#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4g s ASP 1 N 0.00 6.55 0.01 3.17 1.11 -1.26 -4.35 116.67 121.91 1j4g s ASP 1 Ca 0.00 2.48 0.04 0.00 0.18 0.00 0.00 52.55 55.25 1j4g s ASP 1 Cb 0.00 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 1j4g s ASP 1 CO 0.00 -0.67 -0.13 -0.69 1.18 0.00 0.00 175.17 174.86 1j4g s VAL 2 N -1.31 1.04 0.16 -1.27 1.01 -0.71 -5.00 120.40 114.31 1j4g s VAL 2 Ca 0.55 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1j4g s VAL 2 Cb -0.34 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1j4g s VAL 2 CO 0.44 0.15 -0.19 -0.44 0.00 0.00 0.00 175.10 175.06 1j4g s SER 3 N -0.67 2.74 -0.11 3.32 0.01 -1.26 -0.82 113.70 116.91 1j4g s SER 3 Ca 0.03 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.38 1j4g s SER 3 Cb -0.06 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.04 1j4g s SER 3 CO 0.00 -0.01 0.27 0.12 0.41 0.00 0.00 173.24 174.04 1j4g s PHE 4 N -1.88 -0.33 -0.11 2.43 5.36 -0.32 -4.86 117.98 118.27 1j4g s PHE 4 Ca 0.15 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 56.91 1j4g s PHE 4 Cb -0.07 0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.69 1j4g s PHE 4 CO 0.07 -0.19 -0.14 1.03 -1.46 0.00 0.00 175.22 174.53 1j4g s ARG 5 N 0.63 3.21 0.18 10.12 0.52 -1.26 -1.85 118.95 130.50 1j4g s ARG 5 Ca -0.04 -0.69 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1j4g s ARG 5 Cb -0.05 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.85 1j4g s ARG 5 CO -0.04 0.29 1.41 -0.07 0.02 0.00 0.00 175.30 176.91 1j4g h LEU 6 N 6.45 0.00 -9.08 2.53 -0.00 -1.07 -3.36 115.31 110.78 1j4g h LEU 6 Ca -0.29 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.02 1j4g h LEU 6 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1j4g h LEU 6 CO 0.54 0.85 1.27 -0.55 -0.00 0.00 0.00 178.44 180.55 1j4g s SER 7 N -6.75 6.09 0.00 -0.43 0.15 -1.26 -0.80 113.70 110.70 1j4g s SER 7 Ca 0.00 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1j4g s SER 7 Cb 0.11 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1j4g s SER 7 CO 0.80 -1.45 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1j4g n GLY 8 N 5.00 0.54 3.76 9.45 0.00 -1.26 -5.02 105.19 117.67 1j4g n GLY 8 Ca 0.22 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1j4g n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4g s ALA 9 N -2.00 3.03 0.29 4.61 0.00 0.01 -5.01 121.76 122.69 1j4g s ALA 9 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1j4g s ALA 9 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1j4g s ALA 9 CO 0.00 -0.98 0.06 0.95 0.00 0.00 0.00 175.76 175.79 1j4g s THR 10 N -1.36 0.98 0.34 0.00 -4.23 -1.26 -5.00 115.64 105.11 1j4g s THR 10 Ca 0.64 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1j4g s THR 10 Cb -0.36 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.02 1j4g s THR 10 CO 0.45 -0.07 1.93 0.28 -0.54 0.00 0.00 174.62 176.66 1j4g h SER 11 N 2.27 0.60 -0.47 3.99 0.02 -1.95 -1.60 113.55 116.40 1j4g h SER 11 Ca -0.40 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 1j4g h SER 11 Cb 1.24 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1j4g h SER 11 CO 0.66 0.56 0.14 -1.28 -1.14 0.00 0.00 176.83 175.76 1j4g h SER 12 N 0.65 0.70 1.13 3.07 0.87 -1.95 -2.11 113.55 115.91 1j4g h SER 12 Ca 0.16 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1j4g h SER 12 Cb 0.16 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1j4g h SER 12 CO -0.01 0.73 -0.23 0.77 -0.53 0.00 0.00 176.83 177.56 1j4g h SER 13 N 0.63 0.00 -0.27 6.23 4.64 -1.80 -1.77 113.55 121.21 1j4g h SER 13 Ca 0.15 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1j4g h SER 13 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1j4g h SER 13 CO -0.00 0.23 -0.46 0.22 -0.87 0.00 0.00 176.83 175.94 1j4g h TYR 14 N 0.00 1.03 -0.44 4.77 3.20 -1.10 -1.90 116.97 122.53 1j4g h TYR 14 Ca -0.00 -0.34 -0.00 0.00 3.14 0.00 0.00 58.73 61.53 1j4g h TYR 14 Cb 0.86 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1j4g h TYR 14 CO 0.00 1.14 0.27 0.78 -1.64 0.00 0.00 178.16 178.72 1j4g h GLY 15 N 0.80 0.64 0.91 1.82 0.00 -1.00 -0.32 103.07 105.92 1j4g h GLY 15 Ca 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1j4g h GLY 15 CO 0.10 0.25 0.27 -2.08 0.00 0.00 0.00 176.54 175.09 1j4g h VAL 16 N 0.59 1.06 -0.08 4.60 2.07 -1.22 -0.61 116.25 122.66 1j4g h VAL 16 Ca 0.16 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1j4g h VAL 16 Cb -0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1j4g h VAL 16 CO -0.03 0.10 0.00 0.15 0.02 0.00 0.00 177.57 177.81 1j4g h PHE 17 N 0.55 -0.00 -0.73 1.57 3.57 -0.85 0.08 116.94 121.12 1j4g h PHE 17 Ca 0.18 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1j4g h PHE 17 Cb 0.00 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1j4g h PHE 17 CO -0.07 -0.01 0.22 0.82 -2.23 0.00 0.00 178.31 177.05 1j4g h ILE 18 N 0.03 1.26 -0.39 1.41 1.08 -0.85 0.13 117.51 120.18 1j4g h ILE 18 Ca 0.04 -0.91 0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1j4g h ILE 18 Cb 0.04 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1j4g h ILE 18 CO -0.06 0.36 0.25 -1.28 -0.69 0.00 0.00 178.15 176.73 1j4g h SER 19 N 1.09 0.43 0.06 1.72 0.87 -0.79 -1.13 113.55 115.81 1j4g h SER 19 Ca 0.24 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 1j4g h SER 19 Cb 0.31 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1j4g h SER 19 CO -0.01 0.31 -0.30 0.78 -0.53 0.00 0.00 176.83 177.09 1j4g h ASN 20 N 0.52 0.37 -0.26 6.23 2.35 -0.50 -1.79 115.58 122.50 1j4g h ASN 20 Ca 0.15 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1j4g h ASN 20 Cb -0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1j4g h ASN 20 CO -0.04 0.66 0.15 0.25 -1.65 0.00 0.00 177.43 176.80 1j4g h LEU 21 N 0.32 0.31 -0.50 1.61 5.85 -0.20 -0.14 115.31 122.57 1j4g h LEU 21 Ca 0.04 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1j4g h LEU 21 Cb 0.69 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1j4g h LEU 21 CO 0.05 0.27 0.32 0.03 -0.34 0.00 0.00 178.44 178.78 1j4g h ARG 22 N 0.32 0.66 0.00 1.25 3.08 -0.99 -1.98 114.38 116.72 1j4g h ARG 22 Ca 0.09 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1j4g h ARG 22 Cb 0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1j4g h ARG 22 CO -0.02 0.44 -0.12 0.87 -1.07 0.00 0.00 179.97 180.08 1j4g h LYS 23 N 0.67 0.00 0.00 0.04 1.57 -1.03 -2.53 116.57 115.29 1j4g h LYS 23 Ca 0.18 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1j4g h LYS 23 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1j4g h LYS 23 CO -0.04 0.12 -0.28 0.00 -0.57 0.00 0.00 179.45 178.68 1j4g h ALA 24 N 1.88 1.09 -2.40 3.86 0.00 -0.23 -3.43 119.26 120.04 1j4g h ALA 24 Ca -0.00 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 1j4g h ALA 24 Cb 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1j4g h ALA 24 CO 0.02 0.35 0.39 -0.51 0.00 0.00 0.00 179.25 179.49 1j4g s LEU 25 N -7.12 4.22 0.65 0.00 1.43 -0.95 -4.50 118.68 112.41 1j4g s LEU 25 Ca -0.01 1.28 -0.18 0.00 -1.03 0.00 0.00 54.13 54.20 1j4g s LEU 25 Cb 0.11 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 1j4g s LEU 25 CO 0.65 -0.37 1.23 -2.16 0.23 0.00 0.00 176.35 175.94 1j4g s PRO 26 N 1.88 2.63 0.03 1.29 0.04 -1.26 -5.02 135.00 134.59 1j4g s PRO 26 Ca 0.41 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 1j4g s PRO 26 Cb -0.17 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1j4g s PRO 26 CO 0.15 -1.49 -0.03 0.54 0.04 0.00 0.00 177.00 176.21 1j4g s ASN 27 N -1.66 0.39 -0.02 6.66 4.22 -1.26 -3.54 114.94 119.73 1j4g s ASN 27 Ca 0.78 -0.68 -0.21 0.00 -2.14 0.00 0.00 52.86 50.60 1j4g s ASN 27 Cb -0.32 0.13 -0.14 0.00 1.28 0.00 0.00 41.25 42.19 1j4g s ASN 27 CO 0.38 -0.40 0.95 -0.08 -2.04 0.00 0.00 177.10 175.92 1j4g h GLU 28 N 4.09 -0.39 0.00 3.55 4.81 -1.17 -3.46 114.58 122.01 1j4g h GLU 28 Ca -0.33 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1j4g h GLU 28 Cb 1.19 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1j4g h GLU 28 CO 0.50 -0.06 0.00 0.54 -0.73 0.00 0.00 179.01 179.26 1j4g n ARG 29 N -5.07 0.00 -5.19 1.92 1.74 -1.26 -5.05 116.66 103.76 1j4g n ARG 29 Ca -0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.68 1j4g n ARG 29 Cb 0.26 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.54 1j4g n ARG 29 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j4g s LYS 30 N -0.73 2.53 -0.17 5.56 1.02 -1.26 -1.83 119.74 124.86 1j4g s LYS 30 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1j4g s LYS 30 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1j4g