#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dx4 n ARG 4 N 0.00 3.27 -1.06 -1.24 3.00 -1.26 -4.35 116.66 115.02 1dx4 n ARG 4 Ca 0.00 -0.30 -0.18 0.00 -0.00 0.00 0.00 57.85 57.37 1dx4 n ARG 4 Cb 0.00 -0.94 0.18 0.00 0.00 0.00 0.00 32.46 31.70 1dx4 n ARG 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1dx4 n LEU 5 N -0.68 6.20 -4.48 6.15 4.77 -1.26 -4.89 117.00 122.80 1dx4 n LEU 5 Ca 0.02 -3.29 -0.33 0.00 -0.03 0.00 0.00 56.01 52.38 1dx4 n LEU 5 Cb 0.14 -0.79 -0.13 0.00 -2.33 0.00 0.00 43.42 40.32 1dx4 n LEU 5 CO 0.12 0.94 -0.39 -0.69 -1.33 0.00 0.00 177.39 176.05 1dx4 s VAL 6 N -2.88 3.61 0.07 4.08 1.01 -1.25 -1.39 120.40 123.64 1dx4 s VAL 6 Ca 0.50 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1dx4 s VAL 6 Cb 0.42 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1dx4 s VAL 6 CO 0.10 0.53 -0.20 0.54 0.00 0.00 0.00 175.10 176.07 1dx4 s VAL 7 N 0.08 1.62 -0.62 2.92 0.11 0.24 -4.92 120.40 119.82 1dx4 s VAL 7 Ca -0.02 -1.35 -0.18 0.00 -2.93 0.00 0.00 61.98 57.50 1dx4 s VAL 7 Cb -0.14 -1.45 0.12 0.00 -1.53 0.00 0.00 36.38 33.38 1dx4 s VAL 7 CO 0.03 0.05 0.68 -1.10 -3.33 0.00 0.00 175.10 171.43 1dx4 s GLN 8 N -1.55 3.12 0.36 1.54 -1.52 -1.26 -0.79 119.66 119.56 1dx4 s GLN 8 Ca 0.06 -1.57 -0.03 0.00 -1.95 0.00 0.00 55.36 51.86 1dx4 s GLN 8 Cb -0.09 -4.33 -0.04 0.00 -0.22 0.00 0.00 33.01 28.32 1dx4 s GLN 8 CO 0.03 -1.47 0.62 0.95 -0.25 0.00 0.00 175.29 175.16 1dx4 s THR 9 N 2.13 5.01 0.48 -0.19 -4.23 0.10 -4.88 115.64 114.07 1dx4 s THR 9 Ca 0.11 -0.07 0.19 0.00 -1.18 0.00 0.00 61.69 60.74 1dx4 s THR 9 Cb -0.23 -3.81 0.19 0.00 1.34 0.00 0.00 72.50 69.99 1dx4 s THR 9 CO 0.03 -0.55 1.55 0.77 -0.54 0.00 0.00 174.62 175.87 1dx4 h SER 10 N 0.95 0.00 0.00 3.99 4.64 -1.96 0.33 113.55 121.50 1dx4 h SER 10 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1dx4 h SER 10 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1dx4 h SER 10 CO 0.63 0.00 -0.98 -1.20 -0.87 0.00 0.00 176.83 174.41 1dx4 n SER 11 N -2.55 0.85 0.00 4.97 7.64 -1.26 -5.00 113.62 118.27 1dx4 n SER 11 Ca -0.01 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1dx4 n SER 11 Cb 0.49 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.85 1dx4 n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dx4 n GLY 12 N 1.42 0.04 3.73 0.23 0.00 0.12 -0.63 105.19 110.09 1dx4 n GLY 12 Ca 0.02 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1dx4 n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dx4 s PRO 13 N -2.00 4.68 -0.02 1.61 0.02 -1.22 0.00 135.00 138.07 1dx4 s PRO 13 Ca 0.00 1.42 0.01 0.00 0.02 0.00 0.00 61.00 62.45 1dx4 s PRO 13 Cb 0.00 -3.37 0.01 0.00 0.02 0.00 0.00 34.50 31.16 1dx4 s PRO 13 CO 0.00 0.22 -0.03 0.08 -0.33 0.00 0.00 177.00 176.95 1dx4 s VAL 14 N -0.02 0.29 -0.12 3.83 1.01 0.03 0.49 120.40 125.91 1dx4 s VAL 14 Ca 0.46 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1dx4 s VAL 14 Cb -0.23 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1dx4 s VAL 14 CO 0.29 0.12 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 1dx4 s ARG 15 N 0.38 2.03 0.00 2.72 1.70 -0.57 0.79 118.95 126.00 1dx4 s ARG 15 Ca -0.04 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1dx4 s ARG 15 Cb -0.07 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 1dx4 s ARG 15 CO -0.01 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1dx4 n GLY 16 N 4.58 1.34 3.20 3.88 0.00 -0.49 -0.87 105.19 116.84 1dx4 n GLY 16 Ca -0.17 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1dx4 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dx4 s ARG 17 N 4.27 0.84 -0.09 1.61 1.70 -1.04 -4.78 118.95 121.45 1dx4 s ARG 17 Ca 0.00 -0.99 -0.06 0.00 -0.47 0.00 0.00 55.73 54.21 1dx4 s ARG 17 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1dx4 s ARG 17 CO 0.00 -0.26 0.16 0.45 -1.08 0.00 0.00 175.30 174.57 1dx4 s SER 18 N -2.87 6.40 0.10 -2.89 0.15 -1.26 -0.78 113.70 112.55 1dx4 s SER 18 Ca 0.06 0.46 0.04 0.00 0.70 0.00 0.00 55.95 57.21 1dx4 s SER 18 Cb 0.05 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1dx4 s SER 18 CO -0.10 0.37 -0.10 -0.69 1.20 0.00 0.00 173.24 173.91 1dx4 s VAL 19 N -1.10 0.99 -0.20 4.45 1.01 0.28 -4.96 120.40 120.86 1dx4 s VAL 19 Ca 0.18 -1.67 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1dx4 s VAL 19 Cb -0.12 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.91 1dx4 s VAL 19 CO 0.08 -0.56 0.00 -0.89 0.00 0.00 0.00 175.10 173.74 1dx4 s THR 20 N -2.46 0.86 0.03 3.92 2.01 -1.26 0.12 115.64 118.86 1dx4 s THR 20 Ca 0.06 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1dx4 s THR 20 Cb -0.03 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1dx4 s THR 20 CO 0.00 -0.16 -0.12 0.68 -0.69 0.00 0.00 174.62 174.34 1dx4 s VAL 21 N 1.71 0.94 -1.62 3.82 -7.23 -0.39 -4.74 120.40 112.89 1dx4 s VAL 21 Ca -0.02 -0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 1dx4 s VAL 21 Cb -0.17 -0.85 0.12 0.00 0.56 0.00 0.00 36.38 36.03 1dx4 s VAL 21 CO -0.07 0.01 0.78 0.00 -0.31 0.00 0.00 175.10 175.50 1dx4 n GLN 22 N 2.09 -3.71 -3.91 4.82 1.13 -1.26 -0.55 117.38 116.00 1dx4 n GLN 22 Ca -0.17 0.43 -0.25 0.00 -1.94 0.00 0.00 57.00 55.07 1dx4 n GLN 22 Cb 0.55 -5.10 -0.01 0.00 0.11 0.00 0.00 30.24 25.79 1dx4 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dx4 n GLY 23 N -1.55 -0.24 3.12 1.08 0.00 -1.26 -4.93 105.19 101.40 1dx4 n GLY 23 Ca 0.01 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1dx4 n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dx4 s ARG 24 N -6.45 0.27 0.03 1.61 3.00 0.29 -5.14 118.95 112.55 1dx4 s ARG 24 Ca 0.02 0.53 -0.25 0.00 -1.00 0.00 0.00 55.73 55.04 1dx4 s ARG 24 Cb -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 34.95 34.85 1dx4 s ARG 24 CO 0.87 -0.13 0.75 -2.00 0.00 0.00 0.00 175.30 174.80 1dx4 s GLU 25 N 0.99 4.48 -0.03 5.12 2.12 -1.26 -1.27 118.70 128.86 1dx4 s GLU 25 Ca -0.07 1.04 0.02 0.00 0.36 0.00 0.00 54.97 56.31 1dx4 s GLU 25 Cb -0.08 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1dx4 s GLU 25 CO -0.07 0.25 -0.06 0.08 -0.54 0.00 0.00 175.26 174.92 1dx4 s VAL 26 N 0.08 0.59 -0.22 3.70 1.01 0.12 -0.90 120.40 124.77 1dx4 s VAL 26 Ca 0.38 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1dx4 s VAL 26 Cb -0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1dx4 s VAL 26 CO 0.22 0.21 0.46 -1.00 0.00 0.00 0.00 175.10 175.00 1dx4 s HIS 27 N 0.50 3.33 -0.29 5.22 3.76 0.21 -0.56 115.29 127.46 1dx4 s HIS 27 Ca -0.07 0.65 -0.06 0.00 -0.15 0.00 0.00 55.06 55.44 1dx4 s HIS 27 Cb -0.11 -2.63 0.02 0.00 1.11 0.00 0.00 32.58 30.97 1dx4 s HIS 27 CO 0.00 -0.13 0.05 0.08 -0.85 0.00 0.00 174.74 173.89 1dx4 s VAL 28 N 1.76 3.69 -0.32 -0.90 1.01 0.04 -1.06 120.40 124.61 1dx4 s VAL 28 Ca 0.21 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1dx4 s VAL 28 Cb -0.15 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.34 1dx4 s VAL 28 CO 0.09 0.07 0.08 -0.31 0.00 0.00 0.00 175.10 175.03 1dx4 s TYR 29 N 1.45 3.23 -0.03 5.22 1.51 -0.19 -2.51 117.35 126.02 1dx4 s TYR 29 Ca 0.01 -1.41 0.08 0.00 -1.01 0.00 0.00 57.07 54.74 1dx4 s TYR 29 Cb -0.17 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 1dx4 s TYR 29 CO 0.01 -0.71 -0.26 0.95 -1.11 0.00 0.00 175.55 174.43 1dx4 s THR 30 N 1.40 2.03 0.00 -0.71 -4.23 -0.99 0.14 115.64 113.28 1dx4 s THR 30 Ca -0.01 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1dx4 s THR 30 Cb -0.19 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1dx4 s THR 30 CO 0.02 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 1dx4 n GLY 31 N 2.54 1.05 3.65 3.99 0.00 -0.88 -3.59 105.19 111.95 1dx4 n GLY 31 Ca -0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1dx4 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dx4 s ILE 32 N -2.00 4.87 0.22 -0.61 1.01 -0.35 -4.80 121.20 119.54 1dx4 s ILE 32 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 1dx4 s ILE 32 Cb 0.00 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1dx4 s ILE 32 CO 0.00 -0.04 1.18 -2.16 0.00 0.00 0.00 174.94 173.93 1dx4 s PRO 33 N 2.66 4.51 -0.03 2.79 0.04 -1.26 0.12 135.00 143.83 1dx4 s PRO 33 Ca 0.34 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1dx4 s PRO 33 Cb -0.15 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1dx4 s PRO 33 CO 0.08 -0.03 1.03 2.48 0.04 0.00 0.00 177.00 180.61 1dx4 n TYR 34 N 2.06 0.00 -3.53 0.56 0.18 -1.16 -4.87 117.16 110.40 1dx4 n TYR 34 Ca 0.03 -0.61 -0.08 0.00 1.88 0.00 0.00 57.90 59.11 1dx4 n TYR 34 Cb 0.44 -0.07 -0.03 0.00 -0.38 0.00 0.00 39.34 39.30 1dx4 n TYR 34 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1dx4 s ALA 35 N -1.42 -1.88 0.18 -3.48 0.00 -1.26 -3.88 121.76 110.02 1dx4 s ALA 35 Ca 0.07 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 1dx4 s ALA 35 Cb 0.06 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 1dx4 s ALA 35 CO 0.01 -0.58 1.43 0.15 0.00 0.00 0.00 175.76 176.76 1dx4 s LYS 36 N -2.54 4.29 -0.38 0.00 1.02 0.31 -4.47 119.74 117.97 1dx4 s LYS 36 Ca 0.04 2.20 -0.38 0.00 0.02 0.00 0.00 55.97 57.86 1dx4 s LYS 36 Cb -0.01 -3.18 -0.13 0.00 -0.52 0.00 0.00 37.83 33.99 1dx4 s LYS 36 CO -0.06 -0.44 2.14 -2.30 -0.92 0.00 0.00 175.35 173.77 1dx4 n PRO 37 N 3.25 0.84 -0.81 -1.68 -0.02 -1.26 -4.71 135.00 130.61 1dx4 n PRO 37 Ca 0.10 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 1dx4 n PRO 37 Cb 0.41 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1dx4 n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dx4 n PRO 38 N 7.81 1.11 -4.35 0.52 -0.04 -1.26 -4.84 135.00 133.95 1dx4 n PRO 38 Ca 0.43 -1.44 -0.25 0.00 -0.04 0.00 0.00 63.50 62.20 1dx4 n PRO 38 Cb 0.16 -2.64 -0.09 0.00 -0.04 0.00 0.00 33.50 30.89 1dx4 n PRO 38 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dx4 s VAL 39 N 5.17 3.03 0.00 0.52 1.01 -1.26 -3.97 120.40 124.90 1dx4 s VAL 39 Ca 0.51 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1dx4 s VAL 39 Cb 0.12 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1dx4 s VAL 39 CO 0.13 -0.26 0.00 -0.62 0.00 0.00 0.00 175.10 174.35 1dx4 n GLU 40 N -0.40 0.00 0.21 2.72 1.02 -1.26 -1.44 120.64 121.48 1dx4 n GLU 40 Ca -0.08 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.20 1dx4 n GLU 40 Cb 0.58 0.00 0.70 0.00 -0.02 0.00 0.00 31.44 32.70 1dx4 n GLU 40 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1dx4 h ASP 41 N 0.00 0.00 -0.39 1.62 3.58 -1.94 -2.39 116.42 116.90 1dx4 h ASP 41 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1dx4 h ASP 41 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1dx4 h ASP 41 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 1dx4 n LEU 42 N -2.54 3.08 -4.77 2.28 4.77 -0.52 -4.85 117.00 114.45 1dx4 n LEU 42 Ca -0.00 -1.36 -0.38 0.00 -0.03 0.00 0.00 56.01 54.23 1dx4 n LEU 42 Cb 0.14 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1dx4 n LEU 42 CO 0.17 0.68 0.88 -0.60 -1.33 0.00 0.00 177.39 177.20 1dx4 s ARG 43 N -1.50 3.85 0.00 3.23 3.52 -0.90 -2.79 118.95 124.37 1dx4 s ARG 43 Ca 0.38 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 1dx4 s ARG 43 Cb 0.22 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1dx4 s ARG 43 CO 0.30 -0.52 0.00 1.19 -0.81 0.00 0.00 175.30 175.46 1dx4 n PHE 44 N -0.18 0.00 -2.43 5.12 3.72 -1.26 -4.95 117.46 117.47 1dx4 n PHE 44 Ca 0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.19 1dx4 n PHE 44 Cb 0.46 -0.45 0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1dx4 n PHE 44 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1dx4 s ARG 45 N 0.00 3.11 0.78 -1.08 0.52 -1.12 -4.44 118.95 116.72 1dx4 s ARG 45 Ca 0.00 0.08 -0.14 0.00 -0.52 0.00 0.00 55.73 55.15 1dx4 s ARG 45 Cb 0.00 -2.29 0.06 0.00 0.52 0.00 0.00 34.95 33.25 1dx4 s ARG 45 CO 0.00 -0.57 1.21 1.63 0.02 0.00 0.00 175.30 177.59 1dx4 n LYS 46 N -2.51 0.35 -2.33 3.54 5.02 -1.26 -4.94 118.16 116.04 1dx4 n LYS 46 Ca 0.04 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.19 1dx4 n LYS 46 Cb 0.57 -2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.11 1dx4 n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1dx4 s PRO 47 N -3.96 3.81 -0.04 1.97 0.04 -1.26 -5.05 135.00 130.50 1dx4 s PRO 47 Ca 0.75 1.02 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1dx4 s PRO 47 Cb -0.31 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1dx4 s PRO 47 CO 0.49 -0.39 -0.25 0.14 0.04 0.00 0.00 177.00 177.03 1dx4 s VAL 48 N -2.57 1.99 0.22 -0.36 -7.23 -1.26 -5.04 120.40 106.15 1dx4 s VAL 48 Ca 0.60 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 1dx4 s VAL 48 Cb -0.11 -1.67 -0.16 0.00 0.56 0.00 0.00 36.38 35.00 1dx4 s VAL 48 CO 0.32 0.56 0.88 -2.65 -0.31 0.00 0.00 175.10 173.90 1dx4 n PRO 49 N 2.78 0.82 -1.86 4.82 -0.02 -1.26 -0.53 135.00 139.74 1dx4 n PRO 49 Ca -0.17 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 1dx4 n PRO 49 Cb 0.52 -1.57 0.04 0.00 -0.02 0.00 0.00 33.50 32.47 1dx4 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dx4 s ALA 50 N -0.82 2.53 0.02 3.55 0.00 -1.25 -4.13 121.76 121.66 1dx4 s ALA 50 Ca 0.65 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1dx4 s ALA 50 Cb -0.83 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 1dx4 s ALA 50 CO 0.57 -1.15 1.16 -1.21 0.00 0.00 0.00 175.76 175.12 1dx4 s GLU 51 N -3.96 4.43 0.50 0.00 2.02 -1.26 -4.89 118.70 115.55 1dx4 s GLU 51 Ca 0.68 1.68 -0.21 0.00 0.02 0.00 0.00 54.97 57.13 1dx4 s GLU 51 Cb -0.21 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 30.52 1dx4 s GLU 51 CO 0.39 -0.27 0.96 -0.35 0.02 0.00 0.00 175.26 176.00 1dx4 n PRO 52 N 4.27 1.13 -3.67 0.39 -0.04 -1.26 -5.00 135.00 130.82 1dx4 n PRO 52 Ca 0.09 0.42 -0.22 0.00 -0.04 0.00 0.00 63.50 63.74 1dx4 n PRO 52 Cb 0.47 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1dx4 n PRO 52 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1dx4 s TRP 53 N -1.41 2.39 0.01 0.54 -2.14 0.20 -5.03 118.94 113.50 1dx4 s TRP 53 Ca 0.68 -0.59 0.04 0.00 2.66 0.00 0.00 56.10 58.89 1dx4 s TRP 53 Cb -0.49 -2.09 -0.03 0.00 -3.10 0.00 0.00 33.47 27.76 1dx4 s TRP 53 CO 0.53 -0.22 -0.09 -3.38 -2.66 0.00 0.00 176.95 171.13 1dx4 s HIS 54 N -2.56 2.82 0.00 1.66 -3.43 -1.26 -4.73 115.29 107.78 1dx4 s HIS 54 Ca 0.45 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 1dx4 s HIS 54 Cb -0.02 -1.58 0.00 0.00 -1.43 0.00 0.00 32.58 29.55 1dx4 s HIS 54 CO 0.26 0.34 0.00 0.41 -2.00 0.00 0.00 174.74 173.76 1dx4 n GLY 55 N 1.55 -1.23 3.81 -1.38 0.00 -1.26 -4.76 105.19 101.93 1dx4 n GLY 55 Ca -0.15 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1dx4 n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dx4 s VAL 56 N 0.00 5.16 -0.08 1.61 -7.23 -1.26 -3.46 120.40 115.15 1dx4 s VAL 56 Ca 0.00 0.71 -0.17 0.00 -1.81 0.00 0.00 61.98 60.71 1dx4 s VAL 56 Cb 0.00 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 1dx4 s VAL 56 CO 0.00 0.53 0.44 -0.22 -0.31 0.00 0.00 175.10 175.54 1dx4 s LEU 57 N -0.64 4.35 -0.67 1.32 0.20 0.18 -4.88 118.68 118.54 1dx4 s LEU 57 Ca 0.21 0.85 -0.26 0.00 0.69 0.00 0.00 54.13 55.62 1dx4 s LEU 57 Cb -0.15 -2.63 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1dx4 s LEU 57 CO 0.10 0.13 1.84 -0.62 -0.29 0.00 0.00 176.35 177.51 1dx4 s ASP 58 N -0.02 5.31 -0.82 3.68 2.15 -1.26 -1.51 116.67 124.20 1dx4 s ASP 58 Ca 0.24 0.11 0.01 0.00 0.43 0.00 0.00 52.55 53.34 1dx4 s ASP 58 Cb -0.16 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.27 1dx4 s ASP 58 CO 0.11 -2.40 1.62 0.00 -0.17 0.00 0.00 175.17 174.33 1dx4 n ALA 59 N 12.73 5.81 0.00 3.66 0.00 -0.05 -4.45 120.51 138.21 1dx4 n ALA 59 Ca 0.23 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1dx4 n ALA 59 Cb 0.51 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1dx4 n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dx4 n THR 60 N -0.28 0.00 -3.46 0.00 -2.24 -1.24 -2.35 114.28 104.71 1dx4 n THR 60 Ca 0.45 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.87 1dx4 n THR 60 Cb 0.33 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 1dx4 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1dx4 s GLY 61 N -1.19 1.34 0.04 3.38 0.00 -1.26 -4.87 107.32 104.76 1dx4 s GLY 61 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 1dx4 s GLY 61 CO 0.00 -0.94 0.84 1.08 0.00 0.00 0.00 173.10 174.08 1dx4 s LEU 62 N -4.27 4.44 1.12 0.66 1.43 -1.26 -3.96 118.68 116.84 1dx4 s LEU 62 Ca 0.40 1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.90 1dx4 s LEU 62 Cb -0.09 -3.36 0.25 0.00 0.03 0.00 0.00 46.19 43.01 1dx4 s LEU 62 CO 0.35 -0.06 1.06 -0.94 0.23 0.00 0.00 176.35 176.99 1dx4 s SER 63 N 0.21 1.55 0.92 2.29 1.04 -1.26 -4.96 113.70 113.48 1dx4 s SER 63 Ca 0.43 1.16 -0.13 0.00 0.48 0.00 0.00 55.95 57.88 1dx4 s SER 63 Cb -0.21 -1.79 0.15 0.00 0.10 0.00 0.00 66.02 64.27 1dx4 s SER 63 CO 0.25 -3.79 1.18 0.00 0.98 0.00 0.00 173.24 171.85 1dx4 s ALA 64 N -2.78 1.98 -0.03 5.32 0.00 -1.26 -4.79 121.76 120.20 1dx4 s ALA 64 Ca 0.67 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1dx4 s ALA 64 Cb -0.19 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1dx4 s ALA 64 CO 0.60 -2.26 -0.13 0.95 0.00 0.00 0.00 175.76 174.91 1dx4 s THR 65 N -3.43 3.16 0.62 0.00 -4.23 -0.38 -4.83 115.64 106.54 1dx4 s THR 65 Ca 0.66 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 1dx4 s THR 65 Cb -0.12 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1dx4 s THR 65 CO 0.52 0.52 1.01 0.00 -0.54 0.00 0.00 174.62 176.13 1dx4 n VAL 67 N -1.82 0.16 -3.60 0.00 0.31 -1.22 -4.70 118.33 107.46 1dx4 n VAL 67 Ca 0.14 -0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1dx4 n VAL 67 Cb 0.48 -1.