#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ma3 s TYR 38 N 0.00 1.61 -0.27 3.69 2.02 -1.26 -1.28 117.35 121.86 3ma3 s TYR 38 Ca 0.00 -0.31 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 3ma3 s TYR 38 Cb 0.00 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 3ma3 s TYR 38 CO 0.00 -0.02 0.31 -1.14 -1.57 0.00 0.00 175.55 173.13 3ma3 s GLN 39 N -0.46 4.01 -0.31 -0.62 0.74 -0.06 -4.92 119.66 118.05 3ma3 s GLN 39 Ca 0.07 -0.07 -0.20 0.00 0.05 0.00 0.00 55.36 55.21 3ma3 s GLN 39 Cb -0.07 -3.64 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 3ma3 s GLN 39 CO -0.01 -0.22 0.61 0.08 -0.55 0.00 0.00 175.29 175.21 3ma3 s VAL 40 N 1.88 4.95 0.00 1.34 1.01 -1.26 -1.65 120.40 126.67 3ma3 s VAL 40 Ca 0.13 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3ma3 s VAL 40 Cb -0.16 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3ma3 s VAL 40 CO 0.10 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3ma3 n GLY 41 N 4.46 1.40 3.96 4.51 0.00 0.27 -4.98 105.19 114.81 3ma3 n GLY 41 Ca -0.02 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3ma3 n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ma3 s PRO 42 N 2.37 3.46 0.26 1.61 0.04 -1.26 -4.59 135.00 136.88 3ma3 s PRO 42 Ca 0.00 -0.59 -0.29 0.00 0.04 0.00 0.00 61.00 60.17 3ma3 s PRO 42 Cb 0.00 -2.82 -0.15 0.00 0.04 0.00 0.00 34.50 31.58 3ma3 s PRO 42 CO 0.00 0.34 0.93 1.28 0.04 0.00 0.00 177.00 179.59 3ma3 n LEU 43 N -1.45 1.15 -0.10 -3.56 7.99 -1.26 -1.53 117.00 118.24 3ma3 n LEU 43 Ca -0.07 1.17 -0.13 0.00 -0.01 0.00 0.00 56.01 56.97 3ma3 n LEU 43 Cb 0.56 -1.21 -0.12 0.00 -0.11 0.00 0.00 43.42 42.54 3ma3 n LEU 43 CO 0.47 -1.71 -1.18 0.18 -1.51 0.00 0.00 177.39 173.64 3ma3 n LEU 44 N 1.46 1.59 -3.51 2.23 4.77 0.96 -4.77 117.00 119.72 3ma3 n LEU 44 Ca 0.12 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3ma3 n LEU 44 Cb 0.30 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3ma3 n LEU 44 CO 0.59 0.68 0.31 -0.83 -1.33 0.00 0.00 177.39 176.82 3ma3 s GLY 45 N -5.76 -0.47 0.00 -0.72 0.00 -1.15 -5.02 107.32 94.21 3ma3 s GLY 45 Ca -0.21 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.77 3ma3 s GLY 45 CO 0.63 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.31 3ma3 n GLY 48 N -0.33 -0.31 1.24 0.20 0.00 -1.26 -1.80 105.19 102.93 3ma3 n GLY 48 Ca -0.16 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 44.92 3ma3 n GLY 48 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3ma3 n PHE 49 N -0.17 0.68 -3.39 1.61 -0.00 -1.26 -5.02 117.46 109.91 3ma3 n PHE 49 Ca 0.00 -0.34 -0.19 0.00 -0.00 0.00 0.00 57.45 56.92 3ma3 n PHE 49 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.47 3ma3 n PHE 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3ma3 s GLY 50 N -1.32 1.87 -0.31 4.97 0.00 -1.26 -5.12 107.32 106.15 3ma3 s GLY 50 Ca 0.43 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 3ma3 s GLY 50 CO 0.33 -1.52 0.16 -0.56 0.00 0.00 0.00 173.10 171.50 3ma3 s SER 51 N -4.20 3.37 -0.11 1.64 0.01 -1.23 -4.81 113.70 108.37 3ma3 s SER 51 Ca 0.48 -1.63 0.01 0.00 1.31 0.00 0.00 55.95 56.12 3ma3 s SER 51 Cb -0.08 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.77 3ma3 s SER 51 CO 0.30 -0.39 -0.13 -0.69 0.41 0.00 0.00 173.24 172.75 3ma3 s VAL 52 N 1.70 1.34 0.11 3.43 1.01 -0.74 -1.26 120.40 125.99 3ma3 s VAL 52 Ca 0.12 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3ma3 s VAL 52 Cb -0.19 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3ma3 s VAL 52 CO -0.23 0.41 -0.06 -0.31 0.00 0.00 0.00 175.10 174.92 3ma3 s TYR 53 N 1.26 2.82 0.46 5.22 2.02 0.07 -0.02 117.35 129.18 3ma3 s TYR 53 Ca -0.02 -0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.34 3ma3 s TYR 53 Cb -0.14 -1.45 -0.08 0.00 -0.40 0.00 0.00 41.96 39.89 3ma3 s TYR 53 CO -0.05 0.46 1.10 0.45 -1.57 0.00 0.00 175.55 175.94 3ma3 s SER 54 N -2.35 6.28 0.10 2.29 0.15 -0.58 -0.86 113.70 118.73 3ma3 s SER 54 Ca 0.24 2.12 -0.21 0.00 0.70 0.00 0.00 55.95 58.80 3ma3 s SER 54 Cb -0.11 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.67 3ma3 s SER 54 CO 0.16 -0.83 0.52 -0.83 1.20 0.00 0.00 173.24 173.45 3ma3 s GLY 55 N -1.63 -0.45 -0.03 9.45 0.00 -0.68 0.96 107.32 114.93 3ma3 s GLY 55 Ca 0.65 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 3ma3 s GLY 55 CO 0.28 0.10 0.05 -0.26 0.00 0.00 0.00 173.10 173.27 3ma3 s ILE 56 N -3.22 -0.08 -0.07 0.90 -0.00 -0.66 -0.78 121.20 117.29 3ma3 s ILE 56 Ca -0.01 0.27 -0.30 0.00 -0.00 0.00 0.00 60.65 60.61 3ma3 s ILE 56 Cb -0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 42.46 42.31 3ma3 s ILE 56 CO -0.08 0.11 1.25 -0.60 -0.00 0.00 0.00 174.94 175.63 3ma3 s ARG 57 N 1.40 4.31 0.18 0.37 3.52 -0.43 -0.88 118.95 127.43 3ma3 s ARG 57 Ca -0.05 1.72 -0.09 0.00 -0.13 0.00 0.00 55.73 57.18 3ma3 s ARG 57 Cb -0.13 -3.62 0.07 0.00 -1.56 0.00 0.00 34.95 29.72 3ma3 s ARG 57 CO -0.03 -0.53 1.65 0.28 -0.81 0.00 0.00 175.30 175.85 3ma3 h VAL 58 N 5.12 1.27 -0.70 7.11 2.07 -1.54 0.92 116.25 130.49 3ma3 h VAL 58 Ca -0.33 -1.14 0.20 0.00 0.82 0.00 0.00 66.70 66.25 3ma3 h VAL 58 Cb 1.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3ma3 h VAL 58 CO 0.91 0.42 0.68 0.28 0.02 0.00 0.00 177.57 179.88 3ma3 h SER 59 N 1.00 0.00 0.00 0.57 0.02 -1.92 -3.30 113.55 109.92 3ma3 h SER 59 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3ma3 h SER 59 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3ma3 h SER 59 CO 0.03 0.00 -0.02 -0.90 -1.14 0.00 0.00 176.83 174.80 3ma3 n ASP 60 N -3.73 0.00 -2.39 3.07 5.75 -1.03 -5.03 116.55 113.18 3ma3 n ASP 60 Ca 0.14 -1.03 -0.13 0.00 -0.01 0.00 0.00 54.79 53.76 3ma3 n ASP 60 Cb 0.93 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 41.01 3ma3 n ASP 60 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ma3 n ASN 61 N 0.00 -4.10 -4.72 -1.12 3.02 0.31 -4.95 115.26 103.71 3ma3 n ASN 61 Ca 0.00 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 3ma3 n ASN 61 Cb 0.51 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.16 3ma3 n ASN 61 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ma3 s LEU 62 N -5.58 4.38 0.11 3.41 2.96 -1.22 -4.71 118.68 118.03 3ma3 s LEU 62 Ca 0.00 2.38 -0.31 0.00 -0.22 0.00 0.00 54.13 55.98 3ma3 s LEU 62 Cb 0.00 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 3ma3 s LEU 62 CO 0.00 -0.65 1.65 -2.84 -1.32 0.00 0.00 176.35 173.19 3ma3 s PRO 63 N 0.81 4.20 0.23 0.98 0.02 -1.26 -1.32 135.00 138.66 3ma3 s PRO 63 Ca 0.63 2.37 0.09 0.00 0.02 0.00 0.00 61.00 64.12 3ma3 s PRO 63 Cb -0.38 -3.44 -0.05 0.00 0.02 0.00 0.00 34.50 30.66 3ma3 s PRO 63 CO 0.32 -0.70 -0.16 0.14 -0.33 0.00 0.00 177.00 176.27 3ma3 s VAL 64 N 2.13 1.97 -0.11 3.83 -7.23 0.04 -2.94 120.40 118.09 3ma3 s VAL 64 Ca 0.73 -2.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3ma3 s VAL 64 Cb -0.42 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3ma3 s VAL 64 CO 0.32 -0.52 -0.13 0.00 -0.31 0.00 0.00 175.10 174.46 3ma3 s ALA 65 N -2.78 2.66 -0.33 1.32 0.00 0.49 -1.69 121.76 121.44 3ma3 s ALA 65 Ca 0.24 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 3ma3 s ALA 65 Cb -0.02 -1.16 0.06 0.00 0.00 0.00 0.00 23.12 21.99 3ma3 s ALA 65 CO 0.09 0.35 0.06 0.42 0.00 0.00 0.00 175.76 176.68 3ma3 s ILE 66 N 0.01 3.25 -0.19 0.00 1.01 -0.04 -0.71 121.20 124.54 3ma3 s ILE 66 Ca -0.04 -1.42 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 3ma3 s ILE 66 Cb -0.14 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3ma3 s ILE 66 CO 0.04 -0.22 0.01 -0.75 0.00 0.00 0.00 174.94 174.03 3ma3 s LYS 67 N 1.28 3.74 -0.13 2.79 2.20 0.23 -0.75 119.74 129.10 3ma3 s LYS 67 Ca -0.02 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.10 3ma3 s LYS 67 Cb -0.20 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3ma3 s LYS 67 CO -0.00 0.14 -0.04 -1.01 -0.36 0.00 0.00 175.35 174.08 3ma3 s HIS 68 N 0.69 3.03 -0.08 4.03 3.76 -0.39 -0.07 115.29 126.27 3ma3 s HIS 68 Ca 0.01 -0.18 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3ma3 s HIS 68 Cb -0.14 -1.90 0.01 0.00 1.11 0.00 0.00 32.58 31.66 3ma3 s HIS 68 CO 0.02 0.09 -0.13 0.14 -0.85 0.00 0.00 174.74 174.01 3ma3 s VAL 69 N 0.03 1.20 0.02 -0.90 -7.23 0.06 -4.38 120.40 109.19 3ma3 s VAL 69 Ca 0.01 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 3ma3 s VAL 69 Cb -0.13 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 3ma3 s VAL 69 CO 0.03 0.37 0.99 -1.61 -0.31 0.00 0.00 175.10 174.57 3ma3 s GLU 70 N 0.79 4.57 0.42 4.82 0.41 -1.26 -1.12 118.70 127.34 3ma3 s GLU 70 Ca -0.12 1.44 0.09 0.00 -0.41 0.00 0.00 54.97 55.98 3ma3 s GLU 70 Cb -0.15 -3.44 0.92 0.00 -1.78 0.00 0.00 34.13 29.68 3ma3 s GLU 70 CO 0.02 -0.02 2.04 0.87 -0.49 0.00 0.00 175.26 177.68 3ma3 h LYS 71 N 6.63 0.48 -0.05 1.61 1.57 -1.38 -2.66 116.57 122.77 3ma3 h LYS 71 Ca -0.41 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 3ma3 h LYS 71 Cb 1.22 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3ma3 h LYS 71 CO 0.75 0.32 0.05 -0.44 -0.57 0.00 0.00 179.45 179.56 3ma3 h ASP 72 N 0.49 0.00 -0.44 0.86 3.32 -1.92 -2.67 116.42 116.06 3ma3 h ASP 72 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3ma3 h ASP 72 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ma3 h ASP 72 CO -0.05 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.01 