#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 5.76 0.01 6.12 1.01 -1.26 -4.51 116.67 123.80 1j4g s ASP 1 Ca 0.00 1.06 -0.04 0.00 0.71 0.00 0.00 52.55 54.28 1j4g s ASP 1 Cb 0.00 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1j4g s ASP 1 CO 0.00 -1.07 0.07 0.68 0.21 0.00 0.00 175.17 175.06 1j4g s VAL 2 N -3.15 0.10 0.06 -1.27 -7.23 -0.92 -4.99 120.40 103.00 1j4g s VAL 2 Ca 0.55 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 1j4g s VAL 2 Cb -0.11 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 1j4g s VAL 2 CO 0.50 -0.45 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.29 1j4g s SER 3 N -1.48 1.32 -0.09 4.85 0.01 -1.26 -1.09 113.70 115.96 1j4g s SER 3 Ca -0.15 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.45 1j4g s SER 3 Cb -0.08 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.17 1j4g s SER 3 CO 0.00 -0.14 0.23 0.12 0.41 0.00 0.00 173.24 173.87 1j4g s PHE 4 N -1.37 -0.29 -0.14 2.43 5.36 -0.50 -4.91 117.98 118.56 1j4g s PHE 4 Ca -0.05 0.70 -0.01 0.00 -0.96 0.00 0.00 56.93 56.61 1j4g s PHE 4 Cb -0.10 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1j4g s PHE 4 CO 0.01 -0.18 -0.11 1.03 -1.46 0.00 0.00 175.22 174.51 1j4g s ARG 5 N 0.75 3.42 0.22 10.12 0.52 -1.26 -1.81 118.95 130.92 1j4g s ARG 5 Ca -0.05 -0.66 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1j4g s ARG 5 Cb -0.07 -2.69 0.17 0.00 0.52 0.00 0.00 34.95 32.88 1j4g s ARG 5 CO -0.05 0.19 1.51 -0.07 0.02 0.00 0.00 175.30 176.90 1j4g h LEU 6 N 6.81 0.00 -9.23 2.53 -0.00 -1.36 -3.38 115.31 110.68 1j4g h LEU 6 Ca -0.28 -0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.05 1j4g h LEU 6 Cb 1.21 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1j4g h LEU 6 CO 0.57 0.74 1.18 -0.55 -0.00 0.00 0.00 178.44 180.38 1j4g s SER 7 N -6.81 6.44 0.00 -0.43 0.15 -1.26 -1.49 113.70 110.31 1j4g s SER 7 Ca -0.01 2.26 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1j4g s SER 7 Cb 0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1j4g s SER 7 CO 0.78 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1j4g n GLY 8 N 4.50 0.67 3.76 9.45 0.00 -1.26 -5.00 105.19 117.30 1j4g n GLY 8 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.64 2.90 0.28 4.61 0.00 -0.55 -5.02 121.76 121.34 1j4g s ALA 9 Ca 0.00 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1j4g s ALA 9 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1j4g s ALA 9 CO 0.00 -1.15 0.08 0.95 0.00 0.00 0.00 175.76 175.64 1j4g s THR 10 N -1.36 0.77 0.28 0.00 -4.23 -1.26 -4.98 115.64 104.86 1j4g s THR 10 Ca 0.68 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1j4g s THR 10 Cb -0.37 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.06 1j4g s THR 10 CO 0.45 -0.02 1.94 0.28 -0.54 0.00 0.00 174.62 176.73 1j4g h SER 11 N 2.31 1.01 -0.43 3.99 0.02 -1.96 -0.30 113.55 118.19 1j4g h SER 11 Ca -0.39 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1j4g h SER 11 Cb 1.24 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1j4g h SER 11 CO 0.64 0.72 0.19 -1.28 -1.14 0.00 0.00 176.83 175.95 1j4g h SER 12 N 1.19 0.58 0.58 3.07 0.87 -1.96 -1.61 113.55 116.27 1j4g h SER 12 Ca 0.35 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1j4g h SER 12 Cb -0.07 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1j4g h SER 12 CO -0.09 0.57 -0.43 0.77 -0.53 0.00 0.00 176.83 177.12 1j4g h SER 13 N 0.55 0.00 -0.07 6.23 4.64 -1.74 -1.57 113.55 121.60 1j4g h SER 13 Ca 0.14 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 1j4g h SER 13 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1j4g h SER 13 CO -0.01 0.43 -0.56 0.22 -0.87 0.00 0.00 176.83 176.03 1j4g h TYR 14 N 0.00 0.83 -0.73 4.77 3.20 -0.84 -2.16 116.97 122.03 1j4g h TYR 14 Ca -0.00 -0.30 -0.04 0.00 3.14 0.00 0.00 58.73 61.53 1j4g h TYR 14 Cb 0.84 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1j4g h TYR 14 CO 0.00 1.07 0.31 0.78 -1.64 0.00 0.00 178.16 178.68 1j4g h GLY 15 N 0.94 1.17 1.00 1.82 0.00 -0.74 -1.22 103.07 106.04 1j4g h GLY 15 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1j4g h GLY 15 CO 0.11 0.59 0.35 -2.08 0.00 0.00 0.00 176.54 175.51 1j4g h VAL 16 N 1.05 1.16 -0.07 4.60 2.07 -1.11 -0.12 116.25 123.82 1j4g h VAL 16 Ca 0.25 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1j4g h VAL 16 Cb 0.19 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1j4g h VAL 16 CO -0.02 0.16 -0.01 0.15 0.02 0.00 0.00 177.57 177.87 1j4g h PHE 17 N 0.75 -0.02 -0.58 1.57 3.57 -0.86 0.16 116.94 121.54 1j4g h PHE 17 Ca 0.20 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 1j4g h PHE 17 Cb -0.05 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1j4g h PHE 17 CO -0.03 -0.02 -0.00 0.82 -2.23 0.00 0.00 178.31 176.85 1j4g h ILE 18 N 0.02 1.26 -0.55 1.41 1.08 -1.04 0.36 117.51 120.04 1j4g h ILE 18 Ca 0.03 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.37 1j4g h ILE 18 Cb 0.04 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1j4g h ILE 18 CO -0.06 0.41 0.29 -1.28 -0.69 0.00 0.00 178.15 176.81 1j4g h SER 19 N 0.92 0.69 -0.13 1.72 0.87 -0.78 -0.87 113.55 115.97 1j4g h SER 19 Ca 0.17 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1j4g h SER 19 Cb 0.53 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1j4g h SER 19 CO 0.03 0.59 -0.18 0.78 -0.53 0.00 0.00 176.83 177.52 1j4g h ASN 20 N 0.74 0.53 -0.21 6.23 2.35 -0.07 -1.99 115.58 123.16 1j4g h ASN 20 Ca 0.19 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1j4g h ASN 20 Cb 0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1j4g h ASN 20 CO -0.03 0.73 0.12 0.25 -1.65 0.00 0.00 177.43 176.85 1j4g h LEU 21 N 0.48 0.25 -0.64 1.61 5.85 0.26 -1.26 115.31 121.87 1j4g h LEU 21 Ca 0.08 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1j4g h LEU 21 Cb 0.59 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1j4g h LEU 21 CO 0.04 0.25 0.34 0.03 -0.34 0.00 0.00 178.44 178.76 1j4g h ARG 22 N 0.24 0.61 0.00 1.25 3.08 -0.93 -1.96 114.38 116.67 1j4g h ARG 22 Ca 0.07 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1j4g h ARG 22 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1j4g h ARG 22 CO -0.01 0.40 -0.22 0.87 -1.07 0.00 0.00 179.97 179.93 1j4g h LYS 23 N 0.63 0.00 0.00 0.04 1.57 -1.08 -2.74 116.57 114.98 1j4g h LYS 23 Ca 0.29 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1j4g h LYS 23 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1j4g h LYS 23 CO -0.20 0.22 -0.26 0.00 -0.57 0.00 0.00 179.45 178.65 1j4g h ALA 24 N 1.78 1.43 -2.19 3.86 0.00 -0.42 -3.42 119.26 120.30 1j4g h ALA 24 Ca -0.00 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 54.09 1j4g h ALA 24 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1j4g h ALA 24 CO 0.03 0.33 0.64 -0.51 0.00 0.00 0.00 179.25 179.74 1j4g s LEU 25 N -8.05 4.13 0.46 0.00 1.43 -1.03 -4.46 118.68 111.16 1j4g s LEU 25 Ca -0.03 1.32 -0.25 0.00 -1.03 0.00 0.00 54.13 54.14 1j4g s LEU 25 Cb 0.14 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.84 1j4g s LEU 25 CO 0.68 -0.56 1.44 -2.84 0.23 0.00 0.00 176.35 175.30 1j4g s PRO 26 N 2.77 3.62 0.16 1.29 0.02 -1.26 -4.99 135.00 136.61 1j4g s PRO 26 Ca 0.42 2.44 0.08 0.00 0.02 0.00 0.00 61.00 63.97 1j4g s PRO 26 Cb -0.16 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 1j4g s PRO 26 CO 0.09 -0.88 -0.17 0.54 -0.33 0.00 0.00 177.00 176.26 1j4g s ASN 27 N -0.50 2.54 -0.01 2.53 6.03 -1.26 -3.17 114.94 121.09 1j4g s ASN 27 Ca 0.62 -0.86 -0.25 0.00 -1.03 0.00 0.00 52.86 51.34 1j4g s ASN 27 Cb -0.44 -0.14 -0.19 0.00 -3.03 0.00 0.00 41.25 37.45 1j4g s ASN 27 CO 0.57 -0.07 1.25 -0.08 -2.03 0.00 0.00 177.10 176.75 1j4g h GLU 28 N 3.25 0.09 0.00 3.55 4.81 -0.61 -3.45 114.58 122.21 1j4g h GLU 28 Ca -0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1j4g h GLU 28 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1j4g h GLU 28 CO 0.52 0.58 0.00 2.89 -0.73 0.00 0.00 179.01 182.27 1j4g n ARG 29 N -4.76 0.00 -5.16 1.92 1.85 -1.25 -5.04 116.66 104.22 1j4g n ARG 29 Ca -0.08 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.45 1j4g n ARG 29 Cb 0.29 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.55 1j4g n ARG 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1j4g s LYS 30 N -0.01 2.52 -0.15 2.89 1.02 -1.26 -0.57 119.74 