s LYS 30 CO 0.00 0.43 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.54 1j4g s LEU 31 N -0.28 2.40 -1.49 3.17 2.96 -0.20 -4.53 118.68 120.71 1j4g s LEU 31 Ca 0.00 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.27 1j4g s LEU 31 Cb -0.13 -1.55 0.07 0.00 0.50 0.00 0.00 46.19 45.08 1j4g s LEU 31 CO 0.03 0.05 0.89 -1.22 -1.32 0.00 0.00 176.35 174.77 1j4g n TYR 32 N 4.30 -2.24 -1.70 5.38 4.01 -1.26 -0.61 117.16 125.05 1j4g n TYR 32 Ca -0.20 0.81 -0.19 0.00 -0.16 0.00 0.00 57.90 58.16 1j4g n TYR 32 Cb 0.51 -3.95 -0.07 0.00 -0.31 0.00 0.00 39.34 35.52 1j4g n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1j4g n ASP 33 N -2.73 -5.34 -4.28 7.72 2.03 -1.26 -4.99 116.55 107.70 1j4g n ASP 33 Ca 0.02 0.39 -0.33 0.00 0.52 0.00 0.00 54.79 55.39 1j4g n ASP 33 Cb 0.54 -4.50 -0.16 0.00 -0.72 0.00 0.00 41.12 36.28 1j4g n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j4g s ILE 34 N -2.75 2.51 0.23 5.18 1.09 0.22 -5.05 121.20 122.63 1j4g s ILE 34 Ca 0.00 -0.85 -0.32 0.00 -1.10 0.00 0.00 60.65 58.38 1j4g s ILE 34 Cb 0.00 -2.01 -0.12 0.00 -1.06 0.00 0.00 42.46 39.26 1j4g s ILE 34 CO 0.00 0.54 1.62 -2.65 -0.10 0.00 0.00 174.94 174.35 1j4g n PRO 35 N 3.61 2.56 -3.51 2.79 -0.02 -1.26 -1.03 135.00 138.14 1j4g n PRO 35 Ca -0.19 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1j4g n PRO 35 Cb 0.53 -2.71 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 1j4g n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j4g s LEU 36 N 0.49 4.79 0.71 2.45 2.96 -0.76 -0.75 118.68 128.57 1j4g s LEU 36 Ca 0.72 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 1j4g s LEU 36 Cb -0.55 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.04 1j4g s LEU 36 CO 0.40 -0.35 1.23 -0.76 -1.32 0.00 0.00 176.35 175.56 1j4g s LEU 37 N 1.68 3.38 0.39 -0.68 1.43 -1.26 -0.74 118.68 122.88 1j4g s LEU 37 Ca 0.05 2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 55.33 1j4g s LEU 37 Cb -0.18 -4.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.35 1j4g s LEU 37 CO 0.10 -2.22 1.14 -0.13 0.23 0.00 0.00 176.35 175.47 1j4g s ARG 38 N -3.77 4.12 0.04 1.70 1.81 -1.23 -4.54 118.95 117.07 1j4g s ARG 38 Ca 0.77 1.78 0.01 0.00 -1.72 0.00 0.00 55.73 56.57 1j4g s ARG 38 Cb -0.31 -2.69 -0.26 0.00 -0.45 0.00 0.00 34.95 31.24 1j4g s ARG 38 CO 0.44 -0.24 0.98 0.66 -0.68 0.00 0.00 175.30 176.45 1j4g h SER 39 N 2.71 0.25 -3.65 0.23 4.64 -1.93 -3.41 113.55 112.39 1j4g h SER 39 Ca -0.48 -0.32 -0.18 0.00 -0.47 0.00 0.00 61.79 60.33 1j4g h SER 39 Cb 1.23 -0.08 -0.27 0.00 -0.31 0.00 0.00 62.40 62.97 1j4g h SER 39 CO 0.63 1.27 -0.47 -0.94 -0.87 0.00 0.00 176.83 176.45 1j4g s SER 40 N -6.82 -0.24 0.00 4.97 1.04 -1.26 -4.99 113.70 106.40 1j4g s SER 40 Ca -0.05 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 1j4g s SER 40 Cb 0.08 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1j4g s SER 40 CO 0.85 -0.11 0.15 -0.76 0.98 0.00 0.00 173.24 174.34 1j4g s LEU 41 N 0.54 1.52 0.83 2.42 1.43 -1.26 -5.13 118.68 119.03 1j4g s LEU 41 Ca -0.03 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1j4g s LEU 41 Cb -0.05 0.71 0.09 0.00 0.03 0.00 0.00 46.19 46.97 1j4g s LEU 41 CO -0.03 -0.38 1.09 -2.16 0.23 0.00 0.00 176.35 175.10 1j4g s PRO 42 N -1.42 1.79 0.28 1.29 0.04 -1.26 -4.66 135.00 131.06 1j4g s PRO 42 Ca -0.15 1.06 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1j4g s PRO 42 Cb -0.07 -1.85 0.59 0.00 0.04 0.00 0.00 34.50 33.21 1j4g s PRO 42 CO 0.02 -1.94 1.77 0.78 0.04 0.00 0.00 177.00 177.67 1j4g h GLY 43 N -1.34 1.51 1.59 0.56 0.00 -2.00 -1.27 103.07 102.12 1j4g h GLY 43 Ca -0.46 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1j4g h GLY 43 CO 0.52 -0.04 0.19 1.48 0.00 0.00 0.00 176.54 178.68 1j4g h SER 44 N 0.67 0.00 0.00 0.19 4.64 -1.95 -2.28 113.55 114.81 1j4g h SER 44 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1j4g h SER 44 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1j4g h SER 44 CO -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.59 1j4g n GLN 45 N -2.73 1.24 0.10 4.77 6.02 -0.58 -4.79 117.38 121.42 1j4g n GLN 45 Ca -0.02 -0.27 0.13 0.00 -0.01 0.00 0.00 57.00 56.83 1j4g n GLN 45 Cb 0.24 -0.74 0.39 0.00 1.02 0.00 0.00 30.24 31.14 1j4g n GLN 45 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1j4g n ARG 46 N -0.26 0.26 -5.05 -1.09 0.63 -0.64 -4.83 116.66 105.69 1j4g n ARG 46 Ca 0.00 0.20 -0.28 0.00 -0.92 0.00 0.00 57.85 56.85 1j4g n ARG 46 Cb 0.03 -1.80 -0.16 0.00 0.45 0.00 0.00 32.46 30.99 1j4g n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1j4g s TYR 47 N -3.11 1.99 0.10 -0.14 2.02 -1.26 -1.14 117.35 115.81 1j4g s TYR 47 Ca 0.10 -0.48 0.10 0.00 -0.37 0.00 0.00 57.07 56.42 1j4g s TYR 47 Cb 0.12 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1j4g s TYR 47 CO 0.61 -0.11 -0.26 0.00 -1.57 0.00 0.00 175.55 174.22 1j4g s ALA 48 N -0.28 2.36 -0.06 3.71 0.00 -0.81 -4.51 121.76 122.18 1j4g s ALA 48 Ca 0.02 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 1j4g s ALA 48 Cb -0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1j4g s ALA 48 CO 0.01 0.54 -0.02 -0.51 0.00 0.00 0.00 175.76 175.78 1j4g s LEU 49 N -1.75 3.45 -0.14 0.00 1.02 -1.26 -1.42 118.68 118.57 1j4g s LEU 49 Ca 0.13 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.36 1j4g s LEU 49 Cb -0.10 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.30 1j4g s LEU 49 CO 0.05 0.35 -0.20 -0.63 0.02 0.00 0.00 176.35 175.94 1j4g s ILE 50 N -0.91 1.91 -0.24 -0.59 1.01 -0.42 -1.74 121.20 120.22 1j4g s ILE 50 Ca 0.14 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1j4g s ILE 50 Cb -0.11 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1j4g s ILE 50 CO 0.04 0.52 0.07 -1.00 0.00 0.00 0.00 174.94 174.57 1j4g s HIS 51 N 0.99 3.11 -0.08 3.97 3.76 0.00 -0.21 115.29 126.83 1j4g s HIS 51 Ca -0.04 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1j4g s HIS 51 Cb -0.15 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.31 1j4g s HIS 51 CO -0.05 -0.27 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.91 1j4g s LEU 52 N 1.40 2.59 -0.14 0.89 1.43 -0.11 -1.17 118.68 123.56 1j4g s LEU 52 Ca 0.05 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1j4g s LEU 52 Cb -0.15 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1j4g s LEU 52 CO 0.04 0.26 -0.20 -0.89 0.23 0.00 0.00 176.35 175.78 1j4g s THR 53 N -0.23 1.95 0.71 5.49 2.01 -0.77 -1.27 115.64 123.53 1j4g s THR 53 Ca 0.00 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 1j4g s THR 53 Cb -0.13 -1.74 0.16 0.00 0.01 0.00 0.00 72.50 70.80 1j4g s THR 53 CO 0.03 0.53 0.89 -0.46 -0.69 0.00 0.00 174.62 174.92 1j4g n ASN 54 N 4.17 -0.24 -0.04 3.53 0.23 0.08 -0.59 115.26 122.40 1j4g n ASN 54 Ca -0.20 -1.27 0.02 0.00 -0.53 0.00 0.00 54.58 52.60 1j4g n ASN 54 Cb 0.51 -0.70 0.34 0.00 -2.08 0.00 0.00 39.78 37.85 1j4g n ASN 54 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1j4g h TYR 55 N -1.67 0.60 0.00 -2.53 0.05 -1.89 -1.48 116.97 110.05 1j4g h TYR 55 Ca -0.30 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1j4g h TYR 55 Cb 0.83 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1j4g h TYR 55 CO 0.00 0.46 0.00 0.00 -1.05 0.00 0.00 178.16 177.57 1j4g n ALA 56 N -2.47 2.42 -2.23 3.88 0.00 -1.26 -4.76 120.51 116.09 1j4g n ALA 56 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1j4g n ALA 56 Cb 0.13 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1j4g n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j4g n ASP 57 N -0.47 -3.79 -4.76 0.00 2.03 -0.56 -5.01 116.55 103.99 1j4g n ASP 57 Ca 0.00 -0.01 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 1j4g n ASP 57 Cb 0.01 -3.01 -0.08 0.00 -0.72 0.00 0.00 41.12 37.32 1j4g n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j4g s GLU 58 N -4.59 3.14 0.05 -0.67 2.02 -1.26 -4.87 118.70 112.52 1j4g s GLU 58 Ca 0.00 -0.33 0.09 0.00 0.02 0.00 0.00 54.97 54.76 1j4g s GLU 58 Cb -0.00 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1j4g s GLU 58 CO 0.00 0.72 -0.26 0.99 0.02 0.00 0.00 175.26 176.73 1j4g s THR 59 N -0.97 2.20 0.06 3.63 2.01 -1.26 -0.74 115.64 120.57 1j4g s THR 59 Ca 0.15 -1.41 0.05 0.00 0.31 0.00 0.00 61.69 60.78 1j4g s THR 59 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1j4g s THR 59 CO 0.04 0.34 -0.14 0.27 -0.69 0.00 0.00 174.62 174.44 1j4g s ILE 60 N -0.84 1.08 0.02 1.82 -4.36 -0.40 -4.55 121.20 113.97 1j4g s ILE 60 Ca 0.12 -1.24 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 1j4g s ILE 60 Cb -0.10 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 