#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4r s VAL 2 N 0.00 1.14 -0.17 1.61 0.11 -1.26 -1.40 120.40 120.43 1j4r s VAL 2 Ca 0.00 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1j4r s VAL 2 Cb 0.00 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1j4r s VAL 2 CO 0.00 0.37 0.08 -1.58 -3.33 0.00 0.00 175.10 170.64 1j4r s GLN 3 N 1.07 3.92 -0.16 1.54 0.74 0.10 -4.92 119.66 121.95 1j4r s GLN 3 Ca -0.07 -0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.03 1j4r s GLN 3 Cb -0.15 -3.22 -0.00 0.00 1.10 0.00 0.00 33.01 30.74 1j4r s GLN 3 CO -0.01 0.34 -0.14 0.08 -0.55 0.00 0.00 175.29 175.01 1j4r s VAL 4 N 0.19 2.77 -0.10 1.34 1.01 -1.26 -0.14 120.40 124.21 1j4r s VAL 4 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1j4r s VAL 4 Cb -0.12 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1j4r s VAL 4 CO 0.00 0.51 -0.09 -1.61 0.00 0.00 0.00 175.10 173.91 1j4r s GLU 5 N 0.83 1.62 0.30 2.72 2.02 -0.44 -4.98 118.70 120.76 1j4r s GLU 5 Ca -0.05 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1j4r s GLU 5 Cb -0.15 -1.57 -0.09 0.00 0.10 0.00 0.00 34.13 32.42 1j4r s GLU 5 CO -0.00 -0.19 1.10 0.99 0.02 0.00 0.00 175.26 177.19 1j4r s THR 6 N 1.42 3.47 -0.17 3.63 2.01 -1.26 0.27 115.64 125.00 1j4r s THR 6 Ca -0.00 1.44 -0.06 0.00 0.31 0.00 0.00 61.69 63.37 1j4r s THR 6 Cb -0.13 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1j4r s THR 6 CO -0.05 0.31 -0.20 -0.38 -0.69 0.00 0.00 174.62 173.61 1j4r n ILE 7 N 1.02 0.91 -3.82 1.82 5.41 0.14 -4.84 119.36 120.00 1j4r n ILE 7 Ca -0.00 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.36 1j4r n ILE 7 Cb 0.45 -1.57 -0.14 0.00 -0.71 0.00 0.00 39.64 37.67 1j4r n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1j4r s SER 8 N -6.28 -0.08 0.35 4.38 0.01 0.17 -4.96 113.70 107.30 1j4r s SER 8 Ca -0.23 0.18 -0.27 0.00 1.31 0.00 0.00 55.95 56.94 1j4r s SER 8 Cb 0.08 0.15 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1j4r s SER 8 CO 0.31 -0.06 1.18 -2.84 0.41 0.00 0.00 173.24 172.24 1j4r s PRO 9 N 0.34 4.27 0.00 12.44 0.02 -1.26 -0.26 135.00 150.54 1j4r s PRO 9 Ca -0.02 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1j4r s PRO 9 Cb -0.04 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1j4r s PRO 9 CO -0.01 -0.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 1j4r n GLY 10 N 0.80 0.56 0.00 0.52 0.00 -1.26 -4.21 105.19 101.60 1j4r n GLY 10 Ca 0.02 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.30 1j4r n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4r n ASP 11 N -0.32 0.00 0.00 1.61 5.75 -0.30 -4.83 116.55 118.46 1j4r n ASP 11 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 1j4r n ASP 11 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1j4r n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j4r n GLY 12 N 0.71 0.38 0.00 6.12 0.00 -1.26 -4.73 105.19 106.40 1j4r n GLY 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1j4r n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j4r n ARG 13 N -1.50 2.45 -3.22 1.61 1.85 -1.26 -4.97 116.66 111.62 1j4r n ARG 13 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.39 1j4r n ARG 13 Cb 0.14 -0.69 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 1j4r n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1j4r s THR 14 N -1.11 5.24 -0.03 8.89 2.01 -1.26 -5.05 115.64 124.34 1j4r s THR 14 Ca 0.00 -1.85 -0.02 0.00 0.31 0.00 0.00 61.69 60.13 1j4r s THR 14 Cb 0.00 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 1j4r s THR 14 CO 0.00 -1.10 0.10 -0.36 -0.69 0.00 0.00 174.62 172.57 1j4r s PHE 15 N 1.34 3.36 0.22 