#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mh4 s MET 12 N 0.00 4.32 0.27 -1.09 -1.94 -1.26 -5.01 119.30 114.60 3mh4 s MET 12 Ca 0.00 1.80 -0.30 0.00 -1.71 0.00 0.00 55.69 55.48 3mh4 s MET 12 Cb 0.00 -2.87 -0.10 0.00 2.01 0.00 0.00 34.83 33.87 3mh4 s MET 12 CO 0.00 -0.08 1.38 -2.14 -0.01 0.00 0.00 175.02 174.18 3mh4 s PRO 13 N -1.98 4.30 0.07 2.03 0.02 -1.26 -5.04 135.00 133.16 3mh4 s PRO 13 Ca 0.52 2.26 -0.17 0.00 0.02 0.00 0.00 61.00 63.62 3mh4 s PRO 13 Cb -0.30 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.15 3mh4 s PRO 13 CO 0.39 -0.33 0.41 0.45 -0.33 0.00 0.00 177.00 177.59 3mh4 s SER 14 N 0.06 -0.27 0.13 2.53 0.15 -1.26 -5.02 113.70 110.03 3mh4 s SER 14 Ca 0.55 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.35 3mh4 s SER 14 Cb -0.41 0.44 0.81 0.00 -1.71 0.00 0.00 66.02 65.16 3mh4 s SER 14 CO 0.47 -0.74 1.71 0.18 1.20 0.00 0.00 173.24 176.06 3mh4 n LEU 15 N 0.23 0.57 -0.11 3.45 4.77 -1.26 -4.42 117.00 120.23 3mh4 n LEU 15 Ca -0.18 0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 3mh4 n LEU 15 Cb 0.61 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3mh4 n LEU 15 CO 0.19 -0.09 0.79 0.00 -1.33 0.00 0.00 177.39 176.95 3mh4 h ALA 16 N 2.67 0.24 -0.37 -1.18 0.00 -1.97 0.38 119.26 119.03 3mh4 h ALA 16 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3mh4 h ALA 16 Cb 0.66 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3mh4 h ALA 16 CO 0.00 -0.46 -0.22 -1.35 0.00 0.00 0.00 179.25 177.22 3mh4 h PRO 17 N -0.01 -0.01 -0.14 0.00 0.11 -2.00 0.29 132.00 130.24 3mh4 h PRO 17 Ca 0.18 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 3mh4 h PRO 17 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3mh4 h PRO 17 CO -0.38 -0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.18 3mh4 h MET 18 N -0.01 0.25 -0.16 1.05 -0.00 -1.74 -2.25 114.93 112.08 3mh4 h MET 18 Ca 0.06 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.66 3mh4 h MET 18 Cb 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 3mh4 h MET 18 CO -0.35 0.47 -0.00 1.25 -0.00 0.00 0.00 176.91 178.27 3mh4 h LEU 19 N 0.23 0.20 -0.55 -0.10 5.85 0.40 0.50 115.31 121.84 3mh4 h LEU 19 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mh4 h LEU 19 Cb 0.53 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3mh4 h LEU 19 CO 0.04 0.25 0.00 -0.33 -0.34 0.00 0.00 178.44 178.06 3mh4 h GLU 20 N 0.22 0.00 0.00 1.25 5.08 0.14 0.84 114.58 122.12 3mh4 h GLU 20 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3mh4 h GLU 20 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3mh4 h GLU 20 CO 0.00 0.00 -1.20 0.87 -1.00 0.00 0.00 179.01 177.68 3mh4 h LYS 21 N 0.00 0.00 0.04 2.33 1.57 -0.89 -3.39 116.57 116.23 3mh4 h LYS 21 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 3mh4 h LYS 21 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 3mh4 h LYS 21 CO 0.00 0.35 -1.90 0.28 -0.57 0.00 0.00 179.45 177.62 3mh4 n VAL 22 N -2.97 1.63 -0.28 0.50 0.31 -0.69 -4.51 118.33 112.32 3mh4 n VAL 22 Ca -0.07 -0.75 0.12 0.00 -0.01 0.00 0.00 64.34 63.63 3mh4 n VAL 22 Cb 0.82 -1.20 0.37 0.00 -0.91 0.00 0.00 33.84 32.92 3mh4 n VAL 22 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3mh4 h MET 23 N 0.02 0.69 -0.70 5.55 2.86 -1.03 -1.53 114.93 120.80 3mh4 h MET 23 Ca -0.37 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.36 3mh4 h MET 23 Cb 2.04 -0.16 -0.09 0.00 0.06 0.00 0.00 31.60 33.45 3mh4 h MET 23 CO 0.07 0.46 0.24 -1.35 1.06 0.00 0.00 176.91 177.39 3mh4 h PRO 24 N 0.71 0.38 -0.00 -0.22 0.11 -1.81 -2.29 132.00 128.88 3mh4 h PRO 24 Ca 0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3mh4 h PRO 24 Cb 0.72 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3mh4 h PRO 24 CO -0.22 0.25 -0.00 0.43 -0.21 0.00 0.00 178.00 178.25 3mh4 n SER 25 N -5.04 0.01 -4.87 -2.05 7.64 -0.58 -4.58 113.62 104.15 3mh4 n SER 25 Ca 0.12 -0.34 -0.35 0.00 1.01 0.00 0.00 58.87 59.31 3mh4 n SER 25 Cb 0.37 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 3mh4 n SER 25 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mh4 s VAL 26 N -2.44 5.20 0.05 0.44 1.01 -0.86 -0.91 120.40 122.88 3mh4 s VAL 26 Ca 0.33 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3mh4 s VAL 26 Cb 0.21 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3mh4 s VAL 26 CO 0.44 0.36 -0.04 0.68 0.00 0.00 0.00 175.10 176.54 3mh4 s VAL 27 N -1.31 0.34 -0.23 2.92 -7.23 0.04 -4.04 120.40 110.89 3mh4 s VAL 27 Ca 0.29 -1.57 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 3mh4 s VAL 27 Cb -0.14 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 3mh4 s VAL 27 CO 0.16 -0.80 0.11 -0.55 -0.31 0.00 0.00 175.10 173.71 3mh4 s SER 28 N -2.50 5.66 -0.22 4.85 0.15 -0.60 -1.58 113.70 119.45 3mh4 s SER 28 Ca 0.02 -0.00 -0.09 0.00 0.70 0.00 0.00 55.95 56.57 3mh4 s SER 28 Cb 0.02 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 3mh4 s SER 28 CO -0.06 0.06 0.11 -0.63 1.20 0.00 0.00 173.24 173.92 3mh4 s ILE 29 N 1.07 4.96 -0.40 6.45 1.01 -0.67 -1.35 121.20 132.27 3mh4 s ILE 29 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 3mh4 s ILE 29 Cb -0.14 -3.29 0.10 0.00 0.01 0.00 0.00 42.46 39.14 3mh4 s ILE 29 CO 0.04 0.38 0.20 0.20 0.00 0.00 0.00 174.94 175.75 3mh4 s ASN 30 N 0.97 5.27 0.08 3.58 0.01 0.30 -2.03 114.94 123.12 3mh4 s ASN 30 Ca 0.06 -1.93 -0.15 0.00 -0.71 0.00 0.00 52.86 50.13 3mh4 s ASN 30 Cb -0.14 -1.84 -0.06 0.00 0.41 0.00 0.00 41.25 39.62 3mh4 s ASN 30 CO 0.03 -0.53 0.50 -0.69 -1.51 0.00 0.00 177.10 174.91 3mh4 s VAL 31 N 1.18 4.89 -0.08 1.60 1.01 -0.57 -1.61 120.40 126.82 3mh4 s VAL 31 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3mh4 s VAL 31 Cb -0.23 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3mh4 s VAL 31 CO -0.03 0.42 -0.07 -0.70 0.00 0.00 0.00 175.10 174.72 3mh4 s GLU 32 N -1.50 1.28 0.28 2.72 2.12 0.65 -2.20 118.70 122.05 3mh4 s GLU 32 Ca 0.31 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 3mh4 s GLU 32 Cb -0.17 -1.31 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 3mh4 s GLU 32 CO 0.18 -0.18 0.31 0.20 -0.54 0.00 0.00 175.26 175.23 3mh4 s GLY 33 N 1.40 1.52 0.20 -1.50 0.00 -1.05 -0.36 107.32 107.53 3mh4 s GLY 33 Ca -0.02 -1.61 0.10 0.00 0.00 0.00 0.00 44.72 43.20 3mh4 s GLY 33 CO -0.04 -1.18 -0.21 -0.45 0.00 0.00 0.00 173.10 171.22 3mh4 s SER 34 N -3.21 3.15 -0.12 1.64 0.15 -1.21 -0.74 113.70 113.37 3mh4 s SER 34 Ca 0.34 -0.91 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 3mh4 s SER 34 Cb 0.03 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 3mh4 s SER 34 CO 0.17 0.03 0.45 0.28 1.20 0.00 0.00 173.24 175.38 3mh4 s THR 35 N -2.07 0.01 0.04 6.45 -1.32 -0.25 -4.85 115.64 113.65 3mh4 s THR 35 Ca 0.21 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.28 3mh4 s THR 35 Cb -0.06 -0.68 -0.06 0.00 -1.51 0.00 0.00 72.50 70.20 3mh4 s THR 35 CO 0.10 -0.06 1.26 -0.89 -2.21 0.00 0.00 174.62 172.82 3mh4 s THR 36 N -0.26 3.91 0.06 5.08 2.01 -1.26 -0.81 115.64 124.37 3mh4 s THR 36 Ca -0.04 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.32 3mh4 s THR 36 Cb -0.03 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3mh4 s THR 36 CO 0.02 0.07 -0.07 0.54 -0.69 0.00 0.00 174.62 174.49 3mh4 s VAL 37 N 1.45 0.61 0.26 3.82 0.11 0.16 -4.95 120.40 121.85 3mh4 s VAL 37 Ca 0.60 -1.43 -0.30 0.00 -2.93 0.00 0.00 61.98 57.92 3mh4 s VAL 37 Cb -0.30 -1.05 -0.10 0.00 -1.53 0.00 0.00 36.38 33.40 3mh4 s VAL 37 CO 0.28 -0.58 1.41 0.20 -3.33 0.00 0.00 175.10 173.08 3mh4 s ASN 38 N -2.17 6.68 0.07 3.54 0.01 -1.26 -1.26 114.94 120.55 3mh4 s ASN 38 Ca -0.01 2.65 -0.31 0.00 -0.71 0.00 0.00 52.86 54.48 3mh4 s ASN 38 Cb -0.04 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.92 3mh4 s ASN 38 CO -0.02 -0.67 1.46 -0.89 -1.51 0.00 0.00 177.10 175.47 3mh4 s THR 39 N -0.16 3.36 0.20 1.60 2.01 -1.26 -4.87 115.64 116.53 3mh4 s THR 39 Ca 0.58 0.88 -0.32 0.00 0.31 0.00 0.00 61.69 63.14 3mh4 s THR 39 Cb -0.41 -3.56 -0.12 0.00 0.01 0.00 0.00 72.50 68.42 3mh4 s THR 39 CO 0.44 0.03 1.69 -2.84 -0.69 0.00 0.00 174.62 173.26 3mh4 s PRO 40 N 1.88 4.14 -0.14 4.92 0.02 -1.26 -4.99 135.00 139.57 3mh4 s PRO 40 Ca 0.66 2.56 -0.16 0.00 0.02 0.00 0.00 61.00 64.09 3mh4 s PRO 40 Cb -0.36 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3mh4 s PRO 40 CO 0.29 -0.73 0.39 0.50 -0.33 0.00 0.00 177.00 177.13 3mh4 s ARG 41 N 1.16 4.29 0.19 5.54 3.00 -1.26 -5.09 118.95 126.79 3mh4 s ARG 41 Ca 0.74 0.27 0.01 0.00 -1.00 0.00 0.00 55.73 55.76 3mh4 s ARG 41 Cb -0.49 -3.44 -0.05 0.00 0.00 0.00 0.00 34.95 30.98 3mh4 s ARG 41 CO 0.32 0.18 0.03 -1.64 0.00 0.00 0.00 175.30 174.19 3mh4 s MET 42 N 0.60 1.16 0.63 5.12 -1.94 -1.26 -4.43 119.30 119.18 3mh4 s MET 42 Ca 0.21 -1.58 -0.18 0.00 -1.71 0.00 0.00 55.69 52.44 3mh4 s MET 42 Cb -0.14 -0.22 -0.01 0.00 2.01 0.00 0.00 34.83 36.47 3mh4 s MET 42 CO 0.07 -0.18 1.20 -2.14 -0.01 0.00 0.00 175.02 173.96 3mh4 s PRO 43 N -3.96 2.76 -0.24 2.03 0.02 -1.26 -5.34 135.00 129.01 3mh4 s PRO 43 Ca 0.27 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.79 3mh4 s PRO 43 Cb 0.07 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.69 3mh4 s PRO 43 CO 0.06 -1.36 1.01 1.03 -0.33 0.00 0.00 177.00 177.41 3mh4 s ARG 44 N -3.54 4.23 -0.10 5.54 0.52 -1.26 -5.28 118.95 119.06 3mh4 s ARG 44 Ca 0.76 1.26 -0.05 0.00 -0.52 0.00 0.00 55.73 57.18 3mh4 s ARG 44 Cb -0.29 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 3mh4 s ARG 44 CO 0.37 -0.64 0.10 0.20 0.02 0.00 0.00 175.30 175.34 3mh4 s GLY 79 N 1.27 2.07 0.13 -3.53 0.00 -1.26 -5.26 107.32 100.74 3mh4 s GLY 79 Ca 0.43 -0.70 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 3mh4 s GLY 79 CO 0.07 -0.45 0.21 -0.86 0.00 0.00 0.00 173.10 172.07 3mh4 s GLN 80 N -1.03 1.01 -0.16 2.90 -2.07 -0.39 -4.90 119.66 115.02 3mh4 s GLN 80 Ca 0.15 -1.15 -0.20 0.00 -1.82 0.00 0.00 55.36 52.34 3mh4 s GLN 80 Cb -0.12 0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 3mh4 s GLN 80 CO 0.04 -0.34 0.59 -0.65 -1.32 0.00 0.00 175.29 173.61 3mh4 s GLN 81 N -3.94 4.27 -0.09 9.60 -1.52 -1.26 -0.66 119.66 126.05 3mh4 s GLN 81 Ca 0.14 0.58 0.04 0.00 -1.95 0.00 0.00 55.36 54.17 3mh4 s GLN 81 Cb 0.05 -3.