1j4g s ILE 60 CO 0.03 -0.19 -0.05 -0.44 0.24 0.00 0.00 174.94 174.53 1j4g s SER 61 N -1.62 4.76 -0.11 4.36 0.01 -0.63 -0.94 113.70 119.53 1j4g s SER 61 Ca -0.02 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.13 1j4g s SER 61 Cb -0.10 -1.13 0.01 0.00 0.21 0.00 0.00 66.02 65.02 1j4g s SER 61 CO 0.02 0.26 -0.17 -0.69 0.41 0.00 0.00 173.24 173.07 1j4g s VAL 62 N -1.07 1.62 -0.16 3.43 1.01 0.70 -0.24 120.40 125.69 1j4g s VAL 62 Ca 0.19 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1j4g s VAL 62 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1j4g s VAL 62 CO 0.10 0.46 0.39 0.00 0.00 0.00 0.00 175.10 176.05 1j4g s ALA 63 N 0.90 3.54 0.09 5.51 0.00 -0.31 -1.30 121.76 130.19 1j4g s ALA 63 Ca -0.08 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 51.60 1j4g s ALA 63 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1j4g s ALA 63 CO -0.01 -0.05 -0.25 0.96 0.00 0.00 0.00 175.76 176.42 1j4g s ILE 64 N 0.75 2.06 -0.37 0.00 -5.25 -0.51 0.25 121.20 118.14 1j4g s ILE 64 Ca 0.21 -1.53 -0.23 0.00 -0.99 0.00 0.00 60.65 58.10 1j4g s ILE 64 Cb -0.14 -1.81 0.01 0.00 2.95 0.00 0.00 42.46 43.47 1j4g s ILE 64 CO 0.07 0.17 0.78 -0.62 -1.79 0.00 0.00 174.94 173.55 1j4g s ASP 65 N -1.65 6.54 0.05 4.36 -1.08 0.23 -1.92 116.67 123.20 1j4g s ASP 65 Ca 0.11 0.33 0.19 0.00 -0.52 0.00 0.00 52.55 52.66 1j4g s ASP 65 Cb -0.10 -2.39 0.80 0.00 -1.46 0.00 0.00 42.92 39.76 1j4g s ASP 65 CO 0.04 -0.73 1.60 1.33 0.52 0.00 0.00 175.17 177.93 1j4g n VAL 66 N 5.79 0.78 0.18 1.11 0.24 -0.30 0.34 118.33 126.47 1j4g n VAL 66 Ca 0.03 0.18 0.11 0.00 -2.04 0.00 0.00 64.34 62.61 1j4g n VAL 66 Cb 0.48 -0.92 0.10 0.00 -1.47 0.00 0.00 33.84 32.04 1j4g n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1j4g h THR 67 N 0.00 0.08 0.00 3.34 1.35 -1.79 -3.39 112.91 112.50 1j4g h THR 67 Ca 0.00 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1j4g h THR 67 Cb 0.33 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1j4g h THR 67 CO 0.00 0.05 0.00 -0.46 -0.25 0.00 0.00 175.52 174.86 1j4g n ASN 68 N -2.98 0.11 -1.42 5.36 0.23 -1.07 -4.71 115.26 110.78 1j4g n ASN 68 Ca 0.02 -1.04 -0.18 0.00 -0.53 0.00 0.00 54.58 52.86 1j4g n ASN 68 Cb 0.56 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.19 1j4g n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1j4g n VAL 69 N -0.02 -0.05 -3.06 3.53 0.31 0.15 -4.99 118.33 114.21 1j4g n VAL 69 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1j4g n VAL 69 Cb 0.36 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1j4g n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1j4g s TYR 70 N -2.68 3.76 0.01 3.52 2.02 -1.20 -4.66 117.35 118.11 1j4g s TYR 70 Ca 0.00 1.48 -0.30 0.00 -0.37 0.00 0.00 57.07 57.88 1j4g s TYR 70 Cb 0.00 -2.67 -0.04 0.00 -0.40 0.00 0.00 41.96 38.85 1j4g s TYR 70 CO 0.00 0.42 1.06 0.42 -1.57 0.00 0.00 175.55 175.88 1j4g s ILE 71 N -1.35 4.59 -0.13 2.71 -1.09 -1.26 -0.60 121.20 124.07 1j4g s ILE 71 Ca 0.39 1.86 0.13 0.00 -2.23 0.00 0.00 60.65 60.80 1j4g s ILE 71 Cb -0.19 -4.19 -0.24 0.00 -1.58 0.00 0.00 42.46 36.26 1j4g s ILE 71 CO 0.23 0.13 0.34 0.23 -1.23 0.00 0.00 174.94 174.63 1j4g n MET 72 N 4.05 0.67 -3.47 2.79 2.81 0.14 -4.93 117.12 119.17 1j4g n MET 72 Ca 0.07 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1j4g n MET 72 Cb 0.49 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1j4g n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j4g n GLY 73 N 1.71 -1.18 3.60 3.03 0.00 -1.23 -2.13 105.19 108.98 1j4g n GLY 73 Ca -0.26 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 1j4g n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j4g s TYR 74 N -3.00 0.37 -0.01 1.61 1.13 -0.14 -1.16 117.35 116.15 1j4g s TYR 74 Ca 0.00 -0.74 0.03 0.00 -1.41 0.00 0.00 57.07 54.95 1j4g s TYR 74 Cb 0.00 0.22 -0.00 0.00 -1.10 0.00 0.00 41.96 41.07 1j4g s TYR 74 CO 0.00 -1.03 -0.09 0.50 -2.51 0.00 0.00 175.55 172.42 1j4g s ARG 75 N -3.92 0.83 -0.24 -3.49 3.52 0.67 -0.80 118.95 115.53 1j4g s ARG 75 Ca 0.22 -0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1j4g s ARG 75 Cb -0.01 -0.80 0.07 0.00 -1.56 0.00 0.00 34.95 32.66 1j4g s ARG 75 CO 0.10 0.17 0.05 0.00 -0.81 0.00 0.00 175.30 174.81 1j4g s ALA 76 N -0.06 1.18 0.00 6.12 0.00 -0.07 -1.60 121.76 127.32 1j4g s ALA 76 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1j4g s ALA 76 Cb -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1j4g s ALA 76 CO -0.00 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.82 1j4g n GLY 77 N 4.99 3.69 0.52 0.00 0.00 -1.26 -2.19 105.19 110.93 1j4g n GLY 77 Ca -0.07 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1j4g n GLY 77 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4g n ASP 78 N 6.55 1.51 -4.19 1.61 3.85 -1.26 -4.84 116.55 119.78 1j4g n ASP 78 Ca 0.00 -1.95 -0.28 0.00 -0.71 0.00 0.00 54.79 51.85 1j4g n ASP 78 Cb 0.00 -0.18 -0.16 0.00 -1.35 0.00 0.00 41.12 39.43 1j4g n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1j4g s THR 79 N -1.65 1.70 0.08 2.12 2.01 -0.93 -1.80 115.64 117.17 1j4g s THR 79 Ca 0.21 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.39 1j4g s THR 79 Cb 0.11 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1j4g s THR 79 CO 0.15 0.48 -0.02 -0.94 -0.69 0.00 0.00 174.62 173.60 1j4g s SER 80 N -0.06 4.91 -0.08 3.53 1.04 0.50 -0.89 113.70 122.65 1j4g s SER 80 Ca -0.03 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1j4g s SER 80 Cb -0.12 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 64.87 1j4g s SER 80 CO 0.03 0.19 -0.06 -0.31 0.98 0.00 0.00 173.24 174.07 1j4g s TYR 81 N -1.25 1.10 0.08 5.02 1.51 0.02 0.08 117.35 123.91 1j4g s TYR 81 Ca 0.24 -0.43 0.09 0.00 -1.01 0.00 0.00 57.07 55.96 1j4g s TYR 81 Cb -0.12 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 1j4g s TYR 81 CO 0.16 -0.34 -0.25 -0.06 -1.11 0.00 0.00 175.55 173.95 1j4g s PHE 82 N 1.35 2.15 0.77 2.71 0.40 -0.30 -0.96 117.98 124.10 1j4g s PHE 82 Ca -0.03 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1j4g s PHE 82 Cb -0.14 -1.24 0.06 0.00 0.51 0.00 0.00 43.02 42.22 1j4g s PHE 82 CO -0.03 0.20 1.16 -0.06 0.70 0.00 0.00 175.22 177.19 1j4g s PHE 83 N -0.93 2.09 -1.26 0.36 0.08 -0.91 0.00 117.98 117.41 1j4g s PHE 83 Ca 0.11 1.64 -0.15 0.00 0.12 0.00 0.00 56.93 58.65 1j4g s PHE 83 Cb -0.10 -3.35 0.13 0.00 -0.57 0.00 0.00 43.02 39.14 1j4g s PHE 83 CO 0.04 -2.43 1.62 -1.71 -0.10 0.00 0.00 175.22 172.63 1j4g n ASN 84 N -3.15 5.05 -3.53 1.36 5.15 0.36 -4.60 115.26 115.90 1j4g n ASN 84 Ca 0.12 -2.97 -0.17 0.00 -0.60 0.00 0.00 54.58 50.97 1j4g n ASN 84 Cb 0.51 -1.62 -0.06 0.00 -0.53 0.00 0.00 39.78 38.08 1j4g n ASN 84 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1j4g s GLU 85 N 2.35 0.98 0.24 1.20 -1.05 -1.26 -4.00 118.70 117.16 1j4g s GLU 85 Ca 0.46 0.23 -0.14 0.00 -0.15 0.00 0.00 54.97 55.37 1j4g s GLU 85 Cb 0.01 0.46 0.29 0.00 -0.44 0.00 0.00 34.13 34.46 1j4g s GLU 85 CO 0.02 -0.31 1.57 0.00 0.95 0.00 0.00 175.26 177.50 1j4g h ALA 86 N 2.90 0.32 -0.91 -0.84 0.00 -2.00 -1.21 119.26 117.52 1j4g h ALA 86 Ca -0.25 0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1j4g h ALA 86 Cb 1.15 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1j4g h ALA 86 CO 0.38 -0.53 0.56 0.66 0.00 0.00 0.00 179.25 180.31 1j4g h SER 87 N -0.03 0.84 0.40 0.00 4.64 -1.97 -1.05 113.55 116.38 1j4g h SER 87 Ca 0.36 0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.55 1j4g h SER 87 Cb 0.62 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1j4g h SER 87 CO -0.90 0.49 -0.73 0.00 -0.87 0.00 0.00 176.83 174.82 1j4g h ALA 88 N 1.47 0.67 -0.59 5.18 0.00 -1.53 -1.33 119.26 123.13 1j4g h ALA 88 Ca 0.43 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1j4g h ALA 88 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1j4g h ALA 88 CO -0.23 0.80 0.27 1.15 0.00 0.00 0.00 179.25 181.24 1j4g h THR 89 N 0.18 1.22 -0.04 0.00 2.02 -0.50 -0.63 112.91 115.16 1j4g h THR 89 Ca -0.03 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1j4g h THR 89 Cb 1.29 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1j4g h THR 89 CO 0.12 0.25 0.02 -0.08 0.37 0.00 0.00 175.52 176.20 1j4g h GLU 90 N 0.80 0.05 -0.67 6.66 4.57 -1.18 -2.81 114.58 122.01 1j4g h GLU 90 Ca 0.20 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.50 1j4g h GLU 90 Cb 0.15 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1j4g h GLU 90 CO -0.02 0.10 0.45 0.00 -1.18 0.00 0.00 179.01 178.35 1j4g h ALA 91 N 0.95 2.07 0.00 2.92 0.00 -0.77 -1.82 119.26 122.61 1j4g h