4.92 0.08 -1.26 -1.38 117.98 125.26 1j4r s PHE 15 Ca 0.16 0.27 -0.32 0.00 0.12 0.00 0.00 56.93 57.17 1j4r s PHE 15 Cb -0.16 -1.79 -0.12 0.00 -0.57 0.00 0.00 43.02 40.38 1j4r s PHE 15 CO -0.04 0.58 1.65 -0.35 -0.10 0.00 0.00 175.22 176.97 1j4r n PRO 16 N 1.34 2.62 -4.05 0.24 -0.04 -1.26 -5.02 135.00 128.83 1j4r n PRO 16 Ca -0.14 0.94 -0.24 0.00 -0.04 0.00 0.00 63.50 64.02 1j4r n PRO 16 Cb 0.53 -2.75 -0.04 0.00 -0.04 0.00 0.00 33.50 31.20 1j4r n PRO 16 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1j4r s LYS 17 N 0.67 3.11 0.14 0.54 1.02 -1.26 -4.97 119.74 118.99 1j4r s LYS 17 Ca 0.73 -0.86 -0.33 0.00 0.02 0.00 0.00 55.97 55.53 1j4r s LYS 17 Cb -0.54 -2.72 -0.13 0.00 -0.52 0.00 0.00 37.83 33.92 1j4r s LYS 17 CO 0.38 0.45 1.66 -2.13 -0.92 0.00 0.00 175.35 174.79 1j4r n ARG 18 N -0.86 2.35 0.00 1.68 0.63 -1.26 -1.32 116.66 117.88 1j4r n ARG 18 Ca -0.08 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1j4r n ARG 18 Cb 0.56 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.81 1j4r n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j4r n GLY 19 N 3.70 3.30 3.80 5.14 0.00 -0.61 -4.99 105.19 115.53 1j4r n GLY 19 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1j4r n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4r s GLN 20 N -0.61 4.08 -0.24 1.61 -0.21 -0.44 -4.79 119.66 119.08 1j4r s GLN 20 Ca 0.00 1.36 -0.14 0.00 0.02 0.00 0.00 55.36 56.60 1j4r s GLN 20 Cb 0.00 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1j4r s GLN 20 CO 0.00 -0.19 0.32 0.99 -2.12 0.00 0.00 175.29 174.30 1j4r s THR 21 N -1.88 5.23 -0.09 -0.19 2.01 0.85 -2.27 115.64 119.30 1j4r s THR 21 Ca 0.61 0.51 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 1j4r s THR 21 Cb -0.17 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1j4r s THR 21 CO 0.21 0.24 0.43 0.00 -0.69 0.00 0.00 174.62 174.81 1j4r s VAL 23 N 0.14 3.18 0.29 0.00 1.01 -0.49 -1.23 120.40 123.31 1j4r s VAL 23 Ca 0.24 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1j4r s VAL 23 Cb -0.15 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1j4r s VAL 23 CO 0.10 0.30 0.07 0.68 0.00 0.00 0.00 175.10 176.26 1j4r s VAL 24 N 1.41 0.89 -0.03 2.92 -7.23 0.12 -1.40 120.40 117.08 1j4r s VAL 24 Ca 0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1j4r s VAL 24 Cb -0.15 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.09 1j4r s VAL 24 CO -0.04 -0.02 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.59 1j4r s HIS 25 N -3.52 1.45 0.18 2.82 3.76 -0.99 -0.70 115.29 118.29 1j4r s HIS 25 Ca 0.37 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.77 1j4r s HIS 25 Cb 0.08 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.79 1j4r s HIS 25 CO 0.14 -0.13 0.37 1.52 -0.85 0.00 0.00 174.74 175.79 1j4r s TYR 26 N 0.04 0.22 -0.06 1.40 -0.85 -1.26 -1.36 117.35 115.48 1j4r s TYR 26 Ca -0.03 -0.58 -0.01 0.00 -0.52 0.00 0.00 57.07 55.94 1j4r s TYR 26 Cb -0.10 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.37 1j4r s TYR 26 CO 0.01 -0.79 0.01 0.99 -1.52 0.00 0.00 175.55 174.25 1j4r s THR 27 N -3.94 0.28 -0.13 -3.49 2.01 -0.87 -0.79 115.64 108.71 1j4r s THR 27 Ca 0.14 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 1j4r s THR 27 Cb 0.02 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1j4r s THR 27 CO -0.01 0.23 0.04 -0.83 -0.69 0.00 0.00 174.62 173.36 1j4r s GLY 28 N 1.81 1.90 0.09 4.40 0.00 0.91 -1.00 107.32 115.43 1j4r s GLY 28 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1j4r s GLY 28 CO -0.04 -0.25 -0.07 1.06 0.00 0.00 0.00 173.10 173.80 1j4r s MET 29 N -0.28 0.79 0.88 2.90 -1.94 