#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 6.73 -0.46 3.17 2.15 -1.26 -4.98 116.67 122.02 1j4g s ASP 1 Ca 0.00 0.72 -0.21 0.00 0.43 0.00 0.00 52.55 53.49 1j4g s ASP 1 Cb 0.00 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1j4g s ASP 1 CO 0.00 -1.12 0.66 -0.69 -0.17 0.00 0.00 175.17 173.85 1j4g s VAL 2 N 4.19 4.81 0.17 1.11 1.01 -1.26 -5.02 120.40 125.40 1j4g s VAL 2 Ca 0.48 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1j4g s VAL 2 Cb -0.09 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1j4g s VAL 2 CO 0.25 -0.69 0.02 -0.94 0.00 0.00 0.00 175.10 173.75 1j4g s SER 3 N 2.23 0.96 -0.06 3.32 1.04 -1.26 -1.03 113.70 118.90 1j4g s SER 3 Ca 0.21 -1.20 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1j4g s SER 3 Cb -0.15 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.18 1j4g s SER 3 CO 0.17 -0.63 0.13 0.12 0.98 0.00 0.00 173.24 174.01 1j4g s PHE 4 N -3.77 -0.13 -0.23 5.02 5.36 -0.17 -4.79 117.98 119.27 1j4g s PHE 4 Ca 0.25 0.44 -0.05 0.00 -0.96 0.00 0.00 56.93 56.61 1j4g s PHE 4 Cb 0.07 -0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.58 1j4g s PHE 4 CO 0.04 -0.17 -0.01 1.03 -1.46 0.00 0.00 175.22 174.64 1j4g s ARG 5 N 1.40 3.43 0.35 10.12 1.81 -1.26 -1.69 118.95 133.10 1j4g s ARG 5 Ca -0.06 -0.60 0.16 0.00 -1.72 0.00 0.00 55.73 53.50 1j4g s ARG 5 Cb -0.12 -3.09 0.62 0.00 -0.45 0.00 0.00 34.95 31.91 1j4g s ARG 5 CO -0.05 -0.20 1.72 -0.07 -0.68 0.00 0.00 175.30 176.02 1j4g h LEU 6 N 8.14 0.00 -8.67 2.53 3.38 -1.26 -3.29 115.31 116.14 1j4g h LEU 6 Ca -0.40 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.01 1j4g h LEU 6 Cb 1.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1j4g h LEU 6 CO 0.60 0.44 1.09 -0.55 0.09 0.00 0.00 178.44 180.10 1j4g s SER 7 N -6.61 6.21 0.00 -0.43 0.15 -1.26 -2.01 113.70 109.75 1j4g s SER 7 Ca -0.01 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1j4g s SER 7 Cb 0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1j4g s SER 7 CO 0.71 -1.60 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1j4g n GLY 8 N 5.19 0.72 3.76 9.45 0.00 -1.26 -5.07 105.19 117.97 1j4g n GLY 8 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 2.56 0.16 4.61 0.00 -0.85 -5.02 121.76 121.18 1j4g s ALA 9 Ca 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 1j4g s ALA 9 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1j4g s ALA 9 CO 0.00 -1.10 0.08 0.95 0.00 0.00 0.00 175.76 175.69 1j4g s THR 10 N -1.65 0.07 0.26 0.00 -4.23 -1.26 -4.99 115.64 103.84 1j4g s THR 10 Ca 0.76 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1j4g s THR 10 Cb -0.29 -2.22 0.23 0.00 1.34 0.00 0.00 72.50 71.56 1j4g s THR 10 CO 0.32 -0.29 1.78 0.28 -0.54 0.00 0.00 174.62 176.18 1j4g h SER 11 N 2.77 0.60 -0.63 3.99 0.02 -1.96 -1.81 113.55 116.54 1j4g h SER 11 Ca -0.35 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1j4g h SER 11 Cb 1.22 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1j4g h SER 11 CO 0.57 0.30 0.08 0.28 -1.14 0.00 0.00 176.83 176.91 1j4g h SER 12 N 0.71 1.02 0.38 3.07 0.02 -1.96 -1.34 113.55 115.45 1j4g h SER 12 Ca 0.44 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1j4g h SER 12 Cb 0.52 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1j4g h SER 12 CO -0.31 1.04 -0.41 0.77 -1.14 0.00 0.00 176.83 176.78 1j4g h SER 13 N 0.97 0.04 -0.32 3.07 4.64 -1.78 -0.99 113.55 119.17 1j4g h SER 13 Ca 0.19 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 1j4g h SER 13 Cb 0.47 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1j4g h SER 13 CO 0.02 0.44 -0.43 0.22 -0.87 0.00 0.00 176.83 176.21 1j4g h TYR 14 N 0.03 1.08 -0.65 4.77 3.20 -0.98 -2.17 116.97 122.26 1j4g h TYR 14 Ca -0.00 -0.34 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 1j4g h TYR 14 Cb 0.74 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1j4g h TYR 14 CO 0.00 1.16 0.31 0.78 -1.64 0.00 0.00 178.16 178.77 1j4g h GLY 15 N 0.78 0.98 1.05 1.82 0.00 -0.79 -1.07 103.07 105.86 1j4g h GLY 15 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1j4g h GLY 15 CO 0.10 0.45 -0.22 -2.08 0.00 0.00 0.00 176.54 174.79 1j4g h VAL 16 N 0.92 1.28 -0.50 4.60 2.07 -1.09 -0.89 116.25 122.63 1j4g h VAL 16 Ca 0.23 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1j4g h VAL 16 Cb 0.10 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1j4g h VAL 16 CO -0.03 0.46 0.32 0.15 0.02 0.00 0.00 177.57 178.49 1j4g h PHE 17 N 0.70 0.60 -0.39 1.57 3.57 -0.88 0.80 116.94 122.92 1j4g h PHE 17 Ca 0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 1j4g h PHE 17 Cb 0.79 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1j4g h PHE 17 CO 0.06 0.36 -0.33 0.82 -2.23 0.00 0.00 178.31 177.00 1j4g h ILE 18 N 0.64 1.28 -0.44 1.41 1.08 -1.12 0.29 117.51 120.65 1j4g h ILE 18 Ca 0.19 -1.49 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 1j4g h ILE 18 Cb -0.04 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1j4g h ILE 18 CO -0.06 0.50 0.24 -1.28 -0.69 0.00 0.00 178.15 176.85 1j4g h SER 19 N 0.73 0.55 -0.85 1.72 0.87 -0.81 -1.31 113.55 114.44 1j4g h SER 19 Ca 0.07 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1j4g h SER 19 Cb 0.89 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1j4g h SER 19 CO 0.08 0.48 0.43 0.78 -0.53 0.00 0.00 176.83 178.07 1j4g h ASN 20 N 0.57 1.10 -0.26 6.23 -0.26 -0.64 -1.61 115.58 120.70 1j4g h ASN 20 Ca 0.15 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1j4g h ASN 20 Cb 0.06 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 1j4g h ASN 20 CO -0.02 0.91 0.13 0.25 -1.06 0.00 0.00 177.43 177.63 1j4g h LEU 21 N 1.20 0.34 -0.82 1.61 5.85 -0.50 -2.26 115.31 120.73 1j4g h LEU 21 Ca 0.29 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1j4g h LEU 21 Cb 0.09 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1j4g h LEU 21 CO -0.04 0.36 0.52 0.03 -0.34 0.00 0.00 178.44 178.97 1j4g h ARG 22 N 0.29 1.00 0.00 1.25 3.08 -0.94 -1.90 114.38 117.16 1j4g h ARG 22 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j4g h ARG 22 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1j4g h ARG 22 CO -0.01 0.66 0.00 0.87 -1.07 0.00 0.00 179.97 180.42 1j4g h LYS 23 N 1.03 0.00 -0.00 0.04 1.57 -1.00 -2.02 116.57 116.19 1j4g h LYS 23 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1j4g h LYS 23 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1j4g h LYS 23 CO -0.11 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.74 1j4g n ALA 24 N -2.06 2.46 -2.64 3.86 0.00 -0.72 -4.77 120.51 116.64 1j4g n ALA 24 Ca -0.01 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 1j4g n ALA 24 Cb 0.17 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 1j4g n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j4g s LEU 25 N -2.84 4.10 0.62 0.00 1.43 -0.76 -4.98 118.68 116.25 1j4g s LEU 25 Ca 0.19 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.65 1j4g s LEU 25 Cb 0.19 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1j4g s LEU 25 CO 0.51 -0.19 1.25 -2.84 0.23 0.00 0.00 176.35 175.31 1j4g s PRO 26 N 1.84 2.74 -0.04 1.29 0.02 -1.26 -5.02 135.00 134.57 1j4g s PRO 26 Ca 0.21 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.23 1j4g s PRO 26 Cb -0.15 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1j4g s PRO 26 CO 0.09 -1.42 -0.20 -0.80 -0.33 0.00 0.00 177.00 174.34 1j4g s ASN 27 N -1.49 3.55 0.10 2.53 -0.87 -1.26 -3.87 114.94 113.63 1j4g s ASN 27 Ca 0.80 -0.34 -0.10 0.00 -1.57 0.00 0.00 52.86 51.65 1j4g s ASN 27 Cb -0.34 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.25 40.05 1j4g s ASN 27 CO 0.37 0.32 1.26 -0.08 -2.57 0.00 0.00 177.10 176.40 1j4g h GLU 28 N 5.52 0.64 0.00 -0.60 4.81 -1.15 -3.46 114.58 120.34 1j4g h GLU 28 Ca -0.43 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.17 1j4g h GLU 28 Cb 1.14 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1j4g h GLU 28 CO 0.49 1.24 0.00 2.89 -0.73 0.00 0.00 179.01 182.90 1j4g n ARG 29 N -3.85 0.00 -4.27 1.92 1.85 -1.25 -5.04 116.66 106.03 1j4g n ARG 29 Ca -0.09 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.56 1j4g n ARG 29 Cb 0.83 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 32.12 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 0.62 1.08 -0.06 2.89 1.02 -1.26 -0.84 119.74 123.19 1j4g s LYS 30 