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.35 1dx4 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dx4 s GLN 68 N 0.44 0.37 0.18 5.55 -2.07 -1.26 -4.77 119.66 118.10 1dx4 s GLN 68 Ca 0.81 -0.17 0.01 0.00 -1.82 0.00 0.00 55.36 54.20 1dx4 s GLN 68 Cb -0.85 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 31.18 1dx4 s GLN 68 CO 0.45 -0.17 0.33 -1.21 -1.32 0.00 0.00 175.29 173.38 1dx4 s GLU 69 N -2.46 3.47 0.25 9.60 0.41 -1.26 -5.04 118.70 123.67 1dx4 s GLU 69 Ca 0.11 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 54.11 1dx4 s GLU 69 Cb 0.01 -2.91 -0.05 0.00 -1.78 0.00 0.00 34.13 29.39 1dx4 s GLU 69 CO -0.04 0.46 0.51 1.03 -0.49 0.00 0.00 175.26 176.73 1dx4 s ARG 70 N -3.32 3.64 -0.38 1.61 0.52 -1.26 -4.93 118.95 114.83 1dx4 s ARG 70 Ca 0.36 -0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.40 1dx4 s ARG 70 Cb -0.11 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1dx4 s ARG 70 CO 0.29 0.28 0.40 0.71 0.02 0.00 0.00 175.30 177.00 1dx4 s TYR 71 N -1.96 3.19 -0.37 -0.53 1.51 -1.26 -4.93 117.35 113.01 1dx4 s TYR 71 Ca 0.43 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.35 1dx4 s TYR 71 Cb -0.11 -2.77 0.46 0.00 -0.11 0.00 0.00 41.96 39.43 1dx4 s TYR 71 CO 0.28 -0.56 1.42 0.39 -1.11 0.00 0.00 175.55 175.97 1dx4 n GLU 72 N 5.48 2.99 0.17 -0.62 -0.58 -1.26 -4.72 120.64 122.09 1dx4 n GLU 72 Ca -0.08 -3.76 0.03 0.00 -0.42 0.00 0.00 57.16 52.93 1dx4 n GLU 72 Cb 0.48 -2.16 0.41 0.00 -0.57 0.00 0.00 31.44 29.60 1dx4 n GLU 72 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1dx4 h TYR 73 N 1.86 0.10 -2.40 -0.32 -1.99 -2.00 -3.25 116.97 108.98 1dx4 h TYR 73 Ca 0.38 -0.01 -0.60 0.00 2.00 0.00 0.00 58.73 60.49 1dx4 h TYR 73 Cb 1.38 -0.03 -0.41 0.00 2.00 0.00 0.00 36.73 39.67 1dx4 h TYR 73 CO 1.01 0.32 -0.72 1.19 -0.00 0.00 0.00 178.16 179.96 1dx4 n PHE 74 N -4.24 2.39 -1.58 4.88 3.01 -1.26 -5.08 117.46 115.58 1dx4 n PHE 74 Ca -0.02 -4.01 -0.53 0.00 1.01 0.00 0.00 57.45 53.90 1dx4 n PHE 74 Cb 0.30 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.25 1dx4 n PHE 74 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1dx4 n PRO 75 N 1.42 0.96 -0.83 -1.08 -0.02 -1.23 -0.39 135.00 133.84 1dx4 n PRO 75 Ca 0.26 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1dx4 n PRO 75 Cb 0.42 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1dx4 n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dx4 n GLY 76 N 2.35 1.29 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.10 1dx4 n GLY 76 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1dx4 n GLY 76 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dx4 s PHE 77 N -3.81 3.92 0.04 1.61 2.19 0.48 -4.93 117.98 117.48 1dx4 s PHE 77 Ca 0.00 1.89 -0.16 0.00 0.33 0.00 0.00 56.93 58.99 1dx4 s PHE 77 Cb 0.00 -2.99 -0.29 0.00 -1.31 0.00 0.00 43.02 38.43 1dx4 s PHE 77 CO 0.00 0.36 1.08 1.03 1.83 0.00 0.00 175.22 179.52 1dx4 h SER 78 N 3.99 0.82 -0.82 6.13 0.87 -1.95 -3.17 113.55 119.42 1dx4 h SER 78 Ca -0.45 -0.83 0.20 0.00 -1.23 0.00 0.00 61.79 59.47 1dx4 h SER 78 Cb 1.20 -0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 62.76 1dx4 h SER 78 CO 0.67 1.57 0.07 1.23 -0.53 0.00 0.00 176.83 179.85 1dx4 h GLY 79 N 0.18 1.04 1.63 5.77 0.00 -1.91 -1.28 103.07 108.49 1dx4 h GLY 79 Ca -0.18 0.07 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 1dx4 h GLY 79 CO 0.22 -0.33 -0.99 -2.09 0.00 0.00 0.00 176.54 173.35 1dx4 h GLU 80 N 0.13 0.32 -0.16 4.80 4.81 -1.91 -3.36 114.58 119.21 1dx4 h GLU 80 Ca 0.47 -0.39 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1dx4 h GLU 80 Cb 0.89 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1dx4 h GLU 80 CO -0.69 1.09 -0.50 0.93 -0.73 0.00 0.00 179.01 179.12 1dx4 h GLU 81 N 0.16 0.42 0.00 1.92 4.39 -1.22 -3.09 114.58 117.16 1dx4 h GLU 81 Ca -0.08 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1dx4 h GLU 81 Cb 1.65 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1dx4 h GLU 81 CO 0.16 0.83 0.06 0.44 -1.16 0.00 0.00 179.01 179.35 1dx4 n ILE 82 N -3.97 1.71 0.57 3.13 -5.35 -0.85 -0.50 119.36 114.10 1dx4 n ILE 82 Ca -0.02 0.51 0.06 0.00 -0.27 0.00 0.00 62.75 63.03 1dx4 n ILE 82 Cb 0.56 -1.51 0.02 0.00 -1.74 0.00 0.00 39.64 36.97 1dx4 n ILE 82 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1dx4 n TRP 83 N -1.47 0.00 -2.45 4.28 7.02 -1.17 -4.85 117.44 118.81 1dx4 n TRP 83 Ca -0.00 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.21 1dx4 n TRP 83 Cb 0.07 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 28.98 1dx4 n TRP 83 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1dx4 s ASN 84 N -1.46 5.86 0.19 -0.99 0.01 0.34 -4.81 114.94 114.08 1dx4 s ASN 84 Ca 0.12 0.83 -0.29 0.00 -0.71 0.00 0.00 52.86 52.81 1dx4 s ASN 84 Cb 0.11 -1.93 -0.17 0.00 0.41 0.00 0.00 41.25 39.66 1dx4 s ASN 84 CO 0.27 -0.89 0.58 -2.65 -1.51 0.00 0.00 177.10 172.91 1dx4 n PRO 85 N -2.48 0.06 -0.07 -0.60 -0.02 -1.26 -4.90 135.00 125.72 1dx4 n PRO 85 Ca 0.03 0.02 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 1dx4 n PRO 85 Cb 0.57 -1.07 -0.14 0.00 -0.02 0.00 0.00 33.50 32.83 1dx4 n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1dx4 n ASN 86 N 1.94 1.16 -4.43 2.55 5.15 -1.26 -5.00 115.26 115.36 1dx4 n ASN 86 Ca 0.18 0.09 -0.27 0.00 -0.60 0.00 0.00 54.58 53.97 1dx4 n ASN 86 Cb 0.24 0.01 -0.09 0.00 -0.53 0.00 0.00 39.78 39.42 1dx4 n ASN 86 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1dx4 s THR 87 N -2.53 1.02 0.49 -0.44 -4.23 -1.26 -5.10 115.64 103.59 1dx4 s THR 87 Ca -0.18 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.10 1dx4 s THR 87 Cb 0.07 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.40 1dx4 s THR 87 CO 0.75 0.00 1.05 0.59 -0.54 0.00 0.00 174.62 176.47 1dx4 n ASN 88 N -1.15 1.37 -4.60 3.99 3.02 -1.26 -4.41 115.26 112.22 1dx4 n ASN 88 Ca -0.09 0.97 -0.35 0.00 -0.03 0.00 0.00 54.58 55.07 1dx4 n ASN 88 Cb 0.66 -1.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.33 1dx4 n ASN 88 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1dx4 s VAL 89 N -1.35 4.80 0.16 2.41 -7.23 -1.26 -1.25 120.40 116.68 1dx4 s VAL 89 Ca 0.67 -0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.71 1dx4 s VAL 89 Cb -0.49 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.25 1dx4 s VAL 89 CO 0.54 0.41 0.32 -0.94 -0.31 0.00 0.00 175.10 175.12 1dx4 s SER 90 N 0.75 -0.01 0.55 4.85 1.04 -0.94 -4.84 113.70 115.10 1dx4 s SER 90 Ca 0.04 -0.75 0.33 0.00 0.48 0.00 0.00 55.95 56.06 1dx4 s SER 90 Cb -0.13 0.45 1.42 0.00 0.10 0.00 0.00 66.02 67.86 1dx4 s SER 90 CO 0.02 -0.90 2.01 -0.33 0.98 0.00 0.00 173.24 175.02 1dx4 h GLU 91 N 2.50 0.00 -5.29 4.02 5.08 -1.93 -3.22 114.58 115.74 1dx4 h GLU 91 Ca -0.32 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.37 1dx4 h GLU 91 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 1dx4 h GLU 91 CO 0.47 0.03 1.13 0.34 -1.00 0.00 0.00 179.01 179.98 1dx4 s ASP 92 N -5.72 6.67 0.00 1.42 -1.08 -1.26 -4.44 116.67 112.26 1dx4 s ASP 92 Ca 0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 52.55 49.98 1dx4 s ASP 92 Cb 0.10 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1dx4 s ASP 92 CO 0.54 -1.13 0.07 0.00 0.52 0.00 0.00 175.17 175.17 1dx4 s LEU 94 N -0.13 3.10 0.08 0.00 1.43 -1.26 -4.48 118.68 117.41 1dx4 s LEU 94 Ca 0.00 -1.28 0.04 0.00 -1.03 0.00 0.00 54.13 51.85 1dx4 s LEU 94 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1dx4 s LEU 94 CO 0.00 -2.94 -0.11 -0.31 0.23 0.00 0.00 176.35 173.22 1dx4 s TYR 95 N 10.62 1.03 0.19 0.29 2.02 -1.26 -3.00 117.35 127.25 1dx4 s TYR 95 Ca 0.69 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 1dx4 s TYR 95 Cb -0.03 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1dx4 s TYR 95 CO 0.08 0.00 0.04 0.42 -1.57 0.00 0.00 175.55 174.52 1dx4 s ILE 96 N -1.80 3.89 -0.03 2.71 1.01 0.33 -2.27 121.20 125.05 1dx4 s ILE 96 Ca -0.00 -1.40 0.03 0.00 0.00 0.00 0.00 60.65 59.27 1dx4 s ILE 96 Cb -0.07 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1dx4 s ILE 96 CO 0.01 -0.15 -0.09 0.20 0.00 0.00 0.00 174.94 174.90 1dx4 s ASN 97 N -3.11 1.27 -0.04 3.58 0.01 0.50 -1.21 114.94 115.95 1dx4 s ASN 97 Ca 0.29 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.26 1dx4 s ASN 97 Cb -0.09 -0.35 0.02 0.00 0.41 0.00 0.00 41.25 41.23 1dx4 s ASN 97 CO 0.20 0.07 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.11 1dx4 s VAL 98 N 0.21 0.64 -0.31 1.60 1.01 0.12 -1.00 120.40 122.67 1dx4 s VAL 98 Ca -0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1dx4 s VAL 98 Cb -0.09 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1dx4 s VAL 98 CO 0.01 0.23 0.06 0.26 0.00 0.00 0.00 175.10 175.66 1dx4 s TRP 99 N 0.65 3.19 -0.13 5.22 0.51 0.35 -1.03 118.94 127.70 1dx4 s TRP 99 Ca -0.10 -1.29 0.02 0.00 -2.12 0.00 0.00 56.10 52.62 1dx4 s TRP 99 Cb -0.13 -2.22 0.01 0.00 -0.81 0.00 0.00 33.47 30.32 1dx4 s TRP 99 CO 0.01 -0.67 -0.20 0.00 -0.51 0.00 0.00 176.95 175.57 1dx4 s ALA 100 N 1.42 2.08 0.53 0.98 0.00 -0.22 -2.04 121.76 124.50 1dx4 s ALA 100 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1dx4 s ALA 100 Cb -0.18 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 1dx4 s ALA 100 CO 0.01 -0.02 1.26 -2.30 0.00 0.00 0.00 175.76 174.71 1dx4 n PRO 101 N 4.07 1.58 0.00 0.00 -0.02 -1.26 0.66 135.00 140.03 1dx4 n PRO 101 Ca -0.20 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1dx4 n PRO 101 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1dx4 n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dx4 n ALA 102 N -0.98 1.19 0.00 3.55 0.00 -0.08 -4.67 120.51 119.52 1dx4 n ALA 102 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1dx4 n ALA 102 Cb 0.44 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1dx4 n ALA 102 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dx4 n THR 137 N 0.03 0.00 0.00 0.00 -2.24 -1.26 -5.00 114.28 105.81 1dx4 n THR 137 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dx4 n THR 137 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1dx4 n THR 137 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dx4 n THR 138 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -4.69 114.28 110.37 1dx4 n THR 138 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dx4 n THR 138 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1dx4 n THR 138 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1dx4 n ASN 139 N 0.00 0.00 0.00 3.42 6.94 -1.26 -5.11 115.26 119.25 1dx4 n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1dx4 n ASN 139 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1dx4 n ASN 139 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1dx4 n GLY 140 N 0.00 3.90 3.70 4.83 0.00 -1.26 -4.72 105.19 111.63 1dx4 n GLY 140 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1dx4 n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dx4 s LEU 141 N 0.00 2.93 0.50 0.99 1.43 0.11 -3.84 118.68 120.80 1dx4 s LEU 141 Ca 0.00 2.14 -0.20 0.00 -1.03 0.00 0.00 54.13 55.04 1dx4 s LEU 141 Cb 0.00 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 1dx4 s LEU 141 CO 0.00 -2.82 1.08 -2.84 0.23 0.00 0.00 176.35 172.00 1dx4 s PRO 142 N -4.62 3.65 -0.17 1.29 0.02 -1.26 -0.51 135.00 133.40 1dx4 s PRO 142 Ca 0.66 1.49 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1dx4 s PRO 142 Cb -0.22 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.22 1dx4 s PRO 142 CO 0.56 -0.58 -0.18 0.42 -0.33 0.00 0.00 177.00 176.89 1dx4 s ILE 143 N -1.86 1.91 -0.19 2.83 1.01 0.11 -0.64 121.20 124.37 1dx4 s ILE 143 Ca 0.69 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 1dx4 s ILE 143 Cb -0.20 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1dx4 s ILE 143 CO 0.24 0.50 -0.01 -0.76 0.00 0.00 0.00 174.94 174.90 1dx4 s LEU 144 N 1.35 3.20 -0.21 2.97 1.02 0.34 -1.33 118.68 126.02 1dx4 s LEU 144 Ca 0.05 -0.22 -0.04 0.00 0.02 0.00 0.00 54.13 53.94 1dx4 s LEU 144 Cb -0.13 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1dx4 s LEU 144 CO -0.12 0.07 -0.04 -0.63 0.02 0.00 0.00 176.35 175.65 1dx4 s ILE 145 N 0.95 3.49 -0.14 -0.59 1.01 -0.72 -0.07 121.20 125.14 1dx4 s ILE 145 Ca 0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1dx4 s ILE 145 Cb -0.14 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1dx4 s ILE 145 CO 0.02 0.43 0.24 0.86 0.00 0.00 0.00 174.94 176.48 1dx4 s TRP 146 N 1.33 3.52 -0.25 3.97 -0.11 0.19 -1.44 118.94 126.16 1dx4 s TRP 146 Ca 0.04 0.58 0.02 0.00 1.22 0.00 0.00 56.10 57.96 1dx4 s TRP 146 Cb -0.14 -2.20 0.05 0.00 -1.50 0.00 0.00 33.47 29.68 1dx4 s TRP 146 CO -0.02 0.42 -0.12 0.42 -4.62 0.00 0.00 176.95 173.04 1dx4 s ILE 147 N -0.12 2.24 0.83 5.86 1.01 -0.60 -4.14 121.20 126.28 1dx4 s ILE 147 Ca 0.15 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.21 1dx4 s ILE 147 Cb -0.13 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.18 1dx4 s ILE 147 CO 0.04 0.07 1.09 -0.72 0.00 0.00 0.00 174.94 175.42 1dx4 s TYR 148 N 1.15 2.42 0.05 3.97 -0.85 -1.26 -3.90 117.35 118.93 1dx4 s TYR 148 Ca -0.06 1.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.96 1dx4 s TYR 148 Cb -0.19 -3.10 0.00 0.00 0.38 0.00 0.00 41.96 39.05 1dx4 s TYR 148 CO -0.06 -2.09 0.04 0.41 -1.52 0.00 0.00 175.55 172.33 1dx4 n GLY 149 N -1.07 2.94 0.00 5.49 0.00 -1.23 -3.09 105.19 108.23 1dx4 n GLY 149 Ca 0.08 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1dx4 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dx4 n GLY 150 N 4.40 0.10 2.52 -0.02 0.00 -1.26 -4.15 105.19 106.79 1dx4 n GLY 150 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1dx4 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dx4 n GLY 151 N 0.00 1.13 2.90 -0.02 0.00 -1.26 -0.83 105.19 107.12 1dx4 n GLY 151 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1dx4 n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dx4 n PHE 152 N -2.91 -0.00 -0.05 1.61 3.72 -1.26 -4.67 117.46 113.89 1dx4 n PHE 152 Ca -0.22 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.12 1dx4 n PHE 152 Cb 0.68 -1.96 -0.07 0.00 -0.94 0.00 0.00 39.48 37.20 1dx4 n PHE 152 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1dx4 n MET 153 N 0.77 1.59 -3.68 -1.08 2.81 -0.72 0.06 117.12 116.86 1dx4 n MET 153 Ca -0.01 0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.76 1dx4 n MET 153 Cb 0.47 -1.25 -0.06 0.00 -0.71 0.00 0.00 33.22 31.68 1dx4 n MET 153 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1dx4 n THR 154 N -2.56 0.00 0.00 2.03 -2.24 -0.01 -4.17 114.28 107.34 1dx4 n THR 154 Ca -0.18 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 1dx4 n THR 154 Cb 0.78 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1dx4 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dx4 n GLY 155 N -0.42 3.53 3.54 3.38 0.00 -1.26 -3.99 105.19 109.97 1dx4 n GLY 155 Ca 0.05 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1dx4 n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dx4 s SER 156 N 0.00 -0.66 0.00 1.61 0.15 -1.26 -4.71 113.70 108.83 1dx4 s SER 156 Ca 0.00 1.16 0.24 0.00 0.70 0.00 0.00 55.95 58.05 1dx4 s SER 156 Cb 0.00 1.15 1.27 0.00 -1.71 0.00 0.00 66.02 66.73 1dx4 s SER 156 CO 0.00 -0.31 1.84 0.00 1.20 0.00 0.00 173.24 175.97 1dx4 n ALA 157 N 2.33 2.61 0.69 5.45 0.00 -1.26 -3.53 120.51 126.81 1dx4 n ALA 157 Ca -0.15 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.14 1dx4 n ALA 157 Cb 0.56 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.79 1dx4 n ALA 157 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dx4 n THR 158 N -0.51 0.15 -1.62 0.00 -2.24 -1.26 -4.88 114.28 103.92 1dx4 n THR 158 Ca 0.18 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1dx4 n THR 158 Cb 0.17 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1dx4 n THR 158 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dx4 n LEU 159 N -1.85 2.56 -0.11 3.22 4.77 -1.23 -4.87 117.00 119.48 1dx4 n LEU 159 Ca 0.03 1.11 -0.05 0.00 -0.03 0.00 0.00 56.01 57.07 1dx4 n LEU 159 Cb 0.41 -1.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1dx4 n LEU 159 CO 0.39 -1.28 0.85 0.44 -1.33 0.00 0.00 177.39 176.46 1dx4 h ASP 160 N 1.85 -0.16 -0.53 -1.43 5.19 -1.92 -1.95 116.42 117.46 1dx4 h ASP 160 Ca -0.43 0.09 0.15 0.00 -0.62 0.00 0.00 57.03 56.22 1dx4 h ASP 160 Cb 1.33 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.97 1dx4 h ASP 160 CO 0.59 -0.04 0.68 -0.29 -3.12 0.00 0.00 179.24 177.06 1dx4 h ILE 161 N 0.10 0.21 -0.24 0.35 6.09 -1.91 0.64 117.51 122.75 1dx4 h ILE 161 Ca 0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 1dx4 h ILE 161 Cb 0.25 0.44 0.00 0.00 0.47 0.00 0.00 36.82 37.98 1dx4 h ILE 161 CO -0.31 0.00 0.00 -1.22 -3.07 0.00 0.00 178.15 173.55 1dx4 n TYR 162 N -3.44 0.30 -1.68 2.19 4.01 -0.73 -4.73 117.16 113.07 1dx4 n TYR 162 Ca 0.11 -0.15 -0.44 0.00 -0.16 0.00 0.00 57.90 57.26 1dx4 n TYR 162 Cb 0.88 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.87 1dx4 n TYR 162 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1dx4 n ASN 163 N 0.88 3.81 -1.84 7.72 5.15 0.22 -4.85 115.26 126.35 1dx4 n ASN 163 Ca 0.17 0.98 0.03 0.00 -0.60 0.00 0.00 54.58 55.16 1dx4 n ASN 163 Cb 0.47 -1.49 0.35 0.00 -0.53 0.00 0.00 39.78 38.58 1dx4 n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dx4 n ALA 164 N 5.92 4.00 0.29 5.20 0.00 -1.26 -4.59 120.51 130.06 1dx4 n ALA 164 Ca 0.19 -1.90 -0.13 0.00 0.00 0.00 0.00 53.44 51.61 1dx4 n ALA 164 Cb 0.35 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1dx4 n ALA 164 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1dx4 h ASP 165 N 3.38 -0.80 -0.57 0.00 3.32 -1.93 -1.16 116.42 118.65 1dx4 h ASP 165 Ca 0.07 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.27 1dx4 h ASP 165 Cb 1.99 0.23 -0.08 0.00 0.22 0.00 0.00 39.33 41.69 1dx4 h ASP 165 CO 0.53 -0.50 0.10 0.40 -1.72 0.00 0.00 179.24 178.05 1dx4 h ILE 166 N -0.80 0.64 0.00 0.35 2.04 -1.86 -1.58 117.51 116.31 1dx4 h ILE 166 Ca -0.07 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1dx4 h ILE 166 Cb 0.64 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1dx4 h ILE 166 CO 0.08 0.04 -0.03 -0.03 0.00 0.00 0.00 178.15 178.22 1dx4 h MET 167 N 0.22 -0.05 0.30 2.37 4.05 -1.66 0.16 114.93 120.32 1dx4 h MET 167 Ca 0.30 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1dx4 h MET 167 Cb 0.44 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1dx4 h MET 167 CO -0.40 -0.03 -0.32 0.00 0.23 0.00 0.00 176.91 176.39 1dx4 h ALA 168 N 0.95 -0.67 0.20 0.39 0.00 -0.76 -1.00 119.26 118.37 1dx4 h ALA 168 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dx4 h ALA 168 Cb 0.06 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1dx4 h ALA 168 CO -0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 179.25 178.17 1dx4 h ALA 169 N -0.11 -0.96 -1.00 0.00 0.00 -1.17 1.14 119.26 117.16 1dx4 h ALA 169 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1dx4 h ALA 169 Cb 0.60 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1dx4 h ALA 169 CO -0.07 -0.95 0.63 0.28 0.00 0.00 0.00 179.25 179.14 1dx4 h VAL 170 N -0.32 0.96 0.00 0.00 2.07 -1.05 -2.05 116.25 115.86 1dx4 h VAL 170 Ca -0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1dx4 h VAL 170 Cb 0.26 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1dx4 h VAL 170 CO 0.01 0.19 -0.88 1.23 0.02 0.00 0.00 177.57 178.14 1dx4 h GLY 171 N 1.03 0.00 -5.33 2.17 0.00 -1.21 -3.49 103.07 96.24 1dx4 h GLY 171 Ca 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.66 1dx4 h GLY 171 CO -0.24 0.00 -0.52 -2.01 0.00 0.00 0.00 176.54 173.77 1dx4 n ASN 172 N -2.70 -6.90 -3.92 0.19 4.05 0.38 -5.03 115.26 101.34 1dx4 n ASN 172 Ca 0.01 -0.45 -0.10 0.00 0.45 0.00 0.00 54.58 54.49 1dx4 n ASN 172 Cb 0.54 -5.09 -0.06 0.00 1.23 0.00 0.00 39.78 36.40 1dx4 n ASN 172 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1dx4 s VAL 173 N -3.24 0.06 0.09 3.44 -7.23 -0.56 -4.76 120.40 108.20 1dx4 s VAL 173 Ca 0.28 -1.26 -0.23 0.00 -1.81 0.00 0.00 61.98 58.96 1dx4 s VAL 173 Cb -0.04 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 1dx4 s VAL 173 CO 0.72 -0.25 0.69 -0.63 -0.31 0.00 0.00 175.10 175.31 1dx4 s ILE 174 N -3.95 4.61 -0.06 -0.62 -1.09 0.19 -4.40 121.20 115.88 1dx4 s ILE 174 Ca 0.16 1.48 -0.01 0.00 -2.23 0.00 0.00 60.65 60.05 1dx4 s ILE 174 Cb 0.02 -4.03 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1dx4 s ILE 174 CO -0.00 0.49 0.01 -0.69 -1.23 0.00 0.00 174.94 173.52 1dx4 s VAL 175 N -0.83 0.25 0.20 2.92 1.01 -0.87 -0.51 120.40 122.57 1dx4 s VAL 175 Ca 0.33 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.59 1dx4 s VAL 175 Cb -0.21 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1dx4 s VAL 175 CO 0.22 0.22 -0.20 0.00 0.00 0.00 0.00 175.10 175.35 1dx4 s ALA 176 N 1.83 2.31 0.19 5.51 0.00 0.90 -0.50 121.76 131.99 1dx4 s ALA 176 Ca 0.02 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 1dx4 s ALA 176 Cb -0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1dx4 s ALA 176 CO -0.04 0.30 0.21 -1.54 0.00 0.00 0.00 175.76 174.69 1dx4 s SER 177 N -2.85 0.11 0.02 0.00 1.04 -0.17 -0.63 113.70 111.21 1dx4 s SER 177 Ca 0.20 -1.19 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 1dx4 s SER 177 Cb -0.06 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.57 1dx4 s SER 177 CO 0.09 -0.89 0.95 0.72 0.98 0.00 0.00 173.24 175.09 1dx4 s PHE 178 N -4.08 -0.27 0.10 5.02 -0.12 -1.26 -0.37 117.98 117.00 1dx4 s PHE 178 Ca 0.30 0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.17 1dx4 s PHE 178 Cb 0.05 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.94 1dx4 s PHE 178 CO 0.08 -0.57 0.44 -0.65 -0.05 0.00 0.00 175.22 174.47 1dx4 s GLN 179 N -3.07 3.82 0.02 1.99 -1.52 -0.96 -4.51 119.66 115.42 1dx4 s GLN 179 Ca 0.07 0.27 0.02 0.00 -1.95 0.00 0.00 55.36 53.77 1dx4 s GLN 179 Cb -0.01 -2.98 -0.01 0.00 -0.22 0.00 0.00 33.01 29.79 1dx4 s GLN 179 CO -0.06 0.54 -0.07 1.52 -0.25 0.00 0.00 175.29 176.97 1dx4 s TYR 180 N -1.41 0.63 0.29 0.91 1.13 -1.26 -4.45 117.35 113.18 1dx4 s TYR 180 Ca 0.34 -0.26 -0.30 0.00 -1.41 0.00 0.00 57.07 55.44 1dx4 s TYR 180 Cb -0.14 -0.39 -0.12 0.00 -1.10 0.00 0.00 41.96 40.21 1dx4 s TYR 180 CO 0.18 -0.03 1.57 0.54 -2.51 0.00 0.00 175.55 175.30 1dx4 n ARG 181 N 2.32 2.61 -4.48 -3.49 1.74 -1.26 -4.91 116.66 109.18 1dx4 n ARG 181 Ca -0.17 0.93 -0.24 0.00 -0.77 0.00 0.00 57.85 57.60 1dx4 n ARG 181 Cb 0.57 -2.