0.92 -0.70 119.30 121.87 1j4r s MET 29 Ca 0.07 -1.24 -0.13 0.00 -1.71 0.00 0.00 55.69 52.68 1j4r s MET 29 Cb -0.12 -0.23 0.15 0.00 2.01 0.00 0.00 34.83 36.64 1j4r s MET 29 CO 0.02 -0.00 1.24 -0.51 -0.01 0.00 0.00 175.02 175.75 1j4r s LEU 30 N -2.81 2.68 0.29 -0.03 1.43 0.04 -0.31 118.68 119.97 1j4r s LEU 30 Ca 0.08 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1j4r s LEU 30 Cb 0.03 -2.62 0.72 0.00 0.03 0.00 0.00 46.19 44.35 1j4r s LEU 30 CO -0.04 -2.36 1.73 1.05 0.23 0.00 0.00 176.35 176.96 1j4r h GLU 31 N -1.33 0.53 -0.20 1.70 9.09 -1.87 -1.57 114.58 120.93 1j4r h GLU 31 Ca -0.44 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 58.89 1j4r h GLU 31 Cb 1.27 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 1j4r h GLU 31 CO 0.48 0.35 -0.09 0.38 0.05 0.00 0.00 179.01 180.18 1j4r h ASP 32 N 0.55 0.29 0.00 3.06 3.04 -1.92 -3.46 116.42 117.98 1j4r h ASP 32 Ca 0.56 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 54.29 1j4r h ASP 32 Cb 0.98 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 1j4r h ASP 32 CO -0.46 0.42 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 1j4r n GLY 33 N -0.90 1.29 3.67 7.15 0.00 -0.59 -5.09 105.19 110.72 1j4r n GLY 33 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j4r n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j4r s LYS 34 N -0.09 4.34 0.20 1.61 2.47 -1.26 -4.80 119.74 122.20 1j4r s LYS 34 Ca 0.00 1.20 -0.30 0.00 -1.56 0.00 0.00 55.97 55.32 1j4r s LYS 34 Cb 0.00 -3.57 -0.08 0.00 -1.46 0.00 0.00 37.83 32.72 1j4r s LYS 34 CO 0.00 -0.37 1.10 0.21 0.16 0.00 0.00 175.35 176.45 1j4r s LYS 35 N 2.26 4.60 -0.01 4.03 2.20 -1.26 -0.78 119.74 130.78 1j4r s LYS 35 Ca 0.43 1.73 0.11 0.00 -0.36 0.00 0.00 55.97 57.88 1j4r s LYS 35 Cb -0.17 -3.26 -0.15 0.00 -1.51 0.00 0.00 37.83 32.74 1j4r s LYS 35 CO 0.13 0.10 0.34 1.97 -0.36 0.00 0.00 175.35 177.53 1j4r n PHE 36 N 2.17 0.00 -3.58 4.03 1.16 0.12 -4.93 117.46 116.43 1j4r n PHE 36 Ca 0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.52 1j4r n PHE 36 Cb 0.46 -0.14 -0.04 0.00 -1.61 0.00 0.00 39.48 38.14 1j4r n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1j4r s ASP 37 N -2.73 -0.27 -0.18 5.98 2.15 -1.18 -5.01 116.67 115.43 1j4r s ASP 37 Ca -0.01 0.23 -0.07 0.00 0.43 0.00 0.00 52.55 53.13 1j4r s ASP 37 Cb 0.08 0.24 0.07 0.00 -0.30 0.00 0.00 42.92 43.01 1j4r s ASP 37 CO 0.45 -0.30 0.39 -0.55 -0.17 0.00 0.00 175.17 174.99 1j4r s SER 38 N -1.41 -0.28 0.46 -0.34 0.15 -1.26 -0.06 113.70 110.95 1j4r s SER 38 Ca 0.03 0.90 0.25 0.00 0.70 0.00 0.00 55.95 57.82 1j4r s SER 38 Cb -0.01 1.03 1.04 0.00 -1.71 0.00 0.00 66.02 66.38 1j4r s SER 38 CO -0.02 -0.22 1.88 0.77 1.20 0.00 0.00 173.24 176.85 1j4r h SER 39 N 7.76 0.00 -0.24 5.45 4.64 -1.23 -2.68 113.55 127.25 1j4r h SER 39 Ca -0.24 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 1j4r h SER 39 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1j4r h SER 39 CO 0.19 0.20 -0.35 0.03 -0.87 0.00 0.00 176.83 176.04 1j4r h ARG 40 N 0.00 0.66 -0.36 4.77 3.08 -1.84 0.01 114.38 120.70 1j4r h ARG 40 Ca -0.00 -0.39 -0.13 0.00 0.07 0.00 0.00 59.98 59.53 1j4r h ARG 40 Cb 0.66 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1j4r h ARG 40 CO 0.03 1.00 -0.29 -0.44 -1.07 0.00 0.00 179.97 179.20 1j4r h ASP 41 N 0.37 0.78 0.83 7.04 3.32 -1.87 -2.26 116.42 124.63 1j4r h ASP 41 Ca 0.02 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1j4r h ASP 41 Cb 0.93 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1j4r h ASP 41 CO 0.08 1.02 0.00 0.54 -1.72 0.00 0.00 179.24 179.16 1j4r n ARG 42 N -4.09 0.14 -3.79 3.56 1.74 -1.02 -4.93 116.66 108.28 1j4r n ARG 42 Ca -0.01 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 1j4r n ARG 42 Cb 0.47 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1j4r n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j4r n ASN 43 N -1.43 -0.85 -3.42 0.55 4.05 -0.18 -5.00 115.26 108.99 1j4r n ASN 43 Ca 0.09 -0.88 -0.15 0.00 0.45 0.00 0.00 54.58 54.09 1j4r n ASN 43 Cb 0.30 -3.71 -0.10 0.00 1.23 0.00 0.00 39.78 37.50 1j4r n ASN 43 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1j4r s LYS 44 N -6.18 0.28 0.49 1.20 2.20 -0.23 -5.03 119.74 112.47 1j4r s LYS 44 Ca 0.00 0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 55.57 1j4r s LYS 44 Cb -0.00 -0.83 -0.07 0.00 -1.51 0.00 0.00 37.83 35.42 1j4r s LYS 44 CO 0.84 -0.77 1.37 -1.25 -0.36 0.00 0.00 175.35 175.18 1j4r s PRO 45 N 2.40 3.49 -0.16 4.03 0.04 -1.26 -4.67 135.00 138.87 1j4r s PRO 45 Ca 0.09 2.28 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 1j4r s PRO 45 Cb -0.15 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1j4r s PRO 45 CO -0.19 -0.93 0.47 0.12 0.04 0.00 0.00 177.00 176.51 1j4r s PHE 46 N -1.27 3.45 -0.10 0.56 5.36 0.12 -4.87 117.98 121.23 1j4r s PHE 46 Ca 0.65 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 57.44 1j4r s PHE 46 Cb -0.41 -2.58 -0.02 0.00 -0.34 0.00 0.00 43.02 39.67 1j4r s PHE 46 CO 0.51 0.06 -0.15 0.15 -1.46 0.00 0.00 175.22 174.33 1j4r s LYS 47 N 1.05 3.00 -0.04 10.12 1.02 -1.26 -0.70 119.74 132.93 1j4r s LYS 47 Ca 0.24 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 1j4r s LYS 47 Cb -0.15 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1j4r s LYS 47 CO 0.09 0.37 0.44 -0.59 -0.92 0.00 0.00 175.35 174.74 1j4r s PHE 48 N -0.06 -0.37 -0.20 3.18 -0.71 -0.36 -4.96 117.98 114.50 1j4r s PHE 48 Ca -0.03 0.64 -0.07 0.00 -1.04 0.00 0.00 56.93 56.43 1j4r s PHE 48 Cb -0.14 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1j4r s PHE 48 CO 0.04 -0.45 0.06 1.41 -1.34 0.00 0.00 175.22 174.94 1j4r s MET 49 N -1.13 3.90 0.43 1.99 1.75 -1.26 0.87 119.30 125.85 1j4r s MET 49 Ca -0.11 -0.38 -0.25 0.00 -1.25 0.00 0.00 55.69 53.70 1j4r s MET 49 Cb -0.03 -3.23 -0.08 0.00 2.84 0.00 0.00 34.83 34.33 1j4r s MET 49 CO 0.06 0.18 1.30 -0.51 -0.65 0.00 0.00 175.02 175.39 1j4r s LEU 50 N 0.63 4.13 0.00 4.11 1.43 -0.96 -2.76 118.68 125.26 1j4r s LEU 50 Ca 0.03 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1j4r s LEU 50 Cb -0.13 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1j4r s LEU 50 CO 0.02 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.23 1j4r n GLY 51 N 0.64 0.64 0.86 -3.19 0.00 -1.26 -1.57 105.19 101.30 1j4r n GLY 51 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1j4r n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4r n LYS 52 N -2.67 3.00 -4.00 1.61 4.76 -1.11 -4.97 118.16 114.77 1j4r n LYS 52 Ca 0.00 -2.40 -0.29 0.00 -2.87 0.00 0.00 58.31 52.75 1j4r n LYS 52 Cb 0.00 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 1j4r n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1j4r n GLN 53 N 0.37 -3.89 0.00 1.97 3.00 -1.26 -4.88 117.38 112.70 1j4r n GLN 53 Ca 0.17 0.46 0.11 0.00 -0.01 0.00 0.00 57.00 57.72 1j4r n GLN 53 Cb 0.62 -4.97 -0.05 0.00 0.00 0.00 0.00 30.24 25.84 1j4r n GLN 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1j4r n GLU 54 N -4.44 0.11 -4.17 -1.09 1.02 -1.26 -4.99 120.64 105.81 1j4r n GLU 54 Ca -0.12 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 1j4r n GLU 54 Cb 0.59 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 1j4r n GLU 54 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1j4r