#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4i s VAL 2 N 0.00 0.35 -0.06 1.61 0.11 -1.26 -1.24 120.40 119.91 1j4i s VAL 2 Ca 0.00 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1j4i s VAL 2 Cb 0.00 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1j4i s VAL 2 CO 0.00 0.17 -0.09 -1.10 -3.33 0.00 0.00 175.10 170.75 1j4i s GLN 3 N 0.77 2.68 -0.08 1.54 -1.52 -0.40 -4.96 119.66 117.69 1j4i s GLN 3 Ca -0.09 -0.60 0.04 0.00 -1.95 0.00 0.00 55.36 52.76 1j4i s GLN 3 Cb -0.12 -2.52 -0.01 0.00 -0.22 0.00 0.00 33.01 30.13 1j4i s GLN 3 CO -0.01 0.64 -0.19 0.08 -0.25 0.00 0.00 175.29 175.56 1j4i s VAL 4 N -0.76 2.56 -0.05 1.09 1.01 -1.26 -0.94 120.40 122.06 1j4i s VAL 4 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1j4i s VAL 4 Cb -0.11 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1j4i s VAL 4 CO 0.01 0.56 -0.02 -0.70 0.00 0.00 0.00 175.10 174.95 1j4i s GLU 5 N -0.08 0.64 0.17 2.72 2.12 -0.23 -4.97 118.70 119.07 1j4i s GLU 5 Ca -0.04 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1j4i s GLU 5 Cb -0.14 -0.78 -0.07 0.00 0.26 0.00 0.00 34.13 33.39 1j4i s GLU 5 CO 0.04 -0.15 1.15 0.99 -0.54 0.00 0.00 175.26 176.75 1j4i s THR 6 N 1.19 3.78 -0.24 -1.70 2.01 -1.26 -0.06 115.64 119.36 1j4i s THR 6 Ca -0.07 1.49 -0.17 0.00 0.31 0.00 0.00 61.69 63.25 1j4i s THR 6 Cb -0.14 -3.95 -0.13 0.00 0.01 0.00 0.00 72.50 68.29 1j4i s THR 6 CO -0.02 0.23 -0.15 -0.38 -0.69 0.00 0.00 174.62 173.62 1j4i n ILE 7 N 2.60 1.52 -4.15 1.82 5.41 0.13 -4.88 119.36 121.82 1j4i n ILE 7 Ca 0.04 -0.18 -0.23 0.00 1.00 0.00 0.00 62.75 63.38 1j4i n ILE 7 Cb 0.46 -2.01 -0.17 0.00 -0.71 0.00 0.00 39.64 37.21 1j4i n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1j4i s SER 8 N -7.04 1.51 0.64 4.38 0.01 -0.55 -4.99 113.70 107.65 1j4i s SER 8 Ca -0.33 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 1j4i s SER 8 Cb 0.10 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.70 1j4i s SER 8 CO 0.50 -0.07 1.19 -2.16 0.41 0.00 0.00 173.24 173.11 1j4i s PRO 9 N 1.19 2.71 0.00 12.44 0.04 -1.26 -1.34 135.00 148.78 1j4i s PRO 9 Ca -0.06 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1j4i s PRO 9 Cb -0.14 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1j4i s PRO 9 CO -0.02 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1j4i n GLY 10 N 0.28 1.54 0.01 0.56 0.00 -1.26 -4.34 105.19 101.97 1j4i n GLY 10 Ca 0.13 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.21 1j4i n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4i n ASP 11 N -1.55 0.03 -0.50 1.61 3.85 0.45 -4.83 116.55 115.61 1j4i n ASP 11 Ca 0.00 0.51 -0.07 0.00 -0.71 0.00 0.00 54.79 54.52 1j4i n ASP 11 Cb 0.00 -0.51 -0.03 0.00 -1.35 0.00 0.00 41.12 39.23 1j4i n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j4i n GLY 12 N 0.29 0.79 0.00 6.12 0.00 -1.26 -4.76 105.19 106.38 1j4i n GLY 12 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1j4i n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j4i n ARG 13 N -1.64 1.52 -3.28 1.61 1.85 -1.26 -5.01 116.66 110.45 1j4i n ARG 13 Ca -0.07 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.33 1j4i n ARG 13 Cb 0.36 -0.48 -0.05 0.00 -1.05 0.00 0.00 32.46 31.24 1j4i n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1j4i s THR 14 N -0.74 5.19 0.06 8.89 2.01 -1.26 -5.03 115.64 124.76 1j4i s THR 14 Ca 0.00 -1.53 0.03 0.00 0.31 0.00 0.00 61.69 60.50 1j4i s THR 14 Cb 0.00 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1j4i s THR 14 CO 0.00 -0.93 0.04 -0.36 -0.69 0.00 0.00 174.62 172.68 1j4i s PHE 15 N 1.62 3.11 0.34 4.92 0.08 -1.26 -1.39 