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1j4g s LYS 30 Cb 0.00 -1.11 0.02 0.00 -0.52 0.00 0.00 37.83 36.22 1j4g s LYS 30 CO 0.00 0.23 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.11 1j4g s LEU 31 N -2.30 1.14 -1.56 3.17 1.43 0.00 -4.79 118.68 115.77 1j4g s LEU 31 Ca 0.09 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1j4g s LEU 31 Cb -0.07 -0.52 0.09 0.00 0.03 0.00 0.00 46.19 45.72 1j4g s LEU 31 CO 0.04 -0.09 0.73 -1.22 0.23 0.00 0.00 176.35 176.04 1j4g n TYR 32 N 4.42 -1.87 -1.03 0.29 4.01 -1.26 -0.75 117.16 120.97 1j4g n TYR 32 Ca -0.19 0.81 -0.01 0.00 -0.16 0.00 0.00 57.90 58.36 1j4g n TYR 32 Cb 0.51 -3.51 -0.00 0.00 -0.31 0.00 0.00 39.34 36.02 1j4g n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1j4g n ASP 33 N -2.81 -4.49 -4.37 7.72 10.43 -1.26 -4.99 116.55 116.78 1j4g n ASP 33 Ca -0.06 0.03 -0.33 0.00 2.57 0.00 0.00 54.79 57.00 1j4g n ASP 33 Cb 0.56 -2.09 -0.14 0.00 1.84 0.00 0.00 41.12 41.29 1j4g n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1j4g s ILE 34 N -1.59 3.03 0.30 0.53 1.01 0.07 -5.08 121.20 119.46 1j4g s ILE 34 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1j4g s ILE 34 Cb 0.00 -2.27 -0.11 0.00 0.01 0.00 0.00 42.46 40.08 1j4g s ILE 34 CO 0.00 0.52 1.61 -2.65 0.00 0.00 0.00 174.94 174.42 1j4g n PRO 35 N 3.54 2.75 -3.64 2.79 -0.02 -1.26 -0.82 135.00 138.34 1j4g n PRO 35 Ca -0.18 0.98 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 1j4g n PRO 35 Cb 0.53 -2.77 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 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 -0.59 3.90 0.68 2.45 2.96 -0.02 -0.89 118.68 127.17 1j4g s LEU 36 Ca 0.63 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.25 1j4g s LEU 36 Cb -0.48 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.16 1j4g s LEU 36 CO 0.49 -0.07 1.14 -0.76 -1.32 0.00 0.00 176.35 175.83 1j4g s LEU 37 N 1.70 3.38 0.15 -0.68 1.43 -1.26 -0.73 118.68 122.67 1j4g s LEU 37 Ca 0.07 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 54.96 1j4g s LEU 37 Cb -0.16 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.41 1j4g s LEU 37 CO 0.08 -1.80 1.49 -0.13 0.23 0.00 0.00 176.35 176.23 1j4g s ARG 38 N -4.00 4.26 0.39 1.70 0.52 -1.25 -4.46 118.95 116.10 1j4g s ARG 38 Ca 0.69 2.24 0.20 0.00 -0.52 0.00 0.00 55.73 58.35 1j4g s ARG 38 Cb -0.23 -3.19 0.67 0.00 0.52 0.00 0.00 34.95 32.72 1j4g s ARG 38 CO 0.42 -0.54 1.72 0.66 0.02 0.00 0.00 175.30 177.58 1j4g h SER 39 N 6.78 0.00 -3.79 0.23 4.64 -1.92 -3.39 113.55 116.10 1j4g h SER 39 Ca -0.42 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.79 1j4g h SER 39 Cb 1.21 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.06 1j4g h SER 39 CO 0.89 0.33 -0.19 -0.44 -0.87 0.00 0.00 176.83 176.56 1j4g s SER 40 N -6.35 -0.50 0.01 4.97 0.01 -1.26 -5.00 113.70 105.58 1j4g s SER 40 Ca 0.01 0.94 -0.06 0.00 1.31 0.00 0.00 55.95 58.14 1j4g s SER 40 Cb 0.10 0.93 -0.00 0.00 0.21 0.00 0.00 66.02 67.26 1j4g s SER 40 CO 0.68 -0.17 0.11 -0.76 0.41 0.00 0.00 173.24 173.51 1j4g s LEU 41 N 0.44 1.66 0.43 2.44 1.43 -1.26 -5.12 118.68 118.70 1j4g s LEU 41 Ca -0.02 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.59 1j4g s LEU 41 Cb -0.04 0.59 -0.08 0.00 0.03 0.00 0.00 46.19 46.69 1j4g s LEU 41 CO -0.02 -0.37 1.08 -2.16 0.23 0.00 0.00 176.35 175.12 1j4g s PRO 42 N -1.45 3.98 0.34 1.29 0.04 -1.26 -4.76 135.00 133.17 1j4g s PRO 42 Ca -0.15 1.57 0.13 0.00 0.04 0.00 0.00 61.00 62.60 1j4g s PRO 42 Cb -0.08 -2.43 1.07 0.00 0.04 0.00 0.00 34.50 33.11 1j4g s PRO 42 CO 0.01 -0.32 1.61 0.78 0.04 0.00 0.00 177.00 179.12 1j4g h GLY 43 N 2.21 1.90 2.00 0.56 0.00 -1.98 0.76 103.07 108.51 1j4g h GLY 43 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1j4g h GLY 43 CO 0.61 -0.60 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1j4g n SER 44 N -5.23 0.63 -0.06 0.19 3.41 -1.26 -2.35 113.62 108.95 1j4g n SER 44 Ca 0.31 0.72 0.01 0.00 -0.26 0.00 0.00 58.87 59.64 1j4g n SER 44 Cb 1.01 -0.83 0.01 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.26 -0.22 0.14 4.33 1.13 0.22 -4.78 117.38 115.93 1j4g n GLN 45 Ca 0.00 -0.55 0.12 0.00 -1.94 0.00 0.00 57.00 54.64 1j4g n GLN 45 Cb 0.14 -0.99 0.15 0.00 0.11 0.00 0.00 30.24 29.64 1j4g n GLN 45 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1j4g h ARG 46 N 0.28 0.00 -6.67 -1.09 2.43 -1.06 -3.47 114.38 104.79 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 0.06 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.34 1j4g h ARG 46 CO 0.00 0.00 -0.87 0.71 -1.51 0.00 0.00 179.97 178.30 1j4g s TYR 47 N -3.24 2.36 0.14 2.20 2.02 -1.26 -0.90 117.35 118.66 1j4g s TYR 47 Ca 0.05 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1j4g s TYR 47 Cb 0.09 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1j4g s TYR 47 CO 0.71 0.09 -0.18 0.00 -1.57 0.00 0.00 175.55 174.60 1j4g s ALA 48 N -0.76 1.81 0.12 3.71 0.00 -0.62 -4.95 121.76 121.07 1j4g s ALA 48 Ca 0.11 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.79 1j4g s ALA 48 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1j4g s ALA 48 CO 0.01 0.23 -0.16 -0.51 0.00 0.00 0.00 175.76 175.33 1j4g s LEU 49 N -2.40 2.77 0.03 0.00 2.01 -1.26 -0.35 118.68 119.49 1j4g s LEU 49 Ca 0.11 -0.54 0.01 0.00 0.01 0.00 0.00 54.13 53.72 1j4g s LEU 49 Cb -0.07 -1.59 -0.02 0.00 0.01 0.00 0.00 46.19 44.52 1j4g s LEU 49 CO 0.05 0.17 -0.05 0.27 1.01 0.00 0.00 176.35 177.80 1j4g s ILE 50 N -1.23 0.32 -0.05 -0.59 -4.36 -0.67 -4.56 121.20 110.07 1j4g s ILE 50 Ca 0.19 -0.93 0.06 0.00 -0.26 0.00 0.00 60.65 59.70 1j4g s ILE 50 Cb -0.10 -0.42 -0.01 0.00 1.25 0.00 0.00 42.46 43.18 1j4g s ILE 50 CO 0.11 -0.40 -0.22 -1.00 0.24 0.00 0.00 174.94 173.67 1j4g s HIS 51 N -1.32 2.12 -0.06 1.37 3.76 -0.20 -0.08 115.29 120.89 1j4g s HIS 51 Ca -0.12 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 1j4g s HIS 51 Cb -0.09 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.21 1j4g s HIS 51 CO -0.00 -0.17 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.06 1j4g s LEU 52 N -0.14 1.78 -0.14 0.89 1.02 0.02 -1.00 118.68 121.12 1j4g s LEU 52 Ca -0.02 -0.32 0.01 0.00 0.02 0.00 0.00 54.13 53.82 1j4g s LEU 52 Cb -0.12 -0.89 -0.00 0.00 0.02 0.00 0.00 46.19 45.20 1j4g s LEU 52 CO 0.03 0.09 -0.18 -0.89 0.02 0.00 0.00 176.35 175.41 1j4g s THR 53 N 0.38 2.48 0.73 5.49 2.01 -0.68 -0.27 115.64 125.78 1j4g s THR 53 Ca -0.10 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 60.93 1j4g s THR 53 Cb -0.14 -2.02 0.17 0.00 0.01 0.00 0.00 72.50 70.52 1j4g s THR 53 CO 0.03 0.53 0.96 -0.46 -0.69 0.00 0.00 174.62 175.00 1j4g n ASN 54 N 3.88 -0.08 0.16 3.53 0.23 -0.47 -0.92 115.26 121.59 1j4g n ASN 54 Ca -0.19 -1.32 0.07 0.00 -0.53 0.00 0.00 54.58 52.61 1j4g n ASN 54 Cb 0.52 -0.75 0.57 0.00 -2.08 0.00 0.00 39.78 38.04 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 -1.64 0.18 -0.25 -2.53 0.05 -1.87 -2.32 116.97 108.59 1j4g h TYR 55 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1j4g h TYR 55 Cb 0.87 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1j4g h TYR 55 CO 0.00 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.22 1j4g n ALA 56 N -2.52 3.02 -3.05 3.88 0.00 -1.26 -4.74 120.51 115.83 1j4g n ALA 56 Ca -0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 1j4g n ALA 56 Cb 0.10 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 0.29 -6.11 -4.69 0.00 4.64 -0.87 -5.01 116.55 104.80 1j4g n ASP 57 Ca 0.12 -0.30 -0.35 0.00 -1.38 0.00 0.00 54.79 52.87 1j4g n ASP 57 Cb 0.61 -4.91 -0.09 0.00 -1.04 0.00 0.00 41.12 35.69 1j4g n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1j4g s GLU 58 N -5.73 3.80 -0.06 -0.67 2.02 -1.26 -4.90 118.70 111.89 1j4g s GLU 58 Ca 0.32 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.05 1j4g s GLU 58 Cb -0.14 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1j4g s GLU 58 CO 0.40 0.41 -0.18 0.99 0.02 0.00 0.00 175.26 176.90 1j4g s THR 59 N -0.01 2.67 -0.00 3.63 2.01 -1.26 -1.36 115.64 121.31 1j4g s THR 59 Ca 0.07 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.29 1j4g s THR 59 Cb -0.12 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1j4g s THR 59 CO 0.01 0.57 -0.23 0.27 -0.69 0.00 0.00 174.62 174.55 1j4g s ILE 60 N -0.37 2.34 -0.13 1.82 -4.36 0.63 -4.45 121.20 116.69 1j4g s ILE 60 Ca 0.03 -1.12 -0.06 0.00 -0.26 0.00 0.00 60.65 59.24 1j4g s ILE 60 Cb -0.12 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 1j4g s ILE 60 CO 0.02 0.50 0.09 -0.44 0.24 0.00 0.00 174.94 175.35 1j4g s SER 61 N -0.89 5.94 -0.09 4.36 0.01 -0.17 -0.80 113.70 122.06 1j4g s SER 61 Ca 0.11 0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.72 1j4g s SER 61 Cb -0.10 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 1j4g s SER 61 CO 0.01 0.35 -0.22 -0.69 0.41 0.00 0.00 173.24 173.09 1j4g s VAL 62 N -0.68 2.25 -0.18 3.43 1.01 0.89 -0.39 120.40 126.73 1j4g s VAL 62 Ca 0.12 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1j4g s VAL 62 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1j4g s VAL 62 CO 0.02 0.56 0.37 0.00 0.00 0.00 0.00 175.10 176.05 1j4g s ALA 63 N 0.16 3.56 -0.05 5.51 0.00 -0.40 -1.67 121.76 128.87 1j4g s ALA 63 Ca -0.12 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1j4g s ALA 63 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1j4g s ALA 63 CO 0.07 -0.14 -0.23 0.42 0.00 0.00 0.00 175.76 175.87 1j4g s ILE 64 N 0.97 2.26 -0.42 0.00 1.01 0.53 -0.75 121.20 124.80 1j4g s ILE 64 Ca 0.19 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 1j4g s ILE 64 Cb -0.14 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1j4g s ILE 64 CO 0.07 0.57 0.93 -0.62 0.00 0.00 0.00 174.94 175.89 1j4g s ASP 65 N -0.37 6.58 0.13 3.58 -1.08 0.10 -1.59 116.67 124.03 1j4g s ASP 65 Ca 0.03 0.34 0.16 0.00 -0.52 0.00 0.00 52.55 52.57 1j4g s ASP 65 Cb -0.12 -2.46 0.73 0.00 -1.46 0.00 0.00 42.92 39.61 1j4g s ASP 65 CO 0.02 -0.96 1.51 1.33 0.52 0.00 0.00 175.17 177.59 1j4g n VAL 66 N 6.21 1.09 0.20 1.11 0.24 -0.08 -0.75 118.33 126.35 1j4g n VAL 66 Ca 0.07 0.34 0.07 0.00 -2.04 0.00 0.00 64.34 62.78 1j4g n VAL 66 Cb 0.48 -1.23 0.34 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.70 0.00 3.34 1.35 -1.77 -3.39 112.91 113.14 1j4g h THR 67 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1j4g h THR 67 Cb 0.22 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1j4g h THR 67 CO 0.00 0.31 -0.05 -0.46 -0.25 0.00 0.00 175.52 175.07 1j4g n ASN 68 N -3.41 0.00 -0.13 5.36 0.23 -1.06 -4.63 115.26 111.63 1j4g n ASN 68 Ca 0.00 -1.09 -0.02 0.00 -0.53 0.00 0.00 54.58 52.95 1j4g n ASN 68 Cb 0.50 -0.02 -0.01 0.00 -2.08 0.00 0.00 39.78 38.18 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 -2.23 3.53 0.31 0.07 -4.97 118.33 115.04 1j4g n VAL 69 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1j4g n VAL 69 Cb 0.52 -0.91 -0.02 0.00 -0.91 0.00 0.00 33.84 32.52 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 -1.32 3.06 0.02 3.52 1.51 -1.22 -4.60 117.35 118.32 1j4g s TYR 70 Ca 0.00 1.52 -0.27 0.00 -1.01 0.00 0.00 57.07 57.31 1j4g s TYR 70 Cb 0.00 -3.48 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 1j4g s TYR 70 CO 0.00 -1.48 0.86 0.42 -1.11 0.00 0.00 175.55 174.24 1j4g s ILE 71 N -1.32 4.79 -0.21 2.71 -1.09 -1.26 -0.72 121.20 124.10 1j4g s ILE 71 Ca 0.55 1.82 0.16 0.00 -2.23 0.00 0.00 60.65 60.94 1j4g s ILE 71 Cb -0.34 -4.21 -0.24 0.00 -1.58 0.00 0.00 42.46 36.10 1j4g s ILE 71 CO 0.43 0.27 0.03 0.23 -1.23 0.00 0.00 174.94 174.67 1j4g n MET 72 N 3.33 0.68 -3.30 2.79 2.81 0.07 -4.86 117.12 118.65 1j4g n MET 72 Ca 0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1j4g n MET 72 Cb 0.50 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 1.82 -1.62 3.32 3.03 0.00 -1.24 -1.01 105.19 109.48 1j4g n GLY 73 Ca -0.35 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.07 0.84 -0.03 1.61 1.13 0.29 -1.28 117.35 117.84 1j4g s TYR 74 Ca 0.00 -1.13 0.03 0.00 -1.41 0.00 0.00 57.07 54.57 1j4g s TYR 74 Cb 0.00 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.56 1j4g s TYR 74 CO 0.00 -0.73 -0.12 0.50 -2.51 0.00 0.00 175.55 172.69 1j4g s ARG 75 N -4.09 1.17 -0.17 -3.49 3.52 0.47 -0.79 118.95 115.57 1j4g s ARG 75 Ca 0.31 -0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.49 1j4g s ARG 75 Cb 0.05 -1.08 0.04 0.00 -1.56 0.00 0.00 34.95 32.40 1j4g s ARG 75 CO 0.09 0.18 -0.04 0.00 -0.81 0.00 0.00 175.30 174.73 1j4g s ALA 76 N 0.03 1.40 0.00 6.12 0.00 -0.79 -1.00 121.76 127.52 1j4g s ALA 76 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1j4g s ALA 76 Cb -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1j4g s ALA 76 CO 0.01 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1j4g n GLY 77 N 4.90 4.16 1.71 0.00 0.00 -1.26 -2.14 105.19 112.56 1j4g n GLY 77 Ca -0.11 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1j4g n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4g n ASP 78 N 7.95 5.10 -4.21 1.61 10.43 -1.26 -4.93 116.55 131.24 1j4g n ASP 78 Ca 0.00 -2.59 -0.28 0.00 2.57 0.00 0.00 54.79 54.49 1j4g n ASP 78 Cb 0.00 -0.62 -0.16 0.00 1.84 0.00 0.00 41.12 42.18 1j4g n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1j4g s THR 79 N -2.12 1.69 0.14 -3.53 2.01 -0.91 -1.18 115.64 111.74 1j4g s THR 79 Ca 0.53 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1j4g s THR 79 Cb 0.36 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1j4g s THR 79 CO 0.23 0.48 0.15 -0.94 -0.69 0.00 0.00 174.62 173.84 1j4g s SER 80 N -0.27 5.66 -0.07 3.53 1.04 -0.45 -1.89 113.70 121.25 1j4g s SER 80 Ca 0.02 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 1j4g s SER 80 Cb -0.10 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.52 1j4g s SER 80 CO 0.01 0.09 0.05 -0.31 0.98 0.00 0.00 173.24 174.06 1j4g s TYR 81 N -1.67 0.23 0.15 5.02 1.51 0.03 -0.39 117.35 122.23 1j4g s TYR 81 Ca 0.31 0.07 0.11 0.00 -1.01 0.00 0.00 57.07 56.54 1j4g s TYR 81 Cb -0.11 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1j4g s TYR 81 CO 0.24 -0.27 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.11 1j4g s PHE 82 N 2.12 2.35 0.56 2.71 0.40 -0.76 -0.55 117.98 124.80 1j4g s PHE 82 Ca 0.04 -0.35 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 1j4g s PHE 82 Cb -0.13 -1.23 -0.05 0.00 0.51 0.00 0.00 43.02 42.12 1j4g s PHE 82 CO -0.04 0.40 1.14 -0.06 0.70 0.00 0.00 175.22 177.35 1j4g s PHE 83 N -1.27 2.63 -1.34 0.36 0.08 -0.18 -0.51 117.98 117.74 1j4g s PHE 83 Ca 0.17 1.54 -0.16 0.00 0.12 0.00 0.00 56.93 58.60 1j4g s PHE 83 Cb -0.09 -3.31 0.07 0.00 -0.57 0.00 0.00 43.02 39.12 1j4g s PHE 83 CO 0.08 -1.67 1.87 -1.71 -0.10 0.00 0.00 175.22 173.69 1j4g n ASN 84 N -1.42 4.65 -3.57 1.36 4.05 -0.19 -4.48 115.26 115.66 1j4g n ASN 84 Ca 0.12 -2.90 -0.14 0.00 0.45 0.00 0.00 54.58 52.11 1j4g n ASN 84 Cb 0.51 -1.71 -0.05 0.00 1.23 0.00 0.00 39.78 39.76 1j4g n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1j4g s GLU 85 N 3.70 1.04 0.19 1.20 -1.05 -1.26 -4.00 118.70 118.52 1j4g s GLU 85 Ca 0.51 -0.25 -0.14 0.00 -0.15 0.00 0.00 54.97 54.94 1j4g s GLU 85 Cb 0.07 0.47 0.19 0.00 -0.44 0.00 0.00 34.13 34.42 1j4g s GLU 85 CO 0.02 -0.38 1.68 0.00 0.95 0.00 0.00 175.26 177.53 1j4g h ALA 86 N 2.76 0.45 -0.66 -0.84 0.00 -2.00 -2.13 119.26 116.84 1j4g h ALA 86 Ca -0.31 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j4g h ALA 86 Cb 1.22 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1j4g h ALA 86 CO 0.41 -0.40 0.43 0.66 0.00 0.00 0.00 179.25 180.36 1j4g h SER 87 N 0.09 0.77 -0.03 0.00 4.64 -1.97 -2.46 113.55 114.59 1j4g h SER 87 Ca 0.25 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.41 1j4g h SER 87 Cb 0.39 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1j4g h SER 87 CO -0.44 0.56 -0.42 0.00 -0.87 0.00 0.00 176.83 175.67 1j4g h ALA 88 N 1.58 0.84 -0.79 5.18 0.00 -1.68 -1.10 119.26 123.28 1j4g h ALA 88 Ca 0.24 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1j4g h ALA 88 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1j4g h ALA 88 CO -0.05 0.65 0.33 1.15 0.00 0.00 0.00 179.25 181.33 1j4g h THR 89 N 0.46 1.26 -0.49 0.00 2.02 -0.96 -1.60 112.91 113.59 1j4g h THR 89 Ca 0.04 -0.79 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1j4g h THR 89 Cb 0.92 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1j4g h THR 89 CO 0.08 0.33 -0.03 -0.33 0.37 0.00 0.00 175.52 175.94 1j4g h GLU 90 N 1.14 0.89 -0.92 6.66 4.39 -1.26 -2.95 114.58 122.53 1j4g h GLU 90 Ca 0.27 -0.30 0.10 0.00 0.34 0.00 0.00 59.36 59.77 1j4g h GLU 90 Cb 0.19 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.69 1j4g h GLU 90 CO -0.02 0.94 0.56 0.00 -1.16 0.00 0.00 179.01 179.32 