3ma3 n ARG 73 N -3.96 2.86 -3.24 3.56 5.12 -1.01 -4.93 116.66 115.07 3ma3 n ARG 73 Ca -0.02 -2.23 -0.42 0.00 -1.93 0.00 0.00 57.85 53.26 3ma3 n ARG 73 Cb 0.15 -1.36 -0.08 0.00 -1.16 0.00 0.00 32.46 30.00 3ma3 n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ma3 s ILE 74 N -1.07 5.01 -0.07 0.55 1.01 -1.01 -4.94 121.20 120.68 3ma3 s ILE 74 Ca 0.30 0.29 0.14 0.00 0.00 0.00 0.00 60.65 61.37 3ma3 s ILE 74 Cb 0.16 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.42 3ma3 s ILE 74 CO 0.20 -0.25 0.58 -1.54 0.00 0.00 0.00 174.94 173.92 3ma3 n SER 75 N 5.77 0.74 -4.41 3.58 3.41 -1.26 -4.90 113.62 116.54 3ma3 n SER 75 Ca -0.05 0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 58.57 3ma3 n SER 75 Cb 0.49 0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 3ma3 n SER 75 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ma3 s ASP 76 N -5.99 4.65 0.16 4.04 1.01 -1.26 -5.10 116.67 114.17 3ma3 s ASP 76 Ca -0.05 -0.25 0.10 0.00 0.71 0.00 0.00 52.55 53.06 3ma3 s ASP 76 Cb 0.08 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.18 3ma3 s ASP 76 CO 0.83 0.06 -0.22 0.26 0.21 0.00 0.00 175.17 176.30 3ma3 s TRP 77 N 1.02 2.06 0.24 4.23 0.52 -1.26 -1.60 118.94 124.15 3ma3 s TRP 77 Ca 0.01 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.73 3ma3 s TRP 77 Cb -0.14 -1.05 -0.00 0.00 -1.15 0.00 0.00 33.47 31.12 3ma3 s TRP 77 CO 0.01 0.37 0.30 0.41 0.02 0.00 0.00 176.95 178.06 3ma3 n GLY 78 N 0.53 2.66 3.16 0.98 0.00 0.76 -4.69 105.19 108.59 3ma3 n GLY 78 Ca -0.15 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 3ma3 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ma3 s GLU 79 N -2.68 1.00 0.81 1.61 2.02 -1.26 -0.02 118.70 120.18 3ma3 s GLU 79 Ca 0.23 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.30 3ma3 s GLU 79 Cb -0.00 -1.03 0.08 0.00 0.10 0.00 0.00 34.13 33.28 3ma3 s GLU 79 CO 0.16 0.26 1.15 -0.51 0.02 0.00 0.00 175.26 176.34 3ma3 s LEU 80 N -1.18 2.48 0.30 1.80 1.43 -0.93 -4.79 118.68 117.79 3ma3 s LEU 80 Ca 0.02 0.90 0.18 0.00 -1.03 0.00 0.00 54.13 54.20 3ma3 s LEU 80 Cb -0.08 -3.41 1.08 0.00 0.03 0.00 0.00 46.19 43.81 3ma3 s LEU 80 CO 0.01 -1.94 1.23 -2.65 0.23 0.00 0.00 176.35 173.24 3ma3 n PRO 81 N -3.36 -0.04 0.00 1.29 -0.02 -1.26 0.52 135.00 132.12 3ma3 n PRO 81 Ca 0.07 1.06 0.12 0.00 -2.02 0.00 0.00 63.50 62.74 3ma3 n PRO 81 Cb 0.60 -1.94 0.23 0.00 -0.02 0.00 0.00 33.50 32.37 3ma3 n PRO 81 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3ma3 n ASN 82 N -4.66 1.04 -0.33 2.55 0.23 -1.26 -5.00 115.26 107.82 3ma3 n ASN 82 Ca 0.30 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.53 3ma3 n ASN 82 Cb 1.06 0.31 0.00 0.00 -2.08 0.00 0.00 39.78 39.07 3ma3 n ASN 82 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ma3 n GLY 83 N 1.41 0.96 3.88 4.83 0.00 0.18 -5.09 105.19 111.36 3ma3 n GLY 83 Ca 0.09 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 3ma3 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ma3 s THR 84 N -2.65 5.40 -0.61 2.61 2.01 -1.26 -4.79 115.64 116.34 3ma3 s THR 84 Ca 0.00 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 3ma3 s THR 84 Cb 0.00 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.05 3ma3 s THR 84 CO 0.00 0.52 1.13 -0.60 -0.69 0.00 0.00 174.62 174.98 3ma3 s ARG 85 N -1.30 3.36 0.24 4.92 3.52 -1.26 -2.19 118.95 126.23 3ma3 s ARG 85 Ca 0.20 -0.08 0.10 0.00 -0.13 0.00 0.00 55.73 55.82 3ma3 s ARG 85 Cb -0.13 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 3ma3 s ARG 85 CO 0.10 -1.74 -0.18 0.14 -0.81 0.00 0.00 175.30 172.81 3ma3 s VAL 86 N 4.79 2.12 0.49 7.11 -7.23 0.97 -4.93 120.40 123.72 3ma3 s VAL 86 Ca 0.36 -2.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.00 3ma3 s VAL 86 Cb -0.10 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 3ma3 s VAL 86 CO 0.20 -0.48 1.37 -2.84 -0.31 0.00 0.00 175.10 173.05 3ma3 s PRO 87 N -3.52 3.47 0.39 4.82 0.02 -1.26 -0.17 135.00 138.75 3ma3 s PRO 87 Ca 0.26 2.29 0.14 0.00 0.02 0.00 0.00 61.00 63.71 3ma3 s PRO 87 Cb -0.03 -2.48 0.98 0.00 0.02 0.00 0.00 34.50 32.99 3ma3 s PRO 87 CO 0.11 -0.94 1.85 1.98 -0.33 0.00 0.00 177.00 179.67 3ma3 h MET 88 N 1.96 0.51 -0.91 5.54 4.05 -1.57 -0.42 114.93 124.09 3ma3 h MET 88 Ca -0.51 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 58.99 3ma3 h MET 88 Cb 1.28 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 31.89 3ma3 h MET 88 CO 0.59 0.33 0.54 1.49 0.23 0.00 0.00 176.91 180.10 3ma3 h GLU 89 N 0.52 0.86 -0.33 0.39 4.81 -1.82 0.65 114.58 119.66 3ma3 h GLU 89 Ca 0.48 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 3ma3 h GLU 89 Cb 1.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3ma3 h GLU 89 CO -0.21 0.57 -0.16 0.28 -0.73 0.00 0.00 179.01 178.76 3ma3 h VAL 90 N 0.89 1.29 -0.64 0.32 2.07 -1.44 -0.38 116.25 118.36 3ma3 h VAL 90 Ca 0.44 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.79 3ma3 h VAL 90 Cb 0.41 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3ma3 h VAL 90 CO -0.25 0.41 0.27 0.58 0.02 0.00 0.00 177.57 178.60 3ma3 h VAL 91 N 0.46 0.79 0.03 2.57 2.07 -0.78 -1.22 116.25 120.18 3ma3 h VAL 91 Ca 0.07 -0.16 -0.23 0.00 0.82 0.00 0.00 66.70 67.20 3ma3 h VAL 91 Cb 0.69 0.29 0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ma3 h VAL 91 CO 0.05 0.09 -0.92 -0.07 0.02 0.00 0.00 177.57 176.73 3ma3 h LEU 92 N 0.47 0.75 -1.28 2.57 3.38 -0.76 -2.54 115.31 117.90 3ma3 h LEU 92 Ca 0.32 -0.78 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3ma3 h LEU 92 Cb 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3ma3 h LEU 92 CO -0.30 1.44 0.52 -0.07 0.09 0.00 0.00 178.44 180.13 3ma3 h LEU 93 N 0.16 0.76 -0.41 1.67 3.38 -0.91 -1.91 115.31 118.05 3ma3 h LEU 93 Ca -0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3ma3 h LEU 93 Cb 1.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 3ma3 h LEU 93 CO 0.18 0.49 -0.22 0.11 0.09 0.00 0.00 178.44 179.10 3ma3 h LYS 94 N 0.87 0.87 0.00 1.13 1.57 -1.14 -1.62 116.57 118.24 3ma3 h LYS 94 Ca 0.34 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3ma3 h LYS 94 Cb 0.23 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3ma3 h LYS 94 CO -0.12 1.03 -0.13 0.87 -0.57 0.00 0.00 179.45 180.53 3ma3 h LYS 95 N 0.68 0.00 -0.01 3.15 1.57 -0.96 -2.98 116.57 118.02 3ma3 h LYS 95 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3ma3 h LYS 95 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3ma3 h LYS 95 CO 0.06 0.13 -0.50 1.33 -0.57 0.00 0.00 179.45 179.90 3ma3 n VAL 96 N -4.05 0.00 0.69 0.50 0.24 -0.78 -4.62 118.33 110.32 3ma3 n VAL 96 Ca -0.02 -0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.14 3ma3 n VAL 96 Cb 0.21 1.21 0.27 0.00 -1.47 0.00 0.00 33.84 34.06 3ma3 n VAL 96 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3ma3 n SER 97 N -0.23 2.76 -4.87 -1.34 7.64 -0.64 -4.85 113.62 112.09 3ma3 n SER 97 Ca 0.08 -1.89 -0.35 0.00 1.01 0.00 0.00 58.87 57.72 3ma3 n SER 97 Cb 0.42 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 3ma3 n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ma3 s SER 98 N -1.53 6.24 0.04 6.43 1.04 -1.26 -4.78 113.70 119.87 3ma3 s SER 98 Ca 0.36 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3ma3 s SER 98 Cb 0.21 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.37 3ma3 s SER 98 CO 0.29 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.45 3ma3 n GLY 99 N 1.44 -1.63 3.81 7.32 0.00 -1.26 -4.92 105.19 109.96 3ma3 n GLY 99 Ca -0.15 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 3ma3 n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ma3 s PHE 100 N -1.56 3.76 0.23 1.61 0.08 -1.26 -5.06 117.98 115.78 3ma3 s PHE 100 Ca 0.00 1.30 -0.20 0.00 0.12 0.00 0.00 56.93 58.14 3ma3 s PHE 100 Cb 0.00 -2.53 0.07 0.00 -0.57 0.00 0.00 43.02 40.00 3ma3 s PHE 100 CO 0.00 0.52 0.98 -1.54 -0.10 0.00 0.00 175.22 175.08 3ma3 s SER 101 N -1.30 0.01 -0.21 1.36 1.04 -1.26 -5.01 113.70 108.34 3ma3 s SER 101 Ca 0.33 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3ma3 s SER 101 Cb -0.19 0.59 0.37 0.00 0.10 0.00 0.00 66.02 66.89 3ma3 s SER 101 CO 0.20 -1.17 1.39 0.61 0.98 0.00 0.00 173.24 175.26 3ma3 n GLY 102 N -0.67 3.03 3.43 7.32 0.00 -1.26 -4.84 105.19 112.19 3ma3 n GLY 102 Ca -0.04 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3ma3 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ma3 s VAL 103 N -1.77 3.18 0.16 1.61 1.01 -1.26 -0.60 120.40 122.73 3ma3 s VAL 103 Ca 0.29 -0.64 -0.33 0.00 0.00 0.00 0.00 61.98 61.31 3ma3 s VAL 103 Cb 0.24 -2.31 -0.13 0.00 0.00 0.00 0.00 36.38 34.18 3ma3 s VAL 103 CO 0.06 0.55 1.67 -0.38 0.00 0.00 0.00 175.10 177.00 3ma3 n ILE 104 N 3.09 0.06 -3.69 2.22 2.08 -0.81 -4.84 119.36 117.46 3ma3 n ILE 104 Ca -0.18 -0.01 -0.37 0.00 0.56 0.00 0.00 62.75 62.75 3ma3 n ILE 104 Cb 0.53 -1.76 -0.06 0.00 -0.75 0.00 0.00 39.64 37.59 3ma3 n ILE 104 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3ma3 s ARG 105 N 1.30 3.67 -0.31 0.38 0.52 -1.26 -4.91 118.95 118.33 3ma3 s ARG 105 Ca 0.78 0.13 -0.24 0.00 -0.52 0.00 0.00 55.73 55.88 3ma3 s ARG 105 Cb -0.60 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 31.68 3ma3 s ARG 105 CO 0.36 0.73 0.83 -1.17 0.02 0.00 0.00 175.30 176.07 3ma3 s LEU 106 N -1.11 4.07 -0.01 2.53 2.96 -1.26 -1.38 118.68 124.48 3ma3 s LEU 106 Ca 0.20 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3ma3 s LEU 106 Cb -0.14 -3.14 -0.25 0.00 0.50 0.00 0.00 46.19 43.16 3ma3 s LEU 106 CO 0.09 -0.66 0.78 -0.07 -1.32 0.00 0.00 176.35 175.17 3ma3 h LEU 107 N 9.56 0.21 -7.72 -0.68 3.38 0.21 -3.48 115.31 116.79 3ma3 h LEU 107 Ca -0.24 -0.35 0.25 0.00 0.09 0.00 0.00 57.88 57.63 3ma3 h LEU 107 Cb 1.09 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3ma3 h LEU 107 CO 0.91 1.30 0.70 -0.62 0.09 0.00 0.00 178.44 180.81 3ma3 s ASP 108 N -6.66 -0.04 0.06 -0.43 -1.08 -1.08 -5.01 116.67 102.43 3ma3 s ASP 108 Ca -0.08 -0.39 -0.24 0.00 -0.52 0.00 0.00 52.55 51.33 3ma3 s ASP 108 Cb 0.08 0.34 0.06 0.00 -1.46 0.00 0.00 42.92 41.93 3ma3 s ASP 108 CO 0.83 -0.65 0.56 -1.66 0.52 0.00 0.00 175.17 174.77 3ma3 s TRP 109 N -2.40 -0.48 0.04 -5.34 1.48 -1.26 -0.59 118.94 110.38 3ma3 s TRP 109 Ca 0.20 0.52 0.03 0.00 -1.06 0.00 0.00 56.10 55.79 3ma3 s TRP 109 Cb -0.00 0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 32.69 3ma3 s TRP 109 CO 0.01 -0.70 -0.10 -0.06 -4.06 0.00 0.00 176.95 172.05 3ma3 s PHE 110 N -2.65 0.86 -0.14 1.66 0.08 -0.22 -5.01 117.98 112.58 3ma3 s PHE 110 Ca -0.04 -0.42 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 3ma3 s PHE 110 Cb -0.00 -0.