#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo s ASN 2 N 0.00 6.44 0.22 7.83 0.01 -1.26 -4.99 114.94 123.19 2jqo s ASN 2 Ca 0.00 2.87 -0.15 0.00 -0.71 0.00 0.00 52.86 54.87 2jqo s ASN 2 Cb 0.00 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 2jqo s ASN 2 CO 0.00 -0.88 0.63 -0.54 -1.51 0.00 0.00 177.10 174.80 2jqo s LYS 3 N -0.22 4.01 -0.14 -0.60 -0.14 -1.26 -5.07 119.74 116.32 2jqo s LYS 3 Ca 0.64 0.57 0.01 0.00 -1.36 0.00 0.00 55.97 55.83 2jqo s LYS 3 Cb -0.47 -2.76 -0.00 0.00 -1.68 0.00 0.00 37.83 32.92 2jqo s LYS 3 CO 0.45 0.36 -0.17 1.21 -0.76 0.00 0.00 175.35 176.43 2jqo s ASN 4 N -1.94 3.55 0.00 2.83 2.47 -1.26 -4.98 114.94 115.61 2jqo s ASN 4 Ca 0.44 -0.48 0.26 0.00 0.42 0.00 0.00 52.86 53.51 2jqo s ASN 4 Cb -0.14 -1.53 0.65 0.00 -1.45 0.00 0.00 41.25 38.79 2jqo s ASN 4 CO 0.20 0.11 1.51 -0.62 -3.72 0.00 0.00 177.10 174.58 2jqo n GLU 5 N 3.86 1.48 -4.06 0.43 1.02 -1.26 -4.89 120.64 117.23 2jqo n GLU 5 Ca -0.19 -1.01 -0.33 0.00 -0.02 0.00 0.00 57.16 55.61 2jqo n GLU 5 Cb 0.52 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 2jqo n GLU 5 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2jqo s GLN 6 N -2.21 3.13 -0.81 3.49 0.74 -1.26 -5.05 119.66 117.68 2jqo s GLN 6 Ca 0.29 -0.46 -0.16 0.00 0.05 0.00 0.00 55.36 55.08 2jqo s GLN 6 Cb 0.20 -2.90 0.17 0.00 1.10 0.00 0.00 33.01 31.58 2jqo s GLN 6 CO 0.42 0.65 0.84 1.21 -0.55 0.00 0.00 175.29 177.86 2jqo s ASN 7 N -1.80 6.62 0.00 6.67 2.47 -1.26 -4.54 114.94 123.10 2jqo s ASN 7 Ca 0.24 -2.29 0.00 0.00 0.42 0.00 0.00 52.86 51.23 2jqo s ASN 7 Cb -0.12 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2jqo s ASN 7 CO 0.15 -0.80 0.00 0.61 -3.72 0.00 0.00 177.10 173.34 2jqo n GLY 8 N 4.64 -1.26 0.27 1.21 0.00 -1.26 -5.03 105.19 103.77 2jqo n GLY 8 Ca 0.12 0.40 0.16 0.00 0.00 0.00 0.00 46.02 46.70 2jqo n GLY 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jqo h ASP 9 N 0.00 0.00 0.06 1.61 5.19 -1.95 -2.71 116.42 118.63 2jqo h ASP 9 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2jqo h ASP 9 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2jqo h ASP 9 CO 0.00 0.06 -0.14 -0.33 -3.12 0.00 0.00 179.24 175.71 2jqo h GLU 10 N 0.00 0.17 0.00 3.56 4.39 -1.98 -0.80 114.58 119.92 2jqo h GLU 10 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jqo h GLU 10 Cb 0.46 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jqo h GLU 10 CO 0.01 0.32 0.00 1.15 -1.16 0.00 0.00 179.01 179.33 2jqo h THR 11 N 0.16 0.00 -3.57 1.13 2.02 -1.91 -3.41 112.91 107.32 2jqo h THR 11 Ca 0.03 -0.60 -0.62 0.00 0.77 0.00 0.00 66.41 65.99 2jqo h THR 11 Cb 0.35 1.60 -0.12 0.00 -1.74 0.00 0.00 68.15 68.24 2jqo h THR 11 CO 0.02 0.00 0.33 -0.54 0.37 0.00 0.00 175.52 175.70 2jqo s LYS 12 N -3.58 3.60 -0.06 6.66 1.02 -0.31 -5.03 119.74 122.05 2jqo s LYS 12 Ca 0.02 0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.13 2jqo s LYS 12 Cb 0.08 -3.86 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2jqo s LYS 12 CO 0.57 -0.94 -0.08 -1.64 -0.92 0.00 0.00 175.35 172.33 2jqo s MET 13 N 3.11 2.68 -0.25 1.68 -1.94 -1.26 -4.79 119.30 118.53 2jqo s MET 13 Ca 0.30 -0.59 -0.26 0.00 -1.71 0.00 0.00 55.69 53.43 2jqo s MET 13 Cb -0.13 -2.54 -0.00 0.00 2.01 0.00 0.00 34.83 34.17 2jqo s MET 13 CO 0.19 0.65 0.88 -0.65 -0.01 0.00 0.00 175.02 176.08 2jqo s GLN 14 N -0.84 4.17 -0.47 2.03 -0.21 0.67 -4.83 119.66 120.17 2jqo s GLN 14 Ca 0.13 1.00 -0.26 0.00 0.02 0.00 0.00 55.36 56.24 2jqo s GLN 14 Cb -0.11 -3.66 0.03 0.00 1.00 0.00 0.00 33.01 30.27 2jqo s GLN 14 CO 0.02 -0.58 0.99 0.45 -2.12 0.00 0.00 175.29 174.05 2jqo s SER 15 N 1.35 6.53 -0.20 5.90 0.15 -1.26 -2.42 113.70 123.76 2jqo s SER 15 Ca 0.37 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.22 