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.21 1dx4 n ARG 181 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1dx4 s VAL 182 N -0.06 2.10 0.00 1.55 -7.23 -1.26 -4.31 120.40 111.20 1dx4 s VAL 182 Ca 0.64 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1dx4 s VAL 182 Cb -0.52 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1dx4 s VAL 182 CO 0.49 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1dx4 n GLY 183 N -0.67 -0.90 0.35 2.32 0.00 0.11 -3.40 105.19 103.00 1dx4 n GLY 183 Ca -0.05 -1.16 0.18 0.00 0.00 0.00 0.00 46.02 44.99 1dx4 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dx4 h ALA 184 N -0.43 1.89 -0.40 4.61 0.00 -1.90 0.13 119.26 123.16 1dx4 h ALA 184 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1dx4 h ALA 184 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dx4 h ALA 184 CO 0.00 -0.41 0.03 0.74 0.00 0.00 0.00 179.25 179.60 1dx4 h PHE 185 N 0.00 0.65 0.00 0.00 0.04 -1.94 -2.26 116.94 113.42 1dx4 h PHE 185 Ca 0.12 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1dx4 h PHE 185 Cb 0.68 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1dx4 h PHE 185 CO 0.00 0.61 -0.85 0.41 -0.60 0.00 0.00 178.31 177.88 1dx4 n GLY 186 N -0.84 -0.49 1.07 -1.45 0.00 0.24 -4.20 105.19 99.52 1dx4 n GLY 186 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.65 1dx4 n GLY 186 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dx4 n PHE 187 N -1.45 0.00 -2.40 1.61 3.72 -0.02 -0.90 117.46 118.02 1dx4 n PHE 187 Ca 0.02 -0.65 -0.43 0.00 -0.05 0.00 0.00 57.45 56.34 1dx4 n PHE 187 Cb 0.26 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1dx4 n PHE 187 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1dx4 s LEU 188 N -0.83 4.01 -0.27 4.37 2.96 -0.86 -4.62 118.68 123.44 1dx4 s LEU 188 Ca 0.29 1.43 -0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1dx4 s LEU 188 Cb 0.32 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.51 1dx4 s LEU 188 CO -0.11 -0.96 -0.03 -2.28 -1.32 0.00 0.00 176.35 171.65 1dx4 s HIS 189 N 4.06 3.17 0.00 5.38 5.65 -1.26 -3.26 115.29 129.04 1dx4 s HIS 189 Ca 0.56 -1.73 0.00 0.00 0.25 0.00 0.00 55.06 54.14 1dx4 s HIS 189 Cb -0.19 -2.08 0.00 0.00 -1.18 0.00 0.00 32.58 29.13 1dx4 s HIS 189 CO 0.20 -0.77 0.02 1.28 -0.65 0.00 0.00 174.74 174.82 1dx4 n LEU 190 N 4.64 0.04 -0.33 8.88 4.77 -0.92 -3.89 117.00 130.19 1dx4 n LEU 190 Ca -0.15 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1dx4 n LEU 190 Cb 0.45 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.78 1dx4 n LEU 190 CO 0.26 0.01 0.77 0.00 -1.33 0.00 0.00 177.39 177.11 1dx4 h ALA 191 N 0.00 1.00 -0.48 -1.18 0.00 -1.81 0.02 119.26 116.80 1dx4 h ALA 191 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1dx4 h ALA 191 Cb 0.24 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1dx4 h ALA 191 CO 0.00 -0.51 0.32 -1.35 0.00 0.00 0.00 179.25 177.71 1dx4 h PRO 192 N 0.02 0.48 0.00 0.00 0.11 -1.91 -2.38 132.00 128.32 1dx4 h PRO 192 Ca 0.55 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1dx4 h PRO 192 Cb 1.05 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1dx4 h PRO 192 CO -0.91 0.32 0.00 0.39 -0.21 0.00 0.00 178.00 177.59 1dx4 n GLU 193 N -4.48 0.08 -4.37 1.05 -0.58 -0.01 -4.86 120.64 107.47 1dx4 n GLU 193 Ca 0.06 0.08 -0.27 0.00 -0.42 0.00 0.00 57.16 56.61 1dx4 n GLU 193 Cb 0.18 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.47 1dx4 n GLU 193 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1dx4 s MET 194 N -2.91 2.12 0.51 3.49 -1.94 -0.90 -4.10 119.30 115.58 1dx4 s MET 194 Ca 0.14 -2.02 -0.17 0.00 -1.71 0.00 0.00 55.69 51.94 1dx4 s MET 194 Cb 0.16 -1.81 -0.08 0.00 2.01 0.00 0.00 34.83 35.11 1dx4 s MET 194 CO 0.42 -0.14 0.99 -2.14 -0.01 0.00 0.00 175.02 174.14 1dx4 s PRO 195 N -3.85 3.94 0.37 2.03 0.02 -1.26 -4.92 135.00 131.32 1dx4 s PRO 195 Ca 0.35 0.98 0.20 0.00 0.02 0.00 0.00 61.00 62.54 1dx4 s PRO 195 Cb 0.06 -2.13 1.28 0.00 0.02 0.00 0.00 34.50 33.72 1dx4 s PRO 195 CO 0.19 -0.28 1.61 0.77 -0.33 0.00 0.00 177.00 178.95 1dx4 h SER 196 N 0.98 0.38 -0.87 2.53 0.02 -1.98 0.29 113.55 114.89 1dx4 h SER 196 Ca -0.47 0.23 0.21 0.00 -0.84 0.00 0.00 61.79 60.92 1dx4 h SER 196 Cb 1.19 0.22 -0.12 0.00 0.14 0.00 0.00 62.40 63.83 1dx4 h SER 196 CO 0.61 -0.34 0.35 -0.08 -1.14 0.00 0.00 176.83 176.23 1dx4 h GLU 197 N 0.10 0.36 -0.65 3.45 4.81 -2.00 -0.90 114.58 119.76 1dx4 h GLU 197 Ca 0.82 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.02 1dx4 h GLU 197 Cb 2.10 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1dx4 h GLU 197 CO -0.70 0.24 0.00 1.19 -0.73 0.00 0.00 179.01 179.01 1dx4 n PHE 198 N -5.07 1.73 -0.24 0.92 3.01 0.10 -4.61 117.46 113.30 1dx4 n PHE 198 Ca 0.21 -0.60 0.12 0.00 1.01 0.00 0.00 57.45 58.18 1dx4 n PHE 198 Cb 0.62 -0.43 0.40 0.00 -0.01 0.00 0.00 39.48 40.06 1dx4 n PHE 198 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dx4 h ALA 199 N 3.73 1.88 -0.14 4.37 0.00 -1.17 -0.77 119.26 127.15 1dx4 h ALA 199 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dx4 h ALA 199 Cb 1.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1dx4 h ALA 199 CO 0.40 -0.10 0.00 -1.91 0.00 0.00 0.00 179.25 177.64 1dx4 n GLU 200 N -4.53 1.36 -0.03 0.00 4.07 -1.26 -3.71 120.64 116.53 1dx4 n GLU 200 Ca 0.16 -0.52 -0.15 0.00 -0.06 0.00 0.00 57.16 56.59 1dx4 n GLU 200 Cb 0.45 -1.15 -0.12 0.00 -0.06 0.00 0.00 31.44 30.57 1dx4 n GLU 200 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1dx4 h GLU 201 N 0.83 0.13 -1.20 5.31 4.57 -1.49 -3.42 114.58 119.31 1dx4 h GLU 201 Ca 0.00 -0.14 -0.40 0.00 -1.18 0.00 0.00 59.36 57.64 1dx4 h GLU 201 Cb 0.24 0.04 -0.30 0.00 -0.16 0.00 0.00 28.75 28.57 1dx4 h GLU 201 CO 0.01 0.90 -0.88 0.00 -1.18 0.00 0.00 179.01 177.86 1dx4 n ALA 202 N -2.53 0.89 -0.29 2.92 0.00 -1.26 -4.25 120.51 115.98 1dx4 n ALA 202 Ca -0.10 -2.61 0.07 0.00 0.00 0.00 0.00 53.44 50.80 1dx4 n ALA 202 Cb 0.48 -1.02 0.29 0.00 0.00 0.00 0.00 19.45 19.20 1dx4 n ALA 202 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1dx4 h PRO 203 N 3.42 0.88 0.00 0.00 0.14 -1.77 -2.40 132.00 132.27 1dx4 h PRO 203 Ca 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 66.00 66.09 1dx4 h PRO 203 Cb 0.99 -0.20 0.00 0.00 0.14 0.00 0.00 31.00 31.93 1dx4 h PRO 203 CO 0.38 0.58 0.00 0.41 0.14 0.00 0.00 178.00 179.51 1dx4 n GLY 204 N -1.40 0.61 2.37 1.56 0.00 -1.20 -4.76 105.19 102.37 1dx4 n GLY 204 Ca 0.15 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 1dx4 n GLY 204 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dx4 n ASN 205 N -0.56 -4.67 0.29 1.61 3.02 -1.22 -4.80 115.26 108.94 1dx4 n ASN 205 Ca 0.00 0.42 0.19 0.00 -0.03 0.00 0.00 54.58 55.17 1dx4 n ASN 205 Cb 0.00 -4.15 0.89 0.00 -0.61 0.00 0.00 39.78 35.92 1dx4 n ASN 205 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1dx4 h VAL 206 N 0.00 0.00 -0.15 2.41 -1.51 -1.46 0.61 116.25 116.15 1dx4 h VAL 206 Ca -0.35 -0.27 -0.10 0.00 -1.23 0.00 0.00 66.70 64.74 1dx4 h VAL 206 Cb 1.14 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1dx4 h VAL 206 CO 0.51 0.00 -0.35 1.23 -1.23 0.00 0.00 177.57 177.73 1dx4 h GLY 207 N 1.16 0.33 1.70 5.19 0.00 -1.22 0.36 103.07 110.58 1dx4 h GLY 207 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 1dx4 h GLY 207 CO 0.00 0.26 -0.86 1.41 0.00 0.00 0.00 176.54 177.35 1dx4 h LEU 208 N 0.26 0.35 -0.85 3.11 3.38 -1.16 -2.86 115.31 117.54 1dx4 h LEU 208 Ca 0.03 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1dx4 h LEU 208 Cb 0.75 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1dx4 h LEU 208 CO 0.06 1.06 -0.14 -0.50 0.09 0.00 0.00 178.44 179.00 1dx4 h TRP 209 N 0.16 0.77 0.09 1.13 4.06 -0.77 -1.12 115.95 120.27 1dx4 h TRP 209 Ca -0.05 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 60.77 1dx4 h TRP 209 Cb 1.48 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 29.42 1dx4 h TRP 209 CO 0.04 0.80 -0.17 -0.44 -3.56 0.00 0.00 178.44 175.11 1dx4 h ASP 210 N 0.63 -0.47 -0.46 -3.49 3.32 -0.87 -0.51 116.42 114.58 1dx4 h ASP 210 Ca 0.10 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.28 1dx4 h ASP 210 Cb 0.60 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1dx4 h ASP 210 CO 0.04 -0.24 0.09 1.56 -1.72 0.00 0.00 179.24 178.97 1dx4 h GLN 211 N -0.32 0.22 -0.97 3.56 4.20 -1.25 -0.66 115.11 119.88 1dx4 h GLN 211 Ca 0.03 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1dx4 h GLN 211 Cb 0.34 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 1dx4 h GLN 211 CO -0.10 0.14 0.63 0.00 -0.67 0.00 0.00 178.83 178.84 1dx4 h ALA 212 N 1.35 1.42 -0.28 3.87 0.00 -0.80 -1.11 119.26 123.71 1dx4 h ALA 212 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1dx4 h ALA 212 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dx4 h ALA 212 CO -0.29 0.44 -0.16 1.25 0.00 0.00 0.00 179.25 180.49 1dx4 h LEU 213 N 1.15 0.63 -0.78 0.00 5.85 0.14 -1.22 115.31 121.08 1dx4 h LEU 213 Ca 0.41 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1dx4 h LEU 213 Cb 0.14 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1dx4 h LEU 213 CO -0.15 0.91 0.52 0.00 -0.34 0.00 0.00 178.44 179.38 1dx4 h ALA 214 N 0.74 0.99 -0.39 1.25 0.00 -0.75 0.19 119.26 121.28 1dx4 h ALA 214 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1dx4 h ALA 214 Cb 0.69 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dx4 h ALA 214 CO 0.05 0.40 -0.15 0.82 0.00 0.00 0.00 179.25 180.37 1dx4 h ILE 215 N 1.06 1.26 -0.46 0.00 2.04 -1.11 -0.74 117.51 119.57 1dx4 h ILE 215 Ca 0.29 -1.20 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 1dx4 h ILE 215 Cb -0.12 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1dx4 h ILE 215 CO -0.06 0.40 -0.21 -0.09 0.00 0.00 0.00 178.15 178.19 1dx4 h ARG 216 N 0.64 0.95 -0.30 2.37 2.43 -0.44 -0.84 114.38 119.20 1dx4 h ARG 216 Ca 0.11 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1dx4 h ARG 216 Cb 0.62 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1dx4 h ARG 216 CO 0.04 1.08 0.19 2.35 -1.51 0.00 0.00 179.97 182.13 1dx4 h TRP 217 N 0.80 0.37 -0.67 2.20 7.01 -0.30 -0.80 115.95 124.55 1dx4 h TRP 217 Ca 0.10 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 1dx4 h TRP 217 Cb 0.79 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 1dx4 h TRP 217 CO 0.05 0.23 0.29 -0.07 -2.79 0.00 0.00 178.44 176.15 1dx4 h LEU 218 N 0.40 0.89 -1.43 0.65 3.38 -0.97 -0.83 115.31 117.40 1dx4 h LEU 218 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1dx4 h LEU 218 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1dx4 h LEU 218 CO -0.03 0.78 -0.17 0.50 0.09 0.00 0.00 178.44 179.61 1dx4 h LYS 219 N 0.96 0.17 0.01 1.13 3.64 -0.31 -0.35 116.57 121.81 1dx4 h LYS 219 Ca 0.23 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.38 1dx4 h LYS 219 Cb 0.16 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1dx4 h LYS 219 CO -0.02 0.34 -0.87 -0.44 -2.27 0.00 0.00 179.45 176.19 1dx4 h ASP 220 N 0.16 0.17 -0.39 4.20 3.32 0.14 -3.29 116.42 120.73 1dx4 h ASP 220 Ca 0.03 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1dx4 h ASP 220 Cb 0.40 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1dx4 h ASP 220 CO 0.03 0.96 0.00 0.59 -1.72 0.00 0.00 179.24 179.09 1dx4 n ASN 221 N -3.62 4.55 0.30 6.45 3.02 -0.47 -4.65 115.26 120.84 1dx4 n ASN 221 Ca -0.03 -2.94 -0.17 0.00 -0.03 0.00 0.00 54.58 51.41 1dx4 n ASN 221 Cb 0.81 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 1dx4 n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dx4 h ALA 222 N 2.66 -0.87 -0.83 5.41 0.00 -1.15 -2.73 119.26 121.76 1dx4 h ALA 222 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1dx4 h ALA 222 Cb 1.62 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 19.81 1dx4 h ALA 222 CO 0.31 -1.01 0.52 0.45 0.00 0.00 0.00 179.25 179.53 1dx4 h HIS 223 N -0.85 0.98 -0.14 0.00 3.86 -1.73 0.30 115.15 117.57 1dx4 h HIS 223 Ca -0.06 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1dx4 h HIS 223 Cb 0.70 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1dx4 h HIS 223 CO -0.13 0.55 0.36 0.00 0.86 0.00 0.00 177.93 179.58 1dx4 h ALA 224 N 1.36 1.61 -0.14 2.45 0.00 -1.79 0.56 119.26 123.30 1dx4 h ALA 224 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1dx4 h ALA 224 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1dx4 h ALA 224 CO -0.13 -0.44 0.00 1.19 0.00 0.00 0.00 179.25 179.87 1dx4 n PHE 225 N -3.19 0.18 -0.21 0.00 3.01 -0.62 -4.75 117.46 111.87 1dx4 n PHE 225 Ca 0.01 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1dx4 n PHE 225 Cb 0.46 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1dx4 n PHE 225 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dx4 n GLY 226 N 0.63 0.87 3.95 1.37 0.00 0.19 -4.85 105.19 107.35 1dx4 n GLY 226 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1dx4 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dx4 s GLY 227 N -1.94 1.34 -0.41 -0.02 0.00 0.97 0.06 107.32 107.32 1dx4 s GLY 227 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 1dx4 s GLY 227 CO 0.00 -1.00 0.24 0.21 0.00 0.00 0.00 173.10 172.55 1dx4 s ASN 228 N -3.91 5.59 0.39 1.64 3.84 0.34 -2.35 114.94 120.47 1dx4 s ASN 228 Ca 0.37 -1.47 0.26 0.00 0.21 0.00 0.00 52.86 52.24 1dx4 s ASN 228 Cb -0.10 -1.97 1.35 0.00 -0.55 0.00 0.00 41.25 39.99 1dx4 s ASN 228 CO 0.32 -0.51 1.48 -2.65 -2.79 0.00 0.00 177.10 172.96 1dx4 n PRO 229 N 4.89 -0.04 0.00 0.43 -0.02 -1.26 0.20 135.00 139.20 1dx4 n PRO 229 Ca -0.10 1.24 0.14 0.00 -2.02 0.00 0.00 63.50 62.76 1dx4 n PRO 229 Cb 0.43 -2.34 0.60 0.00 -0.02 0.00 0.00 33.50 32.17 1dx4 n PRO 229 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1dx4 n GLU 230 N -4.83 0.65 -2.38 -0.52 1.02 -1.26 -4.17 120.64 109.15 1dx4 n GLU 230 Ca 0.37 -0.23 -0.35 0.00 -0.02 0.00 0.00 57.16 56.94 1dx4 n GLU 230 Cb 1.37 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 31.30 1dx4 n GLU 230 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1dx4 n TRP 231 N -0.98 3.21 -4.38 -0.32 -0.00 0.13 -5.02 117.44 110.09 1dx4 n TRP 231 Ca 0.14 -2.84 -0.33 0.00 -0.00 0.00 0.00 57.50 54.47 1dx4 n TRP 231 Cb 0.28 -0.80 -0.10 0.00 -0.00 0.00 0.00 31.31 30.70 1dx4 n TRP 231 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 1dx4 s MET 232 N -3.91 2.76 -0.01 5.87 -1.94 -1.26 -0.72 119.30 120.10 1dx4 s MET 232 Ca 0.48 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.86 1dx4 s MET 232 Cb 0.35 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1dx4 s MET 232 CO -0.25 0.64 -0.02 0.95 -0.01 0.00 0.00 175.02 176.32 1dx4 s THR 233 N -1.00 0.18 0.00 2.05 -4.23 -0.44 -4.44 115.64 107.77 1dx4 s THR 233 Ca 0.17 -0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1dx4 s THR 233 Cb -0.11 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 1dx4 s THR 233 CO 0.07 0.07 0.24 -0.76 -0.54 0.00 0.00 174.62 173.70 1dx4 s LEU 234 N 0.14 4.37 -0.04 4.79 1.43 -0.36 -1.75 118.68 127.25 1dx4 s LEU 234 Ca -0.01 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1dx4 s LEU 234 Cb -0.03 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1dx4 s LEU 234 CO -0.00 0.25 0.32 0.72 0.23 0.00 0.00 176.35 177.87 1dx4 s PHE 235 N -1.31 -0.23 0.14 0.29 -0.71 -0.52 -0.01 117.98 115.62 1dx4 s PHE 235 Ca 0.28 0.42 -0.25 0.00 -1.04 0.00 0.00 56.93 56.34 1dx4 s PHE 235 Cb -0.13 0.11 0.07 0.00 -1.21 0.00 0.00 43.02 41.86 1dx4 s PHE 235 CO 0.17 -0.35 1.03 0.20 -1.34 0.00 0.00 175.22 174.93 1dx4 s GLY 236 N -0.99 -0.19 0.04 1.99 0.00 -0.84 -1.55 107.32 105.78 1dx4 s GLY 236 Ca -0.11 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1dx4 s GLY 236 CO 0.03 0.51 -0.11 1.85 0.00 0.00 0.00 173.10 175.38 1dx4 s GLU 237 N -2.94 0.72 4.66 2.90 -6.30 -1.25 -1.17 118.70 115.32 1dx4 s GLU 237 Ca 0.14 -0.71 0.00 0.00 -2.50 0.00 0.00 54.97 51.91 1dx4 s GLU 237 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 34.13 33.48 1dx4 s GLU 237 CO 0.02 0.15 0.00 0.45 0.02 0.00 0.00 175.26 175.90 1dx4 n SER 238 N 1.81 0.00 0.00 -1.70 2.88 0.14 -1.20 113.62 115.56 1dx4 n SER 238 Ca -0.19 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.52 1dx4 n SER 238 Cb 0.55 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.65 1dx4 n SER 238 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dx4 h ALA 239 N -0.56 2.35 -0.20 -1.46 0.00 -1.87 0.61 119.26 118.14 1dx4 h ALA 239 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1dx4 h ALA 239 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dx4 h ALA 239 CO 0.00 -0.49 -0.11 0.78 0.00 0.00 0.00 179.25 179.43 1dx4 h GLY 240 N 0.09 0.34 0.47 0.00 0.00 -1.09 0.11 103.07 102.99 1dx4 h GLY 240 Ca 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1dx4 