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.30 3mh4 s GLN 81 CO -0.04 -0.10 -0.23 -1.14 -0.25 0.00 0.00 175.29 173.54 3mh4 s GLN 82 N 1.44 2.88 -0.00 2.91 0.74 0.01 -4.91 119.66 122.74 3mh4 s GLN 82 Ca 0.28 -0.86 -0.24 0.00 0.05 0.00 0.00 55.36 54.60 3mh4 s GLN 82 Cb -0.16 -2.29 -0.05 0.00 1.10 0.00 0.00 33.01 31.61 3mh4 s GLN 82 CO 0.11 0.28 0.74 0.15 -0.55 0.00 0.00 175.29 176.02 3mh4 s LYS 83 N 0.10 4.46 0.40 1.67 1.02 -1.26 -1.08 119.74 125.04 3mh4 s LYS 83 Ca -0.11 0.99 0.04 0.00 0.02 0.00 0.00 55.97 56.91 3mh4 s LYS 83 Cb -0.16 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 3mh4 s LYS 83 CO 0.06 0.20 0.07 -0.59 -0.92 0.00 0.00 175.35 174.17 3mh4 s PHE 84 N 0.29 1.93 -0.07 3.18 -0.12 0.08 -5.00 117.98 118.27 3mh4 s PHE 84 Ca 0.38 -1.06 -0.02 0.00 -0.05 0.00 0.00 56.93 56.18 3mh4 s PHE 84 Cb -0.19 -1.33 0.03 0.00 -0.63 0.00 0.00 43.02 40.90 3mh4 s PHE 84 CO 0.21 -0.04 0.04 -1.64 -0.05 0.00 0.00 175.22 173.74 3mh4 s MET 85 N -3.80 0.22 0.21 1.99 -1.94 -1.26 -2.53 119.30 112.19 3mh4 s MET 85 Ca 0.26 0.21 0.05 0.00 -1.71 0.00 0.00 55.69 54.50 3mh4 s MET 85 Cb 0.05 -0.85 -0.03 0.00 2.01 0.00 0.00 34.83 36.01 3mh4 s MET 85 CO 0.13 -0.36 0.25 0.00 -0.01 0.00 0.00 175.02 175.04 3mh4 s ALA 86 N 2.08 3.76 -0.19 3.03 0.00 -0.93 -4.98 121.76 124.52 3mh4 s ALA 86 Ca 0.05 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 3mh4 s ALA 86 Cb -0.13 -1.53 0.07 0.00 0.00 0.00 0.00 23.12 21.54 3mh4 s ALA 86 CO -0.05 0.34 0.44 -1.17 0.00 0.00 0.00 175.76 175.33 3mh4 s LEU 87 N -3.64 -0.37 0.00 0.00 0.20 -1.26 -1.51 118.68 112.10 3mh4 s LEU 87 Ca 0.33 0.98 0.00 0.00 0.69 0.00 0.00 54.13 56.14 3mh4 s LEU 87 Cb -0.09 1.44 0.00 0.00 -0.43 0.00 0.00 46.19 47.11 3mh4 s LEU 87 CO 0.27 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.72 3mh4 n GLY 88 N 4.69 3.93 3.41 7.98 0.00 -0.86 -5.00 105.19 119.33 3mh4 n GLY 88 Ca -0.18 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 3mh4 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mh4 s SER 89 N -0.22 2.56 0.18 1.61 0.01 -1.26 -1.66 113.70 114.92 3mh4 s SER 89 Ca 0.00 -1.21 -0.23 0.00 1.31 0.00 0.00 55.95 55.82 3mh4 s SER 89 Cb 0.00 -0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.15 3mh4 s SER 89 CO 0.00 -0.39 0.76 -0.83 0.41 0.00 0.00 173.24 173.19 3mh4 s GLY 90 N -3.42 -0.31 -0.08 3.44 0.00 -0.61 -4.46 107.32 101.87 3mh4 s GLY 90 Ca 0.30 0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.22 3mh4 s GLY 90 CO 0.11 0.05 -0.21 0.14 0.00 0.00 0.00 173.10 173.20 3mh4 s VAL 91 N -3.63 2.39 -0.16 1.40 1.01 -0.45 -0.78 120.40 120.18 3mh4 s VAL 91 Ca 0.08 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 3mh4 s VAL 91 Cb -0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3mh4 s VAL 91 CO -0.01 0.56 1.60 -0.63 0.00 0.00 0.00 175.10 176.61 3mh4 s ILE 92 N 0.01 3.72 -0.15 2.22 1.01 -0.09 -0.49 121.20 127.43 3mh4 s ILE 92 Ca -0.07 0.83 0.07 0.00 0.00 0.00 0.00 60.65 61.48 3mh4 s ILE 92 Cb -0.15 -3.64 -0.14 0.00 0.01 0.00 0.00 42.46 38.54 3mh4 s ILE 92 CO 0.05 -0.19 -0.04 -0.38 0.00 0.00 0.00 174.94 174.38 3mh4 n ILE 93 N 5.98 0.94 -3.87 2.92 -0.00 0.13 -1.81 119.36 123.65 3mh4 n ILE 93 Ca 0.18 -0.48 -0.30 0.00 -0.00 0.00 0.00 62.75 62.15 3mh4 n ILE 93 Cb 0.44 -0.85 -0.15 0.00 -0.00 0.00 0.00 39.64 39.08 3mh4 n ILE 93 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3mh4 s ASP 94 N -5.09 4.23 0.33 4.38 -1.08 -1.13 -4.68 116.67 113.63 3mh4 s ASP 94 Ca -0.14 -1.72 0.03 0.00 -0.52 0.00 0.00 52.55 50.21 3mh4 s ASP 94 Cb 0.05 -1.19 0.63 0.00 -1.46 0.00 0.00 42.92 40.95 3mh4 s ASP 94 CO 0.48 -0.37 1.94 0.00 0.52 0.00 0.00 175.17 177.74 3mh4 h ALA 95 N 7.90 1.60 0.06 3.66 0.00 -1.87 0.24 119.26 130.85 3mh4 h ALA 95 Ca -0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mh4 h ALA 95 Cb 1.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3mh4 h ALA 95 CO 0.47 0.28 -0.03 0.22 0.00 0.00 0.00 179.25 180.19 3mh4 h ASP 96 N 0.90 -0.07 1.52 0.00 -0.00 -1.95 -3.27 116.42 113.55 3mh4 h ASP 96 Ca 0.35 -0.56 -0.00 0.00 -0.00 0.00 0.00 57.03 56.82 3mh4 h ASP 96 Cb 0.21 0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3mh4 h ASP 96 CO -0.12 0.62 -0.02 0.11 -0.00 0.00 0.00 179.24 179.83 3mh4 h LYS 97 N -0.87 0.00 -2.95 0.28 1.79 -1.97 -3.46 116.57 109.38 3mh4 h LYS 97 Ca -0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 3mh4 h LYS 97 Cb 0.62 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.31 3mh4 h LYS 97 CO 0.01 0.02 -0.19 0.41 -1.08 0.00 0.00 179.45 178.63 3mh4 n GLY 98 N 0.60 0.27 3.69 3.86 0.00 0.71 -4.40 105.19 109.92 3mh4 n GLY 98 Ca 0.02 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3mh4 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mh4 s TYR 99 N -3.09 3.46 -0.22 1.61 4.12 -0.48 0.85 117.35 123.61 3mh4 s TYR 99 Ca 0.01 0.99 0.00 0.00 0.02 0.00 0.00 57.07 58.10 3mh4 s TYR 99 Cb -0.00 -2.73 0.06 0.00 -1.52 0.00 0.00 41.96 37.77 3mh4 s TYR 99 CO 0.17 -0.01 -0.05 0.08 0.02 0.00 0.00 175.55 175.76 3mh4 s VAL 100 N 1.26 1.43 0.42 0.71 1.01 0.66 0.18 120.40 126.07 3mh4 s VAL 100 Ca 0.30 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3mh4 s VAL 100 Cb -0.16 -1.67 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 3mh4 s VAL 100 CO 0.12 -0.04 1.08 0.54 0.00 0.00 0.00 175.10 176.81 3mh4 s VAL 101 N 1.46 3.54 0.32 2.92 0.11 0.36 -1.56 120.40 127.55 3mh4 s VAL 101 Ca -0.04 1.17 -0.11 0.00 -2.93 0.00 0.00 61.98 60.07 3mh4 s VAL 101 Cb -0.18 -3.59 0.04 0.00 -1.53 0.00 0.00 36.38 31.12 3mh4 s VAL 101 CO -0.07 -0.01 0.62 1.07 -3.33 0.00 0.00 175.10 173.38 3mh4 n THR 102 N -0.22 0.00 -3.32 5.04 5.66 0.24 -1.34 114.28 120.34 3mh4 n THR 102 Ca 0.06 -0.90 -0.38 0.00 -3.05 0.00 0.00 64.05 59.77 3mh4 n THR 102 Cb 0.49 0.82 -0.06 0.00 -1.55 0.00 0.00 70.33 70.04 3mh4 n THR 102 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3mh4 s ASN 103 N -2.71 6.85 0.35 1.09 -0.87 -1.26 0.20 114.94 118.60 3mh4 s ASN 103 Ca 0.14 1.01 0.07 0.00 -1.57 0.00 0.00 52.86 52.52 3mh4 s ASN 103 Cb -0.04 -2.31 0.76 0.00 -0.02 0.00 0.00 41.25 39.64 3mh4 s ASN 103 CO 0.11 0.15 1.91 -1.13 -2.57 0.00 0.00 177.10 175.57 3mh4 h ASN 104 N 5.62 0.68 0.00 -1.22 -0.73 -1.61 -1.44 115.58 116.88 3mh4 h ASN 104 Ca -0.46 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.73 3mh4 h ASN 104 Cb 1.20 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.67 3mh4 h ASN 104 CO 0.69 0.40 0.00 0.00 -0.37 0.00 0.00 177.43 178.14 3mh4 n HIS 105 N -4.51 0.00 -0.01 0.67 1.44 -1.26 -0.93 115.22 110.61 3mh4 n HIS 105 Ca 0.14 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.83 3mh4 n HIS 105 Cb 0.34 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.43 3mh4 n HIS 105 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3mh4 n VAL 106 N -0.46 0.19 0.27 0.61 0.31 -0.55 -4.70 118.33 114.00 3mh4 n VAL 106 Ca 0.00 -0.10 0.03 0.00 -0.01 0.00 0.00 64.34 64.26 3mh4 n VAL 106 Cb 0.01 -0.84 0.01 0.00 -0.91 0.00 0.00 33.84 32.11 3mh4 n VAL 106 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3mh4 n VAL 107 N -2.25 0.00 -1.95 2.52 3.14 -1.03 -4.62 118.33 114.14 3mh4 n VAL 107 Ca -0.05 -0.47 -0.40 0.00 -2.96 0.00 0.00 64.34 60.46 3mh4 n VAL 107 Cb 0.58 1.10 -0.00 0.00 -1.06 0.00 0.00 33.84 34.46 3mh4 n VAL 107 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3mh4 s ASP 108 N -0.78 6.39 -1.66 6.55 -1.08 -0.11 -3.01 116.67 122.96 3mh4 s ASP 108 Ca 0.06 2.84 -0.01 0.00 -0.52 0.00 0.00 52.55 54.92 3mh4 s ASP 108 Cb 0.05 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 3mh4 s ASP 108 CO 0.12 -0.82 0.09 0.59 0.52 0.00 0.00 175.17 175.67 3mh4 n ASN 109 N 0.38 -5.67 -4.79 -0.34 3.02 -1.26 -4.95 115.26 101.65 3mh4 n ASN 109 Ca 0.02 -0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.15 3mh4 n ASN 109 Cb 0.41 -4.71 -0.06 0.00 -0.61 0.00 0.00 39.78 34.81 3mh4 n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mh4 s ALA 110 N -3.01 3.54 -0.20 5.41 0.00 -1.16 -3.28 121.76 123.05 3mh4 s ALA 110 Ca 0.05 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 3mh4 s ALA 110 Cb -0.02 -2.72 -0.11 0.00 0.00 0.00 0.00 23.12 20.27 3mh4 s ALA 110 CO 0.06 0.32 -0.21 2.41 0.00 0.00 0.00 175.76 178.33 3mh4 n THR 111 N 1.97 1.11 -4.13 0.00 -1.04 0.52 -4.93 114.28 107.77 3mh4 n THR 111 Ca -0.09 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.05 61.31 3mh4 n THR 111 Cb 0.50 -1.45 -0.17 0.00 -1.82 0.00 0.00 70.33 67.40 3mh4 n THR 111 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3mh4 s VAL 112 N -2.38 1.03 -0.11 12.58 1.01 0.16 -5.01 120.40 127.68 3mh4 s VAL 112 Ca -0.27 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3mh4 s VAL 112 Cb 0.09 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3mh4 s VAL 112 CO 0.41 0.36 -0.21 -0.51 0.00 0.00 0.00 175.10 175.14 3mh4 s ILE 113 N 1.33 2.35 0.12 2.22 1.10 -1.26 -0.25 121.20 126.81 3mh4 s ILE 113 Ca -0.02 -0.91 0.10 0.00 -0.51 0.00 0.00 60.65 59.30 3mh4 s ILE 113 Cb -0.14 -1.93 -0.04 0.00 0.15 0.00 0.00 42.46 40.51 3mh4 s ILE 113 CO -0.04 0.55 -0.23 -0.54 -2.11 0.00 0.00 174.94 172.57 3mh4 s LYS 114 N 0.38 1.61 -0.08 3.50 3.01 -0.63 -2.09 119.74 125.44 3mh4 s LYS 114 Ca -0.16 -1.25 0.03 0.00 -1.01 0.00 0.00 55.97 53.58 3mh4 s LYS 114 Cb -0.17 -2.01 0.01 0.00 -1.01 0.00 0.00 37.83 34.65 3mh4 s LYS 114 CO 0.07 0.47 -0.19 0.08 0.51 0.00 0.00 175.35 176.30 3mh4 s VAL 115 N -1.08 1.63 -0.13 3.17 1.01 -0.32 -0.54 120.40 124.15 3mh4 s VAL 115 Ca 0.16 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3mh4 s VAL 115 Cb -0.10 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3mh4 s VAL 115 CO 0.08 0.47 -0.22 -1.58 0.00 0.00 0.00 175.10 173.84 3mh4 s GLN 116 N 0.50 2.97 0.61 2.72 0.74 -0.46 0.40 119.66 127.14 3mh4 s GLN 116 Ca -0.17 -0.84 -0.14 0.00 0.05 0.00 0.00 55.36 54.26 3mh4 s GLN 116 Cb -0.17 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 3mh4 s GLN 116 CO 0.06 0.04 1.04 -0.51 -0.55 0.00 0.00 175.29 175.37 3mh4 s LEU 117 N 0.68 3.37 0.64 3.68 1.43 0.17 -1.56 118.68 127.09 3mh4 s LEU 117 Ca -0.11 1.65 0.35 0.00 -1.03 0.00 0.00 54.13 54.99 3mh4 s LEU 117 Cb -0.16 -4.51 1.93 0.00 0.03 0.00 0.00 46.19 43.48 3mh4 s LEU 117 CO 0.01 -1.09 2.16 0.77 0.23 0.00 0.00 176.35 178.43 3mh4 h SER 118 N 0.06 0.00 0.21 2.29 4.64 -1.81 0.20 113.55 119.13 3mh4 h SER 118 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3mh4 h SER 118 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mh4 h SER 118 CO 0.59 0.00 -0.11 -0.90 -0.87 0.00 0.00 176.83 175.54 3mh4 n ASP 119 N -3.34 0.80 0.00 4.97 5.75 -1.26 -4.94 116.55 118.53 3mh4 n ASP 119 Ca -0.01 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 3mh4 n ASP 119 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3mh4 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mh4 n GLY 120 N 1.24 1.79 3.68 6.12 0.00 0.69 -5.08 