1j4g h ALA 91 N 0.92 1.35 0.00 3.43 0.00 -0.59 0.34 119.26 124.70 1j4g h ALA 91 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j4g h ALA 91 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1j4g h ALA 91 CO 0.03 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1j4g h ALA 92 N 1.49 1.00 0.00 0.00 0.00 -1.13 0.12 119.26 120.74 1j4g h ALA 92 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1j4g h ALA 92 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1j4g h ALA 92 CO -0.25 0.00 -0.34 0.87 0.00 0.00 0.00 179.25 179.53 1j4g h LYS 93 N 0.00 0.00 0.00 0.00 1.57 -0.95 -3.38 116.57 113.81 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1j4g h LYS 93 CO 0.00 0.00 -0.81 0.66 -0.57 0.00 0.00 179.45 178.73 1j4g n TYR 94 N -2.24 0.00 -4.21 -1.35 4.02 0.29 -4.96 117.16 108.71 1j4g n TYR 94 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.79 1j4g n TYR 94 Cb 0.44 -0.05 -0.11 0.00 -0.02 0.00 0.00 39.34 39.61 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 -1.90 1.05 -1.13 -0.72 -7.23 -0.51 -4.79 120.40 105.17 1j4g s VAL 95 Ca -0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1j4g s VAL 95 Cb 0.02 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1j4g s VAL 95 CO 0.12 -0.62 0.00 0.49 -0.31 0.00 0.00 175.10 174.78 1j4g n PHE 96 N 0.27 -1.15 0.30 2.82 3.72 -1.26 -4.61 117.46 117.55 1j4g n PHE 96 Ca -0.14 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.45 1j4g n PHE 96 Cb 0.59 -2.69 1.01 0.00 -0.94 0.00 0.00 39.48 37.45 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 -0.65 -1.08 1.57 -1.87 -2.05 116.57 112.49 1j4g h LYS 97 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1j4g h LYS 97 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1j4g h LYS 97 CO 0.35 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.83 1j4g n ASP 98 N -3.46 4.46 -4.76 0.86 5.75 -1.26 -4.96 116.55 113.18 1j4g n ASP 98 Ca -0.02 -2.40 -0.41 0.00 -0.01 0.00 0.00 54.79 51.95 1j4g n ASP 98 Cb 0.15 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1j4g n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j4g s ALA 99 N -1.80 3.65 0.29 2.12 0.00 -0.77 -4.90 121.76 120.35 1j4g s ALA 99 Ca 0.48 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.96 1j4g s ALA 99 Cb 0.31 -3.59 0.45 0.00 0.00 0.00 0.00 23.12 20.29 1j4g s ALA 99 CO 0.24 -0.88 1.71 0.52 0.00 0.00 0.00 175.76 177.34 1j4g h MET 100 N 4.38 0.31 -5.29 0.00 2.86 -1.57 -3.44 114.93 112.18 1j4g h MET 100 Ca -0.48 -0.13 -0.40 0.00 -2.06 0.00 0.00 59.70 56.63 1j4g h MET 100 Cb 1.22 -0.01 -0.20 0.00 0.06 0.00 0.00 31.60 32.67 1j4g h MET 100 CO 0.74 0.63 -0.77 1.03 1.06 0.00 0.00 176.91 179.61 1j4g s ARG 101 N -4.26 0.85 -0.01 1.72 0.52 -0.33 -5.03 118.95 112.41 1j4g s ARG 101 Ca -0.05 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1j4g s ARG 101 Cb 0.13 -0.79 -0.00 0.00 0.52 0.00 0.00 34.95 34.82 1j4g s ARG 101 CO 0.78 0.16 -0.05 0.15 0.02 0.00 0.00 175.30 176.36 1j4g s LYS 102 N -2.06 0.46 0.01 3.54 1.02 -1.26 -1.34 119.74 120.12 1j4g s LYS 102 Ca 0.01 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1j4g s LYS 102 Cb -0.08 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 1j4g s LYS 102 CO 0.02 0.09 -0.08 0.54 -0.92 0.00 0.00 175.35 175.00 1j4g s VAL 103 N 0.01 0.61 -0.39 3.17 0.11 0.48 -4.92 120.40 119.46 1j4g s VAL 103 Ca 0.00 -0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 58.32 1j4g s VAL 103 Cb -0.04 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1j4g s VAL 103 CO -0.00 -0.02 0.26 -0.89 -3.33 0.00 0.00 175.10 171.12 1j4g s THR 104 N -0.59 5.02 0.52 5.04 2.01 -1.26 -1.83 115.64 124.55 1j4g s THR 104 Ca -0.01 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1j4g s THR 104 Cb -0.05 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 1j4g s THR 104 CO 0.00 -0.26 0.96 0.18 -0.69 0.00 0.00 174.62 174.80 1j4g n LEU 105 N 5.10 3.02 0.00 4.42 4.77 0.33 -4.84 117.00 129.80 1j4g n LEU 105 Ca -0.11 0.90 0.02 0.00 -0.03 0.00 0.00 56.01 56.78 1j4g n LEU 105 Cb 0.47 -1.36 0.08 0.00 -2.33 0.00 0.00 43.42 40.28 1j4g n LEU 105 CO 0.39 -1.76 0.49 -0.81 -1.33 0.00 0.00 177.39 174.37 1j4g n PRO 106 N -0.42 0.03 -4.14 3.23 -0.04 -1.26 -3.65 135.00 128.76 1j4g n PRO 106 Ca 0.11 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1j4g n PRO 106 Cb 0.44 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1j4g n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j4g s TYR 107 N -2.71 0.93 0.78 0.54 -0.85 -1.26 -4.93 117.35 109.85 1j4g s TYR 107 Ca 0.03 -1.18 -0.09 0.00 -0.52 0.00 0.00 57.07 55.31 1j4g s TYR 107 Cb 0.02 -0.32 0.11 0.00 0.38 0.00 0.00 41.96 42.15 1j4g s TYR 107 CO 0.05 -0.78 1.11 -1.54 -1.52 0.00 0.00 175.55 172.88 1j4g s SER 108 N -3.13 4.28 -0.03 -0.18 1.04 -1.26 -1.02 113.70 113.41 1j4g s SER 108 Ca 0.34 0.31 0.03 0.00 0.48 0.00 0.00 55.95 57.11 1j4g s SER 108 Cb 0.04 -0.75 0.14 0.00 0.10 0.00 0.00 66.02 65.55 1j4g s SER 108 CO 0.12 -1.96 0.84 0.61 0.98 0.00 0.00 173.24 173.83 1j4g n GLY 109 N -3.16 1.09 3.81 7.32 0.00 -1.26 -4.49 105.19 108.50 1j4g n GLY 109 Ca 0.11 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.41 7.08 0.38 1.61 3.84 -1.26 -4.93 114.94 121.25 1j4g s ASN 110 Ca 0.09 1.47 0.07 0.00 0.21 0.00 0.00 52.86 54.71 1j4g s ASN 110 Cb 0.06 -2.44 0.80 0.00 -0.55 0.00 0.00 41.25 39.13 1j4g s ASN 110 CO 0.04 0.00 1.97 1.88 -2.79 0.00 0.00 177.10 178.20 1j4g h TYR 111 N 3.31 0.68 -0.57 0.43 0.05 -1.98 -0.42 116.97 118.48 1j4g h TYR 111 Ca -0.48 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.33 1j4g h TYR 111 Cb 1.19 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.68 1j4g h TYR 111 CO 0.63 0.36 0.37 0.93 -1.05 0.00 0.00 178.16 179.41 1j4g h GLU 112 N 0.68 0.74 -0.18 4.88 4.39 -1.97 0.21 114.58 123.33 1j4g h GLU 112 Ca 0.29 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.77 1j4g h GLU 112 Cb 0.29 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1j4g h GLU 112 CO -0.09 0.49 -0.61 0.00 -1.16 0.00 0.00 179.01 177.63 1j4g h ARG 113 N 0.76 0.72 -0.52 2.33 2.47 -1.65 -2.71 114.38 115.79 1j4g h ARG 113 Ca 0.21 -0.54 -0.12 0.00 -1.26 0.00 0.00 59.98 58.26 1j4g h ARG 113 Cb -0.08 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 1j4g h ARG 113 CO -0.05 1.16 -0.16 -0.07 0.56 0.00 0.00 179.97 181.41 1j4g h LEU 114 N 0.43 1.03 -0.67 3.04 3.38 -0.96 -0.53 115.31 121.04 1j4g h LEU 114 Ca -0.03 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1j4g h LEU 114 Cb 1.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1j4g h LEU 114 CO 0.13 1.17 0.14 1.56 0.09 0.00 0.00 178.44 181.53 1j4g h GLN 115 N 0.89 1.08 -0.35 1.13 4.20 -0.62 0.13 115.11 121.57 1j4g h GLN 115 Ca 0.13 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1j4g h GLN 115 Cb 0.74 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1j4g h GLN 115 CO 0.06 0.97 0.05 1.15 -0.67 0.00 0.00 178.83 180.39 1j4g h THR 116 N 1.00 1.24 -0.70 -0.54 2.02 -1.36 0.93 112.91 115.50 1j4g h THR 116 Ca 0.21 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1j4g h THR 116 Cb 0.39 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1j4g h THR 116 CO 0.01 0.29 0.21 0.00 0.37 0.00 0.00 175.52 176.40 1j4g h ALA 117 N 0.89 1.06 0.00 6.16 0.00 -0.76 -2.80 119.26 123.82 1j4g h ALA 117 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j4g h ALA 117 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j4g h ALA 117 CO 0.01 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1j4g h ALA 118 N 1.19 1.00 -0.23 0.00 0.00 -0.52 -3.48 119.26 117.23 1j4g h ALA 118 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1j4g h ALA 118 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1j4g h ALA 118 CO -0.01 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.56 1j4g n GLY 119 N 1.03 0.75 3.24 0.00 0.00 0.30 -4.91 105.19 105.60 1j4g n GLY 119 Ca 0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.12 0.80 0.14 1.61 1.02 -1.07 -5.05 119.74 115.07 1j4g s LYS 120 Ca 0.00 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.49 1j4g s LYS 120 Cb 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1j4g s LYS 120 CO 0.00 -0.25 0.15 0.96 -0.92 0.00 0.00 175.35 175.29 1j4g s ILE 121 N -2.61 4.67 0.31 2.17 -4.36 -1.26 -4.45 121.20 115.66 1j4g s ILE 121 Ca -0.05 -0.93 0.07 0.00 -0.26 0.00 0.00 60.65 59.48 1j4g s ILE 121 Cb -0.01 -3.35 0.31 0.00 1.25 0.00 0.00 42.46 40.66 1j4g s ILE 121 CO -0.04 -0.05 1.68 0.03 0.24 0.00 0.00 174.94 176.80 1j4g h ARG 122 N 2.57 0.33 -1.29 0.37 3.08 -1.95 -0.15 114.38 117.34 1j4g h ARG 122 Ca -0.47 -0.02 0.37 0.00 0.07 0.00 0.00 59.98 59.93 1j4g h ARG 122 Cb 1.19 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 1j4g h ARG 122 CO 0.65 0.22 0.92 0.93 -1.07 0.00 0.00 179.97 181.62 1j4g h GLU 123 N 0.34 0.02 -0.39 0.04 3.07 -1.95 -0.77 114.58 114.94 1j4g h GLU 123 Ca 0.61 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.38 1j4g h GLU 123 Cb 1.25 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 1j4g h GLU 123 CO -0.58 0.01 0.04 0.09 -1.40 0.00 0.00 179.01 177.18 1j4g n ASN 124 N -4.18 3.83 -4.04 1.42 3.02 -0.07 -4.38 115.26 110.85 1j4g n ASN 124 Ca 0.28 -3.23 -0.32 0.00 -0.03 0.00 0.00 54.58 51.28 1j4g n ASN 124 Cb 1.33 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 39.74 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 -2.96 2.01 0.36 2.41 1.01 -0.30 -4.96 121.20 118.78 1j4g s ILE 125 Ca 0.46 -1.