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 3ma3 s PHE 110 CO -0.03 -0.02 0.11 -2.00 -0.10 0.00 0.00 175.22 173.17 3ma3 s GLU 111 N -1.37 3.56 0.39 0.44 2.12 -1.26 -1.44 118.70 121.14 3ma3 s GLU 111 Ca -0.05 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.15 3ma3 s GLU 111 Cb -0.09 -3.17 -0.08 0.00 0.26 0.00 0.00 34.13 31.05 3ma3 s GLU 111 CO 0.01 0.63 -0.02 1.03 -0.54 0.00 0.00 175.26 176.38 3ma3 s ARG 112 N -0.62 1.92 0.20 4.30 0.52 0.19 -4.97 118.95 120.49 3ma3 s ARG 112 Ca 0.12 -2.07 -0.19 0.00 -0.52 0.00 0.00 55.73 53.08 3ma3 s ARG 112 Cb -0.12 -1.65 0.16 0.00 0.52 0.00 0.00 34.95 33.87 3ma3 s ARG 112 CO 0.02 -0.01 1.59 -1.35 0.02 0.00 0.00 175.30 175.58 3ma3 h PRO 113 N 1.83 -0.12 -0.11 3.54 0.11 -2.03 -3.16 132.00 132.08 3ma3 h PRO 113 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ma3 h PRO 113 Cb 1.24 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ma3 h PRO 113 CO 0.78 -0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 3ma3 n ASP 114 N -5.44 2.17 -3.80 -2.05 8.00 -1.26 -5.00 116.55 109.16 3ma3 n ASP 114 Ca 0.06 -1.61 -0.09 0.00 0.71 0.00 0.00 54.79 53.86 3ma3 n ASP 114 Cb 0.36 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 3ma3 n ASP 114 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ma3 s SER 115 N -0.91 -0.19 0.01 -2.24 1.04 -1.19 -0.94 113.70 109.27 3ma3 s SER 115 Ca 0.15 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 56.03 3ma3 s SER 115 Cb 0.09 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3ma3 s SER 115 CO 0.14 -1.04 -0.08 -0.36 0.98 0.00 0.00 173.24 172.88 3ma3 s PHE 116 N -3.90 2.86 -0.10 5.02 0.08 -0.27 0.56 117.98 122.23 3ma3 s PHE 116 Ca 0.12 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.11 3ma3 s PHE 116 Cb -0.00 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3ma3 s PHE 116 CO -0.01 0.36 -0.08 0.08 -0.10 0.00 0.00 175.22 175.47 3ma3 s VAL 117 N -0.99 3.57 -0.12 -0.44 1.01 -0.52 -0.76 120.40 122.14 3ma3 s VAL 117 Ca 0.17 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3ma3 s VAL 117 Cb -0.11 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3ma3 s VAL 117 CO 0.07 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.76 3ma3 s LEU 118 N -0.35 2.16 -0.29 3.92 1.02 0.90 -1.05 118.68 124.99 3ma3 s LEU 118 Ca 0.05 -0.56 -0.11 0.00 0.02 0.00 0.00 54.13 53.53 3ma3 s LEU 118 Cb -0.12 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3ma3 s LEU 118 CO 0.02 0.12 0.18 -0.63 0.02 0.00 0.00 176.35 176.06 3ma3 s ILE 119 N 0.58 5.09 0.27 -0.59 -1.09 0.24 -0.60 121.20 125.11 3ma3 s ILE 119 Ca -0.12 0.00 0.11 0.00 -2.23 0.00 0.00 60.65 58.41 3ma3 s ILE 119 Cb -0.17 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 3ma3 s ILE 119 CO 0.03 0.21 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.01 3ma3 s LEU 120 N 1.72 2.59 0.54 2.97 1.43 0.11 0.92 118.68 128.96 3ma3 s LEU 120 Ca 0.07 -1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 51.91 3ma3 s LEU 120 Cb -0.16 -1.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 3ma3 s LEU 120 CO 0.09 -0.02 1.12 -0.62 0.23 0.00 0.00 176.35 177.16 3ma3 n GLU 121 N -0.60 1.30 -3.72 1.70 1.02 -0.48 -0.38 120.64 119.49 3ma3 n GLU 121 Ca -0.05 0.48 -0.28 0.00 -0.02 0.00 0.00 57.16 57.29 3ma3 n GLU 121 Cb 0.60 -2.30 -0.16 0.00 -0.02 0.00 0.00 31.44 29.57 3ma3 n GLU 121 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3ma3 s ARG 122 N -2.64 0.60 0.78 3.49 3.52 -1.15 -4.14 118.95 119.41 3ma3 s ARG 122 Ca 0.71 -0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.68 3ma3 s ARG 122 Cb -0.45 -2.01 0.06 0.00 -1.56 0.00 0.00 34.95 30.99 3ma3 s ARG 122 CO 0.50 -0.72 1.09 -1.25 -0.81 0.00 0.00 175.30 174.11 3ma3 s PRO 123 N 1.85 2.26 -0.28 5.12 0.05 -1.26 -4.64 135.00 138.10 3ma3 s PRO 123 Ca 0.01 0.68 -0.14 0.00 0.05 0.00 0.00 61.00 61.60 3ma3 s PRO 123 Cb -0.17 -1.94 0.09 0.00 0.05 0.00 0.00 34.50 32.54 3ma3 s PRO 123 CO -0.13 -1.51 0.67 -2.00 0.05 0.00 0.00 177.00 174.09 3ma3 s GLU 124 N -5.15 0.67 0.45 4.56 2.12 -1.26 -4.35 118.70 115.74 3ma3 s GLU 124 Ca 0.60 1.26 -0.18 0.00 0.36 0.00 0.00 54.97 57.01 3ma3 s GLU 124 Cb -0.14 0.29 -0.09 0.00 0.26 0.00 0.00 34.13 34.45 3ma3 s GLU 124 CO 0.54 -0.16 0.94 -1.25 -0.54 0.00 0.00 175.26 174.79 3ma3 s PRO 125 N 1.90 4.08 0.03 4.30 0.04 -1.26 -4.89 135.00 139.20 3ma3 s PRO 125 Ca -0.09 0.99 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3ma3 s PRO 125 Cb -0.07 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3ma3 s PRO 125 CO -0.20 -0.11 -0.03 0.54 0.04 0.00 0.00 177.00 177.24 3ma3 s VAL 126 N -2.35 0.15 -0.10 -0.36 0.11 -1.26 -2.23 120.40 114.36 3ma3 s VAL 126 Ca 0.60 -1.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.52 3ma3 s VAL 126 Cb -0.10 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3ma3 s VAL 126 CO 0.22 -0.56 0.26 -1.58 -3.33 0.00 0.00 175.10 170.10 3ma3 s GLN 127 N -1.80 0.29 0.67 1.54 0.74 -0.85 -4.98 119.66 115.26 3ma3 s GLN 127 Ca -0.12 0.38 -0.13 0.00 0.05 0.00 0.00 55.36 55.54 3ma3 s GLN 127 Cb -0.08 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.15 3ma3 s GLN 127 CO -0.02 -0.05 1.07 0.16 -0.55 0.00 0.00 175.29 175.90 3ma3 s ASP 128 N 0.29 5.33 0.37 6.67 3.84 -1.26 -0.04 116.67 131.87 3ma3 s ASP 128 Ca -0.01 1.75 0.18 0.00 -0.00 0.00 0.00 52.55 54.47 3ma3 s ASP 128 Cb -0.03 -2.52 0.63 0.00 -1.38 0.00 0.00 42.92 39.63 3ma3 s ASP 128 CO -0.01 -1.48 1.71 0.25 -0.00 0.00 0.00 175.17 175.64 3ma3 h LEU 129 N -0.36 0.00 0.06 2.11 5.85 -0.76 -1.98 115.31 120.24 3ma3 h LEU 129 Ca -0.45 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3ma3 h LEU 129 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3ma3 h LEU 129 CO 0.56 0.39 -0.03 0.15 -0.34 0.00 0.00 178.44 179.17 3ma3 h PHE 130 N 0.00 -0.07 -0.92 1.25 3.57 -1.78 -1.03 116.94 117.96 3ma3 h PHE 130 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3ma3 h PHE 130 Cb 0.93 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 3ma3 h PHE 130 CO 0.00 0.30 0.61 -0.44 -2.23 0.00 0.00 178.31 176.55 3ma3 h ASP 131 N -0.46 1.01 -0.59 0.41 3.32 -1.87 -1.01 116.42 117.23 3ma3 h ASP 131 Ca -0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3ma3 h ASP 131 Cb 0.41 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3ma3 h ASP 131 CO 0.01 0.70 0.15 0.15 -1.72 0.00 0.00 179.24 178.54 3ma3 h PHE 132 N 1.18 0.98 -0.12 4.55 3.57 -1.30 0.34 116.94 126.14 3ma3 h PHE 132 Ca 0.36 -0.11 -0.19 0.00 3.53 0.00 0.00 57.97 61.56 3ma3 h PHE 132 Cb -0.01 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 3ma3 h PHE 132 CO -0.00 0.83 -0.70 0.82 -2.23 0.00 0.00 178.31 177.03 3ma3 h ILE 133 N 0.85 1.34 0.11 1.41 2.04 -0.95 -0.95 117.51 121.37 3ma3 h ILE 133 Ca 0.19 -2.02 0.01 0.00 1.00 0.00 0.00 64.86 64.03 3ma3 h ILE 133 Cb 0.34 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3ma3 h ILE 133 CO 0.00 0.62 -0.15 0.74 0.00 0.00 0.00 178.15 179.36 3ma3 h THR 134 N 0.38 0.66 -0.36 -0.27 2.02 -0.89 0.17 112.91 114.61 3ma3 h THR 134 Ca -0.03 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 3ma3 h THR 134 Cb 1.29 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3ma3 h THR 134 CO 0.13 0.00 -0.39 -0.08 0.37 0.00 0.00 175.52 175.55 3ma3 h GLU 135 N -0.31 0.89 -0.00 6.66 4.81 -0.94 -3.31 114.58 122.38 3ma3 h GLU 135 Ca 0.01 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3ma3 h GLU 135 Cb 0.31 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3ma3 h GLU 135 CO -0.06 1.12 -0.98 0.54 -0.73 0.00 0.00 179.01 178.90 3ma3 n ARG 136 N -4.05 0.13 0.00 1.92 1.74 -0.36 -5.09 116.66 110.94 3ma3 n ARG 136 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3ma3 n ARG 136 Cb 0.55 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3ma3 n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ma3 n GLY 137 N 1.49 -1.58 3.54 -0.13 0.00 0.58 -4.83 105.19 104.26 3ma3 n GLY 137 Ca 0.04 -1.28 -0.56 0.00 0.00 0.00 0.00 46.02 44.22 3ma3 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ma3 n ALA 138 