h GLY 240 CO -0.02 0.20 -0.12 0.23 0.00 0.00 0.00 176.54 176.82 1dx4 h SER 241 N 0.30 0.15 -0.91 0.19 0.87 0.42 -2.14 113.55 112.43 1dx4 h SER 241 Ca 0.06 -0.65 0.13 0.00 -1.23 0.00 0.00 61.79 60.10 1dx4 h SER 241 Cb 0.39 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 1dx4 h SER 241 CO 0.02 0.78 0.58 0.28 -0.53 0.00 0.00 176.83 177.96 1dx4 h SER 242 N -0.47 0.72 -0.36 6.23 0.02 -0.69 -0.90 113.55 118.11 1dx4 h SER 242 Ca -0.01 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1dx4 h SER 242 Cb 0.77 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1dx4 h SER 242 CO 0.02 0.38 0.15 0.28 -1.14 0.00 0.00 176.83 176.53 1dx4 h SER 243 N 0.77 0.48 -0.93 3.07 0.02 -0.67 0.14 113.55 116.44 1dx4 h SER 243 Ca 0.45 -0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.35 1dx4 h SER 243 Cb 0.62 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.96 1dx4 h SER 243 CO -0.21 0.51 0.57 0.58 -1.14 0.00 0.00 176.83 177.13 1dx4 h VAL 244 N 0.43 0.92 0.10 2.27 2.07 -0.52 0.51 116.25 122.03 1dx4 h VAL 244 Ca 0.12 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1dx4 h VAL 244 Cb 0.17 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1dx4 h VAL 244 CO -0.01 0.17 -0.05 -1.13 0.02 0.00 0.00 177.57 176.57 1dx4 h ASN 245 N 0.92 -0.11 -0.62 0.57 -0.00 -0.25 -1.39 115.58 114.70 1dx4 h ASN 245 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.76 1dx4 h ASN 245 Cb 0.42 0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 38.74 1dx4 h ASN 245 CO -0.25 -0.08 0.40 0.00 -0.00 0.00 0.00 177.43 177.50 1dx4 h ALA 246 N 0.77 0.79 -0.02 1.57 0.00 0.13 -1.89 119.26 120.60 1dx4 h ALA 246 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1dx4 h ALA 246 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1dx4 h ALA 246 CO 0.02 0.23 -0.40 1.96 0.00 0.00 0.00 179.25 181.07 1dx4 h GLN 247 N 0.84 0.04 0.03 0.00 1.08 0.11 0.24 115.11 117.46 1dx4 h GLN 247 Ca 0.23 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 57.18 1dx4 h GLN 247 Cb -0.08 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1dx4 h GLN 247 CO -0.05 0.44 -1.00 -0.07 -0.95 0.00 0.00 178.83 177.21 1dx4 h LEU 248 N 0.04 0.35 0.00 1.46 3.38 -0.90 -3.36 115.31 116.27 1dx4 h LEU 248 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1dx4 h LEU 248 Cb 0.72 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1dx4 h LEU 248 CO 0.05 1.15 -1.58 0.23 0.09 0.00 0.00 178.44 178.38 1dx4 n MET 249 N -3.63 0.39 -1.66 1.13 2.81 -0.74 -4.49 117.12 110.94 1dx4 n MET 249 Ca -0.05 -0.12 -0.39 0.00 -1.81 0.00 0.00 57.70 55.33 1dx4 n MET 249 Cb 0.88 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.91 1dx4 n MET 249 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1dx4 n SER 250 N -1.95 1.52 0.14 7.83 2.88 0.84 -4.71 113.62 120.17 1dx4 n SER 250 Ca -0.01 0.91 -0.13 0.00 -1.33 0.00 0.00 58.87 58.31 1dx4 n SER 250 Cb 0.47 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 62.41 1dx4 n SER 250 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1dx4 h PRO 251 N 1.03 -0.33 -1.38 -1.46 0.11 -1.84 0.66 132.00 128.79 1dx4 h PRO 251 Ca -0.48 0.02 0.40 0.00 0.11 0.00 0.00 66.00 66.05 1dx4 h PRO 251 Cb 1.34 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.47 1dx4 h PRO 251 CO 0.54 -0.04 0.99 0.28 -0.21 0.00 0.00 178.00 179.57 1dx4 h VAL 252 N -0.63 0.31 0.00 3.15 2.07 -1.85 -2.95 116.25 116.35 1dx4 h VAL 252 Ca -0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1dx4 h VAL 252 Cb 0.45 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1dx4 h VAL 252 CO 0.06 0.00 -0.88 0.35 0.02 0.00 0.00 177.57 177.11 1dx4 n THR 253 N -4.12 0.00 -1.14 2.57 -2.24 -1.18 -5.06 114.28 103.11 1dx4 n THR 253 Ca 0.30 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.64 1dx4 n THR 253 Cb 1.43 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1dx4 n THR 253 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1dx4 n ARG 254 N -1.49 0.00 0.00 -0.78 0.63 0.23 -2.27 116.66 112.98 1dx4 n ARG 254 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1dx4 n ARG 254 Cb 0.15 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1dx4 n ARG 254 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1dx4 n GLY 255 N 2.26 3.19 0.33 5.14 0.00 -1.26 -4.96 105.19 109.89 1dx4 n GLY 255 Ca 0.19 -0.89 0.17 0.00 0.00 0.00 0.00 46.02 45.49 1dx4 n GLY 255 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dx4 h LEU 256 N 0.00 -0.22 -7.76 0.99 4.07 -1.83 -3.40 115.31 107.16 1dx4 h LEU 256 Ca 0.00 0.26 -0.29 0.00 0.08 0.00 0.00 57.88 57.93 1dx4 h LEU 256 Cb 0.00 0.39 -0.29 0.00 1.08 0.00 0.00 40.66 41.84 1dx4 h LEU 256 CO 0.00 -0.32 -0.74 -0.69 -1.08 0.00 0.00 178.44 175.61 1dx4 s VAL 257 N -5.90 0.17 -0.07 1.22 1.01 -1.26 -4.95 120.40 110.62 1dx4 s VAL 257 Ca -0.12 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 61.90 1dx4 s VAL 257 Cb 0.29 -0.18 0.15 0.00 0.00 0.00 0.00 36.38 36.64 1dx4 s VAL 257 CO 0.78 0.07 1.07 0.29 0.00 0.00 0.00 175.10 177.30 1dx4 n LYS 258 N 3.27 0.70 -3.76 2.72 5.02 -1.26 -4.77 118.16 120.07 1dx4 n LYS 258 Ca -0.16 -1.80 -0.21 0.00 -2.02 0.00 0.00 58.31 54.13 1dx4 n LYS 258 Cb 0.57 -1.01 -0.18 0.00 -0.02 0.00 0.00 35.03 34.39 1dx4 n LYS 258 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1dx4 s ARG 259 N -1.47 0.34 0.02 1.97 3.52 -1.26 -0.82 118.95 121.25 1dx4 s ARG 259 Ca 0.16 0.19 -0.20 0.00 -0.13 0.00 0.00 55.73 55.76 1dx4 s ARG 259 Cb 0.14 -0.75 0.04 0.00 -1.56 0.00 0.00 34.95 32.82 1dx4 s ARG 259 CO 0.02 -0.29 0.45 0.20 -0.81 0.00 0.00 175.30 174.86 1dx4 s GLY 260 N 1.90 -0.32 -0.22 8.12 0.00 -0.28 -1.23 107.32 115.30 1dx4 s GLY 260 Ca 0.03 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.25 1dx4 s GLY 260 CO -0.04 0.24 -0.12 -0.29 0.00 0.00 0.00 173.10 172.89 1dx4 s MET 261 N -2.04 2.91 -0.34 2.90 0.00 0.99 -0.90 119.30 122.82 1dx4 s MET 261 Ca -0.08 -0.91 -0.06 0.00 0.00 0.00 0.00 55.69 54.65 1dx4 s MET 261 Cb -0.02 -2.82 0.05 0.00 0.00 0.00 0.00 34.83 32.04 1dx4 s MET 261 CO 0.01 -0.32 0.10 -1.64 0.00 0.00 0.00 175.02 173.18 1dx4 s MET 262 N 1.31 2.55 -0.37 4.11 -1.94 0.32 -1.99 119.30 123.30 1dx4 s MET 262 Ca 0.02 -1.25 -0.17 0.00 -1.71 0.00 0.00 55.69 52.58 1dx4 s MET 262 Cb -0.15 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.24 1dx4 s MET 262 CO -0.08 -0.70 0.43 -0.65 -0.01 0.00 0.00 175.02 174.01 1dx4 s GLN 263 N 1.36 3.45 -1.36 2.03 -0.21 -0.31 -2.79 119.66 121.83 1dx4 s GLN 263 Ca -0.01 -0.44 -0.13 0.00 0.02 0.00 0.00 55.36 54.80 1dx4 s GLN 263 Cb -0.20 -3.85 0.01 0.00 1.00 0.00 0.00 33.01 29.97 1dx4 s GLN 263 CO 0.02 -0.66 0.40 0.43 -2.12 0.00 0.00 175.29 173.36 1dx4 n SER 264 N 5.56 -1.65 -3.20 5.90 7.64 -0.33 -0.68 113.62 126.85 1dx4 n SER 264 Ca -0.07 -1.19 0.04 0.00 1.01 0.00 0.00 58.87 58.66 1dx4 n SER 264 Cb 0.49 -2.20 -0.02 0.00 -1.01 0.00 0.00 64.21 61.47 1dx4 n SER 264 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1dx4 s GLY 265 N -4.01 -0.25 -0.00 0.23 0.00 -1.26 -3.25 107.32 98.77 1dx4 s GLY 265 Ca 0.21 2.92 0.01 0.00 0.00 0.00 0.00 44.72 47.86 1dx4 s GLY 265 CO 0.95 3.64 -0.03 -0.51 0.00 0.00 0.00 173.10 177.15 1dx4 s THR 266 N 2.75 0.25 0.44 0.90 -4.23 -1.26 -3.10 115.64 111.39 1dx4 s THR 266 Ca -0.01 -0.16 0.22 0.00 -1.18 0.00 0.00 61.69 60.57 1dx4 s THR 266 Cb -0.08 -0.22 0.42 0.00 1.34 0.00 0.00 72.50 73.96 1dx4 s THR 266 CO -0.13 0.06 1.81 0.24 -0.54 0.00 0.00 174.62 176.06 1dx4 h MET 267 N 6.03 0.29 0.00 3.99 2.86 -1.89 0.18 114.93 126.39 1dx4 h MET 267 Ca -0.26 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1dx4 h MET 267 Cb 1.20 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1dx4 h MET 267 CO 0.50 0.19 0.00 -2.95 1.06 0.00 0.00 176.91 175.71 1dx4 h ASN 268 N 0.30 0.00 -3.52 1.22 -1.07 -1.91 -3.37 115.58 107.22 1dx4 h ASN 268 Ca 0.54 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 56.34 1dx4 h ASN 268 Cb 1.56 0.00 0.13 0.00 -2.07 0.00 0.00 38.32 37.94 1dx4 h ASN 268 CO -0.19 0.00 0.42 0.00 0.07 0.00 0.00 177.43 177.73 1dx4 n ALA 269 N -1.98 1.05 -0.35 4.14 0.00 0.05 -4.89 120.51 118.53 1dx4 n ALA 269 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1dx4 n ALA 269 Cb 0.23 -2.23 0.25 0.00 0.00 0.00 0.00 19.45 17.70 1dx4 n ALA 269 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1dx4 h PRO 270 N 1.79 0.96 0.00 0.00 0.13 -1.86 -2.17 132.00 130.85 1dx4 h PRO 270 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1dx4 h PRO 270 Cb 1.31 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1dx4 h PRO 270 CO 0.58 0.63 0.00 -2.67 -0.23 0.00 0.00 178.00 176.32 1dx4 n TRP 271 N -4.60 0.00 1.06 1.56 4.27 -1.26 -3.97 117.44 114.51 1dx4 n TRP 271 Ca 0.18 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.92 1dx4 n TRP 271 Cb 0.35 -0.30 0.15 0.00 -1.36 0.00 0.00 31.31 30.15 1dx4 n TRP 271 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1dx4 n SER 272 N -1.30 2.77 -3.99 -0.67 2.88 -0.81 -4.84 113.62 107.66 1dx4 n SER 272 Ca 0.14 -1.92 -0.09 0.00 -1.33 0.00 0.00 58.87 55.67 1dx4 n SER 272 Cb 0.25 0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 1dx4 n SER 272 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1dx4 s HIS 273 N -2.02 0.46 -0.26 0.66 -3.43 -1.25 -3.61 115.29 105.85 1dx4 s HIS 273 Ca 0.29 -0.85 -0.24 0.00 -0.80 0.00 0.00 55.06 53.46 1dx4 s HIS 273 Cb 0.20 -0.17 0.07 0.00 -1.43 0.00 0.00 32.58 31.25 1dx4 s HIS 273 CO 0.31 -0.63 0.69 1.41 -2.00 0.00 0.00 174.74 174.52 1dx4 s MET 274 N -3.96 0.81 0.98 -0.38 1.75 -0.61 -4.87 119.30 113.00 1dx4 s MET 274 Ca 0.16 0.95 -0.11 0.00 -1.25 0.00 0.00 55.69 55.44 1dx4 s MET 274 Cb 0.05 0.39 0.18 0.00 2.84 0.00 0.00 34.83 38.29 1dx4 s MET 274 CO -0.02 -0.10 1.09 0.95 -0.65 0.00 0.00 175.02 176.29 1dx4 s THR 275 N 0.36 2.31 0.14 10.11 -4.23 -1.26 -1.84 115.64 121.23 1dx4 s THR 275 Ca -0.00 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.50 1dx4 s THR 275 Cb -0.05 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 1dx4 s THR 275 CO 0.01 -0.13 1.51 -1.28 -0.54 0.00 0.00 174.62 174.19 1dx4 h SER 276 N -1.96 0.97 0.39 3.99 0.87 -1.95 -2.86 113.55 112.99 1dx4 h SER 276 Ca -0.51 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 59.63 1dx4 h SER 276 Cb 1.29 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1dx4 h SER 276 CO 0.49 1.18 -0.37 -0.33 -0.53 0.00 0.00 176.83 177.27 1dx4 h GLU 277 N 0.76 -0.74 -0.81 2.24 3.07 -1.92 -0.83 114.58 116.36 1dx4 h GLU 277 Ca 0.09 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1dx4 h GLU 277 Cb 0.83 0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.86 1dx4 h GLU 277 CO 0.07 -0.50 0.53 -0.22 -1.40 0.00 0.00 179.01 177.49 1dx4 h LYS 278 N -0.77 0.79 -0.42 2.33 1.63 -1.94 -1.52 116.57 116.67 1dx4 h LYS 278 Ca -0.03 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.60 1dx4 h LYS 278 Cb 0.69 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1dx4 h LYS 278 CO -0.05 0.52 -0.22 0.00 -3.45 0.00 0.00 179.45 176.25 1dx4 h ALA 279 N 1.58 0.81 -0.60 5.00 0.00 -1.21 -0.70 119.26 124.14 1dx4 h ALA 279 Ca 0.36 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1dx4 h ALA 279 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1dx4 h ALA 279 CO -0.14 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.02 1dx4 h VAL 280 N 0.74 1.27 0.85 0.00 2.07 -0.33 0.34 116.25 121.18 1dx4 h VAL 280 Ca 0.10 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1dx4 h VAL 280 Cb 0.76 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1dx4 h VAL 280 CO 0.06 0.43 -0.41 -0.33 0.02 0.00 0.00 177.57 177.34 1dx4 h GLU 281 N 0.98 -1.09 -0.94 1.57 5.08 -1.10 0.45 114.58 119.53 1dx4 h GLU 281 Ca 0.17 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.71 1dx4 h GLU 281 Cb 0.58 0.25 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 1dx4 h GLU 281 CO 0.03 -0.73 0.60 0.82 -1.00 0.00 0.00 179.01 178.74 1dx4 h ILE 282 N -1.14 0.96 0.06 3.13 2.04 -1.05 -1.67 117.51 119.85 1dx4 h ILE 282 Ca -0.12 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1dx4 h ILE 282 Cb 0.87 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1dx4 h ILE 282 CO 0.19 0.17 -0.03 1.23 0.00 0.00 0.00 178.15 179.71 1dx4 h GLY 283 N 0.94 -0.09 0.81 5.37 0.00 0.06 -2.38 103.07 107.79 1dx4 h GLY 283 Ca 0.44 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.84 1dx4 h GLY 283 CO -0.20 -0.03 0.42 0.50 0.00 0.00 0.00 176.54 177.23 1dx4 h LYS 284 N -0.11 0.79 -0.10 4.80 1.57 -0.26 -1.91 116.57 121.35 1dx4 h LYS 284 Ca -0.01 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1dx4 h LYS 284 Cb 0.09 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1dx4 h LYS 284 CO 0.01 0.52 -0.24 0.00 -0.57 0.00 0.00 179.45 179.18 1dx4 h ALA 285 N 1.32 -0.24 -0.76 3.86 0.00 -1.16 -0.21 119.26 122.08 1dx4 h ALA 285 Ca 0.29 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.37 1dx4 h ALA 285 Cb 0.07 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1dx4 h ALA 285 CO -0.13 -0.71 0.30 1.25 0.00 0.00 0.00 179.25 179.97 1dx4 h LEU 286 N -0.32 0.29 0.15 0.00 5.85 -0.92 0.24 115.31 120.60 1dx4 h LEU 286 Ca 0.09 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1dx4 h LEU 286 Cb 0.45 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1dx4 h LEU 286 CO -0.28 0.11 -0.32 0.40 -0.34 0.00 0.00 178.44 178.00 1dx4 h ILE 287 N 0.45 0.00 -0.80 4.05 1.08 -0.33 -1.56 117.51 120.40 1dx4 h ILE 287 Ca 0.41 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.95 1dx4 h ILE 287 Cb 0.63 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.32 1dx4 h ILE 287 CO -0.40 0.00 0.48 0.78 -0.69 0.00 0.00 178.15 178.32 1dx4 h ASN 288 N -0.52 0.75 0.00 1.72 2.35 -0.56 0.01 115.58 119.34 1dx4 h ASN 288 Ca -0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dx4 h ASN 288 Cb 0.49 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1dx4 h ASN 288 CO -0.13 0.48 0.05 0.44 -1.65 0.00 0.00 177.43 176.61 1dx4 h ASP 289 N 0.88 0.00 -0.24 5.81 5.19 -0.17 -1.84 116.42 126.06 1dx4 h ASP 289 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1dx4 h ASP 289 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1dx4 h ASP 289 CO -0.17 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.95 1dx4 n ASN 291 N 1.23 0.00 -4.75 0.00 3.02 -0.69 -4.96 115.26 109.11 1dx4 n ASN 291 Ca 0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 1dx4 n ASN 291 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1dx4 n ASN 291 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dx4 s ASN 293 N 0.34 6.36 0.64 0.00 0.01 -1.26 -2.86 114.94 118.18 1dx4 s ASN 293 Ca 0.60 -0.29 0.29 0.00 -0.71 0.00 0.00 52.86 52.75 1dx4 s ASN 293 Cb -0.44 -2.44 1.54 0.00 0.41 0.00 0.00 41.25 40.32 1dx4 s ASN 293 CO 0.47 -1.20 1.89 0.00 -1.51 0.00 0.00 177.10 176.75 1dx4 h ALA 294 N 9.28 1.62 0.00 0.60 0.00 -1.86 -1.10 119.26 127.80 1dx4 h ALA 294 Ca -0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1dx4 h ALA 294 Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1dx4 h ALA 294 CO 1.08 -0.47 -0.18 0.66 0.00 0.00 0.00 179.25 180.34 1dx4 h SER 295 N 0.00 0.00 0.10 0.00 4.64 -1.95 -2.46 113.55 113.88 1dx4 h SER 295 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1dx4 h SER 295 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1dx4 h SER 295 CO -0.00 0.18 0.00 0.23 -0.87 0.00 0.00 176.83 176.37 1dx4 n MET 296 N -4.07 0.89 -0.29 4.77 2.81 -0.42 -4.12 117.12 116.69 1dx4 n MET 296 Ca -0.02 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.96 1dx4 n MET 296 Cb 0.26 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.52 1dx4 n MET 296 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dx4 h LEU 297 N 0.00 0.38 -0.03 4.03 3.38 -1.61 0.52 115.31 121.98 1dx4 h LEU 297 Ca 0.00 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1dx4 h LEU 297 Cb 0.05 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1dx4 h LEU 297 CO 0.00 0.10 -0.29 0.11 0.09 0.00 0.00 178.44 178.44 1dx4 h LYS 298 N 0.48 0.26 0.38 1.13 1.79 -1.72 -3.10 116.57 115.80 1dx4 h LYS 298 Ca 0.50 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.72 1dx4 h LYS 298 Cb 0.83 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1dx4 h LYS 298 CO -0.45 0.91 -0.18 1.79 -1.08 0.00 0.00 179.45 180.44 1dx4 h THR 299 N -0.31 0.00 -2.71 -0.16 1.35 -1.75 -3.41 112.91 105.91 1dx4 h THR 299 Ca -0.03 -0.51 -0.63 0.00 -0.55 0.00 0.00 66.41 64.69 1dx4 h THR 299 Cb 0.98 0.00 -0.41 0.00 -1.73 0.00 0.00 68.15 67.00 1dx4 h THR 299 CO 0.06 0.00 -0.45 0.59 -0.25 0.00 0.00 175.52 175.47 1dx4 n ASN 300 N -4.79 3.67 0.21 5.36 3.02 0.15 -4.95 115.26 117.93 1dx4 n ASN 300 Ca -0.06 -3.32 -0.16 0.00 -0.03 0.00 0.00 54.58 51.01 1dx4 n ASN 300 Cb 0.20 -0.78 -0.09 0.00 -0.61 0.00 0.00 39.78 38.50 1dx4 n ASN 300 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1dx4 h PRO 301 N 4.93 -0.81 -1.37 3.52 0.11 -1.62 -2.60 132.00 134.16 1dx4 h PRO 301 Ca 0.18 0.06 0.41 0.00 0.11 0.00 0.00 66.00 66.75 1dx4 h PRO 301 Cb 0.71 0.18 -0.09 0.00 0.11 0.00 0.00 31.00 31.91 1dx4 h PRO 301 CO 0.82 -0.54 0.94 0.00 -0.21 0.00 0.00 178.00 179.01 1dx4 h ALA 302 N -0.89 2.99 0.02 -0.75 0.00 -1.92 -2.33 119.26 116.37 1dx4 h ALA 302 Ca -0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dx4 h ALA 302 Cb 0.75 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1dx4 h ALA 302 CO -0.12 -1.49 -0.01 1.25 0.00 0.00 0.00 179.25 178.89 1dx4 h HIS 303 N 0.10 -0.02 -0.32 0.00 6.17 -1.85 -1.84 115.15 117.39 1dx4 h HIS 303 Ca 0.74 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.74 1dx4 h HIS 303 Cb 2.55 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 32.47 1dx4 h HIS 303 CO -0.00 0.55 -0.13 -0.39 0.71 0.00 0.00 177.93 178.66 1dx4 h VAL 304 N -0.61 1.24 -0.58 5.26 -1.51 -1.42 -1.38 116.25 117.26 1dx4 h VAL 304 Ca -0.00 -1.08 -0.08 0.00 -1.23 0.00 0.00 66.70 64.31 1dx4 h VAL 304 Cb 0.58 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 1dx4 h VAL 304 CO 0.00 0.36 0.06 0.24 -1.23 0.00 0.00 177.57 177.00 1dx4 h MET 305 N 0.52 0.98 -0.10 5.19 2.86 -1.53 0.16 114.93 123.00 1dx4 h MET 305 Ca 0.09 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1dx4 h MET 305 Cb 0.53 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1dx4 h MET 305 CO 0.03 0.95 -0.02 1.03 1.06 0.00 0.00 176.91 179.96 1dx4 h SER 306 N 0.87 0.13 -0.04 1.22 0.87 -0.78 -0.05 113.55 115.76 1dx4 h SER 306 Ca 0.17 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1dx4 h SER 306 Cb 0.47 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1dx4 h SER 306 CO 0.02 0.18 -0.09 0.00 -0.53 0.00 0.00 176.83 176.41 1dx4 h MET 308 N -0.38 0.23 -0.15 0.00 2.86 -0.07 0.16 114.93 117.59 1dx4 h MET 308 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1dx4 h MET 308 Cb 0.67 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1dx4 h MET 308 CO 0.02 0.20 0.00 0.54 1.06 0.00 0.00 176.91 178.73 1dx4 n