ALA 91 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j4g h ALA 91 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1j4g h ALA 91 CO -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1j4g n ALA 92 N -2.52 1.68 0.29 0.00 0.00 -0.29 -1.35 120.51 118.33 1j4g n ALA 92 Ca 0.12 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1j4g n ALA 92 Cb 0.45 -1.20 0.18 0.00 0.00 0.00 0.00 19.45 18.87 1j4g n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1j4g h LYS 93 N 0.00 0.00 -0.00 0.00 1.57 -1.41 -3.37 116.57 113.35 1j4g h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j4g h LYS 93 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1j4g h LYS 93 CO 0.00 0.00 -0.01 0.66 -0.57 0.00 0.00 179.45 179.53 1j4g n TYR 94 N -2.82 0.00 -4.13 -1.35 4.02 -0.45 -5.04 117.16 107.39 1j4g n TYR 94 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 1j4g n TYR 94 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.73 1j4g n TYR 94 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1j4g s VAL 95 N -0.36 0.33 -1.51 -0.72 -7.23 -1.10 -4.89 120.40 104.92 1j4g s VAL 95 Ca 0.01 -1.87 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 1j4g s VAL 95 Cb 0.00 -1.69 0.08 0.00 0.56 0.00 0.00 36.38 35.33 1j4g s VAL 95 CO 0.01 -0.84 1.01 0.49 -0.31 0.00 0.00 175.10 175.45 1j4g n PHE 96 N 0.02 -2.38 0.48 2.82 3.72 -1.26 -4.78 117.46 116.08 1j4g n PHE 96 Ca -0.12 0.91 0.11 0.00 -0.05 0.00 0.00 57.45 58.31 1j4g n PHE 96 Cb 0.62 -4.11 0.45 0.00 -0.94 0.00 0.00 39.48 35.50 1j4g n PHE 96 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1j4g n LYS 97 N -4.72 0.16 0.18 -1.08 4.76 -1.26 -2.46 118.16 113.74 1j4g n LYS 97 Ca 0.04 0.34 0.13 0.00 -2.87 0.00 0.00 58.31 55.95 1j4g n LYS 97 Cb 0.53 -1.78 0.28 0.00 -1.84 0.00 0.00 35.03 32.22 1j4g n LYS 97 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1j4g h ASP 98 N 0.00 0.00 -3.08 4.39 2.03 -2.00 -3.45 116.42 114.31 1j4g h ASP 98 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1j4g h ASP 98 Cb 0.41 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 1j4g h ASP 98 CO 0.00 0.00 0.70 0.00 -1.03 0.00 0.00 179.24 178.91 1j4g s ALA 99 N -3.18 3.50 -0.87 4.15 0.00 -1.03 -4.92 121.76 119.41 1j4g s ALA 99 Ca 0.08 0.62 0.26 0.00 0.00 0.00 0.00 51.96 52.93 1j4g s ALA 99 Cb 0.08 -3.52 0.75 0.00 0.00 0.00 0.00 23.12 20.44 1j4g s ALA 99 CO 0.63 -0.76 1.62 -1.33 0.00 0.00 0.00 175.76 175.92 1j4g n MET 100 N 5.20 0.12 -3.97 0.00 2.81 -0.74 -4.69 117.12 115.85 1j4g n MET 100 Ca 0.11 0.06 -0.30 0.00 -1.81 0.00 0.00 57.70 55.76 1j4g n MET 100 Cb 0.46 -1.60 -0.16 0.00 -0.71 0.00 0.00 33.22 31.21 1j4g n MET 100 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1j4g s ARG 101 N -3.06 1.80 -0.19 0.03 0.52 -0.77 -5.05 118.95 112.23 1j4g s ARG 101 Ca 0.11 -0.94 -0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1j4g s ARG 101 Cb 0.16 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 1j4g s ARG 101 CO 0.63 -0.53 0.00 0.21 0.02 0.00 0.00 175.30 175.64 1j4g s LYS 102 N 1.38 3.69 -0.08 3.54 2.20 -1.26 -0.37 119.74 128.84 1j4g s LYS 102 Ca -0.04 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 1j4g s LYS 102 Cb -0.18 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1j4g s LYS 102 CO -0.07 0.10 -0.21 0.08 -0.36 0.00 0.00 175.35 174.89 1j4g s VAL 103 N 0.76 2.38 -0.28 4.02 1.01 0.11 -4.95 120.40 123.45 1j4g s VAL 103 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1j4g s VAL 103 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1j4g s VAL 103 CO 0.02 0.56 0.27 -0.89 0.00 0.00 0.00 175.10 175.06 1j4g s THR 104 N -0.07 5.25 0.77 3.92 2.01 -1.26 -1.16 115.64 125.11 1j4g s THR 104 Ca -0.05 0.32 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 1j4g s THR 104 Cb -0.14 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.82 1j4g s THR 104 CO 0.04 0.20 1.22 -0.76 -0.69 0.00 0.00 174.62 174.64 1j4g s LEU 105 N 1.89 3.24 0.32 4.42 1.43 0.10 -4.91 118.68 125.16 1j4g s LEU 105 Ca 0.10 2.42 0.02 0.00 -1.03 0.00 0.00 54.13 55.64 1j4g s LEU 105 Cb -0.16 -4.59 0.52 0.00 0.03 0.00 0.00 46.19 41.99 1j4g s LEU 105 CO 0.11 -2.51 1.87 -0.65 0.23 0.00 0.00 176.35 175.39 1j4g h PRO 106 N -0.58 0.68 -5.79 1.29 0.11 -1.97 -3.30 132.00 122.44 1j4g h PRO 106 Ca -0.47 -0.13 -0.59 0.00 0.11 0.00 0.00 66.00 64.92 1j4g h PRO 106 Cb 1.30 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1j4g h PRO 106 CO 0.48 0.63 -0.44 1.52 -0.21 0.00 0.00 178.00 179.98 1j4g s TYR 107 N -5.15 2.20 0.33 0.65 -0.85 -1.26 -4.75 117.35 108.52 1j4g s TYR 107 Ca -0.09 -0.72 -0.03 0.00 -0.52 0.00 0.00 57.07 55.71 1j4g s TYR 107 Cb 0.16 -1.89 0.07 0.00 0.38 0.00 0.00 41.96 40.68 1j4g s TYR 107 CO 0.78 -0.00 0.45 -1.13 -1.52 0.00 0.00 175.55 174.13 1j4g n SER 108 N -1.40 0.32 -0.38 -0.18 3.41 -1.26 -0.49 113.62 113.64 1j4g n SER 108 Ca -0.04 -1.34 0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1j4g n SER 108 Cb 0.65 -0.32 0.21 0.00 -0.26 0.00 0.00 64.21 64.49 1j4g n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j4g n GLY 109 N 1.80 -0.26 3.69 5.00 0.00 -1.26 -4.58 105.19 109.58 1j4g n GLY 109 Ca 0.07 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1j4g n GLY 109 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j4g n ASN 110 N -0.29 2.71 -0.03 1.61 2.85 -1.26 -4.81 115.26 116.04 1j4g n ASN 110 Ca 0.11 1.19 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 1j4g n ASN 110 Cb 0.41 -1.47 0.30 0.00 1.24 0.00 0.00 39.78 40.26 1j4g n ASN 110 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1j4g h TYR 111 N 2.87 0.60 -0.55 1.20 0.05 -1.98 0.49 116.97 119.65 1j4g h TYR 111 Ca -0.46 -0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.16 1j4g h TYR 111 Cb 1.28 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 1j4g h TYR 111 CO 0.52 0.53 -0.12 0.93 -1.05 0.00 0.00 178.16 178.97 1j4g h GLU 112 N 0.58 1.04 -0.55 4.88 3.07 -1.99 -0.28 114.58 121.33 1j4g h GLU 112 Ca 0.13 -0.39 -0.10 0.00 -0.50 0.00 0.00 59.36 58.50 1j4g h GLU 112 Cb 0.24 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1j4g h GLU 112 CO -0.00 1.08 -0.04 0.00 -1.40 0.00 0.00 179.01 178.65 1j4g h ARG 113 N 0.92 1.00 -0.38 2.33 2.47 -1.83 -1.97 114.38 116.91 1j4g h ARG 113 Ca 0.14 -0.34 -0.08 0.00 -1.26 0.00 0.00 59.98 58.44 1j4g h ARG 113 Cb 0.69 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1j4g h ARG 113 CO 0.05 1.02 -0.08 -0.07 0.56 0.00 0.00 179.97 181.45 1j4g h LEU 114 N 0.87 0.73 -0.86 3.04 3.38 -0.70 -1.34 115.31 120.44 1j4g h LEU 114 Ca 0.15 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1j4g h LEU 114 Cb 0.60 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1j4g h LEU 114 CO 0.04 0.92 0.31 1.56 0.09 0.00 0.00 178.44 181.35 1j4g h GLN 115 N 0.54 1.14 -0.20 1.13 4.20 -1.02 0.58 115.11 121.48 1j4g h GLN 115 Ca 0.10 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1j4g h GLN 115 Cb 0.59 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1j4g h GLN 115 CO 0.03 0.92 0.09 1.15 -0.67 0.00 0.00 178.83 180.36 1j4g h THR 116 N 1.11 1.14 -0.37 -0.54 2.02 -1.16 0.38 112.91 115.49 1j4g h THR 116 Ca 0.26 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1j4g h THR 116 Cb 0.21 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1j4g h THR 116 CO -0.02 0.14 0.04 0.00 0.37 0.00 0.00 175.52 176.04 1j4g h ALA 117 N 0.95 1.37 0.00 6.16 0.00 -0.94 -2.31 119.26 124.50 1j4g h ALA 117 Ca 0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1j4g h ALA 117 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1j4g h ALA 117 CO -0.01 0.44 -0.76 0.00 0.00 0.00 0.00 179.25 178.92 1j4g h ALA 118 N 1.50 0.64 -0.13 0.00 0.00 -0.58 -3.47 119.26 117.21 1j4g h ALA 118 Ca 0.12 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1j4g h ALA 118 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j4g h ALA 118 CO 0.01 0.95 -0.05 0.41 0.00 0.00 0.00 179.25 180.56 1j4g n GLY 119 N 0.90 0.60 3.04 0.00 0.00 0.13 -4.91 105.19 104.95 1j4g n GLY 119 Ca -0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1j4g n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4g s LYS 120 N -1.79 0.39 0.12 1.61 1.02 -1.00 -5.03 119.74 115.08 1j4g s LYS 120 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1j4g s LYS 120 Cb 0.00 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1j4g s LYS 120 CO 0.00 -0.08 0.24 0.96 -0.92 0.00 0.00 175.35 175.55 1j4g s ILE 121 N -1.51 5.20 0.32 2.17 -4.36 -1.26 -4.45 121.20 117.30 1j4g s ILE 121 Ca -0.15 -0.66 0.08 0.00 -0.26 0.00 0.00 60.65 59.66 1j4g s ILE 121 Cb -0.08 -3.63 0.31 0.00 1.25 0.00 0.00 42.46 40.30 1j4g s ILE 121 CO -0.00 -0.02 1.75 0.03 0.24 0.00 0.00 174.94 176.94 1j4g h ARG 122 N 2.47 0.63 -0.37 0.37 3.08 -1.96 -0.25 114.38 118.35 1j4g h ARG 122 Ca -0.47 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.65 1j4g h ARG 122 Cb 1.