2jqo s SER 15 Cb -0.15 -2.48 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2jqo s SER 15 CO 0.08 -1.12 -0.13 -0.22 1.20 0.00 0.00 173.24 173.05 2jqo s LEU 16 N 3.98 2.55 -0.15 3.45 1.98 0.46 -4.95 118.68 126.00 2jqo s LEU 16 Ca 0.40 -0.59 -0.16 0.00 -2.89 0.00 0.00 54.13 50.89 2jqo s LEU 16 Cb -0.09 -1.60 -0.04 0.00 0.66 0.00 0.00 46.19 45.12 2jqo s LEU 16 CO 0.28 -0.02 0.38 -0.69 -1.89 0.00 0.00 176.35 174.41 2jqo s VAL 17 N 1.36 5.25 0.14 1.68 1.01 -1.26 0.12 120.40 128.69 2jqo s VAL 17 Ca 0.05 0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2jqo s VAL 17 Cb -0.14 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2jqo s VAL 17 CO -0.08 0.35 0.28 -0.83 0.00 0.00 0.00 175.10 174.82 2jqo s GLY 18 N 0.59 0.22 -0.22 4.51 0.00 0.04 -4.02 107.32 108.43 2jqo s GLY 18 Ca 0.21 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 44.18 2jqo s GLY 18 CO 0.07 -0.73 0.13 -0.19 0.00 0.00 0.00 173.10 172.39 2jqo s TYR 19 N -3.91 3.31 -0.98 1.90 1.51 -0.11 -1.28 117.35 117.79 2jqo s TYR 19 Ca 0.11 0.19 -0.24 0.00 -1.01 0.00 0.00 57.07 56.12 2jqo s TYR 19 Cb 0.03 -2.22 0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2jqo s TYR 19 CO -0.05 0.10 1.44 0.08 -1.11 0.00 0.00 175.55 176.01 2jqo s VAL 20 N 0.85 3.88 -0.16 0.71 1.01 0.17 -1.26 120.40 125.60 2jqo s VAL 20 Ca 0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2jqo s VAL 20 Cb -0.13 -5.01 -0.24 0.00 0.00 0.00 0.00 36.38 31.01 2jqo s VAL 20 CO 0.03 -1.90 0.21 0.55 0.00 0.00 0.00 175.10 173.98 2jqo n VAL 21 N 6.85 1.69 -4.50 2.92 3.14 -1.19 -0.10 118.33 127.14 2jqo n VAL 21 Ca 0.29 -0.64 -0.23 0.00 -2.96 0.00 0.00 64.34 60.80 2jqo n VAL 21 Cb 0.51 -1.60 -0.16 0.00 -1.06 0.00 0.00 33.84 31.52 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2jqo s LEU 22 N -6.84 1.70 -0.02 6.55 2.96 -1.07 -4.56 118.68 117.41 2jqo s LEU 22 Ca -0.25 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2jqo s LEU 22 Cb 0.07 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 46.06 2jqo s LEU 22 CO 0.73 0.05 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.95 2jqo s LYS 23 N 0.41 1.01 0.37 1.98 2.20 -1.26 -0.15 119.74 124.30 2jqo s LYS 23 Ca -0.08 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2jqo s LYS 23 Cb -0.12 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 2jqo s LYS 23 CO 0.02 0.18 0.02 -3.47 -0.36 0.00 0.00 175.35 171.74 2jqo n ASP 24 N 3.08 2.96 0.08 1.43 2.03 0.69 -4.99 116.55 121.83 2jqo n ASP 24 Ca -0.16 -2.60 -0.18 0.00 0.52 0.00 0.00 54.79 52.37 2jqo n ASP 24 Cb 0.55 0.23 -0.10 0.00 -0.72 0.00 0.00 41.12 41.09 2jqo n ASP 24 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2jqo h ASN 25 N 0.85 0.69 0.13 1.67 -0.00 -2.01 -3.37 115.58 113.54 2jqo h ASN 25 Ca -0.30 -0.61 -0.36 0.00 -0.00 0.00 0.00 56.30 55.02 2jqo h ASN 25 Cb 0.93 -0.22 -0.05 0.00 -0.00 0.00 0.00 38.32 38.99 2jqo h ASN 25 CO 0.50 1.43 -2.16 -0.62 -0.00 0.00 0.00 177.43 176.58 2jqo n GLU 26 N -3.74 0.70 -4.30 6.67 1.02 -1.26 -4.73 120.64 114.99 2jqo n GLU 26 Ca -0.10 0.20 -0.18 0.00 -0.02 0.00 0.00 57.16 57.06 2jqo n GLU 26 Cb 0.93 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 2jqo n GLU 26 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqo s ARG 27 N -2.54 1.56 -0.01 3.49 0.52 -1.26 -1.10 118.95 119.61 2jqo s ARG 27 Ca -0.22 -1.88 -0.09 0.00 -0.52 0.00 0.00 55.73 53.01 2jqo s ARG 27 Cb 0.07 0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.62 2jqo s ARG 27 CO 0.73 -0.49 0.18 0.00 0.02 0.00 0.00 175.30 175.75 2jqo s ALA 28 N -3.67 -0.44 -0.30 2.13 0.00 -0.66 -0.22 121.76 118.59 2jqo s ALA 28 Ca 0.37 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 2jqo s ALA 28 Cb 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 