s VAL 55 N -3.08 0.21 0.64 2.62 -7.23 -1.26 -5.08 120.40 107.21 1j4r s VAL 55 Ca 0.06 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 1j4r s VAL 55 Cb 0.16 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1j4r s VAL 55 CO 0.84 -0.46 1.29 0.27 -0.31 0.00 0.00 175.10 176.73 1j4r s ILE 56 N -3.98 2.11 0.31 -0.62 -4.36 -1.26 -4.72 121.20 108.69 1j4r s ILE 56 Ca 0.24 0.07 0.08 0.00 -0.26 0.00 0.00 60.65 60.78 1j4r s ILE 56 Cb 0.07 -3.03 0.30 0.00 1.25 0.00 0.00 42.46 41.06 1j4r s ILE 56 CO 0.02 -0.01 1.72 -0.09 0.24 0.00 0.00 174.94 176.82 1j4r h ARG 57 N 0.62 0.52 -0.73 0.37 2.43 -1.87 -1.80 114.38 113.92 1j4r h ARG 57 Ca -0.51 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1j4r h ARG 57 Cb 1.33 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1j4r h ARG 57 CO 0.54 0.34 0.48 0.78 -1.51 0.00 0.00 179.97 180.60 1j4r h GLY 58 N 0.53 1.01 0.39 2.80 0.00 -1.59 -1.55 103.07 104.66 1j4r h GLY 58 Ca 0.62 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1j4r h GLY 58 CO -0.49 0.31 -0.07 1.49 0.00 0.00 0.00 176.54 177.77 1j4r h TRP 59 N 0.89 -0.19 -0.73 5.60 4.06 -1.62 0.94 115.95 124.90 1j4r h TRP 59 Ca 0.29 -0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.40 1j4r h TRP 59 Cb 0.04 0.06 -0.13 0.00 -1.00 0.00 0.00 29.16 28.14 1j4r h TRP 59 CO -0.00 0.26 -0.01 1.49 -3.56 0.00 0.00 178.44 176.62 1j4r h GLU 60 N -0.82 0.10 0.20 0.49 4.57 -1.19 0.31 114.58 118.23 1j4r h GLU 60 Ca -0.02 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 57.86 1j4r h GLU 60 Cb 0.53 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1j4r h GLU 60 CO 0.03 0.06 -1.33 0.93 -1.18 0.00 0.00 179.01 177.52 1j4r h GLU 61 N 0.10 0.41 0.37 1.92 5.08 -1.39 -3.27 114.58 117.80 1j4r h GLU 61 Ca 0.39 -0.71 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1j4r h GLU 61 Cb 0.68 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1j4r h GLU 61 CO -0.65 1.34 -0.18 0.78 -1.00 0.00 0.00 179.01 179.30 1j4r h GLY 62 N 0.08 -0.53 2.00 -3.84 0.00 -0.33 -3.04 103.07 97.42 1j4r h GLY 62 Ca -0.25 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1j4r h GLY 62 CO 0.20 -0.19 -0.10 -2.08 0.00 0.00 0.00 176.54 174.37 1j4r h VAL 63 N -0.63 0.45 0.00 4.60 2.07 -0.59 -2.16 116.25 119.99 1j4r h VAL 63 Ca -0.05 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1j4r h VAL 63 Cb 0.46 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1j4r h VAL 63 CO 0.08 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 177.63 1j4r h ALA 64 N 1.90 1.26 -0.00 1.67 0.00 -1.58 -2.61 119.26 119.90 1j4r h ALA 64 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1j4r h ALA 64 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j4r h ALA 64 CO 0.01 0.18 -0.09 1.04 0.00 0.00 0.00 179.25 180.39 1j4r n GLN 65 N -3.64 0.53 -3.68 0.00 6.02 -0.81 -4.44 117.38 111.37 1j4r n GLN 65 Ca -0.02 -0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.49 1j4r n GLN 65 Cb 0.27 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 1j4r n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j4r s MET 66 N -2.56 3.67 0.08 -1.09 -1.94 -0.99 -5.09 119.30 111.39 1j4r s MET 66 Ca 0.27 0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.32 1j4r s MET 66 Cb 0.20 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1j4r s MET 66 CO 0.49 0.63 0.21 -1.54 -0.01 0.00 0.00 175.02 174.80 1j4r s SER 67 N -1.60 6.26 -0.01 3.03 1.04 -1.26 -4.18 113.70 116.99 1j4r s SER 67 Ca 0.28 0.22 -0.39 0.00 0.48 0.00 0.00 55.95 56.54 1j4r s SER 67 Cb -0.14 -1.90 -0.18 0.00 0.10 0.00 0.00 66.02 63.91 1j4r s SER 67 CO 0.16 0.15 1.32 0.52 0.98 0.00 