -0.05 0.00 0.00 57.45 56.96 3bx5 n PHE 308 Cb 0.52 -0.29 0.49 0.00 -0.94 0.00 0.00 39.48 39.26 3bx5 n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bx5 h ALA 309 N 2.70 1.92 0.00 4.37 0.00 -0.96 -0.19 119.26 127.09 3bx5 h ALA 309 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3bx5 h ALA 309 Cb 1.42 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3bx5 h ALA 309 CO 0.24 -0.74 0.00 -0.56 0.00 0.00 0.00 179.25 178.19 3bx5 h GLN 310 N 0.14 0.00 0.00 0.00 3.07 -1.84 -3.36 115.11 113.12 3bx5 h GLN 310 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.50 3bx5 h GLN 310 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.40 3bx5 h GLN 310 CO -0.71 0.00 -0.99 0.66 0.09 0.00 0.00 178.83 177.87 3bx5 n TYR 311 N -2.76 0.00 -1.66 0.06 4.01 -0.22 -5.06 117.16 111.54 3bx5 n TYR 311 Ca 0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.31 3bx5 n TYR 311 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 3bx5 n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3bx5 n HIS 312 N -1.93 2.01 -3.26 -0.72 -0.00 -0.42 -4.99 115.22 105.91 3bx5 n HIS 312 Ca 0.00 0.50 -0.05 0.00 0.46 0.00 0.00 57.72 58.63 3bx5 n HIS 312 Cb 0.43 -2.42 -0.04 0.00 -0.12 0.00 0.00 29.99 27.85 3bx5 n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3bx5 s ASP 313 N 0.09 -0.35 0.52 0.26 2.15 -1.26 -5.00 116.67 113.08 3bx5 s ASP 313 Ca 0.66 -0.50 0.32 0.00 0.43 0.00 0.00 52.55 53.47 3bx5 s ASP 313 Cb -0.66 1.41 1.46 0.00 -0.30 0.00 0.00 42.92 44.83 3bx5 s ASP 313 CO 0.53 -0.29 1.82 -0.65 -0.17 0.00 0.00 175.17 176.41 3bx5 h PRO 314 N 7.75 0.06 -0.00 4.34 0.11 -1.96 0.42 132.00 142.71 3bx5 h PRO 314 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3bx5 h PRO 314 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3bx5 h PRO 314 CO 0.20 0.04 -0.01 -0.25 -0.21 0.00 0.00 178.00 177.77 3bx5 n ASP 315 N -4.27 0.23 -2.62 -2.05 9.92 -1.26 -3.77 116.55 112.73 3bx5 n ASP 315 Ca 0.24 -0.95 -0.13 0.00 -0.53 0.00 0.00 54.79 53.42 3bx5 n ASP 315 Cb 1.11 -0.04 0.02 0.00 -0.64 0.00 0.00 41.12 41.58 3bx5 n ASP 315 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3bx5 n ASP 316 N -0.87 2.22 -3.14 -2.24 2.03 0.14 -4.87 116.55 109.81 3bx5 n ASP 316 Ca 0.22 -2.90 -0.18 0.00 0.52 0.00 0.00 54.79 52.44 3bx5 n ASP 316 Cb 0.17 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 3bx5 n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3bx5 n GLU 317 N -0.20 0.91 -1.71 -0.67 1.02 -1.24 -4.86 120.64 113.89 3bx5 n GLU 317 Ca 0.16 -3.17 -0.39 0.00 -0.02 0.00 0.00 57.16 53.74 3bx5 n GLU 317 Cb 0.79 -1.53 0.04 0.00 -0.02 0.00 0.00 31.44 30.72 3bx5 n GLU 317 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3bx5 n PRO 318 N 0.60 1.60 -2.73 3.49 -0.04 -1.26 -4.96 135.00 131.69 3bx5 n PRO 318 Ca 0.22 0.59 -0.20 0.00 -0.04 0.00 0.00 63.50 64.07 3bx5 n PRO 318 Cb 0.63 -2.47 0.03 0.00 -0.04 0.00 0.00 33.50 31.66 3bx5 n PRO 318 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3bx5 s VAL 319 N -1.31 2.72 0.11 0.52 -7.23 -1.26 -4.18 120.40 109.78 3bx5 s VAL 319 Ca 0.70 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 3bx5 s VAL 319 Cb -0.44 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 