2jqo s ALA 28 CO 0.19 -0.21 0.11 0.42 0.00 0.00 0.00 175.76 176.27 2jqo s ILE 29 N -1.27 4.29 -0.08 0.00 1.01 0.79 -0.19 121.20 125.76 2jqo s ILE 29 Ca -0.13 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2jqo s ILE 29 Cb -0.07 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2jqo s ILE 29 CO 0.02 0.11 -0.06 -0.76 0.00 0.00 0.00 174.94 174.25 2jqo s LEU 30 N 1.57 3.20 -0.29 2.97 1.43 0.37 -2.60 118.68 125.33 2jqo s LEU 30 Ca 0.04 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 2jqo s LEU 30 Cb -0.17 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2jqo s LEU 30 CO 0.04 0.33 0.41 -0.63 0.23 0.00 0.00 176.35 176.74 2jqo s ILE 31 N -0.64 5.14 -1.03 -0.59 1.01 -0.39 -0.88 121.20 123.82 2jqo s ILE 31 Ca 0.10 0.49 -0.23 0.00 0.00 0.00 0.00 60.65 61.01 2jqo s ILE 31 Cb -0.12 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.63 2jqo s ILE 31 CO 0.02 0.05 1.46 0.42 0.00 0.00 0.00 174.94 176.89 2jqo s THR 32 N 2.14 3.92 -0.30 2.92 -4.23 0.10 -0.93 115.64 119.26 2jqo s THR 32 Ca 0.16 -0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 2jqo s THR 32 Cb -0.16 -5.06 0.01 0.00 1.34 0.00 0.00 72.50 68.63 2jqo s THR 32 CO 0.11 -1.94 0.19 -0.67 -0.54 0.00 0.00 174.62 171.77 2jqo n ASP 33 N 8.91 -7.63 -1.53 3.99 2.03 -1.26 -4.91 116.55 116.15 2jqo n ASP 33 Ca 0.34 0.96 -0.01 0.00 0.52 0.00 0.00 54.79 56.60 2jqo n ASP 33 Cb 0.51 -4.53 -0.00 0.00 -0.72 0.00 0.00 41.12 36.38 2jqo n ASP 33 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jqo n THR 34 N 0.50 0.12 -2.16 5.18 -1.04 -1.26 -4.97 114.28 110.64 2jqo n THR 34 Ca 0.02 -0.83 -0.17 0.00 -2.04 0.00 0.00 64.05 61.04 2jqo n THR 34 Cb 0.24 0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 69.58 2jqo n THR 34 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2jqo n LYS 35 N 0.08 -1.32 -1.41 -2.82 4.81 -1.26 -4.70 118.16 111.54 2jqo n LYS 35 Ca -0.08 0.87 0.01 0.00 -0.87 0.00 0.00 58.31 58.25 2jqo n LYS 35 Cb 0.94 -5.27 -0.01 0.00 0.02 0.00 0.00 35.03 30.71 2jqo n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jqo n ALA 36 N -1.21 -1.96 -1.93 3.14 0.00 -1.26 -4.95 120.51 112.33 2jqo n ALA 36 Ca -0.19 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 2jqo n ALA 36 Cb 0.63 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.72 2jqo n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jqo s PRO 37 N -5.19 3.37 0.56 0.00 0.04 -1.26 -5.09 135.00 127.42 2jqo s PRO 37 Ca 0.00 0.57 0.04 0.00 0.04 0.00 0.00 61.00 61.65 2jqo s PRO 37 Cb 0.00 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.49 2jqo s PRO 37 CO 0.00 -0.65 0.78 0.20 0.04 0.00 0.00 177.00 177.37 2jqo s GLY 38 N -4.22 1.82 0.55 0.56 0.00 -1.26 -4.93 107.32 99.83 2jqo s GLY 38 Ca 0.55 -1.65 0.22 0.00 0.00 0.00 0.00 44.72 43.84 2jqo s GLY 38 CO 0.52 -1.30 2.14 1.70 0.00 0.00 0.00 173.10 176.16 2jqo h LYS 39 N 0.10 0.00 -0.92 2.90 1.63 -1.98 0.23 116.57 118.52 2jqo h LYS 39 Ca -0.38 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.48 2jqo h LYS 39 Cb 1.28 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.86 2jqo h LYS 39 CO 0.46 0.00 0.60 0.93 -3.45 0.00 0.00 179.45 177.99 2jqo h GLU 40 N 0.00 1.03 0.00 1.90 4.39 -1.99 0.17 114.58 120.09 2jqo h GLU 40 Ca 0.05 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 2jqo h GLU 40 Cb 0.22 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2jqo h GLU 40 CO -0.00 0.68 -0.92 -0.44 -1.16 0.00 0.00 179.01 177.17 2jqo h ASP 41 N 1.07 0.00 1.32 1.42 3.32 -0.95 -2.33 116.42 120.27 2jqo h ASP 41 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2jqo h ASP 41 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2jqo h ASP 41 CO -0.14 0.83 0.00 1.88 -1.72 0.00 0.00 