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1j4g h ARG 122 CO 0.70 0.42 0.46 0.93 -1.07 0.00 0.00 179.97 181.40 1j4g h GLU 123 N 0.65 0.00 -0.49 0.04 3.07 -1.95 -1.55 114.58 114.35 1j4g h GLU 123 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1j4g h GLU 123 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1j4g h GLU 123 CO -0.43 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.27 1j4g n ASN 124 N -3.58 3.38 -4.34 1.42 3.02 -0.10 -4.37 115.26 110.69 1j4g n ASN 124 Ca 0.07 -2.04 -0.36 0.00 -0.03 0.00 0.00 54.58 52.22 1j4g n ASN 124 Cb 0.62 -0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 39.32 1j4g n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j4g s ILE 125 N -1.07 3.72 0.44 2.41 -1.09 -0.58 -4.97 121.20 120.05 1j4g s ILE 125 Ca 0.34 -0.53 -0.25 0.00 -2.23 0.00 0.00 60.65 57.97 1j4g s ILE 125 Cb 0.18 -2.79 -0.09 0.00 -1.58 0.00 0.00 42.46 38.18 1j4g s ILE 125 CO 0.22 0.28 1.38 -2.65 -1.23 0.00 0.00 174.94 172.94 1j4g n PRO 126 N 4.83 2.16 -4.59 2.79 -0.02 -1.26 -4.52 135.00 134.39 1j4g n PRO 126 Ca -0.16 0.77 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 1j4g n PRO 126 Cb 0.50 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 1j4g n PRO 126 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j4g s LEU 127 N -2.35 2.15 0.00 2.45 1.43 0.61 -4.87 118.68 118.10 1j4g s LEU 127 Ca 0.61 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1j4g s LEU 127 Cb -0.47 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1j4g s LEU 127 CO 0.58 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1j4g n GLY 128 N -1.01 2.98 0.31 -3.19 0.00 -1.26 -1.25 105.19 101.77 1j4g n GLY 128 Ca -0.10 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.93 1j4g n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4g h LEU 129 N 0.00 0.73 -1.32 0.99 3.38 -0.95 -1.73 115.31 116.41 1j4g h LEU 129 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1j4g h LEU 129 Cb 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1j4g h LEU 129 CO 0.00 0.42 0.10 -0.65 0.09 0.00 0.00 178.44 178.40 1j4g h PRO 130 N 0.84 0.56 -0.38 1.13 0.11 -1.76 -1.40 132.00 131.10 1j4g h PRO 130 Ca 0.40 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 1j4g h PRO 130 Cb 0.34 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1j4g h PRO 130 CO -0.24 0.51 -0.02 0.00 -0.21 0.00 0.00 178.00 178.04 1j4g h ALA 131 N 1.56 1.25 -0.32 -0.75 0.00 -1.59 -1.17 119.26 118.24 1j4g h ALA 131 Ca 0.13 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1j4g h ALA 131 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1j4g h ALA 131 CO -0.00 0.50 -0.31 1.25 0.00 0.00 0.00 179.25 180.68 1j4g h LEU 132 N 0.58 0.83 -0.23 0.00 5.85 -0.78 -0.68 115.31 120.88 1j4g h LEU 132 Ca 0.12 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1j4g h LEU 132 Cb 0.40 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1j4g h LEU 132 CO 0.02 1.12 -0.06 -0.78 -0.34 0.00 0.00 178.44 178.40 1j4g h ASP 133 N 0.54 -0.23 -0.92 1.25 3.58 -0.92 -0.40 116.42 119.32 1j4g h ASP 133 Ca 0.05 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.62 1j4g h ASP 133 Cb 0.89 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 42.03 1j4g h ASP 133 CO 0.08 -0.08 0.60 0.28 -2.88 0.00 0.00 179.24 177.24 1j4g h SER 134 N -0.01 0.97 -0.51 2.28 0.02 -1.00 -0.87 113.55 114.43 1j4g h SER 134 Ca 0.11 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 1j4g h SER 134 Cb 0.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1j4g h SER 134 CO -0.24 0.65 -0.10 0.00 -1.14 0.00 0.00 176.83 176.00 1j4g h ALA 135 N 1.48 0.70 -0.58 3.77 0.00 -0.72 -1.70 119.26 122.22 1j4g h ALA 135 Ca 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1j4g h ALA 135 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1j4g h ALA 135 CO -0.13 0.59 0.25 0.82 0.00 0.00 0.00 179.25 180.79 1j4g h ILE 136 N 0.82 1.22 -0.22 0.00 1.08 -0.15 -1.20 117.51 119.06 1j4g h ILE 136 Ca 0.13 -0.64 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1j4g h ILE 136 Cb 0.65 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1j4g h ILE 136 CO 0.04 0.25 0.08 0.74 -0.69 0.00 0.00 178.15 178.58 1j4g h THR 137 N 0.79 0.96 -0.64 -0.27 2.02 -1.00 0.13 112.91 114.89 1j4g h THR 137 Ca 0.19 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1j4g h THR 137 Cb 0.16 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1j4g h THR 137 CO -0.02 0.03 0.41 0.74 0.37 0.00 0.00 175.52 177.05 1j4g h THR 138 N 0.19 1.12 -0.05 3.16 2.02 -1.06 -1.72 112.91 116.57 1j4g h THR 138 Ca 0.09 -0.28 -0.20 0.00 0.77 0.00 0.00 66.41 66.80 1j4g h THR 138 Cb 0.05 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1j4g h THR 138 CO -0.09 0.15 -0.80 -0.07 0.37 0.00 0.00 175.52 175.08 1j4g h LEU 139 N 0.82 0.47 -1.41 2.58 3.38 -0.91 -2.90 115.31 117.33 1j4g h LEU 139 Ca 0.25 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1j4g h LEU 139 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1j4g h LEU 139 CO -0.08 1.09 -0.25 0.15 0.09 0.00 0.00 178.44 179.44 1j4g h PHE 140 N 0.24 0.07 -2.02 1.13 3.57 -0.48 -2.55 116.94 116.91 1j4g h PHE 140 Ca -0.04 -0.01 -0.67 0.00 3.53 0.00 0.00 57.97 60.77 1j4g h PHE 140 Cb 1.39 -0.02 -0.36 0.00 2.79 0.00 0.00 35.95 39.76 1j4g h PHE 140 CO 0.05 0.31 0.04 0.66 -2.23 0.00 0.00 178.31 177.14 1j4g n TYR 141 N -4.22 3.40 -1.04 0.41 4.01 -0.67 -4.96 117.16 114.10 1j4g n TYR 141 Ca -0.02 -3.12 -0.40 0.00 -0.16 0.00 0.00 57.90 54.20 1j4g n TYR 141 Cb 0.32 -0.67 -0.05 0.00 -0.31 0.00 0.00 39.34 38.63 1j4g n TYR 141 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1j4g n TYR 142 N -0.32 0.30 -3.66 -0.72 9.36 -0.96 -4.88 117.16 116.29 1j4g n TYR 142 Ca 0.41 0.73 -0.20 0.00 3.32 0.00 0.00 57.90 62.16 1j4g n TYR 142 Cb 0.40 -1.44 -0.17 0.00 -0.63 0.00 0.00 39.34 37.49 1j4g n TYR 142 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1j4g s ASN 143 N -0.13 1.26 0.41 2.98 2.47 -1.26 -5.06 114.94 115.61 1j4g s ASN 143 Ca 0.60 0.01 0.26 0.00 0.42 0.00 0.00 52.86 54.15 1j4g s ASN 143 Cb -0.84 -0.06 1.34 0.00 -1.45 0.00 0.00 41.25 40.24 1j4g s ASN 143 CO 0.40 -0.27 1.64 0.00 -3.72 0.00 0.00 177.10 175.15 1j4g h ALA 144 N 8.42 2.52 -0.35 1.71 0.00 -1.98 -0.68 119.26 128.90 1j4g h ALA 144 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j4g h ALA 144 Cb 1.12 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1j4g h ALA 144 CO 0.17 -1.15 0.00 -1.71 0.00 0.00 0.00 179.25 176.57 1j4g n ASN 145 N -4.80 2.79 0.00 0.00 5.15 -1.26 -4.14 115.26 113.01 1j4g n ASN 145 Ca 0.35 -1.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.43 1j4g n ASN 145 Cb 1.31 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 40.33 1j4g n ASN 145 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1j4g n SER 146 N 1.05 0.07 -0.11 1.20 3.41 -0.31 -4.82 113.62 114.11 1j4g n SER 146 Ca 0.18 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 58.21 1j4g n SER 146 Cb 0.49 0.78 0.03 0.00 -0.26 0.00 0.00 64.21 65.25 1j4g n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j4g h ALA 147 N 0.00 0.71 0.03 7.33 0.00 -1.59 -3.23 119.26 122.51 1j4g h ALA 147 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1j4g h ALA 147 Cb 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1j4g h ALA 147 CO 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.89 1j4g h ALA 148 N 0.91 -0.05 -0.74 0.00 0.00 -1.88 0.14 119.26 117.65 1j4g h ALA 148 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1j4g h ALA 148 Cb 0.87 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1j4g h ALA 148 CO 0.08 -0.53 0.41 1.03 0.00 0.00 0.00 179.25 180.24 1j4g h SER 149 N -0.05 0.60 -0.76 0.00 0.87 -1.86 -1.12 113.55 111.23 1j4g h SER 149 Ca -0.00 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1j4g h SER 149 Cb 0.05 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1j4g h SER 149 CO 0.00 0.37 0.29 0.00 -0.53 0.00 0.00 176.83 176.97 1j4g h ALA 150 N 1.40 1.07 -0.69 6.23 0.00 -1.42 -2.19 119.26 123.67 1j4g h ALA 150 Ca 0.34 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1j4g h ALA 150 Cb 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1j4g h ALA 150 CO -0.21 0.65 0.20 -0.07 0.00 0.00 0.00 179.25 179.82 1j4g h LEU 151 N 1.12 