ARG 309 N -4.46 1.43 -0.06 1.72 1.74 -0.09 -3.70 116.66 113.23 1dx4 n ARG 309 Ca -0.00 -0.66 -0.07 0.00 -0.77 0.00 0.00 57.85 56.34 1dx4 n ARG 309 Cb 0.12 -1.24 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 1dx4 n ARG 309 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1dx4 n SER 310 N -0.04 2.10 -4.76 0.55 7.64 0.53 -4.84 113.62 114.80 1dx4 n SER 310 Ca 0.11 -0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.61 1dx4 n SER 310 Cb 0.19 0.60 0.02 0.00 -1.01 0.00 0.00 64.21 64.01 1dx4 n SER 310 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dx4 s VAL 311 N -2.30 2.78 0.37 0.44 0.11 -0.96 -4.95 120.40 115.89 1dx4 s VAL 311 Ca -0.09 0.52 -0.28 0.00 -2.93 0.00 0.00 61.98 59.20 1dx4 s VAL 311 Cb 0.04 -3.22 -0.10 0.00 -1.53 0.00 0.00 36.38 31.57 1dx4 s VAL 311 CO 0.48 -0.08 1.36 -1.81 -3.33 0.00 0.00 175.10 171.72 1dx4 s ASP 312 N -1.53 6.47 0.29 3.54 1.11 -1.26 -4.91 116.67 120.39 1dx4 s ASP 312 Ca 0.73 2.79 0.05 0.00 0.18 0.00 0.00 52.55 56.30 1dx4 s ASP 312 Cb -0.30 -2.65 0.74 0.00 1.07 0.00 0.00 42.92 41.79 1dx4 s ASP 312 CO 0.33 -0.75 1.71 0.00 1.18 0.00 0.00 175.17 177.64 1dx4 h ALA 313 N 3.02 1.51 -0.44 5.23 0.00 -1.97 0.19 119.26 126.80 1dx4 h ALA 313 Ca -0.50 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1dx4 h ALA 313 Cb 1.24 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1dx4 h ALA 313 CO 0.64 -0.29 0.30 -0.22 0.00 0.00 0.00 179.25 179.68 1dx4 h LYS 314 N 0.48 0.50 -0.02 0.00 3.11 -1.98 0.27 116.57 118.93 1dx4 h LYS 314 Ca 0.57 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.38 1dx4 h LYS 314 Cb 1.05 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1dx4 h LYS 314 CO -0.49 0.33 0.00 1.15 -2.81 0.00 0.00 179.45 177.63 1dx4 h THR 315 N 0.51 1.21 -0.36 1.00 2.02 -0.98 -1.89 112.91 114.42 1dx4 h THR 315 Ca 0.18 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1dx4 h THR 315 Cb 0.07 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1dx4 h THR 315 CO -0.04 0.17 0.18 0.40 0.37 0.00 0.00 175.52 176.60 1dx4 h ILE 316 N -0.22 1.15 -0.89 3.11 2.04 -1.25 0.52 117.51 121.98 1dx4 h ILE 316 Ca 0.01 -0.42 0.20 0.00 1.00 0.00 0.00 64.86 65.65 1dx4 h ILE 316 Cb 0.27 0.78 -0.12 0.00 -0.74 0.00 0.00 36.82 37.00 1dx4 h ILE 316 CO 0.00 0.16 0.41 -1.28 0.00 0.00 0.00 178.15 177.44 1dx4 h SER 317 N 0.45 0.39 0.00 1.72 0.87 -0.31 -1.92 113.55 114.75 1dx4 h SER 317 Ca 0.13 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1dx4 h SER 317 Cb 0.09 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1dx4 h SER 317 CO -0.02 0.05 -0.39 0.58 -0.53 0.00 0.00 176.83 176.53 1dx4 h VAL 318 N 0.46 0.60 -0.19 2.23 2.07 -0.93 -3.38 116.25 117.10 1dx4 h VAL 318 Ca 0.54 -1.55 0.06 0.00 0.82 0.00 0.00 66.70 66.57 1dx4 h VAL 318 Cb 0.98 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1dx4 h VAL 318 CO -0.49 0.20 0.30 1.56 0.02 0.00 0.00 177.57 179.17 1dx4 h GLN 319 N -1.00 0.00 -0.23 1.57 1.08 -0.84 -1.23 115.11 114.46 1dx4 h GLN 319 Ca -0.07 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1dx4 h GLN 319 Cb 0.63 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1dx4 h GLN 319 CO -0.04 0.00 -0.15 -0.56 -0.95 0.00 0.00 178.83 177.13 1dx4 h GLN 320 N 0.00 0.39 0.00 1.46 3.07 -1.53 -2.78 115.11 115.73 1dx4 h GLN 320 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1dx4 h GLN 320 Cb 0.70 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.21 1dx4 h GLN 320 CO -0.00 0.54 0.00 -1.49 0.09 0.00 0.00 178.83 177.97 1dx4 h TRP 321 N 0.36 0.00 -0.11 0.06 4.06 -1.43 -2.72 115.95 116.17 1dx4 h TRP 321 Ca 0.07 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.05 1dx4 h TRP 321 Cb 0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1dx4 h TRP 321 CO 0.01 0.00 0.09 -0.91 -3.56 0.00 0.00 178.44 174.07 1dx4 h ASN 322 N 0.00 0.00 0.00 -3.49 2.35 -1.65 -0.50 115.58 112.30 1dx4 h ASN 322 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dx4 h ASN 322 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1dx4 h ASN 322 CO 0.00 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.58 1dx4 n SER 323 N -4.38 0.33 -4.47 5.81 7.64 -1.03 -4.67 113.62 112.85 1dx4 n SER 323 Ca -0.00 -1.90 -0.43 0.00 1.01 0.00 0.00 58.87 57.54 1dx4 n SER 323 Cb 0.20 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 1dx4 n SER 323 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1dx4 s TYR 324 N -1.66 2.83 0.00 1.43 5.04 -0.20 -4.45 117.35 120.35 1dx4 s TYR 324 Ca 0.00 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 1dx4 s TYR 324 Cb 0.00 -4.37 0.00 0.00 0.35 0.00 0.00 41.96 37.94 1dx4 s TYR 324 CO 0.00 -1.64 0.05 -1.13 -1.34 0.00 0.00 175.55 171.48 1dx4 n SER 325 N 7.46 0.00 -3.73 4.32 3.41 -1.26 -5.02 113.62 118.79 1dx4 n SER 325 Ca 0.14 0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1dx4 n SER 325 Cb 0.48 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1dx4 n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dx4 n GLY 326 N 2.26 2.08 3.73 5.00 0.00 -1.26 -5.07 105.19 111.93 1dx4 n GLY 326 Ca 0.00 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1dx4 n GLY 326 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dx4 s ILE 327 N -1.20 3.51 -1.36 -0.61 2.07 -1.26 -3.42 121.20 118.93 1dx4 s ILE 327 Ca 0.33 1.23 -0.08 0.00 -1.41 0.00 0.00 60.65 60.72 1dx4 s ILE 327 Cb -0.03 -3.78 0.01 0.00 0.13 0.00 0.00 42.46 38.79 1dx4 s ILE 327 CO 0.21 0.17 1.15 0.18 -1.91 0.00 0.00 174.94 174.75 1dx4 n LEU 328 N 2.80 -3.41 -3.28 8.50 4.77 -1.26 -4.97 117.00 120.15 1dx4 n LEU 328 Ca 0.06 -0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 55.24 1dx4 n LEU 328 Cb 0.44 -3.01 -0.08 0.00 -2.33 0.00 0.00 43.42 38.44 1dx4 n LEU 328 CO 0.56 0.62 -0.24 -0.55 -1.33 0.00 0.00 177.39 176.45 1dx4 s SER 329 N -3.43 0.89 0.49 -1.43 0.15 -1.22 -4.37 113.70 104.78 1dx4 s SER 329 Ca 0.53 -2.81 -0.14 0.00 0.70 0.00 0.00 55.95 54.23 1dx4 s SER 329 Cb -0.24 -0.00 -0.07 0.00 -1.71 0.00 0.00 66.02 64.00 1dx4 s SER 329 CO 0.74 -0.15 0.92 -0.36 1.20 0.00 0.00 173.24 175.59 1dx4 s PHE 330 N 0.23 3.47 0.27 3.44 0.40 -1.26 -4.16 117.98 120.36 1dx4 s PHE 330 Ca 0.32 1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 57.95 1dx4 s PHE 330 Cb 0.03 -2.67 0.45 0.00 0.51 0.00 0.00 43.02 41.34 1dx4 s PHE 330 CO -0.17 -0.31 1.85 -1.00 0.70 0.00 0.00 175.22 176.29 1dx4 h PRO 331 N 0.93 1.01 -6.27 0.24 0.13 -1.89 -3.43 132.00 122.73 1dx4 h PRO 331 Ca -0.47 -0.06 -0.65 0.00 -0.87 0.00 0.00 66.00 63.95 1dx4 h PRO 331 Cb 1.19 -0.23 -0.11 0.00 0.13 0.00 0.00 31.00 31.97 1dx4 h PRO 331 CO 0.62 0.67 -0.64 -1.12 -0.23 0.00 0.00 178.00 177.30 1dx4 s SER 332 N -5.77 5.18 -0.17 1.44 0.01 -1.26 -4.98 113.70 108.15 1dx4 s SER 332 Ca -0.12 -0.10 -0.35 0.00 1.31 0.00 0.00 55.95 56.69 1dx4 s SER 332 Cb 0.21 -1.30 0.15 0.00 0.21 0.00 0.00 66.02 65.28 1dx4 s SER 332 CO 0.81 0.19 1.35 0.00 0.41 0.00 0.00 173.24 176.00 1dx4 s ALA 333 N -1.29 -2.28 -0.09 1.44 0.00 -1.26 -4.76 121.76 113.52 1dx4 s ALA 333 Ca 0.26 1.40 -0.35 0.00 0.00 0.00 0.00 51.96 53.27 1dx4 s ALA 333 Cb -0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 23.12 22.82 1dx4 s ALA 333 CO 0.18 -0.78 1.84 -2.30 0.00 0.00 0.00 175.76 174.70 1dx4 n PRO 334 N -0.24 2.05 -3.90 0.00 -0.02 -1.24 -4.73 135.00 126.92 1dx4 n PRO 334 Ca -0.02 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 1dx4 n PRO 334 Cb 0.60 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 1dx4 n PRO 334 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1dx4 s THR 335 N 3.74 5.18 -0.43 3.45 2.01 -1.26 -1.58 115.64 126.75 1dx4 s THR 335 Ca 0.92 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 62.74 1dx4 s THR 335 Cb -0.74 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1dx4 s THR 335 CO 0.52 0.51 1.74 -0.63 -0.69 0.00 0.00 174.62 176.07 1dx4 s ILE 336 N -0.13 3.52 -0.03 1.82 1.01 -0.77 -4.51 121.20 122.11 1dx4 s ILE 336 Ca 0.09 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.26 1dx4 s ILE 336 Cb -0.12 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.58 1dx4 s ILE 336 CO 0.01 -0.64 0.98 -0.90 0.00 0.00 0.00 174.94 174.39 1dx4 n ASP 337 N 10.76 1.79 -1.78 3.58 5.75 -1.01 -3.97 116.55 131.66 1dx4 n ASP 337 Ca 0.21 -2.15 -0.14 0.00 -0.01 0.00 0.00 54.79 52.70 1dx4 n ASP 337 Cb 0.49 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.43 1dx4 n ASP 337 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dx4 n GLY 338 N -0.65 0.63 0.00 6.12 0.00 -0.99 -4.71 105.19 105.59 1dx4 n GLY 338 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1dx4 n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dx4 n ALA 339 N -0.47 1.33 0.06 4.61 0.00 -1.26 -4.70 120.51 120.09 1dx4 n ALA 339 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1dx4 n ALA 339 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1dx4 n ALA 339 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1dx4 h PHE 340 N 0.00 1.01 -3.17 0.00 3.57 -1.91 -3.37 116.94 113.07 1dx4 h PHE 340 Ca 0.00 -0.58 -0.65 0.00 3.53 0.00 0.00 57.97 60.27 1dx4 h PHE 340 Cb 0.00 -0.10 -0.39 0.00 2.79 0.00 0.00 35.95 38.24 1dx4 h PHE 340 CO 0.00 1.42 -0.38 -0.51 -2.23 0.00 0.00 178.31 176.61 1dx4 s LEU 341 N -8.01 5.13 0.06 0.59 1.02 -1.26 -4.17 118.68 112.03 1dx4 s LEU 341 Ca -0.09 -3.83 -0.21 0.00 0.02 0.00 0.00 54.13 50.02 1dx4 s LEU 341 Cb 0.07 -1.75 -0.09 0.00 0.02 0.00 0.00 46.19 44.44 1dx4 s LEU 341 CO 0.92 -0.12 1.33 -0.65 0.02 0.00 0.00 176.35 177.85 1dx4 h PRO 342 N 5.62 -0.47 0.00 1.29 0.11 -1.84 -2.55 132.00 134.16 1dx4 h PRO 342 Ca 0.15 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1dx4 h PRO 342 Cb 0.77 0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1dx4 h PRO 342 CO 0.78 -0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 1dx4 n ALA 343 N -2.69 0.00 -2.13 -0.75 0.00 -1.26 -3.63 120.51 110.05 1dx4 n ALA 343 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1dx4 n ALA 343 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 1dx4 n ALA 343 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dx4 s ASP 344 N 0.43 7.38 0.00 0.00 -1.08 -1.26 -4.90 116.67 117.24 1dx4 s ASP 344 Ca 0.00 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 1dx4 s ASP 344 Cb 0.00 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1dx4 s ASP 344 CO 0.00 0.11 0.44 -2.65 0.52 0.00 0.00 175.17 173.58 1dx4 n PRO 345 N 2.13 0.00 -0.00 4.34 -0.02 -1.26 0.68 135.00 140.87 1dx4 n PRO 345 Ca -0.03 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1dx4 n PRO 345 Cb 0.49 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1dx4 n PRO 345 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1dx4 n MET 346 N -0.94 2.90 -0.49 -0.52 2.81 -1.26 -4.51 117.12 115.11 1dx4 n MET 346 Ca 0.00 -0.02 0.10 0.00 -1.81 0.00 0.00 57.70 55.97 1dx4 n MET 346 Cb 0.44 -0.92 0.33 0.00 -0.71 0.00 0.00 33.22 32.35 1dx4 n MET 346 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1dx4 n THR 347 N -1.38 1.48 -0.06 2.03 -2.24 0.22 -3.83 114.28 110.50 1dx4 n THR 347 Ca 0.00 -1.13 -0.06 0.00 -2.27 0.00 0.00 64.05 60.58 1dx4 n THR 347 Cb 0.10 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 1dx4 n THR 347 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dx4 n LEU 348 N 1.22 0.21 -0.07 3.22 4.32 -1.13 -4.51 117.00 120.25 1dx4 n LEU 348 Ca 0.24 -0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 56.08 1dx4 n LEU 348 Cb 0.76 0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 42.75 1dx4 n LEU 348 CO 0.20 0.34 0.50 -0.03 -1.22 0.00 0.00 177.39 177.18 1dx4 h MET 349 N 0.00 0.68 0.00 3.23 4.05 -1.79 -3.35 114.93 117.74 1dx4 h MET 349 Ca -0.33 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 58.68 1dx4 h MET 349 Cb 1.74 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.58 1dx4 h MET 349 CO 0.01 1.03 0.00 1.17 0.23 0.00 0.00 176.91 179.35 1dx4 n LYS 350 N -4.23 0.00 0.00 0.39 4.81 -1.25 -1.78 118.16 116.11 1dx4 n LYS 350 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1dx4 n LYS 350 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1dx4 n LYS 350 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1dx4 n THR 351 N -2.73 0.19 -3.46 3.15 -2.24 -1.26 -5.09 114.28 102.84 1dx4 n THR 351 Ca 0.00 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1dx4 n THR 351 Cb 0.00 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1dx4 n THR 351 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dx4 s ALA 352 N -0.19 3.62 -0.40 6.98 0.00 -0.73 -5.05 121.76 125.99 1dx4 s ALA 352 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1dx4 s ALA 352 Cb 0.00 -2.38 0.09 0.00 0.00 0.00 0.00 23.12 20.83 1dx4 s ALA 352 CO 0.00 0.53 0.19 0.34 0.00 0.00 0.00 175.76 176.83 1dx4 s ASP 353 N -2.20 5.33 -0.08 0.00 2.15 -1.26 -4.82 116.67 115.78 1dx4 s ASP 353 Ca 0.43 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.67 1dx4 s ASP 353 Cb -0.12 -1.86 0.08 0.00 -0.30 0.00 0.00 42.92 40.72 1dx4 s ASP 353 CO 0.21 -0.50 1.50 0.18 -0.17 0.00 0.00 175.17 176.39 1dx4 n LEU 354 N 4.71 4.44 -0.19 -1.34 4.77 0.51 -4.46 117.00 125.43 1dx4 n LEU 354 Ca -0.07 -2.17 0.13 0.00 -0.03 0.00 0.00 56.01 53.88 1dx4 n LEU 354 Cb 0.42 -0.78 0.46 0.00 -2.33 0.00 0.00 43.42 41.19 1dx4 n LEU 354 CO 0.34 0.79 1.21 0.50 -1.33 0.00 0.00 177.39 178.90 1dx4 h LYS 355 N 0.56 0.50 -0.21 3.23 3.64 -1.70 -1.53 116.57 121.06 1dx4 h LYS 355 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1dx4 h LYS 355 Cb 1.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1dx4 h LYS 355 CO 0.19 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.45 1dx4 n ASP 356 N -4.50 2.21 -4.86 4.20 8.00 -1.26 -4.76 116.55 115.57 1dx4 n ASP 356 Ca 0.14 -1.79 -0.37 0.00 0.71 0.00 0.00 54.79 53.48 1dx4 n ASP 356 Cb 0.48 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1dx4 n ASP 356 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1dx4 s TYR 357 N -1.74 3.64 -0.21 1.24 1.51 -0.62 -4.86 117.35 116.31 1dx4 s TYR 357 Ca 0.34 0.72 -0.00 0.00 -1.01 0.00 0.00 57.07 57.11 1dx4 s TYR 357 Cb 0.19 -2.08 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1dx4 s TYR 357 CO 0.28 0.67 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.76 1dx4 s ASP 358 N -1.20 3.80 -0.07 2.29 1.01 -0.00 -0.76 116.67 121.74 1dx4 s ASP 358 Ca 0.21 -0.75 0.05 0.00 0.71 0.00 0.00 52.55 52.77 1dx4 s ASP 358 Cb -0.14 -1.58 -0.00 0.00 1.01 0.00 0.00 42.92 42.20 1dx4 s ASP 358 CO 0.10 -0.06 -0.23 -0.63 0.21 0.00 0.00 175.17 174.56 1dx4 s ILE 359 N 1.31 1.95 -0.19 0.77 1.09 -0.11 -1.12 121.20 124.90 1dx4 s ILE 359 Ca 0.02 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 58.59 1dx4 s ILE 359 Cb -0.15 -1.67 0.02 0.00 -1.06 0.00 0.00 42.46 39.60 1dx4 s ILE 359 CO -0.08 0.54 -0.18 -0.22 -0.10 0.00 0.00 174.94 174.90 1dx4 s LEU 360 N 0.08 2.32 0.12 2.97 2.96 -0.08 -0.98 118.68 126.07 1dx4 s LEU 360 Ca -0.10 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.01 1dx4 s LEU 360 Cb -0.15 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1dx4 s LEU 360 CO 0.05 -0.02 0.22 0.00 -1.32 0.00 0.00 176.35 175.28 1dx4 s MET 361 N 1.28 0.98 0.00 1.98 0.23 -0.21 -0.52 119.30 123.04 1dx4 s MET 361 Ca 0.03 -1.08 0.00 0.00 -1.03 0.00 0.00 55.69 53.61 1dx4 s MET 361 Cb -0.14 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.51 1dx4 s MET 361 CO -0.12 -0.33 0.00 0.41 -2.03 0.00 0.00 175.02 172.95 1dx4 n GLY 362 N -0.13 0.74 3.32 3.16 0.00 -1.12 -1.47 105.19 109.69 1dx4 n GLY 362 Ca -0.11 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1dx4 n GLY 362 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dx4 s ASN 363 N -0.26 0.09 0.25 1.61 0.01 -1.09 -1.19 114.94 114.35 1dx4 s ASN 363 Ca 0.00 -1.25 0.07 0.00 -0.71 0.00 0.00 52.86 50.97 1dx4 s ASN 363 Cb 0.00 0.45 -0.04 0.00 0.41 0.00 0.00 41.25 42.07 1dx4 s ASN 363 CO 0.00 -0.94 0.16 0.68 -1.51 0.00 0.00 177.10 175.49 1dx4 s VAL 364 N -4.11 4.27 0.38 1.60 -7.23 -1.26 -0.95 120.40 113.10 1dx4 s VAL 364 Ca 0.34 -1.49 0.09 0.00 -1.81 0.00 0.00 61.98 59.11 1dx4 s VAL 364 Cb 0.05 -3.30 0.31 0.00 0.56 0.00 0.00 36.38 34.00 1dx4 s VAL 364 CO 0.11 -0.35 1.94 -0.09 -0.31 0.00 0.00 175.10 176.40 1dx4 h ARG 365 N 1.59 0.64 -2.10 4.82 2.43 -1.22 -3.33 114.38 117.21 1dx4 h ARG 365 Ca -0.48 -0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.08 1dx4 h ARG 365 Cb 1.24 -0.14 -0.41 0.00 -0.42 0.00 0.00 29.97 30.24 1dx4 h ARG 365 CO 0.61 0.42 -0.87 -0.25 -1.51 0.00 0.00 179.97 178.37 1dx4 n ASP 366 N -4.50 2.00 -0.23 -3.80 8.00 -0.33 -4.94 116.55 112.75 1dx4 n ASP 366 Ca 0.12 -3.09 -0.03 0.00 0.71 0.00 0.00 54.79 52.50 1dx4 n ASP 366 Cb 0.33 -0.65 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 1dx4 n ASP 366 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1dx4 h GLU 367 N 3.92 0.73 0.00 -1.24 4.39 -1.77 -3.24 114.58 117.38 1dx4 h GLU 367 Ca 0.13 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1dx4 h GLU 367 Cb 0.77 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1dx4 h GLU 367 CO 0.64 0.48 -0.33 0.78 -1.16 0.00 0.00 179.01 179.43 1dx4 h GLY 368 N 0.75 0.00 -0.41 -3.84 0.00 -1.86 -3.39 103.07 94.33 1dx4 h GLY 368 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.66 1dx4 h GLY 368 CO -0.13 0.00 -0.53 -0.91 0.00 0.00 0.00 176.54 174.98 1dx4 h THR 369 N 0.00 0.03 -0.47 4.70 1.35 -1.76 -0.82 112.91 115.94 1dx4 h THR 369 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1dx4 h THR 369 Cb 1.01 0.03 -0.09 0.00 -1.73 0.00 0.00 68.15 67.37 1dx4 h THR 369 CO 0.04 0.00 -0.56 0.22 -0.25 0.00 0.00 175.52 174.97 1dx4 h TYR 370 N -0.36 -1.72 -0.62 4.73 3.20 -1.81 -0.68 116.97 119.70 1dx4 h TYR 370 Ca 0.10 0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1dx4 h TYR 370 Cb 0.59 0.81 -0.03 0.00 1.54 0.00 0.00 36.73 39.63 1dx4 h TYR 370 CO -0.72 -0.47 0.41 0.74 -1.64 0.00 0.00 178.16 176.48 1dx4 h PHE 371 N -0.35 0.71 -0.30 -3.82 0.04 -1.71 -2.07 116.94 109.44 1dx4 h PHE 371 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1dx4 h PHE 371 Cb 0.57 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1dx4 h PHE 371 CO -0.76 0.41 0.11 1.25 -0.60 0.00 0.00 178.31 178.72 1dx4 h LEU 372 N 0.73 0.43 -0.34 1.54 5.85 0.09 -2.23 115.31 121.39 1dx4 h LEU 372 Ca 0.25 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1dx4 h LEU 372 Cb 0.09 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1dx4 h LEU 372 CO -0.07 0.51 -0.05 0.25 -0.34 0.00 0.00 178.44 178.73 1dx4 h LEU 373 N 0.34 -0.24 -0.83 2.25 5.85 -0.49 -2.68 115.31 119.50 1dx4 h LEU 373 Ca 0.10 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1dx4 h LEU 373 Cb 0.22 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1dx4 h LEU 373 CO -0.01 -0.08 -0.15 1.88 -0.34 0.00 0.00 178.44 179.74 1dx4 h TYR 374 N 0.03 0.79 0.00 1.25 -1.99 -1.31 -1.93 116.97 113.81 1dx4 h TYR 374 Ca 0.16 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1dx4 