3bx5 s VAL 319 CO 0.50 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.51 3bx5 s ALA 320 N -2.67 3.89 0.95 1.32 0.00 -1.25 -4.99 121.76 119.00 3bx5 s ALA 320 Ca 0.57 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 3bx5 s ALA 320 Cb -0.10 -1.70 0.11 0.00 0.00 0.00 0.00 23.12 21.42 3bx5 s ALA 320 CO 0.37 0.67 0.79 -0.25 0.00 0.00 0.00 175.76 177.34 3bx5 n ASP 321 N -0.07 -0.88 -4.76 0.00 8.00 -1.26 -4.59 116.55 112.98 3bx5 n ASP 321 Ca -0.07 0.34 -0.35 0.00 0.71 0.00 0.00 54.79 55.42 3bx5 n ASP 321 Cb 0.53 -1.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.32 3bx5 n ASP 321 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3bx5 s PRO 322 N -4.16 3.02 -0.16 -0.24 0.02 -1.26 -4.71 135.00 127.52 3bx5 s PRO 322 Ca 0.62 1.69 0.01 0.00 0.02 0.00 0.00 61.00 63.34 3bx5 s PRO 322 Cb -0.22 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3bx5 s PRO 322 CO 0.63 -1.14 -0.16 -0.47 -0.33 0.00 0.00 177.00 175.53 3bx5 s TYR 323 N -1.79 2.32 -0.66 6.54 5.04 -1.26 -5.08 117.35 122.46 3bx5 s TYR 323 Ca 0.74 -1.32 -0.27 0.00 -2.44 0.00 0.00 57.07 53.78 3bx5 s TYR 323 Cb -0.27 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.39 3bx5 s TYR 323 CO 0.33 -0.70 1.43 0.34 -1.34 0.00 0.00 175.55 175.61 3bx5 s ASP 324 N 1.43 5.99 -0.08 4.32 2.15 -1.26 -4.84 116.67 124.38 3bx5 s ASP 324 Ca 0.05 -0.07 0.20 0.00 0.43 0.00 0.00 52.55 53.15 3bx5 s ASP 324 Cb -0.13 -2.55 0.70 0.00 -0.30 0.00 0.00 42.92 40.64 3bx5 s ASP 324 CO -0.11 -1.90 1.60 1.67 -0.17 0.00 0.00 175.17 176.27 3bx5 n GLN 325 N 9.11 3.42 0.13 4.34 7.27 -1.26 -4.60 117.38 135.78 3bx5 n GLN 325 Ca 0.09 -2.82 0.05 0.00 0.07 0.00 0.00 57.00 54.40 3bx5 n GLN 325 Cb 0.50 -1.79 0.51 0.00 2.41 0.00 0.00 30.24 31.87 3bx5 n GLN 325 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3bx5 h SER 326 N 4.14 0.23 -0.85 1.69 4.64 -2.04 -2.06 113.55 119.30 3bx5 h SER 326 Ca 0.00 -0.01 0.17 0.00 -0.47 0.00 0.00 61.79 61.48 3bx5 h SER 326 Cb 1.31 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 3bx5 h SER 326 CO 0.16 0.20 0.56 2.19 -0.87 0.00 0.00 176.83 179.07 3bx5 h PHE 327 N 0.27 0.58 -1.25 4.77 -5.15 -1.98 -1.46 116.94 112.72 3bx5 h PHE 327 Ca 0.07 0.02 0.37 0.00 -0.20 0.00 0.00 57.97 58.23 3bx5 h PHE 327 Cb 0.02 -0.18 -0.09 0.00 0.22 0.00 0.00 35.95 35.92 3bx5 h PHE 327 CO 0.00 0.19 0.84 0.93 -2.00 0.00 0.00 178.31 178.27 3bx5 h GLU 328 N 0.47 0.16 0.00 6.09 4.39 -1.74 0.65 114.58 124.60 3bx5 h GLU 328 Ca 0.43 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.12 3bx5 h GLU 328 Cb 0.96 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3bx5 h GLU 328 CO -0.16 0.10 -0.22 0.77 -1.16 0.00 0.00 179.01 178.34 3bx5 h SER 329 N 0.16 0.00 -4.06 1.42 0.02 -1.46 -3.47 113.55 106.16 3bx5 h SER 329 Ca 0.70 -0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 61.15 3bx5 h SER 329 Cb 2.25 0.00 0.05 0.00 0.14 0.00 0.00 62.40 64.84 3bx5 h SER 329 CO -0.25 0.00 0.42 -0.13 -1.14 0.00 0.00 176.83 175.74 3bx5 s ARG 330 N -3.23 3.60 -0.43 3.45 0.52 0.23 -5.02 118.95 118.07 3bx5 s ARG 330 Ca 0.06 1.55 0.03 0.00 -0.52 0.00 0.00 55.73 56.84 3bx5 s ARG 330 Cb 0.07 -2.12 0.12 