117.98 125.40 1j4i s PHE 15 Ca 0.06 0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.88 1j4i s PHE 15 Cb -0.27 -1.61 -0.10 0.00 -0.57 0.00 0.00 43.02 40.47 1j4i s PHE 15 CO 0.02 0.50 1.34 -1.25 -0.10 0.00 0.00 175.22 175.73 1j4i s PRO 16 N -2.16 4.31 0.39 0.24 0.04 -1.26 -5.02 135.00 131.53 1j4i s PRO 16 Ca 0.26 2.28 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 1j4i s PRO 16 Cb -0.12 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 1j4i s PRO 16 CO 0.18 -0.26 0.73 0.15 0.04 0.00 0.00 177.00 177.84 1j4i s LYS 17 N -1.79 3.74 0.23 4.56 1.02 -1.26 -4.99 119.74 121.25 1j4i s LYS 17 Ca 0.50 0.36 -0.31 0.00 0.02 0.00 0.00 55.97 56.54 1j4i s LYS 17 Cb -0.41 -2.44 -0.13 0.00 -0.52 0.00 0.00 37.83 34.33 1j4i s LYS 17 CO 0.54 0.00 1.47 -2.13 -0.92 0.00 0.00 175.35 174.31 1j4i n ARG 18 N -1.28 2.16 0.00 1.68 0.63 -1.26 -1.31 116.66 117.28 1j4i n ARG 18 Ca 0.01 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1j4i n ARG 18 Cb 0.54 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1j4i n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j4i n GLY 19 N 2.39 2.66 3.77 5.14 0.00 0.13 -4.95 105.19 114.33 1j4i n GLY 19 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1j4i n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j4i s GLN 20 N -0.12 3.95 -0.14 1.61 0.74 -0.42 -4.31 119.66 120.97 1j4i s GLN 20 Ca 0.00 1.78 -0.29 0.00 0.05 0.00 0.00 55.36 56.90 1j4i s GLN 20 Cb 0.00 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 1j4i s GLN 20 CO 0.00 -0.39 1.01 0.99 -0.55 0.00 0.00 175.29 176.35 1j4i s THR 21 N -1.49 4.76 -0.21 -0.34 2.01 -1.09 -1.60 115.64 117.68 1j4i s THR 21 Ca 0.60 2.03 -0.09 0.00 0.31 0.00 0.00 61.69 64.55 1j4i s THR 21 Cb -0.29 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1j4i s THR 21 CO 0.36 -0.04 0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1j4i s VAL 23 N 0.67 4.02 0.09 0.00 1.01 -0.50 -1.88 120.40 123.81 1j4i s VAL 23 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1j4i s VAL 23 Cb -0.13 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1j4i s VAL 23 CO 0.01 0.42 -0.02 0.68 0.00 0.00 0.00 175.10 176.19 1j4i s VAL 24 N 1.09 0.34 -0.06 2.92 -7.23 0.21 -0.43 120.40 117.24 1j4i s VAL 24 Ca 0.03 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1j4i s VAL 24 Cb -0.14 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1j4i s VAL 24 CO 0.02 -0.82 -0.23 -1.00 -0.31 0.00 0.00 175.10 172.75 1j4i s HIS 25 N -3.86 2.48 0.07 2.82 3.76 -0.93 -0.89 115.29 118.74 1j4i s HIS 25 Ca 0.13 -0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 54.33 1j4i s HIS 25 Cb 0.07 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.14 1j4i s HIS 25 CO -0.05 -0.16 0.14 1.52 -0.85 0.00 0.00 174.74 175.34 1j4i s TYR 26 N -0.23 0.21 -0.07 1.40 -0.85 -1.26 -1.02 117.35 115.53 1j4i s TYR 26 Ca -0.01 -0.64 -0.00 0.00 -0.52 0.00 0.00 57.07 55.90 1j4i s TYR 26 Cb -0.13 -0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.11 1j4i s TYR 26 CO 0.03 -0.49 -0.03 0.99 -1.52 0.00 0.00 175.55 174.53 1j4i s THR 27 N -3.63 0.59 -0.15 -3.49 2.01 -0.54 -1.54 115.64 108.89 1j4i s THR 27 Ca 0.03 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 1j4i s THR 27 Cb 0.04 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1j4i s THR 27 CO -0.10 0.28 0.10 -0.83 -0.69 0.00 0.00 174.62 173.38 1j4i s GLY 28 N 1.53 2.02 0.14 4.40 0.00 -0.13 -1.32 107.32 113.95 1j4i s GLY 28 Ca -0.01 -0.70 0.08 0.00 0.00 0.00 0.00 44.72 44.09 1j4i s GLY 28 CO -0.04 -0.14 -0.17 1.06 0.00 0.00 0.00 173.10 173.80 1j4i s MET 29 N -0.25 1.19 0.91 2.90 -1.94 