179.24 180.09 2jqo h TYR 42 N 0.00 0.00 0.18 4.55 0.05 -0.60 -3.02 116.97 118.13 2jqo h TYR 42 Ca -0.03 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.44 2jqo h TYR 42 Cb 1.67 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.42 2jqo h TYR 42 CO 0.00 0.00 -1.38 -0.97 -1.05 0.00 0.00 178.16 174.76 2jqo h ASN 43 N 0.00 0.61 -4.11 3.88 -0.73 -0.41 -3.46 115.58 111.35 2jqo h ASN 43 Ca 0.00 -0.66 -0.50 0.00 1.87 0.00 0.00 56.30 57.00 2jqo h ASN 43 Cb 0.66 -0.20 0.18 0.00 0.27 0.00 0.00 38.32 39.23 2jqo h ASN 43 CO 0.00 1.52 0.22 -0.76 -0.37 0.00 0.00 177.43 178.04 2jqo s LEU 44 N -7.33 2.53 0.65 0.34 1.43 -0.90 -5.03 118.68 110.37 2jqo s LEU 44 Ca -0.07 1.91 -0.10 0.00 -1.03 0.00 0.00 54.13 54.84 2jqo s LEU 44 Cb 0.06 -4.31 -0.01 0.00 0.03 0.00 0.00 46.19 41.97 2jqo s LEU 44 CO 0.91 -2.94 1.02 -0.44 0.23 0.00 0.00 176.35 175.13 2jqo s SER 45 N -2.93 5.75 0.42 2.29 0.01 -1.26 -4.84 113.70 113.14 2jqo s SER 45 Ca 0.65 1.13 0.09 0.00 1.31 0.00 0.00 55.95 59.13 2jqo s SER 45 Cb -0.21 -2.07 0.91 0.00 0.21 0.00 0.00 66.02 64.86 2jqo s SER 45 CO 0.58 -1.11 2.04 1.05 0.41 0.00 0.00 173.24 176.21 2jqo h GLU 46 N -0.42 0.38 -0.49 12.44 9.09 -1.95 0.18 114.58 133.81 2jqo h GLU 46 Ca -0.45 -0.04 -0.09 0.00 0.05 0.00 0.00 59.36 58.83 2jqo h GLU 46 Cb 1.23 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 28.24 2jqo h GLU 46 CO 0.63 0.30 -0.05 0.78 0.05 0.00 0.00 179.01 180.72 2jqo h GLY 47 N 0.49 0.97 1.27 1.06 0.00 -1.97 0.40 103.07 105.30 2jqo h GLY 47 Ca 0.10 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 2jqo h GLY 47 CO -0.01 0.69 -0.11 1.46 0.00 0.00 0.00 176.54 178.57 2jqo h GLN 48 N 0.76 0.85 -0.43 4.80 4.20 -1.57 -0.89 115.11 122.83 2jqo h GLN 48 Ca 0.13 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 2jqo h GLN 48 Cb 0.59 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2jqo h GLN 48 CO 0.04 0.93 -0.25 1.25 -0.67 0.00 0.00 178.83 180.12 2jqo h LEU 49 N 0.77 0.96 -1.90 1.46 5.85 -0.89 -2.46 115.31 119.09 2jqo h LEU 49 Ca 0.13 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2jqo h LEU 49 Cb 0.62 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2jqo h LEU 49 CO 0.04 1.17 -0.07 -0.03 -0.34 0.00 0.00 178.44 179.21 2jqo h MET 50 N 0.76 0.00 0.12 1.25 4.05 0.25 -0.71 114.93 120.65 2jqo h MET 50 Ca 0.09 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.22 2jqo h MET 50 Cb 0.83 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2jqo h MET 50 CO 0.07 0.07 -1.36 -0.97 0.23 0.00 0.00 176.91 174.96 2jqo h ASN 51 N 0.00 0.40 0.09 1.39 -1.24 -1.03 -3.08 115.58 112.11 2jqo h ASN 51 Ca -0.00 -0.48 -0.00 0.00 0.71 0.00 0.00 56.30 56.53 2jqo h ASN 51 Cb 0.13 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2jqo h ASN 51 CO 0.01 1.38 -0.04 0.50 -1.29 0.00 0.00 177.43 177.99 2jqo h LYS 52 N 0.07 -0.12 -1.72 6.67 3.64 -0.91 -3.20 116.57 120.99 2jqo h LYS 52 Ca -0.18 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.62 2jqo h LYS 52 Cb 1.99 0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 33.61 2jqo h LYS 52 CO 0.19 0.38 0.71 1.19 -2.27 0.00 0.00 179.45 179.65 2jqo n PHE 53 N -4.88 2.36 -0.21 1.91 3.72 -0.33 -4.76 117.46 115.27 2jqo n PHE 53 Ca -0.08 -2.29 0.16 0.00 -0.05 0.00 0.00 57.45 55.19 2jqo n PHE 53 Cb 0.28 -1.27 0.48 0.00 -0.94 0.00 0.00 39.48 38.04 2jqo n PHE 53 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2jqo h LYS 54 N 2.56 0.45 -0.07 -1.08 3.64 -1.54 -0.35 116.57 120.18 2jqo h LYS 54 Ca 0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2jqo h LYS 54 Cb 0.54 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2jqo h LYS 54 CO 1.18 0.30 0.00 0.09 -2.27 0.00 0.00 179.45 178.75 2jqo n ASN 55 N -4.51 2.23 0.00 4.20 5.03 -1.26 -4.42 115.26 116.53 2jqo n ASN 55 Ca 0.17 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 54.01 2jqo n ASN 55 Cb 0.58 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jqo n ASN 56 N 0.73 1.65 -4.65 6.41 4.13 -0.29 -5.00 115.26 118.25 2jqo n ASN 56 Ca 0.08 -1.69 -0.39 0.00 1.68 0.00 0.00 54.58 54.27 2jqo n ASN 56 Cb 0.35 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.51 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2jqo s ILE 57 N -0.69 5.15 -0.08 2.41 2.07 -0.35 0.02 121.20 129.72 2jqo s ILE 57 Ca 0.00 0.79 0.03 0.00 -1.41 0.00 0.00 60.65 60.06 2jqo s ILE 57 Cb 0.00 -3.77 0.01 0.00 0.13 0.00 0.00 42.46 38.83 2jqo s ILE 57 CO 0.00 0.19 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.37 2jqo s VAL 58 N 1.66 1.50 -0.45 4.00 1.01 -0.06 -4.33 120.40 123.72 2jqo s VAL 58 Ca 0.20 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2jqo s VAL 58 Cb -0.15 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.93 2jqo s VAL 58 CO 0.09 0.44 0.52 -0.63 0.00 0.00 0.00 175.10 175.52 2jqo s ILE 59 N 0.60 5.00 0.10 2.22 1.01 -0.60 -0.48 121.20 129.05 2jqo s ILE 59 Ca -0.15 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2jqo s ILE 59 Cb -0.16 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 2jqo s ILE 59 CO 0.05 -0.58 0.52 0.68 0.00 0.00 0.00 174.94 175.61 2jqo s VAL 60 N 2.34 4.87 -0.33 2.92 -7.23 0.74 -0.54 120.40 123.16 2jqo s VAL 60 Ca 0.14 0.90 -0.22 0.00 -1.81 0.00 0.00 61.98 60.98 2jqo s VAL 60 Cb -0.18 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2jqo s VAL 60 CO 0.13 0.37 0.73 -0.83 -0.31 0.00 0.00 175.10 175.20 2jqo s GLY 61 N -1.47 1.71 0.00 2.32 0.00 0.19 -1.66 107.32 108.41 2jqo s GLY 61 Ca 0.33 -0.61 0.17 0.00 0.00 0.00 0.00 44.72 44.61 2jqo s GLY 61 CO 0.18 1.65 0.87 1.04 0.00 0.00 0.00 173.10 176.84 2jqo n LEU 62 N 6.17 1.65 0.24 0.66 4.77 -0.69 -2.60 117.00 127.20 2jqo n LEU 62 Ca 0.02 -0.76 0.07 0.00 -0.03 0.00 0.00 56.01 55.31 2jqo n LEU 62 Cb 0.48 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.14 2jqo n LEU 62 CO 0.50 0.32 0.95 0.28 -1.33 0.00 0.00 177.39 178.10 2jqo h SER 63 N 1.82 0.00 -0.38 -1.43 0.02 -1.40 0.40 113.55 112.57 2jqo h SER 63 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jqo h SER 63 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2jqo h SER 63 CO 0.00 0.14 0.00 -0.62 -1.14 0.00 0.00 176.83 175.21 2jqo n GLU 64 N -4.26 1.91 -3.56 3.45 4.71 -1.26 -4.51 120.64 117.12 2jqo n GLU 64 Ca -0.03 -1.41 -0.29 0.00 -0.01 0.00 0.00 57.16 55.42 2jqo n GLU 64 Cb 0.21 -1.32 -0.14 0.00 -1.01 0.00 0.00 31.44 29.19 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2jqo s ILE 65 N -1.49 0.29 -1.03 -3.67 1.01 0.13 -4.98 121.20 111.46 2jqo s ILE 65 Ca 0.27 -1.35 0.22 0.00 0.00 0.00 0.00 60.65 59.79 2jqo s ILE 65 Cb 0.14 -1.23 0.20 0.00 0.01 0.00 0.00 42.46 41.58 2jqo s ILE 65 CO 0.19 -0.83 1.71 -0.90 0.00 0.00 0.00 174.94 175.11 2jqo n ASP 66 N 4.61 0.00 -1.71 3.58 5.75 -1.26 -3.14 116.55 124.39 2jqo n ASP 66 Ca 0.02 0.46 -0.14 0.00 -0.01 0.00 0.00 54.79 55.12 2jqo n ASP 66 Cb 0.40 -0.48 0.07 0.00 -1.03 0.00 0.00 41.12 40.07 2jqo n ASP 66 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jqo n ASN 67 N -1.48 4.47 -1.77 -1.12 4.13 -1.26 -4.13 115.26 114.09 2jqo n ASN 67 Ca 0.06 -2.89 0.04 0.00 1.68 0.00 0.00 54.58 53.46 2jqo n ASN 67 Cb 0.25 -0.80 0.36 0.00 -1.54 0.00 0.00 39.78 38.05 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2jqo n THR 68 N -0.09 2.75 0.07 3.41 -2.24 -1.19 -4.39 114.28 112.60 2jqo n THR 68 Ca 0.30 -1.56 -0.09 0.00 -2.27 0.00 0.00 64.05 60.43 2jqo n THR 68 Cb 0.90 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.71 2jqo n THR 68 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jqo h ASP 69 N 3.33 0.11 0.75 3.42 3.58 -1.90 -2.99 116.42 122.72 2jqo h ASP 69 Ca 0.07 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2jqo h ASP 69 Cb 2.