105.19 113.63 3mh4 n GLY 120 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3mh4 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mh4 n ARG 121 N -0.24 2.05 -4.85 1.61 1.74 -1.25 -4.59 116.66 111.12 3mh4 n ARG 121 Ca 0.00 0.72 -0.32 0.00 -0.77 0.00 0.00 57.85 57.49 3mh4 n ARG 121 Cb 0.00 -2.34 -0.13 0.00 -1.02 0.00 0.00 32.46 28.97 3mh4 n ARG 121 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3mh4 s LYS 122 N -1.07 2.24 0.19 5.56 1.02 -1.26 0.46 119.74 126.88 3mh4 s LYS 122 Ca 0.62 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.77 3mh4 s LYS 122 Cb -0.62 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 3mh4 s LYS 122 CO 0.55 0.57 -0.01 -0.06 -0.92 0.00 0.00 175.35 175.49 3mh4 s PHE 123 N -0.80 1.36 -0.05 3.18 0.40 0.16 -4.97 117.98 117.25 3mh4 s PHE 123 Ca 0.13 -0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 55.39 3mh4 s PHE 123 Cb -0.10 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 3mh4 s PHE 123 CO 0.02 -0.11 0.30 -0.51 0.70 0.00 0.00 175.22 175.63 3mh4 s ASP 124 N -3.23 6.64 0.30 1.36 1.01 -1.26 -1.17 116.67 120.32 3mh4 s ASP 124 Ca 0.25 0.76 0.10 0.00 0.71 0.00 0.00 52.55 54.37 3mh4 s ASP 124 Cb 0.05 -2.18 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 3mh4 s ASP 124 CO 0.05 0.34 -0.09 0.00 0.21 0.00 0.00 175.17 175.68 3mh4 s ALA 125 N -0.96 2.97 0.01 5.23 0.00 -0.89 0.65 121.76 128.78 3mh4 s ALA 125 Ca 0.20 -1.87 0.05 0.00 0.00 0.00 0.00 51.96 50.34 3mh4 s ALA 125 Cb -0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3mh4 s ALA 125 CO 0.09 0.20 -0.16 0.15 0.00 0.00 0.00 175.76 176.05 3mh4 s LYS 126 N -3.61 1.20 0.77 0.00 -0.14 0.81 -4.42 119.74 114.36 3mh4 s LYS 126 Ca 0.32 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.10 3mh4 s LYS 126 Cb -0.03 -1.20 0.06 0.00 -1.68 0.00 0.00 37.83 34.98 3mh4 s LYS 126 CO 0.17 0.32 1.20 1.41 -0.76 0.00 0.00 175.35 177.69 3mh4 s MET 127 N -0.74 1.89 0.00 1.68 -2.45 -1.26 0.09 119.30 118.50 3mh4 s MET 127 Ca 0.05 1.71 0.00 0.00 -1.25 0.00 0.00 55.69 56.21 3mh4 s MET 127 Cb -0.07 -1.81 0.00 0.00 1.25 0.00 0.00 34.83 34.20 3mh4 s MET 127 CO 0.00 -2.02 0.00 1.55 1.05 0.00 0.00 175.02 175.61 3mh4 n VAL 128 N -3.07 0.00 0.00 10.11 3.14 -0.45 -4.72 118.33 123.34 3mh4 n VAL 128 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 3mh4 n VAL 128 Cb 0.51 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 3mh4 n VAL 128 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mh4 n GLY 129 N 0.87 1.78 3.33 7.55 0.00 -1.14 -4.49 105.19 113.09 3mh4 n GLY 129 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 3mh4 n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mh4 s LYS 130 N -1.62 1.49 -0.45 1.61 -2.85 -1.26 -0.08 119.74 116.57 3mh4 s LYS 130 Ca 0.00 -1.83 0.06 0.00 -1.00 0.00 0.00 55.97 53.21 3mh4 s LYS 130 Cb 0.00 -0.25 0.18 0.00 -2.06 0.00 0.00 37.83 35.70 3mh4 s LYS 130 CO 0.00 -0.35 0.61 0.34 0.10 0.00 0.00 175.35 176.05 3mh4 s ASP 131 N -3.35 -0.82 0.46 0.03 2.15 0.68 -4.57 116.67 111.25 3mh4 s ASP 131 Ca 0.37 -1.55 0.19 0.00 0.43 0.00 0.00 52.55 51.99 3mh4 s ASP 131 Cb 0.07 1.50 1.17 0.00 -0.30 0.00 0.00 42.92 45.36 3mh4 s ASP 131 CO 0.15 -0.13 1.93 -0.65 -0.17 0.00 0.00 175.17 176.30 3mh4 h PRO 132 N 5.99 0.27 -0.15 4.34 0.11 -1.95 0.10 132.00 140.71 3mh4 h PRO 132 Ca 0.08 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.20 3mh4 h PRO 132 Cb 1.10 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3mh4 h PRO 132 CO 0.10 0.18 -0.06 0.00 -0.21 0.00 0.00 178.00 178.02 3mh4 h ARG 133 N 0.28 -0.03 -0.02 1.05 3.08 -1.95 -2.83 114.38 113.95 3mh4 h ARG 133 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3mh4 h ARG 133 Cb 0.99 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3mh4 h ARG 133 CO -0.09 -0.02 -0.20 -1.13 -1.07 0.00 0.00 179.97 177.45 3mh4 n SER 134 N -5.20 2.36 -3.04 7.04 3.41 -0.68 -4.97 113.62 112.55 3mh4 n SER 134 Ca -0.03 -1.69 -0.20 0.00 -0.26 0.00 0.00 58.87 56.68 3mh4 n SER 134 Cb 0.12 0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.33 3mh4 n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3mh4 n ASP 135 N 0.58 -5.69 -4.33 4.04 2.03 0.26 -4.92 116.55 108.52 3mh4 n ASP 135 Ca 0.12 -0.42 -0.31 0.00 0.52 0.00 0.00 54.79 54.70 3mh4 n ASP 135 Cb 0.51 -4.33 -0.15 0.00 -0.72 0.00 0.00 41.12 36.43 3mh4 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3mh4 s ILE 136 N -3.24 2.14 0.04 5.18 -1.09 -1.14 -2.11 121.20 120.98 3mh4 s ILE 136 Ca 0.46 -1.21 -0.07 0.00 -2.23 0.00 0.00 60.65 57.60 3mh4 s ILE 136 Cb -0.20 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.89 3mh4 s ILE 136 CO 0.57 0.49 0.13 0.00 -1.23 0.00 0.00 174.94 174.90 3mh4 s ALA 137 N -0.70 -0.18 -0.16 9.38 0.00 0.13 -0.23 121.76 130.01 3mh4 s ALA 137 Ca 0.11 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 3mh4 s ALA 137 Cb -0.10 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3mh4 s ALA 137 CO 0.00 -0.33 -0.14 -1.17 0.00 0.00 0.00 175.76 174.13 3mh4 s LEU 138 N -2.09 2.57 0.23 0.00 0.20 0.88 -0.59 118.68 119.88 3mh4 s LEU 138 Ca -0.05 -0.43 0.10 0.00 0.69 0.00 0.00 54.13 54.44 3mh4 s LEU 138 Cb -0.01 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 3mh4 s LEU 138 CO -0.04 0.09 -0.10 0.27 -0.29 0.00 0.00 176.35 176.28 3mh4 s ILE 139 N 0.78 3.06 -0.09 6.68 -4.36 -0.60 -1.34 121.20 125.32 3mh4 s ILE 139 Ca -0.05 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 3mh4 s ILE 139 Cb -0.15 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 3mh4 s ILE 139 CO 0.01 -0.25 -0.18 -1.58 0.24 0.00 0.00 174.94 173.17 3mh4 s GLN 140 N -3.22 2.98 -0.21 0.37 0.74 0.11 -0.24 119.66 120.19 3mh4 s GLN 140 Ca 0.28 -0.77 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 3mh4 s GLN 140 Cb -0.07 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.62 3mh4 s GLN 140 CO 0.16 0.32 1.13 0.42 -0.55 0.00 0.00 175.29 176.77 3mh4 s ILE 141 N 0.03 4.52 -0.16 -2.34 1.01 0.25 -0.13 121.20 124.38 3mh4 s ILE 141 Ca -0.07 1.83 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 3mh4 s ILE 141 Cb -0.15 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 3mh4 s ILE 141 CO 0.05 -0.18 1.32 -1.10 0.00 0.00 0.00 174.94 175.03 3mh4 s GLN 142 N 3.34 4.19 -0.55 2.79 -0.21 0.21 -3.70 119.66 125.73 3mh4 s GLN 142 Ca 0.48 1.70 -0.01 0.00 0.02 0.00 0.00 55.36 57.55 3mh4 s GLN 142 Cb -0.17 -3.81 -0.02 0.00 1.00 0.00 0.00 33.01 30.01 3mh4 s GLN 142 CO 0.10 -0.77 0.47 0.09 -2.12 0.00 0.00 175.29 173.06 3mh4 n ASN 143 N 6.79 -3.14 -4.74 5.90 3.02 -1.26 -4.23 115.26 117.59 3mh4 n ASN 143 Ca 0.14 -0.33 -0.41 0.00 -0.03 0.00 0.00 54.58 53.96 3mh4 n ASN 143 Cb 0.45 -2.80 -0.03 0.00 -0.61 0.00 0.00 39.78 36.79 3mh4 n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3mh4 s PRO 144 N -4.18 4.40 -0.23 3.52 0.04 -1.24 -5.02 135.00 132.28 3mh4 s PRO 144 Ca 0.11 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 3mh4 s PRO 144 Cb -0.01 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.42 3mh4 s PRO 144 CO 0.36 -0.21 0.56 0.21 0.04 0.00 0.00 177.00 177.96 3mh4 s LYS 145 N -0.44 0.56 -1.18 4.56 2.20 -1.26 -4.93 119.74 119.25 3mh4 s LYS 145 Ca 0.55 1.05 -0.14 0.00 -0.36 0.00 0.00 55.97 57.07 3mh4 s LYS 145 Cb -0.37 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 3mh4 s LYS 145 CO 0.40 -0.16 0.76 0.09 -0.36 0.00 0.00 175.35 176.09 3mh4 n ASN 146 N 4.38 -4.37 -4.84 1.43 3.02 -1.26 -4.98 115.26 108.63 3mh4 n ASN 146 Ca -0.21 -0.94 -0.36 0.00 -0.03 0.00 0.00 54.58 53.04 3mh4 n ASN 146 Cb 0.57 -3.72 -0.07 0.00 -0.61 0.00 0.00 39.78 35.95 3mh4 n ASN 146 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mh4 s LEU 147 N -6.40 4.20 -0.18 3.41 1.02 -1.26 -5.09 118.68 114.38 3mh4 s LEU 147 Ca 0.35 0.38 -0.05 0.00 0.02 0.00 0.00 54.13 54.84 3mh4 s LEU 147 Cb -0.11 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 3mh4 s LEU 147 CO 0.84 0.39 -0.01 -0.89 0.02 0.00 0.00 176.35 176.70 3mh4 s THR 148 N -1.02 3.98 0.12 5.49 2.01 -1.26 -4.85 115.64 120.11 3mh4 s THR 148 Ca 0.16 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 3mh4 s THR 148 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3mh4 s THR 148 CO 0.05 0.46 0.30 0.00 -0.69 0.00 0.00 174.62 174.73 3mh4 s ALA 149 N 0.69 3.91 0.36 7.40 0.00 -1.26 -4.15 121.76 128.71 3mh4 s ALA 149 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3mh4 s ALA 149 Cb -0.14 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 3mh4 s ALA 149 CO 0.02 0.70 0.74 -1.50 0.00 0.00 0.00 175.76 175.71 3mh4 s ILE 150 N -1.63 4.78 -0.27 0.00 2.07 -0.75 -4.95 121.20 120.44 3mh4 s ILE 150 Ca 0.37 0.68 -0.18 0.00 -1.41 0.00 0.00 60.65 60.11 3mh4 s ILE 150 Cb -0.12 -3.69 -0.02 0.00 0.13 0.00 0.00 42.46 38.75 3mh4 s ILE 150 CO 0.27 -0.38 0.52 -0.75 -1.91 0.00 0.00 174.94 172.69 3mh4 s LYS 151 N -3.52 4.04 -0.03 3.50 2.20 -1.26 -4.91 119.74 119.76 3mh4 s LYS 151 Ca 0.51 0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 56.16 3mh4 s LYS 151 Cb -0.10 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 3mh4 s LYS 151 CO 0.26 -0.38 0.83 -1.64 -0.36 0.00 0.00 175.35 174.07 3mh4 s MET 152 N 2.33 4.50 0.55 4.03 -1.94 -1.26 -0.95 119.30 126.57 3mh4 s MET 152 Ca 0.21 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.22 3mh4 s MET 152 Cb -0.16 -3.45 -0.05 0.00 2.01 0.00 0.00 34.83 33.19 3mh4 s MET 152 CO 0.09 0.02 0.95 0.00 -0.01 0.00 0.00 175.02 176.08 3mh4 s ALA 153 N 0.85 3.17 -0.36 3.03 0.00 -0.42 -4.81 121.76 123.22 3mh4 s ALA 153 Ca 0.44 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 3mh4 s ALA 153 Cb -0.19 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3mh4 s ALA 153 CO 0.23 -0.48 1.19 0.34 0.00 0.00 0.00 175.76 177.04 3mh4 s ASP 154 N -3.86 6.72 0.42 0.00 3.68 -1.26 -4.67 116.67 117.70 3mh4 s ASP 154 Ca 0.54 0.92 0.16 0.00 2.13 0.00 0.00 52.55 56.30 3mh4 s ASP 154 Cb -0.11 -2.54 0.92 0.00 -1.45 0.00 0.00 42.92 39.74 3mh4 s ASP 154 CO 0.46 -1.09 1.91 0.77 0.13 0.00 0.00 175.17 177.35 3mh4 h SER 155 N 8.97 0.00 -0.23 -0.34 4.64 -1.90 -1.98 113.55 122.72 3mh4 h SER 155 Ca -0.23 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3mh4 h SER 155 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3mh4 h SER 155 CO 1.06 0.28 0.33 0.44 -0.87 0.00 0.00 176.83 178.07 3mh4 h ASP 156 N 0.00 0.00 0.95 4.97 3.32 -1.99 -0.20 116.42 123.48 3mh4 h ASP 156 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mh4 h ASP 156 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3mh4 h ASP 156 CO 