0.00 173.24 176.36 1j4r n VAL 68 N 0.15 0.03 -0.10 5.02 0.31 -0.48 -0.76 118.33 122.50 1j4r n VAL 68 Ca -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1j4r n VAL 68 Cb 0.52 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1j4r n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4r n GLY 69 N 2.49 1.05 3.82 2.92 0.00 0.35 -1.15 105.19 114.67 1j4r n GLY 69 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1j4r n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j4r s GLN 70 N -0.61 4.24 -0.07 1.61 0.74 0.06 -4.36 119.66 121.28 1j4r s GLN 70 Ca 0.00 1.11 0.02 0.00 0.05 0.00 0.00 55.36 56.54 1j4r s GLN 70 Cb 0.00 -2.23 0.01 0.00 1.10 0.00 0.00 33.01 31.89 1j4r s GLN 70 CO 0.00 -0.00 -0.14 0.50 -0.55 0.00 0.00 175.29 175.10 1j4r s ARG 71 N -3.10 1.93 0.07 1.67 3.52 0.64 -0.61 118.95 123.07 1j4r s ARG 71 Ca 0.61 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 1j4r s ARG 71 Cb -0.10 -1.56 -0.01 0.00 -1.56 0.00 0.00 34.95 31.73 1j4r s ARG 71 CO 0.14 0.05 0.16 0.00 -0.81 0.00 0.00 175.30 174.84 1j4r s ALA 72 N 0.63 -0.15 -0.29 6.12 0.00 0.44 0.26 121.76 128.76 1j4r s ALA 72 Ca -0.15 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1j4r s ALA 72 Cb -0.16 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1j4r s ALA 72 CO 0.04 -0.46 0.14 0.21 0.00 0.00 0.00 175.76 175.69 1j4r s LYS 73 N -3.58 3.50 -0.29 0.00 2.20 0.14 -0.46 119.74 121.25 1j4r s LYS 73 Ca 0.03 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.94 1j4r s LYS 73 Cb 0.04 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1j4r s LYS 73 CO -0.09 -0.33 0.15 -0.51 -0.36 0.00 0.00 175.35 174.21 1j4r s LEU 74 N 1.64 3.95 -0.30 5.43 1.02 0.51 -1.33 118.68 129.59 1j4r s LEU 74 Ca 0.05 -0.29 -0.07 0.00 0.02 0.00 0.00 54.13 53.84 1j4r s LEU 74 Cb -0.16 -2.03 0.01 0.00 0.02 0.00 0.00 46.19 44.03 1j4r s LEU 74 CO 0.06 -0.12 0.09 -0.89 0.02 0.00 0.00 176.35 175.52 1j4r s THR 75 N 1.67 4.06 -0.23 5.49 2.01 0.81 -0.64 115.64 128.80 1j4r s THR 75 Ca 0.06 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1j4r s THR 75 Cb -0.16 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1j4r s THR 75 CO 0.07 0.06 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.36 1j4r s ILE 76 N 1.51 2.90 0.71 1.82 1.01 0.54 0.01 121.20 129.71 1j4r s ILE 76 Ca 0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1j4r s ILE 76 Cb -0.17 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.93 1j4r s ILE 76 CO 0.03 0.31 1.18 -0.94 0.00 0.00 0.00 174.94 175.52 1j4r s SER 77 N 1.36 4.44 0.35 3.58 1.04 -0.49 -0.68 113.70 123.30 1j4r s SER 77 Ca 0.02 2.26 0.08 0.00 0.48 0.00 0.00 55.95 58.79 1j4r s SER 77 Cb -0.15 -2.58 0.80 0.00 0.10 0.00 0.00 66.02 64.18 1j4r s SER 77 CO -0.05 -2.09 1.85 -0.65 0.98 0.00 0.00 173.24 173.28 1j4r h PRO 78 N -0.21 0.70 0.00 4.02 0.11 -1.86 -1.18 132.00 133.57 1j4r h PRO 78 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j4r h PRO 78 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j4r h PRO 78 CO 0.51 0.46 0.00 0.38 -0.21 0.00 0.00 178.00 179.14 1j4r h ASP 79 N 0.72 0.00 -0.43 -2.05 2.03 -1.90 0.26 116.42 115.04 1j4r h ASP 79 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 1j4r h ASP 79 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 1j4r h ASP 79 CO -0.23 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.76 1j4r n TYR 80 N -2.92 0.57 0.00 4.15 4.02 -0.46 -4.85 117.16 117.67 1j4r n TYR 80 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1j4r n TYR 80 Cb 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1j4r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j4r