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.01 2jqo h ASP 69 CO 0.52 1.09 0.00 0.47 -2.88 0.00 0.00 179.24 178.44 2jqo n ASP 70 N -3.38 0.09 -4.66 2.28 8.00 -1.26 -4.71 116.55 112.91 2jqo n ASP 70 Ca -0.03 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 2jqo n ASP 70 Cb 0.97 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 2jqo n ASP 70 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jqo s LEU 71 N -3.18 4.23 -0.03 0.64 2.96 -1.13 -5.00 118.68 117.16 2jqo s LEU 71 Ca 0.10 1.90 -0.05 0.00 -0.22 0.00 0.00 54.13 55.86 2jqo s LEU 71 Cb 0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 2jqo s LEU 71 CO 0.39 -0.84 0.19 -0.75 -1.32 0.00 0.00 176.35 174.02 2jqo s LYS 72 N 3.75 3.47 0.09 1.98 2.20 -1.26 -5.08 119.74 124.90 2jqo s LYS 72 Ca 0.62 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2jqo s LYS 72 Cb -0.26 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 2jqo s LYS 72 CO 0.21 0.69 1.05 0.50 -0.36 0.00 0.00 175.35 177.44 2jqo s ARG 73 N -1.70 4.59 0.00 4.03 3.52 -1.26 -3.89 118.95 124.23 2jqo s ARG 73 Ca 0.25 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.43 2jqo s ARG 73 Cb -0.13 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 2jqo s ARG 73 CO 0.15 0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 2jqo n GLY 74 N 2.53 0.56 3.24 8.12 0.00 0.86 -5.04 105.19 115.47 2jqo n GLY 74 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2jqo n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqo s GLU 75 N -1.73 1.31 -0.05 1.61 2.56 -1.07 -4.94 118.70 116.39 2jqo s GLU 75 Ca 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 54.97 53.36 2jqo s GLU 75 Cb 0.00 0.29 -0.02 0.00 2.00 0.00 0.00 34.13 36.40 2jqo s GLU 75 CO 0.00 -0.45 -0.18 0.21 -0.56 0.00 0.00 175.26 174.28 2jqo s LYS 76 N -4.03 2.44 0.04 4.30 2.20 -1.22 0.42 119.74 123.89 2jqo s LYS 76 Ca 0.38 -0.78 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2jqo s LYS 76 Cb 0.06 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 34.07 2jqo s LYS 76 CO 0.14 0.57 -0.04 0.96 -0.36 0.00 0.00 175.35 176.62 2jqo s ILE 77 N -0.61 0.23 -0.31 5.43 -4.36 -0.41 -0.50 121.20 120.68 2jqo s ILE 77 Ca 0.09 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 2jqo s ILE 77 Cb -0.11 -0.89 0.07 0.00 1.25 0.00 0.00 42.46 42.78 2jqo s ILE 77 CO 0.01 -0.72 0.01 -0.75 0.24 0.00 0.00 174.94 173.73 2jqo s LYS 78 N -2.62 2.18 0.28 0.37 2.20 -0.31 -0.78 119.74 121.06 2jqo s LYS 78 Ca -0.04 -1.46 0.02 0.00 -0.36 0.00 0.00 55.97 54.12 2jqo s LYS 78 Cb -0.02 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2jqo s LYS 78 CO -0.05 -0.72 0.45 0.14 -0.36 0.00 0.00 175.35 174.81 2jqo s VAL 79 N 1.15 5.18 -0.12 4.02 -7.23 0.12 0.22 120.40 123.73 2jqo s VAL 79 Ca -0.02 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2jqo s VAL 79 Cb -0.20 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 32.92 2jqo s VAL 79 CO -0.04 -0.40 -0.12 0.26 -0.31 0.00 0.00 175.10 174.49 2jqo s TRP 80 N -2.11 1.88 0.11 2.82 0.51 0.33 -0.40 118.94 122.08 2jqo s TRP 80 Ca 0.38 -0.97 0.03 0.00 -2.12 0.00 0.00 56.10 53.42 2jqo s TRP 80 Cb -0.10 -1.42 -0.04 0.00 -0.81 0.00 0.00 33.47 31.11 2jqo s TRP 80 CO 0.32 -0.55 -0.09 -0.59 -0.51 0.00 0.00 176.95 175.53 2jqo s PHE 81 N 1.37 1.08 -0.29 -1.98 -0.12 -1.01 -1.89 117.98 115.14 2jqo s PHE 81 Ca 0.01 -0.76 0.08 0.00 -0.05 0.00 0.00 56.93 56.21 2jqo s PHE 81 Cb -0.13 -0.58 -0.09 0.00 -0.63 0.00 0.00 43.02 41.58 2jqo s PHE 81 CO -0.07 -0.01 0.29 1.58 -0.05 0.00 0.00 175.22 176.97 2jqo n HIS 82 