0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 3mh4 n ALA 157 N -2.22 2.09 -1.77 3.45 0.00 -0.74 -4.88 120.51 116.43 3mh4 n ALA 157 Ca 0.03 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 3mh4 n ALA 157 Cb 0.45 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 3mh4 n ALA 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mh4 s LEU 158 N -3.50 4.35 0.31 0.00 1.43 -0.09 -5.05 118.68 116.13 3mh4 s LEU 158 Ca 0.11 2.79 0.05 0.00 -1.03 0.00 0.00 54.13 56.05 3mh4 s LEU 158 Cb 0.14 -3.71 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 3mh4 s LEU 158 CO 0.47 -0.71 0.01 -0.13 0.23 0.00 0.00 176.35 176.22 3mh4 s ARG 159 N -1.98 1.63 0.01 1.70 0.52 -1.26 -4.94 118.95 114.63 3mh4 s ARG 159 Ca 0.52 -1.88 -0.25 0.00 -0.52 0.00 0.00 55.73 53.60 3mh4 s ARG 159 Cb -0.41 -1.03 -0.18 0.00 0.52 0.00 0.00 34.95 33.84 3mh4 s ARG 159 CO 0.55 -0.09 1.36 0.28 0.02 0.00 0.00 175.30 177.42 3mh4 h VAL 160 N 2.16 1.08 0.00 3.52 2.07 -1.96 -3.09 116.25 120.02 3mh4 h VAL 160 Ca -0.41 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3mh4 h VAL 160 Cb 1.24 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3mh4 h VAL 160 CO 0.70 0.18 0.02 0.61 0.02 0.00 0.00 177.57 179.09 3mh4 n GLY 161 N -0.22 -0.31 3.76 2.17 0.00 -1.26 -2.67 105.19 106.65 3mh4 n GLY 161 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3mh4 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mh4 s ASP 162 N -2.61 5.64 0.27 1.61 1.01 -1.17 -4.71 116.67 116.72 3mh4 s ASP 162 Ca 0.00 2.58 -0.18 0.00 0.71 0.00 0.00 52.55 55.67 3mh4 s ASP 162 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 3mh4 s ASP 162 CO 0.00 -1.30 0.73 -0.31 0.21 0.00 0.00 175.17 174.50 3mh4 s TYR 163 N -1.40 3.53 0.16 4.23 1.51 -1.26 -0.10 117.35 124.02 3mh4 s TYR 163 Ca 0.68 1.31 0.01 0.00 -1.01 0.00 0.00 57.07 58.07 3mh4 s TYR 163 Cb -0.36 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 38.87 3mh4 s TYR 163 CO 0.43 0.23 0.01 0.95 -1.11 0.00 0.00 175.55 176.05 3mh4 s THR 164 N -1.73 0.57 -0.00 -0.71 -4.23 -0.41 -4.33 115.64 104.79 3mh4 s THR 164 Ca 0.48 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3mh4 s THR 164 Cb -0.14 -2.10 -0.00 0.00 1.34 0.00 0.00 72.50 71.60 3mh4 s THR 164 CO 0.19 -0.48 0.02 0.54 -0.54 0.00 0.00 174.62 174.35 3mh4 s VAL 165 N -3.73 0.03 -0.13 2.29 0.11 0.13 -2.18 120.40 116.93 3mh4 s VAL 165 Ca 0.24 -0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 3mh4 s VAL 165 Cb 0.06 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.76 3mh4 s VAL 165 CO 0.03 -0.15 -0.09 0.00 -3.33 0.00 0.00 175.10 171.56 3mh4 s ALA 166 N -0.46 2.81 -0.12 1.54 0.00 0.27 -0.77 121.76 125.04 3mh4 s ALA 166 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3mh4 s ALA 166 Cb -0.03 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 3mh4 s ALA 166 CO -0.00 0.30 -0.17 0.42 0.00 0.00 0.00 175.76 176.32 3mh4 s ILE 167 N 0.12 2.70 0.00 0.00 1.01 -0.64 -1.03 121.20 123.36 3mh4 s ILE 167 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3mh4 s ILE 167 Cb -0.14 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3mh4 s ILE 167 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3mh4 n GLY 168 N 3.61 1.07 2.57 6.18 0.00 -0.62 -2.20 105.19 115.80 3mh4 n GLY 168 Ca -0.19 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 3mh4 n GLY 168 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mh4 s ASN 169 N 2.00 2.65 0.22 1.61 0.02 -1.26 0.86 114.94 121.03 3mh4 s ASN 169 Ca 0.00 -3.20 -0.08 0.00 -1.02 0.00 0.00 52.86 48.56 3mh4 s ASN 169 Cb 0.00 -0.82 0.19 0.00 0.02 0.00 0.00 41.25 40.64 3mh4 s ASN 169 CO 0.00 -0.16 1.83 -0.65 0.02 0.00 0.00 177.10 178.14 3mh4 h PRO 170 N 5.74 1.20 0.00 -0.60 0.11 -1.84 -3.25 132.00 133.36 3mh4 h PRO 170 Ca 0.20 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3mh4 h PRO 170 Cb 0.87 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3mh4 h PRO 170 CO 0.47 0.90 0.00 1.19 -0.21 0.00 0.00 178.00 180.35 3mh4 n PHE 171 N -4.35 0.00 -0.94 0.65 3.01 -1.26 -2.22 117.46 112.36 3mh4 n PHE 171 Ca 0.09 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.12 3mh4 n PHE 171 Cb 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3mh4 n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mh4 n GLY 172 N -0.43 0.79 0.48 1.37 0.00 -1.23 -4.88 105.19 101.30 3mh4 n GLY 172 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3mh4 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mh4 n LEU 173 N 0.00 1.24 0.00 0.99 4.77 -1.26 -4.99 117.00 117.75 3mh4 n LEU 173 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3mh4 n LEU 173 Cb 0.01 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3mh4 n LEU 173 CO 0.00 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3mh4 n GLY 174 N 0.40 1.47 3.62 -0.72 0.00 -1.26 -5.01 105.19 103.69 3mh4 n GLY 174 Ca 0.04 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 3mh4 n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mh4 s GLU 175 N -1.59 3.59 -0.18 1.61 0.41 -1.26 -4.53 118.70 116.76 3mh4 s GLU 175 Ca 0.00 1.70 -0.05 0.00 -0.41 0.00 0.00 54.97 56.21 3mh4 s GLU 175 Cb 0.00 -4.14 -0.03 0.00 -1.78 0.00 0.00 34.13 28.18 3mh4 s GLU 175 CO 0.00 -1.55 -0.00 0.99 -0.49 0.00 0.00 175.26 174.21 3mh4 s THR 176 N 6.05 4.09 -0.10 3.63 2.01 0.25 -4.90 115.64 126.67 3mh4 s THR 176 Ca 0.79 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 3mh4 s THR 176 Cb -0.26 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 3mh4 s THR 176 CO 0.32 0.46 -0.00 0.54 -0.69 0.00 0.00 174.62 175.25 3mh4 s VAL 177 N 0.61 4.24 0.04 3.82 0.11 -1.26 -1.59 120.40 126.38 3mh4 s VAL 177 Ca -0.01 -0.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 3mh4 s VAL 177 Cb -0.14 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.88 3mh4 s VAL 177 CO 0.02 0.58 -0.04 0.28 -3.33 0.00 0.00 175.10 172.61 3mh4 s THR 178 N -0.62 0.26 0.52 5.04 -1.32 -0.20 -4.99 115.64 114.34 3mh4 s THR 178 Ca 0.10 -1.20 0.03 0.00 -1.21 0.00 0.00 61.69 59.41 3mh4 s THR 178 Cb -0.12 -0.69 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 3mh4 s THR 178 CO 0.02 -0.60 0.18 -0.94 -2.21 0.00 0.00 174.62 171.07 3mh4 s SER 179 N -1.90 4.36 0.00 8.08 1.04 -1.26 0.95 113.70 124.97 3mh4 s SER 179 Ca -0.08 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.88 3mh4 s SER 179 Cb -0.05 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3mh4 s SER 179 CO -0.03 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3mh4 n GLY 180 N -1.49 -0.55 3.36 7.32 0.00 -0.93 -3.86 105.19 109.05 3mh4 n GLY 180 Ca -0.11 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 3mh4 n GLY 180 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mh4 s ILE 181 N -3.00 0.84 -0.67 -0.61 -4.36 -1.26 -1.29 121.20 110.85 3mh4 s ILE 181 Ca 0.00 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.12 3mh4 s ILE 181 Cb 0.00 -2.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.08 3mh4 s ILE 181 CO 0.00 -0.07 1.63 -0.69 0.24 0.00 0.00 174.94 176.06 3mh4 s VAL 182 N -3.55 3.50 0.18 8.37 1.01 0.86 -3.16 120.40 127.61 3mh4 s VAL 182 Ca 0.36 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.65 3mh4 s VAL 182 Cb 0.08 -4.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.01 3mh4 s VAL 182 CO 0.13 -1.28 1.42 0.28 0.00 0.00 0.00 175.10 175.65 3mh4 h SER 183 N 12.99 0.18 -4.43 3.32 0.02 -0.47 -3.38 113.55 121.79 3mh4 h SER 183 Ca -0.26 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.57 3mh4 h SER 183 Cb 1.12 -0.06 -0.21 0.00 0.14 0.00 0.00 62.40 63.39 3mh4 h SER 183 CO 1.24 0.92 0.38 0.00 -1.14 0.00 0.00 176.83 178.23 3mh4 s ALA 184 N -3.27 -1.86 -0.13 3.77 0.00 -0.96 -5.00 121.76 114.31 3mh4 s ALA 184 Ca -0.02 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.44 3mh4 s ALA 184 Cb 0.11 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3mh4 s ALA 184 CO 0.81 -0.33 -0.10 -0.51 0.00 0.00 0.00 175.76 175.63 3mh4 s LEU 185 N -1.02 1.38 0.00 0.00 1.43 -1.26 -1.33 118.68 117.88 3mh4 s LEU 185 Ca -0.05 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3mh4 s LEU 185 Cb -0.01 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3mh4 s LEU 185 CO 0.05 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3mh4 n GLY 186 N 4.88 -0.00 0.14 -3.19 0.00 -0.21 -4.01 105.19 102.80 3mh4 n GLY 186 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mh4 n GLY 186 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mh4 n ARG 187 N -0.45 0.00 0.00 1.61 0.63 -1.26 -4.46 116.66 112.72 3mh4 n ARG 187 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3mh4 n ARG 187 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3mh4 n ARG 187 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3mh4 n SER 188 N -1.11 0.00 0.00 6.15 7.64 -1.26 -5.16 113.62 119.88 3mh4 n SER 188 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3mh4 n SER 188 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3mh4 n SER 188 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3mh4 n ASN 197 N -0.78 0.00 0.00 6.43 2.04 -1.26 -5.03 115.26 116.65 3mh4 n ASN 197 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 3mh4 n ASN 197 Cb 0.13 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.38 3mh4 n ASN 197 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3mh4 n PHE 198 N 0.00 0.00 -5.09 -2.53 7.35 -1.26 -4.82 117.46 111.11 3mh4 n PHE 198 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 3mh4 n PHE 198 Cb 0.00 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.66 3mh4 n PHE 198 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3mh4 s ILE 199 N -2.00 1.94 -0.13 -2.13 1.01 -0.01 -1.05 121.20 118.84 3mh4 s ILE 199 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3mh4 s ILE 199 Cb 0.00 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3mh4 s ILE 199 CO 0.00 0.53 -0.15 -1.58 0.00 0.00 0.00 174.94 173.74 3mh4 s GLN 200 N 0.42 3.32 -0.00 2.79 0.74 -0.44 -0.60 119.66 125.88 3mh4 s GLN 200 Ca -0.17 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.50 3mh4 s GLN 200 Cb -0.18 -2.58 -0.00 0.00 1.10 0.00 0.00 33.01 31.35 3mh4 s GLN 200 CO 0.07 0.19 0.03 -0.08 -0.55 0.00 0.00 175.29 174.96 3mh4 s THR 201 N 0.39 0.03 -1.78 -0.34 -1.32 0.69 0.18 115.64 113.49 3mh4 s THR 201 Ca -0.12 -0.28 0.27 0.00 -1.21 0.00 0.00 61.69 60.35 3mh4 s THR 201 Cb -0.16 -0.14 0.65 0.00 -1.51 0.00 0.00 72.50 71.34 3mh4 s THR 201 CO 0.06 -0.15 1.93 -0.90 -2.21 0.00 0.00 174.62 173.34 3mh4 n ASP 202 N 2.58 0.00 -2.19 8.08 5.75 -1.19 -0.82 116.55 128.76 3mh4 n