124.17 1j4g s LYS 30 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 1j4g s LYS 30 Cb 0.00 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1j4g s LYS 30 CO 0.00 0.45 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.27 1j4g s LEU 31 N -0.33 2.78 -1.38 3.17 1.43 -0.63 -4.43 118.68 119.30 1j4g s LEU 31 Ca 0.02 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 1j4g s LEU 31 Cb -0.12 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.51 1j4g s LEU 31 CO 0.02 0.12 0.59 -1.22 0.23 0.00 0.00 176.35 176.09 1j4g n TYR 32 N 3.86 -1.89 -1.17 0.29 4.01 -1.26 -0.71 117.16 120.29 1j4g n TYR 32 Ca -0.18 0.55 -0.06 0.00 -0.16 0.00 0.00 57.90 58.06 1j4g n TYR 32 Cb 0.52 -3.34 -0.02 0.00 -0.31 0.00 0.00 39.34 36.19 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 -2.42 -5.25 -4.52 7.72 2.03 -1.26 -4.98 116.55 107.86 1j4g n ASP 33 Ca -0.02 0.14 -0.36 0.00 0.52 0.00 0.00 54.79 55.07 1j4g n ASP 33 Cb 0.55 -3.26 -0.12 0.00 -0.72 0.00 0.00 41.12 37.57 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 -1.69 4.68 0.16 5.18 1.01 0.11 -5.01 121.20 125.64 1j4g s ILE 34 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 60.65 60.26 1j4g s ILE 34 Cb 0.00 -3.18 -0.15 0.00 0.01 0.00 0.00 42.46 39.14 1j4g s ILE 34 CO 0.00 0.34 1.35 -2.65 0.00 0.00 0.00 174.94 173.98 1j4g n PRO 35 N 4.67 1.56 -3.59 2.79 -0.02 -1.26 -1.60 135.00 137.56 1j4g n PRO 35 Ca -0.16 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 1j4g n PRO 35 Cb 0.52 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.53 4.45 0.52 2.45 2.96 0.26 -1.71 118.68 128.14 1j4g s LEU 36 Ca 0.76 -0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 53.84 1j4g s LEU 36 Cb -0.80 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 43.77 1j4g s LEU 36 CO 0.47 -0.27 1.18 -0.76 -1.32 0.00 0.00 176.35 175.66 1j4g s LEU 37 N 1.64 3.84 0.32 -0.68 1.43 -1.26 0.05 118.68 124.02 1j4g s LEU 37 Ca 0.05 2.33 -0.29 0.00 -1.03 0.00 0.00 54.13 55.18 1j4g s LEU 37 Cb -0.18 -4.42 -0.11 0.00 0.03 0.00 0.00 46.19 41.51 1j4g s LEU 37 CO 0.08 -1.21 1.57 -0.13 0.23 0.00 0.00 176.35 176.89 1j4g s ARG 38 N -3.03 4.11 0.39 1.70 1.81 -1.19 -4.51 118.95 118.23 1j4g s ARG 38 Ca 0.70 2.59 0.21 0.00 -1.72 0.00 0.00 55.73 57.51 1j4g s ARG 38 Cb -0.29 -3.00 0.25 0.00 -0.45 0.00 0.00 34.95 31.47 1j4g s ARG 38 CO 0.33 -0.61 1.54 0.66 -0.68 0.00 0.00 175.30 176.53 1j4g h SER 39 N 4.24 0.00 -3.86 0.23 4.64 -1.92 -3.41 113.55 113.47 1j4g h SER 39 Ca -0.48 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 1j4g h SER 39 Cb 1.23 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.08 1j4g h SER 39 CO 0.75 0.13 -0.15 -0.94 -0.87 0.00 0.00 176.83 175.74 1j4g s SER 40 N -6.23 -0.51 0.01 4.97 1.04 -1.26 -5.01 113.70 106.70 1j4g s SER 40 Ca 0.06 0.98 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 1j4g s SER 40 Cb 0.06 0.99 -0.00 0.00 0.10 0.00 0.00 66.02 67.16 1j4g s SER 40 CO 0.70 -0.17 0.09 -0.76 0.98 0.00 0.00 173.24 174.07 1j4g s LEU 41 N 0.34 1.76 0.71 2.42 1.43 -1.26 -5.12 118.68 118.96 1j4g s LEU 41 Ca -0.01 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 1j4g s LEU 41 Cb -0.04 0.50 0.03 0.00 0.03 0.00 0.00 46.19 46.71 1j4g s LEU 41 CO -0.00 -0.35 1.15 -2.16 0.23 0.00 0.00 176.35 175.22 1j4g s PRO 42 N -1.39 2.36 0.28 1.29 0.04 -1.26 -4.64 135.00 131.68 1j4g s PRO 42 Ca -0.15 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1j4g s PRO 42 Cb -0.08 -1.88 0.67 0.00 0.04 0.00 0.00 34.50 33.24 1j4g s PRO 42 CO 0.01 -1.62 1.64 0.78 0.04 0.00 0.00 177.00 177.85 1j4g h GLY 43 N -0.30 1.27 1.88 0.56 0.00 -2.00 0.71 103.07 105.18 1j4g h GLY 43 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1j4g h GLY 43 CO 0.51 -0.37 0.00 -1.14 0.00 0.00 0.00 176.54 175.54 1j4g n SER 44 N -5.27 0.00 -0.00 0.19 3.41 -1.26 -2.40 113.62 108.30 1j4g n SER 44 Ca 0.20 0.38 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 1j4g n SER 44 Cb 0.66 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1j4g n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j4g n GLN 45 N -1.44 4.10 0.17 4.33 6.02 0.13 -4.73 117.38 125.96 1j4g n GLN 45 Ca 0.04 -0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 1j4g n GLN 45 Cb 0.15 -0.88 0.15 0.00 1.02 0.00 0.00 30.24 30.68 1j4g n GLN 45 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1j4g h ARG 46 N 0.00 0.00 -6.56 -1.09 2.43 -0.88 -3.46 114.38 104.82 1j4g h ARG 46 Ca 0.00 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.47 1j4g h ARG 46 Cb 0.19 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.47 1j4g h ARG 46 CO 0.00 0.35 -0.85 0.71 -1.51 0.00 0.00 179.97 178.67 1j4g s TYR 47 N -3.16 2.44 0.21 2.20 2.02 -1.26 -1.11 117.35 118.69 1j4g s TYR 47 Ca 0.04 -0.35 0.11 0.00 -0.37 0.00 0.00 57.07 56.49 1j4g s TYR 47 Cb 0.08 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1j4g s TYR 47 CO 0.71 0.06 -0.22 0.00 -1.57 0.00 0.00 175.55 174.53 1j4g s ALA 48 N -0.69 2.46 -0.05 3.71 0.00 -0.71 -4.74 121.76 121.74 1j4g s ALA 48 Ca 0.11 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.45 1j4g s ALA 48 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1j4g s ALA 48 CO 0.00 0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 175.45 1j4g s LEU 49 N -2.86 2.65 -0.20 0.00 1.02 -1.26 -0.92 118.68 117.11 1j4g s LEU 49 Ca 0.22 -0.23 -0.02 0.00 0.02 0.00 0.00 54.13 54.11 1j4g s LEU 49 Cb -0.07 -1.53 -0.00 0.00 0.02 0.00 0.00 46.19 44.61 1j4g s LEU 49 CO 0.10 0.34 -0.09 -0.63 0.02 0.00 0.00 176.35 176.09 1j4g s ILE 50 N -0.70 3.05 -0.35 -0.59 1.01 0.32 -2.16 121.20 121.78 1j4g s ILE 50 Ca 0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 1j4g s ILE 50 Cb -0.11 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1j4g s ILE 50 CO 0.00 0.46 0.22 -1.00 0.00 0.00 0.00 174.94 174.63 1j4g s HIS 51 N 1.29 3.22 -0.22 3.97 3.76 -0.25 0.27 115.29 127.33 1j4g s HIS 51 Ca 0.03 -0.51 -0.04 0.00 -0.15 0.00 0.00 55.06 54.39 1j4g s HIS 51 Cb -0.14 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.08 1j4g s HIS 51 CO -0.04 -0.48 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.82 1j4g s LEU 52 N 1.65 2.93 -0.19 0.89 1.43 -0.51 -1.41 118.68 123.48 1j4g s LEU 52 Ca 0.05 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1j4g s LEU 52 Cb -0.18 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1j4g s LEU 52 CO 0.09 -0.01 -0.05 -0.89 0.23 0.00 0.00 176.35 175.71 1j4g s THR 53 N 1.41 3.49 0.67 5.49 2.01 -0.75 -1.70 115.64 126.26 1j4g s THR 53 Ca 0.05 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 1j4g s THR 53 Cb -0.14 -2.55 0.15 0.00 0.01 0.00 0.00 72.50 69.97 1j4g s THR 53 CO -0.02 0.46 0.92 -0.46 -0.69 0.00 0.00 174.62 174.82 1j4g n ASN 54 N 4.21 0.41 -0.22 3.53 0.23 -0.08 -1.07 115.26 122.26 1j4g n ASN 54 Ca -0.18 -1.54 0.05 0.00 -0.53 0.00 0.00 54.58 52.39 1j4g n ASN 54 Cb 0.52 -0.67 0.31 0.00 -2.08 0.00 0.00 39.78 37.86 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 -1.22 0.86 -0.01 -2.53 0.05 -1.89 0.40 116.97 112.62 1j4g h TYR 55 Ca -0.30 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1j4g h TYR 55 Cb 0.91 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.36 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 -2.43 2.51 -2.27 3.88 0.00 -1.26 -4.85 120.51 116.08 1j4g n ALA 56 Ca 0.11 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1j4g n ALA 56 Cb 0.21 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.32 -5.40 -4.78 0.00 2.03 0.13 -5.00 116.55 103.21 1j4g n ASP 57 Ca 0.00 0.03 -0.36 0.00 0.52 0.00 0.00 54.79 54.99 1j4g n ASP 57 Cb 0.09 -4.46 -0.08 0.00 -0.72 0.00 0.00 41.12 35.95 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 -4.80 3.33 0.02 -0.67 2.02 -1.26 -4.84 118.70 112.50 1j4g s GLU 58 Ca 0.00 -0.26 0.08 0.00 0.02 0.00 0.00 54.97 54.81 1j4g s GLU 58 Cb 0.00 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1j4g s GLU 58 CO 0.00 0.69 -0.23 0.99 0.02 0.00 0.00 175.26 176.74 1j4g s THR 59 N -0.82 2.41 0.12 3.63 2.01 -1.26 -0.90 115.64 120.83 1j4g s THR 59 Ca 0.13 -1.19 0.08 0.00 0.31 0.00 0.00 61.69 61.02 1j4g s THR 59 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1j4g s THR 59 CO 0.03 0.44 -0.18 0.27 -0.69 0.00 0.00 174.62 174.48 1j4g s ILE 60 N -0.78 1.62 -0.14 1.82 -0.00 -0.69 -4.56 121.20 118.47 