N 0.15 0.00 -3.83 3.49 -0.00 -1.26 -0.24 115.22 113.53 2jqo n HIS 82 Ca -0.13 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.92 2jqo n HIS 82 Cb 0.59 -0.04 -0.14 0.00 -0.12 0.00 0.00 29.99 30.28 2jqo n HIS 82 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2jqo s THR 83 N -1.91 -0.02 -0.05 3.57 2.01 -1.26 -4.98 115.64 113.01 2jqo s THR 83 Ca 0.02 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.10 2jqo s THR 83 Cb 0.06 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.45 2jqo s THR 83 CO 0.32 0.02 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.04 2jqo s ARG 84 N 0.33 2.60 -0.29 4.92 0.52 -1.26 -4.25 118.95 121.51 2jqo s ARG 84 Ca -0.03 -0.64 -0.25 0.00 -0.52 0.00 0.00 55.73 54.29 2jqo s ARG 84 Cb -0.04 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.97 2jqo s ARG 84 CO -0.01 0.64 0.87 0.21 0.02 0.00 0.00 175.30 177.03 2jqo s LYS 85 N -0.84 4.04 -0.47 3.54 2.20 0.14 -4.97 119.74 123.37 2jqo s LYS 85 Ca 0.12 0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 56.27 2jqo s LYS 85 Cb -0.11 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2jqo s LYS 85 CO 0.02 -0.70 1.89 -2.00 -0.36 0.00 0.00 175.35 174.20 2jqo s GLU 86 N 3.11 2.89 0.31 4.03 2.12 -1.26 -2.19 118.70 127.70 2jqo s GLU 86 Ca 0.36 1.07 -0.19 0.00 0.36 0.00 0.00 54.97 56.57 2jqo s GLU 86 Cb -0.14 -4.32 0.05 0.00 0.26 0.00 0.00 34.13 29.98 2jqo s GLU 86 CO 0.12 -2.40 0.84 -1.54 -0.54 0.00 0.00 175.26 171.74 2jqo s SER 87 N 7.64 -0.06 -0.19 -1.70 1.04 -1.26 -4.96 113.70 114.21 2jqo s SER 87 Ca 0.76 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 2jqo s SER 87 Cb -0.18 0.73 0.06 0.00 0.10 0.00 0.00 66.02 66.74 2jqo s SER 87 CO 0.27 -1.43 0.03 0.20 0.98 0.00 0.00 173.24 173.29 2jqo s ASN 88 N -3.09 2.89 0.67 7.02 -0.87 -1.26 -2.09 114.94 118.20 2jqo s ASN 88 Ca 0.15 -0.80 -0.14 0.00 -1.57 0.00 0.00 52.86 50.50 2jqo s ASN 88 Cb -0.04 -0.62 0.00 0.00 -0.02 0.00 0.00 41.25 40.57 2jqo s ASN 88 CO 0.09 -0.30 1.09 -2.84 -2.57 0.00 0.00 177.10 172.57 2jqo s PRO 89 N 1.84 2.85 0.35 -0.60 0.02 -1.26 -5.10 135.00 133.09 2jqo s PRO 89 Ca -0.01 1.27 -0.29 0.00 0.02 0.00 0.00 61.00 61.99 2jqo s PRO 89 Cb -0.17 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 32.27 2jqo s PRO 89 CO -0.08 -1.20 1.47 -2.30 -0.33 0.00 0.00 177.00 174.56 2jqo n PRO 90 N -2.58 2.54 -4.27 5.54 -0.02 -0.89 -4.76 135.00 130.56 2jqo n PRO 90 Ca 0.09 0.89 -0.24 0.00 -2.02 0.00 0.00 63.50 62.23 2jqo n PRO 90 Cb 0.52 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jqo s SER 91 N -0.02 4.58 -0.28 2.55 0.01 -0.93 -1.55 113.70 118.05 2jqo s SER 91 Ca 0.56 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.25 2jqo s SER 91 Cb -0.51 -0.88 0.15 0.00 0.21 0.00 0.00 66.02 65.00 2jqo s SER 91 CO 0.60 0.03 0.38 0.00 0.41 0.00 0.00 173.24 174.65 2jqo s ALA 92 N -2.13 -1.01 -0.22 1.44 0.00 0.30 0.24 121.76 120.37 2jqo s ALA 92 Ca 0.30 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2jqo s ALA 92 Cb -0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2jqo s ALA 92 CO 0.19 -1.68 1.53 0.99 0.00 0.00 0.00 175.76 176.79 2jqo s THR 93 N 2.50 3.82 0.33 0.00 2.01 -1.26 -0.63 115.64 122.40 2jqo s THR 93 Ca 0.10 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 62.96 2jqo s THR 93 Cb -0.13 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 2jqo s THR 93 CO -0.29 -0.31 0.64 0.27 -0.69 0.00 0.00 174.62 174.24 2jqo s ILE 94 N 4.85 4.92 -0.06 1.82 -4.36 -1.07 -4.71 121.20 122.59 2jqo s ILE 94 Ca 0.67 0.31 0.16 0.00 -0.26 0.00 0.00 60.65 61.53 2jqo s ILE 94 Cb -0.23 -3.72 -0.24 0.00 1.25 0.00 0.00 42.46 39.52 2jqo s ILE 94 CO 0.27 -0.37 0.27 0.00 0.24 0.00 0.00 174.94 175.35 2jqo n GLN 95 N -0.99 0.80 -3.45 0.37 