N 0.38 -2.62 -2.04 4.61 0.00 -1.26 -4.76 120.51 114.83 3ma3 n ALA 138 Ca 0.00 0.57 -0.35 0.00 0.00 0.00 0.00 53.44 53.65 3ma3 n ALA 138 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 3ma3 n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ma3 s LEU 139 N 0.23 4.27 0.60 0.00 1.43 0.53 -4.92 118.68 120.82 3ma3 s LEU 139 Ca 0.89 1.47 -0.20 0.00 -1.03 0.00 0.00 54.13 55.26 3ma3 s LEU 139 Cb -1.15 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 41.23 3ma3 s LEU 139 CO 0.53 -0.05 1.22 0.00 0.23 0.00 0.00 176.35 178.29 3ma3 n GLN 140 N 0.42 1.26 -0.18 1.70 6.02 -1.26 -4.60 117.38 120.74 3ma3 n GLN 140 Ca -0.00 0.48 -0.08 0.00 -0.01 0.00 0.00 57.00 57.39 3ma3 n GLN 140 Cb 0.51 -2.44 0.02 0.00 1.02 0.00 0.00 30.24 29.35 3ma3 n GLN 140 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3ma3 h GLU 141 N 0.85 0.75 -0.86 -1.09 5.08 -1.96 0.70 114.58 118.04 3ma3 h GLU 141 Ca -0.50 -0.11 0.19 0.00 -1.00 0.00 0.00 59.36 57.93 3ma3 h GLU 141 Cb 1.33 -0.13 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 3ma3 h GLU 141 CO 0.54 0.63 0.38 1.49 -1.00 0.00 0.00 179.01 181.05 3ma3 h GLU 142 N 0.69 0.45 -0.04 2.33 4.81 -1.99 0.20 114.58 121.04 3ma3 h GLU 142 Ca 0.18 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3ma3 h GLU 142 Cb 0.13 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.41 3ma3 h GLU 142 CO -0.02 0.30 -0.34 1.25 -0.73 0.00 0.00 179.01 179.46 3ma3 h LEU 143 N 0.46 0.36 -1.24 1.64 5.85 -1.56 -2.70 115.31 118.12 3ma3 h LEU 143 Ca 0.51 -0.70 0.09 0.00 0.84 0.00 0.00 57.88 58.62 3ma3 h LEU 143 Cb 0.88 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3ma3 h LEU 143 CO -0.47 1.01 0.56 0.00 -0.34 0.00 0.00 178.44 179.20 3ma3 h ALA 144 N 0.36 1.66 -0.29 1.25 0.00 -0.60 -2.20 119.26 119.44 3ma3 h ALA 144 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ma3 h ALA 144 Cb 1.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ma3 h ALA 144 CO 0.07 0.17 -0.04 -0.09 0.00 0.00 0.00 179.25 179.36 3ma3 h ARG 145 N 0.85 0.54 -0.21 0.00 2.43 -0.59 0.06 114.38 117.45 3ma3 h ARG 145 Ca 0.39 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3ma3 h ARG 145 Cb 0.40 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ma3 h ARG 145 CO -0.16 0.71 0.08 1.03 -1.51 0.00 0.00 179.97 180.13 3ma3 h SER 146 N 0.31 0.29 0.07 -3.80 0.87 -1.13 -1.44 113.55 108.73 3ma3 h SER 146 Ca 0.08 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3ma3 h SER 146 Cb 0.50 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3ma3 h SER 146 CO 0.02 0.38 -0.16 -0.26 -0.53 0.00 0.00 176.83 176.29 3ma3 h PHE 147 N 0.19 -0.41 -0.77 2.24 -1.00 -1.39 -2.26 116.94 113.53 3ma3 h PHE 147 Ca 0.07 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 3ma3 h PHE 147 Cb 0.18 0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.88 3ma3 h PHE 147 CO -0.01 -0.23 0.41 0.35 -1.61 0.00 0.00 178.31 177.22 3ma3 h PHE 148 N -0.30 1.06 -0.51 -0.55 3.57 -0.93 -0.07 116.94 119.21 3ma3 h PHE 148 Ca 0.03 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ma3 h PHE 148 Cb 0.33 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3ma3 h PHE 148 CO -0.18 0.75 0.33 2.35 -2.23 0.00 0.00 178.31 179.34 3ma3 h TRP 149 N 1.07 0.62 -0.27 0.41 2.91 -1.15 0.56 115.95 120.10 3ma3 h TRP 149 Ca 0.27 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.20 3ma3 h TRP 149 Cb 0.05 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.48 3ma3 h TRP 149 CO 0.00 0.38 -0.28 1.96 -1.03 0.00 0.00 178.44 179.48 3ma3 h GLN 150 N 0.67 0.54 -0.66 2.65 4.20 -0.99 -0.74 115.11 120.78 3ma3 h GLN 150 Ca 0.19 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3ma3 h GLN 150 Cb -0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3ma3 h GLN 150 CO -0.06 0.77 0.12 0.28 -0.67 0.00 0.00 178.83 179.27 3ma3 h VAL 151 N 0.47 1.26 -0.49 -0.54 2.07 -0.38 -1.61 116.25 117.03 3ma3 h VAL 151 Ca 0.06 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3ma3 h VAL 151 Cb 0.72 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3ma3 h VAL 151 CO 0.06 0.38 0.26 -0.07 0.02 0.00 0.00 177.57 178.22 3ma3 h LEU 152 N 1.01 0.63 -0.89 2.57 3.38 -0.05 -1.00 115.31 120.96 3ma3 h LEU 152 Ca 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ma3 h LEU 152 Cb 0.41 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3ma3 h LEU 152 CO 0.01 0.55 0.47 -0.33 0.09 0.00 0.00 178.44 179.23 3ma3 h GLU 153 N 0.66 1.25 -0.43 1.13 4.39 -1.04 -1.27 114.58 119.26 3ma3 h GLU 153 Ca 0.17 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 3ma3 h GLU 153 Cb 0.07 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 3ma3 h GLU 153 CO -0.03 0.92 -0.20 0.00 -1.16 0.00 0.00 179.01 178.55 3ma3 h ALA 154 N 1.26 0.82 -0.03 3.43 0.00 -0.93 -1.37 119.26 122.45 3ma3 h ALA 154 Ca 0.31 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3ma3 h ALA 154 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ma3 h ALA 154 CO -0.05 0.65 -0.84 0.28 0.00 0.00 0.00 179.25 179.29 3ma3 h VAL 155 N 0.75 1.42 0.10 0.00 2.07 -1.02 -1.59 116.25 117.98 3ma3 h VAL 155 Ca 0.10 -2.38 0.01 0.00 0.82 0.00 0.00 66.70 65.26 3ma3 h VAL 155 Cb 0.74 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 3ma3 h VAL 155 CO 0.06 0.71 -0.16 0.03 0.02 0.00 0.00 177.57 178.23 3ma3 h ARG 156 N 0.20 -0.30 -0.78 1.57 3.08 -1.16 -0.14 114.38 116.85 3ma3 h ARG 156 Ca -0.05 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.16 3ma3 h ARG 156 Cb 1.45 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.48 3ma3 h ARG 156 CO 0.14 -0.20 0.35 1.25 -1.07 0.00 0.00 179.97 180.44 3ma3 h HIS 157 N -0.31 0.61 -0.30 3.04 2.76 -1.21 0.48 115.15 120.22 3ma3 h HIS 157 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3ma3 h HIS 157 Cb 0.33 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3ma3 h HIS 157 CO -0.16 0.12 0.14 0.00 -1.30 0.00 0.00 177.93 176.73 3ma3 h HIS 159 N 0.35 0.38 -0.84 0.00 -0.00 -0.22 -0.73 115.15 114.09 3ma3 h HIS 159 Ca 0.10 -0.01 0.20 0.00 -0.00 0.00 0.00 60.37 60.66 3ma3 h HIS 159 Cb 0.14 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 3ma3 h HIS 159 CO -0.02 0.34 0.57 -0.91 -0.00 0.00 0.00 177.93 177.91 3ma3 h ASN 160 N 0.31 0.28 -0.21 2.45 2.35 -0.94 0.54 115.58 120.35 3ma3 h ASN 160 Ca 0.09 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ma3 h ASN 160 Cb 0.09 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3ma3 h ASN 160 CO -0.01 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 3ma3 n GLY 162 N 1.04 0.50 3.20 0.00 0.00 0.18 -4.84 105.19 105.27 3ma3 n GLY 162 Ca 0.14 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 3ma3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ma3 s VAL 163 N -2.00 2.06 -0.25 1.61 1.01 -0.37 -0.37 120.40 122.09 3ma3 s VAL 163 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 3ma3 s VAL 163 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3ma3 s VAL 163 CO 0.00 0.56 0.09 -0.22 0.00 0.00 0.00 175.10 175.52 3ma3 s LEU 164 N 0.56 3.55 0.08 3.92 2.96 0.80 -3.30 118.68 127.25 3ma3 s LEU 164 Ca -0.13 -0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 53.46 3ma3 s LEU 164 Cb -0.17 -1.95 -0.13 0.00 0.50 0.00 0.00 46.19 44.44 3ma3 s LEU 164 CO 0.04 -0.02 1.34 -0.74 -1.32 0.00 0.00 176.35 175.64 3ma3 h HIS 165 N 8.15 0.80 -0.06 5.38 -0.00 -1.93 -0.71 115.15 126.78 3ma3 h HIS 165 Ca -0.38 -0.29 -0.03 0.00 -0.00 0.00 0.00 60.37 59.67 3ma3 h HIS 165 Cb 1.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 3ma3 h HIS 165 CO 0.68 1.06 -0.03 0.54 -0.00 0.00 0.00 177.93 180.18 3ma3 n ARG 166 N -4.23 -1.52 -2.72 5.26 1.74 -1.26 -2.94 116.66 110.99 3ma3 n ARG 166 Ca -0.06 0.45 -0.04 0.00 -0.77 0.00 0.00 57.85 57.43 3ma3 n ARG 166 Cb 0.54 -4.62 0.08 0.00 -1.02 0.00 0.00 32.46 27.45 3ma3 n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ma3 n ASP 167 N -0.77 0.00 -4.68 0.55 2.03 -1.26 -4.45 116.55 107.98 3ma3 n ASP 167 Ca -0.01 -2.33 -0.42 0.00 0.52 0.00 0.00 54.79 52.54 3ma3 n ASP 167 Cb 0.40 0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 3ma3 n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3ma3 s ILE 168 N -1.76 3.79 -0.09 5.18 1.01 -1.26 -4.75 121.20 123.33 3ma3 s ILE 168 Ca 0.21 1.