0.15 -0.36 119.30 121.89 1j4i s MET 29 Ca 0.10 -1.33 -0.13 0.00 -1.71 0.00 0.00 55.69 52.62 1j4i s MET 29 Cb -0.12 -1.22 0.18 0.00 2.01 0.00 0.00 34.83 35.68 1j4i s MET 29 CO 0.01 0.25 1.25 -0.51 -0.01 0.00 0.00 175.02 176.01 1j4i s LEU 30 N -2.50 2.76 0.63 -0.03 1.43 -0.83 -1.70 118.68 118.44 1j4i s LEU 30 Ca 0.13 0.16 0.40 0.00 -1.03 0.00 0.00 54.13 53.79 1j4i s LEU 30 Cb -0.06 -2.28 2.13 0.00 0.03 0.00 0.00 46.19 46.01 1j4i s LEU 30 CO 0.05 -2.53 2.28 -0.08 0.23 0.00 0.00 176.35 176.30 1j4i h GLU 31 N -1.40 0.00 0.00 1.70 4.81 -1.90 -0.52 114.58 117.27 1j4i h GLU 31 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1j4i h GLU 31 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1j4i h GLU 31 CO 0.39 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.28 1j4i n ASP 32 N -3.20 0.00 0.00 1.04 3.85 -1.26 -4.87 116.55 112.11 1j4i n ASP 32 Ca -0.02 -0.76 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 1j4i n ASP 32 Cb 0.12 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1j4i n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j4i n GLY 33 N 0.85 0.81 3.69 6.12 0.00 -0.20 -5.03 105.19 111.41 1j4i n GLY 33 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1j4i n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j4i s LYS 34 N -0.27 4.36 0.29 1.61 2.20 -1.26 -4.79 119.74 121.88 1j4i s LYS 34 Ca 0.00 1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1j4i s LYS 34 Cb 0.00 -3.53 -0.12 0.00 -1.51 0.00 0.00 37.83 32.67 1j4i s LYS 34 CO 0.00 -0.21 1.46 1.17 -0.36 0.00 0.00 175.35 177.41 1j4i n LYS 35 N 4.74 2.33 -0.01 4.03 4.81 -1.26 -1.97 118.16 130.83 1j4i n LYS 35 Ca 0.03 0.83 0.03 0.00 -0.87 0.00 0.00 58.31 58.33 1j4i n LYS 35 Cb 0.50 -2.52 -0.07 0.00 0.02 0.00 0.00 35.03 32.96 1j4i n LYS 35 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1j4i n PHE 36 N 1.61 0.00 -3.57 5.64 -1.74 0.52 -4.90 117.46 115.01 1j4i n PHE 36 Ca 0.09 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.85 1j4i n PHE 36 Cb 0.35 -0.25 -0.06 0.00 1.52 0.00 0.00 39.48 41.04 1j4i n PHE 36 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1j4i s ASP 37 N -3.24 -0.49 -0.19 5.98 2.15 -1.22 -5.03 116.67 114.62 1j4i s ASP 37 Ca -0.04 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.46 1j4i s ASP 37 Cb 0.05 0.53 0.06 0.00 -0.30 0.00 0.00 42.92 43.27 1j4i s ASP 37 CO 0.38 -0.39 0.48 -0.55 -0.17 0.00 0.00 175.17 174.92 1j4i s SER 38 N -0.85 -0.60 0.45 -0.34 0.15 -1.26 -0.96 113.70 110.29 1j4i s SER 38 Ca -0.04 1.03 0.23 0.00 0.70 0.00 0.00 55.95 57.87 1j4i s SER 38 Cb -0.01 0.93 1.02 0.00 -1.71 0.00 0.00 66.02 66.26 1j4i s SER 38 CO 0.03 -0.20 1.89 0.77 1.20 0.00 0.00 173.24 176.93 1j4i h SER 39 N 6.75 0.00 0.35 5.45 4.64 -1.59 -2.56 113.55 126.60 1j4i h SER 39 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1j4i h SER 39 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1j4i h SER 39 CO 0.25 0.24 -0.12 0.03 -0.87 0.00 0.00 176.83 176.36 1j4i h ARG 40 N 0.00 0.00 0.00 4.77 3.08 -1.83 -1.81 114.38 118.59 1j4i h ARG 40 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j4i h ARG 40 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1j4i h ARG 40 CO 0.03 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.80 1j4i n ASP 41 N -3.66 0.58 -0.44 7.04 10.43 -0.96 -2.31 116.55 127.23 1j4i n ASP 41 Ca -0.02 0.63 0.07 0.00 2.57 0.00 0.00 54.79 58.05 1j4i n ASP 41 Cb 0.23 -0.76 0.02 0.00 1.84 0.00 0.00 41.12 42.46 1j4i n ASP 41 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1j4i n ARG 42 N -2.13 1.55 -2.87 -1.24 1.74 -0.70 -5.00 116.66 108.01 1j4i