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.35 1j4g s ILE 125 Cb 0.38 -2.14 -0.12 0.00 0.01 0.00 0.00 42.46 40.59 1j4g s ILE 125 CO 0.08 -0.01 1.15 -2.65 0.00 0.00 0.00 174.94 173.51 1j4g n PRO 126 N 4.50 1.72 -4.68 2.79 -0.02 -1.26 -4.48 135.00 133.57 1j4g n PRO 126 Ca -0.14 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 1j4g n PRO 126 Cb 0.43 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 1j4g n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1j4g n LEU 127 N 0.74 0.00 0.00 2.45 4.77 0.08 -4.86 117.00 120.17 1j4g n LEU 127 Ca 0.07 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 1j4g n LEU 127 Cb 0.36 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1j4g n LEU 127 CO 0.60 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1j4g n GLY 128 N -1.11 2.72 0.32 -0.72 0.00 -1.26 -1.36 105.19 103.78 1j4g n GLY 128 Ca -0.19 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.69 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 0.96 -1.40 0.99 3.38 -0.95 -1.66 115.31 116.62 1j4g h LEU 129 Ca 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1j4g h LEU 129 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1j4g h LEU 129 CO 0.00 0.90 -0.24 -0.65 0.09 0.00 0.00 178.44 178.54 1j4g h PRO 130 N 0.98 0.09 -0.31 1.13 0.11 -1.77 -1.38 132.00 130.86 1j4g h PRO 130 Ca 0.22 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.14 1j4g h PRO 130 Cb 0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1j4g h PRO 130 CO -0.01 0.33 -0.43 0.00 -0.21 0.00 0.00 178.00 177.69 1j4g h ALA 131 N 1.68 0.66 -0.37 -0.75 0.00 -1.64 -2.56 119.26 116.27 1j4g h ALA 131 Ca 0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1j4g h ALA 131 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1j4g h ALA 131 CO 0.03 0.67 -0.36 1.25 0.00 0.00 0.00 179.25 180.85 1j4g h LEU 132 N 0.63 0.92 -0.58 0.00 5.85 -0.86 -1.69 115.31 119.59 1j4g h LEU 132 Ca 0.04 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1j4g h LEU 132 Cb 0.99 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1j4g h LEU 132 CO 0.09 1.18 0.33 -0.78 -0.34 0.00 0.00 178.44 178.92 1j4g h ASP 133 N 0.72 0.51 0.18 1.25 3.58 -1.16 -1.05 116.42 120.44 1j4g h ASP 133 Ca 0.07 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 1j4g h ASP 133 Cb 0.93 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1j4g h ASP 133 CO 0.09 0.35 -0.46 -1.28 -2.88 0.00 0.00 179.24 175.05 1j4g h SER 134 N 0.63 0.37 -0.51 2.28 0.87 -1.34 -1.75 113.55 114.10 1j4g h SER 134 Ca 0.25 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1j4g h SER 134 Cb 0.10 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1j4g h SER 134 CO -0.14 0.78 -0.13 0.00 -0.53 0.00 0.00 176.83 176.81 1j4g h ALA 135 N 1.23 0.71 -0.30 6.23 0.00 -0.85 0.22 119.26 126.51 1j4g h ALA 135 Ca 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1j4g h ALA 135 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1j4g h ALA 135 CO 0.08 0.64 0.11 0.82 0.00 0.00 0.00 179.25 180.90 1j4g h ILE 136 N 0.86 1.18 -0.44 0.00 2.04 -1.03 0.19 117.51 120.31 1j4g h ILE 136 Ca 0.13 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1j4g h ILE 136 Cb 0.70 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1j4g h ILE 136 CO 0.05 0.19 0.29 0.74 0.00 0.00 0.00 178.15 179.42 1j4g h THR 137 N 0.33 1.11 -0.89 -0.27 2.02 -1.09 0.25 112.91 114.37 1j4g h THR 137 Ca 0.10 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1j4g h THR 137 Cb 0.19 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1j4g h THR 137 CO -0.01 0.11 0.57 0.74 0.37 0.00 0.00 175.52 177.30 1j4g h THR 138 N 0.59 1.23 0.00 3.16 2.02 -0.57 -2.36 112.91 116.99 1j4g h THR 138 Ca 0.16 -0.46 -0.20 0.00 0.77 0.00 0.00 66.41 66.68 1j4g h THR 138 Cb -0.06 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.27 1j4g h THR 138 CO -0.04 0.23 -0.96 -0.07 0.37 0.00 0.00 175.52 175.06 1j4g h LEU 139 N 1.21 0.00 -1.03 2.58 3.38 -0.08 -3.24 115.31 118.13 1j4g h LEU 139 Ca 0.32 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 1j4g h LEU 139 Cb -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1j4g h LEU 139 CO -0.07 0.92 -0.38 0.15 0.09 0.00 0.00 178.44 179.15 1j4g h PHE 140 N 0.00 0.22 -2.30 1.13 3.57 -0.26 -3.02 116.94 116.28 1j4g h PHE 140 Ca -0.02 -0.06 -0.68 0.00 3.53 0.00 0.00 57.97 60.74 1j4g h PHE 140 Cb 1.72 -0.05 -0.36 0.00 2.79 0.00 0.00 35.95 40.05 1j4g h PHE 140 CO 0.00 0.56 0.04 0.66 -2.23 0.00 0.00 178.31 177.34 1j4g n TYR 141 N -4.05 3.47 -1.43 0.41 4.01 -0.91 -4.92 117.16 113.73 1j4g n TYR 141 Ca -0.01 -3.42 -0.56 0.00 -0.16 0.00 0.00 57.90 53.75 1j4g n TYR 141 Cb 0.45 -0.79 -0.08 0.00 -0.31 0.00 0.00 39.34 38.61 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 0.00 0.88 -3.74 -0.72 9.36 -1.14 -4.91 117.16 116.90 1j4g n TYR 142 Ca 0.36 0.99 -0.18 0.00 3.32 0.00 0.00 57.90 62.39 1j4g n TYR 142 Cb 0.34 -1.94 -0.17 0.00 -0.63 0.00 0.00 39.34 36.94 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 0.81 0.79 0.53 2.98 3.04 -1.26 -5.04 114.94 116.78 1j4g s ASN 143 Ca 0.87 0.04 0.30 0.00 0.04 0.00 0.00 52.86 54.10 1j4g s ASN 143 Cb -1.22 -0.16 1.44 0.00 -1.54 0.00 0.00 41.25 39.78 1j4g s ASN 143 CO 0.59 -0.19 1.90 0.00 -3.04 0.00 0.00 177.10 176.36 1j4g h ALA 144 N 7.96 2.74 0.00 1.71 0.00 -1.98 -1.06 119.26 128.64 1j4g h ALA 144 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1j4g h ALA 144 Cb 1.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1j4g h ALA 144 CO 0.29 -0.99 -0.06 -0.91 0.00 0.00 0.00 179.25 177.59 1j4g h ASN 145 N 0.03 0.00 -0.00 0.00 -0.26 -1.98 -3.34 115.58 110.03 1j4g h ASN 145 Ca 0.40 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1j4g h ASN 145 Cb 1.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 1j4g h ASN 145 CO -0.02 0.00 -0.13 -1.54 -1.06 0.00 0.00 177.43 174.68 1j4g n SER 146 N -2.69 0.66 -0.21 5.81 3.41 -0.48 -4.77 113.62 115.35 1j4g n SER 146 Ca 0.05 -0.83 -0.09 0.00 -0.26 0.00 0.00 58.87 57.74 1j4g n SER 146 Cb 0.48 0.63 0.02 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.77 0.79 0.01 7.33 0.00 -1.48 -3.22 119.26 123.46 1j4g h ALA 147 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1j4g h ALA 147 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1j4g h ALA 147 CO 0.00 0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 1j4g h ALA 148 N 0.99 -0.37 -0.40 0.00 0.00 -1.86 0.16 119.26 117.79 1j4g h ALA 148 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1j4g h ALA 148 Cb 0.49 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1j4g h ALA 148 CO 0.02 -0.77 0.15 1.03 0.00 0.00 0.00 179.25 179.68 1j4g h SER 149 N -0.41 0.17 -0.88 0.00 0.87 -1.84 -1.79 113.55 109.66 1j4g h SER 149 Ca 0.06 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1j4g h SER 149 Cb 0.49 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 1j4g h SER 149 CO -0.22 0.13 0.45 0.00 -0.53 0.00 0.00 176.83 176.66 1j4g h ALA 150 N 1.25 1.13 -0.88 6.23 0.00 -1.47 -2.08 119.26 123.44 1j4g h ALA 150 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1j4g h ALA 150 Cb 0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1j4g h ALA 150 CO -0.18 0.67 0.52 -0.07 