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.65 3ma3 s ILE 168 Cb 0.40 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 39.29 3ma3 s ILE 168 CO -0.05 -0.04 1.01 -1.59 0.00 0.00 0.00 174.94 174.26 3ma3 s LYS 169 N 2.98 0.62 0.46 2.79 -2.85 -1.26 -4.87 119.74 117.60 3ma3 s LYS 169 Ca 0.64 -0.18 0.17 0.00 -1.00 0.00 0.00 55.97 55.61 3ma3 s LYS 169 Cb -0.30 0.29 1.13 0.00 -2.06 0.00 0.00 37.83 36.89 3ma3 s LYS 169 CO 0.25 -0.26 1.97 0.38 0.10 0.00 0.00 175.35 177.79 3ma3 h ASP 170 N 2.07 0.27 0.91 0.03 3.04 -1.93 0.11 116.42 120.92 3ma3 h ASP 170 Ca -0.17 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.62 3ma3 h ASP 170 Cb 1.21 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.45 3ma3 h ASP 170 CO 0.28 0.15 -0.04 -0.33 -2.04 0.00 0.00 179.24 177.27 3ma3 h GLU 171 N 0.30 0.00 -0.74 4.15 5.08 -1.95 -2.72 114.58 118.70 3ma3 h GLU 171 Ca 0.30 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.36 3ma3 h GLU 171 Cb 0.75 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.83 3ma3 h GLU 171 CO -0.07 0.04 0.33 0.09 -1.00 0.00 0.00 179.01 178.40 3ma3 n ASN 172 N -3.16 4.16 -3.86 1.42 3.02 0.38 -4.85 115.26 112.36 3ma3 n ASN 172 Ca 0.00 -3.40 -0.22 0.00 -0.03 0.00 0.00 54.58 50.93 3ma3 n ASN 172 Cb 0.30 -0.75 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 3ma3 n ASN 172 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ma3 s ILE 173 N -3.11 0.60 -0.06 2.41 1.01 -1.04 -0.87 121.20 120.14 3ma3 s ILE 173 Ca 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 3ma3 s ILE 173 Cb 0.44 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3ma3 s ILE 173 CO 0.11 0.27 0.09 -0.76 0.00 0.00 0.00 174.94 174.65 3ma3 s LEU 174 N 1.39 4.01 -0.21 2.97 1.43 -0.33 -0.66 118.68 127.28 3ma3 s LEU 174 Ca -0.03 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3ma3 s LEU 174 Cb -0.13 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3ma3 s LEU 174 CO -0.03 0.34 0.02 -0.63 0.23 0.00 0.00 176.35 176.28 3ma3 s ILE 175 N -1.08 4.10 -0.52 -0.59 1.01 0.95 -1.04 121.20 124.03 3ma3 s ILE 175 Ca 0.19 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 3ma3 s ILE 175 Cb -0.12 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.52 3ma3 s ILE 175 CO 0.09 0.41 0.91 -0.62 0.00 0.00 0.00 174.94 175.72 3ma3 s ASP 176 N 1.14 6.37 0.53 3.58 -1.08 -0.23 -2.02 116.67 124.96 3ma3 s ASP 176 Ca 0.03 -0.26 0.32 0.00 -0.52 0.00 0.00 52.55 52.12 3ma3 s ASP 176 Cb -0.14 -2.43 1.28 0.00 -1.46 0.00 0.00 42.92 40.17 3ma3 s ASP 176 CO 0.02 -1.14 1.96 -0.07 0.52 0.00 0.00 175.17 176.45 3ma3 h LEU 177 N 10.74 0.00 0.08 -1.34 3.38 -1.76 0.18 115.31 126.59 3ma3 h LEU 177 Ca -0.26 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 3ma3 h LEU 177 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3ma3 h LEU 177 CO 1.06 0.04 -1.20 0.78 0.09 0.00 0.00 178.44 179.20 3ma3 h ASN 178 N 0.00 0.28 0.93 -0.43 2.35 -1.90 -3.38 115.58 113.42 3ma3 h ASN 178 Ca -0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 3ma3 h ASN 178 Cb 0.55 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3ma3 h ASN 178 CO 0.01 1.52 -0.41 0.54 -1.65 0.00 0.00 177.43 177.43 3ma3 n ARG 179 N -4.09 0.20 -2.42 0.81 1.74 -1.18 -4.80 116.66 106.91 3ma3 n ARG 179 Ca -0.24 0.09 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 3ma3 n ARG 179 Cb 0.81 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3ma3 n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ma3 n GLY 180 N 1.38 -0.28 3.59 -0.13 0.00 0.61 -3.44 105.19 106.93 3ma3 n GLY 180 Ca 0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3ma3 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ma3 s GLU 181 N -4.93 3.22 0.01 1.61 2.02 -1.18 -4.60 118.70 114.85 3ma3 s GLU 181 Ca 0.05 -0.47 -0.07 0.00 0.02 0.00 0.00 54.97 54.50 3ma3 s GLU 181 Cb -0.02 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3ma3 s GLU 181 CO 0.06 0.51 0.27 -0.51 0.02 0.00 0.00 175.26 175.62 3ma3 s LEU 182 N -0.37 4.37 -0.11 1.80 1.02 -1.26 -1.07 118.68 123.06 3ma3 s LEU 182 Ca 0.06 0.57 0.02 0.00 0.02 0.00 0.00 54.13 54.80 3ma3 s LEU 182 Cb -0.12 -2.67 0.01 0.00 0.02 0.00 0.00 46.19 43.43 3ma3 s LEU 182 CO 0.02 0.25 -0.16 -0.54 0.02 0.00 0.00 176.35 175.95 3ma3 s LYS 183 N -1.75 2.29 0.24 1.70 -0.14 -0.21 -4.55 119.74 117.32 3ma3 s LYS 183 Ca 0.27 -0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 54.00 3ma3 s LYS 183 Cb -0.13 -1.93 -0.09 0.00 -1.68 0.00 0.00 37.83 34.00 3ma3 s LYS 183 CO 0.16 -0.05 1.19 -0.51 -0.76 0.00 0.00 175.35 175.38 3ma3 s LEU 184 N 0.95 4.48 0.35 3.17 1.43 0.23 -1.19 118.68 128.10 3ma3 s LEU 184 Ca -0.07 2.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 3ma3 s LEU 184 Cb -0.15 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 3ma3 s LEU 184 CO -0.01 -0.34 0.05 0.27 0.23 0.00 0.00 176.35 176.55 3ma3 s ILE 185 N -0.61 1.32 -0.35 -0.59 -4.36 -0.05 -1.92 121.20 114.64 3ma3 s ILE 185 Ca 0.50 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.82 3ma3 s ILE 185 Cb -0.34 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.57 3ma3 s ILE 185 CO 0.41 0.00 0.25 -0.67 0.24 0.00 0.00 174.94 175.17 3ma3 n ASP 186 N -0.78 -7.81 -1.36 4.36 2.03 -1.26 -4.83 116.55 106.90 3ma3 n ASP 186 Ca -0.03 1.02 0.02 0.00 0.52 0.00 0.00 54.79 56.32 3ma3 n ASP 186 Cb 0.67 -5.23 0.22 0.00 -0.72 0.00 0.00 41.12 36.06 3ma3 n ASP 186 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3ma3 n PHE 187 N 0.26 1.29 0.43 -0.67 3.72 -1.26 -4.54 117.46 116.68 3ma3 n PHE 187 Ca 0.05 -0.51 0.12 0.00 -0.05 0.00 0.00 57.45 57.06 3ma3 n PHE 187 Cb 0.19 -0.38 0.49 0.00 -0.94 0.00 0.00 39.48 38.84 3ma3 n PHE 187 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ma3 n GLY 188 N 0.28 -1.37 0.72 1.37 0.00 -1.26 -1.56 105.19 103.37 3ma3 n GLY 188 Ca 0.18 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.34 3ma3 n GLY 188 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ma3 n SER 189 N -2.29 3.04 -3.67 1.61 7.64 -1.26 -4.91 113.62 113.79 3ma3 n SER 189 Ca 0.03 -2.01 -0.22 0.00 1.01 0.00 0.00 58.87 57.68 3ma3 n SER 189 Cb 0.27 -0.26 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 3ma3 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ma3 n GLY 190 N 0.63 -0.90 3.52 0.23 0.00 -0.60 -4.65 105.19 103.42 3ma3 n GLY 190 Ca 0.13 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 3ma3 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ma3 s ALA 191 N -3.75 -0.82 0.29 4.61 0.00 -0.27 -4.99 121.76 116.82 3ma3 s ALA 191 Ca 0.59 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 3ma3 s ALA 191 Cb -0.02 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.86 3ma3 s ALA 191 CO 0.41 -0.80 1.53 -0.51 0.00 0.00 0.00 175.76 176.39 3ma3 s LEU 192 N -2.89 4.36 0.14 0.00 1.43 -1.26 -0.14 118.68 120.31 3ma3 s LEU 192 Ca 0.11 2.87 -0.31 0.00 -1.03 0.00 0.00 54.13 55.77 3ma3 s LEU 192 Cb -0.01 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 3ma3 s LEU 192 CO -0.01 -0.84 1.34 -0.22 0.23 0.00 0.00 176.35 176.85 3ma3 s LEU 193 N -0.61 4.39 0.17 1.79 2.96 0.50 -4.64 118.68 123.23 3ma3 s LEU 193 Ca 0.61 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 3ma3 s LEU 193 Cb -0.46 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.60 3ma3 s LEU 193 CO 0.48 -0.59 0.06 -1.59 -1.32 0.00 0.00 176.35 173.38 3ma3 s LYS 194 N 0.69 1.08 0.00 1.98 -2.85 -1.26 -4.89 119.74 114.49 3ma3 s LYS 194 Ca 0.61 -1.53 0.23 0.00 -1.00 0.00 0.00 55.97 54.28 3ma3 s LYS 194 Cb -0.36 0.04 0.09 0.00 -2.06 0.00 0.00 37.83 35.54 3ma3 s LYS 194 CO 0.33 -0.25 1.15 -0.25 0.10 0.00 0.00 175.35 176.43 3ma3 n ASP 195 N -0.21 1.90 -4.89 0.03 8.00 -1.26 -4.60 116.55 115.52 3ma3 n ASP 195 Ca -0.04 -1.43 -0.22 0.00 0.71 0.00 0.00 54.79 53.81 3ma3 n ASP 195 Cb 0.64 0.44 0.06 0.00 -0.02 0.00 0.00 41.12 42.24 3ma3 n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ma3 s THR 196 N -2.49 2.48 0.35 -3.53 -4.23 -1.26 -4.96 115.64 102.01 3ma3 s THR 196 Ca 0.19 -0.62 -0.27 0.00 -1.18 0.00 0.00 61.69 59.81 3ma3 s THR 196 Cb 0.18 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 3ma3 s THR 196 CO 0.57 0.00 1.23 0.54 -0.54 0.00 0.00 174.62 176.41 3ma3 s VAL 197 N -2.90 2.97 -0.14 2.29 0.11 -1.26 -4.69 120.40 116.79 3ma3 s VAL 197 Ca 0.60 0.91 -0.08 0.00 -2.93 0.00 0.00 61.98 60.49 3ma3 s VAL 197 Cb -0.09 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 3ma3 s VAL 197 CO 0.40 0.17 0.14 -0.31 -3.33 0.00 0.00 175.10 172.17 3ma3 s TYR 198 N -1.25 3.56 -0.13 1.54 2.02 0.58 -4.96 117.35 118.71 3ma3 s TYR 198 Ca 0.52 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.72 3ma3 s TYR 198 Cb -0.35 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.23 3ma3 s TYR 198 CO 0.46 0.65 0.61 0.25 -1.57 0.00 0.00 175.55 175.95 3ma3 n THR 199 N 2.30 0.16 -4.42 -0.71 -2.24 -1.26 -1.80 114.28 106.31 3ma3 n THR 199 Ca -0.19 -0.58 -0.24 0.00 -2.27 0.00 0.00 64.05 60.77 3ma3 n THR 199 Cb 0.54 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3ma3 n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ma3 s ASP 200 N -0.24 3.29 -0.30 3.42 -4.77 -1.26 -4.82 116.67 112.00 3ma3 s ASP 200 Ca 0.01 -0.93 -0.15 0.00 -3.30 0.00 0.00 52.55 48.18 3ma3 s ASP 200 Cb 0.01 -0.24 0.16 0.00 -1.09 0.00 0.00 42.92 41.76 3ma3 s ASP 200 CO 0.01 0.04 0.99 0.12 0.70 0.00 0.00 175.17 177.04 3ma3 s PHE 201 N -2.12 -0.63 -0.09 2.11 5.36 -1.26 -5.04 117.98 116.32 3ma3 s PHE 201 Ca 0.23 1.14 0.13 0.00 -0.96 0.00 0.00 56.93 57.47 3ma3 s PHE 201 Cb -0.06 0.38 0.19 0.00 -0.34 0.00 0.00 43.02 43.19 3ma3 s PHE 201 CO 0.11 -0.31 1.08 -0.40 -1.46 0.00 0.00 175.22 174.24 3ma3 n ASP 202 N 4.48 1.93 -2.47 6.13 5.75 -1.26 -5.05 116.55 126.05 3ma3 n ASP 202 Ca -0.13 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 3ma3 n ASP 202 Cb 0.54 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3ma3 n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ma3 n GLY 203 N -1.05 -0.62 3.66 6.12 0.00 -1.26 -4.91 105.19 107.13 3ma3 n GLY 203 Ca 0.11 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3ma3 n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ma3 s THR 204 N -0.16 4.89 0.16 2.61 2.01 -1.26 -4.96 115.64 118.92 3ma3 s THR 204 Ca 0.00 1.56 -0.12 0.00 0.31 0.00 0.00 61.69 63.45 3ma3 s THR 204 Cb 0.00 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.43 3ma3 s THR 204 CO 0.00 