n ALA 81 N 0.96 0.00 0.02 -0.72 0.00 -0.04 -1.44 120.51 119.30 1j4r n ALA 81 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1j4r n ALA 81 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 1j4r n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j4r n TYR 82 N 0.00 0.17 -2.55 0.00 4.01 -0.98 -4.83 117.16 112.98 1j4r n TYR 82 Ca 0.00 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1j4r n TYR 82 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1j4r n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j4r n GLY 83 N 0.15 1.15 0.29 2.72 0.00 0.70 -0.39 105.19 109.82 1j4r n GLY 83 Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1j4r n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4r h ALA 84 N -0.51 1.33 -0.17 4.61 0.00 -1.93 0.35 119.26 122.94 1j4r h ALA 84 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1j4r h ALA 84 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1j4r h ALA 84 CO 0.00 0.47 -0.70 1.15 0.00 0.00 0.00 179.25 180.17 1j4r h THR 85 N 0.65 1.30 -0.37 0.00 2.02 -1.92 -3.34 112.91 111.25 1j4r h THR 85 Ca 0.14 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.39 1j4r h THR 85 Cb 0.27 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1j4r h THR 85 CO 0.00 0.61 0.00 0.61 0.37 0.00 0.00 175.52 177.11 1j4r n GLY 86 N 0.56 0.13 2.49 2.16 0.00 0.48 -4.38 105.19 106.62 1j4r n GLY 86 Ca -0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1j4r n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j4r s HIS 87 N 0.00 0.86 -0.46 1.61 5.04 0.69 -4.90 115.29 118.12 1j4r s HIS 87 Ca 0.00 -1.73 -0.45 0.00 -1.54 0.00 0.00 55.06 51.35 1j4r s HIS 87 Cb 0.00 -1.01 -0.19 0.00 0.04 0.00 0.00 32.58 31.42 1j4r s HIS 87 CO 0.00 -0.82 1.77 -2.30 -2.34 0.00 0.00 174.74 171.05 1j4r n PRO 88 N 3.95 0.22 0.00 2.88 -0.02 -1.24 -1.08 135.00 139.71 1j4r n PRO 88 Ca 0.12 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1j4r n PRO 88 Cb 0.37 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1j4r n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4r n GLY 89 N 4.95 1.81 0.82 -1.23 0.00 -1.26 -4.86 105.19 105.42 1j4r n GLY 89 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1j4r n GLY 89 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j4r n ILE 90 N -0.77 0.00 -4.71 -0.61 3.06 -0.24 -5.10 119.36 110.99 1j4r n ILE 90 Ca 0.00 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.94 1j4r n ILE 90 Cb 0.00 -0.15 -0.17 0.00 0.54 0.00 0.00 39.64 39.86 1j4r n ILE 90 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1j4r s ILE 91 N -1.41 1.90 0.78 9.51 -1.09 -0.36 -4.89 121.20 125.64 1j4r s ILE 91 Ca 0.00 -0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1j4r s ILE 91 Cb 0.00 -1.69 0.06 0.00 -1.58 0.00 0.00 42.46 39.25 1j4r s ILE 91 CO 0.00 0.52 1.12 -2.16 -1.23 0.00 0.00 174.94 173.19 1j4r s PRO 92 N 0.77 2.24 0.63 2.79 0.04 -1.26 -0.23 135.00 139.99 1j4r s PRO 92 Ca -0.09 0.41 -0.19 0.00 0.04 0.00 0.00 61.00 61.17 1j4r s PRO 92 Cb -0.16 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1j4r s PRO 92 CO 0.00 -1.46 1.30 -2.30 0.04 0.00 0.00 177.00 174.58 1j4r n PRO 93 N -3.28 1.19 -3.87 0.56 -0.02 -1.26 -3.69 135.00 124.63 1j4r n PRO 93 Ca 0.07 0.46 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 1j4r n PRO 93 Cb 0.58 -2.