1.00 -1.14 0.00 3.38 0.12 0.33 115.31 120.12 1j4g h LEU 151 Ca 0.25 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1j4g h LEU 151 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1j4g h LEU 151 CO -0.02 0.94 -0.09 0.24 0.09 0.00 0.00 178.44 179.60 1j4g h MET 152 N 1.03 0.50 -0.21 1.13 2.86 -0.74 0.16 114.93 119.66 1j4g h MET 152 Ca 0.22 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1j4g h MET 152 Cb 0.31 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1j4g h MET 152 CO -0.01 0.60 0.00 0.28 1.06 0.00 0.00 176.91 178.84 1j4g h VAL 153 N 0.47 1.25 -0.14 -2.22 2.07 -0.79 -2.49 116.25 114.40 1j4g h VAL 153 Ca 0.09 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1j4g h VAL 153 Cb 0.44 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1j4g h VAL 153 CO 0.02 0.26 -0.07 0.25 0.02 0.00 0.00 177.57 178.05 1j4g h LEU 154 N 0.13 -0.24 -0.27 2.57 5.85 -0.26 -0.84 115.31 122.25 1j4g h LEU 154 Ca 0.06 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1j4g h LEU 154 Cb 0.39 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1j4g h LEU 154 CO 0.01 -0.10 0.04 0.40 -0.34 0.00 0.00 178.44 178.45 1j4g h ILE 155 N -0.06 0.86 -0.03 4.05 1.08 -0.73 -1.80 117.51 120.88 1j4g h ILE 155 Ca 0.08 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.41 1j4g h ILE 155 Cb 0.18 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1j4g h ILE 155 CO -0.18 0.02 -0.40 1.56 -0.69 0.00 0.00 178.15 178.46 1j4g h GLN 156 N 0.13 0.06 0.00 2.37 4.20 -1.25 0.01 115.11 120.63 1j4g h GLN 156 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1j4g h GLN 156 Cb 0.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1j4g h GLN 156 CO -0.18 0.46 0.00 0.43 -0.67 0.00 0.00 178.83 178.87 1j4g n SER 157 N -4.05 0.54 0.00 1.46 7.64 -0.34 -2.24 113.62 116.63 1j4g n SER 157 Ca -0.02 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1j4g n SER 157 Cb 0.44 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1j4g n SER 157 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j4g n THR 158 N -2.02 0.00 0.01 0.44 -2.24 -0.71 -4.62 114.28 105.13 1j4g n THR 158 Ca 0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1j4g n THR 158 Cb 0.37 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 1j4g n THR 158 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1j4g h SER 159 N 0.00 -0.45 -0.35 3.42 0.02 -1.23 0.73 113.55 115.68 1j4g h SER 159 Ca 0.00 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1j4g h SER 159 Cb 0.00 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1j4g h SER 159 CO 0.00 -0.19 -0.21 -0.33 -1.14 0.00 0.00 176.83 174.95 1j4g h GLU 160 N -0.19 0.85 -0.67 3.45 4.39 -1.49 -1.70 114.58 119.22 1j4g h GLU 160 Ca 0.09 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1j4g h GLU 160 Cb 0.32 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1j4g h GLU 160 CO -0.22 0.98 0.33 0.00 -1.16 0.00 0.00 179.01 178.94 1j4g h ALA 161 N 1.02 0.86 -0.14 3.43 0.00 -1.25 -1.74 119.26 121.44 1j4g h ALA 161 Ca 0.10 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1j4g h ALA 161 Cb 0.75 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1j4g h ALA 161 CO 0.06 0.42 -0.24 0.00 0.00 0.00 0.00 179.25 179.49 1j4g h ALA 162 N 1.15 1.35 0.00 0.00 0.00 -0.48 -3.04 119.26 118.24 1j4g h ALA 162 Ca 0.23 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1j4g h ALA 162 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j4g h ALA 162 CO -0.03 0.45 -0.60 0.00 0.00 0.00 0.00 179.25 179.07 1j4g h ARG 163 N 0.22 0.00 -3.89 0.00 3.08 -0.93 -3.40 114.38 109.46 1j4g h ARG 163 Ca 0.04 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.63 1j4g h ARG 163 Cb 0.55 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.22 1j4g h ARG 163 CO 0.04 0.60 -0.78 0.71 -1.07 0.00 0.00 179.97 179.47 1j4g s TYR 164 N -3.14 0.91 0.40 3.04 2.02 -0.69 0.08 117.35 119.96 1j4g s TYR 164 Ca 0.02 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 1j4g s TYR 164 Cb 0.10 -0.91 0.83 0.00 -0.40 0.00 0.00 41.96 41.57 1j4g s TYR 164 CO 0.75 -0.37 2.02 0.87 -1.57 0.00 0.00 175.55 177.25 1j4g h LYS 165 N 8.16 0.60 -0.55 -0.62 1.57 -0.77 -1.31 116.57 123.65 1j4g h LYS 165 Ca -0.24 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1j4g h LYS 165 Cb 1.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1j4g h LYS 165 CO 0.32 0.40 -0.01 0.35 -0.57 0.00 0.00 179.45 179.94 1j4g h PHE 166 N 0.62 1.03 -0.27 -1.35 3.57 -1.87 0.11 116.94 118.78 1j4g h PHE 166 Ca 0.21 -0.17 -0.18 0.00 3.53 0.00 0.00 57.97 61.36 1j4g h PHE 166 Cb 0.08 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1j4g h PHE 166 CO -0.00 0.93 -0.55 0.82 -2.23 0.00 0.00 178.31 177.28 1j4g h ILE 167 N 0.87 1.28 -0.07 1.41 5.03 -1.72 -0.41 117.51 123.91 1j4g h ILE 167 Ca 0.16 -1.73 0.02 0.00 -0.12 0.00 0.00 64.86 63.19 1j4g h ILE 167 Cb 0.53 1.67 -0.03 0.00 -3.03 0.00 0.00 36.82 35.97 1j4g h ILE 167 CO 0.03 0.56 -0.08 -0.08 -0.68 0.00 0.00 178.15 177.90 1j4g h GLU 168 N 0.63 -0.10 -0.02 2.37 4.81 -0.95 -0.59 114.58 120.72 1j4g h GLU 168 Ca 0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1j4g h GLU 168 Cb 1.16 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1j4g h GLU 168 CO 0.12 -0.07 0.01 0.37 -0.73 0.00 0.00 179.01 178.72 1j4g h GLN 169 N -0.10 0.03 -0.66 1.92 4.15 -0.66 0.13 115.11 119.92 1j4g h GLN 169 Ca 0.06 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1j4g h GLN 169 Cb 0.18 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1j4g h GLN 169 CO -0.13 0.05 0.17 1.96 -1.93 0.00 0.00 178.83 178.95 1j4g h GLN 170 N -0.01 1.03 -0.13 1.69 1.08 -0.91 -1.99 115.11 115.86 1j4g h GLN 170 Ca 0.01 -0.23 -0.13 0.00 -1.45 0.00 0.00 58.65 56.85 1j4g h GLN 170 Cb 0.03 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1j4g h GLN 170 CO -0.00 0.90 -0.43 0.82 -0.95 0.00 0.00 178.83 179.17 1j4g h ILE 171 N 0.98 1.36 0.00 2.54 2.04 -1.03 -3.21 117.51 120.19 1j4g h ILE 171 Ca 0.21 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1j4g h ILE 171 Cb 0.33 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1j4g h ILE 171 CO -0.00 0.52 0.00 1.23 0.00 0.00 0.00 178.15 179.90 1j4g h GLY 172 N 0.13 0.00 1.59 5.37 0.00 -0.83 -2.28 103.07 107.05 1j4g h GLY 172 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1j4g h GLY 172 CO 0.09 0.00 -0.41 0.07 0.00 0.00 0.00 176.54 176.29 1j4g h LYS 173 N 0.00 0.00 -5.33 4.80 2.10 -1.36 -3.35 116.57 113.43 1j4g h LYS 173 Ca 0.00 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.99 1j4g h LYS 173 Cb 0.33 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.50 1j4g h LYS 173 CO 0.00 0.00 0.97 1.03 -2.00 0.00 0.00 179.45 179.45 1j4g s ARG 174 N -3.27 3.55 -0.19 0.07 3.00 -0.86 -4.72 118.95 116.54 1j4g s ARG 174 Ca 0.04 -1.52 -0.12 0.00 0.00 0.00 0.00 55.73 54.12 1j4g s ARG 174 Cb 0.07 -4.96 -0.20 0.00 0.00 0.00 0.00 34.95 29.86 1j4g s ARG 174 CO 0.72 -1.88 0.13 0.28 0.00 0.00 0.00 175.30 174.55 1j4g n VAL 175 N 5.86 1.62 -0.41 3.52 0.31 -1.26 -0.53 118.33 127.44 1j4g n VAL 175 Ca 0.24 -0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 1j4g n VAL 175 Cb 0.49 -1.84 0.18 0.00 -0.91 0.00 0.00 33.84 31.77 1j4g n VAL 175 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1j4g n ASP 176 N -3.93 3.21 -3.53 4.52 5.68 -1.26 -4.22 116.55 117.02 1j4g n ASP 176 Ca -0.37 -2.29 -0.13 0.00 -0.50 0.00 0.00 54.79 51.49 1j4g n ASP 176 Cb 0.88 -0.32 -0.05 0.00 -1.14 0.00 0.00 41.12 40.49 1j4g n ASP 176 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1j4g s LYS 177 N -1.52 1.74 0.38 0.11 -2.85 -1.26 -4.97 119.74 111.37 1j4g s LYS 177 Ca 0.29 -1.64 0.06 0.00 -1.00 0.00 0.00 55.97 53.68 1j4g s LYS 177 Cb 0.18 0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 36.30 1j4g s LYS 177 CO 0.14 -0.71 0.02 0.95 0.10 0.00 0.00 175.35 175.85 1j4g s THR 178 N -3.41 1.81 0.10 3.79 -4.23 -1.26 -4.35 115.64 108.09 1j4g s THR 178 Ca 0.30 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.61 1j4g s THR 178 Cb 0.01 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.96 1j4g s THR 178 CO 0.17 -0.02 0.45 0.72 -0.54 0.00 0.00 174.62 175.40 1j4g s PHE 179 N -2.85 -0.30 -0.20 3.99 -0.71 -0.38 -4.94 117.98 112.58 1j4g s PHE 179 Ca 0.35 0.13 -0.12 0.00 -1.04 0.00 0.00 56.93 56.25 1j4g s PHE 179 Cb 0.09 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 1j4g s PHE 179 CO 0.17 -0.68 0.23 -0.51 -1.34 0.00 0.00 175.22 173.09 1j4g s LEU 180 N -2.47 4.18 0.29 -1.99 1.43 -1.26 -0.28 118.68 118.57 1j4g s LEU 180 Ca -0.01 