0.02 1.61 -0.09 -0.69 0.00 0.00 174.62 175.47 3ma3 h ARG 205 N 7.41 0.92 0.00 4.92 2.43 -1.96 -1.93 114.38 126.17 3ma3 h ARG 205 Ca -0.29 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 3ma3 h ARG 205 Cb 1.13 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3ma3 h ARG 205 CO 0.83 0.94 0.00 1.33 -1.51 0.00 0.00 179.97 181.57 3ma3 n VAL 206 N -4.29 1.27 0.79 0.20 0.24 -1.26 -1.40 118.33 113.88 3ma3 n VAL 206 Ca 0.01 0.42 0.10 0.00 -2.04 0.00 0.00 64.34 62.83 3ma3 n VAL 206 Cb 0.33 -1.33 0.08 0.00 -1.47 0.00 0.00 33.84 31.45 3ma3 n VAL 206 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3ma3 n TYR 207 N -1.80 0.01 -3.10 6.34 4.01 -0.74 -4.82 117.16 117.06 3ma3 n TYR 207 Ca 0.01 -0.01 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 3ma3 n TYR 207 Cb 0.11 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 3ma3 n TYR 207 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ma3 s SER 208 N -1.61 6.80 0.71 7.72 1.04 -0.49 -3.96 113.70 123.90 3ma3 s SER 208 Ca 0.23 1.34 -0.09 0.00 0.48 0.00 0.00 55.95 57.90 3ma3 s SER 208 Cb 0.16 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.93 3ma3 s SER 208 CO 0.24 -0.22 1.06 -2.16 0.98 0.00 0.00 173.24 173.14 3ma3 s PRO 209 N -2.97 2.51 0.39 4.02 0.05 -1.26 -4.90 135.00 132.83 3ma3 s PRO 209 Ca 0.55 0.12 0.07 0.00 0.05 0.00 0.00 61.00 61.79 3ma3 s PRO 209 Cb -0.10 -2.09 0.78 0.00 0.05 0.00 0.00 34.50 33.14 3ma3 s PRO 209 CO 0.17 -1.14 1.97 -1.00 0.05 0.00 0.00 177.00 177.05 3ma3 h PRO 210 N -0.64 0.43 0.00 0.56 0.13 -1.90 -1.42 132.00 129.17 3ma3 h PRO 210 Ca -0.45 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 3ma3 h PRO 210 Cb 1.29 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ma3 h PRO 210 CO 0.63 0.40 -0.15 1.05 -0.23 0.00 0.00 178.00 179.70 3ma3 h GLU 211 N 0.43 0.00 -0.03 0.86 9.09 -1.86 0.20 114.58 123.26 3ma3 h GLU 211 Ca 0.10 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.39 3ma3 h GLU 211 Cb 0.17 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.27 3ma3 h GLU 211 CO -0.00 0.15 -0.46 2.35 0.05 0.00 0.00 179.01 181.10 3ma3 h TRP 212 N 0.00 0.52 0.31 2.06 2.91 -1.22 -1.87 115.95 118.66 3ma3 h TRP 212 Ca -0.00 -0.26 -0.01 0.00 1.13 0.00 0.00 58.89 59.74 3ma3 h TRP 212 Cb 0.29 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 3ma3 h TRP 212 CO 0.00 1.05 -0.16 0.82 -1.03 0.00 0.00 178.44 179.12 3ma3 h ILE 213 N -0.17 0.67 0.11 2.65 1.08 -1.03 -0.72 117.51 120.10 3ma3 h ILE 213 Ca -0.05 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.13 3ma3 h ILE 213 Cb 1.16 0.67 0.03 0.00 -3.07 0.00 0.00 36.82 35.61 3ma3 h ILE 213 CO 0.09 0.00 -1.22 0.03 -0.69 0.00 0.00 178.15 176.36 3ma3 h ARG 214 N -0.43 0.62 0.00 2.37 3.08 -0.75 -3.40 114.38 115.87 3ma3 h ARG 214 Ca -0.04 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.20 3ma3 h ARG 214 Cb 0.34 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3ma3 h ARG 214 CO 0.06 1.37 0.00 0.66 -1.07 0.00 0.00 179.97 180.98 3ma3 n TYR 215 N -3.79 0.00 -2.49 3.04 4.01 -0.72 -5.03 117.16 112.18 3ma3 n TYR 215 Ca -0.13 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.44 3ma3 n TYR 215 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 3ma3 n TYR 215 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3ma3 n HIS 216 N -0.23 -1.03 -3.78 -0.72 -0.00 -0.28 -4.96 115.22 104.23 3ma3 n HIS 216 Ca 0.00 0.14 -0.12 0.00 0.46 0.00 0.00 57.72 58.19 3ma3 n HIS 216 Cb 0.03 -3.46 -0.08 0.00 -0.12 0.00 0.00 29.99 26.36 3ma3 n HIS 216 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 3ma3 s ARG 217 N -5.02 0.68 0.09 1.57 1.70 -1.22 -4.48 118.95 112.27 3ma3 s ARG 217 Ca 0.08 -0.32 -0.26 0.00 -0.47 0.00 0.00 55.73 54.76 3ma3 s ARG 217 Cb -0.03 0.30 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 3ma3 s ARG 217 CO 0.10 -0.19 0.81 1.52 -1.08 0.00 0.00 175.30 176.45 3ma3 s TYR 218 N -1.71 -0.35 0.16 5.89 -0.85 -0.74 -3.13 117.35 116.62 3ma3 s TYR 218 Ca -0.11 0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.62 3ma3 s TYR 218 Cb -0.04 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 3ma3 s TYR 218 CO 0.02 -0.73 0.17 -1.01 -1.52 0.00 0.00 175.55 172.48 3ma3 s HIS 219 N -3.38 3.23 0.06 -3.49 3.76 -1.26 -0.31 115.29 113.90 3ma3 s HIS 219 Ca 0.06 0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.69 3ma3 s HIS 219 Cb -0.01 -1.55 -0.17 0.00 1.11 0.00 0.00 32.58 31.95 3ma3 s HIS 219 CO -0.07 0.52 1.53 0.78 -0.85 0.00 0.00 174.74 176.65 3ma3 h GLY 220 N 2.33 -0.64 0.89 -2.22 0.00 -1.84 -2.33 103.07 99.27 3ma3 h GLY 220 Ca -0.48 0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 3ma3 h GLY 220 CO 0.64 -0.23 -0.40 3.21 0.00 0.00 0.00 176.54 179.77 3ma3 h ARG 221 N -0.71 0.56 -0.02 4.80 3.08 -1.97 -0.24 114.38 119.88 3ma3 h ARG 221 Ca -0.06 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 3ma3 h ARG 221 Cb 0.52 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3ma3 h ARG 221 CO 0.10 1.00 -0.37 0.66 -1.07 0.00 0.00 179.97 180.29 3ma3 h SER 222 N 0.21 0.04 0.15 7.04 4.64 -1.93 -0.46 113.55 123.24 3ma3 h SER 222 Ca -0.00 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3ma3 h SER 222 Cb 1.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3ma3 h SER 222 CO 0.09 0.41 -0.75 0.00 -0.87 0.00 0.00 176.83 175.71 3ma3 h ALA 223 N 1.60 0.52 -0.70 5.18 0.00 -1.12 -2.82 119.26 121.92 3ma3 h ALA 223 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3ma3 h ALA 223 Cb 0.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3ma3 h ALA 223 CO 0.05 0.74 0.42 0.00 0.00 0.00 0.00 179.25 180.46 3ma3 h ALA 224 N 0.83 0.89 -0.69 0.00 0.00 -0.26 -2.03 119.26 118.00 3ma3 h ALA 224 Ca -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ma3 h ALA 224 Cb 1.34 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3ma3 h ALA 224 CO 0.14 0.36 0.17 0.28 0.00 0.00 0.00 179.25 180.19 3ma3 h VAL 225 N 0.95 1.26 -0.08 0.00 2.07 -1.10 -1.30 116.25 118.04 3ma3 h VAL 225 Ca 0.25 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3ma3 h VAL 225 Cb -0.03 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3ma3 h VAL 225 CO -0.05 0.37 -0.03 -0.25 0.02 0.00 0.00 177.57 177.63 3ma3 h TRP 226 N 1.04 -0.07 -0.09 1.57 2.91 -1.27 -1.00 115.95 119.04 3ma3 h TRP 226 Ca 0.22 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.25 3ma3 h TRP 226 Cb 0.37 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 3ma3 h TRP 226 CO 0.03 -0.05 0.06 0.66 -1.03 0.00 0.00 178.44 178.11 3ma3 h SER 227 N -0.02 0.09 0.66 2.65 4.64 -1.01 -1.25 113.55 119.31 3ma3 h SER 227 Ca 0.04 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 3ma3 h SER 227 Cb 0.08 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3ma3 h SER 227 CO -0.10 0.06 -0.78 -0.07 -0.87 0.00 0.00 176.83 175.07 3ma3 h LEU 228 N 0.10 0.11 -0.64 5.97 3.38 -0.50 -1.51 115.31 122.23 3ma3 h LEU 228 Ca 0.03 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3ma3 h LEU 228 Cb 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ma3 h LEU 228 CO -0.01 0.85 -0.08 1.23 0.09 0.00 0.00 178.44 180.52 3ma3 h GLY 229 N 2.04 1.06 0.94 0.83 0.00 -0.07 0.05 103.07 107.93 3ma3 h GLY 229 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.50 3ma3 h GLY 229 CO 0.11 0.75 0.25 -2.22 0.00 0.00 0.00 176.54 175.43 3ma3 h ILE 230 N 0.88 1.06 -0.60 2.60 1.08 -1.25 -1.94 117.51 119.35 3ma3 h ILE 230 Ca 0.15 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.38 3ma3 h ILE 230 Cb 0.62 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3ma3 h ILE 230 CO 0.04 0.09 0.15 0.25 -0.69 0.00 0.00 178.15 177.99 3ma3 h LEU 231 N 0.51 0.91 -0.42 1.44 5.85 -1.11 -0.10 115.31 122.39 3ma3 h LEU 231 Ca 0.16 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3ma3 h LEU 231 Cb -0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3ma3 h LEU 231 CO -0.06 0.90 0.12 0.25 -0.34 0.00 0.00 178.44 179.31 3ma3 h LEU 232 N 0.87 0.62 -0.31 2.25 5.85 -0.84 -1.64 115.31 122.12 3ma3 h LEU 232 Ca 0.19 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ma3 h LEU 232 Cb 0.35 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3ma3 h LEU 232 CO 0.00 0.67 0.09 0.22 -0.34 0.00 0.00 178.44 179.08 3ma3 h TYR 233 N 0.54 0.15 -1.00 1.25 3.20 -1.05 -1.71 116.97 118.35 3ma3 h TYR 233 Ca 0.13 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.23 3ma3 h TYR 233 Cb 0.28 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 38.42 3ma3 h TYR 233 CO 0.01 0.05 0.60 0.22 -1.64 0.00 0.00 178.16 177.41 3ma3 h ASP 234 N 0.21 0.74 -0.06 -2.11 3.58 -0.72 0.15 116.42 118.20 3ma3 h ASP 234 Ca 0.14 0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 3ma3 h ASP 234 Cb 0.13 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.16 3ma3 h ASP 234 CO -0.16 0.22 -0.32 0.24 -2.88 0.00 0.00 179.24 176.34 3ma3 h MET 235 N 0.71 0.33 0.00 0.28 2.86 -0.47 -1.27 114.93 117.36 3ma3 h MET 235 Ca 0.59 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3ma3 h MET 235 Cb 0.98 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3ma3 h MET 235 CO -0.41 0.92 -0.45 1.33 1.06 0.00 0.00 176.91 179.35 3ma3 n VAL 236 N -4.43 0.37 0.20 -2.22 0.24 -0.72 -0.35 118.33 111.42 3ma3 n VAL 236 Ca -0.08 -0.24 0.04 0.00 -2.04 0.00 0.00 64.34 62.01 3ma3 n VAL 236 Cb 0.50 