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1j4r n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1j4r n HIS 94 N -1.79 -2.13 -3.74 6.00 8.25 0.11 -4.94 115.22 116.97 1j4r n HIS 94 Ca 0.15 0.87 -0.35 0.00 -0.26 0.00 0.00 57.72 58.13 1j4r n HIS 94 Cb 0.48 -4.04 -0.08 0.00 1.12 0.00 0.00 29.99 27.46 1j4r n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j4r s ALA 95 N -3.45 3.66 -0.11 -1.41 0.00 -1.24 -4.81 121.76 114.40 1j4r s ALA 95 Ca 0.44 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1j4r s ALA 95 Cb -0.22 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1j4r s ALA 95 CO 0.83 0.12 0.83 0.99 0.00 0.00 0.00 175.76 178.53 1j4r s THR 96 N 0.44 4.92 0.01 0.00 2.01 -1.26 -3.29 115.64 118.47 1j4r s THR 96 Ca 0.08 1.67 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1j4r s THR 96 Cb -0.11 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1j4r s THR 96 CO -0.01 0.10 0.02 -0.76 -0.69 0.00 0.00 174.62 173.28 1j4r s LEU 97 N 1.62 3.61 -0.16 4.42 1.43 0.15 -2.92 118.68 126.83 1j4r s LEU 97 Ca 0.41 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1j4r s LEU 97 Cb -0.18 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1j4r s LEU 97 CO 0.16 0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 176.18 1j4r s VAL 98 N -1.14 1.64 -0.16 -1.59 1.01 0.57 -0.34 120.40 120.40 1j4r s VAL 98 Ca 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1j4r s VAL 98 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1j4r s VAL 98 CO 0.12 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.15 1j4r s PHE 99 N 1.46 2.79 -0.48 5.22 0.40 0.18 -0.05 117.98 127.50 1j4r s PHE 99 Ca 0.04 -1.10 -0.20 0.00 -0.60 0.00 0.00 56.93 55.07 1j4r s PHE 99 Cb -0.13 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.53 1j4r s PHE 99 CO -0.11 -0.52 0.67 0.34 0.70 0.00 0.00 175.22 176.31 1j4r s ASP 100 N 0.91 6.29 -0.07 1.36 -1.08 -0.17 -0.36 116.67 123.54 1j4r s ASP 100 Ca -0.04 -0.56 0.04 0.00 -0.52 0.00 0.00 52.55 51.48 1j4r s ASP 100 Cb -0.15 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1j4r s ASP 100 CO -0.02 -0.87 -0.20 -0.69 0.52 0.00 0.00 175.17 173.91 1j4r s VAL 101 N 2.88 2.47 -0.15 1.11 1.01 0.39 -2.05 120.40 126.05 1j4r s VAL 101 Ca 0.21 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1j4r s VAL 101 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1j4r s VAL 101 CO 0.16 0.57 -0.19 -0.70 0.00 0.00 0.00 175.10 174.94 1j4r s GLU 102 N -0.23 3.08 -0.77 2.72 2.12 -0.47 -0.42 118.70 124.73 1j4r s GLU 102 Ca -0.01 -0.81 -0.22 0.00 0.36 0.00 0.00 54.97 54.29 1j4r s GLU 102 Cb -0.13 -2.53 0.08 0.00 0.26 0.00 0.00 34.13 31.81 1j4r s GLU 102 CO 0.03 -0.05 1.07 -1.17 -0.54 0.00 0.00 175.26 174.60 1j4r s LEU 103 N 0.93 4.44 0.01 2.70 2.96 0.22 -2.35 118.68 127.59 1j4r s LEU 103 Ca -0.04 -1.29 -0.25 0.00 -0.22 0.00 0.00 54.13 52.33 1j4r s LEU 103 Cb -0.15 -2.43 -0.16 0.00 0.50 0.00 0.00 46.19 43.95 1j4r s LEU 103 CO -0.04 -1.36 1.21 -0.07 -1.32 0.00 0.00 176.35 174.78 1j4r h LEU 104 N 11.30 -0.38 -7.79 -0.68 3.38 -1.54 1.02 115.31 120.61 1j4r h LEU 104 Ca -0.12 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.78 1j4r h LEU 104 Cb 1.05 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1j4r h LEU 104 CO 1.19 -0.02 0.30 -1.59 0.09 0.00 0.00 178.44 178.41 1j4r s LYS 105 N -4.64 1.57 -0.02 1.13 -2.85 -1.14 -4.30 119.74 109.49 1j4r s LYS 105 Ca -0.14 -0.84 0.08 0.00 -1.00 0.00 0.00 55.97 54.07 1j4r s LYS 105 Cb 0.02 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.32 1j4r s LYS 105 CO 0.53 -0.72 -0.25 -0.51 0.10 0.00 0.00 175.35 174.51 1j4r s LEU 106 N -2.89 2.14 0.00 2.77 1.43 -1.26 -1.40 118.68 119.47 1j4r s LEU 106 Ca 0.10 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1j4r s LEU 106 Cb -0.04 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1j4r s LEU 106 CO 0.03 0.32 0.00 -1.84 0.23 0.00 0.00 176.35 175.09