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 1j4g s LEU 180 Cb 0.00 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 1j4g s LEU 180 CO -0.08 0.07 1.37 -2.16 0.23 0.00 0.00 176.35 175.78 1j4g s PRO 181 N 0.81 4.31 0.88 1.29 0.04 -1.26 -5.00 135.00 136.06 1j4g s PRO 181 Ca 0.12 2.26 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 1j4g s PRO 181 Cb -0.13 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.44 1j4g s PRO 181 CO 0.03 -0.30 1.10 -1.54 0.04 0.00 0.00 177.00 176.33 1j4g s SER 182 N -0.07 3.69 0.52 6.66 1.04 -1.26 -4.58 113.70 119.69 1j4g s SER 182 Ca 0.54 1.38 0.19 0.00 0.48 0.00 0.00 55.95 58.54 1j4g s SER 182 Cb -0.41 -2.07 1.33 0.00 0.10 0.00 0.00 66.02 64.98 1j4g s SER 182 CO 0.49 -2.49 2.14 -0.07 0.98 0.00 0.00 173.24 174.28 1j4g h LEU 183 N -1.45 0.00 -0.53 2.42 3.38 -1.94 -1.24 115.31 115.95 1j4g h LEU 183 Ca -0.49 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1j4g h LEU 183 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1j4g h LEU 183 CO 0.57 0.04 -0.09 0.00 0.09 0.00 0.00 178.44 179.05 1j4g h ALA 184 N 1.96 0.73 -0.32 1.53 0.00 -1.78 0.91 119.26 122.29 1j4g h ALA 184 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1j4g h ALA 184 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1j4g h ALA 184 CO 0.01 0.63 -0.05 0.82 0.00 0.00 0.00 179.25 180.65 1j4g h ILE 185 N 0.87 1.27 -0.45 0.00 2.04 -1.56 -1.73 117.51 117.96 1j4g h ILE 185 Ca 0.14 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 1j4g h ILE 185 Cb 0.65 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1j4g h ILE 185 CO 0.04 0.34 0.00 0.40 0.00 0.00 0.00 178.15 178.94 1j4g h ILE 186 N 0.38 1.23 -0.75 -0.67 2.04 -1.31 -2.15 117.51 116.27 1j4g h ILE 186 Ca 0.08 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1j4g h ILE 186 Cb 0.52 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1j4g h ILE 186 CO 0.03 0.34 0.41 -1.28 0.00 0.00 0.00 178.15 177.64 1j4g h SER 187 N 0.69 0.94 -0.46 1.72 0.87 -0.59 0.65 113.55 117.37 1j4g h SER 187 Ca 0.14 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1j4g h SER 187 Cb 0.42 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1j4g h SER 187 CO 0.02 0.77 0.29 -0.07 -0.53 0.00 0.00 176.83 177.30 1j4g h LEU 188 N 1.04 0.55 0.15 2.23 3.38 -0.95 -1.09 115.31 120.62 1j4g h LEU 188 Ca 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1j4g h LEU 188 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1j4g h LEU 188 CO -0.04 0.43 -0.07 -0.33 0.09 0.00 0.00 178.44 178.51 1j4g h GLU 189 N 0.62 -0.20 0.00 1.13 5.08 -0.85 -2.01 114.58 118.35 1j4g h GLU 189 Ca 0.17 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1j4g h GLU 189 Cb -0.03 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1j4g h GLU 189 CO -0.03 -0.11 -0.05 -0.91 -1.00 0.00 0.00 179.01 176.91 1j4g h ASN 190 N -0.23 0.00 -0.01 1.42 2.35 -0.70 -3.20 115.58 115.20 1j4g h ASN 190 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1j4g h ASN 190 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1j4g h ASN 190 CO 0.03 0.05 -0.36 -1.20 -1.65 0.00 0.00 177.43 174.31 1j4g n SER 191 N -3.83 1.81 -0.17 5.81 7.64 -0.43 -4.66 113.62 119.79 1j4g n SER 191 Ca -0.03 -1.40 -0.04 0.00 1.01 0.00 0.00 58.87 58.41 1j4g n SER 191 Cb 0.14 0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1j4g n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1j4g h TRP 192 N 2.10 -0.67 -0.43 1.43 7.01 -1.37 0.88 115.95 124.90 1j4g h TRP 192 Ca 0.00 0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.15 1j4g h TRP 192 Cb 0.63 0.37 -0.08 0.00 -2.10 0.00 0.00 29.16 27.98 1j4g h TRP 192 CO 0.00 -0.33 -0.12 1.03 -2.79 0.00 0.00 178.44 176.22 1j4g h SER 193 N -0.13 -0.45 -0.31 2.65 0.87 -1.84 0.23 113.55 114.58 1j4g h SER 193 Ca 0.23 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.90 1j4g h SER 193 Cb 0.50 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1j4g h SER 193 CO -0.60 -0.16 0.07 0.00 -0.53 0.00 0.00 176.83 175.61 1j4g h ALA 194 N 1.38 0.40 -0.14 6.23 0.00 -1.56 -2.27 119.26 123.31 1j4g h ALA 194 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j4g h ALA 194 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1j4g h ALA 194 CO -0.45 0.07 0.08 -0.07 0.00 0.00 0.00 179.25 178.87 1j4g h LEU 195 N 0.33 0.18 -0.64 0.00 3.38 -0.28 -0.06 115.31 118.22 1j4g h LEU 195 Ca 0.10 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1j4g h LEU 195 Cb 0.30 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1j4g h LEU 195 CO 0.00 0.21 0.27 -1.28 0.09 0.00 0.00 178.44 177.73 1j4g h SER 196 N 0.13 0.31 -0.17 -0.43 0.87 -0.50 0.24 113.55 113.99 1j4g h SER 196 Ca 0.05 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1j4g h SER 196 Cb 0.08 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1j4g h SER 196 CO -0.01 0.18 0.10 0.50 -0.53 0.00 0.00 176.83 177.07 1j4g h LYS 197 N 0.47 0.24 -0.58 2.24 3.64 -0.97 -2.41 116.57 119.19 1j4g h LYS 197 Ca 0.32 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1j4g h LYS 197 Cb 0.37 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1j4g h LYS 197 CO -0.29 0.21 0.09 1.96 -2.27 0.00 0.00 179.45 179.15 1j4g h GLN 198 N 0.20 0.94 -0.24 1.90 1.08 -0.18 -1.71 115.11 117.09 1j4g h GLN 198 Ca 0.06 -0.23 -0.09 0.00 -1.45 0.00 0.00 58.65 56.94 1j4g h GLN 198 Cb 0.04 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1j4g h GLN 198 CO -0.01 0.88 -0.23 0.82 -0.95 0.00 0.00 178.83 179.34 1j4g h ILE 199 N 0.89 1.25 -0.27 2.54 2.04 -0.42 0.13 117.51 123.68 1j4g h ILE 199 Ca 0.18 -1.20 -0.14 0.00 1.00 0.00 0.00 64.86 64.71 1j4g h ILE 199 Cb 0.40 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1j4g h ILE 199 CO 0.01 0.38 -0.40 1.56 0.00 0.00 0.00 178.15 179.70 1j4g h GLN 200 N 0.40 0.64 -0.45 2.37 4.20 -1.07 -2.77 115.11 118.43 1j4g h GLN 200 Ca 0.06 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.30 1j4g h GLN 200 Cb 0.62 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1j4g h GLN 200 CO 0.04 0.93 -0.27 0.82 -0.67 0.00 0.00 178.83 179.68 1j4g h ILE 201 N 0.53 1.27 0.00 2.54 1.08 -0.98 -2.93 117.51 119.02 1j4g h ILE 201 Ca 0.05 -1.44 -0.02 0.00 -0.39 0.00 0.00 64.86 63.05 1j4g h ILE 201 Cb 0.92 1.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1j4g h ILE 201 CO 0.08 0.49 -0.09 0.00 -0.69 0.00 0.00 178.15 177.95 1j4g h ALA 202 N 0.84 1.58 0.00 1.87 0.00 -0.50 -2.38 119.26 120.66 1j4g h ALA 202 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j4g h ALA 202 Cb 0.86 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1j4g h ALA 202 CO 0.08 0.11 -0.01 0.66 0.00 0.00 0.00 179.25 180.09 1j4g h SER 203 N 0.00 0.00 -0.01 0.00 4.64 -1.30 0.11 113.55 117.00 1j4g h SER 203 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j4g h SER 203 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1j4g h SER 203 CO 0.01 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 1j4g n THR 204 N -3.24 1.71 -2.53 2.95 -2.24 -0.92 -4.71 114.28 105.30 1j4g n THR 204 Ca -0.03 -1.98 -0.12 0.00 -2.27 0.00 0.00 64.05 59.66 1j4g n THR 204 Cb 0.11 -0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1j4g n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j4g n ASN 205 N -1.19 2.91 -2.88 3.42 2.85 -0.19 -4.97 115.26 115.20 1j4g n ASN 205 Ca 0.13 -2.88 -0.21 0.00 -0.11 0.00 0.00 54.58 51.51 1j4g n ASN 205 Cb 0.56 -0.45 0.01 0.00 1.24 0.00 0.00 39.78 41.15 1j4g n ASN 205 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1j4g n ASN 206 N -0.50 -5.39 0.00 1.20 3.02 -1.20 -1.69 115.26 110.71 1j4g n ASN 206 Ca 0.22 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1j4g n ASN 206 Cb 0.83 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1j4g n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4g n GLY 207 N -1.27 0.45 3.89 7.41 0.00 0.22 -5.00 105.19 110.88 1j4g n GLY 207 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1j4g n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4g s GLN 208 N -0.56 3.48 0.47 1.61 -1.52 -0.68 -1.61 119.66 120.85 1j4g s GLN 208 Ca 0.00 -0.17 -0.21 0.00 -1.95 0.00 0.00 55.36 53.03 1j4g s GLN 208 Cb 0.00 -3.14 -0.08 0.00 -0.22 0.00 0.00 33.01 29.57 1j4g s GLN 208 CO 0.00 0.72 1.05 -0.06 -0.25 0.00 0.00 175.29 176.75 1j4g s PHE 209 N -1.18 3.01 -0.04 0.91 0.40 0.59 -3.97 117.98 117.71 1j4g s PHE 209 Ca 0.22 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 58.16 1j4g s PHE 209 Cb -0.13 -3.11 -0.25 0.00 0.51 0.00 0.00 43.02 40.04 1j4g s PHE 209 CO 0.11 -0.89 0.69 1.49 0.70 0.00 0.00 175.22 177.32 1j4g h GLU 210 N 1.72 0.13 -3.58 