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 3ma3 n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ma3 n GLY 238 N 1.60 1.10 3.69 0.00 0.00 -0.49 -4.54 105.19 106.55 3ma3 n GLY 238 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3ma3 n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ma3 s ASP 239 N -3.03 -0.34 0.73 1.61 2.15 -1.14 -4.76 116.67 111.88 3ma3 s ASP 239 Ca 0.00 -0.36 -0.11 0.00 0.43 0.00 0.00 52.55 52.51 3ma3 s ASP 239 Cb 0.00 0.63 0.03 0.00 -0.30 0.00 0.00 42.92 43.28 3ma3 s ASP 239 CO 0.00 -1.13 1.08 0.27 -0.17 0.00 0.00 175.17 175.22 3ma3 s ILE 240 N -3.73 3.61 -0.19 4.11 -4.36 -1.26 -3.61 121.20 115.76 3ma3 s ILE 240 Ca 0.08 0.55 0.18 0.00 -0.26 0.00 0.00 60.65 61.20 3ma3 s ILE 240 Cb -0.04 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.54 3ma3 s ILE 240 CO -0.01 -0.66 1.13 1.55 0.24 0.00 0.00 174.94 177.19 3ma3 h PRO 241 N -0.82 0.00 -5.21 0.37 0.13 -1.93 -3.47 132.00 121.08 3ma3 h PRO 241 Ca -0.44 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.26 3ma3 h PRO 241 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 3ma3 h PRO 241 CO 0.54 0.25 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.71 3ma3 s PHE 242 N -3.07 1.15 0.00 1.56 0.08 -1.26 -4.99 117.98 111.45 3ma3 s PHE 242 Ca 0.01 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.71 3ma3 s PHE 242 Cb 0.08 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 3ma3 s PHE 242 CO 0.77 0.02 0.00 0.39 -0.10 0.00 0.00 175.22 176.30 3ma3 n GLU 243 N 1.98 0.57 -3.95 0.44 -0.58 -1.26 -4.91 120.64 112.93 3ma3 n GLU 243 Ca -0.18 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.24 3ma3 n GLU 243 Cb 0.55 -0.88 -0.05 0.00 -0.57 0.00 0.00 31.44 30.49 3ma3 n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3ma3 s HIS 244 N -1.76 3.46 0.32 -0.32 3.76 -1.26 -4.87 115.29 114.62 3ma3 s HIS 244 Ca 0.00 0.27 0.09 0.00 -0.15 0.00 0.00 55.06 55.26 3ma3 s HIS 244 Cb 0.00 -1.77 0.92 0.00 1.11 0.00 0.00 32.58 32.84 3ma3 s HIS 244 CO 0.00 0.60 1.64 -0.44 -0.85 0.00 0.00 174.74 175.69 3ma3 h ASP 245 N 3.55 0.19 0.34 1.40 5.19 -1.98 -1.07 116.42 124.04 3ma3 h ASP 245 Ca -0.47 0.21 -0.15 0.00 -0.62 0.00 0.00 57.03 55.99 3ma3 h ASP 245 Cb 1.17 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.91 3ma3 h ASP 245 CO 0.70 -0.19 -0.63 -0.33 -3.12 0.00 0.00 179.24 175.68 3ma3 h GLU 246 N 0.22 0.28 -0.41 3.56 3.07 -1.98 -0.91 114.58 118.41 3ma3 h GLU 246 Ca 0.65 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 59.22 3ma3 h GLU 246 Cb 1.44 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.37 3ma3 h GLU 246 CO -0.67 0.81 -0.13 0.93 -1.40 0.00 0.00 179.01 178.56 3ma3 h GLU 247 N 0.20 0.82 0.11 2.33 5.08 -1.62 0.74 114.58 122.24 3ma3 h GLU 247 Ca -0.01 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3ma3 h GLU 247 Cb 1.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3ma3 h GLU 247 CO 0.10 0.95 -0.15 0.82 -1.00 0.00 0.00 179.01 179.73 3ma3 h ILE 248 N 0.63 0.65 0.00 3.13 2.04 -0.79 -2.29 117.51 120.89 3ma3 h ILE 248 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3ma3 h ILE 248 Cb 0.67 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3ma3 h ILE 248 CO 0.05 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.50 3ma3 n ILE 249 N -5.28 0.73 0.15 -0.67 -5.35 -0.42 -3.92 119.36 104.60 3ma3 n ILE 249 Ca -0.07 0.05 -0.01 0.00 -0.27 0.00 0.00 62.75 62.45 3ma3 n ILE 249 Cb 0.19 -0.94 0.21 0.00 -1.74 0.00 0.00 39.64 37.36 3ma3 n ILE 249 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3ma3 h GLY 250 N 3.12 0.00 -0.43 3.28 0.00 -0.23 -3.48 103.07 105.33 3ma3 h GLY 250 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 3ma3 h GLY 250 CO 0.00 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 177.04 3ma3 n GLY 251 N 0.11 0.54 3.08 4.60 0.00 -1.24 -5.02 105.19 107.26 3ma3 n GLY 251 Ca -0.01 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3ma3 n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ma3 s GLN 252 N -3.13 2.64 -0.29 1.61 -1.52 -1.26 -4.99 119.66 112.71 3ma3 s GLN 252 Ca 0.00 -0.70 -0.02 0.00 -1.95 0.00 0.00 55.36 52.69 3ma3 s GLN 252 Cb 0.00 -2.31 0.04 0.00 -0.22 0.00 0.00 33.01 30.53 3ma3 s GLN 252 CO 0.00 -0.19 -0.00 0.08 -0.25 0.00 0.00 175.29 174.93 3ma3 s VAL 253 N 1.29 3.05 -0.20 1.09 1.01 -1.26 -5.05 120.40 120.34 3ma3 s VAL 253 Ca 0.03 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 3ma3 s VAL 253 Cb -0.13 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3ma3 s VAL 253 CO -0.10 -0.04 0.18 -0.36 0.00 0.00 0.00 175.10 174.78 3ma3 s PHE 254 N 1.29 3.40 -0.29 5.22 0.08 -1.26 -5.07 117.98 121.35 3ma3 s PHE 254 Ca -0.04 0.37 -0.17 0.00 0.12 0.00 0.00 56.93 57.22 3ma3 s PHE 254 Cb -0.19 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.00 3ma3 s PHE 254 CO -0.01 0.22 0.45 -0.06 -0.10 0.00 0.00 175.22 175.72 3ma3 s PHE 255 N 0.56 3.24 -0.89 0.36 0.08 -1.26 -4.95 117.98 115.12 3ma3 s PHE 255 Ca 0.10 0.42 0.23 0.00 0.12 0.00 0.00 56.93 57.81 3ma3 s PHE 255 Cb -0.12 -2.70 0.20 0.00 -0.57 0.00 0.00 43.02 39.84 3ma3 s PHE 255 CO 0.01 -0.32 1.19 2.89 -0.10 0.00 0.00 175.22 178.89 3ma3 n ARG 256 N 5.49 0.08 -4.44 0.44 1.85 -1.26 -4.90 116.66 113.92 3ma3 n ARG 256 Ca -0.06 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.57 3ma3 n ARG 256 Cb 0.50 -1.53 -0.10 0.00 -1.05 0.00 0.00 32.46 30.28 3ma3 n ARG 256 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ma3 s GLN 257 N -3.05 1.56 -0.14 2.89 -1.52 -1.26 -5.10 119.66 113.04 3ma3 s GLN 257 Ca 0.08 -1.77 -0.29 0.00 -1.95 0.00 0.00 55.36 51.43 3ma3 s GLN 257 Cb 0.16 -1.29 -0.04 0.00 -0.22 0.00 0.00 33.01 31.62 3ma3 s GLN 257 CO 0.77 0.11 1.57 0.50 -0.25 0.00 0.00 175.29 177.99 3ma3 s ARG 258 N -3.67 4.03 -0.03 2.91 6.06 -1.26 -5.00 118.95 121.99 3ma3 s ARG 258 Ca 0.29 1.89 0.02 0.00 -2.50 0.00 0.00 55.73 55.43 3ma3 s ARG 258 Cb 0.02 -3.97 0.01 0.00 0.06 0.00 0.00 34.95 31.07 3ma3 s ARG 258 CO 0.12 -1.00 -0.07 0.08 -2.50 0.00 0.00 175.30 171.93 3ma3 s VAL 259 N 4.42 0.64 0.00 7.11 1.01 -1.26 -5.03 120.40 127.28 3ma3 s VAL 259 Ca 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3ma3 s VAL 259 Cb -0.28 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3ma3 s VAL 259 CO 0.27 0.21 0.00 -1.54 0.00 0.00 0.00 175.10 174.04 3ma3 n SER 260 N 3.44 0.00 0.00 3.32 3.41 -1.26 -4.72 113.62 117.80 3ma3 n SER 260 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3ma3 n SER 260 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3ma3 n SER 260 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ma3 n GLU 262 N 0.00 0.00 -0.05 4.33 -0.58 -1.26 -1.41 120.64 121.67 3ma3 n GLU 262 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3ma3 n GLU 262 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 3ma3 n GLU 262 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ma3 h GLN 264 N -0.06 0.73 -0.47 0.00 4.20 -1.52 -1.21 115.11 116.77 3ma3 h GLN 264 Ca 0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3ma3 h GLN 264 Cb 0.62 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3ma3 h GLN 264 CO 0.03 0.48 0.09 1.25 -0.67 0.00 0.00 178.83 180.01 3ma3 h HIS 265 N 0.75 0.82 -0.61 2.96 2.76 -1.79 -0.28 115.15 119.75 3ma3 h HIS 265 Ca 0.47 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 3ma3 h HIS 265 Cb 0.58 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 3ma3 h HIS 265 CO -0.06 0.76 0.32 1.25 -1.30 0.00 0.00 177.93 178.89 3ma3 h LEU 266 N 0.64 0.78 0.01 0.26 5.85 -0.63 0.70 115.31 122.92 3ma3 h LEU 266 Ca 0.14 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ma3 h LEU 266 Cb 0.37 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3ma3 h LEU 266 CO 0.01 0.67 -0.01 0.40 -0.34 0.00 0.00 178.44 179.17 3ma3 h ILE 267 N 0.83 1.12 -0.89 4.05 2.04 -1.03 -0.19 117.51 123.44 3ma3 h ILE 267 Ca 0.21 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3ma3 h ILE 267 Cb 0.08 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3ma3 h ILE 267 CO -0.03 0.10 0.47 0.03 0.00 0.00 0.00 178.15 178.72 3ma3 h ARG 268 N -0.18 1.25 -0.10 2.37 3.08 -0.82 0.26 114.38 120.24 3ma3 h ARG 268 Ca -0.00 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.92 3ma3 h ARG 268 Cb 0.18 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ma3 h ARG 268 CO 0.00 0.93 -0.07 2.35 -1.07 0.00 0.00 179.97 182.11 3ma3 h TRP 269 N 1.25 -0.17 0.00 3.04 7.01 -0.60 -2.13 115.95 124.36 3ma3 h TRP 269 Ca 0.31 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 3ma3 h TRP 269 Cb 0.05 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3ma3 h TRP 269 CO 0.01 -0.11 -0.07 0.00 -2.79 0.00 0.00 178.44 175.48 3ma3 n LEU 271 N -4.28 6.26 -4.68 0.00 4.77 0.01 -3.84 117.00 115.24 3ma3 n LEU 271 Ca -0.03 -3.30 -0.45 0.00 -0.03 0.00 0.00 56.01 52.21 3ma3 n LEU 271 Cb 0.15 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 3ma3 n LEU 271 CO 0.33 0.90 1.15 0.00 -1.33 0.00 0.00 177.39 178.44 3ma3 n ALA 272 N -0.55 1.56 -0.05 -1.18 0.00 -0.78 -4.90 120.51 114.62 3ma3 n ALA 272 Ca 0.48 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 3ma3 n ALA 272 Cb 1.48 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3ma3 n ALA 272 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ma3 h LEU 273 N 5.23 -0.07 -9.13 0.00 3.38 -1.92 -3.40 115.31 