1j4g s ILE 60 Ca 0.12 -1.67 -0.01 0.00 -0.00 0.00 0.00 60.65 59.09 1j4g s ILE 60 Cb -0.10 -1.59 -0.01 0.00 -0.00 0.00 0.00 42.46 40.75 1j4g s ILE 60 CO 0.02 -0.22 -0.11 -0.44 -0.00 0.00 0.00 174.94 174.19 1j4g s SER 61 N -2.23 4.10 -0.16 4.36 0.01 -0.70 -1.43 113.70 117.65 1j4g s SER 61 Ca 0.09 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1j4g s SER 61 Cb -0.08 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1j4g s SER 61 CO 0.05 0.14 -0.03 -0.69 0.41 0.00 0.00 173.24 173.12 1j4g s VAL 62 N 0.51 3.99 -0.20 3.43 1.01 0.14 -0.66 120.40 128.62 1j4g s VAL 62 Ca -0.08 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1j4g s VAL 62 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1j4g s VAL 62 CO 0.04 0.49 0.32 0.00 0.00 0.00 0.00 175.10 175.95 1j4g s ALA 63 N 0.36 3.58 0.13 5.51 0.00 -0.39 -0.53 121.76 130.41 1j4g s ALA 63 Ca -0.03 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.44 1j4g s ALA 63 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1j4g s ALA 63 CO 0.03 -0.19 -0.26 0.96 0.00 0.00 0.00 175.76 176.30 1j4g s ILE 64 N 1.06 2.16 -0.39 0.00 -4.36 -0.10 0.18 121.20 119.75 1j4g s ILE 64 Ca 0.16 -1.73 -0.22 0.00 -0.26 0.00 0.00 60.65 58.60 1j4g s ILE 64 Cb -0.14 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1j4g s ILE 64 CO 0.06 0.05 0.72 -0.62 0.24 0.00 0.00 174.94 175.39 1j4g s ASP 65 N -2.07 6.45 0.02 4.36 -1.08 -0.34 -1.73 116.67 122.28 1j4g s ASP 65 Ca 0.13 0.11 0.15 0.00 -0.52 0.00 0.00 52.55 52.42 1j4g s ASP 65 Cb -0.10 -2.36 0.65 0.00 -1.46 0.00 0.00 42.92 39.65 1j4g s ASP 65 CO 0.06 -0.73 1.49 1.33 0.52 0.00 0.00 175.17 177.84 1j4g n VAL 66 N 5.80 0.98 0.46 1.11 0.24 -0.26 -0.85 118.33 125.80 1j4g n VAL 66 Ca 0.01 0.24 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 1j4g n VAL 66 Cb 0.48 -1.00 0.21 0.00 -1.47 0.00 0.00 33.84 32.06 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 0.00 0.00 3.34 1.35 -1.79 -3.40 112.91 112.41 1j4g h THR 67 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1j4g h THR 67 Cb 0.26 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1j4g h THR 67 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 1j4g n ASN 68 N -2.39 0.00 0.00 5.36 0.23 -1.11 -4.72 115.26 112.63 1j4g n ASN 68 Ca 0.04 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 1j4g n ASN 68 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.00 0.00 -2.53 3.53 0.31 -0.03 -4.97 118.33 114.64 1j4g n VAL 69 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1j4g n VAL 69 Cb 0.49 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 32.85 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 -1.48 3.58 0.09 3.52 2.02 -1.25 -4.65 117.35 119.19 1j4g s TYR 70 Ca 0.00 1.72 -0.30 0.00 -0.37 0.00 0.00 57.07 58.12 1j4g s TYR 70 Cb 0.00 -3.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.30 1j4g s TYR 70 CO 0.00 -0.41 1.03 0.42 -1.57 0.00 0.00 175.55 175.01 1j4g s ILE 71 N -1.26 4.40 -0.15 2.71 1.01 -1.26 -1.20 121.20 125.45 1j4g s ILE 71 Ca 0.46 1.89 0.10 0.00 0.00 0.00 0.00 60.65 63.11 1j4g s ILE 71 Cb -0.29 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 37.73 1j4g s ILE 71 CO 0.37 0.24 0.25 0.23 0.00 0.00 0.00 174.94 176.03 1j4g n MET 72 N 3.13 0.67 -3.47 2.79 2.81 0.13 -4.94 117.12 118.24 1j4g n MET 72 Ca 0.04 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1j4g n MET 72 Cb 0.49 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.81 -0.85 3.69 3.03 0.00 -1.23 -2.21 105.19 109.43 1j4g n GLY 73 Ca -0.30 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 0.03 0.00 1.61 1.13 0.07 -1.26 117.35 115.92 1j4g s TYR 74 Ca 0.00 -0.42 0.05 0.00 -1.41 0.00 0.00 57.07 55.29 1j4g s TYR 74 Cb 0.00 0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 1j4g s TYR 74 CO 0.00 -1.08 -0.16 0.50 -2.51 0.00 0.00 175.55 172.29 1j4g s ARG 75 N -3.95 1.26 -0.19 -3.49 3.52 0.16 -0.42 118.95 115.85 1j4g s ARG 75 Ca 0.15 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1j4g s ARG 75 Cb -0.03 -1.24 0.06 0.00 -1.56 0.00 0.00 34.95 32.17 1j4g s ARG 75 CO 0.06 0.33 0.03 0.00 -0.81 0.00 0.00 175.30 174.91 1j4g s ALA 76 N -0.50 1.01 0.00 6.12 0.00 -0.33 -1.73 121.76 126.33 1j4g s ALA 76 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1j4g s ALA 76 Cb -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1j4g s ALA 76 CO -0.00 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1j4g n GLY 77 N 5.04 3.85 0.30 0.00 0.00 -1.26 -1.90 105.19 111.22 1j4g n GLY 77 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 6.14 0.87 -4.13 1.61 5.75 -1.26 -4.87 116.55 120.66 1j4g n ASP 78 Ca 0.00 -1.95 -0.25 0.00 -0.01 0.00 0.00 54.79 52.58 1j4g n ASP 78 Cb 0.00 -0.10 -0.16 0.00 -1.03 0.00 0.00 41.12 39.83 1j4g n ASP 78 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1j4g s THR 79 N -1.79 1.33 0.18 2.12 2.01 -0.80 -1.63 115.64 117.06 1j4g s THR 79 Ca 0.13 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1j4g s THR 79 Cb 0.07 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1j4g s THR 79 CO 0.09 0.38 0.11 -0.94 -0.69 0.00 0.00 174.62 173.58 1j4g s SER 80 N -0.07 5.32 -0.04 3.53 1.04 -0.68 -1.19 113.70 121.61 1j4g s SER 80 Ca -0.01 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 1j4g s SER 80 Cb -0.10 -1.32 0.03 0.00 0.10 0.00 0.00 66.02 64.73 1j4g s SER 80 CO 0.01 0.06 0.06 -0.31 0.98 0.00 0.00 173.24 174.03 1j4g s TYR 81 N -1.82 0.06 0.01 5.02 1.51 0.44 -0.64 117.35 121.93 1j4g s TYR 81 Ca 0.30 0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.70 1j4g s TYR 81 Cb -0.09 -0.46 -0.02 0.00 -0.11 0.00 0.00 41.96 41.28 1j4g s TYR 81 CO 0.22 -0.18 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.17 1j4g s PHE 82 N 2.07 2.24 0.68 2.71 0.40 -0.42 -0.75 117.98 124.90 1j4g s PHE 82 Ca 0.04 -0.42 -0.17 0.00 -0.60 0.00 0.00 56.93 55.78 1j4g s PHE 82 Cb -0.12 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.02 1j4g s PHE 82 CO -0.03 0.04 1.28 -0.06 0.70 0.00 0.00 175.22 177.14 1j4g s PHE 83 N -0.69 2.04 -1.29 0.36 0.08 -0.94 -0.26 117.98 117.28 1j4g s PHE 83 Ca 0.10 1.52 -0.16 0.00 0.12 0.00 0.00 56.93 58.51 1j4g s PHE 83 Cb -0.10 -3.65 0.10 0.00 -0.57 0.00 0.00 43.02 38.81 1j4g s PHE 83 CO 0.00 -2.89 1.71 -1.71 -0.10 0.00 0.00 175.22 172.23 1j4g n ASN 84 N -2.16 4.93 -3.47 1.36 5.15 0.31 -4.57 115.26 116.81 1j4g n ASN 84 Ca 0.15 -2.94 -0.13 0.00 -0.60 0.00 0.00 54.58 51.06 1j4g n ASN 84 Cb 0.49 -1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.03 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 3.06 1.12 0.22 1.20 -1.05 -1.26 -3.84 118.70 118.15 1j4g s GLU 85 Ca 0.49 -0.22 -0.08 0.00 -0.15 0.00 0.00 54.97 55.01 1j4g s GLU 85 Cb 0.03 0.52 0.36 0.00 -0.44 0.00 0.00 34.13 34.61 1j4g s GLU 85 CO 0.03 -0.45 1.71 0.00 0.95 0.00 0.00 175.26 177.50 1j4g h ALA 86 N 2.30 0.84 -0.17 -0.84 0.00 -1.99 -1.28 119.26 118.12 1j4g h ALA 86 Ca -0.30 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j4g h ALA 86 Cb 1.25 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1j4g h ALA 86 CO 0.37 -0.28 -0.10 0.66 0.00 0.00 0.00 179.25 179.90 1j4g h SER 87 N 0.31 0.24 0.44 0.00 4.64 -1.97 -1.41 113.55 115.80 1j4g h SER 87 Ca 0.36 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.39 1j4g h SER 87 Cb 0.55 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1j4g h SER 87 CO -0.42 0.37 -1.03 0.00 -0.87 0.00 0.00 176.83 174.88 1j4g h ALA 88 N 1.66 0.29 -0.45 5.18 0.00 -1.57 -1.64 119.26 122.73 1j4g h ALA 88 Ca 0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1j4g h ALA 88 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1j4g h ALA 88 CO 0.02 0.87 0.01 1.15 0.00 0.00 0.00 179.25 181.29 1j4g h THR 89 N 0.17 1.23 -0.33 0.00 2.02 -0.74 -0.74 112.91 114.53 1j4g h THR 89 Ca -0.10 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 1j4g h THR 89 Cb 1.70 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1j4g h THR 89 CO 0.17 0.34 -0.07 -0.08 0.37 0.00 0.00 175.52 176.25 1j4g h GLU 90 N 0.70 0.63 -0.61 6.66 4.57 -1.19 -2.88 114.58 122.46 1j4g h GLU 90 Ca 0.14 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1j4g h GLU 90 Cb 0.42 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1j4g h GLU 90 CO 0.02 0.80 0.39 0.00 -1.18 0.00 0.00 179.01 179.03 1j4g h ALA 91 N 0.81 