n ARG 42 Ca 0.03 -1.01 -0.19 0.00 -0.77 0.00 0.00 57.85 55.91 1j4i n ARG 42 Cb 0.24 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1j4i n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1j4i n ASN 43 N 0.22 -4.62 -3.72 0.55 4.13 -0.98 -4.96 115.26 105.89 1j4i n ASN 43 Ca 0.07 -0.13 -0.13 0.00 1.68 0.00 0.00 54.58 56.07 1j4i n ASN 43 Cb 0.34 -3.82 -0.14 0.00 -1.54 0.00 0.00 39.78 34.62 1j4i n ASN 43 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1j4i s LYS 44 N -5.51 0.15 0.84 3.52 2.20 -1.23 -5.08 119.74 114.63 1j4i s LYS 44 Ca 0.20 0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 56.22 1j4i s LYS 44 Cb -0.10 -0.14 0.09 0.00 -1.51 0.00 0.00 37.83 36.17 1j4i s LYS 44 CO 0.25 -0.20 1.09 -2.14 -0.36 0.00 0.00 175.35 173.99 1j4i s PRO 45 N 1.52 1.75 -0.09 4.03 0.02 -1.26 -4.66 135.00 136.30 1j4i s PRO 45 Ca -0.06 0.89 -0.03 0.00 0.02 0.00 0.00 61.00 61.82 1j4i s PRO 45 Cb -0.11 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1j4i s PRO 45 CO -0.08 -1.92 0.02 0.12 -0.33 0.00 0.00 177.00 174.82 1j4i s PHE 46 N -2.97 3.23 0.02 6.54 2.19 -0.07 -4.92 117.98 122.00 1j4i s PHE 46 Ca 0.62 0.24 0.08 0.00 0.33 0.00 0.00 56.93 58.20 1j4i s PHE 46 Cb -0.17 -1.82 -0.02 0.00 -1.31 0.00 0.00 43.02 39.70 1j4i s PHE 46 CO 0.56 0.50 -0.24 0.15 1.83 0.00 0.00 175.22 178.03 1j4i s LYS 47 N -0.88 1.72 0.03 10.12 1.02 -1.26 -0.62 119.74 129.87 1j4i s LYS 47 Ca 0.13 -0.96 -0.18 0.00 0.02 0.00 0.00 55.97 54.99 1j4i s LYS 47 Cb -0.11 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1j4i s LYS 47 CO 0.03 0.47 0.39 -0.59 -0.92 0.00 0.00 175.35 174.73 1j4i s PHE 48 N -0.71 -0.25 -0.31 3.18 -0.12 -0.79 -4.98 117.98 114.01 1j4i s PHE 48 Ca 0.10 0.22 -0.16 0.00 -0.05 0.00 0.00 56.93 57.04 1j4i s PHE 48 Cb -0.09 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1j4i s PHE 48 CO 0.01 -0.54 0.42 -1.64 -0.05 0.00 0.00 175.22 173.41 1j4i s MET 49 N -2.31 3.77 -0.00 1.99 -1.94 -1.26 -0.29 119.30 119.25 1j4i s MET 49 Ca -0.06 -0.14 -0.35 0.00 -1.71 0.00 0.00 55.69 53.43 1j4i s MET 49 Cb -0.01 -3.74 -0.13 0.00 2.01 0.00 0.00 34.83 32.95 1j4i s MET 49 CO -0.01 -0.46 1.72 -0.11 -0.01 0.00 0.00 175.02 176.15 1j4i n LEU 50 N 5.48 3.10 0.00 -0.03 7.94 -0.63 -1.76 117.00 131.10 1j4i n LEU 50 Ca -0.07 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1j4i n LEU 50 Cb 0.50 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1j4i n LEU 50 CO 0.40 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 1j4i n GLY 51 N 3.90 1.36 0.30 -3.96 0.00 -1.26 0.21 105.19 105.75 1j4i n GLY 51 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1j4i n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j4i n LYS 52 N -2.00 1.39 -2.37 1.61 4.81 -0.72 -4.93 118.16 115.95 1j4i n LYS 52 Ca 0.00 -0.60 -0.20 0.00 -0.87 0.00 0.00 58.31 56.64 1j4i n LYS 52 Cb 0.00 -1.30 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 1j4i n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1j4i n GLN 53 N -0.15 -1.60 0.19 1.64 6.02 -1.26 -4.85 117.38 117.38 1j4i n GLN 53 Ca 0.13 0.97 0.10 0.00 -0.01 0.00 0.00 57.00 58.20 1j4i n GLN 53 Cb 0.19 -5.58 0.12 0.00 1.02 0.00 0.00 30.24 25.99 1j4i n GLN 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1j4i h GLU 54 N 0.00 0.00 -5.52 -1.09 5.08 -1.92 -3.46 114.58 107.68 1j4i h GLU 54 Ca -0.47 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.40 1j4i h GLU 54 Cb 1.35 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 1j4i h GLU 54 CO 0.56 0.07 -0.69 0.14 -1.00 0.00 0.00 179.01 178.10 1j4i s VAL 55 N -3.19 1.66 0.87 3.13 -7.23 -1.26 -5.11 120.40 