h TYR 374 Cb 0.24 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1dx4 h TYR 374 CO -0.28 0.82 -0.39 -0.25 -0.00 0.00 0.00 178.16 178.06 1dx4 n ASP 375 N -4.15 0.55 -2.68 3.88 9.92 -0.85 -3.96 116.55 119.25 1dx4 n ASP 375 Ca 0.01 0.16 -0.08 0.00 -0.53 0.00 0.00 54.79 54.35 1dx4 n ASP 375 Cb 0.38 -0.08 0.03 0.00 -0.64 0.00 0.00 41.12 40.81 1dx4 n ASP 375 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1dx4 n PHE 376 N -1.87 1.45 0.27 1.24 3.01 -1.02 -4.90 117.46 115.63 1dx4 n PHE 376 Ca 0.05 -2.55 0.17 0.00 1.01 0.00 0.00 57.45 56.13 1dx4 n PHE 376 Cb 0.39 -0.30 0.89 0.00 -0.01 0.00 0.00 39.48 40.45 1dx4 n PHE 376 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1dx4 h ILE 377 N 3.86 0.00 -0.22 4.37 2.10 -1.47 -1.19 117.51 124.96 1dx4 h ILE 377 Ca -0.06 -0.05 -0.10 0.00 1.08 0.00 0.00 64.86 65.74 1dx4 h ILE 377 Cb 1.21 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1dx4 h ILE 377 CO 0.42 0.00 -0.24 0.44 -1.08 0.00 0.00 178.15 177.70 1dx4 h ASP 378 N 0.00 0.59 0.12 2.19 3.32 -1.90 -3.26 116.42 117.48 1dx4 h ASP 378 Ca 0.00 -0.48 -0.21 0.00 0.02 0.00 0.00 57.03 56.36 1dx4 h ASP 378 Cb 0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1dx4 h ASP 378 CO 0.00 0.95 -0.78 1.88 -1.72 0.00 0.00 179.24 179.57 1dx4 h TYR 379 N 0.24 0.76 -1.78 4.55 0.05 -1.62 -3.47 116.97 115.70 1dx4 h TYR 379 Ca 0.03 -0.35 -0.54 0.00 0.05 0.00 0.00 58.73 57.93 1dx4 h TYR 379 Cb 0.79 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.35 1dx4 h TYR 379 CO 0.08 1.14 -0.50 -0.06 -1.05 0.00 0.00 178.16 177.77 1dx4 s PHE 380 N -3.61 2.70 0.02 4.88 0.08 -0.87 -4.93 117.98 116.25 1dx4 s PHE 380 Ca -0.07 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.60 1dx4 s PHE 380 Cb 0.09 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1dx4 s PHE 380 CO 0.87 0.24 -0.15 0.34 -0.10 0.00 0.00 175.22 176.41 1dx4 s ASP 381 N -3.90 1.83 0.44 1.36 -1.08 -1.26 -4.74 116.67 109.32 1dx4 s ASP 381 Ca 0.40 -0.40 0.14 0.00 -0.52 0.00 0.00 52.55 52.17 1dx4 s ASP 381 Cb -0.02 -0.15 0.96 0.00 -1.46 0.00 0.00 42.92 42.25 1dx4 s ASP 381 CO 0.24 0.11 1.97 0.50 0.52 0.00 0.00 175.17 178.51 1dx4 h LYS 382 N 5.23 0.01 0.00 4.34 3.64 -1.97 -3.34 116.57 124.49 1dx4 h LYS 382 Ca -0.38 -0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.65 1dx4 h LYS 382 Cb 1.17 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1dx4 h LYS 382 CO 0.46 0.21 -2.35 -0.25 -2.27 0.00 0.00 179.45 175.25 1dx4 n ASP 383 N -4.30 1.82 -4.66 4.20 9.92 -1.26 0.43 116.55 122.70 1dx4 n ASP 383 Ca -0.02 -0.11 -0.25 0.00 -0.53 0.00 0.00 54.79 53.88 1dx4 n ASP 383 Cb 0.26 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.53 1dx4 n ASP 383 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1dx4 s ASP 384 N -6.13 4.74 0.50 -2.24 1.01 -1.25 -4.15 116.67 109.14 1dx4 s ASP 384 Ca -0.28 -0.45 -0.16 0.00 0.71 0.00 0.00 52.55 52.37 1dx4 s ASP 384 Cb 0.08 -0.98 -0.08 0.00 1.01 0.00 0.00 42.92 42.95 1dx4 s ASP 384 CO 0.59 0.06 0.96 0.00 0.21 0.00 0.00 175.17 177.00 1dx4 s ALA 385 N -1.89 3.10 -0.05 5.23 0.00 -1.26 -4.26 121.76 122.62 1dx4 s ALA 385 Ca 0.29 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1dx4 s ALA 385 Cb -0.08 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1dx4 s ALA 385 CO 0.19 -0.21 -0.24 0.95 0.00 0.00 0.00 175.76 176.45 1dx4 s THR 386 N -2.59 2.00 -0.51 0.00 -4.23 -1.26 -4.99 115.64 104.06 1dx4 s THR 386 Ca 0.58 -1.04 -0.28 0.00 -1.18 0.00 0.00 61.69 59.77 1dx4 s THR 386 Cb -0.10 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.07 1dx4 s THR 386 CO 0.31 0.56 1.41 0.00 -0.54 0.00 0.00 174.62 176.36 1dx4 s ALA 387 N -0.16 2.89 -0.24 3.99 0.00 -1.26 -3.44 121.76 123.53 1dx4 s ALA 387 Ca -0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 1dx4 s ALA 387 Cb -0.13 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 1dx4 s ALA 387 CO 0.03 -2.75 0.46 -1.17 0.00 0.00 0.00 175.76 172.33 1dx4 s LEU 388 N 5.86 4.08 0.84 0.00 2.96 -1.26 -4.83 118.68 126.33 1dx4 s LEU 388 Ca 0.55 0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 54.84 1dx4 s LEU 388 Cb -0.12 -2.58 0.10 0.00 0.50 0.00 0.00 46.19 44.09 1dx4 s LEU 388 CO 0.28 -0.21 1.12 -2.84 -1.32 0.00 0.00 176.35 173.38 1dx4 s PRO 389 N 1.97 1.67 0.28 0.98 0.02 -1.26 -4.11 135.00 134.55 1dx4 s PRO 389 Ca 0.20 1.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.53 1dx4 s PRO 389 Cb -0.15 -1.82 0.40 0.00 0.02 0.00 0.00 34.50 32.94 1dx4 s PRO 389 CO 0.09 -2.11 1.93 -0.09 -0.33 0.00 0.00 177.00 176.49 1dx4 h ARG 390 N -1.48 1.09 -0.57 5.54 1.12 -1.99 -0.69 114.38 117.39 1dx4 h ARG 390 Ca -0.43 -0.09 -0.09 0.00 -1.11 0.00 0.00 59.98 58.25 1dx4 h ARG 390 Cb 1.25 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1dx4 h ARG 390 CO 0.47 0.76 -0.02 0.38 -3.11 0.00 0.00 179.97 178.45 1dx4 h ASP 391 N 1.11 0.98 -0.16 -3.80 2.03 -1.99 -2.27 116.42 112.31 1dx4 h ASP 391 Ca 0.29 -0.28 -0.02 0.00 -0.73 0.00 0.00 57.03 56.29 1dx4 h ASP 391 Cb -0.05 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.18 1dx4 h ASP 391 CO -0.06 1.04 0.02 0.11 -1.03 0.00 0.00 179.24 179.32 1dx4 h LYS 392 N 0.91 0.28 -0.38 4.15 1.79 -1.75 0.55 116.57 122.12 1dx4 h LYS 392 Ca 0.16 -0.08 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 1dx4 h LYS 392 Cb 0.55 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 1dx4 h LYS 392 CO 0.03 0.47 0.02 -0.92 -1.08 0.00 0.00 179.45 177.96 1dx4 h TYR 393 N 0.05 0.01 -0.56 -1.35 3.20 -1.05 0.14 116.97 117.41 1dx4 h TYR 393 Ca 0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1dx4 h TYR 393 Cb 0.33 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1dx4 h TYR 393 CO 0.02 -0.06 0.05 -0.07 -1.64 0.00 0.00 178.16 176.47 1dx4 h LEU 394 N 0.12 0.92 -0.15 2.82 3.38 -1.30 -0.10 115.31 121.00 1dx4 h LEU 394 Ca 0.19 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1dx4 h LEU 394 Cb 0.26 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1dx4 h LEU 394 CO -0.30 0.97 -0.08 -0.08 0.09 0.00 0.00 178.44 179.04 1dx4 h GLU 395 N 0.83 -0.06 0.00 1.13 4.81 -0.05 -0.19 114.58 121.06 1dx4 h GLU 395 Ca 0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1dx4 h GLU 395 Cb 0.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1dx4 h GLU 395 CO 0.02 -0.04 -0.00 0.82 -0.73 0.00 0.00 179.01 179.08 1dx4 h ILE 396 N -0.06 1.28 -0.02 2.32 2.04 -0.62 -2.90 117.51 119.55 1dx4 h ILE 396 Ca 0.09 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1dx4 h ILE 396 Cb 0.19 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 1dx4 h ILE 396 CO -0.20 0.22 -0.30 0.24 0.00 0.00 0.00 178.15 178.11 1dx4 h MET 397 N -0.36 -0.42 -0.09 2.37 2.86 -0.87 0.38 114.93 118.81 1dx4 h MET 397 Ca -0.00 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1dx4 h MET 397 Cb 0.35 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1dx4 h MET 397 CO 0.00 -0.28 0.22 -0.91 1.06 0.00 0.00 176.91 177.00 1dx4 h ASN 398 N -0.43 0.00 0.10 1.22 2.35 -1.07 -1.68 115.58 116.07 1dx4 h ASN 398 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1dx4 h ASN 398 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1dx4 h ASN 398 CO -0.27 0.00 -0.05 -1.13 -1.65 0.00 0.00 177.43 174.33 1dx4 h ASN 399 N 0.00 -0.12 -0.83 5.81 -0.00 -0.75 -1.43 115.58 118.27 1dx4 h ASN 399 Ca 0.04 0.00 0.21 0.00 -0.00 0.00 0.00 56.30 56.55 1dx4 h ASN 399 Cb 0.48 0.03 -0.13 0.00 -0.00 0.00 0.00 38.32 38.70 1dx4 h ASN 399 CO -0.00 0.13 0.20 0.40 -0.00 0.00 0.00 177.43 178.16 1dx4 h ILE 400 N -0.57 0.38 -0.38 2.57 2.04 -0.72 -1.15 117.51 119.69 1dx4 h ILE 400 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1dx4 h ILE 400 Cb 0.11 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1dx4 h ILE 400 CO 0.02 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.70 1dx4 n PHE 401 N -5.21 1.36 0.19 1.37 3.01 -0.68 -4.59 117.46 112.91 1dx4 n PHE 401 Ca 0.18 -0.82 0.12 0.00 1.01 0.00 0.00 57.45 57.94 1dx4 n PHE 401 Cb 0.59 -0.39 0.65 0.00 -0.01 0.00 0.00 39.48 40.32 1dx4 n PHE 401 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1dx4 h GLY 402 N 2.61 0.00 2.00 1.37 0.00 -0.05 0.39 103.07 109.39 1dx4 h GLY 402 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dx4 h GLY 402 CO 0.32 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.93 1dx4 h LYS 403 N 0.00 0.00 -6.80 4.80 -0.00 -1.81 -3.45 116.57 109.31 1dx4 h LYS 403 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 60.65 60.15 1dx4 h LYS 403 Cb 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.34 1dx4 h LYS 403 CO 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 179.45 179.53 1dx4 s ALA 404 N -3.24 3.40 1.07 0.07 0.00 0.13 -5.04 121.76 118.14 1dx4 s ALA 404 Ca 0.07 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1dx4 s ALA 404 Cb 0.06 -2.62 0.11 0.00 0.00 0.00 0.00 23.12 20.67 1dx4 s ALA 404 CO 0.65 -0.02 0.31 0.25 0.00 0.00 0.00 175.76 176.94 1dx4 n THR 405 N -1.39 0.00 0.10 0.00 -2.24 -1.26 -4.68 114.28 104.81 1dx4 n THR 405 Ca 0.01 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 1dx4 n THR 405 Cb 0.54 -0.68 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1dx4 n THR 405 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1dx4 h GLN 406 N -2.00 0.02 -0.26 -0.78 4.15 -1.94 -1.39 115.11 112.90 1dx4 h GLN 406 Ca -0.51 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 58.92 1dx4 h GLN 406 Cb 1.33 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.99 1dx4 h GLN 406 CO 0.39 0.81 0.04 0.00 -1.93 0.00 0.00 178.83 178.13 1dx4 h ALA 407 N 1.19 0.25 0.01 3.38 0.00 -1.94 0.13 119.26 122.28 1dx4 h ALA 407 Ca -0.01 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1dx4 h ALA 407 Cb 1.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1dx4 h ALA 407 CO 0.11 -0.38 -0.96 1.05 0.00 0.00 0.00 179.25 179.07 1dx4 h GLU 408 N 0.13 0.41 -0.67 0.00 4.11 -1.85 -2.15 114.58 114.56 1dx4 h GLU 408 Ca 0.12 -0.45 0.14 0.00 0.07 0.00 0.00 59.36 59.23 1dx4 h GLU 408 Cb 0.13 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1dx4 h GLU 408 CO -0.17 1.12 0.46 -0.09 0.07 0.00 0.00 179.01 180.39 1dx4 h ARG 409 N 0.23 0.33 0.20 1.06 2.43 -0.69 0.38 114.38 118.33 1dx4 h ARG 409 Ca -0.08 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.78 1dx4 h ARG 409 Cb 1.59 -0.07 0.03 0.00 -0.42 0.00 0.00 29.97 31.10 1dx4 h ARG 409 CO 0.17 0.22 -1.30 0.93 -1.51 0.00 0.00 179.97 178.47 1dx4 h GLU 410 N 0.34 0.43 -0.87 0.20 5.08 -0.68 -2.66 114.58 116.42 1dx4 h GLU 410 Ca 0.32 -0.74 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1dx4 h GLU 410 Cb 0.80 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1dx4 h GLU 410 CO -0.09 1.35 0.57 0.00 -1.00 0.00 0.00 179.01 179.85 1dx4 h ALA 411 N 0.11 1.48 0.24 3.43 0.00 -0.43 0.06 119.26 124.15 1dx4 h ALA 411 Ca -0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1dx4 h ALA 411 Cb 1.97 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1dx4 h ALA 411 CO 0.21 0.42 -0.11 0.82 0.00 0.00 0.00 179.25 180.59 1dx4 h ILE 412 N 1.06 0.81 -0.87 0.00 2.04 -0.39 -1.55 117.51 118.62 1dx4 h ILE 412 Ca 0.35 -0.73 0.16 0.00 1.00 0.00 0.00 64.86 65.65 1dx4 h ILE 412 Cb 0.07 1.20 -0.10 0.00 -0.74 0.00 0.00 36.82 37.25 1dx4 h ILE 412 CO -0.11 0.15 0.44 0.40 0.00 0.00 0.00 178.15 179.03 1dx4 h ILE 413 N -0.71 0.68 -0.07 -0.67 2.04 -1.07 -1.31 117.51 116.41 1dx4 h ILE 413 Ca -0.03 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1dx4 h ILE 413 Cb 0.49 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1dx4 h ILE 413 CO 0.05 0.11 0.00 0.15 0.00 0.00 0.00 178.15 178.47 1dx4 h PHE 414 N 0.60 0.12 -0.10 1.37 3.57 -0.94 -2.76 116.94 118.79 1dx4 h PHE 414 Ca 0.49 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.00 1dx4 h PHE 414 Cb 0.74 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1dx4 h PHE 414 CO -0.09 0.37 0.16 0.37 -2.23 0.00 0.00 178.31 176.88 1dx4 h GLN 415 N -0.16 0.00 -0.29 1.11 5.75 -0.36 -2.58 115.11 118.59 1dx4 h GLN 415 Ca 0.02 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.36 1dx4 h GLN 415 Cb 0.32 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.77 1dx4 h GLN 415 CO 0.00 0.00 -0.20 0.66 -2.65 0.00 0.00 178.83 176.64 1dx4 n TYR 416 N -3.58 0.90 -3.87 3.99 4.02 -0.58 -5.00 117.16 113.04 1dx4 n TYR 416 Ca -0.00 -1.63 -0.33 0.00 -0.01 0.00 0.00 57.90 55.93 1dx4 n TYR 416 Cb 0.25 -0.44 -0.05 0.00 -0.02 0.00 0.00 39.34 39.09 1dx4 n TYR 416 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1dx4 s THR 417 N -3.32 5.38 0.00 -0.72 -4.23 -0.97 -4.77 115.64 107.01 1dx4 s THR 417 Ca 0.44 -0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.84 1dx4 s THR 417 Cb 0.40 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1dx4 s THR 417 CO -0.02 0.25 -0.18 -0.94 -0.54 0.00 0.00 174.62 173.18 1dx4 s SER 418 N -2.13 3.73 -0.00 3.99 1.04 -1.26 -5.00 113.70 114.07 1dx4 s SER 418 Ca 0.31 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 1dx4 s SER 418 Cb -0.13 -0.63 -0.00 0.00 0.10 0.00 0.00 66.02 65.36 1dx4 s SER 418 CO 0.22 0.29 -0.00 0.79 0.98 0.00 0.00 173.24 175.52 1dx4 n TRP 419 N 1.92 0.00 -1.59 5.02 8.01 -1.26 -4.93 117.44 124.61 1dx4 n TRP 419 Ca -0.16 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.59 1dx4 n TRP 419 Cb 0.52 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.78 1dx4 n TRP 419 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1dx4 n GLU 420 N -2.77 1.96 0.00 -0.99 -0.58 -1.26 -4.57 120.64 112.43 1dx4 n GLU 420 Ca -0.00 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1dx4 n GLU 420 Cb 0.50 -3.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.24 1dx4 n GLU 420 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dx4 n GLY 421 N 5.71 0.80 3.84 0.62 0.00 -1.26 -4.97 105.19 109.93 1dx4 n GLY 421 Ca 0.30 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 1dx4 n GLY 421 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dx4 s ASN 422 N -4.00 4.87 0.00 1.61 0.01 -1.26 -5.10 114.94 111.06 1dx4 s ASN 422 Ca 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.30 1dx4 s ASN 422 Cb 0.00 -0.51 0.00 0.00 0.41 0.00 0.00 41.25 41.15 1dx4 s ASN 422 CO 0.00 -0.64 0.21 -2.65 -1.51 0.00 0.00 177.10 172.51 1dx4 n PRO 423 N -1.47 0.00 -1.51 -0.60 -0.02 -1.26 -4.25 135.00 125.89 1dx4 n PRO 423 Ca 0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.25 1dx4 n PRO 423 Cb 0.63 -0.67 -0.19 0.00 -0.02 0.00 0.00 33.50 33.25 1dx4 n PRO 423 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dx4 n GLY 424 N 1.10 -0.42 0.00 -1.23 0.00 -1.26 0.27 105.19 103.64 1dx4 n GLY 424 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1dx4 n GLY 424 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dx4 n TYR 425 N 8.65 0.00 0.04 1.61 4.02 -1.22 -4.60 117.16 125.65 1dx4 n TYR 425 Ca 0.64 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 58.33 1dx4 n TYR 425 Cb 0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1dx4 n TYR 425 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1dx4 h GLN 426 N 0.00 0.70 -0.99 -0.72 5.75 0.36 -2.71 115.11 117.50 1dx4 h GLN 426 Ca 0.00 -0.75 0.01 0.00 -0.15 0.00 0.00 58.65 57.76 1dx4 h GLN 426 Cb 0.00 0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1dx4 h GLN 426 CO 0.00 1.32 0.65 -0.91 -2.65 0.00 0.00 178.83 177.25 1dx4 h ASN 427 N 0.40 1.13 -0.27 -0.69 2.35 -1.02 -0.19 115.58 117.28 1dx4 h ASN 427 Ca -0.13 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1dx4 h ASN 427 Cb 1.69 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.77 1dx4 h ASN 427 CO 0.20 0.81 0.07 -0.61 -1.65 0.00 0.00 177.43 176.26 1dx4 h GLN 428 N 1.33 0.43 -0.98 0.81 4.15 -1.81 -1.87 115.11 117.18 1dx4 h GLN 428 Ca 0.36 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.71 1dx4 h GLN 428 Cb -0.14 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.43 1dx4 h GLN 428 CO -0.08 0.52 0.64 1.96 -1.93 0.00 0.00 178.83 179.94 1dx4 h GLN 429 N 0.27 1.24 -0.57 1.69 7.50 -1.10 -1.55 115.11 122.59 1dx4 h GLN 429 Ca 0.09 -0.07 -0.09 0.00 0.50 0.00 0.00 58.65 59.07 1dx4 h GLN 429 Cb 0.28 -0.28 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 1dx4 h GLN 429 CO 0.00 0.82 0.01 1.96 -1.50 0.00 0.00 178.83 180.12 1dx4 h GLN 430 N 1.28 0.97 -0.04 1.46 1.08 -0.77 -0.95 115.11 118.14 1dx4 h GLN 430 Ca 0.38 -0.29 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 1dx4 h GLN 430 Cb -0.06 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1dx4 h GLN 430 CO -0.10 0.95 -0.50 0.82 -0.95 0.00 0.00 178.83 179.05 1dx4 h ILE 431 N 0.90 1.36 -0.26 2.54 2.04 -0.92 -1.89 117.51 121.27 1dx4 h ILE 431 Ca 0.17 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 1dx4 h ILE 431 Cb 0.51 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1dx4 h ILE 431 CO 0.03 0.50 -0.00 1.23 0.00 0.00 0.00 178.15 179.90 1dx4 h GLY 432 N 1.44 0.49 0.99 5.37 0.00 -0.79 -2.43 103.07 108.15 1dx4 h GLY 432 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1dx4 h GLY 432 CO 0.07 0.34 0.26 3.21 0.00 0.00 0.00 176.54 180.42 1dx4 h ARG 433 N 0.23 0.52 -0.48 4.80 3.08 -0.95 -2.28 114.38 119.30 1dx4 h ARG 433 Ca 0.07 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1dx4 h ARG 433 Cb 0.42 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1dx4 h ARG 433 CO 0.01 0.35 0.32 0.00 -1.07 0.00 0.00 179.97 179.58 1dx4 h ALA 434 N 1.15 1.73 0.55 0.04 0.00 -1.27 0.13 119.26 121.60 1dx4 h ALA 434 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dx4 h ALA 434 Cb -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dx4 h ALA 434 CO -0.04 0.22 -0.26 0.28 0.00 0.00 0.00 179.25 179.45 1dx4 h VAL 435 N 0.58 0.14 -0.59 0.00 2.07 -0.95 -1.74 116.25 115.75 1dx4 h VAL 435 Ca 0.19 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1dx4 h VAL 435 Cb 0.04 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1dx4 h VAL 435 CO -0.05 0.03 0.38 1.23 0.02 0.00 0.00 177.57 179.18 1dx4 h GLY 436 N -1.14 0.84 0.79 2.17 0.00 -1.30 -0.05 103.07 104.38 1dx4 h GLY 436 Ca -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1dx4 h GLY 436 CO 0.12 0.28 -0.06 -0.55 0.00 0.00 0.00 176.54 176.33 1dx4 h ASP 437 N 0.77 -0.17 -0.03 0.19 3.32 -0.81 0.32 116.42 120.01 1dx4 h ASP 437 Ca 0.23 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1dx4 h ASP 437 Cb -0.05 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1dx4 h ASP 437 CO -0.07 -0.08 -0.02 -0.74 -1.72 0.00 0.00 179.24 176.61 1dx4 h HIS 438 N -0.08 0.08 0.00 4.55 2.76 -1.13 -1.88 115.15 119.45 1dx4 h HIS 438 Ca 0.04 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1dx4 h HIS 438 Cb 0.14 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1dx4 h HIS 438 CO -0.15 0.49 -0.34 0.74 -1.30 0.00 0.00 177.93 177.38 1dx4 h PHE 439 N -0.36 0.00 0.00 5.26 0.04 -0.99 -3.40 116.94 117.49 1dx4 h PHE 439 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1dx4 h PHE 439 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1dx4 h PHE 439 CO 0.08 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.98 1dx4 n PHE 440 N -2.67 0.00 -0.13 -0.55 3.72 0.10 -4.66 117.46 113.27 1dx4 n PHE 440 Ca 0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 1dx4 n PHE 440 Cb 0.50 0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 39.10 1dx4 n PHE 440 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1dx4 h THR 441 N 0.00 0.10 -0.54 4.37 2.02 -1.46 -1.85 112.91 115.56 1dx4 h THR 441 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1dx4 h THR 441 Cb 0.00 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1dx4 h THR 441 CO 0.00 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.10 1dx4 h PRO 443 N 0.73 0.90 -0.00 0.00 0.11 -1.67 0.14 132.00 132.20 1dx4 h PRO 443 Ca 0.18 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 1dx4 h PRO 443 Cb 0.21 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1dx4 h PRO 443 CO -0.01 0.59 -0.65 1.79 -0.21 0.00 0.00 178.00 179.51 1dx4 h THR 444 N 0.92 1.47 -0.08 -1.15 1.35 -1.15 -2.47 112.91 111.79 1dx4 h THR 444 Ca 0.33 -2.22 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 1dx4 h THR 444 Cb 0.09 2.