0.00 0.00 0.00 179.25 180.19 1j4g h LEU 151 N 1.24 1.06 -1.19 0.00 3.38 -0.23 -0.08 115.31 119.48 1j4g h LEU 151 Ca 0.31 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1j4g h LEU 151 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1j4g h LEU 151 CO -0.04 0.82 0.03 0.24 0.09 0.00 0.00 178.44 179.58 1j4g h MET 152 N 1.21 0.59 -0.44 1.13 2.86 -0.66 0.10 114.93 119.72 1j4g h MET 152 Ca 0.31 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1j4g h MET 152 Cb -0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1j4g h MET 152 CO -0.06 0.59 -0.17 0.28 1.06 0.00 0.00 176.91 178.61 1j4g h VAL 153 N 0.57 1.27 -0.30 -2.22 2.07 -0.82 -1.68 116.25 115.15 1j4g h VAL 153 Ca 0.12 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1j4g h VAL 153 Cb 0.31 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1j4g h VAL 153 CO 0.01 0.45 0.13 0.25 0.02 0.00 0.00 177.57 178.42 1j4g h LEU 154 N 0.73 0.41 -0.49 2.57 5.85 -0.36 -1.12 115.31 122.91 1j4g h LEU 154 Ca 0.10 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1j4g h LEU 154 Cb 0.73 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1j4g h LEU 154 CO 0.06 0.45 0.23 0.40 -0.34 0.00 0.00 178.44 179.23 1j4g h ILE 155 N 0.34 1.19 0.00 4.05 2.04 -0.78 -1.62 117.51 122.73 1j4g h ILE 155 Ca 0.10 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1j4g h ILE 155 Cb 0.16 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1j4g h ILE 155 CO -0.01 0.21 -0.57 1.56 0.00 0.00 0.00 178.15 179.34 1j4g h GLN 156 N 0.64 0.00 0.00 2.37 4.20 -1.18 -1.26 115.11 119.88 1j4g h GLN 156 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1j4g h GLN 156 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1j4g h GLN 156 CO -0.02 0.57 0.00 0.77 -0.67 0.00 0.00 178.83 179.48 1j4g h SER 157 N 0.00 0.00 0.00 1.46 0.02 -0.85 -2.50 113.55 111.68 1j4g h SER 157 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1j4g h SER 157 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1j4g h SER 157 CO 0.07 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.11 1j4g n THR 158 N -2.30 0.00 0.13 -2.27 -2.24 -0.64 -4.61 114.28 102.35 1j4g n THR 158 Ca 0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1j4g n THR 158 Cb 0.35 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.68 -0.54 3.42 0.02 -1.47 0.30 113.55 114.60 1j4g h SER 159 Ca 0.00 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1j4g h SER 159 Cb 0.00 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1j4g h SER 159 CO 0.00 -0.34 0.02 -0.33 -1.14 0.00 0.00 176.83 175.04 1j4g h GLU 160 N -0.47 0.97 -0.60 3.45 4.39 -1.54 -0.96 114.58 119.82 1j4g h GLU 160 Ca 0.02 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1j4g h GLU 160 Cb 0.48 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1j4g h GLU 160 CO -0.11 0.95 0.08 0.00 -1.16 0.00 0.00 179.01 178.77 1j4g h ALA 161 N 1.11 1.02 -0.34 3.43 0.00 -1.20 -2.22 119.26 121.05 1j4g h ALA 161 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1j4g h ALA 161 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1j4g h ALA 161 CO 0.02 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.93 1j4g h ALA 162 N 1.16 1.41 0.00 0.00 0.00 0.15 -3.01 119.26 118.98 1j4g h ALA 162 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1j4g h ALA 162 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1j4g h ALA 162 CO 0.01 0.42 -0.52 0.00 0.00 0.00 0.00 179.25 179.16 1j4g h ARG 163 N 0.51 0.00 -3.53 0.00 3.08 -0.65 -3.41 114.38 110.38 1j4g h ARG 163 Ca 0.11 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.82 1j4g h ARG 163 Cb 0.28 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.97 1j4g h ARG 163 CO 0.01 0.52 -0.74 0.71 -1.07 0.00 0.00 179.97 179.40 1j4g s TYR 164 N -3.25 0.18 0.46 3.04 2.02 -0.89 0.17 117.35 119.07 1j4g s TYR 164 Ca 0.02 0.11 0.12 0.00 -0.37 0.00 0.00 57.07 56.94 1j4g s TYR 164 Cb 0.10 -0.41 1.03 0.00 -0.40 0.00 0.00 41.96 42.28 1j4g s TYR 164 CO 0.73 -0.15 2.07 0.87 -1.57 0.00 0.00 175.55 177.50 1j4g h LYS 165 N 7.72 0.23 -0.61 -0.62 1.57 -1.55 -0.90 116.57 122.41 1j4g h LYS 165 Ca -0.32 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 1j4g h LYS 165 Cb 1.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1j4g h LYS 165 CO 0.36 0.20 0.03 0.35 -0.57 0.00 0.00 179.45 179.82 1j4g h PHE 166 N 0.23 1.14 -0.24 -1.35 3.57 -1.88 0.18 116.94 118.59 1j4g h PHE 166 Ca 0.06 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.29 1j4g h PHE 166 Cb 0.06 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1j4g h PHE 166 CO 0.00 0.99 -0.18 0.82 -2.23 0.00 0.00 178.31 177.71 1j4g h ILE 167 N 0.95 1.31 -0.34 1.41 2.04 -1.69 -0.49 117.51 120.71 1j4g h ILE 167 Ca 0.18 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 64.79 1j4g h ILE 167 Cb 0.52 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1j4g h ILE 167 CO 0.03 0.41 -0.06 -0.08 0.00 0.00 0.00 178.15 178.45 1j4g h GLU 168 N 0.24 0.03 -0.38 2.37 4.81 -0.91 -0.76 114.58 119.98 1j4g h GLU 168 Ca 0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1j4g h GLU 168 Cb 0.71 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1j4g h GLU 168 CO 0.05 0.02 0.20 0.37 -0.73 0.00 0.00 179.01 178.92 1j4g h GLN 169 N 0.03 0.53 -0.60 1.92 4.15 -0.57 -0.46 115.11 120.11 1j4g h GLN 169 Ca 0.16 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 1j4g h GLN 169 Cb 0.24 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1j4g h GLN 169 CO -0.32 0.44 0.12 1.96 -1.93 0.00 0.00 178.83 179.10 1j4g h GLN 170 N 0.48 0.99 -0.16 1.69 1.08 -0.61 -2.09 115.11 116.48 1j4g h GLN 170 Ca 0.13 -0.25 -0.22 0.00 -1.45 0.00 0.00 58.65 56.86 1j4g h GLN 170 Cb 0.07 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1j4g h GLN 170 CO -0.02 0.92 -0.76 0.82 -0.95 0.00 0.00 178.83 178.83 1j4g h ILE 171 N 0.89 1.28 0.00 2.54 2.04 -1.07 -3.27 117.51 119.92 1j4g h ILE 171 Ca 0.19 -1.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 1j4g h ILE 171 Cb 0.39 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1j4g h ILE 171 CO 0.01 0.62 -0.14 1.23 0.00 0.00 0.00 178.15 179.87 1j4g h GLY 172 N 0.59 0.00 2.00 5.37 0.00 -0.92 -2.28 103.07 107.83 1j4g h GLY 172 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1j4g h GLY 172 CO 0.16 0.00 -0.17 1.70 0.00 0.00 0.00 176.54 178.22 1j4g h LYS 173 N 0.00 0.00 -4.27 4.80 3.64 -1.43 -3.36 116.57 115.95 1j4g h LYS 173 Ca -0.00 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.62 1j4g h LYS 173 Cb 0.43 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.02 1j4g h LYS 173 CO 0.02 0.17 0.48 1.03 -2.27 0.00 0.00 179.45 178.88 1j4g s ARG 174 N -3.47 3.71 -0.12 1.90 3.00 -0.86 -4.80 118.95 118.33 1j4g s ARG 174 Ca 0.02 -2.33 -0.13 0.00 0.00 0.00 0.00 55.73 53.30 1j4g s ARG 174 Cb 0.09 -4.66 -0.26 0.00 0.00 0.00 0.00 34.95 30.12 1j4g s ARG 174 CO 0.64 -1.48 0.46 0.28 0.00 0.00 0.00 175.30 175.19 1j4g h VAL 175 N 4.99 0.87 -0.07 3.52 2.07 -1.82 0.92 116.25 126.74 1j4g h VAL 175 Ca 0.15 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1j4g h VAL 175 Cb 1.00 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1j4g h VAL 175 CO 0.94 0.73 0.00 0.47 0.02 0.00 0.00 177.57 179.73 1j4g n ASP 176 N -3.82 2.35 -4.08 0.57 8.00 -1.26 -4.25 116.55 114.06 1j4g n ASP 176 Ca -0.28 -2.36 -0.09 0.00 0.71 0.00 0.00 54.79 52.77 1j4g n ASP 176 Cb 0.94 -0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.76 1j4g n ASP 176 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1j4g s LYS 177 N -1.62 0.87 0.19 -1.24 -0.14 -1.26 -4.98 119.74 111.55 1j4g s LYS 177 Ca 0.15 -1.30 0.02 0.00 -1.36 0.00 0.00 55.97 53.47 1j4g s LYS 177 Cb 0.11 0.26 0.02 0.00 -1.68 0.00 0.00 37.83 36.54 1j4g s LYS 177 CO 0.04 -0.24 0.13 0.25 -0.76 0.00 0.00 175.35 174.76 1j4g n THR 178 N -0.05 0.00 -3.54 2.17 -2.24 -1.26 -4.35 114.28 105.01 1j4g n THR 178 Ca -0.09 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.81 1j4g n THR 178 Cb 0.63 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1j4g n THR 178 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1j4g s PHE 179 N -1.04 -0.39 -0.09 4.78 -0.71 -0.47 -4.93 117.98 115.13 1j4g s PHE 179 Ca 0.10 0.52 -0.23 0.00 -1.04 0.00 0.00 56.93 56.28 1j4g s PHE 179 Cb -0.01 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1j4g s PHE 179 CO 0.06 -0.45 0.68 -0.51 -1.34 0.00 0.00 175.22 173.66 1j4g s LEU 180 N -1.66 4.29 0.51 -1.99 1.43 -1.26 -0.74 118.68 119.25 1j4g s LEU 180 Ca -0.00 1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 1j4g s LEU 180 Cb -0.01 -3.