1.54 0.00 2.92 0.00 -0.87 -1.37 119.26 122.30 1j4g h ALA 91 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j4g h ALA 91 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j4g h ALA 91 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1j4g n ALA 92 N -2.44 1.07 1.31 0.00 0.00 -0.32 -0.01 120.51 120.11 1j4g n ALA 92 Ca 0.06 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1j4g n ALA 92 Cb 0.05 -1.26 0.55 0.00 0.00 0.00 0.00 19.45 18.79 1j4g n ALA 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j4g n LYS 93 N -2.12 0.57 0.00 0.00 5.02 -0.51 -4.21 118.16 116.90 1j4g n LYS 93 Ca -0.01 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1j4g n LYS 93 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1j4g n LYS 93 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j4g n TYR 94 N -1.03 0.00 -4.25 2.13 4.02 0.99 -5.02 117.16 114.00 1j4g n TYR 94 Ca 0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.83 1j4g n TYR 94 Cb 0.30 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.49 1j4g n TYR 94 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1j4g s VAL 95 N -0.84 0.99 -1.41 -0.72 1.01 -0.64 -4.79 120.40 113.99 1j4g s VAL 95 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1j4g s VAL 95 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1j4g s VAL 95 CO 0.00 -0.11 0.00 0.49 0.00 0.00 0.00 175.10 175.48 1j4g n PHE 96 N 1.72 -0.91 0.28 5.22 3.72 -1.26 -4.66 117.46 121.57 1j4g n PHE 96 Ca -0.19 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.34 1j4g n PHE 96 Cb 0.55 -3.03 0.86 0.00 -0.94 0.00 0.00 39.48 36.91 1j4g n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1j4g h LYS 97 N 0.00 0.00 -0.63 -1.08 1.57 -1.87 -2.05 116.57 112.51 1j4g h LYS 97 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1j4g h LYS 97 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1j4g h LYS 97 CO 0.44 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.85 1j4g n ASP 98 N -3.99 3.87 -4.73 0.86 2.03 -1.26 -4.93 116.55 108.39 1j4g n ASP 98 Ca -0.03 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.50 1j4g n ASP 98 Cb 0.09 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1j4g n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j4g s ALA 99 N -1.82 3.59 0.22 -1.67 0.00 -0.77 -4.91 121.76 116.39 1j4g s ALA 99 Ca 0.40 1.19 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 1j4g s ALA 99 Cb 0.26 -3.52 0.19 0.00 0.00 0.00 0.00 23.12 20.04 1j4g s ALA 99 CO 0.19 -0.63 1.87 1.98 0.00 0.00 0.00 175.76 179.17 1j4g h MET 100 N 5.67 1.13 -6.14 0.00 4.05 -1.73 -3.42 114.93 114.49 1j4g h MET 100 Ca -0.44 -0.10 -0.65 0.00 -0.28 0.00 0.00 59.70 58.22 1j4g h MET 100 Cb 1.21 -0.24 -0.30 0.00 -0.80 0.00 0.00 31.60 31.47 1j4g h MET 100 CO 0.80 0.79 -0.87 0.50 0.23 0.00 0.00 176.91 178.36 1j4g s ARG 101 N -5.99 2.05 -0.18 0.39 3.52 -0.65 -5.05 118.95 113.04 1j4g s ARG 101 Ca -0.13 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.65 1j4g s ARG 101 Cb 0.16 -1.89 0.03 0.00 -1.56 0.00 0.00 34.95 31.69 1j4g s ARG 101 CO 0.80 0.45 -0.15 0.15 -0.81 0.00 0.00 175.30 175.74 1j4g s LYS 102 N -0.39 2.47 -0.14 5.12 1.02 -1.26 -1.69 119.74 124.87 1j4g s LYS 102 Ca 0.04 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 1j4g s LYS 102 Cb -0.10 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1j4g s LYS 102 CO 0.01 -0.31 -0.00 0.08 -0.92 0.00 0.00 175.35 174.21 1j4g s VAL 103 N 1.36 4.22 -0.30 3.17 1.01 0.18 -4.97 120.40 125.08 1j4g s VAL 103 Ca 0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1j4g s VAL 103 Cb -0.14 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1j4g s VAL 103 CO -0.10 0.52 0.25 -0.89 0.00 0.00 0.00 175.10 174.88 1j4g s THR 104 N 0.03 5.26 0.75 3.92 2.01 -1.26 -1.30 115.64 125.06 1j4g s THR 104 Ca 0.02 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 1j4g s THR 104 Cb -0.13 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1j4g s THR 104 CO 0.02 0.14 0.96 0.18 -0.69 0.00 0.00 174.62 175.23 1j4g n LEU 105 N 5.16 3.32 -0.31 4.42 4.77 0.64 -4.90 117.00 130.09 1j4g n LEU 105 Ca -0.12 0.62 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1j4g n LEU 105 Cb 0.51 -1.41 0.15 0.00 -2.33 0.00 0.00 43.42 40.35 1j4g n LEU 105 CO 0.35 -2.12 1.25 -0.65 -1.33 0.00 0.00 177.39 174.89 1j4g h PRO 106 N -0.48 1.19 -5.92 3.23 0.11 -1.97 -3.33 132.00 124.83 1j4g h PRO 106 Ca -0.47 -0.09 -0.56 0.00 0.11 0.00 0.00 66.00 65.00 1j4g h PRO 106 Cb 1.32 -0.26 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 1j4g h PRO 106 CO 0.46 0.81 -0.47 1.52 -0.21 0.00 0.00 178.00 180.11 1j4g s TYR 107 N -5.96 2.54 0.87 0.65 -0.85 -1.26 -4.75 117.35 108.60 1j4g s TYR 107 Ca -0.12 -0.60 -0.11 0.00 -0.52 0.00 0.00 57.07 55.72 1j4g s TYR 107 Cb 0.18 -1.98 0.16 0.00 0.38 0.00 0.00 41.96 40.69 1j4g s TYR 107 CO 0.81 0.10 1.21 -1.54 -1.52 0.00 0.00 175.55 174.61 1j4g s SER 108 N -3.96 3.69 -0.03 -0.18 1.04 -1.25 -0.53 113.70 112.48 1j4g s SER 108 Ca 0.41 0.20 0.11 0.00 0.48 0.00 0.00 55.95 57.15 1j4g s SER 108 Cb 0.02 -0.42 0.37 0.00 0.10 0.00 0.00 66.02 66.10 1j4g s SER 108 CO 0.23 -2.35 1.27 0.61 0.98 0.00 0.00 173.24 173.97 1j4g n GLY 109 N -3.44 1.19 3.76 7.32 0.00 -1.26 -4.57 105.19 108.19 1j4g n GLY 109 Ca 0.14 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1j4g n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j4g s ASN 110 N -0.87 7.15 0.23 1.61 3.84 -1.26 -4.92 114.94 120.72 1j4g s ASN 110 Ca 0.27 2.33 -0.06 0.00 0.21 0.00 0.00 52.86 55.61 1j4g s ASN 110 Cb 0.16 -2.63 0.30 0.00 -0.55 0.00 0.00 41.25 38.54 1j4g s ASN 110 CO 0.16 -0.26 1.85 1.88 -2.79 0.00 0.00 177.10 177.94 1j4g h TYR 111 N 4.07 0.93 -0.34 0.43 0.05 -1.98 0.11 116.97 120.24 1j4g h TYR 111 Ca -0.47 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.26 1j4g h TYR 111 Cb 1.21 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.64 1j4g h TYR 111 CO 0.59 0.48 -0.12 0.93 -1.05 0.00 0.00 178.16 178.99 1j4g h GLU 112 N 0.93 0.59 -0.16 4.88 3.07 -1.98 0.86 114.58 122.77 1j4g h GLU 112 Ca 0.35 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1j4g h GLU 112 Cb 0.15 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1j4g h GLU 112 CO -0.17 0.70 -0.10 0.00 -1.40 0.00 0.00 179.01 178.05 1j4g h ARG 113 N 0.54 0.34 -0.62 2.33 2.47 -1.82 -2.12 114.38 115.51 1j4g h ARG 113 Ca 0.10 -0.16 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1j4g h ARG 113 Cb 0.53 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 1j4g h ARG 113 CO 0.03 0.68 0.38 -0.07 0.56 0.00 0.00 179.97 181.55 1j4g h LEU 114 N 0.00 0.62 -0.80 3.04 3.38 -0.69 0.90 115.31 121.76 1j4g h LEU 114 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1j4g h LEU 114 Cb 0.59 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1j4g h LEU 114 CO 0.03 0.43 -0.01 1.56 0.09 0.00 0.00 178.44 180.54 1j4g h GLN 115 N 0.75 0.89 -0.28 1.13 4.20 -0.84 0.61 115.11 121.57 1j4g h GLN 115 Ca 0.25 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1j4g h GLN 115 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1j4g h GLN 115 CO -0.10 0.89 0.03 1.15 -0.67 0.00 0.00 178.83 180.13 1j4g h THR 116 N 0.82 1.24 -0.68 -0.54 2.02 -0.85 0.27 112.91 115.19 1j4g h THR 116 Ca 0.15 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1j4g h THR 116 Cb 0.50 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1j4g h THR 116 CO 0.03 0.27 0.38 0.00 0.37 0.00 0.00 175.52 176.57 1j4g h ALA 117 N 0.85 1.40 0.00 6.16 0.00 -0.44 -2.83 119.26 124.40 1j4g h ALA 117 Ca 0.08 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1j4g h ALA 117 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1j4g h ALA 117 CO 0.01 0.50 -0.84 0.00 0.00 0.00 0.00 179.25 178.92 1j4g h ALA 118 N 1.48 0.58 -0.13 0.00 0.00 -0.65 -3.48 119.26 117.06 1j4g h ALA 118 Ca 0.24 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1j4g h ALA 118 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j4g h ALA 118 CO -0.04 0.90 -0.05 0.41 0.00 0.00 0.00 179.25 180.47 1j4g n GLY 119 N 1.30 0.60 3.04 0.00 0.00 0.93 -4.95 105.19 106.12 1j4g n GLY 119 Ca -0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.09 0.44 0.17 1.61 1.02 -1.05 -5.05 119.74 114.80 1j4g s LYS 120 Ca 0.00 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.26 1j4g