0.00 0.52 0.00 0.00 34.95 33.54 3bx5 s ARG 330 CO 0.69 -0.63 0.18 -0.51 0.02 0.00 0.00 175.30 175.05 3bx5 s ASP 331 N -1.77 4.19 0.45 0.23 1.01 -1.26 -5.07 116.67 114.44 3bx5 s ASP 331 Ca 0.69 -2.53 0.06 0.00 0.71 0.00 0.00 52.55 51.49 3bx5 s ASP 331 Cb -0.22 -1.36 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 3bx5 s ASP 331 CO 0.26 -0.30 0.23 -0.76 0.21 0.00 0.00 175.17 174.81 3bx5 s LEU 332 N 0.42 3.00 0.42 1.23 1.43 -1.26 -5.13 118.68 118.80 3bx5 s LEU 332 Ca 0.15 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 51.96 3bx5 s LEU 332 Cb -0.23 -1.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3bx5 s LEU 332 CO -0.05 -0.69 0.89 -0.76 0.23 0.00 0.00 176.35 175.97 3bx5 s LEU 333 N -4.00 3.88 0.22 1.79 1.02 -1.26 -4.92 118.68 115.41 3bx5 s LEU 333 Ca 0.38 1.50 -0.14 0.00 0.02 0.00 0.00 54.13 55.89 3bx5 s LEU 333 Cb 0.02 -4.37 0.25 0.00 0.02 0.00 0.00 46.19 42.11 3bx5 s LEU 333 CO 0.21 -0.38 1.60 0.40 0.02 0.00 0.00 176.35 178.20 3bx5 h ILE 334 N 1.59 0.24 0.00 -0.59 2.04 -1.91 0.16 117.51 119.04 3bx5 h ILE 334 Ca -0.48 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3bx5 h ILE 334 Cb 1.18 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3bx5 h ILE 334 CO 0.62 0.00 -0.05 0.44 0.00 0.00 0.00 178.15 179.16 3bx5 h ASP 335 N -0.04 0.00 0.54 1.72 3.32 -1.97 0.08 116.42 120.07 3bx5 h ASP 335 Ca 0.32 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.16 3bx5 h ASP 335 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3bx5 h ASP 335 CO -0.74 0.05 -0.92 -0.33 -1.72 0.00 0.00 179.24 175.59 3bx5 h GLU 336 N 0.00 0.24 -0.21 3.56 5.08 -1.07 -0.92 114.58 121.27 3bx5 h GLU 336 Ca -0.00 -0.28 -0.20 0.00 -1.00 0.00 0.00 59.36 57.89 3bx5 h GLU 336 Cb 0.15 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3bx5 h GLU 336 CO 0.01 1.00 -0.65 -1.49 -1.00 0.00 0.00 179.01 176.88 3bx5 h TRP 337 N 0.13 0.98 0.16 4.33 -0.00 -0.72 -2.52 115.95 118.31 3bx5 h TRP 337 Ca -0.06 -0.39 -0.01 0.00 -0.00 0.00 0.00 58.89 58.44 3bx5 h TRP 337 Cb 1.56 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 30.55 3bx5 h TRP 337 CO 0.04 1.20 -0.08 -0.22 -0.00 0.00 0.00 178.44 179.37 3bx5 h LYS 338 N 0.55 -0.22 -0.96 0.49 3.64 -0.91 -0.25 116.57 118.91 3bx5 h LYS 338 Ca -0.01 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3bx5 h LYS 338 Cb 1.25 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 3bx5 h LYS 338 CO 0.13 -0.15 0.62 1.03 -2.27 0.00 0.00 179.45 178.82 3bx5 h SER 339 N -0.23 0.97 -0.52 4.20 0.87 -1.18 0.28 113.55 117.95 3bx5 h SER 339 Ca -0.02 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3bx5 h SER 339 Cb 0.18 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3bx5 h SER 339 CO 0.02 0.60 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.81 3bx5 h LEU 340 N 1.09 0.97 -0.29 2.23 3.38 -1.00 0.10 115.31 121.79 3bx5 h LEU 340 Ca 0.43 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3bx5 h LEU 340 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3bx5 h LEU 340 CO -0.17 1.05 -0.03 0.74 0.09 0.00 0.00 178.44 180.11 3bx5 h THR 341 N 0.89 1.27 -0.38 0.22 2.02 0.06 -1.30 112.91 115.69 3bx5 h THR 341 Ca 0.15 