109.27 1j4i s VAL 55 Ca 0.05 -2.14 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 1j4i s VAL 55 Cb 0.06 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.71 1j4i s VAL 55 CO 0.70 -0.36 0.90 2.30 -0.31 0.00 0.00 175.10 178.32 1j4i n ILE 56 N -0.54 0.89 -0.24 -0.62 -5.35 -1.26 -4.65 119.36 107.60 1j4i n ILE 56 Ca -0.06 -0.17 0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1j4i n ILE 56 Cb 0.63 -0.93 0.32 0.00 -1.74 0.00 0.00 39.64 37.91 1j4i n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1j4i h ARG 57 N -1.30 0.82 -0.97 6.28 2.43 -1.86 -0.84 114.38 118.94 1j4i h ARG 57 Ca -0.44 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.75 1j4i h ARG 57 Cb 1.29 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.59 1j4i h ARG 57 CO 0.41 0.54 0.63 0.78 -1.51 0.00 0.00 179.97 180.82 1j4i h GLY 58 N 0.85 1.48 1.02 2.80 0.00 -1.32 -1.08 103.07 106.80 1j4i h GLY 58 Ca 0.36 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 1j4i h GLY 58 CO -0.14 0.29 -0.67 1.49 0.00 0.00 0.00 176.54 177.52 1j4i h TRP 59 N 1.09 0.88 -0.89 5.60 4.06 -1.44 0.36 115.95 125.61 1j4i h TRP 59 Ca 0.43 -0.40 0.12 0.00 2.06 0.00 0.00 58.89 61.10 1j4i h TRP 59 Cb 0.24 -0.13 -0.08 0.00 -1.00 0.00 0.00 29.16 28.19 1j4i h TRP 59 CO -0.00 1.21 0.52 0.93 -3.56 0.00 0.00 178.44 177.54 1j4i h GLU 60 N 0.29 0.79 0.12 0.49 4.39 -0.87 -0.00 114.58 119.79 1j4i h GLU 60 Ca -0.05 -0.05 -0.33 0.00 0.34 0.00 0.00 59.36 59.26 1j4i h GLU 60 Cb 1.32 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1j4i h GLU 60 CO 0.14 0.52 -1.76 0.93 -1.16 0.00 0.00 179.01 177.68 1j4i h GLU 61 N 0.81 0.26 -0.08 2.33 5.08 -1.28 -3.30 114.58 118.40 1j4i h GLU 61 Ca 0.45 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1j4i h GLU 61 Cb 0.50 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1j4i h GLU 61 CO -0.29 1.12 0.01 0.78 -1.00 0.00 0.00 179.01 179.63 1j4i h GLY 62 N 1.47 0.15 2.00 -3.84 0.00 -0.67 -3.09 103.07 99.09 1j4i h GLY 62 Ca -0.33 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1j4i h GLY 62 CO 0.13 0.10 -0.27 -2.08 0.00 0.00 0.00 176.54 174.42 1j4i h VAL 63 N -0.12 0.74 -0.10 4.60 2.07 -1.21 -2.70 116.25 119.51 1j4i h VAL 63 Ca 0.02 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1j4i h VAL 63 Cb 0.32 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1j4i h VAL 63 CO 0.00 0.27 0.08 0.00 0.02 0.00 0.00 177.57 177.94 1j4i h ALA 64 N 1.73 1.95 -0.00 1.67 0.00 -1.62 -1.47 119.26 121.52 1j4i h ALA 64 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j4i h ALA 64 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j4i h ALA 64 CO 0.04 -0.14 -0.31 1.04 0.00 0.00 0.00 179.25 179.88 1j4i n GLN 65 N -4.28 0.02 -3.18 0.00 6.02 -1.02 -4.55 117.38 110.39 1j4i n GLN 65 Ca -0.00 -0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.71 1j4i n GLN 65 Cb 0.20 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 1j4i n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j4i s MET 66 N -2.99 3.55 0.29 -1.09 -1.94 -0.56 -5.08 119.30 111.49 1j4i s MET 66 Ca 0.13 -0.08 0.11 0.00 -1.71 0.00 0.00 55.69 54.13 1j4i s MET 66 Cb 0.18 -2.59 -0.05 0.00 2.01 0.00 0.00 34.83 34.38 1j4i s MET 66 CO 0.63 0.09 -0.15 -1.54 -0.01 0.00 0.00 175.02 174.04 1j4i s SER 67 N -3.75 3.76 0.24 3.03 1.04 -1.26 -4.22 113.70 112.55 1j4i s SER 67 Ca 0.43 -1.00 -0.31 0.00 0.48 0.00 0.00 55.95 55.55 1j4i s SER 67 Cb -0.10 -0.39 -0.13 0.00 0.10 0.00 0.00 66.02 65.50 1j4i s SER 67 CO 0.36 -0.01 1.48 0.52 0.98 0.00 0.00 173.24 176.57 1j4i n VAL 68 N -0.70 0.82 -0.23 5.02 0.31 -0.48 -1.17 118.33 121.89 1j4i n VAL 