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1j4g s LEU 180 CO -0.02 -0.14 1.34 -2.16 0.23 0.00 0.00 176.35 175.60 1j4g s PRO 181 N 0.99 3.37 0.82 1.29 0.04 -1.26 -4.98 135.00 135.26 1j4g s PRO 181 Ca 0.36 2.19 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 1j4g s PRO 181 Cb -0.17 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.08 1j4g s PRO 181 CO 0.16 -0.99 1.10 -1.54 0.04 0.00 0.00 177.00 175.77 1j4g s SER 182 N -0.93 4.26 0.49 6.66 1.04 -1.26 -4.83 113.70 119.12 1j4g s SER 182 Ca 0.68 1.29 0.18 0.00 0.48 0.00 0.00 55.95 58.58 1j4g s SER 182 Cb -0.39 -2.00 1.21 0.00 0.10 0.00 0.00 66.02 64.94 1j4g s SER 182 CO 0.47 -2.11 2.07 -0.07 0.98 0.00 0.00 173.24 174.58 1j4g h LEU 183 N -1.19 0.00 -0.16 2.42 3.38 -1.93 -1.73 115.31 116.10 1j4g h LEU 183 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1j4g h LEU 183 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1j4g h LEU 183 CO 0.59 0.11 0.10 0.00 0.09 0.00 0.00 178.44 179.33 1j4g h ALA 184 N 1.89 0.20 -0.43 1.53 0.00 -1.76 0.39 119.26 121.08 1j4g h ALA 184 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1j4g h ALA 184 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1j4g h ALA 184 CO 0.01 -0.32 0.26 0.82 0.00 0.00 0.00 179.25 180.02 1j4g h ILE 185 N 0.21 1.06 -0.77 0.00 2.04 -1.64 -1.35 117.51 117.06 1j4g h ILE 185 Ca 0.06 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1j4g h ILE 185 Cb -0.02 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1j4g h ILE 185 CO -0.02 0.10 0.37 0.40 0.00 0.00 0.00 178.15 179.01 1j4g h ILE 186 N 0.53 1.24 -0.89 -0.67 1.08 -1.09 -2.03 117.51 115.69 1j4g h ILE 186 Ca 0.17 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1j4g h ILE 186 Cb -0.01 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 1j4g h ILE 186 CO -0.07 0.29 0.57 -1.28 -0.69 0.00 0.00 178.15 176.98 1j4g h SER 187 N 1.08 1.04 -0.18 1.72 0.87 0.11 -0.48 113.55 117.71 1j4g h SER 187 Ca 0.26 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1j4g h SER 187 Cb 0.11 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1j4g h SER 187 CO -0.03 0.77 0.04 -0.07 -0.53 0.00 0.00 176.83 177.00 1j4g h LEU 188 N 1.21 0.28 -0.28 2.23 3.38 -0.75 -0.08 115.31 121.30 1j4g h LEU 188 Ca 0.32 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1j4g h LEU 188 Cb -0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1j4g h LEU 188 CO -0.07 0.45 0.14 -0.33 0.09 0.00 0.00 178.44 178.73 1j4g h GLU 189 N 0.10 0.29 -0.59 1.13 5.08 -1.16 -0.56 114.58 118.87 1j4g h GLU 189 Ca 0.06 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1j4g h GLU 189 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1j4g h GLU 189 CO 0.00 0.19 0.08 -0.91 -1.00 0.00 0.00 179.01 177.37 1j4g h ASN 190 N 0.30 0.92 -0.15 1.42 2.35 -0.99 -2.96 115.58 116.46 1j4g h ASN 190 Ca 0.12 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1j4g h ASN 190 Cb 0.03 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1j4g h ASN 190 CO -0.08 0.93 0.00 -1.20 -1.65 0.00 0.00 177.43 175.44 1j4g n SER 191 N -4.22 1.69 0.04 5.81 7.64 -0.05 -4.51 113.62 120.01 1j4g n SER 191 Ca 0.04 -1.69 -0.10 0.00 1.01 0.00 0.00 58.87 58.12 1j4g n SER 191 Cb 0.29 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 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 2.29 -0.47 -0.34 1.43 7.01 -0.93 0.71 115.95 125.66 1j4g h TRP 192 Ca 0.00 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1j4g h TRP 192 Cb 0.50 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 1j4g h TRP 192 CO 0.09 -0.26 -0.02 0.66 -2.79 0.00 0.00 178.44 176.13 1j4g h SER 193 N -0.27 0.50 -0.34 2.65 4.64 -1.83 -1.09 113.55 117.81 1j4g h SER 193 Ca 0.07 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1j4g h SER 193 Cb 0.36 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1j4g h SER 193 CO -0.20 0.59 -0.13 0.00 -0.87 0.00 0.00 176.83 176.21 1j4g h ALA 194 N 1.47 0.47 -0.06 5.18 0.00 -1.77 -1.63 119.26 122.92 1j4g h ALA 194 Ca 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1j4g h ALA 194 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1j4g h ALA 194 CO 0.01 0.37 0.00 1.25 0.00 0.00 0.00 179.25 180.88 1j4g h LEU 195 N 0.47 0.10 -0.69 0.00 6.46 -0.53 -1.54 115.31 119.59 1j4g h LEU 195 Ca 0.08 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1j4g h LEU 195 Cb 0.66 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 1j4g h LEU 195 CO 0.04 0.36 0.42 -1.28 -0.62 0.00 0.00 178.44 177.37 1j4g h SER 196 N -0.17 0.69 -0.90 1.25 0.87 -1.23 -1.02 113.55 113.05 1j4g h SER 196 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1j4g h SER 196 Cb 0.31 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1j4g h SER 196 CO 0.00 0.48 0.54 0.50 -0.53 0.00 0.00 176.83 177.82 1j4g h LYS 197 N 0.83 1.22 -0.07 2.24 3.11 -1.12 -1.29 116.57 121.50 1j4g h LYS 197 Ca 0.28 -0.11 -0.11 0.00 -2.81 0.00 0.00 60.65 57.89 1j4g h LYS 197 Cb 0.04 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.00 1j4g h LYS 197 CO -0.11 0.86 -0.47 1.96 -2.81 0.00 0.00 179.45 178.87 1j4g h GLN 198 N 1.24 0.16 -0.29 1.90 1.08 -0.50 0.18 115.11 118.88 1j4g h GLN 198 Ca 0.32 -0.09 -0.18 0.00 -1.45 0.00 0.00 58.65 57.25 1j4g h GLN 198 Cb -0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1j4g h GLN 198 CO -0.06 0.61 -0.53 0.82 -0.95 0.00 0.00 178.83 178.72 1j4g h ILE 199 N 0.13 1.28 -0.08 2.54 2.04 -0.73 0.54 117.51 123.23 1j4g h ILE 199 Ca 0.01 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 1j4g h ILE 199 Cb 0.89 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1j4g h ILE 199 CO 0.07 0.56 0.03 1.56 0.00 0.00 0.00 178.15 180.37 1j4g h GLN 200 N 0.66 0.13 -0.68 2.37 4.20 -1.02 -2.08 115.11 118.68 1j4g h GLN 200 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j4g h GLN 200 Cb 1.13 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 1j4g h GLN 200 CO 0.12 0.24 0.43 0.82 -0.67 0.00 0.00 178.83 179.77 1j4g h ILE 201 N -0.02 1.18 -0.26 2.54 2.04 -0.82 -1.90 117.51 120.28 1j4g h ILE 201 Ca 0.03 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1j4g h ILE 201 Cb 0.16 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1j4g h ILE 201 CO -0.00 0.18 0.13 0.00 0.00 0.00 0.00 178.15 178.46 1j4g h ALA 202 N 1.55 1.73 0.00 1.87 0.00 0.73 0.73 119.26 125.87 1j4g h ALA 202 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1j4g h ALA 202 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1j4g h ALA 202 CO -0.05 0.23 -0.06 0.66 0.00 0.00 0.00 179.25 180.03 1j4g h SER 203 N 0.36 0.00 -0.41 0.00 4.64 -0.72 0.34 113.55 117.77 1j4g h SER 203 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1j4g h SER 203 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1j4g h SER 203 CO -0.01 0.06 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 1j4g n THR 204 N -3.23 0.53 -2.40 2.95 -2.24 0.19 -4.37 114.28 105.70 1j4g n THR 204 Ca -0.01 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 60.97 1j4g n THR 204 Cb 0.27 0.96 0.06 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.51 2.29 -3.85 3.42 4.05 -0.27 -4.98 115.26 117.42 1j4g n ASN 205 Ca 0.20 -2.68 -0.29 0.00 0.45 0.00 0.00 54.58 52.25 1j4g n ASN 205 Cb 0.61 -0.41 0.04 0.00 1.23 0.00 0.00 39.78 41.24 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 -0.46 -5.01 0.00 1.20 4.05 -1.13 -2.56 115.26 111.35 1j4g n ASN 206 Ca 0.17 -0.74 0.00 0.00 0.45 0.00 0.00 54.58 54.47 1j4g n ASN 206 Cb 0.90 -4.10 0.00 0.00 1.23 0.00 0.00 39.78 37.82 1j4g n ASN 206 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j4g n GLY 207 N -1.75 0.75 3.43 8.20 0.00 0.10 -5.04 105.19 110.89 1j4g n GLY 207 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.31 2.62 0.60 1.61 1.11 -1.06 -2.33 119.66 121.90 1j4g s GLN 208 Ca 0.00 -0.73 -0.19 0.00 0.01 0.00 0.00 55.36 54.46 1j4g s GLN 208 Cb 0.00 -2.38 -0.03 0.00 -1.01 0.00 0.00 33.01 29.59 1j4g s GLN 208 CO 0.00 0.54 1.23 -0.06 0.01 0.00 0.00 175.29 177.00 1j4g s PHE 209 N -0.51 2.33 -0.12 0.91 0.40 0.18 -4.14 117.98 117.03 1j4g s PHE 209 Ca 0.07 