ASP 202 Ca -0.16 -0.55 -0.18 0.00 -0.01 0.00 0.00 54.79 53.89 3mh4 n ASP 202 Cb 0.58 -0.11 -0.13 0.00 -1.03 0.00 0.00 41.12 40.43 3mh4 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mh4 n ALA 203 N -1.11 6.41 -2.73 2.12 0.00 -1.25 -4.80 120.51 119.15 3mh4 n ALA 203 Ca 0.17 -2.30 -0.17 0.00 0.00 0.00 0.00 53.44 51.14 3mh4 n ALA 203 Cb 0.14 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.20 3mh4 n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mh4 s ALA 204 N -0.04 0.72 -0.07 0.00 0.00 -1.26 -4.35 121.76 116.75 3mh4 s ALA 204 Ca 0.64 -0.51 -0.27 0.00 0.00 0.00 0.00 51.96 51.83 3mh4 s ALA 204 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3mh4 s ALA 204 CO -0.09 0.13 0.86 0.96 0.00 0.00 0.00 175.76 177.63 3mh4 s ILE 205 N -0.54 4.92 0.28 0.00 -5.25 -1.26 -4.90 121.20 114.44 3mh4 s ILE 205 Ca 0.00 1.77 -0.30 0.00 -0.99 0.00 0.00 60.65 61.12 3mh4 s ILE 205 Cb -0.05 -4.19 -0.12 0.00 2.95 0.00 0.00 42.46 41.04 3mh4 s ILE 205 CO 0.00 0.14 1.48 -3.20 -1.79 0.00 0.00 174.94 171.57 3mh4 n ASN 206 N 4.31 3.24 -0.40 4.36 2.85 -1.26 -2.03 115.26 126.32 3mh4 n ASN 206 Ca 0.04 1.15 -0.05 0.00 -0.11 0.00 0.00 54.58 55.61 3mh4 n ASN 206 Cb 0.50 -1.51 -0.02 0.00 1.24 0.00 0.00 39.78 39.99 3mh4 n ASN 206 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3mh4 n ARG 207 N 1.89 -1.85 -2.89 1.20 1.74 -1.26 -4.93 116.66 110.55 3mh4 n ARG 207 Ca 0.09 0.63 -0.22 0.00 -0.77 0.00 0.00 57.85 57.58 3mh4 n ARG 207 Cb 0.34 -4.96 0.02 0.00 -1.02 0.00 0.00 32.46 26.84 3mh4 n ARG 207 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3mh4 s GLY 208 N -2.03 1.66 -0.23 -0.13 0.00 -0.86 -4.84 107.32 100.90 3mh4 s GLY 208 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 3mh4 s GLY 208 CO 0.00 -0.98 0.72 -1.31 0.00 0.00 0.00 173.10 171.53 3mh4 s ASN 209 N -4.29 6.72 -0.96 1.64 -0.87 -0.94 -3.46 114.94 112.78 3mh4 s ASN 209 Ca 0.51 0.89 -0.32 0.00 -1.57 0.00 0.00 52.86 52.37 3mh4 s ASN 209 Cb -0.10 -2.38 -0.21 0.00 -0.02 0.00 0.00 41.25 38.53 3mh4 s ASN 209 CO 0.38 -0.40 2.66 0.00 -2.57 0.00 0.00 177.10 177.16 3mh4 n ALA 210 N 5.64 0.30 -1.00 0.60 0.00 -1.26 -4.31 120.51 120.48 3mh4 n ALA 210 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3mh4 n ALA 210 Cb 0.49 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3mh4 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mh4 n GLY 211 N 6.54 -2.87 0.00 0.00 0.00 -1.26 -4.72 105.19 102.88 3mh4 n GLY 211 Ca 0.64 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3mh4 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mh4 n GLY 212 N 0.53 -0.01 3.76 -0.02 0.00 -1.07 -4.33 105.19 104.05 3mh4 n GLY 212 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3mh4 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mh4 s ALA 213 N -3.78 3.43 -0.17 4.61 0.00 -0.93 0.60 121.76 125.52 3mh4 s ALA 213 Ca 0.00 1.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 3mh4 s ALA 213 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3mh4 s ALA 213 CO 0.00 -0.30 -0.14 -1.17 0.00 0.00 0.00 175.76 174.15 3mh4 s LEU 214 N -1.47 2.47 0.01 0.00 0.20 0.25 -1.62 118.68 118.52 3mh4 s LEU 214 Ca 0.46 -0.50 0.03 0.00 0.69 0.00 0.00 54.13 54.81 3mh4 s LEU 214 Cb -0.34 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.84 3mh4 s LEU 214 CO 0.44 0.05 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.77 3mh4 s VAL 215 N 1.03 0.68 0.90 1.68 1.01 0.05 -0.75 120.40 125.01 3mh4 s VAL 215 Ca -0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 3mh4 s VAL 215 Cb -0.15 -0.60 0.20 0.00 0.00 0.00 0.00 36.38 35.84 3mh4 s VAL 215 CO -0.03 0.07 1.23 -0.46 0.00 0.00 0.00 175.10 175.91 3mh4 n ASN 216 N 2.55 0.36 0.25 3.32 0.23 -0.96 0.17 115.26 121.18 3mh4 n ASN 216 Ca -0.15 -1.61 0.11 0.00 -0.53 0.00 0.00 54.58 52.39 3mh4 n ASN 216 Cb 0.57 -0.92 0.67 0.00 -2.08 0.00 0.00 39.78 38.02 3mh4 n ASN 216 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3mh4 h LEU 217 N 0.00 0.00 -0.02 -4.53 -0.00 -1.92 -1.31 115.31 107.53 3mh4 h LEU 217 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 3mh4 h LEU 217 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3mh4 h LEU 217 CO 0.31 0.14 -0.00 0.59 -0.00 0.00 0.00 178.44 179.47 3mh4 n ASN 218 N -3.83 0.03 -0.58 -0.43 3.02 -1.26 -4.91 115.26 107.31 3mh4 n ASN 218 Ca -0.02 -0.60 -0.04 0.00 -0.03 0.00 0.00 54.58 53.89 3mh4 n ASN 218 Cb 0.24 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3mh4 n ASN 218 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mh4 n GLY 219 N 1.14 0.36 3.88 7.41 0.00 -0.49 -5.04 105.19 112.45 3mh4 n GLY 219 Ca 0.19 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3mh4 n GLY 219 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mh4 s GLU 220 N -4.48 3.18 -0.32 1.61 2.02 -1.26 -4.59 118.70 114.86 3mh4 s GLU 220 Ca 0.03 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 3mh4 s GLU 220 Cb -0.01 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.46 3mh4 s GLU 220 CO 0.04 0.46 1.06 -1.17 0.02 0.00 0.00 175.26 175.67 3mh4 s LEU 221 N -3.50 3.94 0.00 1.80 2.96 -0.12 -2.27 118.68 121.48 3mh4 s LEU 221 Ca 0.33 1.03 0.17 0.00 -0.22 0.00 0.00 54.13 55.45 3mh4 s LEU 221 Cb -0.10 -3.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 3mh4 s LEU 221 CO 0.26 -0.87 0.83 2.30 -1.32 0.00 0.00 176.35 177.56 3mh4 n ILE 222 N 5.85 0.00 0.00 6.68 -5.35 0.07 -1.30 119.36 125.31 3mh4 n ILE 222 Ca 0.12 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3mh4 n ILE 222 Cb 0.47 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 3mh4 n ILE 222 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mh4 n GLY 223 N 1.28 1.66 3.42 3.28 0.00 -1.00 -0.64 105.19 113.19 3mh4 n GLY 223 Ca 0.06 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 3mh4 n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mh4 s ILE 224 N -2.00 3.80 0.36 -0.61 1.09 -1.01 0.87 121.20 123.71 3mh4 s ILE 224 Ca 0.00 -0.36 -0.27 0.00 -1.10 0.00 0.00 60.65 58.92 3mh4 s ILE 224 Cb 0.00 -2.72 -0.09 0.00 -1.06 0.00 0.00 42.46 38.59 3mh4 s ILE 224 CO 0.00 0.43 1.18 0.20 -0.10 0.00 0.00 174.94 176.65 3mh4 s ASN 225 N 1.08 6.74 0.21 3.58 -0.87 0.20 -1.23 114.94 124.64 3mh4 s ASN 225 Ca 0.02 2.40 0.02 0.00 -1.57 0.00 0.00 52.86 53.72 3mh4 s ASN 225 Cb -0.14 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.41 3mh4 s ASN 225 CO 0.01 -0.53 0.04 0.28 -2.57 0.00 0.00 177.10 174.33 3mh4 s THR 226 N -1.31 0.64 -0.27 1.60 -1.32 -0.06 -4.53 115.64 110.39 3mh4 s THR 226 Ca 0.53 -1.99 -0.07 0.00 -1.21 0.00 0.00 61.69 58.95 3mh4 s THR 226 Cb -0.33 -2.33 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 3mh4 s THR 226 CO 0.42 -0.29 0.06 0.00 -2.21 0.00 0.00 174.62 172.60 3mh4 s ALA 227 N -3.69 3.08 -0.13 11.08 0.00 -1.26 -4.44 121.76 126.40 3mh4 s ALA 227 Ca 0.29 -1.28 0.25 0.00 0.00 0.00 0.00 51.96 51.22 3mh4 s ALA 227 Cb 0.07 -2.07 0.71 0.00 0.00 0.00 0.00 23.12 21.83 3mh4 s ALA 227 CO 0.08 -0.68 1.74 -0.84 0.00 0.00 0.00 175.76 176.06 3mh4 h ILE 228 N 5.71 0.24 -2.07 0.00 3.07 -1.88 -3.32 117.51 119.26 3mh4 h ILE 228 Ca -0.36 -1.06 -0.77 0.00 1.55 0.00 0.00 64.86 64.22 3mh4 h ILE 228 Cb 1.15 1.87 -0.28 0.00 -0.27 0.00 0.00 36.82 39.30 3mh4 h ILE 228 CO 0.59 0.12 0.93 0.18 -1.05 0.00 0.00 178.15 178.92 3mh4 n LEU 229 N -3.18 7.26 -4.79 0.16 4.77 -1.26 -5.01 117.00 114.96 3mh4 n LEU 229 Ca 0.02 -5.07 -0.35 0.00 -0.03 0.00 0.00 56.01 50.57 3mh4 n LEU 229 Cb 0.48 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 3mh4 n LEU 229 CO 0.33 1.90 0.74 0.00 -1.33 0.00 0.00 177.39 179.03 3mh4 s ALA 230 N -4.13 2.92 -0.22 -1.18 0.00 -1.25 0.33 121.76 118.24 3mh4 s ALA 230 Ca 0.47 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 3mh4 s ALA 230 Cb 0.35 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 20.23 3mh4 s ALA 230 CO -0.30 -0.37 2.46 -2.30 0.00 0.00 0.00 175.76 175.25 3mh4 n PRO 231 N -0.69 1.79 -3.96 0.00 -0.02 -1.26 -5.06 135.00 125.80 3mh4 n PRO 231 Ca 0.08 -1.29 -0.31 0.00 -2.02 0.00 0.00 63.50 59.96 3mh4 n PRO 231 Cb 0.51 -1.66 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 3mh4 n PRO 231 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mh4 s ASP 232 N 0.94 4.59 -0.81 2.55 -1.08 0.15 -5.06 116.67 117.95 3mh4 s ASP 232 Ca 0.37 -2.12 -0.25 0.00 -0.52 0.00 0.00 52.55 50.02 3mh4 s ASP 232 Cb 0.23 -1.48 -0.03 0.00 -1.46 0.00 0.00 42.92 40.19 3mh4 s ASP 232 CO -0.05 -0.38 1.84 -0.83 0.52 0.00 0.00 175.17 176.27 3mh4 s GLY 233 N 0.95 0.33 0.03 2.66 0.00 -1.26 -4.36 107.32 105.66 3mh4 s GLY 233 Ca 0.11 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 3mh4 s GLY 233 CO -0.11 3.34 0.04 0.61 0.00 0.00 0.00 173.10 176.99 3mh4 n GLY 234 N 6.42 2.56 3.63 0.20 0.00 -1.26 -4.24 105.19 112.50 3mh4 n GLY 234 Ca 0.31 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 3mh4 n GLY 234 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mh4 s ASN 235 N -1.15 4.62 0.00 1.61 0.01 -1.22 -4.47 114.94 114.33 3mh4 s ASN 235 Ca 0.02 -0.38 0.18 0.00 -0.71 0.00 0.00 52.86 51.97 3mh4 s ASN 235 Cb -0.00 -0.95 -0.17 0.00 0.41 0.00 0.00 41.25 40.54 3mh4 s ASN 235 CO 0.01 0.14 0.78 0.00 -1.51 0.00 0.00 177.10 176.52 3mh4 n ILE 236 N 0.32 0.00 0.00 0.60 3.06 -1.26 -4.88 119.36 117.19 3mh4 n ILE 236 Ca -0.11 -0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.03 3mh4 n ILE 236 Cb 0.54 1.03 0.00 0.00 0.54 0.00 0.00 39.64 41.75 3mh4 n ILE 236 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3mh4 n GLY 237 N 1.40 1.13 3.20 4.50 0.00 -1.26 -5.10 105.19 109.05 3mh4 n GLY 237 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3mh4 n GLY 237 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mh4 s ILE 238 N -0.50 0.30 -0.08 -0.61 2.07 -1.26 -4.97 121.20 116.15 3mh4 s ILE 238 Ca 0.00 -1.95 -0.15 0.00 -1.41 0.00 0.00 60.65 57.14 3mh4 s ILE 238 Cb 0.00 -2.17 -0.05 0.00 0.13 0.00 0.00 42.46 40.37 3mh4 s ILE 238 CO 0.00 -0.37 0.39 -0.83 -1.91 0.00 0.00 174.94 172.21 3mh4 s GLY 239 N -3.12 2.37 0.11 1.50 0.00 0.00 -4.93 107.32 103.26 3mh4 s GLY 239 Ca 0.27 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.77 3mh4 s GLY 239 CO 0.05 0.37 -0.08 -1.36 0.00 0.00 0.00 173.10 172.08 3mh4 s PHE 240 N -0.19 2.78 -0.03 1.90 0.40 -1.26 -0.22 117.98 121.36 3mh4 s PHE 240 Ca 0.22 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.11 3mh4 s PHE 240 Cb -0.15 -1.43 0.07 0.00 0.51 0.00 0.00 43.02 42.02 3mh4 s PHE 240 CO 0.10 0.45 0.70 0.00 0.70 0.00 0.00 175.22 177.16 3mh4 s ALA 241 N -1.31 -1.76 -0.15 5.36 0.00 0.23 -0.88 121.76 123.24 3mh4 s ALA 241 Ca 0.23 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 53.17 3mh4 s ALA 241 Cb -0.11 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3mh4 s ALA 241 CO 0.15 -0.42 0.81 0.42 0.00 0.00 0.00 175.76 176.72 3mh4 s ILE 242 N -1.54 4.91 0.81 0.00 -1.09 -0.37 -0.83 121.20 123.10 3mh4 s ILE 242 Ca -0.09 1.60 -0.13 0.00 -2.23 0.00 0.00 60.65 59.80 3mh4 s ILE 242 Cb -0.00 -4.12 0.08 0.00 -1.58 0.00 0.00 42.46 36.83 3mh4 s ILE 242 CO 0.06 0.07 1.15 -0.81 -1.23 0.00 0.00 174.94 174.17 3mh4 n PRO 243 N 4.98 0.17 -0.14 2.79 -0.04 -1.26 -2.39 135.00 139.11 3mh4 n PRO 243 Ca 0.03 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 3mh4 n PRO 243 Cb 0.49 -2.39 0.40 0.00 -0.04 0.00 0.00 33.50 31.96 3mh4 n PRO 243 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mh4 h SER 244 N -0.90 0.57 0.10 3.54 4.64 -1.16 -0.18 113.55 120.15 3mh4 h SER 244 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3mh4 h SER 244 Cb 1.30 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mh4 h SER 244 CO 0.45 0.37 -0.05 0.78 -0.87 0.00 0.00 176.83 177.51 3mh4 h ASN 245 N 0.65 -0.11 -0.99 4.97 -0.26 -1.86 0.47 115.58 118.46 3mh4 h ASN 245 Ca 0.29 -0.39 0.21 0.00 -0.56 0.00 0.00 56.30 55.86 3mh4 h ASN 245 Cb 0.32 0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 37.51 3mh4 h ASN 245 CO -0.09 0.36 0.62 -0.03 -1.06 0.00 0.00 177.43 177.22 3mh4 h MET 246 N -0.60 0.57 -0.06 0.81 4.05 -1.82 0.45 114.93 118.32 3mh4 h MET 246 Ca -0.01 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3mh4 h MET 246 Cb 0.49 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3mh4 h MET 246 CO 0.02 0.38 0.04 0.28 0.23 0.00 0.00 176.91 177.86 3mh4 h VAL 247 N 0.59 1.02 -0.07 -5.77 2.07 -0.50 0.06 116.25 113.65 3mh4 h VAL 247 Ca 0.56 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 68.02 3mh4 h VAL 247 Cb 1.10 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3mh4 h VAL 247 CO -0.31 0.02 0.03 0.50 0.02 0.00 0.00 177.57 177.83 3mh4 h LYS 248 N 0.07 0.11 0.23 1.57 3.64 0.11 -0.07 116.57 122.23 3mh4 h LYS 248 Ca 0.02 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3mh4 h LYS 248 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3mh4 h LYS 248 CO -0.00 0.24 -0.34 -0.97 -2.27 0.00 0.00 179.45 176.10 3mh4 h ASN 249 N -0.04 -0.95 -0.99 4.20 -1.24 -1.01 -1.63 115.58 113.91 3mh4 h ASN 249 Ca 0.02 0.10 0.24 0.00 0.71 0.00 0.00 56.30 57.37 3mh4 h ASN 249 Cb 0.17 0.34 -0.13 0.00 0.73 0.00 0.00 38.32 39.44 3mh4 h ASN 249 CO -0.00 -0.45 0.57 -0.07 -1.29 0.00 0.00 177.43 176.19 3mh4 h LEU 250 N -0.64 0.64 -0.23 0.34 3.38 -0.84 -2.18 115.31 115.78 3mh4 h LEU 250 Ca 0.00 0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 3mh4 h LEU 250 Cb 0.62 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3mh4 h LEU 250 CO -0.13 0.09 -0.91 0.00 0.09 0.00 0.00 178.44 177.58 3mh4 h THR 251 N 0.56 1.51 0.00 0.22 1.03 -0.37 -3.06 112.91 112.80 3mh4 h THR 251 Ca 0.64 -2.72 -0.11 0.00 -0.01 0.00 0.00 66.41 64.21 3mh4 h THR 251 Cb 1.22 2.53 -0.02 0.00 -1.07 0.00 0.00 68.15 70.81 3mh4 h THR 251 CO -0.48 0.79 -0.52 0.28 -0.01 0.00 0.00 175.52 175.57 3mh4 h SER 252 N 0.09 0.00 0.01 0.00 0.02 -0.68 -2.43 113.55 110.57 3mh4 h SER 252 Ca -0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 3mh4 h SER 252 Cb 1.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 3mh4 h SER 252 CO 0.14 0.52 -0.35 1.56 -1.14 0.00 0.00 176.83 177.56 3mh4 h GLN 253 N 0.00 0.47 -0.30 3.45 4.20 -1.44 -1.40 115.11 120.09 3mh4 h GLN 253 Ca -0.01 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 3mh4 h GLN 253 Cb 1.21 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 3mh4 h GLN 253 CO 0.07 0.76 -0.08 0.52 -0.67 0.00 0.00 178.83 179.43 3mh4 h MET 254 N 0.40 0.58 -0.71 1.46 2.86 -1.39 0.41 114.93 118.54 3mh4 h MET 254 Ca 0.04 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3mh4 h MET 254 Cb 0.80 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 3mh4 h MET 254 CO 0.06 0.78 0.42 0.28 1.06 0.00 0.00 176.91 179.51 3mh4 h VAL 255 N 0.35 1.20 0.02 -2.22 2.07 -1.38 0.46 116.25 116.75 3mh4 h VAL 255 Ca 0.08 -0.46 -0.23 0.00 0.82 0.00 0.00 66.70 66.90 3mh4 h VAL 255 Cb 0.56 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3mh4 h VAL 255 CO 0.03 0.21 -1.12 -0.08 0.02 0.00 0.00 177.57 176.63 3mh4 h GLU 256 N 0.96 0.04 0.00 1.57 4.57 -1.13 -3.40 114.58 117.19 3mh4 h GLU 256 Ca 0.25 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3mh4 h GLU 256 Cb -0.02 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3mh4 h GLU 256 CO -0.05 0.97 0.00 0.66 -1.18 0.00 0.00 179.01 179.41 3mh4 n TYR 257 N -3.34 0.00 0.00 0.92 4.02 0.14 -4.98 117.16 113.92 3mh4 n TYR 257 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3mh4 n TYR 257 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 3mh4 n TYR 257 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mh4 n GLY 258 N 0.20 2.60 3.81 2.72 0.00 0.15 -4.93 105.19 109.74 3mh4 n GLY 258 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3mh4 n GLY 258 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mh4 s GLN 259 N -0.15 1.54 -0.20 1.61 0.00 -1.25 -4.29 119.66 116.92 3mh4 s GLN 259 Ca 0.00 -0.91 -0.20 0.00 -0.00 0.00 0.00 55.36 54.25 3mh4 s GLN 259 Cb 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 33.01 33.46 3mh4 s GLN 259 CO 0.00 -0.71 0.58 0.54 0.00 0.00 0.00 175.29 175.70 3mh4 s VAL 260 N -3.00 5.06 -0.13 3.63 0.11 -1.26 -3.73 120.40 121.07 3mh4 s VAL 260 Ca 0.15 1.09 -0.29 0.00 -2.93 0.00 0.00 61.98 59.99 3mh4 s VAL 260 Cb -0.03 -3.90 -0.02 0.00 -1.53 0.00 0.00 36.38 30.89 3mh4 s VAL 260 CO 0.06 0.14 1.30 -0.54 -3.33 0.00 0.00 175.10 172.72 3mh4 s LYS 261 N 1.77 4.25 0.18 1.54 1.02 -1.26 -4.94 119.74 122.30 3mh4 s LYS 261 Ca 0.27 1.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.68 3mh4 s LYS 261 Cb -0.16 -3.74 -0.09 0.00 -0.52 0.00 0.00 37.83 33.32 3mh4 s LYS 261 CO 0.10 -0.67 1.36 1.03 -0.92 0.00 0.00 175.35 176.25 3mh4 s ARG 262 N 3.28 4.35 -0.74 1.68 1.81 -1.26 -2.30 118.95 125.76 3mh4 s ARG 262 Ca 0.57 2.10 -0.01 0.00 -1.72 0.00 0.00 55.73 56.67 3mh4 s ARG 262 Cb -0.24 -3.20 0.38 0.00 -0.45 0.00 0.00 34.95 31.45 3mh4 s ARG 262 CO 0.18 -0.34 1.88 0.41 -0.68 0.00 0.00 175.30 176.74 3mh4 n GLY 263 N 2.74 5.69 3.56 -3.53 0.00 -1.15 -4.87 105.19 107.63 3mh4 n GLY 263 Ca 0.08 -2.49 -0.17 0.00 0.00 0.00 0.00 46.02 43.44 3mh4 n GLY 263 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mh4 s GLU 264 N -3.94 1.78 -0.31 1.61 -1.05 -1.26 -4.74 118.70 110.79 3mh4 s GLU 264 Ca 0.54 0.17 -0.02 0.00 -0.15 0.00 0.00 54.97 55.51 3mh4 s GLU 264 Cb 0.45 -4.88 0.10 0.00 -0.44 0.00 0.00 34.13 29.36 3mh4 s GLU 264 CO -0.29 -4.33 0.11 -0.48 0.95 0.00 0.00 175.26 171.22 3mh4 s LEU 265 N 13.94 1.74 0.00 1.83 2.34 -1.26 -4.96 118.68 132.32 3mh4 s LEU 265 Ca 0.86 -1.58 0.00 0.00 0.06 0.00 0.00 54.13 53.47 3mh4 s LEU 265 Cb -0.10 -0.71 0.00 0.00 -0.56 0.00 0.00 46.19 44.81 3mh4 s LEU 265 CO 0.07 -0.42 0.00 0.61 -1.06 0.00 0.00 176.35 175.56 3mh4 n GLY 266 N 4.91 1.48 2.01 -3.48 0.00 -1.26 -5.03 105.19 103.83 3mh4 n GLY 266 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mh4 n GLY 266 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mh4 n ILE 267 N 0.00 0.00 0.00 -0.61 -0.00 -1.26 -4.85 119.36 112.64 3mh4 n ILE 267 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3mh4 n ILE 267 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 3mh4 n ILE 267 CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 176.55 177.35 3mh4 n MET 268 N -2.56 0.00 -1.44 0.38 0.00 -1.26 -4.78 117.12 107.45 3mh4 n MET 268 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.67 3mh4 n MET 268 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.23 3mh4 n MET 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3mh4 n GLY 269 N 0.00 2.30 2.87 -5.12 0.00 -1.26 -2.22 105.19 101.76 3mh4 n GLY 269 Ca 0.00 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 3mh4 n GLY 269 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mh4 s THR 270 N 0.23 0.25 0.35 2.61 -4.23 -1.26 -4.70 115.64 108.88 3mh4 s THR 270 Ca 0.07 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.38 3mh4 s THR 270 Cb -0.01 -0.28 -0.13 0.00 1.34 0.00 0.00 72.50 73.42 3mh4 s THR 270 CO 0.04 0.12 0.04 1.21 -0.54 0.00 0.00 174.62 175.50 3mh4 n GLU 271 N 3.66 0.00 -2.40 3.99 2.13 -1.26 -4.36 120.64 122.39 3mh4 n GLU 271 Ca -0.21 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.20 3mh4 n GLU 271 Cb 0.54 -0.83 -0.04 0.00 0.27 0.00 0.00 31.44 31.38 3mh4 n GLU 271 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3mh4 s LEU 272 N 3.71 4.50 0.00 4.31 0.20 -1.26 -2.94 118.68 127.20 3mh4 s LEU 272 Ca 0.49 2.29 0.00 0.00 0.69 0.00 0.00 54.13 57.60 3mh4 s LEU 272 Cb -0.51 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 41.63 3mh4 s LEU 272 CO 0.53 -0.27 0.00 0.59 -0.29 0.00 0.00 176.35 176.91 3mh4 n ASN 273 N 1.65 0.00 -2.55 3.68 3.02 -1.26 -4.96 115.26 114.85 3mh4 n ASN 273 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3mh4 n ASN 273 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3mh4 n ASN 273 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3mh4 n SER 274 N 0.00 0.00 0.21 6.41 3.41 -1.15 -4.61 113.62 117.89 3mh4 n SER 274 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3mh4 n SER 274 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3mh4 n SER 274 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3mh4 h GLU 275 N 0.00 -0.58 -0.00 4.33 4.22 -1.97 -2.63 114.58 117.95 3mh4 h GLU 275 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3mh4 h GLU 275 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3mh4 h GLU 275 CO 0.00 -0.39 -0.04 1.28 -2.18 0.00 0.00 179.01 177.68 3mh4 n LEU 276 N -5.09 0.18 -0.10 1.64 4.77 -1.26 -3.83 117.00 113.31 3mh4 n LEU 276 Ca -0.07 0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 55.88 3mh4 n LEU 276 Cb 0.24 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3mh4 n LEU 276 CO 0.18 0.03 -0.72 0.00 -1.33 0.00 0.00 177.39 175.55 3mh4 n ALA 277 N -1.13 0.81 0.26 -1.18 0.00 -1.24 -4.29 120.51 113.74 3mh4 n ALA 277 Ca 0.15 -0.67 0.16 0.00 0.00 0.00 0.00 53.44 53.08 3mh4 n ALA 277 Cb 0.24 -0.16 0.88 0.00 0.00 0.00 0.00 19.45 20.41 3mh4 n ALA 277 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3mh4 h LYS 278 N -1.00 0.00 -0.71 0.00 1.79 -1.62 -2.83 116.57 112.19 3mh4 h LYS 278 Ca -0.29 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.28 3mh4 h LYS 278 Cb 1.13 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.73 3mh4 h LYS 278 CO -0.18 0.00 0.47 0.00 -1.08 0.00 0.00 179.45 178.67 3mh4 h ALA 279 N 1.91 1.89 -3.00 3.86 0.00 -1.75 -3.43 119.26 118.74 3mh4 h ALA 279 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mh4 h ALA 279 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mh4 h ALA 279 CO -0.00 -0.04 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 3mh4 n MET 280 N -4.49 3.58 0.00 0.00 2.81 -1.07 -5.01 117.12 112.94 3mh4 n MET 280 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3mh4 n MET 280 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.87 3mh4 n MET 280 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3mh4 n LYS 281 N 0.00 0.00 -0.94 0.03 4.01 -1.26 -4.85 118.16 115.15 3mh4 n LYS 281 Ca 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3mh4 n LYS 281 Cb 0.00 -0.