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1dx4 h THR 444 CO -0.14 0.63 0.01 -1.13 -0.25 0.00 0.00 175.52 174.65 1dx4 h ASN 445 N 0.00 0.13 -0.66 5.36 -1.24 -0.14 -0.71 115.58 118.31 1dx4 h ASN 445 Ca -0.01 -0.26 0.07 0.00 0.71 0.00 0.00 56.30 56.82 1dx4 h ASN 445 Cb 1.15 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 40.10 1dx4 h ASN 445 CO 0.08 0.36 0.34 -0.08 -1.29 0.00 0.00 177.43 176.84 1dx4 h GLU 446 N -0.11 0.59 -0.02 6.67 4.81 -0.61 -0.76 114.58 125.16 1dx4 h GLU 446 Ca 0.02 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1dx4 h GLU 446 Cb 0.28 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1dx4 h GLU 446 CO 0.00 0.39 -0.49 -0.92 -0.73 0.00 0.00 179.01 177.26 1dx4 h TYR 447 N 0.61 0.06 -0.06 0.92 3.20 -1.36 -0.55 116.97 119.79 1dx4 h TYR 447 Ca 0.31 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1dx4 h TYR 447 Cb 0.27 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1dx4 h TYR 447 CO -0.10 0.54 0.02 0.00 -1.64 0.00 0.00 178.16 176.98 1dx4 h ALA 448 N 1.46 0.07 -0.28 1.82 0.00 0.10 0.42 119.26 122.85 1dx4 h ALA 448 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dx4 h ALA 448 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1dx4 h ALA 448 CO 0.07 -0.35 0.16 1.96 0.00 0.00 0.00 179.25 181.08 1dx4 h GLN 449 N -0.05 0.39 -0.63 0.00 4.20 -0.95 -1.68 115.11 116.38 1dx4 h GLN 449 Ca 0.02 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1dx4 h GLN 449 Cb 0.15 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1dx4 h GLN 449 CO -0.00 0.32 0.40 0.00 -0.67 0.00 0.00 178.83 178.88 1dx4 h ALA 450 N 1.04 0.82 -0.18 3.87 0.00 -0.83 -1.39 119.26 122.59 1dx4 h ALA 450 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dx4 h ALA 450 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dx4 h ALA 450 CO -0.02 0.17 0.12 -0.07 0.00 0.00 0.00 179.25 179.45 1dx4 h LEU 451 N 0.80 0.21 -0.69 0.00 4.07 0.07 -1.77 115.31 118.00 1dx4 h LEU 451 Ca 0.25 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.22 1dx4 h LEU 451 Cb -0.02 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 1dx4 h LEU 451 CO -0.09 0.18 0.42 0.00 -1.08 0.00 0.00 178.44 177.87 1dx4 h ALA 452 N 1.04 0.91 -0.47 1.53 0.00 -1.04 -1.43 119.26 119.80 1dx4 h ALA 452 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dx4 h ALA 452 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1dx4 h ALA 452 CO -0.01 0.17 0.28 0.93 0.00 0.00 0.00 179.25 180.61 1dx4 h GLU 453 N 0.81 0.63 -0.03 0.00 4.39 -0.93 0.07 114.58 119.53 1dx4 h GLU 453 Ca 0.29 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1dx4 h GLU 453 Cb 0.07 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1dx4 h GLU 453 CO -0.13 0.45 0.00 0.54 -1.16 0.00 0.00 179.01 178.71 1dx4 n ARG 454 N -4.44 1.09 -0.04 2.33 5.12 -0.58 -4.89 116.66 115.26 1dx4 n ARG 454 Ca 0.04 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1dx4 n ARG 454 Cb 0.08 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1dx4 n ARG 454 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dx4 n GLY 455 N 0.73 0.38 3.79 -0.13 0.00 0.01 -0.36 105.19 109.61 1dx4 n GLY 455 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1dx4 n GLY 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dx4 s ALA 456 N -2.13 2.61 -0.63 4.61 0.00 -0.95 -3.85 121.76 121.42 1dx4 s ALA 456 Ca 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 51.96 52.22 1dx4 s ALA 456 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.93 1dx4 s ALA 456 CO 0.00 -1.04 0.87 0.45 0.00 0.00 0.00 175.76 176.04 1dx4 s SER 457 N -2.69 6.18 -0.16 0.00 0.15 0.06 -4.43 113.70 112.82 1dx4 s SER 457 Ca 0.65 -1.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 1dx4 s SER 457 Cb -0.18 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1dx4 s SER 457 CO 0.39 -1.33 0.07 -0.69 1.20 0.00 0.00 173.24 172.89 1dx4 s VAL 458 N 3.59 4.88 -0.11 4.45 1.01 -1.26 -0.94 120.40 132.03 1dx4 s VAL 458 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1dx4 s VAL 458 Cb -0.19 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1dx4 s VAL 458 CO 0.09 0.50 -0.16 -1.00 0.00 0.00 0.00 175.10 174.54 1dx4 s HIS 459 N -0.03 1.99 0.05 5.22 3.76 -0.16 -0.54 115.29 125.59 1dx4 s HIS 459 Ca 0.07 -0.93 0.04 0.00 -0.15 0.00 0.00 55.06 54.10 1dx4 s HIS 459 Cb -0.12 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 1dx4 s HIS 459 CO 0.01 -0.47 -0.05 -0.47 -0.85 0.00 0.00 174.74 172.91 1dx4 s TYR 460 N 0.95 2.90 0.06 1.40 6.14 -1.25 -1.05 117.35 126.49 1dx4 s TYR 460 Ca -0.07 -0.05 -0.00 0.00 0.64 0.00 0.00 57.07 57.58 1dx4 s TYR 460 Cb -0.15 -1.55 -0.04 0.00 0.42 0.00 0.00 41.96 40.64 1dx4 s TYR 460 CO -0.01 0.42 -0.04 1.52 0.64 0.00 0.00 175.55 178.08 1dx4 s TYR 461 N -1.14 0.61 -0.09 4.97 -0.85 -0.55 -1.78 117.35 118.52 1dx4 s TYR 461 Ca 0.21 -1.01 -0.01 0.00 -0.52 0.00 0.00 57.07 55.73 1dx4 s TYR 461 Cb -0.11 -0.42 0.03 0.00 0.38 0.00 0.00 41.96 41.84 1dx4 s TYR 461 CO 0.12 -0.32 -0.02 -0.47 -1.52 0.00 0.00 175.55 173.34 1dx4 s TYR 462 N -3.77 0.98 -0.41 -3.49 5.04 0.15 -2.69 117.35 113.16 1dx4 s TYR 462 Ca 0.07 -0.41 -0.18 0.00 -2.44 0.00 0.00 57.07 54.12 1dx4 s TYR 462 Cb 0.07 -0.97 0.02 0.00 0.35 0.00 0.00 41.96 41.43 1dx4 s TYR 462 CO -0.08 -0.41 0.49 0.12 -1.34 0.00 0.00 175.55 174.33 1dx4 s PHE 463 N 1.87 3.15 -0.16 4.97 5.36 -0.12 0.30 117.98 133.35 1dx4 s PHE 463 Ca 0.05 -0.20 0.18 0.00 -0.96 0.00 0.00 56.93 55.99 1dx4 s PHE 463 Cb -0.13 -2.99 0.38 0.00 -0.34 0.00 0.00 43.02 39.95 1dx4 s PHE 463 CO -0.06 -0.70 1.26 0.25 -1.46 0.00 0.00 175.22 174.51 1dx4 n THR 464 N 5.52 2.03 -3.74 0.12 -2.24 -0.57 -1.01 114.28 114.38 1dx4 n THR 464 Ca -0.06 -2.08 -0.37 0.00 -2.27 0.00 0.00 64.05 59.27 1dx4 n THR 464 Cb 0.48 -0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.36 1dx4 n THR 464 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1dx4 s HIS 465 N -2.82 3.12 -0.31 4.78 5.04 -1.25 -4.92 115.29 118.93 1dx4 s HIS 465 Ca 0.36 -0.30 -0.25 0.00 -1.54 0.00 0.00 55.06 53.32 1dx4 s HIS 465 Cb 0.30 -2.25 0.01 0.00 0.04 0.00 0.00 32.58 30.67 1dx4 s HIS 465 CO 0.05 -0.30 0.88 0.50 -2.34 0.00 0.00 174.74 173.54 1dx4 s ARG 466 N 1.57 3.98 0.22 2.88 3.52 -1.26 -4.85 118.95 125.01 1dx4 s ARG 466 Ca 0.06 0.72 -0.32 0.00 -0.13 0.00 0.00 55.73 56.06 1dx4 s ARG 466 Cb -0.15 -3.74 -0.13 0.00 -1.56 0.00 0.00 34.95 29.38 1dx4 s ARG 466 CO 0.05 -0.76 1.60 2.41 -0.81 0.00 0.00 175.30 177.79 1dx4 n THR 467 N 5.66 0.39 -0.13 4.11 -1.04 -1.26 -4.84 114.28 117.17 1dx4 n THR 467 Ca 0.06 -0.10 0.28 0.00 -2.04 0.00 0.00 64.05 62.25 1dx4 n THR 467 Cb 0.48 -1.77 0.69 0.00 -1.82 0.00 0.00 70.33 67.91 1dx4 n THR 467 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1dx4 h SER 468 N 5.66 0.00 -0.44 8.00 4.64 -1.96 -0.10 113.55 129.36 1dx4 h SER 468 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1dx4 h SER 468 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1dx4 h SER 468 CO 0.87 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.18 1dx4 n THR 469 N -3.81 0.59 -1.61 2.95 -2.24 -1.26 -4.99 114.28 103.90 1dx4 n THR 469 Ca 0.18 -0.79 -0.52 0.00 -2.27 0.00 0.00 64.05 60.65 1dx4 n THR 469 Cb 1.04 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 70.12 1dx4 n THR 469 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1dx4 n SER 470 N 1.48 1.88 -1.22 3.42 2.88 -0.05 -4.84 113.62 117.16 1dx4 n SER 470 Ca 0.20 1.11 0.06 0.00 -1.33 0.00 0.00 58.87 58.91 1dx4 n SER 470 Cb 0.60 -1.22 0.25 0.00 -0.75 0.00 0.00 64.21 63.09 1dx4 n SER 470 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1dx4 n LEU 471 N 2.86 3.55 -4.83 2.46 4.77 -1.26 -4.92 117.00 119.63 1dx4 n LEU 471 Ca 0.19 -1.79 -0.22 0.00 -0.03 0.00 0.00 56.01 54.16 1dx4 n LEU 471 Cb 0.20 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1dx4 n LEU 471 CO 0.64 0.56 -0.10 0.26 -1.33 0.00 0.00 177.39 177.42 1dx4 s TRP 472 N -1.85 2.83 0.55 -1.77 0.52 -1.26 -4.90 118.94 113.05 1dx4 s TRP 472 Ca 0.35 -0.35 -0.21 0.00 0.02 0.00 0.00 56.10 55.91 1dx4 s TRP 472 Cb 0.23 -1.81 -0.06 0.00 -1.15 0.00 0.00 33.47 30.68 1dx4 s TRP 472 CO 0.15 0.18 1.11 0.41 0.02 0.00 0.00 176.95 178.82 1dx4 n GLY 473 N -1.34 0.08 0.28 0.98 0.00 0.17 -4.87 105.19 100.49 1dx4 n GLY 473 Ca -0.01 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1dx4 n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dx4 h GLU 474 N 1.00 0.00 0.00 1.61 5.08 -1.86 -2.15 114.58 118.26 1dx4 h GLU 474 Ca -0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1dx4 h GLU 474 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1dx4 h GLU 474 CO 0.54 0.06 -0.30 0.11 -1.00 0.00 0.00 179.01 178.43 1dx4 h TRP 475 N 0.00 0.00 0.00 4.33 5.08 -1.89 -2.52 115.95 120.95 1dx4 h TRP 475 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1dx4 h TRP 475 Cb 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1dx4 h TRP 475 CO 0.00 0.30 0.00 -1.33 -1.28 0.00 0.00 178.44 176.13 1dx4 n MET 476 N -4.13 0.10 0.00 0.12 2.81 -0.81 -4.97 117.12 110.24 1dx4 n MET 476 Ca -0.02 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1dx4 n MET 476 Cb 0.35 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1dx4 n MET 476 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dx4 n GLY 477 N 0.45 1.01 3.56 3.03 0.00 -0.95 -4.15 105.19 108.14 1dx4 n GLY 477 Ca 0.04 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1dx4 n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dx4 s VAL 478 N 0.00 3.53 0.22 1.61 1.01 -1.26 -4.94 120.40 120.58 1dx4 s VAL 478 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1dx4 s VAL 478 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1dx4 s VAL 478 CO 0.00 -1.16 0.29 -1.48 0.00 0.00 0.00 175.10 172.75 1dx4 s LEU 479 N 7.56 4.15 -0.30 3.92 2.34 -1.26 -1.18 118.68 133.91 1dx4 s LEU 479 Ca 0.57 -0.01 -0.28 0.00 0.06 0.00 0.00 54.13 54.47 1dx4 s LEU 479 Cb -0.12 -2.70 -0.12 0.00 -0.56 0.00 0.00 46.19 42.69 1dx4 s LEU 479 CO 0.21 -0.03 0.96 1.57 -1.06 0.00 0.00 176.35 178.00 1dx4 n HIS 480 N -1.15 1.04 -0.02 3.48 -0.00 -1.25 -0.67 115.22 116.65 1dx4 n HIS 480 Ca -0.08 0.68 0.00 0.00 -0.00 0.00 0.00 57.72 58.32 1dx4 n HIS 480 Cb 0.57 -1.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.23 1dx4 n HIS 480 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1dx4 n GLY 481 N 2.43 1.00 0.22 1.57 0.00 -1.26 -4.91 105.19 104.24 1dx4 n GLY 481 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1dx4 n GLY 481 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dx4 h ASP 482 N 0.00 0.19 0.72 1.61 3.32 -1.28 -2.70 116.42 118.28 1dx4 h ASP 482 Ca 0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1dx4 h ASP 482 Cb 0.00 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1dx4 h ASP 482 CO 0.00 0.44 -0.37 1.05 -1.72 0.00 0.00 179.24 178.64 1dx4 h GLU 483 N 0.18 0.00 -0.16 3.56 9.09 -1.91 -3.32 114.58 122.02 1dx4 h GLU 483 Ca 0.03 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.49 1dx4 h GLU 483 Cb 0.52 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.56 1dx4 h GLU 483 CO 0.04 0.37 -0.35 0.82 0.05 0.00 0.00 179.01 179.94 1dx4 h ILE 484 N 0.00 0.24 -0.65 -1.06 2.04 -1.88 -2.05 117.51 114.16 1dx4 h ILE 484 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1dx4 h ILE 484 Cb 0.83 0.24 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 1dx4 h ILE 484 CO 0.05 0.00 -0.32 -0.33 0.00 0.00 0.00 178.15 177.55 1dx4 h GLU 485 N -0.40 -0.12 -0.71 2.37 5.08 -1.74 -1.42 114.58 117.63 1dx4 h GLU 485 Ca 0.10 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1dx4 h GLU 485 Cb 0.57 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1dx4 h GLU 485 CO -0.38 -0.08 0.45 1.88 -1.00 0.00 0.00 179.01 179.88 1dx4 h TYR 486 N -0.13 0.85 0.00 4.33 -1.99 -1.61 -1.16 116.97 117.26 1dx4 h TYR 486 Ca 0.26 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.96 1dx4 h TYR 486 Cb 0.55 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1dx4 h TYR 486 CO -0.65 0.50 -0.25 0.74 -0.00 0.00 0.00 178.16 178.50 1dx4 h PHE 487 N 0.89 0.00 -0.00 4.88 0.04 -0.70 -0.37 116.94 121.68 1dx4 h PHE 487 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1dx4 h PHE 487 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1dx4 h PHE 487 CO -0.04 0.25 -0.15 1.19 -0.60 0.00 0.00 178.31 178.96 1dx4 n PHE 488 N -3.73 0.00 -2.21 -0.55 3.72 -0.60 -4.36 117.46 109.73 1dx4 n PHE 488 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1dx4 n PHE 488 Cb 0.35 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1dx4 n PHE 488 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dx4 n GLY 489 N 1.33 -0.08 0.25 1.37 0.00 -0.15 -3.93 105.19 103.99 1dx4 n GLY 489 Ca 0.13 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1dx4 n GLY 489 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1dx4 h GLN 490 N -0.01 0.00 0.00 1.61 1.08 -1.55 -2.34 115.11 113.90 1dx4 h GLN 490 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1dx4 h GLN 490 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1dx4 h GLN 490 CO 0.30 0.14 0.00 -2.30 -0.95 0.00 0.00 178.83 176.03 1dx4 n PRO 491 N -3.49 0.15 0.00 1.46 -0.02 -1.26 -0.99 135.00 130.85 1dx4 n PRO 491 Ca -0.01 0.18 0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1dx4 n PRO 491 Cb 0.30 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 32.83 1dx4 n PRO 491 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1dx4 n LEU 492 N -1.34 0.11 -4.56 2.45 4.77 -0.88 -4.55 117.00 112.99 1dx4 n LEU 492 Ca 0.06 0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 56.02 1dx4 n LEU 492 Cb 0.13 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1dx4 n LEU 492 CO 0.12 0.03 1.17 0.21 -1.33 0.00 0.00 177.39 177.58 1dx4 s ASN 493 N -2.99 6.20 0.62 -1.43 3.84 -0.16 -4.88 114.94 116.14 1dx4 s ASN 493 Ca 0.14 -0.27 0.34 0.00 0.21 0.00 0.00 52.86 53.28 1dx4 s ASN 493 Cb 0.19 -2.56 1.97 0.00 -0.55 0.00 0.00 41.25 40.30 1dx4 s ASN 493 CO 0.56 -1.77 2.25 0.78 -2.79 0.00 0.00 177.10 176.13 1dx4 h ASN 494 N 10.10 0.00 0.60 -4.21 4.21 -1.86 -0.17 115.58 124.25 1dx4 h ASN 494 Ca -0.27 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.16 1dx4 h ASN 494 Cb 1.06 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 1dx4 h ASN 494 CO 1.25 0.00 -0.38 0.28 -1.29 0.00 0.00 177.43 177.29 1dx4 h SER 495 N 0.00 0.00 -3.34 5.81 0.02 -1.95 -3.42 113.55 110.66 1dx4 h SER 495 Ca 0.02 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.40 1dx4 h SER 495 Cb 0.13 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1dx4 h SER 495 CO -0.00 0.38 0.03 -0.76 -1.14 0.00 0.00 176.83 175.34 1dx4 s LEU 496 N -7.52 4.42 -0.24 5.07 1.43 -0.08 -5.03 118.68 116.74 1dx4 s LEU 496 Ca -0.01 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.03 1dx4 s LEU 496 Cb 0.13 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1dx4 s LEU 496 CO 0.70 0.08 1.41 -1.58 0.23 0.00 0.00 176.35 177.19 1dx4 s GLN 497 N -0.16 3.93 0.00 1.70 0.74 -1.26 -4.87 119.66 119.75 1dx4 s GLN 497 Ca 0.33 1.48 -0.16 0.00 0.05 0.00 0.00 55.36 57.06 1dx4 s GLN 497 Cb -0.19 -3.92 0.03 0.00 1.10 0.00 0.00 33.01 30.03 1dx4 s GLN 497 CO 0.19 -1.10 0.34 0.71 -0.55 0.00 0.00 175.29 174.87 1dx4 s TYR 498 N 4.50 -0.20 0.60 1.67 2.02 -1.26 -4.87 117.35 119.80 1dx4 s TYR 498 Ca 0.62 0.25 -0.16 0.00 -0.37 0.00 0.00 57.07 57.41 1dx4 s TYR 498 Cb -0.21 0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.45 1dx4 s TYR 498 CO 0.24 -0.45 1.07 1.03 -1.57 0.00 0.00 175.55 175.87 1dx4 s ARG 499 N -1.70 3.26 0.29 -0.62 0.52 -1.26 -4.84 118.95 114.60 1dx4 s ARG 499 Ca -0.11 1.24 0.03 0.00 -0.52 0.00 0.00 55.73 56.37 1dx4 s ARG 499 Cb -0.03 -2.02 0.63 0.00 0.52 0.00 0.00 34.95 34.04 1dx4 s ARG 499 CO 0.02 -0.86 1.79 -1.35 0.02 0.00 0.00 175.30 174.93 1dx4 h PRO 500 N 0.43 0.79 -0.36 3.54 0.11 -1.99 0.87 132.00 135.38 1dx4 h PRO 500 Ca -0.47 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1dx4 h PRO 500 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1dx4 h PRO 500 CO 0.57 0.52 -0.15 -0.39 -0.21 0.00 0.00 178.00 178.34 1dx4 h VAL 501 N 0.81 1.25 -0.00 3.15 -1.51 -1.98 -1.95 116.25 116.03 1dx4 h VAL 501 Ca 0.52 -1.17 -0.09 0.00 -1.23 0.00 0.00 66.70 64.74 1dx4 h VAL 501 Cb 0.70 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1dx4 h VAL 501 CO -0.34 0.39 -0.43 -0.33 -1.23 0.00 0.00 177.57 175.63 1dx4 h GLU 502 N 0.59 0.00 -0.00 5.19 5.08 -1.24 -1.10 114.58 123.10 1dx4 h GLU 502 Ca 0.10 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1dx4 h GLU 502 Cb 0.59 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1dx4 h GLU 502 CO 0.04 0.44 -0.71 0.00 -1.00 0.00 0.00 179.01 177.78 1dx4 h ARG 503 N 0.00 0.00 -0.25 2.33 3.08 -0.71 -1.35 114.38 117.49 1dx4 h ARG 503 Ca -0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1dx4 h ARG 503 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1dx4 h ARG 503 CO 0.06 0.71 -0.18 1.49 -1.07 0.00 0.00 179.97 180.97 1dx4 h GLU 504 N 0.00 0.56 -0.48 0.04 4.22 -0.65 -1.14 114.58 117.12 1dx4 h GLU 504 Ca -0.01 -0.27 -0.03 0.00 0.08 0.00 0.00 59.36 59.14 1dx4 h GLU 504 Cb 1.25 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1dx4 h GLU 504 CO 0.09 0.85 0.20 1.25 -2.18 0.00 0.00 179.01 179.22 1dx4 h LEU 505 N 0.27 0.66 -0.90 1.64 5.85 -1.13 -0.16 115.31 121.54 1dx4 h LEU 505 Ca 0.05 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1dx4 h LEU 505 Cb 0.71 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1dx4 h LEU 505 CO 0.05 0.64 0.55 1.23 -0.34 0.00 0.00 178.44 180.56 1dx4 h GLY 506 N 0.64 1.39 1.08 3.75 0.00 -1.13 0.29 103.07 109.08 1dx4 h GLY 506 Ca 0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1dx4 