1.51 0.17 0.00 -0.60 0.00 0.00 56.93 58.08 1j4g s PHE 209 Cb -0.12 -3.53 -0.21 0.00 0.51 0.00 0.00 43.02 39.68 1j4g s PHE 209 CO 0.01 -2.36 0.55 0.39 0.70 0.00 0.00 175.22 174.51 1j4g n GLU 210 N -1.63 0.65 -3.89 0.44 1.02 -1.26 -4.82 120.64 111.14 1j4g n GLU 210 Ca 0.14 0.11 -0.27 0.00 -0.02 0.00 0.00 57.16 57.12 1j4g n GLU 210 Cb 0.49 -1.69 -0.17 0.00 -0.02 0.00 0.00 31.44 30.06 1j4g n GLU 210 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1j4g s SER 211 N -5.56 2.20 0.49 1.62 0.01 -1.26 -5.12 113.70 106.07 1j4g s SER 211 Ca -0.06 -0.32 -0.24 0.00 1.31 0.00 0.00 55.95 56.64 1j4g s SER 211 Cb 0.09 -0.81 -0.07 0.00 0.21 0.00 0.00 66.02 65.43 1j4g s SER 211 CO 0.83 -0.13 1.34 -2.65 0.41 0.00 0.00 173.24 173.04 1j4g n PRO 212 N 4.96 1.89 -3.83 12.44 -0.02 -1.26 -4.97 135.00 144.20 1j4g n PRO 212 Ca -0.12 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 1j4g n PRO 212 Cb 0.50 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.32 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 -1.25 3.62 -0.15 -1.45 1.01 -0.66 -4.94 120.40 116.58 1j4g s VAL 213 Ca 0.66 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1j4g s VAL 213 Cb -0.45 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1j4g s VAL 213 CO 0.54 0.15 0.63 -0.69 0.00 0.00 0.00 175.10 175.73 1j4g s VAL 214 N 1.45 5.05 0.43 2.92 1.01 -1.26 -0.22 120.40 129.78 1j4g s VAL 214 Ca 0.02 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1j4g s VAL 214 Cb -0.17 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1j4g s VAL 214 CO 0.00 0.18 0.09 -0.76 0.00 0.00 0.00 175.10 174.61 1j4g s LEU 215 N 1.42 2.11 -0.12 3.92 1.43 0.40 -4.96 118.68 122.89 1j4g s LEU 215 Ca 0.31 -1.64 0.01 0.00 -1.03 0.00 0.00 54.13 51.78 1j4g s LEU 215 Cb -0.16 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1j4g s LEU 215 CO 0.12 -0.88 -0.17 -0.63 0.23 0.00 0.00 176.35 175.02 1j4g s ILE 216 N -3.11 2.62 0.69 -0.59 -1.09 -1.26 -1.10 121.20 117.35 1j4g s ILE 216 Ca 0.20 -0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 57.75 1j4g s ILE 216 Cb 0.03 -2.07 0.15 0.00 -1.58 0.00 0.00 42.46 38.99 1j4g s ILE 216 CO 0.11 0.54 0.94 -0.46 -1.23 0.00 0.00 174.94 174.84 1j4g n ASN 217 N 3.62 0.76 0.29 3.58 0.23 0.76 -4.26 115.26 120.23 1j4g n ASN 217 Ca -0.19 -1.76 0.16 0.00 -0.53 0.00 0.00 54.58 52.27 1j4g n ASN 217 Cb 0.53 -0.65 0.84 0.00 -2.08 0.00 0.00 39.78 38.42 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 -1.03 1.14 -0.16 -2.53 0.00 -1.96 -0.94 119.26 113.78 1j4g h ALA 218 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j4g h ALA 218 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1j4g h ALA 218 CO 0.28 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.65 1j4g n GLN 219 N -3.36 1.47 -2.24 0.00 3.00 -1.26 -4.88 117.38 110.10 1j4g n GLN 219 Ca -0.02 -0.72 -0.13 0.00 -0.01 0.00 0.00 57.00 56.12 1j4g n GLN 219 Cb 0.21 -1.26 -0.01 0.00 0.00 0.00 0.00 30.24 29.19 1j4g n GLN 219 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1j4g n ASN 220 N 0.01 -4.14 -4.65 1.08 4.05 -0.36 -5.02 115.26 106.23 1j4g n ASN 220 Ca 0.11 -0.01 -0.32 0.00 0.45 0.00 0.00 54.58 54.81 1j4g n ASN 220 Cb 0.20 -3.32 -0.09 0.00 1.23 0.00 0.00 39.78 37.80 1j4g n ASN 220 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1j4g s GLN 221 N -4.64 2.68 0.29 1.20 -0.21 -1.25 -4.86 119.66 112.87 1j4g s GLN 221 Ca 0.00 -0.67 -0.28 0.00 0.02 0.00 0.00 55.36 54.42 1j4g s GLN 221 Cb 0.00 -2.60 -0.09 0.00 1.00 0.00 0.00 33.01 31.32 1j4g s GLN 221 CO 0.00 0.61 1.02 1.03 -2.12 0.00 0.00 175.29 175.83 1j4g s ARG 222 N -1.57 4.63 -0.11 2.91 0.52 -1.26 -0.17 118.95 123.90 1j4g s ARG 222 Ca 0.19 1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 56.90 1j4g s ARG 222 Cb -0.11 -3.08 0.03 0.00 0.52 0.00 0.00 34.95 32.31 1j4g s ARG 222 CO 0.10 0.27 0.29 0.54 0.02 0.00 0.00 175.30 176.52 1j4g s VAL 223 N -1.30 -0.00 -0.09 3.52 0.11 -0.26 -4.90 120.40 117.48 1j4g s VAL 223 Ca 0.46 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1j4g s VAL 223 Cb -0.27 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1j4g s VAL 223 CO 0.34 0.00 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.21 1j4g s THR 224 N 0.24 4.14 -0.16 5.04 2.01 -1.26 -0.45 115.64 125.21 1j4g s THR 224 Ca -0.01 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1j4g s THR 224 Cb -0.03 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1j4g s THR 224 CO -0.00 0.59 0.04 -0.63 -0.69 0.00 0.00 174.62 173.92 1j4g s ILE 225 N -0.70 4.59 0.00 1.82 -1.09 0.70 -4.95 121.20 121.58 1j4g s ILE 225 Ca 0.11 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1j4g s ILE 225 Cb -0.12 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1j4g s ILE 225 CO 0.02 0.50 0.15 0.35 -1.23 0.00 0.00 174.94 174.74 1j4g n THR 226 N 3.17 0.00 -3.88 2.92 -2.24 -1.26 -1.65 114.28 111.35 1j4g n THR 226 Ca -0.17 -0.28 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 1j4g n THR 226 Cb 0.53 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.26 -0.12 0.00 3.42 2.20 -1.26 -0.64 114.94 118.27 1j4g s ASN 227 Ca 0.00 -0.82 0.22 0.00 -0.94 0.00 0.00 52.86 51.32 1j4g s ASN 227 Cb 0.00 0.74 1.32 0.00 -2.00 0.00 0.00 41.25 41.31 1j4g s ASN 227 CO 0.00 -1.40 1.70 1.33 -2.94 0.00 0.00 177.10 175.79 1j4g n VAL 228 N -0.47 0.00 1.21 3.54 0.24 -0.98 -2.71 118.33 119.15 1j4g n VAL 228 Ca -0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.39 1j4g n VAL 228 Cb 0.60 -0.63 0.49 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.98 0.48 -4.77 -1.34 8.00 -1.26 -4.44 116.55 112.24 1j4g n ASP 229 Ca 0.17 -0.36 -0.39 0.00 0.71 0.00 0.00 54.79 54.92 1j4g n ASP 229 Cb 0.08 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.70 3.25 0.41 2.24 0.00 -1.10 -4.80 121.76 119.05 1j4g s ALA 230 Ca 0.21 1.19 0.16 0.00 0.00 0.00 0.00 51.96 53.53 1j4g s ALA 230 Cb 0.19 -3.47 1.05 0.00 0.00 0.00 0.00 23.12 20.89 1j4g s ALA 230 CO 0.55 -0.78 1.86 0.78 0.00 0.00 0.00 175.76 178.17 1j4g h GLY 231 N 2.69 0.91 2.00 0.00 0.00 -1.92 0.01 103.07 106.75 1j4g h GLY 231 Ca -0.49 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1j4g h GLY 231 CO 0.63 0.01 -0.26 -0.24 0.00 0.00 0.00 176.54 176.67 1j4g h VAL 232 N 0.44 1.00 0.17 4.60 3.04 -1.91 0.22 116.25 123.81 1j4g h VAL 232 Ca 0.46 -0.95 -0.31 0.00 -1.01 0.00 0.00 66.70 64.89 1j4g h VAL 232 Cb 1.09 1.54 0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1j4g h VAL 232 CO -0.18 0.25 -1.53 0.58 -1.01 0.00 0.00 177.57 175.69 1j4g h VAL 233 N 0.00 1.06 0.00 1.51 2.07 -1.37 -1.41 116.25 118.11 1j4g h VAL 233 Ca -0.00 -2.50 -0.17 0.00 0.82 0.00 0.00 66.70 64.85 1j4g h VAL 233 Cb 0.52 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1j4g h VAL 233 CO 0.03 0.79 -0.96 0.71 0.02 0.00 0.00 177.57 178.17 1j4g h THR 234 N -0.06 1.02 -0.14 2.57 1.35 -1.05 -3.40 112.91 113.20 1j4g h THR 234 Ca -0.30 -2.55 -0.19 0.00 -0.55 0.00 0.00 66.41 62.82 1j4g h THR 234 Cb 1.97 2.46 -0.33 0.00 -1.73 0.00 0.00 68.15 70.51 1j4g h THR 234 CO 0.15 0.58 -0.96 -1.20 -0.25 0.00 0.00 175.52 173.85 1j4g n SER 235 N -3.17 1.49 0.00 5.36 7.64 0.75 -4.99 113.62 120.70 1j4g n SER 235 Ca -0.03 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1j4g n SER 235 Cb 0.85 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.08 0.00 -4.64 6.43 4.05 -1.19 -4.82 115.26 115.01 1j4g n ASN 236 Ca 0.11 0.00 -0.46 0.00 0.45 0.00 0.00 54.58 54.68 1j4g n ASN 236 Cb 0.99 0.20 -0.03 0.00 1.23 0.00 0.00 39.78 42.16 1j4g n ASN 236 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j4g n ILE 237 N -1.96 0.91 0.17 -1.44 3.06 -0.54 -1.78 119.36 117.78 1j4g n ILE 237 Ca 0.00 -0.23 0.02 0.00 -2.50 0.00 0.00 62.75 60.04 1j4g n ILE 237 Cb 0.00 -1.27 -0.01 0.00 0.54 0.00 0.00 39.64 38.90 1j4g n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1j4g n ALA 238 N 1.80 2.48 -3.21 1.51 0.00 0.13 -4.87 120.51 118.35 1j4g n ALA 238 Ca 0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1j4g n ALA 238 Cb 0.29 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.42 0.82 0.00 0.00 1.43 -1.24 -4.17 118.68 114.10 1j4g s LEU 239 Ca 0.03 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1j4g s LEU 239 Cb 0.03 1.12 0.05 0.00 0.03 0.00 0.00 46.19 47.42 1j4g s LEU 239 CO 0.11 -0.18 0.71 0.18 0.23 0.00 0.00 176.35 177.40