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 3mh4 n LYS 281 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3mh4 n VAL 282 N -0.21 0.00 -3.02 -0.18 0.31 -1.26 -4.99 118.33 108.98 3mh4 n VAL 282 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 3mh4 n VAL 282 Cb 0.00 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 3mh4 n VAL 282 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mh4 s ASP 283 N -2.31 6.38 -0.21 4.52 -1.08 -1.26 -3.57 116.67 119.14 3mh4 s ASP 283 Ca 0.00 -0.18 -0.00 0.00 -0.52 0.00 0.00 52.55 51.85 3mh4 s ASP 283 Cb 0.00 -2.36 -0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3mh4 s ASP 283 CO 0.00 -0.86 0.18 0.00 0.52 0.00 0.00 175.17 175.01 3mh4 n ALA 284 N 6.54 -0.49 -1.00 3.66 0.00 -1.26 -5.07 120.51 122.89 3mh4 n ALA 284 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mh4 n ALA 284 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3mh4 n ALA 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mh4 n GLN 285 N -1.63 2.47 -2.29 0.00 10.64 -1.23 -4.95 117.38 120.39 3mh4 n GLN 285 Ca -0.04 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.12 3mh4 n GLN 285 Cb 0.53 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.90 3mh4 n GLN 285 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 3mh4 n ARG 286 N 0.00 -2.53 -3.80 2.61 0.63 -1.26 -5.06 116.66 107.24 3mh4 n ARG 286 Ca 0.00 2.15 0.00 0.00 -0.92 0.00 0.00 57.85 59.08 3mh4 n ARG 286 Cb 0.00 -3.88 0.00 0.00 0.45 0.00 0.00 32.46 29.03 3mh4 n ARG 286 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mh4 n GLY 287 N 0.64 -0.91 3.43 5.14 0.00 -1.26 -5.00 105.19 107.22 3mh4 n GLY 287 Ca -0.07 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3mh4 n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mh4 s ALA 288 N -1.00 3.26 0.57 4.61 0.00 -0.84 -4.50 121.76 123.87 3mh4 s ALA 288 Ca 0.00 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.41 3mh4 s ALA 288 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 3mh4 s ALA 288 CO 0.00 -0.91 1.03 0.12 0.00 0.00 0.00 175.76 176.00 3mh4 s PHE 289 N 1.60 3.16 -0.17 0.00 2.19 -1.26 -1.48 117.98 122.02 3mh4 s PHE 289 Ca 0.04 1.49 -0.02 0.00 0.33 0.00 0.00 56.93 58.77 3mh4 s PHE 289 Cb -0.17 -2.93 0.05 0.00 -1.31 0.00 0.00 43.02 38.66 3mh4 s PHE 289 CO 0.06 -0.88 -0.00 0.08 1.83 0.00 0.00 175.22 176.31 3mh4 s VAL 290 N -2.55 0.73 -0.19 3.12 1.01 0.11 -4.25 120.40 118.37 3mh4 s VAL 290 Ca 0.62 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 3mh4 s VAL 290 Cb -0.14 -1.06 -0.21 0.00 0.00 0.00 0.00 36.38 34.97 3mh4 s VAL 290 CO 0.36 -0.02 0.31 0.77 0.00 0.00 0.00 175.10 176.52 3mh4 h SER 291 N 8.20 0.06 -4.82 3.32 4.64 -1.82 -0.13 113.55 123.00 3mh4 h SER 291 Ca -0.19 -0.62 -0.54 0.00 -0.47 0.00 0.00 61.79 59.97 3mh4 h SER 291 Cb 1.12 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 3mh4 h SER 291 CO 0.35 1.48 -0.37 0.00 -0.87 0.00 0.00 176.83 177.41 3mh4 n GLN 292 N -4.34 0.95 0.00 4.77 6.02 -0.94 -3.66 117.38 120.17 3mh4 n GLN 292 Ca -0.29 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.64 3mh4 n GLN 292 Cb 0.71 0.74 0.00 0.00 1.02 0.00 0.00 30.24 32.70 3mh4 n GLN 292 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3mh4 n VAL 293 N -1.15 0.00 0.03 5.09 3.14 -1.26 -4.40 118.33 119.78 3mh4 n VAL 293 Ca -0.15 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.40 3mh4 n VAL 293 Cb 0.53 0.00 0.66 0.00 -1.06 0.00 0.00 33.84 33.97 3mh4 n VAL 293 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3mh4 h LEU 294 N 0.00 0.05 -1.20 6.55 3.38 -1.95 -2.19 115.31 119.96 3mh4 h LEU 294 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mh4 h LEU 294 Cb 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mh4 h LEU 294 CO 0.00 0.03 0.45 -0.65 0.09 0.00 0.00 178.44 178.36 3mh4 h PRO 295 N 0.05 0.00 -0.77 1.13 0.11 -1.94 -3.44 132.00 127.14 3mh4 h PRO 295 Ca 0.22 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.00 3mh4 h PRO 295 Cb 0.80 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.78 3mh4 h PRO 295 CO -0.01 0.00 -0.30 0.09 -0.21 0.00 0.00 178.00 177.57 3mh4 n ASN 296 N -2.48 -5.16 -4.43 -2.05 3.02 -0.82 -4.92 115.26 98.42 3mh4 n ASN 296 Ca -0.01 0.40 -0.44 0.00 -0.03 0.00 0.00 54.58 54.50 3mh4 n ASN 296 Cb 0.48 -4.08 -0.03 0.00 -0.61 0.00 0.00 39.78 35.54 3mh4 n ASN 296 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3mh4 s SER 297 N -2.74 6.54 -1.20 6.41 1.04 -1.26 -4.35 113.70 118.13 3mh4 s SER 297 Ca 0.00 -1.91 -0.11 0.00 0.48 0.00 0.00 55.95 54.41 3mh4 s SER 297 Cb 0.00 -2.38 0.09 0.00 0.10 0.00 0.00 66.02 63.84 3mh4 s SER 297 CO 0.00 -1.07 0.43 -1.54 0.98 0.00 0.00 173.24 172.04 3mh4 n SER 298 N 6.44 -2.93 0.00 7.02 3.41 -1.26 -4.71 113.62 121.58 3mh4 n SER 298 Ca 0.16 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3mh4 n SER 298 Cb 0.48 -2.47 0.00 0.00 -0.26 0.00 0.00 64.21 61.96 3mh4 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mh4 n ALA 299 N -3.46 2.24 1.64 7.33 0.00 -1.26 -2.75 120.51 124.25 3mh4 n ALA 299 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3mh4 n ALA 299 Cb 0.52 0.34 0.81 0.00 0.00 0.00 0.00 19.45 21.12 3mh4 n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mh4 n ALA 300 N -2.33 2.52 -0.08 0.00 0.00 -1.26 -0.95 120.51 118.41 3mh4 n ALA 300 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 3mh4 n ALA 300 Cb 0.34 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 3mh4 n ALA 300 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3mh4 n LYS 301 N -1.12 0.87 0.00 0.00 3.00 -1.26 -4.45 118.16 115.19 3mh4 n LYS 301 Ca 0.19 0.07 0.04 0.00 -0.00 0.00 0.00 58.31 58.61 3mh4 n LYS 301 Cb 0.16 -1.34 0.26 0.00 0.00 0.00 0.00 35.03 34.11 3mh4 n LYS 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3mh4 n ALA 302 N -2.84 2.45 -1.53 3.14 0.00 -1.11 -4.82 120.51 115.80 3mh4 n ALA 302 Ca -0.27 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 3mh4 n ALA 302 Cb 0.86 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 3mh4 n ALA 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mh4 n GLY 303 N 0.52 1.57 3.84 0.00 0.00 -1.18 -4.75 105.19 105.19 3mh4 n GLY 303 Ca 0.07 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3mh4 n GLY 303 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mh4 s ILE 304 N -2.63 4.85 0.33 -0.61 1.01 -0.13 -5.04 121.20 118.98 3mh4 s ILE 304 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.58 3mh4 s ILE 304 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 3mh4 s ILE 304 CO 0.00 0.25 0.27 1.17 0.00 0.00 0.00 174.94 176.64 3mh4 n LYS 305 N 0.83 0.42 -1.71 2.79 3.00 -1.26 -4.37 118.16 117.85 3mh4 n LYS 305 Ca -0.05 -3.33 -0.39 0.00 -0.00 0.00 0.00 58.31 54.54 3mh4 n LYS 305 Cb 0.52 2.68 0.04 0.00 0.00 0.00 0.00 35.03 38.26 3mh4 n LYS 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3mh4 n ALA 306 N -0.74 1.24 0.00 3.14 0.00 -1.26 -3.29 120.51 119.60 3mh4 n ALA 306 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3mh4 n ALA 306 Cb 0.60 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3mh4 n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mh4 n GLY 307 N 0.87 3.23 3.37 0.00 0.00 -0.07 -5.01 105.19 107.58 3mh4 n GLY 307 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3mh4 n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mh4 n ASP 308 N 0.04 -2.22 -3.32 1.61 8.00 -1.14 -4.59 116.55 114.93 3mh4 n ASP 308 Ca 0.00 0.19 -0.22 0.00 0.71 0.00 0.00 54.79 55.47 3mh4 n ASP 308 Cb 0.00 -1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 39.89 3mh4 n ASP 308 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3mh4 s VAL 309 N -2.34 -0.06 0.38 2.53 -7.23 -1.10 0.05 120.40 112.62 3mh4 s VAL 309 Ca 0.56 -1.80 -0.27 0.00 -1.81 0.00 0.00 61.98 58.67 3mh4 s VAL 309 Cb -0.18 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.76 3mh4 s VAL 309 CO 0.67 -0.86 1.25 -0.63 -0.31 0.00 0.00 175.10 175.22 3mh4 s ILE 310 N 0.74 2.87 0.00 -0.62 1.09 -0.55 -1.85 121.20 122.88 3mh4 s ILE 310 Ca 0.25 0.80 0.13 0.00 -1.10 0.00 0.00 60.65 60.73 3mh4 s ILE 310 Cb -0.07 -3.47 0.22 0.00 -1.06 0.00 0.00 42.46 38.07 3mh4 s ILE 310 CO -0.09 0.13 1.06 0.41 -0.10 0.00 0.00 174.94 176.35 3mh4 n THR 311 N 0.36 0.00 -3.63 2.92 -1.04 -0.77 -1.99 114.28 110.13 3mh4 n THR 311 Ca 0.03 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 3mh4 n THR 311 Cb 0.44 0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 69.61 3mh4 n THR 311 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3mh4 s SER 312 N -1.45 -0.35 -0.46 8.00 0.01 -1.15 -0.36 113.70 117.95 3mh4 s SER 312 Ca 0.17 0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.58 3mh4 s SER 312 Cb 0.20 0.44 0.20 0.00 0.21 0.00 0.00 66.02 67.07 3mh4 s SER 312 CO -0.09 -0.67 0.59 -0.11 0.41 0.00 0.00 173.24 173.38 3mh4 n LEU 313 N 0.53 -1.85 -0.92 2.44 7.94 -0.89 -3.26 117.00 120.99 3mh4 n LEU 313 Ca -0.19 -3.73 -0.07 0.00 -1.11 0.00 0.00 56.01 50.92 3mh4 n LEU 313 Cb 0.60 0.69 0.00 0.00 0.53 0.00 0.00 43.42 45.23 3mh4 n LEU 313 CO 0.20 1.94 -0.05 -3.20 -1.11 0.00 0.00 177.39 175.17 3mh4 n ASN 314 N 2.47 -2.76 0.00 1.96 5.15 0.13 -4.07 115.26 118.14 3mh4 n ASN 314 Ca 0.21 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 3mh4 n ASN 314 Cb 0.54 -1.95 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 3mh4 n ASN 314 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mh4 n GLY 315 N -1.00 3.08 3.66 8.20 0.00 -1.26 -5.05 105.19 112.81 3mh4 n GLY 315 Ca -0.06 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 