68 Ca -0.05 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1j4i n VAL 68 Cb 0.60 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1j4i n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4i n GLY 69 N 2.37 1.19 3.82 2.92 0.00 0.45 -0.41 105.19 115.53 1j4i n GLY 69 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1j4i n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j4i s GLN 70 N -0.48 4.21 -0.07 1.61 0.74 -0.32 -4.16 119.66 121.19 1j4i s GLN 70 Ca 0.00 0.85 0.02 0.00 0.05 0.00 0.00 55.36 56.28 1j4i s GLN 70 Cb 0.00 -2.76 0.02 0.00 1.10 0.00 0.00 33.01 31.36 1j4i s GLN 70 CO 0.00 0.33 -0.12 0.50 -0.55 0.00 0.00 175.29 175.45 1j4i s ARG 71 N -2.22 1.69 0.09 1.67 3.52 -0.45 -0.66 118.95 122.58 1j4i s ARG 71 Ca 0.46 -0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.59 1j4i s ARG 71 Cb -0.15 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.78 1j4i s ARG 71 CO 0.20 -0.03 0.16 0.00 -0.81 0.00 0.00 175.30 174.83 1j4i s ALA 72 N 0.85 -0.13 -0.20 6.12 0.00 0.22 0.18 121.76 128.80 1j4i s ALA 72 Ca -0.11 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 1j4i s ALA 72 Cb -0.15 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1j4i s ALA 72 CO 0.02 -0.49 0.25 0.21 0.00 0.00 0.00 175.76 175.74 1j4i s LYS 73 N -3.87 4.17 -0.21 0.00 2.20 0.91 -0.30 119.74 122.65 1j4i s LYS 73 Ca 0.05 -0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 55.60 1j4i s LYS 73 Cb 0.05 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1j4i s LYS 73 CO -0.11 0.13 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.43 1j4i s LEU 74 N 0.82 2.79 -0.21 5.43 1.02 0.65 -1.06 118.68 128.11 1j4i s LEU 74 Ca 0.13 -0.42 -0.05 0.00 0.02 0.00 0.00 54.13 53.82 1j4i s LEU 74 Cb -0.13 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 1j4i s LEU 74 CO 0.04 0.00 -0.01 -0.89 0.02 0.00 0.00 176.35 175.51 1j4i s THR 75 N 1.34 3.75 -0.11 5.49 2.01 -0.11 -1.20 115.64 126.81 1j4i s THR 75 Ca 0.04 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1j4i s THR 75 Cb -0.14 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.68 1j4i s THR 75 CO -0.04 0.42 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.52 1j4i s ILE 76 N 1.18 1.57 0.71 1.82 1.01 0.70 -1.27 121.20 126.91 1j4i s ILE 76 Ca 0.03 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 1j4i s ILE 76 Cb -0.14 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.93 1j4i s ILE 76 CO 0.01 0.45 1.10 -0.94 0.00 0.00 0.00 174.94 175.56 1j4i s SER 77 N 0.89 4.79 0.36 3.58 1.04 -0.38 -1.17 113.70 122.81 1j4i s SER 77 Ca -0.08 1.93 0.09 0.00 0.48 0.00 0.00 55.95 58.36 1j4i s SER 77 Cb -0.15 -2.54 0.81 0.00 0.10 0.00 0.00 66.02 64.24 1j4i s SER 77 CO -0.00 -1.85 1.89 -0.65 0.98 0.00 0.00 173.24 173.62 1j4i h PRO 78 N -0.52 0.67 0.00 4.02 0.11 -1.89 -0.81 132.00 133.58 1j4i h PRO 78 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1j4i h PRO 78 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j4i h PRO 78 CO 0.53 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 1j4i n ASP 79 N -4.53 0.55 -1.31 -2.05 5.75 -1.26 0.08 116.55 113.78 1j4i n ASP 79 Ca 0.15 0.62 0.11 0.00 -0.01 0.00 0.00 54.79 55.67 1j4i n ASP 79 Cb 0.41 -0.74 0.31 0.00 -1.03 0.00 0.00 41.12 40.07 1j4i n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1j4i n TYR 80 N -2.09 0.97 0.00 2.11 4.02 -0.32 -4.83 117.16 117.01 1j4i n TYR 80 Ca 0.03 -0.51 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 1j4i n TYR 80 Cb 0.25 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1j4i n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j4i