0.44 4.57 -1.88 -3.43 114.58 112.56 1j4g h GLU 210 Ca -0.49 -0.23 -0.58 0.00 -1.18 0.00 0.00 59.36 56.88 1j4g h GLU 210 Cb 1.22 0.09 -0.40 0.00 -0.16 0.00 0.00 28.75 29.50 1j4g h GLU 210 CO 0.59 0.88 -0.76 -1.12 -1.18 0.00 0.00 179.01 177.42 1j4g s SER 211 N -6.61 3.92 0.50 1.04 0.01 -1.26 -5.13 113.70 106.16 1j4g s SER 211 Ca -0.10 -1.55 -0.21 0.00 1.31 0.00 0.00 55.95 55.40 1j4g s SER 211 Cb 0.07 -0.85 -0.09 0.00 0.21 0.00 0.00 66.02 65.37 1j4g s SER 211 CO 0.82 -0.40 0.84 -2.65 0.41 0.00 0.00 173.24 172.26 1j4g n PRO 212 N 4.86 0.97 -4.88 12.44 -0.02 -1.26 -4.94 135.00 142.16 1j4g n PRO 212 Ca -0.03 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1j4g n PRO 212 Cb 0.43 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 1j4g n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j4g s VAL 213 N -1.45 2.96 -0.23 -1.45 1.01 -0.49 -4.93 120.40 115.82 1j4g s VAL 213 Ca 0.67 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1j4g s VAL 213 Cb -0.50 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1j4g s VAL 213 CO 0.54 0.56 0.12 -0.69 0.00 0.00 0.00 175.10 175.63 1j4g s VAL 214 N -0.24 5.01 0.33 2.92 1.01 -1.26 -0.22 120.40 127.94 1j4g s VAL 214 Ca 0.01 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1j4g s VAL 214 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1j4g s VAL 214 CO 0.03 0.37 0.10 -0.76 0.00 0.00 0.00 175.10 174.84 1j4g s LEU 215 N 1.00 3.21 -0.23 3.92 1.43 -0.22 -4.92 118.68 122.88 1j4g s LEU 215 Ca 0.06 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1j4g s LEU 215 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1j4g s LEU 215 CO 0.04 -0.23 0.11 -0.63 0.23 0.00 0.00 176.35 175.86 1j4g s ILE 216 N -2.42 4.91 0.64 -0.59 1.09 -1.26 -0.52 121.20 123.05 1j4g s ILE 216 Ca 0.36 0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.86 1j4g s ILE 216 Cb -0.03 -3.27 0.14 0.00 -1.06 0.00 0.00 42.46 38.24 1j4g s ILE 216 CO 0.22 0.37 0.87 -0.46 -0.10 0.00 0.00 174.94 175.84 1j4g n ASN 217 N 4.27 0.42 0.27 3.58 0.23 0.09 -4.04 115.26 120.08 1j4g n ASN 217 Ca -0.16 -1.53 0.11 0.00 -0.53 0.00 0.00 54.58 52.47 1j4g n ASN 217 Cb 0.52 -0.63 0.74 0.00 -2.08 0.00 0.00 39.78 38.33 1j4g n ASN 217 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j4g h ALA 218 N -1.35 1.65 -0.38 -2.53 0.00 -1.98 0.54 119.26 115.21 1j4g h ALA 218 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1j4g h ALA 218 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1j4g h ALA 218 CO 0.23 0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.58 1j4g n GLN 219 N -4.09 2.35 -1.74 0.00 3.00 -1.26 -4.90 117.38 110.73 1j4g n GLN 219 Ca -0.03 -1.56 -0.16 0.00 -0.01 0.00 0.00 57.00 55.25 1j4g n GLN 219 Cb 0.13 -1.52 -0.05 0.00 0.00 0.00 0.00 30.24 28.81 1j4g n GLN 219 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1j4g n ASN 220 N 0.58 -4.82 -4.84 1.08 3.02 0.18 -5.00 115.26 105.46 1j4g n ASN 220 Ca 0.14 0.25 -0.31 0.00 -0.03 0.00 0.00 54.58 54.63 1j4g n ASN 220 Cb 0.49 -3.79 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 1j4g n ASN 220 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1j4g s GLN 221 N -3.82 3.13 0.30 3.52 -1.52 -1.26 -4.82 119.66 115.19 1j4g s GLN 221 Ca 0.00 -0.57 -0.29 0.00 -1.95 0.00 0.00 55.36 52.55 1j4g s GLN 221 Cb 0.00 -2.87 -0.10 0.00 -0.22 0.00 0.00 33.01 29.82 1j4g s GLN 221 CO 0.00 0.59 1.13 1.03 -0.25 0.00 0.00 175.29 177.79 1j4g s ARG 222 N -2.43 4.55 -0.05 2.91 0.52 -1.26 -0.74 118.95 122.46 1j4g s ARG 222 Ca 0.32 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 1j4g s ARG 222 Cb -0.13 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.25 1j4g s ARG 222 CO 0.24 0.12 -0.02 0.54 0.02 0.00 0.00 175.30 176.20 1j4g s VAL 223 N -1.19 0.42 -0.17 3.52 0.11 0.32 -4.88 120.40 118.53 1j4g s VAL 223 Ca 0.46 -0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.27 1j4g s VAL 223 Cb -0.33 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1j4g s VAL 223 CO 0.42 0.22 0.74 -0.89 -3.33 0.00 0.00 175.10 172.26 1j4g s THR 224 N 1.24 4.95 -0.26 5.04 2.01 -1.26 -1.06 115.64 126.31 1j4g s THR 224 Ca -0.06 1.45 -0.12 0.00 0.31 0.00 0.00 61.69 63.27 1j4g s THR 224 Cb -0.14 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1j4g s THR 224 CO -0.02 0.08 0.21 -0.63 -0.69 0.00 0.00 174.62 173.58 1j4g s ILE 225 N 1.90 5.31 0.00 1.82 -1.09 0.69 -4.96 121.20 124.87 1j4g s ILE 225 Ca 0.35 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1j4g s ILE 225 Cb -0.16 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1j4g s ILE 225 CO 0.12 0.28 0.03 0.35 -1.23 0.00 0.00 174.94 174.49 1j4g n THR 226 N 4.68 0.00 -3.87 2.92 -2.24 -1.26 -1.39 114.28 113.12 1j4g n THR 226 Ca -0.13 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1j4g n THR 226 Cb 0.52 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1j4g n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j4g s ASN 227 N -0.77 -0.09 0.00 3.42 2.20 -1.26 -0.30 114.94 118.13 1j4g s ASN 227 Ca 0.00 -0.87 0.14 0.00 -0.94 0.00 0.00 52.86 51.20 1j4g s ASN 227 Cb 0.00 0.75 0.73 0.00 -2.00 0.00 0.00 41.25 40.73 1j4g s ASN 227 CO 0.00 -1.44 1.40 1.33 -2.94 0.00 0.00 177.10 175.45 1j4g n VAL 228 N -0.48 0.61 0.96 3.54 0.24 -0.63 -2.43 118.33 120.14 1j4g n VAL 228 Ca -0.05 0.15 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 1j4g n VAL 228 Cb 0.60 -0.91 0.49 0.00 -1.47 0.00 0.00 33.84 32.54 1j4g n VAL 228 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1j4g n ASP 229 N -1.29 0.21 -4.76 -1.34 8.00 -1.26 -4.19 116.55 111.92 1j4g n ASP 229 Ca 0.07 0.28 -0.39 0.00 0.71 0.00 0.00 54.79 55.45 1j4g n ASP 229 Cb 0.12 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1j4g n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j4g s ALA 230 N -3.01 3.12 0.45 2.24 0.00 -1.02 -4.79 121.76 118.75 1j4g s ALA 230 Ca 0.13 1.45 0.16 0.00 0.00 0.00 0.00 51.96 53.70 1j4g s ALA 230 Cb 0.18 -3.59 1.10 0.00 0.00 0.00 0.00 23.12 20.81 1j4g s ALA 230 CO 0.59 -1.27 1.96 0.78 0.00 0.00 0.00 175.76 177.82 1j4g h GLY 231 N 2.07 0.53 1.70 0.00 0.00 -1.92 -1.07 103.07 104.38 1j4g h GLY 231 Ca -0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1j4g h GLY 231 CO 0.60 0.07 0.02 -0.24 0.00 0.00 0.00 176.54 176.99 1j4g h VAL 232 N 0.34 1.15 0.21 4.60 3.04 -1.92 0.33 116.25 124.00 1j4g h VAL 232 Ca 0.31 -0.57 -0.33 0.00 -1.01 0.00 0.00 66.70 65.10 1j4g h VAL 232 Cb 0.73 0.93 0.02 0.00 -2.01 0.00 0.00 31.29 30.96 1j4g h VAL 232 CO -0.08 0.20 -1.53 0.58 -1.01 0.00 0.00 177.57 175.73 1j4g h VAL 233 N 0.38 1.21 0.05 1.51 2.07 -1.49 -0.72 116.25 119.27 1j4g h VAL 233 Ca 0.09 -2.71 -0.28 0.00 0.82 0.00 0.00 66.70 64.62 1j4g h VAL 233 Cb 0.22 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1j4g h VAL 233 CO 0.00 0.83 -1.45 0.71 0.02 0.00 0.00 177.57 177.69 1j4g h THR 234 N 0.12 1.21 0.00 2.57 1.35 -1.26 -3.42 112.91 113.48 1j4g h THR 234 Ca -0.26 -2.93 -0.01 0.00 -0.55 0.00 0.00 66.41 62.66 1j4g h THR 234 Cb 2.12 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 71.20 1j4g h THR 234 CO 0.23 0.77 -0.23 -1.20 -0.25 0.00 0.00 175.52 174.84 1j4g n SER 235 N -3.31 1.58 0.14 5.36 7.64 0.11 -4.96 113.62 120.18 1j4g n SER 235 Ca -0.12 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1j4g n SER 235 Cb 1.02 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1j4g n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1j4g n ASN 236 N -0.93 -1.68 -4.74 6.43 5.15 -1.19 -4.78 115.26 113.52 1j4g n ASN 236 Ca 0.11 0.51 -0.42 0.00 -0.60 0.00 0.00 54.58 54.18 1j4g n ASN 236 Cb 0.68 1.72 -0.02 0.00 -0.53 0.00 0.00 39.78 41.64 1j4g n ASN 236 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j4g n ILE 237 N -3.17 0.98 -0.10 -1.44 0.00 -0.28 -0.18 119.36 115.16 1j4g n ILE 237 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 62.75 62.51 1j4g n ILE 237 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 39.64 37.70 1j4g n ILE 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1j4g n ALA 238 N 2.21 2.11 -3.15 1.51 0.00 0.11 -4.84 120.51 118.46 1j4g n ALA 238 Ca 0.09 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 1j4g n ALA 238 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 1j4g n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j4g s LEU 239 N -0.30 1.01 0.00 0.00 1.43 -1.24 -4.06 118.68 115.51 1j4g s LEU 239 Ca 0.00 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1j4g s LEU 239 Cb 0.00 0.90 0.02 0.00 0.03 0.00 0.00 46.19 47.15 1j4g s LEU 239 CO 0.00 -0.11 0.58 0.18 0.23 0.00 0.00 176.35 177.24