s LYS 120 Cb 0.00 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1j4g s LYS 120 CO 0.00 -0.09 0.11 0.96 -0.92 0.00 0.00 175.35 175.42 1j4g s ILE 121 N -2.29 4.32 0.40 2.17 -0.00 -1.26 -4.41 121.20 120.13 1j4g s ILE 121 Ca -0.08 -1.17 0.12 0.00 -0.00 0.00 0.00 60.65 59.52 1j4g s ILE 121 Cb -0.04 -3.21 0.33 0.00 -0.00 0.00 0.00 42.46 39.55 1j4g s ILE 121 CO -0.04 -0.12 1.92 0.03 -0.00 0.00 0.00 174.94 176.73 1j4g h ARG 122 N 2.42 0.53 -0.16 0.37 -0.00 -1.96 -0.86 114.38 114.72 1j4g h ARG 122 Ca -0.47 -0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.02 1j4g h ARG 122 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 31.05 1j4g h ARG 122 CO 0.62 0.35 0.22 0.93 0.00 0.00 0.00 179.97 182.09 1j4g h GLU 123 N 0.54 0.00 -0.47 0.04 3.07 -1.96 -1.45 114.58 114.35 1j4g h GLU 123 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1j4g h GLU 123 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1j4g h GLU 123 CO -0.13 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.57 1j4g n ASN 124 N -3.58 3.36 -4.40 1.42 3.02 -0.33 -4.29 115.26 110.47 1j4g n ASN 124 Ca 0.01 -1.96 -0.40 0.00 -0.03 0.00 0.00 54.58 52.21 1j4g n ASN 124 Cb 0.33 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.11 4.56 0.45 2.41 -1.09 -0.55 -5.00 121.20 120.87 1j4g s ILE 125 Ca 0.36 -0.69 -0.24 0.00 -2.23 0.00 0.00 60.65 57.85 1j4g s ILE 125 Cb 0.19 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.53 1j4g s ILE 125 CO 0.26 -0.11 1.22 -2.65 -1.23 0.00 0.00 174.94 172.43 1j4g n PRO 126 N 4.98 1.73 -4.69 2.79 -0.02 -1.26 -4.43 135.00 134.10 1j4g n PRO 126 Ca -0.13 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.66 1j4g n PRO 126 Cb 0.47 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.78 2.20 0.00 2.45 1.43 -0.05 -4.88 118.68 118.04 1j4g s LEU 127 Ca 0.64 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1j4g s LEU 127 Cb -0.49 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1j4g s LEU 127 CO 0.56 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1j4g n GLY 128 N -1.16 2.47 0.21 -3.19 0.00 -1.26 -1.76 105.19 100.49 1j4g n GLY 128 Ca -0.15 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 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 0.59 -1.95 0.99 3.38 -0.97 -2.03 115.31 115.32 1j4g h LEU 129 Ca 0.00 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1j4g h LEU 129 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1j4g h LEU 129 CO 0.00 0.49 0.11 -0.65 0.09 0.00 0.00 178.44 178.48 1j4g h PRO 130 N 0.64 0.06 -0.07 1.13 0.11 -1.78 0.18 132.00 132.27 1j4g h PRO 130 Ca 0.17 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.06 1j4g h PRO 130 Cb 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1j4g h PRO 130 CO -0.03 0.04 -0.83 0.00 -0.21 0.00 0.00 178.00 176.97 1j4g h ALA 131 N 1.92 0.41 -0.31 -0.75 0.00 -1.70 0.07 119.26 118.90 1j4g h ALA 131 Ca 0.07 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1j4g h ALA 131 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1j4g h ALA 131 CO -0.01 0.75 -0.03 1.25 0.00 0.00 0.00 179.25 181.22 1j4g h LEU 132 N 0.35 0.56 -0.35 0.00 5.85 -0.57 -0.29 115.31 120.85 1j4g h LEU 132 Ca -0.06 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1j4g h LEU 132 Cb 1.45 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 1j4g h LEU 132 CO 0.15 0.76 -0.17 -0.78 -0.34 0.00 0.00 178.44 178.06 1j4g h ASP 133 N 0.35 -0.59 -0.66 1.25 3.58 -0.50 -0.12 116.42 119.74 1j4g h ASP 133 Ca 0.08 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1j4g h ASP 133 Cb 0.49 0.32 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 1j4g h ASP 133 CO 0.02 -0.21 0.42 -1.28 -2.88 0.00 0.00 179.24 175.31 1j4g h SER 134 N -0.11 0.78 -0.56 2.28 0.87 -0.66 -1.64 113.55 114.51 1j4g h SER 134 Ca 0.18 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1j4g h SER 134 Cb 0.39 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1j4g h SER 134 CO -0.43 0.59 0.14 0.00 -0.53 0.00 0.00 176.83 176.60 1j4g h ALA 135 N 1.22 1.13 -0.38 6.23 0.00 -0.26 -0.75 119.26 126.44 1j4g h ALA 135 Ca 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j4g h ALA 135 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1j4g h ALA 135 CO -0.05 0.59 0.23 0.82 0.00 0.00 0.00 179.25 180.84 1j4g h ILE 136 N 0.89 1.12 -0.22 0.00 1.08 -0.59 -0.11 117.51 119.69 1j4g h ILE 136 Ca 0.19 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1j4g h ILE 136 Cb 0.32 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 1j4g h ILE 136 CO -0.00 0.12 0.10 0.74 -0.69 0.00 0.00 178.15 178.42 1j4g h THR 137 N 0.50 0.98 -0.87 -0.27 2.02 -0.78 0.76 112.91 115.25 1j4g h THR 137 Ca 0.14 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1j4g h THR 137 Cb -0.00 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1j4g h THR 137 CO -0.03 0.04 0.57 0.74 0.37 0.00 0.00 175.52 177.21 1j4g h THR 138 N 0.21 1.11 0.11 3.16 2.02 -0.81 -1.69 112.91 117.02 1j4g h THR 138 Ca 0.09 -0.36 -0.27 0.00 0.77 0.00 0.00 66.41 66.65 1j4g h THR 138 Cb 0.04 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1j4g h THR 138 CO -0.07 0.19 -1.19 -0.07 0.37 0.00 0.00 175.52 174.75 1j4g h LEU 139 N 1.04 0.47 -1.26 2.58 3.38 -0.63 -2.93 115.31 117.96 1j4g h LEU 139 Ca 0.36 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1j4g h LEU 139 Cb 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1j4g h LEU 139 CO -0.12 1.35 0.51 0.15 0.09 0.00 0.00 178.44 180.42 1j4g h PHE 140 N 0.11 0.93 -2.10 1.13 3.57 -0.54 -2.16 116.94 117.89 1j4g h PHE 140 Ca -0.13 0.02 -0.70 0.00 3.53 0.00 0.00 57.97 60.69 1j4g h PHE 140 Cb 1.90 -0.31 -0.34 0.00 2.79 0.00 0.00 35.95 39.98 1j4g h PHE 140 CO 0.07 0.56 0.25 0.66 -2.23 0.00 0.00 178.31 177.62 1j4g n TYR 141 N -4.44 3.31 -1.19 0.41 4.01 -0.66 -4.92 117.16 113.67 1j4g n TYR 141 Ca 0.09 -3.04 -0.47 0.00 -0.16 0.00 0.00 57.90 54.32 1j4g n TYR 141 Cb 0.08 -0.80 -0.06 0.00 -0.31 0.00 0.00 39.34 38.25 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 -0.28 0.60 -3.71 -0.72 9.36 -0.81 -4.87 117.16 116.72 1j4g n TYR 142 Ca 0.42 0.84 -0.22 0.00 3.32 0.00 0.00 57.90 62.26 1j4g n TYR 142 Cb 0.36 -1.65 -0.18 0.00 -0.63 0.00 0.00 39.34 37.25 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 0.26 1.53 0.50 2.98 2.47 -1.26 -5.04 114.94 116.38 1j4g s ASN 143 Ca 0.72 -0.10 0.35 0.00 0.42 0.00 0.00 52.86 54.25 1j4g s ASN 143 Cb -1.01 -0.31 1.48 0.00 -1.45 0.00 0.00 41.25 39.96 1j4g s ASN 143 CO 0.47 -0.24 1.71 0.00 -3.72 0.00 0.00 177.10 175.32 1j4g h ALA 144 N 8.38 3.03 -0.44 1.71 0.00 -1.98 -1.27 119.26 128.69 1j4g h ALA 144 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j4g h ALA 144 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j4g h ALA 144 CO 0.22 -1.50 0.00 -1.71 0.00 0.00 0.00 179.25 176.26 1j4g n ASN 145 N -4.33 3.20 0.00 0.00 5.15 -1.26 -4.24 115.26 113.79 1j4g n ASN 145 Ca 0.32 -1.96 0.00 0.00 -0.60 0.00 0.00 54.58 52.34 1j4g n ASN 145 Cb 1.38 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 40.34 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 1.29 0.09 -0.03 1.20 3.41 -0.53 -4.84 113.62 114.23 1j4g n SER 146 Ca 0.20 -0.31 -0.03 0.00 -0.26 0.00 0.00 58.87 58.46 1j4g n SER 146 Cb 0.55 0.64 0.20 0.00 -0.26 0.00 0.00 64.21 65.34 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 1.15 -0.19 7.33 0.00 -1.61 -3.08 119.26 122.85 1j4g h ALA 147 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1j4g h ALA 147 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1j4g h ALA 147 CO 0.00 0.54 0.09 0.00 0.00 0.00 0.00 179.25 179.88 1j4g h ALA 148 N 1.32 0.23 -0.71 0.00 0.00 -1.88 0.18 119.26 118.41 1j4g h ALA 148 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1j4g h ALA 148 Cb 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1j4g h ALA 148 CO 0.03 -0.33 0.24 1.03 0.00 0.00 0.00 179.25 180.22 1j4g h SER 149 N 0.19 1.00 0.17 0.00 0.87 -1.85 -2.11 113.55 111.83 1j4g h SER 149 Ca 0.08 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.36 1j4g h SER 149 Cb 0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1j4g h SER 149 CO -0.06 0.92 -0.38 0.00 -0.53 0.00 0.00 176.83 176.77 1j4g h ALA 150 N 1.21 1.10 -0.10 6.23 0.00 -1.33 -2.36 119.26 124.01 1j4g h ALA 150 Ca 0.23 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1j4g h ALA 150 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1j4g h ALA 150 CO -0.01 0.58 -0.37 -0.07 0.00 0.00 0.00 179.25 179.38 1j4g h LEU 151 N 0.25 0.22 -0.35 0.00 3.38 -0.22 0.58 115.31 119.16 1j4g h LEU 151 Ca 0.03 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1j4g h LEU 151 Cb 0.79 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1j4g h LEU 151 CO 0.06 0.58 -0.48 0.24 0.09 0.00 0.00 178.44 178.93 1j4g h MET 152 N 0.18 0.89 -0.47 1.13 2.86 -1.09 0.94 114.93 119.37 1j4g h MET 152 Ca 0.02 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 1j4g h MET 152 Cb 0.74 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1j4g h MET 152 CO 0.06 1.16 0.18 0.28 1.06 0.00 0.00 176.91 179.65 1j4g h VAL 153 N 0.70 1.21 -0.15 -2.22 2.07 -1.08 -2.38 116.25 114.40 1j4g h VAL 153 Ca 0.03 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1j4g h VAL 153 Cb 1.08 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1j4g h VAL 153 CO 0.11 0.24 0.07 0.25 0.02 0.00 0.00 177.57 178.26 1j4g h LEU 154 N 0.62 0.11 0.05 2.57 5.85 -0.67 -0.79 115.31 123.04 1j4g h LEU 154 Ca 0.16 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1j4g h LEU 154 Cb 0.