1.13 -0.79 -4.81 117.38 109.63 2jqo n GLN 95 Ca 0.00 -0.11 -0.11 0.00 -1.94 0.00 0.00 57.00 54.84 2jqo n GLN 95 Cb 0.54 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.47 2jqo n GLN 95 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2jqo s LYS 96 N -2.92 1.12 0.07 -1.09 2.20 -1.15 -5.03 119.74 112.94 2jqo s LYS 96 Ca -0.07 -0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.04 2jqo s LYS 96 Cb 0.09 0.52 0.01 0.00 -1.51 0.00 0.00 37.83 36.94 2jqo s LYS 96 CO 0.68 -0.49 0.26 1.52 -0.36 0.00 0.00 175.35 176.96 2jqo s TYR 97 N -3.44 0.00 -0.24 4.03 1.13 -1.26 -0.51 117.35 117.06 2jqo s TYR 97 Ca 0.02 -0.29 -0.02 0.00 -1.41 0.00 0.00 57.07 55.36 2jqo s TYR 97 Cb -0.01 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.91 2jqo s TYR 97 CO -0.11 -0.54 -0.06 -1.21 -2.51 0.00 0.00 175.55 171.13 2jqo s GLU 98 N -3.26 2.95 -0.42 -3.49 0.41 0.13 -4.94 118.70 110.09 2jqo s GLU 98 Ca 0.00 -0.90 -0.28 0.00 -0.41 0.00 0.00 54.97 53.37 2jqo s GLU 98 Cb 0.02 -2.99 -0.00 0.00 -1.78 0.00 0.00 34.13 29.38 2jqo s GLU 98 CO -0.08 -0.36 1.57 -1.17 -0.49 0.00 0.00 175.26 174.73 2jqo s LEU 99 N 1.36 3.52 -0.53 1.80 2.96 -1.26 -1.16 118.68 125.36 2jqo s LEU 99 Ca 0.02 0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 2jqo s LEU 99 Cb -0.16 -3.41 0.11 0.00 0.50 0.00 0.00 46.19 43.22 2jqo s LEU 99 CO -0.04 -1.62 0.52 -0.76 -1.32 0.00 0.00 176.35 173.13 2jqo s LEU 100 N 6.22 5.81 0.01 -0.68 1.43 0.35 -5.00 118.68 126.83 2jqo s LEU 100 Ca 0.67 -1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 2jqo s LEU 100 Cb -0.16 -2.24 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 2jqo s LEU 100 CO 0.31 -0.86 1.91 -0.76 0.23 0.00 0.00 176.35 177.19 2jqo s LEU 101 N 1.89 4.39 -0.08 1.79 1.43 -1.26 -3.38 118.68 123.46 2jqo s LEU 101 Ca 0.06 2.56 -0.31 0.00 -1.03 0.00 0.00 54.13 55.41 2jqo s LEU 101 Cb -0.27 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 2jqo s LEU 101 CO 0.05 -1.05 2.02 1.21 0.23 0.00 0.00 176.35 178.80 2jqo n GLU 102 N 7.50 2.35 -3.99 1.70 0.00 -1.26 -4.96 120.64 121.97 2jqo n GLU 102 Ca 0.20 0.82 -0.34 0.00 0.00 0.00 0.00 57.16 57.83 2jqo n GLU 102 Cb 0.41 -2.91 -0.15 0.00 0.00 0.00 0.00 31.44 28.79 2jqo n GLU 102 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jqo s HIS 103 N 5.37 2.97 0.18 4.31 3.76 -1.26 -4.99 115.29 125.62 2jqo s HIS 103 Ca 0.94 -1.45 -0.13 0.00 -0.15 0.00 0.00 55.06 54.27 2jqo s HIS 103 Cb -0.52 -2.03 0.08 0.00 1.11 0.00 0.00 32.58 31.22 2jqo s HIS 103 CO 0.44 -0.71 1.80 0.45 -0.85 0.00 0.00 174.74 175.87 2jqo h HIS 104 N 8.01 0.79 -2.08 1.40 3.86 -2.02 -3.35 115.15 121.76 2jqo h HIS 104 Ca -0.38 -0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 58.28 2jqo h HIS 104 Cb 1.13 -0.25 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 2jqo h HIS 104 CO 0.55 0.56 1.16 -1.01 0.86 0.00 0.00 177.93 180.05 2jqo s HIS 105 N -5.90 2.21 -0.57 2.45 3.76 -1.26 -4.79 115.29 111.20 2jqo s HIS 105 Ca -0.13 -0.02 0.24 0.00 -0.15 0.00 0.00 55.06 55.00 2jqo s HIS 105 Cb 0.13 -4.55 0.36 0.00 1.11 0.00 0.00 32.58 29.63 2jqo s HIS 105 CO 0.77 -2.08 1.37 0.45 -0.85 0.00 0.00 174.74 174.39 2jqo h HIS 106 N 10.74 0.00 -4.08 1.40 3.86 -2.03 -3.45 115.15 121.59 2jqo h HIS 106 Ca -0.20 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.53 2jqo h HIS 106 Cb 1.06 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.28 2jqo h HIS 106 CO 1.14 0.00 -0.81 -1.01 0.86 0.00 0.00 177.93 178.11 2jqo s HIS 107 N -3.19 1.40 -2.78 2.45 3.76 -1.26 -5.18 115.29 110.48 2jqo s HIS 107 Ca 0.06 -0.35 0.22 0.00 -0.15 0.00 0.00 55.06 54.84 2jqo s HIS 107 Cb 0.12 -0.83 0.18 0.00 1.11 0.00 0.00 32.58 33.15 2jqo s HIS 107 CO 0.71 0.05 1.21 0.72 -0.85 0.00 0.00 174.74 176.58