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.37 3bx5 h THR 341 Cb 0.59 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 3bx5 h THR 341 CO 0.04 0.32 0.09 0.22 0.37 0.00 0.00 175.52 176.56 3bx5 h TYR 342 N 0.31 0.15 -0.85 3.16 3.20 -0.19 -0.27 116.97 122.48 3bx5 h TYR 342 Ca 0.08 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3bx5 h TYR 342 Cb 0.49 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 3bx5 h TYR 342 CO 0.04 0.04 0.55 -0.44 -1.64 0.00 0.00 178.16 176.71 3bx5 h ASP 343 N 0.22 0.82 0.11 -2.11 3.32 -0.47 -0.32 116.42 117.99 3bx5 h ASP 343 Ca 0.18 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 3bx5 h ASP 343 Cb 0.20 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3bx5 h ASP 343 CO -0.22 0.52 -0.64 -0.33 -1.72 0.00 0.00 179.24 176.85 3bx5 h GLU 344 N 0.93 0.51 -0.20 3.56 4.39 -0.15 -1.90 114.58 121.72 3bx5 h GLU 344 Ca 0.37 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3bx5 h GLU 344 Cb 0.25 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3bx5 h GLU 344 CO -0.14 0.98 -0.03 0.28 -1.16 0.00 0.00 179.01 178.95 3bx5 h VAL 345 N 0.37 1.27 0.09 3.13 2.07 -0.56 -3.02 116.25 119.60 3bx5 h VAL 345 Ca -0.01 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3bx5 h VAL 345 Cb 1.20 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3bx5 h VAL 345 CO 0.12 0.29 -0.14 0.40 0.02 0.00 0.00 177.57 178.26 3bx5 h ILE 346 N 0.11 0.67 0.00 4.57 1.08 -1.01 -2.61 117.51 120.32 3bx5 h ILE 346 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3bx5 h ILE 346 Cb 0.45 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3bx5 h ILE 346 CO 0.02 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 175.94 3bx5 n SER 347 N -5.27 0.00 -4.74 1.72 3.41 -0.72 -4.89 113.62 103.13 3bx5 n SER 347 Ca -0.07 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 56.89 3bx5 n SER 347 Cb 0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3bx5 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3bx5 s PHE 348 N -2.00 2.81 -0.24 7.33 5.36 -0.98 -4.99 117.98 125.27 3bx5 s PHE 348 Ca 0.18 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 56.79 3bx5 s PHE 348 Cb 0.08 -4.09 0.06 0.00 -0.34 0.00 0.00 43.02 38.72 3bx5 s PHE 348 CO 0.14 -3.85 -0.10 0.08 -1.46 0.00 0.00 175.22 170.03 3bx5 s VAL 349 N 0.44 1.92 0.76 3.12 1.01 -1.26 -5.10 120.40 121.29 3bx5 s VAL 349 Ca 0.67 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 3bx5 s VAL 349 Cb -0.48 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 33.87 3bx5 s VAL 349 CO 0.42 -0.00 0.98 -0.81 0.00 0.00 0.00 175.10 175.69 3bx5 n PRO 350 N 4.54 0.36 0.00 2.72 -0.04 -1.26 -5.00 135.00 136.31 3bx5 n PRO 350 Ca -0.14 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3bx5 n PRO 350 Cb 0.43 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3bx5 n PRO 350 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3bx5 n PRO 351 N -2.22 0.00 0.00 0.54 -0.02 -1.26 -5.18 135.00 126.86 3bx5 n PRO 351 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3bx5 n PRO 351 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3bx5 n PRO 351 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13