h GLY 506 CO -0.02 0.22 0.31 1.70 0.00 0.00 0.00 176.54 178.75 1dx4 h LYS 507 N 0.95 1.17 -0.06 4.80 3.64 -0.20 -1.09 116.57 125.78 1dx4 h LYS 507 Ca 0.41 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1dx4 h LYS 507 Cb 0.28 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1dx4 h LYS 507 CO -0.21 0.95 -0.07 0.00 -2.27 0.00 0.00 179.45 177.85 1dx4 h ARG 508 N 1.14 0.16 -0.08 1.90 3.08 0.58 -2.24 114.38 118.92 1dx4 h ARG 508 Ca 0.26 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1dx4 h ARG 508 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1dx4 h ARG 508 CO -0.02 0.61 -0.26 0.52 -1.07 0.00 0.00 179.97 179.75 1dx4 h MET 509 N -0.29 0.14 -0.26 0.04 2.86 -0.46 0.59 114.93 117.55 1dx4 h MET 509 Ca 0.01 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.42 1dx4 h MET 509 Cb 0.59 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1dx4 h MET 509 CO 0.02 0.40 -0.57 1.25 1.06 0.00 0.00 176.91 179.07 1dx4 h LEU 510 N 0.13 0.91 -1.04 1.22 7.12 -1.23 -2.91 115.31 119.51 1dx4 h LEU 510 Ca 0.02 -0.49 -0.09 0.00 0.13 0.00 0.00 57.88 57.44 1dx4 h LEU 510 Cb 0.54 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 1dx4 h LEU 510 CO 0.04 1.28 -0.35 0.28 -0.13 0.00 0.00 178.44 179.56 1dx4 h SER 511 N 0.62 0.24 -0.80 1.25 0.02 -0.72 -2.16 113.55 111.99 1dx4 h SER 511 Ca 0.01 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1dx4 h SER 511 Cb 1.17 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1dx4 h SER 511 CO 0.12 0.58 0.38 0.00 -1.14 0.00 0.00 176.83 176.78 1dx4 h ALA 512 N 1.44 1.04 0.25 3.77 0.00 -0.74 -1.18 119.26 123.83 1dx4 h ALA 512 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1dx4 h ALA 512 Cb 0.72 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dx4 h ALA 512 CO 0.05 0.60 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 1dx4 h VAL 513 N 1.14 0.81 -0.52 0.00 2.07 -1.22 -1.61 116.25 116.91 1dx4 h VAL 513 Ca 0.28 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1dx4 h VAL 513 Cb 0.12 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1dx4 h VAL 513 CO -0.03 0.08 0.34 0.40 0.02 0.00 0.00 177.57 178.38 1dx4 h ILE 514 N -0.53 1.13 -0.69 4.57 1.08 -1.29 0.32 117.51 122.10 1dx4 h ILE 514 Ca -0.03 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1dx4 h ILE 514 Cb 0.39 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1dx4 h ILE 514 CO 0.06 0.13 0.44 -0.33 -0.69 0.00 0.00 178.15 177.76 1dx4 h GLU 515 N 0.70 0.91 -0.23 2.37 4.39 -1.24 0.05 114.58 121.53 1dx4 h GLU 515 Ca 0.19 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1dx4 h GLU 515 Cb -0.08 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 1dx4 h GLU 515 CO -0.04 0.62 0.11 0.35 -1.16 0.00 0.00 179.01 178.89 1dx4 h PHE 516 N 0.93 0.33 0.00 4.33 3.57 -0.62 0.36 116.94 125.84 1dx4 h PHE 516 Ca 0.25 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1dx4 h PHE 516 Cb -0.08 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1dx4 h PHE 516 CO -0.02 0.33 -0.15 0.00 -2.23 0.00 0.00 178.31 176.24 1dx4 h ALA 517 N 0.97 1.61 0.06 2.41 0.00 -0.64 0.94 119.26 124.61 1dx4 h ALA 517 Ca 0.08 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1dx4 h ALA 517 Cb 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1dx4 h ALA 517 CO -0.01 0.18 -1.61 0.87 0.00 0.00 0.00 179.25 178.69 1dx4 h LYS 518 N 0.00 0.13 0.00 0.00 1.57 -0.23 -3.41 116.57 114.64 1dx4 h LYS 518 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1dx4 h LYS 518 Cb 0.29 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1dx4 h LYS 518 CO 0.02 0.89 0.00 0.25 -0.57 0.00 0.00 179.45 180.04 1dx4 n THR 519 N -3.29 0.14 -1.40 -0.16 -2.24 0.12 -4.97 114.28 102.47 1dx4 n THR 519 Ca -0.17 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1dx4 n THR 519 Cb 1.04 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 70.49 1dx4 n THR 519 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dx4 n GLY 520 N -0.07 1.18 2.85 3.38 0.00 0.32 -4.97 105.19 107.88 1dx4 n GLY 520 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 1dx4 n GLY 520 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dx4 s ASN 521 N -2.85 0.85 0.44 1.61 3.84 -1.23 -4.83 114.94 112.77 1dx4 s ASN 521 Ca 0.00 0.06 0.10 0.00 0.21 0.00 0.00 52.86 53.23 1dx4 s ASN 521 Cb 0.00 0.67 0.98 0.00 -0.55 0.00 0.00 41.25 42.34 1dx4 s ASN 521 CO 0.00 -0.30 2.08 1.55 -2.79 0.00 0.00 177.10 177.64 1dx4 h PRO 522 N 8.27 0.37 -6.53 0.43 0.13 -1.82 -3.20 132.00 129.64 1dx4 h PRO 522 Ca -0.17 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.40 1dx4 h PRO 522 Cb 1.15 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.20 1dx4 h PRO 522 CO 0.25 0.25 0.55 0.00 -0.23 0.00 0.00 178.00 178.83 1dx4 s ALA 523 N -5.34 3.40 0.24 -0.56 0.00 -1.26 -4.53 121.76 113.71 1dx4 s ALA 523 Ca -0.07 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1dx4 s ALA 523 Cb 0.17 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.90 1dx4 s ALA 523 CO 0.71 -0.40 0.31 0.00 0.00 0.00 0.00 175.76 176.38 1dx4 n GLN 524 N 3.51 0.89 -2.43 0.00 -0.00 -1.26 -5.00 117.38 113.10 1dx4 n GLN 524 Ca 0.07 -1.35 -0.32 0.00 -0.00 0.00 0.00 57.00 55.40 1dx4 n GLN 524 Cb 0.46 -0.05 -0.03 0.00 -0.00 0.00 0.00 30.24 30.61 1dx4 n GLN 524 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1dx4 s ASP 525 N -2.50 6.54 0.00 2.61 1.47 -1.26 -3.50 116.67 120.03 1dx4 s ASP 525 Ca 0.23 1.65 0.00 0.00 1.18 0.00 0.00 52.55 55.61 1dx4 s ASP 525 Cb -0.02 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 1dx4 s ASP 525 CO 0.15 -0.65 0.00 0.61 0.68 0.00 0.00 175.17 175.96 1dx4 n GLY 526 N -1.25 2.77 3.68 2.12 0.00 -1.26 -4.95 105.19 106.30 1dx4 n GLY 526 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1dx4 n GLY 526 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dx4 s GLU 527 N -0.07 3.90 -0.27 1.61 2.12 -1.23 -5.08 118.70 119.68 1dx4 s GLU 527 Ca 0.00 -0.30 -0.10 0.00 0.36 0.00 0.00 54.97 54.93 1dx4 s GLU 527 Cb 0.00 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 1dx4 s GLU 527 CO 0.00 0.36 0.17 -1.21 -0.54 0.00 0.00 175.26 174.04 1dx4 s GLU 528 N 0.14 3.91 -0.41 4.30 0.41 -1.26 -4.54 118.70 121.25 1dx4 s GLU 528 Ca 0.06 -0.34 0.04 0.00 -0.41 0.00 0.00 54.97 54.31 1dx4 s GLU 528 Cb -0.12 -3.59 0.17 0.00 -1.78 0.00 0.00 34.13 28.80 1dx4 s GLU 528 CO 0.00 -0.16 0.38 -0.46 -0.49 0.00 0.00 175.26 174.53 1dx4 s TRP 529 N 1.68 0.43 0.74 1.61 -0.11 -1.26 -4.97 118.94 117.06 1dx4 s TRP 529 Ca 0.07 -1.73 -0.15 0.00 1.22 0.00 0.00 56.10 55.50 1dx4 s TRP 529 Cb -0.16 -0.66 0.03 0.00 -1.50 0.00 0.00 33.47 31.19 1dx4 s TRP 529 CO 0.09 -0.91 1.17 -2.30 -4.62 0.00 0.00 176.95 170.38 1dx4 n PRO 530 N 3.28 0.56 -1.22 5.86 -0.02 -1.26 -4.82 135.00 137.37 1dx4 n PRO 530 Ca 0.22 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1dx4 n PRO 530 Cb 0.47 -2.42 0.11 0.00 -0.02 0.00 0.00 33.50 31.64 1dx4 n PRO 530 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1dx4 s ASN 531 N -1.76 3.89 -0.13 2.55 0.01 -1.26 -4.79 114.94 113.44 1dx4 s ASN 531 Ca 0.76 2.26 -0.05 0.00 -0.71 0.00 0.00 52.86 55.13 1dx4 s ASN 531 Cb -0.33 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.71 1dx4 s ASN 531 CO 0.47 -2.46 0.03 0.12 -1.51 0.00 0.00 177.10 173.75 1dx4 s PHE 532 N -2.25 3.22 0.18 2.20 2.19 0.30 -4.47 117.98 119.37 1dx4 s PHE 532 Ca 0.71 0.12 -0.14 0.00 0.33 0.00 0.00 56.93 57.95 1dx4 s PHE 532 Cb -0.26 -1.92 0.01 0.00 -1.31 0.00 0.00 43.02 39.54 1dx4 s PHE 532 CO 0.50 0.33 0.42 -1.54 1.83 0.00 0.00 175.22 176.76 1dx4 s SER 533 N -0.32 -0.13 0.25 6.13 1.04 -1.03 -4.53 113.70 115.11 1dx4 s SER 533 Ca 0.08 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 1dx4 s SER 533 Cb -0.12 0.52 0.30 0.00 0.10 0.00 0.00 66.02 66.82 1dx4 s SER 533 CO 0.02 -0.99 1.90 0.50 0.98 0.00 0.00 173.24 175.65 1dx4 h LYS 534 N 2.34 1.20 0.01 4.02 3.64 -1.90 -1.61 116.57 124.27 1dx4 h LYS 534 Ca -0.30 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1dx4 h LYS 534 Cb 1.25 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1dx4 h LYS 534 CO 0.42 0.79 -0.15 0.93 -2.27 0.00 0.00 179.45 179.17 1dx4 h GLU 535 N 1.23 -0.25 -3.00 1.90 3.07 -1.97 -3.35 114.58 112.21 1dx4 h GLU 535 Ca 0.38 0.02 -0.61 0.00 -0.50 0.00 0.00 59.36 58.65 1dx4 h GLU 535 Cb -0.03 0.06 -0.40 0.00 -0.84 0.00 0.00 28.75 27.54 1dx4 h GLU 535 CO -0.11 -0.17 -0.74 0.34 -1.40 0.00 0.00 179.01 176.93 1dx4 s ASP 536 N -4.98 3.63 -1.46 1.42 2.15 -1.04 -5.05 116.67 111.34 1dx4 s ASP 536 Ca -0.15 -2.56 -0.12 0.00 0.43 0.00 0.00 52.55 50.16 1dx4 s ASP 536 Cb 0.08 -1.00 0.04 0.00 -0.30 0.00 0.00 42.92 41.75 1dx4 s ASP 536 CO 0.66 -0.28 2.34 -0.81 -0.17 0.00 0.00 175.17 176.92 1dx4 n PRO 537 N 3.63 3.31 -2.88 4.34 -0.04 -0.63 -2.46 135.00 140.27 1dx4 n PRO 537 Ca 0.08 -2.74 -0.37 0.00 -0.04 0.00 0.00 63.50 60.44 1dx4 n PRO 537 Cb 0.35 -3.07 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 1dx4 n PRO 537 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dx4 s VAL 538 N 2.15 4.32 0.01 0.52 1.01 -1.26 -4.41 120.40 122.75 1dx4 s VAL 538 Ca 0.51 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1dx4 s VAL 538 Cb 0.14 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1dx4 s VAL 538 CO -0.07 0.14 -0.03 -0.72 0.00 0.00 0.00 175.10 174.43 1dx4 s TYR 539 N -1.61 0.24 -0.13 5.22 1.13 -1.25 -4.47 117.35 116.47 1dx4 s TYR 539 Ca 0.49 -0.30 -0.21 0.00 -1.41 0.00 0.00 57.07 55.64 1dx4 s TYR 539 Cb -0.18 -0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.49 1dx4 s TYR 539 CO 0.22 -0.09 0.61 -0.47 -2.51 0.00 0.00 175.55 173.31 1dx4 s TYR 540 N -0.82 3.49 -0.18 -3.49 5.04 -0.73 -2.48 117.35 118.17 1dx4 s TYR 540 Ca -0.08 1.03 -0.20 0.00 -2.44 0.00 0.00 57.07 55.37 1dx4 s TYR 540 Cb -0.06 -2.72 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 1dx4 s TYR 540 CO -0.00 0.02 0.60 0.42 -1.34 0.00 0.00 175.55 175.24 1dx4 s ILE 541 N 1.13 5.06 -0.33 3.14 -1.09 0.57 0.34 121.20 130.02 1dx4 s ILE 541 Ca 0.31 1.13 -0.13 0.00 -2.23 0.00 0.00 60.65 59.73 1dx4 s ILE 541 Cb -0.16 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1dx4 s ILE 541 CO 0.13 0.16 0.27 -0.36 -1.23 0.00 0.00 174.94 173.90 1dx4 s PHE 542 N 1.65 3.22 0.18 3.97 0.08 0.15 -4.86 117.98 122.37 1dx4 s PHE 542 Ca 0.28 -0.10 -0.18 0.00 0.12 0.00 0.00 56.93 57.06 1dx4 s PHE 542 Cb -0.16 -2.51 0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1dx4 s PHE 542 CO 0.11 -0.34 0.51 0.45 -0.10 0.00 0.00 175.22 175.84 1dx4 s SER 543 N 1.73 -0.27 0.07 1.36 0.15 -1.26 -1.52 113.70 113.96 1dx4 s SER 543 Ca 0.08 -0.44 0.18 0.00 0.70 0.00 0.00 55.95 56.48 1dx4 s SER 543 Cb -0.17 0.56 -0.12 0.00 -1.71 0.00 0.00 66.02 64.58 1dx4 s SER 543 CO 0.11 -1.02 0.81 0.35 1.20 0.00 0.00 173.24 174.69 1dx4 n THR 544 N -0.33 0.99 -2.07 6.45 -2.24 -1.26 -4.82 114.28 111.01 1dx4 n THR 544 Ca -0.11 -0.66 -0.43 0.00 -2.27 0.00 0.00 64.05 60.59 1dx4 n THR 544 Cb 0.63 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1dx4 n THR 544 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dx4 s ASP 545 N -5.59 6.48 0.00 3.42 -1.08 -1.26 -4.87 116.67 113.77 1dx4 s ASP 545 Ca -0.03 1.86 0.15 0.00 -0.52 0.00 0.00 52.55 54.01 1dx4 s ASP 545 Cb 0.09 -2.53 0.44 0.00 -1.46 0.00 0.00 42.92 39.46 1dx4 s ASP 545 CO 0.81 -1.14 1.36 -0.90 0.52 0.00 0.00 175.17 175.83 1dx4 n ASP 546 N 8.00 2.62 0.06 -0.34 5.75 -1.26 -3.95 116.55 127.42 1dx4 n ASP 546 Ca 0.18 -2.00 0.07 0.00 -0.01 0.00 0.00 54.79 53.04 1dx4 n ASP 546 Cb 0.44 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.16 1dx4 n ASP 546 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1dx4 n LYS 547 N 0.93 0.62 -1.84 0.11 5.02 -1.26 -4.94 118.16 116.80 1dx4 n LYS 547 Ca 0.16 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.27 1dx4 n LYS 547 Cb 0.41 -1.78 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1dx4 n LYS 547 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1dx4 s ILE 548 N -3.20 3.59 -0.18 -0.18 -5.25 -1.25 -5.02 121.20 109.71 1dx4 s ILE 548 Ca -0.03 0.52 -0.26 0.00 -0.99 0.00 0.00 60.65 59.90 1dx4 s ILE 548 Cb 0.10 -3.48 -0.01 0.00 2.95 0.00 0.00 42.46 42.02 1dx4 s ILE 548 CO 0.81 -0.68 0.85 -0.70 -1.79 0.00 0.00 174.94 173.44 1dx4 s GLU 549 N -5.31 4.28 0.31 0.37 2.56 -1.26 -4.97 118.70 114.68 1dx4 s GLU 549 Ca 0.58 1.04 0.07 0.00 0.00 0.00 0.00 54.97 56.66 1dx4 s GLU 549 Cb -0.11 -3.59 0.79 0.00 2.00 0.00 0.00 34.13 33.21 1dx4 s GLU 549 CO 0.52 -0.38 1.75 0.87 -0.56 0.00 0.00 175.26 177.46 1dx4 h LYS 550 N 7.39 0.65 -5.22 4.30 1.79 -1.95 -3.41 116.57 120.12 1dx4 h LYS 550 Ca -0.27 -0.04 -0.51 0.00 -2.18 0.00 0.00 60.65 57.65 1dx4 h LYS 550 Cb 1.12 -0.15 -0.30 0.00 -1.58 0.00 0.00 32.23 31.32 1dx4 h LYS 550 CO 0.85 0.43 -0.82 -0.48 -1.08 0.00 0.00 179.45 178.35 1dx4 s LEU 551 N -10.33 1.94 -0.08 2.94 2.34 -1.26 0.21 118.68 114.45 1dx4 s LEU 551 Ca -0.11 -0.28 -0.07 0.00 0.06 0.00 0.00 54.13 53.72 1dx4 s LEU 551 Cb 0.26 -0.80 0.02 0.00 -0.56 0.00 0.00 46.19 45.11 1dx4 s LEU 551 CO 0.80 0.15 0.22 0.00 -1.06 0.00 0.00 176.35 176.46 1dx4 s ALA 552 N -0.12 -0.53 -0.08 1.48 0.00 -1.04 -4.92 121.76 116.55 1dx4 s ALA 552 Ca 0.01 0.64 0.20 0.00 0.00 0.00 0.00 51.96 52.81 1dx4 s ALA 552 Cb -0.08 -0.38 -0.30 0.00 0.00 0.00 0.00 23.12 22.36 1dx4 s ALA 552 CO 0.00 -0.11 0.34 0.54 0.00 0.00 0.00 175.76 176.53 1dx4 n ARG 553 N 3.10 0.69 0.27 0.00 1.74 -1.26 -3.85 116.66 117.34 1dx4 n ARG 553 Ca -0.14 -0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 56.66 1dx4 n ARG 553 Cb 0.58 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.43 1dx4 n ARG 553 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1dx4 h GLY 554 N 3.89 -0.72 -0.08 -0.13 0.00 -1.97 -3.18 103.07 100.88 1dx4 h GLY 554 Ca -0.17 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1dx4 h GLY 554 CO 0.01 -0.26 -0.22 -2.55 0.00 0.00 0.00 176.54 173.52 1dx4 h PRO 555 N -0.91 -0.13 -0.64 4.80 0.11 -1.99 -0.48 132.00 132.77 1dx4 h PRO 555 Ca -0.07 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1dx4 h PRO 555 Cb 0.60 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1dx4 h PRO 555 CO 0.12 -0.08 0.08 -0.07 -0.21 0.00 0.00 178.00 177.83 1dx4 h LEU 556 N -0.13 1.04 -0.58 2.35 3.38 -1.89 -1.65 115.31 117.83 1dx4 h LEU 556 Ca 0.21 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1dx4 h LEU 556 Cb 0.46 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1dx4 h LEU 556 CO -0.52 1.05 0.34 0.00 0.09 0.00 0.00 178.44 179.39 1dx4 h ALA 557 N 1.03 0.75 0.12 1.53 0.00 -1.33 -0.38 119.26 120.98 1dx4 h ALA 557 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1dx4 h ALA 557 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dx4 h ALA 557 CO 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.25 1dx4 h ALA 558 N 1.28 -0.16 -0.22 0.00 0.00 -0.91 0.66 119.26 119.90 1dx4 h ALA 558 Ca 0.24 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1dx4 h ALA 558 Cb 0.08 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1dx4 h ALA 558 CO -0.13 -0.49 -0.29 0.00 0.00 0.00 0.00 179.25 178.35 1dx4 h ARG 559 N -0.38 -0.30 0.00 0.00 3.08 -0.96 -3.14 114.38 112.68 1dx4 h ARG 559 Ca -0.02 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1dx4 h ARG 559 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1dx4 h ARG 559 CO 0.03 -0.20 -0.40 0.00 -1.07 0.00 0.00 179.97 178.33 1dx4 h SER 561 N 0.00 0.00 -0.28 0.00 4.64 -0.81 0.29 113.55 117.39 1dx4 h SER 561 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1dx4 h SER 561 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1dx4 h SER 561 CO 0.04 0.00 0.06 0.15 -0.87 0.00 0.00 176.83 176.21 1dx4 h PHE 562 N 0.00 0.48 0.23 4.77 3.57 -1.66 -1.37 116.94 122.97 1dx4 h PHE 562 Ca 0.21 -0.06 -0.33 0.00 3.53 0.00 0.00 57.97 61.32 1dx4 h PHE 562 Cb 0.87 -0.13 0.03 0.00 2.79 0.00 0.00 35.95 39.51 1dx4 h PHE 562 CO 0.00 0.53 -1.46 -1.49 -2.23 0.00 0.00 178.31 173.66 1dx4 h TRP 563 N 0.29 0.90 -0.45 0.41 4.06 -1.16 -1.64 115.95 118.35 1dx4 h TRP 563 Ca 0.09 -0.66 0.00 0.00 2.06 0.00 0.00 58.89 60.38 1dx4 h TRP 563 Cb 0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1dx4 h TRP 563 CO 0.02 1.56 0.00 0.09 -3.56 0.00 0.00 178.44 176.55 1dx4 n ASN 564 N -3.74 4.09 0.20 -3.49 3.02 0.81 -4.31 115.26 111.83 1dx4 n ASN 564 Ca -0.18 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.86 1dx4 n ASN 564 Cb 1.07 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1dx4 n ASN 564 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1dx4 n ASP 565 N 0.62 -2.48 0.03 6.41 8.00 -0.55 -4.95 116.55 123.63 1dx4 n ASP 565 Ca 0.20 0.74 -0.01 0.00 0.71 0.00 0.00 54.79 56.43 1dx4 n ASP 565 Cb 0.82 2.40 -0.01 0.00 -0.02 0.00 0.00 41.12 44.32 1dx4 n ASP 565 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1dx4 h TYR 566 N 0.00 -0.08 -1.15 1.24 3.20 -1.49 -3.32 116.97 115.37 1dx4 h TYR 566 Ca 0.00 -0.00 0.39 0.00 3.14 0.00 0.00 58.73 62.25 1dx4 h TYR 566 Cb 0.00 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 38.16 1dx4 h TYR 566 CO 0.00 -0.05 0.70 1.25 -1.64 0.00 0.00 178.16 178.42 1dx4 h LEU 567 N -0.13 0.35 -2.04 2.82 5.85 -1.52 0.64 115.31 121.28 1dx4 h LEU 567 Ca -0.01 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1dx4 h LEU 567 Cb 0.07 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1dx4 h LEU 567 CO 0.01 -0.19 0.22 -0.65 -0.34 0.00 0.00 178.44 177.49 1dx4 h PRO 568 N 0.17 0.00 0.17 5.25 0.10 -1.75 0.59 132.00 136.52 1dx4 h PRO 568 Ca 0.78 0.00 -0.32 0.00 0.10 0.00 0.00 66.00 66.56 1dx4 h PRO 568 Cb 2.17 0.00 0.01 0.00 0.10 0.00 0.00 31.00 33.28 1dx4 h PRO 568 CO -0.52 0.00 -1.53 0.87 0.10 0.00 0.00 178.00 176.92 1dx4 h LYS 569 N 0.00 0.37 -0.54 1.05 1.57 0.17 -3.23 116.57 115.96 1dx4 h LYS 569 Ca 0.14 -0.63 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1dx4 h LYS 569 Cb 0.58 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1dx4 h LYS 569 CO -0.00 1.27 0.23 0.28 -0.57 0.00 0.00 179.45 180.66 1dx4 h VAL 570 N 0.10 1.19 -0.57 0.50 2.07 -1.09 -1.76 116.25 116.70 1dx4 h VAL 570 Ca -0.25 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 66.79 1dx4 h VAL 570 Cb 2.07 0.54 -0.11 0.00 -1.52 0.00 0.00 31.29 32.27 1dx4 h VAL 570 CO 0.20 0.24 -0.15 -0.09 0.02 0.00 0.00 177.57 177.79 1dx4 h ARG 571 N 0.77 -0.01 -5.20 1.57 2.43 -0.94 -3.37 114.38 109.63 1dx4 h ARG 571 Ca 0.19 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.09 1dx4 h ARG 571 Cb 0.14 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1dx4 h ARG 571 CO -0.02 -0.00 1.23 0.45 -1.51 0.00 0.00 179.97 180.12 1dx4 n SER 572 N -5.40 0.44 0.00 -3.80 2.88 -0.66 -5.04 113.62 102.04 1dx4 n SER 572 Ca 0.06 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 1dx4 n SER 572 Cb 0.30 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1dx4 n SER 572 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60