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1j4g h LEU 154 CO -0.01 0.08 -0.02 0.40 -0.34 0.00 0.00 178.44 178.55 1j4g h ILE 155 N 0.15 0.95 -0.30 4.05 5.03 -0.80 -2.44 117.51 124.16 1j4g h ILE 155 Ca 0.06 -0.01 -0.01 0.00 -0.12 0.00 0.00 64.86 64.77 1j4g h ILE 155 Cb 0.01 0.96 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 1j4g h ILE 155 CO -0.04 0.00 0.14 1.56 -0.68 0.00 0.00 178.15 179.13 1j4g h GLN 156 N -0.07 0.41 -0.00 2.37 4.20 -1.29 0.39 115.11 121.11 1j4g h GLN 156 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1j4g h GLN 156 Cb 0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1j4g h GLN 156 CO 0.01 0.32 -0.10 0.43 -0.67 0.00 0.00 178.83 178.83 1j4g n SER 157 N -4.43 0.25 0.00 1.46 7.64 -0.31 -2.33 113.62 115.89 1j4g n SER 157 Ca 0.01 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1j4g n SER 157 Cb 0.12 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.20 0.00 -0.05 0.44 -2.24 -0.75 -4.64 114.28 105.83 1j4g n THR 158 Ca 0.12 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1j4g n THR 158 Cb 0.28 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.20 0.43 3.42 0.02 -1.17 -0.34 113.55 116.11 1j4g h SER 159 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 1j4g h SER 159 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1j4g h SER 159 CO 0.00 0.15 -0.75 -0.33 -1.14 0.00 0.00 176.83 174.76 1j4g h GLU 160 N 0.27 0.26 -0.42 3.45 4.39 -1.50 -1.30 114.58 119.73 1j4g h GLU 160 Ca 0.09 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1j4g h GLU 160 Cb 0.00 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1j4g h GLU 160 CO -0.05 0.89 -0.03 0.00 -1.16 0.00 0.00 179.01 178.66 1j4g h ALA 161 N 1.04 1.16 -0.25 3.43 0.00 -1.32 -1.61 119.26 121.72 1j4g h ALA 161 Ca -0.03 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1j4g h ALA 161 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1j4g h ALA 161 CO 0.12 0.54 -0.48 0.00 0.00 0.00 0.00 179.25 179.42 1j4g h ALA 162 N 1.32 0.68 0.00 0.00 0.00 -0.77 -3.20 119.26 117.29 1j4g h ALA 162 Ca 0.13 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1j4g h ALA 162 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1j4g h ALA 162 CO 0.02 0.67 -0.51 0.00 0.00 0.00 0.00 179.25 179.44 1j4g h ARG 163 N 0.53 0.00 -3.88 0.00 3.08 -0.79 -3.40 114.38 109.92 1j4g h ARG 163 Ca 0.03 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.63 1j4g h ARG 163 Cb 1.03 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.72 1j4g h ARG 163 CO 0.10 0.51 -0.77 0.71 -1.07 0.00 0.00 179.97 179.44 1j4g s TYR 164 N -3.84 0.82 0.47 3.04 2.02 -0.65 0.26 117.35 119.48 1j4g s TYR 164 Ca -0.02 -0.27 0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1j4g s TYR 164 Cb 0.13 -0.83 1.11 0.00 -0.40 0.00 0.00 41.96 41.97 1j4g s TYR 164 CO 0.74 -0.32 2.09 0.87 -1.57 0.00 0.00 175.55 177.36 1j4g h LYS 165 N 7.99 0.23 -0.35 -0.62 1.57 -1.05 -2.19 116.57 122.14 1j4g h LYS 165 Ca -0.26 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1j4g h LYS 165 Cb 1.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1j4g h LYS 165 CO 0.34 0.15 0.13 0.35 -0.57 0.00 0.00 179.45 179.85 1j4g h PHE 166 N 0.23 0.55 -0.34 -1.35 3.57 -1.89 -0.86 116.94 116.86 1j4g h PHE 166 Ca 0.10 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1j4g h PHE 166 Cb 0.11 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1j4g h PHE 166 CO -0.00 0.52 0.01 0.82 -2.23 0.00 0.00 178.31 177.43 1j4g h ILE 167 N 0.42 1.25 -0.05 1.41 2.04 -1.77 0.07 117.51 120.90 1j4g h ILE 167 Ca 0.12 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1j4g h ILE 167 Cb 0.21 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1j4g h ILE 167 CO -0.01 0.31 -0.28 -0.08 0.00 0.00 0.00 178.15 178.10 1j4g h GLU 168 N 0.41 -0.38 -0.31 2.37 4.81 -1.28 0.56 114.58 120.76 1j4g h GLU 168 Ca 0.10 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1j4g h GLU 168 Cb 0.43 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1j4g h GLU 168 CO 0.02 -0.25 0.15 0.37 -0.73 0.00 0.00 179.01 178.56 1j4g h GLN 169 N -0.39 0.31 -0.35 1.92 -0.00 -1.05 -1.05 115.11 114.49 1j4g h GLN 169 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1j4g h GLN 169 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.90 1j4g h GLN 169 CO -0.28 0.20 0.23 1.96 0.00 0.00 0.00 178.83 180.95 1j4g h GLN 170 N 0.32 0.46 -0.20 1.69 1.08 -0.53 -2.54 115.11 115.39 1j4g h GLN 170 Ca 0.13 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 1j4g h GLN 170 Cb 0.05 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1j4g h GLN 170 CO -0.09 0.30 -0.20 0.82 -0.95 0.00 0.00 178.83 178.71 1j4g h ILE 171 N 0.47 1.33 0.00 2.54 5.03 -0.76 -3.16 117.51 122.96 1j4g h ILE 171 Ca 0.13 -1.36 0.00 0.00 -0.12 0.00 0.00 64.86 63.51 1j4g h ILE 171 Cb -0.05 1.76 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 1j4g h ILE 171 CO -0.03 0.42 0.00 1.23 -0.68 0.00 0.00 178.15 179.09 1j4g h GLY 172 N 0.16 0.00 2.00 5.37 0.00 -1.17 -2.53 103.07 106.91 1j4g h GLY 172 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1j4g h GLY 172 CO 0.05 0.00 -0.21 1.70 0.00 0.00 0.00 176.54 178.08 1j4g h LYS 173 N 0.00 0.00 -4.21 4.80 3.64 -1.41 -3.33 116.57 116.05 1j4g h LYS 173 Ca 0.00 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.62 1j4g h LYS 173 Cb 0.30 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 31.88 1j4g h LYS 173 CO 0.00 0.21 0.33 1.03 -2.27 0.00 0.00 179.45 178.75 1j4g s ARG 174 N -3.31 3.60 -0.18 1.90 3.00 -0.95 -4.84 118.95 118.16 1j4g s ARG 174 Ca 0.04 -2.23 -0.16 0.00 0.00 0.00 0.00 55.73 53.37 1j4g s ARG 174 Cb 0.08 -4.58 -0.21 0.00 0.00 0.00 0.00 34.95 30.24 1j4g s ARG 174 CO 0.67 -1.44 0.24 0.28 0.00 0.00 0.00 175.30 175.04 1j4g n VAL 175 N 4.46 1.62 -1.02 3.52 0.31 -1.26 -0.57 118.33 125.38 1j4g n VAL 175 Ca 0.17 -0.26 0.09 0.00 -0.01 0.00 0.00 64.34 64.33 1j4g n VAL 175 Cb 0.48 -1.93 0.19 0.00 -0.91 0.00 0.00 33.84 31.67 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 -4.10 3.01 -3.09 4.52 5.75 -1.26 -4.25 116.55 117.12 1j4g n ASP 176 Ca -0.33 -3.04 -0.11 0.00 -0.01 0.00 0.00 54.79 51.30 1j4g n ASP 176 Cb 0.82 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1j4g n ASP 176 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1j4g s LYS 177 N -2.83 2.10 0.38 0.11 -2.85 -1.26 -5.03 119.74 110.37 1j4g s LYS 177 Ca 0.36 -1.52 0.04 0.00 -1.00 0.00 0.00 55.97 53.86 1j4g s LYS 177 Cb 0.30 0.57 -0.06 0.00 -2.06 0.00 0.00 37.83 36.58 1j4g s LYS 177 CO 0.06 -0.95 0.05 0.95 0.10 0.00 0.00 175.35 175.55 1j4g s THR 178 N -2.65 1.33 0.01 3.79 -4.23 -1.26 -4.36 115.64 108.26 1j4g s THR 178 Ca 0.20 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.51 1j4g s THR 178 Cb -0.04 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1j4g s THR 178 CO 0.14 0.00 0.44 0.72 -0.54 0.00 0.00 174.62 175.38 1j4g s PHE 179 N -3.08 -0.33 -0.01 3.99 -0.12 -0.72 -4.96 117.98 112.76 1j4g s PHE 179 Ca 0.31 0.43 -0.22 0.00 -0.05 0.00 0.00 56.93 57.40 1j4g s PHE 179 Cb 0.07 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 1j4g s PHE 179 CO 0.15 -0.53 0.65 -0.51 -0.05 0.00 0.00 175.22 174.93 1j4g s LEU 180 N -1.63 4.40 0.37 -1.99 1.43 -1.26 -0.87 118.68 119.12 1j4g s LEU 180 Ca -0.09 1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 53.95 1j4g s LEU 180 Cb -0.02 -3.