3mh4 n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mh4 s LYS 316 N 0.00 4.17 0.20 1.61 1.02 -1.26 -4.93 119.74 120.56 3mh4 s LYS 316 Ca 0.00 2.33 -0.32 0.00 0.02 0.00 0.00 55.97 58.00 3mh4 s LYS 316 Cb 0.00 -3.97 -0.12 0.00 -0.52 0.00 0.00 37.83 33.22 3mh4 s LYS 316 CO 0.00 -0.86 1.69 -2.30 -0.92 0.00 0.00 175.35 172.96 3mh4 n PRO 317 N 6.99 2.65 -2.76 -1.68 -0.02 -1.26 -2.10 135.00 136.81 3mh4 n PRO 317 Ca 0.18 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.19 3mh4 n PRO 317 Cb 0.42 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 3mh4 n PRO 317 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mh4 s ILE 318 N 1.05 4.14 0.00 4.25 -1.09 0.52 -4.85 121.20 125.22 3mh4 s ILE 318 Ca 0.75 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 3mh4 s ILE 318 Cb -0.54 -4.77 0.00 0.00 -1.58 0.00 0.00 42.46 35.57 3mh4 s ILE 318 CO 0.34 -1.59 0.40 -1.54 -1.23 0.00 0.00 174.94 171.32 3mh4 n SER 319 N 8.22 0.00 -4.01 3.58 3.41 -1.26 -3.89 113.62 119.66 3mh4 n SER 319 Ca -0.01 0.40 -0.24 0.00 -0.26 0.00 0.00 58.87 58.77 3mh4 n SER 319 Cb 0.47 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.57 3mh4 n SER 319 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mh4 n SER 320 N -0.46 0.62 0.05 4.04 3.41 -1.26 -3.45 113.62 116.57 3mh4 n SER 320 Ca 0.00 -1.72 -0.13 0.00 -0.26 0.00 0.00 58.87 56.76 3mh4 n SER 320 Cb 0.00 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.04 3mh4 n SER 320 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3mh4 h PHE 321 N -1.19 0.28 0.00 7.33 -5.15 -1.91 -3.24 116.94 113.06 3mh4 h PHE 321 Ca -0.35 -0.20 -0.02 0.00 -0.20 0.00 0.00 57.97 57.20 3mh4 h PHE 321 Cb 1.10 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 37.25 3mh4 h PHE 321 CO 0.00 1.22 -0.10 0.00 -2.00 0.00 0.00 178.31 177.43 3mh4 h ALA 322 N 0.70 0.97 -0.71 12.09 0.00 -1.98 -2.84 119.26 127.49 3mh4 h ALA 322 Ca -0.18 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3mh4 h ALA 322 Cb 1.95 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 3mh4 h ALA 322 CO 0.15 0.12 0.47 0.00 0.00 0.00 0.00 179.25 179.99 3mh4 h ALA 323 N 1.90 1.49 -0.02 0.00 0.00 -1.94 -0.59 119.26 120.11 3mh4 h ALA 323 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3mh4 h ALA 323 Cb 0.80 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mh4 h ALA 323 CO 0.01 0.47 -0.06 -0.07 0.00 0.00 0.00 179.25 179.60 3mh4 h LEU 324 N 0.96 0.08 -1.69 0.00 3.38 -1.63 -2.69 115.31 113.72 3mh4 h LEU 324 Ca 0.26 -0.63 0.21 0.00 0.09 0.00 0.00 57.88 57.81 3mh4 h LEU 324 Cb -0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3mh4 h LEU 324 CO -0.06 0.70 0.57 -0.09 0.09 0.00 0.00 178.44 179.66 3mh4 h ARG 325 N -0.53 0.25 0.00 1.13 9.65 -1.19 -1.32 114.38 122.37 3mh4 h ARG 325 Ca -0.00 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 3mh4 h ARG 325 Cb 0.69 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 3mh4 h ARG 325 CO 0.01 0.17 -0.56 0.00 2.80 0.00 0.00 179.97 182.39 3mh4 h ALA 326 N 1.61 0.08 -0.84 2.80 0.00 -1.20 -3.27 119.26 118.45 3mh4 h ALA 326 Ca 0.42 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3mh4 h ALA 326 Cb 1.25 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 3mh4 h ALA 326 CO -0.11 0.40 0.52 1.96 0.00 0.00 0.00 179.25 182.01 3mh4 h GLN 327 N -1.00 0.93 -0.01 0.00 4.20 -1.27 -1.02 115.11 116.94 3mh4 h GLN 327 Ca -0.11 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3mh4 h GLN 327 Cb 0.72 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3mh4 h GLN 327 CO -0.06 0.62 -0.03 1.33 -0.67 0.00 0.00 178.83 180.01 3mh4 n VAL 328 N -4.62 0.00 0.32 -0.54 0.24 -0.52 -3.75 118.33 109.45 3mh4 n VAL 328 Ca 0.12 -0.09 0.09 0.00 -2.04 0.00 0.00 64.34 62.41 3mh4 n VAL 328 Cb 0.16 -0.08 -0.12 0.00 -1.47 0.00 0.00 33.84 32.33 3mh4 n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mh4 n GLY 329 N 1.13 -0.73 0.32 7.63 0.00 -0.42 -4.15 105.19 108.97 3mh4 n GLY 329 Ca 0.20 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3mh4 n GLY 329 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3mh4 n THR 330 N -1.83 0.00 -2.51 2.61 5.66 -1.00 -4.04 114.28 113.17 3mh4 n THR 330 Ca -0.01 -0.17 -0.31 0.00 -3.05 0.00 0.00 64.05 60.52 3mh4 n THR 330 Cb 0.38 0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 69.88 3mh4 n THR 330 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 3mh4 s MET 331 N -2.53 3.78 0.19 1.09 -1.94 -1.26 -4.98 119.30 113.65 3mh4 s MET 331 Ca 0.21 0.65 -0.30 0.00 -1.71 0.00 0.00 55.69 54.54 3mh4 s MET 331 Cb 0.19 -2.25 -0.08 0.00 2.01 0.00 0.00 34.83 34.70 3mh4 s MET 331 CO 0.56 -0.22 1.00 -2.14 -0.01 0.00 0.00 175.02 174.21 3mh4 s PRO 332 N -4.24 4.72 0.52 2.03 0.02 -1.26 -2.94 135.00 133.85 3mh4 s PRO 332 Ca 0.54 1.57 -0.19 0.00 0.02 0.00 0.00 61.00 62.94 3mh4 s PRO 332 Cb -0.10 -3.30 -0.10 0.00 0.02 0.00 0.00 34.50 31.02 3mh4 s PRO 332 CO 0.36 0.28 0.58 0.28 -0.33 0.00 0.00 177.00 178.17 3mh4 n VAL 333 N 2.08 2.20 -0.13 3.83 0.31 -0.97 -2.14 118.33 123.51 3mh4 n VAL 333 Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 3mh4 n VAL 333 Cb 0.47 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3mh4 n VAL 333 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mh4 n GLY 334 N 1.72 1.65 3.57 2.92 0.00 -1.22 -4.92 105.19 108.90 3mh4 n GLY 334 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3mh4 n GLY 334 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mh4 n SER 335 N 0.00 0.04 -3.93 1.61 7.64 -0.91 -4.59 113.62 113.48 3mh4 n SER 335 Ca 0.00 0.67 -0.29 0.00 1.01 0.00 0.00 58.87 60.26 3mh4 n SER 335 Cb 0.00 -1.35 -0.12 0.00 -1.01 0.00 0.00 64.21 61.73 3mh4 n SER 335 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mh4 s LYS 336 N -3.07 2.37 0.14 1.43 1.02 -1.26 -3.16 119.74 117.21 3mh4 s LYS 336 Ca 0.72 -3.11 0.03 0.00 0.02 0.00 0.00 55.97 53.62 3mh4 s LYS 336 Cb -0.36 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 3mh4 s LYS 336 CO 0.52 -1.23 0.22 -0.48 -0.92 0.00 0.00 175.35 173.46 3mh4 s LEU 337 N -1.08 4.14 -0.09 3.17 2.34 -1.24 -4.86 118.68 121.06 3mh4 s LEU 337 Ca 0.22 0.07 0.02 0.00 0.06 0.00 0.00 54.13 54.51 3mh4 s LEU 337 Cb -0.11 -2.73 -0.02 0.00 -0.56 0.00 0.00 46.19 42.77 3mh4 s LEU 337 CO -0.11 0.07 -0.14 0.28 -1.06 0.00 0.00 176.35 175.39 3mh4 s THR 338 N -1.71 3.01 -0.27 5.48 -1.32 -1.26 -1.51 115.64 118.06 3mh4 s THR 338 Ca 0.33 -0.71 -0.02 0.00 -1.21 0.00 0.00 61.69 60.07 3mh4 s THR 338 Cb -0.11 -2.21 0.03 0.00 -1.51 0.00 0.00 72.50 68.70 3mh4 s THR 338 CO 0.26 0.56 -0.02 -0.76 -2.21 0.00 0.00 174.62 172.46 3mh4 s LEU 339 N -0.21 3.53 -0.77 9.08 1.02 -1.16 -0.69 118.68 129.47 3mh4 s LEU 339 Ca 0.00 -0.98 -0.25 0.00 0.02 0.00 0.00 54.13 52.92 3mh4 s LEU 339 Cb -0.13 -1.71 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 3mh4 s LEU 339 CO 0.03 -0.18 1.81 -0.83 0.02 0.00 0.00 176.35 177.20 3mh4 s GLY 340 N 1.33 0.34 0.03 -3.19 0.00 -1.20 -3.68 107.32 100.94 3mh4 s GLY 340 Ca -0.01 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 3mh4 s GLY 340 CO -0.02 3.32 0.51 -2.27 0.00 0.00 0.00 173.10 174.63 3mh4 s LEU 341 N 8.84 4.49 -0.23 0.66 0.20 -0.04 -1.85 118.68 130.75 3mh4 s LEU 341 Ca 0.64 1.12 -0.10 0.00 0.69 0.00 0.00 54.13 56.48 3mh4 s LEU 341 Cb -0.09 -2.77 -0.05 0.00 -0.43 0.00 0.00 46.19 42.85 3mh4 s LEU 341 CO 0.09 0.27 0.15 -0.22 -0.29 0.00 0.00 176.35 176.35 3mh4 s LEU 342 N -0.95 4.12 0.00 -0.68 0.20 -0.77 -3.78 118.68 116.82 3mh4 s LEU 342 Ca 0.27 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.22 3mh4 s LEU 342 Cb -0.18 -2.10 0.00 0.00 -0.43 0.00 0.00 46.19 43.48 3mh4 s LEU 342 CO 0.16 0.09 0.00 -2.11 -0.29 0.00 0.00 176.35 174.20 3mh4 n ARG 343 N 4.13 0.00 -2.46 1.98 -4.01 -1.26 -2.72 116.66 112.32 3mh4 n ARG 343 Ca -0.15 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.59 3mh4 n ARG 343 Cb 0.52 0.00 0.03 0.00 -3.04 0.00 0.00 32.46 29.97 3mh4 n ARG 343 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3mh4 n ASP 344 N 0.00 -4.70 0.00 2.89 8.00 -1.26 -4.88 116.55 116.61 3mh4 n ASP 344 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.16 3mh4 n ASP 344 Cb 0.00 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 3mh4 n ASP 344 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mh4 n GLY 345 N -1.36 0.30 0.00 0.44 0.00 -1.26 -5.16 105.19 98.15 3mh4 n GLY 345 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3mh4 n GLY 345 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mh4 n LYS 346 N 1.15 0.00 -3.16 1.61 4.81 -1.25 -5.03 118.16 116.29 3mh4 n LYS 346 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 3mh4 n LYS 346 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 3mh4 n LYS 346 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3mh4 s GLN 347 N 0.00 0.62 0.11 1.64 0.74 -1.26 -0.86 119.66 120.65 3mh4 s GLN 347 Ca 0.00 0.21 0.07 0.00 0.05 0.00 0.00 55.36 55.69 3mh4 s GLN 347 Cb 0.00 0.18 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 3mh4 s GLN 347 CO 0.00 -1.04 -0.06 0.08 -0.55 0.00 0.00 175.29 173.72 3mh4 s VAL 348 N 2.45 3.60 -0.01 1.34 1.01 -1.24 -4.92 120.40 122.62 3mh4 s VAL 348 Ca 0.13 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 3mh4 s VAL 348 Cb -0.07 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3mh4 s VAL 348 CO -0.18 0.07 0.51 0.54 0.00 0.00 0.00 175.10 176.04 3mh4 s ASN 349 N -2.37 6.88 0.32 3.32 4.22 -1.26 -3.00 114.94 123.05 3mh4 s ASN 349 Ca 0.24 1.05 0.07 0.00 -2.14 0.00 0.00 52.86 52.07 3mh4 s ASN 349 Cb -0.11 -2.31 -0.02 0.00 1.28 0.00 0.00 41.25 40.08 3mh4 s ASN 349 CO 0.16 0.17 0.34 0.68 -2.04 0.00 0.00 177.10 176.41 3mh4 s VAL 350 N -0.42 3.88 -0.30 3.54 -7.23 -0.57 -4.92 120.40 114.38 3mh4 s VAL 350 Ca 0.27 -1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 3mh4 s VAL 350 Cb -0.17 -3.31 0.11 0.00 0.56 0.00 0.00 36.38 33.56 3mh4 s VAL 350 CO 0.15 -0.20 0.14 0.21 -0.31 0.00 0.00 175.10 175.09 3mh4 s ASN 351 N -4.03 3.52 0.18 4.85 3.84 -1.26 -3.67 114.94 118.38 3mh4 s ASN 351 Ca 0.41 -1.47 -0.23 0.00 0.21 0.00 0.00 52.86 51.77 3mh4 s ASN 351 Cb -0.07 -0.43 -0.14 0.00 -0.55 0.00 0.00 41.25 40.06 3mh4 s ASN 351 CO 0.28 -0.42 0.41 0.18 -2.79 0.00 0.00 177.10 174.76 3mh4 n LEU 352 N 5.01 -1.18 0.00 3.21 4.32 -1.19 -4.81 117.00 122.37 3mh4 n LEU 352 Ca -0.03 0.93 0.00 0.00 -0.02 0.00 0.00 56.01 56.89 3mh4 n LEU 352 Cb 0.41 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 3mh4 n LEU 352 CO 0.07 -2.62 0.00 -0.62 -1.22 0.00 0.00 177.39 173.00