109.41 3ma3 h LEU 273 Ca -0.45 0.05 -0.57 0.00 0.09 0.00 0.00 57.88 56.99 3ma3 h LEU 273 Cb 1.25 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 3ma3 h LEU 273 CO 0.83 -0.01 0.79 -0.60 0.09 0.00 0.00 178.44 179.55 3ma3 s ARG 274 N -6.19 4.28 0.25 1.13 3.52 -1.26 -4.79 118.95 115.89 3ma3 s ARG 274 Ca -0.13 1.45 -0.06 0.00 -0.13 0.00 0.00 55.73 56.86 3ma3 s ARG 274 Cb 0.10 -3.65 0.47 0.00 -1.56 0.00 0.00 34.95 30.31 3ma3 s ARG 274 CO 0.69 -0.60 1.64 -1.35 -0.81 0.00 0.00 175.30 174.87 3ma3 h PRO 275 N 7.58 0.11 0.00 5.12 0.11 -1.96 -1.89 132.00 141.08 3ma3 h PRO 275 Ca -0.23 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3ma3 h PRO 275 Cb 1.09 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ma3 h PRO 275 CO 0.96 0.07 -0.02 0.66 -0.21 0.00 0.00 178.00 179.46 3ma3 h SER 276 N 0.12 0.00 0.83 -2.05 4.64 -1.94 0.21 113.55 115.36 3ma3 h SER 276 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3ma3 h SER 276 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3ma3 h SER 276 CO -0.66 0.02 -0.11 0.47 -0.87 0.00 0.00 176.83 175.68 3ma3 n ASP 277 N -3.21 0.13 -4.82 4.97 8.00 -0.71 -4.89 116.55 116.02 3ma3 n ASP 277 Ca -0.02 0.25 -0.32 0.00 0.71 0.00 0.00 54.79 55.41 3ma3 n ASP 277 Cb 0.17 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3ma3 n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ma3 s ARG 278 N -2.94 3.46 0.61 -1.24 0.52 0.06 -4.88 118.95 114.54 3ma3 s ARG 278 Ca 0.15 1.08 -0.15 0.00 -0.52 0.00 0.00 55.73 56.29 3ma3 s ARG 278 Cb 0.19 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 3ma3 s ARG 278 CO 0.56 -0.68 1.05 -1.25 0.02 0.00 0.00 175.30 174.99 3ma3 s PRO 279 N -4.26 3.31 0.84 3.54 0.04 -1.26 -5.06 135.00 132.15 3ma3 s PRO 279 Ca 0.61 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 3ma3 s PRO 279 Cb -0.14 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.46 3ma3 s PRO 279 CO 0.39 -0.81 1.17 0.95 0.04 0.00 0.00 177.00 178.74 3ma3 s THR 280 N -2.60 2.00 0.18 1.26 -4.23 -1.26 -4.87 115.64 106.11 3ma3 s THR 280 Ca 0.62 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 3ma3 s THR 280 Cb -0.15 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.84 3ma3 s THR 280 CO 0.40 0.00 1.84 -0.26 -0.54 0.00 0.00 174.62 176.06 3ma3 h PHE 281 N -1.17 0.73 -0.51 3.99 0.04 -1.97 -0.92 116.94 117.13 3ma3 h PHE 281 Ca -0.47 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.38 3ma3 h PHE 281 Cb 1.33 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 39.18 3ma3 h PHE 281 CO 0.30 0.47 0.19 1.49 -0.60 0.00 0.00 178.31 180.16 3ma3 h GLU 282 N 0.78 0.36 -0.88 1.51 4.81 -1.98 -0.35 114.58 118.83 3ma3 h GLU 282 Ca 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3ma3 h GLU 282 Cb -0.08 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3ma3 h GLU 282 CO -0.04 0.24 0.57 0.93 -0.73 0.00 0.00 179.01 179.97 3ma3 h GLU 283 N 0.37 1.17 -0.26 1.92 5.08 -1.78 0.11 114.58 121.19 3ma3 h GLU 283 Ca 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3ma3 h GLU 283 Cb 0.25 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ma3 h GLU 283 CO -0.24 0.79 0.14 0.82 -1.00 0.00 0.00 179.01 179.52 3ma3 h ILE 284 N 1.20 1.12 0.00 3.13 2.04 -0.68 -1.85 117.51 122.48 3ma3 h ILE 284 Ca 0.32 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3ma3 h ILE 284 Cb -0.11 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3ma3 h ILE 284 CO -0.07 0.12 0.00 1.56 0.00 0.00 0.00 178.15 179.77 3ma3 h GLN 285 N 0.31 0.00 -0.00 2.37 4.20 -0.62 -2.24 115.11 119.13 3ma3 h GLN 285 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3ma3 h GLN 285 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3ma3 h GLN 285 CO -0.01 0.00 -0.32 0.09 -0.67 0.00 0.00 178.83 177.91 3ma3 n ASN 286 N -2.98 0.82 -4.76 1.46 3.02 0.35 -4.79 115.26 108.38 3ma3 n ASN 286 Ca 0.03 -0.66 -0.40 0.00 -0.03 0.00 0.00 54.58 53.52 3ma3 n ASN 286 Cb 0.41 0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.75 3ma3 n ASN 286 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ma3 s HIS 287 N -2.66 2.43 0.44 3.10 2.46 -0.71 -4.90 115.29 115.45 3ma3 s HIS 287 Ca 0.20 1.27 0.14 0.00 0.47 0.00 0.00 55.06 57.14 3ma3 s HIS 287 Cb 0.19 -3.92 1.05 0.00 -0.13 0.00 0.00 32.58 29.77 3ma3 s HIS 287 CO 0.57 -2.96 1.99 -1.35 -2.47 0.00 0.00 174.74 170.53 3ma3 h PRO 288 N 2.24 0.37 0.00 2.88 0.10 -1.91 -1.19 132.00 134.49 3ma3 h PRO 288 Ca -0.51 -0.02 -0.01 0.00 0.10 0.00 0.00 66.00 65.56 3ma3 h PRO 288 Cb 1.27 -0.08 -0.00 0.00 0.10 0.00 0.00 31.00 32.28 3ma3 h PRO 288 CO 0.61 0.24 -0.04 2.35 0.10 0.00 0.00 178.00 181.26 3ma3 h TRP 289 N 0.38 0.00 -0.01 0.65 7.01 -1.91 -2.92 115.95 119.15 3ma3 h TRP 289 Ca 0.26 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3ma3 h TRP 289 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 3ma3 h TRP 289 CO -0.00 0.04 -0.03 -1.33 -2.79 0.00 0.00 178.44 174.33 3ma3 n MET 290 N -3.60 1.41 -2.73 2.65 2.81 -0.45 -4.94 117.12 112.28 3ma3 n MET 290 Ca -0.02 -0.70 -0.32 0.00 -1.81 0.00 0.00 57.70 54.84 3ma3 n MET 290 Cb 0.14 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 3ma3 n MET 290 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3ma3 s GLN 291 N -2.07 4.06 -1.10 0.03 -0.21 -1.11 -4.11 119.66 115.15 3ma3 s GLN 291 Ca 0.38 0.94 -0.04 0.00 0.02 0.00 0.00 55.36 56.66 3ma3 s GLN 291 Cb 0.21 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 32.00 3ma3 s GLN 291 CO 0.37 -0.08 0.94 -0.25 -2.12 0.00 0.00 175.29 174.14 3ma3 n ASP 292 N -0.98 -4.10 -4.77 5.90 8.00 -1.26 -4.96 116.55 114.38 3ma3 n ASP 292 Ca 0.06 -0.49 -0.41 0.00 0.71 0.00 0.00 54.79 54.66 3ma3 n ASP 292 Cb 0.54 -4.41 -0.02 0.00 -0.02 0.00 0.00 41.12 37.22 3ma3 n ASP 292 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ma3 s VAL 293 N -3.29 2.56 0.50 2.53 0.11 -1.26 -5.00 120.40 116.55 3ma3 s VAL 293 Ca 0.28 0.56 -0.21 0.00 -2.93 0.00 0.00 61.98 59.67 3ma3 s VAL 293 Cb -0.12 -3.35 -0.07 0.00 -1.53 0.00 0.00 36.38 31.31 3ma3 s VAL 293 CO 0.62 0.13 1.15 -0.76 -3.33 0.00 0.00 175.10 172.91 3ma3 s LEU 294 N -1.68 3.90 0.82 2.54 1.43 -1.26 -5.04 118.68 119.39 3ma3 s LEU 294 Ca 0.51 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.75 3ma3 s LEU 294 Cb -0.41 -4.39 0.08 0.00 0.03 0.00 0.00 46.19 41.50 3ma3 s LEU 294 CO 0.54 -1.05 1.09 -0.76 0.23 0.00 0.00 176.35 176.40 3ma3 s LEU 295 N -3.37 2.58 0.17 1.79 1.43 -1.26 -4.85 118.68 115.16 3ma3 s LEU 295 Ca 0.68 1.47 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 3ma3 s LEU 295 Cb -0.27 -4.04 0.05 0.00 0.03 0.00 0.00 46.19 41.96 3ma3 s LEU 295 CO 0.31 -2.18 1.80 -0.65 0.23 0.00 0.00 176.35 175.86 3ma3 h PRO 296 N -1.23 0.69 -0.00 1.29 0.11 -1.84 -1.64 132.00 129.37 3ma3 h PRO 296 Ca -0.47 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3ma3 h PRO 296 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3ma3 h PRO 296 CO 0.56 0.50 -0.06 1.96 -0.21 0.00 0.00 178.00 180.76 3ma3 h GLN 297 N 0.68 -0.10 -0.50 1.05 1.08 -1.84 0.80 115.11 116.28 3ma3 h GLN 297 Ca 0.18 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.49 3ma3 h GLN 297 Cb -0.01 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.35 3ma3 h GLN 297 CO -0.03 -0.07 -0.18 0.93 -0.95 0.00 0.00 178.83 178.53 3ma3 h GLU 298 N -0.11 -0.06 -0.73 1.46 5.08 -1.90 0.36 114.58 118.68 3ma3 h GLU 298 Ca 0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3ma3 h GLU 298 Cb 0.14 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3ma3 h GLU 298 CO -0.06 -0.04 0.44 1.15 -1.00 0.00 0.00 179.01 179.49 3ma3 h THR 299 N -0.07 1.03 -0.30 1.13 2.02 -0.58 0.33 112.91 116.47 3ma3 h THR 299 Ca 0.24 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3ma3 h THR 299 Cb 0.43 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3ma3 h THR 299 CO -0.55 0.15 0.09 0.00 0.37 0.00 0.00 175.52 175.58 3ma3 h ALA 300 N 1.35 0.39 -0.35 6.16 0.00 0.13 0.02 119.26 126.96 3ma3 h ALA 300 Ca 0.31 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ma3 h ALA 300 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ma3 h ALA 300 CO -0.16 0.03 -0.13 0.93 0.00 0.00 0.00 179.25 179.93 3ma3 h GLU 301 N 0.32 0.71 -0.00 0.00 5.08 0.38 0.14 114.58 121.21 3ma3 h GLU 301 Ca 0.10 -0.29 -0.21 0.00 -1.00 0.00 0.00 59.36 57.96 3ma3 h GLU 301 Cb 0.26 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ma3 h GLU 301 CO -0.00 0.89 -0.90 0.82 -1.00 0.00 0.00 179.01 178.82 3ma3 h ILE 302 N 0.50 1.45 0.00 3.13 2.04 -0.37 -3.40 117.51 120.84 3ma3 h ILE 302 Ca 0.08 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.43 3ma3 h ILE 302 Cb 0.65 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3ma3 h ILE 302 CO 0.04 0.74 -0.53 1.41 0.00 0.00 0.00 178.15 179.81 3ma3 n HIS 303 N -3.71 0.00 -0.04 1.37 8.25 -0.01 -4.89 115.22 116.19 3ma3 n HIS 303 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.36 3ma3 n HIS 303 Cb 0.81 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.88 3ma3 n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ma3 n LEU 304 N -1.01 2.13 0.00 2.41 4.77 -0.18 -5.01 117.00 120.11 3ma3 n LEU 304 Ca 0.00 -0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 3ma3 n LEU 304 Cb 0.00 -0.18 0.69 0.00 -2.33 0.00 0.00 43.42 41.60 3ma3 n LEU 304 CO 0.00 0.52 0.87 1.41 -1.33 0.00 0.00 177.39 178.86