n ALA 81 N 1.51 0.00 -0.14 -0.72 0.00 -0.08 -0.82 120.51 120.26 1j4i n ALA 81 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1j4i n ALA 81 Cb 0.62 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.29 1j4i n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j4i n TYR 82 N 0.00 0.61 -2.23 0.00 4.02 -0.96 -4.84 117.16 113.77 1j4i n TYR 82 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1j4i n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 1j4i n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j4i n GLY 83 N 1.03 1.36 0.25 2.72 0.00 0.11 -0.79 105.19 109.87 1j4i n GLY 83 Ca 0.17 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1j4i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4i h ALA 84 N -0.45 1.25 0.08 4.61 0.00 -1.94 -0.62 119.26 122.19 1j4i h ALA 84 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1j4i h ALA 84 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j4i h ALA 84 CO 0.00 0.21 -1.27 1.15 0.00 0.00 0.00 179.25 179.35 1j4i h THR 85 N 0.00 1.44 -0.80 0.00 2.02 -1.90 -3.37 112.91 110.31 1j4i h THR 85 Ca -0.00 -3.09 0.00 0.00 0.77 0.00 0.00 66.41 64.09 1j4i h THR 85 Cb 0.45 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1j4i h THR 85 CO 0.02 0.87 0.00 0.61 0.37 0.00 0.00 175.52 177.40 1j4i n GLY 86 N 1.51 -0.74 2.91 2.16 0.00 0.03 -4.39 105.19 106.67 1j4i n GLY 86 Ca -0.08 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1j4i n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j4i s HIS 87 N 0.00 2.16 -0.02 1.61 5.04 0.15 -4.90 115.29 119.34 1j4i s HIS 87 Ca 0.00 -1.59 -0.40 0.00 -1.54 0.00 0.00 55.06 51.54 1j4i s HIS 87 Cb 0.00 -1.49 -0.19 0.00 0.04 0.00 0.00 32.58 30.94 1j4i s HIS 87 CO 0.00 -0.74 1.16 -2.30 -2.34 0.00 0.00 174.74 170.51 1j4i n PRO 88 N 4.74 0.20 -0.60 2.88 -0.02 -1.26 -1.58 135.00 139.36 1j4i n PRO 88 Ca -0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1j4i n PRO 88 Cb 0.45 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1j4i n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4i n GLY 89 N 1.86 1.22 0.00 -1.23 0.00 -1.26 -4.75 105.19 101.03 1j4i n GLY 89 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1j4i n GLY 89 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1j4i n ILE 90 N -2.00 0.00 -4.01 -0.61 -6.64 -0.91 -5.09 119.36 100.10 1j4i n ILE 90 Ca 0.00 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.68 1j4i n ILE 90 Cb 0.00 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.04 1j4i n ILE 90 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1j4i s ILE 91 N -1.00 1.60 0.88 7.28 1.01 -0.61 -4.96 121.20 125.41 1j4i s ILE 91 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1j4i s ILE 91 Cb 0.00 -1.57 0.12 0.00 0.01 0.00 0.00 42.46 41.02 1j4i s ILE 91 CO 0.00 0.35 1.09 -2.84 0.00 0.00 0.00 174.94 173.54 1j4i s PRO 92 N 1.45 1.40 0.77 2.79 0.02 -1.26 -0.67 135.00 139.50 1j4i s PRO 92 Ca 0.03 0.88 -0.14 0.00 0.02 0.00 0.00 61.00 61.78 1j4i s PRO 92 Cb -0.14 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.62 1j4i s PRO 92 CO -0.10 -2.16 1.20 -2.30 -0.33 0.00 0.00 177.00 173.31 1j4i n PRO 93 N -3.84 0.38 -3.04 5.54 -0.02 -1.26 -3.37 135.00 129.40 1j4i n PRO 93 Ca 0.07 0.20 -0.21 0.00 -2.02 0.00 0.00 63.50 61.55 1j4i n PRO 93 Cb 0.55 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1j4i n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1j4i n HIS 94 N -2.98 -1.73 -3.20 6.00 8.25 -0.25 -4.91 115.22 116.39 1j4i n HIS 94 Ca 0.14 0.37 -0.39 0.00 -0.26 0.00 0.00 57.72 57.58 1j4i n HIS 94 Cb 0.50 -3.40 -0.06 0.00 1.12 0.00 0.00 29.99 