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 1j4g s LEU 180 CO 0.02 0.04 1.35 -2.16 0.23 0.00 0.00 176.35 175.83 1j4g s PRO 181 N 0.06 4.15 0.79 1.29 0.04 -1.26 -4.98 135.00 135.08 1j4g s PRO 181 Ca 0.34 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 1j4g s PRO 181 Cb -0.18 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.49 1j4g s PRO 181 CO 0.18 -0.39 1.09 -1.54 0.04 0.00 0.00 177.00 176.38 1j4g s SER 182 N -0.50 4.50 0.46 6.66 1.04 -1.26 -4.71 113.70 119.89 1j4g s SER 182 Ca 0.53 1.53 0.13 0.00 0.48 0.00 0.00 55.95 58.62 1j4g s SER 182 Cb -0.41 -2.29 1.08 0.00 0.10 0.00 0.00 66.02 64.50 1j4g s SER 182 CO 0.54 -2.00 2.07 -0.07 0.98 0.00 0.00 173.24 174.76 1j4g h LEU 183 N -1.10 0.25 -0.55 2.42 3.38 -1.93 -1.80 115.31 115.98 1j4g h LEU 183 Ca -0.46 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1j4g h LEU 183 Cb 1.25 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1j4g h LEU 183 CO 0.56 0.17 0.32 0.00 0.09 0.00 0.00 178.44 179.58 1j4g h ALA 184 N 1.82 0.72 -0.25 1.53 0.00 -1.77 0.05 119.26 121.35 1j4g h ALA 184 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j4g h ALA 184 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j4g h ALA 184 CO -0.03 0.02 0.15 0.82 0.00 0.00 0.00 179.25 180.22 1j4g h ILE 185 N 0.63 1.09 -0.76 0.00 2.04 -1.63 -0.30 117.51 118.58 1j4g h ILE 185 Ca 0.23 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1j4g h ILE 185 Cb 0.06 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1j4g h ILE 185 CO -0.12 0.09 0.29 0.40 0.00 0.00 0.00 178.15 178.81 1j4g h ILE 186 N 0.32 1.26 -0.51 -0.67 1.08 -1.39 -2.28 117.51 115.32 1j4g h ILE 186 Ca 0.09 -0.82 -0.09 0.00 -0.39 0.00 0.00 64.86 63.64 1j4g h ILE 186 Cb 0.01 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1j4g h ILE 186 CO -0.02 0.33 -0.06 -1.28 -0.69 0.00 0.00 178.15 176.44 1j4g h SER 187 N 1.11 0.89 -0.46 1.72 0.87 -0.60 -0.89 113.55 116.19 1j4g h SER 187 Ca 0.25 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1j4g h SER 187 Cb 0.23 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1j4g h SER 187 CO -0.02 0.98 0.07 -0.07 -0.53 0.00 0.00 176.83 177.27 1j4g h LEU 188 N 0.83 0.74 -0.78 2.23 3.38 -0.84 -1.45 115.31 119.43 1j4g h LEU 188 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1j4g h LEU 188 Cb 0.57 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1j4g h LEU 188 CO 0.03 0.82 0.50 -0.33 0.09 0.00 0.00 178.44 179.55 1j4g h GLU 189 N 0.64 1.04 0.00 1.13 5.08 -1.19 -0.62 114.58 120.65 1j4g h GLU 189 Ca 0.14 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1j4g h GLU 189 Cb 0.39 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1j4g h GLU 189 CO 0.01 0.71 -0.50 -0.91 -1.00 0.00 0.00 179.01 177.31 1j4g h ASN 190 N 1.06 0.00 -0.02 1.42 2.35 -0.95 -3.28 115.58 116.16 1j4g h ASN 190 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1j4g h ASN 190 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1j4g h ASN 190 CO -0.06 0.50 -0.42 -1.20 -1.65 0.00 0.00 177.43 174.61 1j4g n SER 191 N -3.93 2.15 -0.15 5.81 7.64 -0.56 -4.58 113.62 120.00 1j4g n SER 191 Ca -0.01 -1.57 -0.04 0.00 1.01 0.00 0.00 58.87 58.26 1j4g n SER 191 Cb 0.52 0.42 0.03 0.00 -1.01 0.00 0.00 64.21 64.16 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 2.72 -0.29 -0.34 1.43 7.01 -1.19 0.15 115.95 125.44 1j4g h TRP 192 Ca 0.00 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1j4g h TRP 192 Cb 0.79 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 28.00 1j4g h TRP 192 CO 0.00 -0.22 0.07 1.03 -2.79 0.00 0.00 178.44 176.53 1j4g h SER 193 N -0.02 0.01 -0.36 2.65 0.87 -1.84 0.76 113.55 115.61 1j4g h SER 193 Ca 0.23 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1j4g h SER 193 Cb 0.36 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1j4g h SER 193 CO -0.50 0.04 0.04 0.00 -0.53 0.00 0.00 176.83 175.89 1j4g h ALA 194 N 1.26 0.48 -0.78 6.23 0.00 -1.68 -2.07 119.26 122.69 1j4g h ALA 194 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j4g h ALA 194 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j4g h ALA 194 CO -0.21 0.20 0.44 -0.07 0.00 0.00 0.00 179.25 179.61 1j4g h LEU 195 N 0.44 0.97 0.01 0.00 3.38 -0.39 0.12 115.31 119.84 1j4g h LEU 195 Ca 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1j4g h LEU 195 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1j4g h LEU 195 CO 0.01 0.78 -0.06 -1.28 0.09 0.00 0.00 178.44 177.98 1j4g h SER 196 N 1.08 -0.17 -0.45 -0.43 0.87 -0.71 0.12 113.55 113.86 1j4g h SER 196 Ca 0.28 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.91 1j4g h SER 196 Cb 0.02 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 1j4g h SER 196 CO -0.05 -0.09 0.19 0.50 -0.53 0.00 0.00 176.83 176.86 1j4g h LYS 197 N -0.11 0.38 -0.37 2.24 3.64 -1.01 -2.02 116.57 119.32 1j4g h LYS 197 Ca 0.02 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1j4g h LYS 197 Cb 0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1j4g h LYS 197 CO -0.06 0.25 -0.26 1.96 -2.27 0.00 0.00 179.45 179.07 1j4g h GLN 198 N 0.39 0.76 -0.47 1.90 1.08 -0.40 -1.38 115.11 116.98 1j4g h GLN 198 Ca 0.21 -0.32 -0.06 0.00 -1.45 0.00 0.00 58.65 57.02 1j4g h GLN 198 Cb 0.17 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1j4g h GLN 198 CO -0.18 0.94 0.03 0.82 -0.95 0.00 0.00 178.83 179.48 1j4g h ILE 199 N 0.65 1.23 -0.25 2.54 2.04 -0.78 0.16 117.51 123.11 1j4g h ILE 199 Ca 0.08 -0.93 -0.19 0.00 1.00 0.00 0.00 64.86 64.83 1j4g h ILE 199 Cb 0.78 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1j4g h ILE 199 CO 0.06 0.33 -0.59 1.56 0.00 0.00 0.00 178.15 179.52 1j4g h GLN 200 N 0.71 0.81 -0.44 2.37 4.20 -1.08 -2.75 115.11 118.93 1j4g h GLN 200 Ca 0.15 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1j4g h GLN 200 Cb 0.40 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1j4g h GLN 200 CO 0.01 1.16 0.22 0.82 -0.67 0.00 0.00 178.83 180.37 1j4g h ILE 201 N 0.61 1.18 -0.38 2.54 1.08 -0.98 -2.95 117.51 118.62 1j4g h ILE 201 Ca 0.00 -0.50 0.08 0.00 -0.39 0.00 0.00 64.86 64.05 1j4g h ILE 201 Cb 1.19 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1j4g h ILE 201 CO 0.13 0.20 0.26 0.00 -0.69 0.00 0.00 178.15 178.04 1j4g h ALA 202 N 1.06 2.14 0.00 1.87 0.00 -0.52 -2.06 119.26 121.75 1j4g h ALA 202 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j4g h ALA 202 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1j4g h ALA 202 CO -0.02 -0.22 0.00 0.66 0.00 0.00 0.00 179.25 179.67 1j4g h SER 203 N 0.17 0.00 0.00 0.00 4.64 -1.30 -0.36 113.55 116.70 1j4g h SER 203 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1j4g h SER 203 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1j4g h SER 203 CO -0.03 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.27 1j4g n THR 204 N -3.01 1.76 -2.51 2.95 -2.24 -0.80 -4.71 114.28 105.72 1j4g n THR 204 Ca -0.02 -2.10 -0.12 0.00 -2.27 0.00 0.00 64.05 59.54 1j4g n THR 204 Cb 0.15 -0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.32 2.97 -3.41 3.42 4.05 -0.46 -4.98 115.26 115.54 1j4g n ASN 205 Ca 0.14 -2.88 -0.25 0.00 0.45 0.00 0.00 54.58 52.05 1j4g n ASN 205 Cb 0.61 -0.44 0.01 0.00 1.23 0.00 0.00 39.78 41.19 1j4g n ASN 205 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1j4g n ASN 206 N -0.53 -4.56 0.00 1.20 5.15 -1.22 -0.97 115.26 114.34 1j4g n ASN 206 Ca 0.23 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1j4g n ASN 206 Cb 0.84 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.38 1j4g n ASN 206 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j4g n GLY 207 N -1.38 0.79 3.87 8.20 0.00 -0.27 -5.01 105.19 111.39 1j4g n GLY 207 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.16 3.71 0.52 1.61 -1.52 -0.14 -1.80 119.66 121.87 1j4g s GLN 208 Ca 0.00 0.11 -0.12 0.00 -1.95 0.00 0.00 55.36 53.40 1j4g s GLN 208 Cb 0.00 -3.05 -0.06 0.00 -0.22 0.00 0.00 33.01 29.68 1j4g s GLN 208 CO 0.00 0.61 0.92 -0.06 -0.25 0.00 0.00 175.29 176.50 1j4g s PHE 209 N -1.33 3.53 -0.13 0.91 0.40 -0.08 -3.78 117.98 117.51 1j4g s PHE 209 Ca 0.30 1.20 0.08 0.00 -0.60 0.00 0.00 56.93 57.91 1j4g s PHE 209 Cb -0.14 -2.61 -0.23 0.00 0.51 0.00 0.00 43.02 40.55 1j4g s PHE 209 CO 0.17 -0.39 0.34 0.39 0.70 0.00 0.00 175.22 176.42 1j4g n GLU 210 N -1.99 0.68 -3.92 0.44 -0.58 -1.26 -4.75 120.64 109.26 1j4g n GLU 210 Ca 0.04 0.20 -0.31 0.00 -0.42 0.00 0.00 57.16 56.68 1j4g n GLU 210 Cb 0.54 -1.68 -0.15 0.00 -0.57 0.00 0.00 31.44 29.58 1j4g n GLU 210 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1j4g s SER 211 N -6.25 4.38 0.56 1.62 0.01 -1.26 -5.12 113.70 107.64 1j4g s SER 211 Ca -0.14 -1.82 -0.20 0.00 1.31 0.00 0.00 55.95 55.10 1j4g s SER 211 Cb 0.07 -1.32 -0.07 0.00 0.21 0.00 0.00 66.02 64.92 1j4g s SER 211 CO 0.78 -0.36 0.90 -2.65 0.41 0.00 0.00 173.24 172.32 1j4g n PRO 212 N 4.51 0.94 -4.93 12.44 -0.02 -1.26 -4.96 135.00 141.71 1j4g n PRO 212 Ca -0.01 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 1j4g n PRO 212 Cb 0.42 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.50 2.77 -0.23 -1.45 1.01 -0.37 -4.93 120.40 115.69 1j4g s VAL 213 Ca 0.72 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1j4g s VAL 213 Cb -0.45 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1j4g s VAL 213 CO 0.50 0.55 0.25 -0.69 0.00 0.00 0.00 175.10 175.71 1j4g s VAL 214 N 0.11 5.29 0.33 2.92 1.01 -1.26 0.10 120.40 128.90 1j4g s VAL 214 Ca -0.08 0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.37 1j4g s VAL 214 Cb -0.15 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1j4g s VAL 214 CO 0.05 0.29 -0.11 -0.76 0.00 0.00 0.00 175.10 174.58 1j4g s LEU 215 N 1.28 2.68 -0.19 3.92 1.43 -0.04 -4.96 118.68 122.80 1j4g s LEU 215 Ca 0.12 -1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.02 1j4g s LEU 215 Cb -0.14 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1j4g s LEU 215 CO 0.06 -0.18 -0.05 -0.63 0.23 0.00 0.00 176.35 175.79 1j4g s ILE 216 N -2.64 3.46 0.79 -0.59 1.01 -1.26 -0.44 121.20 121.54 1j4g s ILE 216 Ca 0.32 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1j4g s ILE 216 Cb 0.01 -2.55 0.17 0.00 0.01 0.00 0.00 42.46 40.11 1j4g s ILE 216 CO 0.16 0.45 1.08 -0.46 0.00 0.00 0.00 174.94 176.17 1j4g n ASN 217 N 4.34 0.62 0.13 3.58 2.04 0.27 -3.94 115.26 122.29 1j4g n ASN 217 Ca -0.18 -1.72 0.09 0.00 -0.44 0.00 0.00 54.58 52.33 1j4g n ASN 217 Cb 0.51 -0.78 0.47 0.00 -2.53 0.00 0.00 39.78 37.46 1j4g n ASN 217 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1j4g n ALA 218 N -3.39 1.04 -0.27 -2.53 0.00 -1.26 -0.06 120.51 114.05 1j4g n ALA 218 Ca -0.18 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1j4g n ALA 218 Cb 0.54 -1.26 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1j4g n ALA 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j4g n GLN 219 N -2.11 2.68 -1.64 0.00 3.00 -1.26 -4.94 117.38 113.11 1j4g n GLN 219 Ca -0.01 -2.60 -0.12 0.00 -0.01 0.00 0.00 57.00 54.26 1j4g n GLN 219 Cb 0.03 -1.56 -0.03 0.00 0.00 0.00 0.00 30.24 28.67 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 1.63 -4.18 -4.78 1.08 3.02 0.92 -5.02 115.26 107.94 1j4g n ASN 220 Ca 0.24 0.19 -0.31 0.00 -0.03 0.00 0.00 54.58 54.66 1j4g n ASN 220 Cb 0.62 -2.94 -0.07 0.00 -0.61 0.00 0.00 39.78 36.78 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 -3.52 2.95 0.14 3.52 -0.21 -1.26 -4.83 119.66 116.45 1j4g s GLN 221 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 1j4g s GLN 221 Cb 0.00 -2.77 -0.07 0.00 1.00 0.00 0.00 33.01 31.17 1j4g s GLN 221 CO 0.00 0.59 1.07 0.50 -2.12 0.00 0.00 175.29 175.34 1j4g s ARG 222 N -2.16 4.60 0.00 2.91 3.52 -1.26 -0.57 118.95 125.99 1j4g s ARG 222 Ca 0.27 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 1j4g s ARG 222 Cb -0.12 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1j4g s ARG 222 CO 0.19 0.06 -0.01 0.14 -0.81 0.00 0.00 175.30 174.88 1j4g s VAL 223 N 0.03 0.08 -0.24 7.11 -7.23 0.41 -4.93 120.40 115.63 1j4g s VAL 223 Ca 0.50 -0.07 -0.13 0.00 -1.81 0.00 0.00 61.98 60.47 1j4g s VAL 223 Cb -0.28 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 1j4g s VAL 223 CO 0.33 0.00 0.28 -0.89 -0.31 0.00 0.00 175.10 174.51 1j4g s THR 224 N -0.07 5.27 -0.24 5.32 2.01 -1.26 -0.86 115.64 125.81 1j4g s THR 224 Ca -0.00 0.41 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 1j4g s THR 224 Cb -0.01 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1j4g s THR 224 CO -0.00 0.26 0.30 -0.63 -0.69 0.00 0.00 174.62 173.86 1j4g s ILE 225 N 1.48 5.26 0.00 1.82 1.09 0.28 -4.93 121.20 126.20 1j4g s ILE 225 Ca 0.12 0.46 0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1j4g s ILE 225 Cb -0.15 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 1j4g s ILE 225 CO 0.08 0.26 0.25 0.35 -0.10 0.00 0.00 174.94 175.78 1j4g n THR 226 N 4.55 0.00 -3.81 2.92 -2.24 -1.26 -1.24 114.28 113.20 1j4g n THR 226 Ca -0.11 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 1j4g n THR 226 Cb 0.51 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.22 -0.25 0.00 3.42 2.20 -1.26 -0.90 114.94 117.94 1j4g s ASN 227 Ca 0.00 -0.58 0.18 0.00 -0.94 0.00 0.00 52.86 51.52 1j4g s ASN 227 Cb 0.00 0.63 1.10 0.00 -2.00 0.00 0.00 41.25 40.99 1j4g s ASN 227 CO 0.00 -1.17 1.53 1.33 -2.94 0.00 0.00 177.10 175.85 1j4g n VAL 228 N -0.39 0.00 1.45 3.54 0.24 -0.75 -2.56 118.33 119.85 1j4g n VAL 228 Ca -0.07 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 1j4g n VAL 228 Cb 0.61 -0.58 0.49 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.92 1.49 -4.77 -1.34 8.00 -1.26 -4.24 116.55 113.51 1j4g n ASP 229 Ca 0.14 -1.44 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 1j4g n ASP 229 Cb 0.06 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.07 3.48 0.52 2.24 0.00 -1.06 -4.80 121.76 120.07 1j4g s ALA 230 Ca 0.36 1.20 0.27 0.00 0.00 0.00 0.00 51.96 53.79 1j4g s ALA 230 Cb 0.21 -3.45 1.39 0.00 0.00 0.00 0.00 23.12 21.26 1j4g s ALA 230 CO 0.36 -0.56 1.92 0.78 0.00 0.00 0.00 175.76 178.26 1j4g h GLY 231 N 3.47 0.14 1.81 0.00 0.00 -1.92 0.14 103.07 106.71 1j4g h GLY 231 Ca -0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1j4g h GLY 231 CO 0.66 0.00 0.00 -0.24 0.00 0.00 0.00 176.54 176.96 1j4g h VAL 232 N 0.07 1.11 0.00 4.60 3.04 -1.91 -0.14 116.25 123.02 1j4g h VAL 232 Ca 0.37 -0.43 -0.30 0.00 -1.01 0.00 0.00 66.70 65.33 1j4g h VAL 232 Cb 1.38 0.98 -0.05 0.00 -2.01 0.00 0.00 31.29 31.59 1j4g h VAL 232 CO -0.03 0.15 -1.96 1.33 -1.01 0.00 0.00 177.57 176.04 1j4g n VAL 233 N -4.39 1.43 0.08 1.51 0.24 0.38 -1.50 118.33 116.08 1j4g n VAL 233 Ca -0.00 -0.80 -0.08 0.00 -2.04 0.00 0.00 64.34 61.41 1j4g n VAL 233 Cb 0.17 -0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 31.71 1j4g n VAL 233 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1j4g h THR 234 N 0.00 1.64 -0.22 3.34 1.35 -1.20 -3.41 112.91 114.42 1j4g h THR 234 Ca -0.37 -3.18 -0.21 0.00 -0.55 0.00 0.00 66.41 62.10 1j4g h THR 234 Cb 2.03 2.77 -0.38 0.00 -1.73 0.00 0.00 68.15 70.84 1j4g h THR 234 CO 0.05 0.91 -1.04 -1.20 -0.25 0.00 0.00 175.52 174.00 1j4g n SER 235 N -3.45 1.16 0.05 5.36 7.64 -0.08 -4.99 113.62 119.32 1j4g n SER 235 Ca -0.02 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1j4g n SER 235 Cb 0.91 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.14 -0.56 -4.75 6.43 5.15 -1.21 -4.85 115.26 115.33 1j4g n ASN 236 Ca 0.05 0.17 -0.41 0.00 -0.60 0.00 0.00 54.58 53.79 1j4g n ASN 236 Cb 0.95 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.96 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 -2.73 2.16 -0.06 -1.44 0.13 -0.56 -0.57 119.36 116.29 1j4g n ILE 237 Ca 0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 1j4g n ILE 237 Cb 0.00 -1.83 0.00 0.00 -0.84 0.00 0.00 39.64 36.97 1j4g n ILE 237 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1j4g n ALA 238 N 0.27 1.83 -3.22 1.51 0.00 0.14 -4.82 120.51 116.21 1j4g n ALA 238 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1j4g n ALA 238 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.09 0.76 0.00 0.00 1.43 -1.24 -4.00 118.68 114.54 1j4g s LEU 239 Ca 0.00 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1j4g s LEU 239 Cb 0.00 1.17 0.00 0.00 0.03 0.00 0.00 46.19 47.39 1j4g s LEU 239 CO 0.00 -0.18 0.49 0.18 0.23 0.00 0.00 176.35 177.07