28.15 1j4i n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j4i s ALA 95 N -2.94 3.45 0.01 -1.41 0.00 -1.22 -4.84 121.76 114.81 1j4i s ALA 95 Ca 0.27 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.88 1j4i s ALA 95 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1j4i s ALA 95 CO 0.34 -0.15 0.67 0.99 0.00 0.00 0.00 175.76 177.60 1j4i s THR 96 N 0.96 4.85 0.07 0.00 2.01 -1.26 -3.68 115.64 118.59 1j4i s THR 96 Ca 0.30 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.77 1j4i s THR 96 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1j4i s THR 96 CO 0.12 0.39 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.53 1j4i s LEU 97 N -0.07 2.77 -0.12 4.42 1.43 -0.32 -3.25 118.68 123.55 1j4i s LEU 97 Ca 0.34 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1j4i s LEU 97 Cb -0.19 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1j4i s LEU 97 CO 0.19 0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 176.18 1j4i s VAL 98 N -1.05 1.39 0.03 -1.59 1.01 -0.69 -0.22 120.40 119.28 1j4i s VAL 98 Ca 0.17 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1j4i s VAL 98 Cb -0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1j4i s VAL 98 CO 0.08 0.43 -0.21 -0.36 0.00 0.00 0.00 175.10 175.04 1j4i s PHE 99 N 1.31 2.49 -0.36 5.22 0.40 -0.34 0.30 117.98 127.00 1j4i s PHE 99 Ca -0.00 -0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 1j4i s PHE 99 Cb -0.14 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.95 1j4i s PHE 99 CO -0.06 0.19 0.18 0.34 0.70 0.00 0.00 175.22 176.57 1j4i s ASP 100 N -1.24 5.64 -0.05 1.36 -1.08 -0.44 -0.26 116.67 120.61 1j4i s ASP 100 Ca 0.13 -0.90 0.06 0.00 -0.52 0.00 0.00 52.55 51.32 1j4i s ASP 100 Cb -0.10 -2.00 -0.01 0.00 -1.46 0.00 0.00 42.92 39.34 1j4i s ASP 100 CO 0.03 -0.33 -0.23 -0.69 0.52 0.00 0.00 175.17 174.46 1j4i s VAL 101 N 1.55 1.92 -0.20 1.11 1.01 0.59 -1.47 120.40 124.92 1j4i s VAL 101 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1j4i s VAL 101 Cb -0.19 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1j4i s VAL 101 CO 0.06 0.54 -0.17 -0.70 0.00 0.00 0.00 175.10 174.83 1j4i s GLU 102 N -0.12 2.85 -0.63 2.72 2.12 -0.19 -0.61 118.70 124.83 1j4i s GLU 102 Ca -0.04 -0.93 -0.27 0.00 0.36 0.00 0.00 54.97 54.08 1j4i s GLU 102 Cb -0.13 -2.66 0.03 0.00 0.26 0.00 0.00 34.13 31.63 1j4i s GLU 102 CO 0.03 -0.29 1.20 -1.17 -0.54 0.00 0.00 175.26 174.50 1j4i s LEU 103 N 1.26 3.41 0.04 2.70 2.96 0.16 -2.19 118.68 127.03 1j4i s LEU 103 Ca 0.02 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1j4i s LEU 103 Cb -0.15 -2.93 -0.24 0.00 0.50 0.00 0.00 46.19 43.37 1j4i s LEU 103 CO -0.11 -1.59 1.00 -0.07 -1.32 0.00 0.00 176.35 174.27 1j4i h LEU 104 N 12.23 0.16 -7.00 -0.68 3.38 -1.05 0.13 115.31 122.48 1j4i h LEU 104 Ca -0.26 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.60 1j4i h LEU 104 Cb 1.06 -0.05 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1j4i h LEU 104 CO 1.21 1.17 0.57 -0.75 0.09 0.00 0.00 178.44 180.74 1j4i s LYS 105 N -2.65 0.58 -0.13 1.13 2.20 -1.14 -4.58 119.74 115.15 1j4i s LYS 105 Ca -0.04 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1j4i s LYS 105 Cb 0.08 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1j4i s LYS 105 CO 0.84 -0.20 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.97 1j4i s LEU 106 N -1.32 2.56 0.00 5.43 1.02 -1.26 -1.41 118.68 123.70 1j4i s LEU 106 Ca 0.00 -0.40 0.15 0.00 0.02 0.00 0.00 54.13 53.90 1j4i s LEU 106 Cb -0.01 -1.57 0.12 0.00 0.02 0.00 0.00 46.19 44.76 1j4i s LEU 106 CO -0.00 0.14 0.98 -0.62 0.02 0.00 0.00 176.35 176.87