#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgz s GLU 2 N 0.00 2.32 -0.12 0.00 -1.05 -1.26 -5.04 118.70 113.54 1jgz s GLU 2 Ca 0.00 -1.40 -0.11 0.00 -0.15 0.00 0.00 54.97 53.30 1jgz s GLU 2 Cb 0.00 -3.29 -0.05 0.00 -0.44 0.00 0.00 34.13 30.35 1jgz s GLU 2 CO 0.00 -0.73 0.44 0.98 0.95 0.00 0.00 175.26 176.89 1jgz n TYR 3 N 4.62 0.38 1.40 4.83 9.36 -1.26 -4.85 117.16 131.64 1jgz n TYR 3 Ca -0.10 0.25 0.14 0.00 3.32 0.00 0.00 57.90 61.51 1jgz n TYR 3 Cb 0.43 -0.55 0.48 0.00 -0.63 0.00 0.00 39.34 39.07 1jgz n TYR 3 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1jgz n GLN 4 N 1.27 1.24 -2.08 2.98 1.13 -1.26 -4.97 117.38 115.69 1jgz n GLN 4 Ca 0.10 -0.70 -0.19 0.00 -1.94 0.00 0.00 57.00 54.27 1jgz n GLN 4 Cb -0.01 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.82 1jgz n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jgz n ASN 5 N -0.27 -5.22 0.07 1.08 2.85 -1.26 -4.83 115.26 107.68 1jgz n ASN 5 Ca 0.16 0.20 -0.04 0.00 -0.11 0.00 0.00 54.58 54.79 1jgz n ASN 5 Cb 0.34 -4.47 -0.08 0.00 1.24 0.00 0.00 39.78 36.81 1jgz n ASN 5 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1jgz h ILE 6 N 0.00 1.28 -3.85 -1.44 1.08 -1.96 -3.46 117.51 109.17 1jgz h ILE 6 Ca -0.42 -2.89 -0.31 0.00 -0.39 0.00 0.00 64.86 60.85 1jgz h ILE 6 Cb 1.29 2.62 -0.19 0.00 -3.07 0.00 0.00 36.82 37.46 1jgz h ILE 6 CO 0.54 0.73 -0.74 -0.36 -0.69 0.00 0.00 178.15 177.63 1jgz s PHE 7 N -2.79 0.94 0.28 1.37 0.08 -1.26 -4.77 117.98 111.83 1jgz s PHE 7 Ca 0.01 -0.61 -0.28 0.00 0.12 0.00 0.00 56.93 56.17 1jgz s PHE 7 Cb 0.09 -0.53 -0.09 0.00 -0.57 0.00 0.00 43.02 41.91 1jgz s PHE 7 CO 0.80 -0.03 0.99 -1.12 -0.10 0.00 0.00 175.22 175.75 1jgz s SER 8 N -2.13 7.41 0.04 1.36 0.01 -0.82 -4.94 113.70 114.63 1jgz s SER 8 Ca 0.00 2.00 0.10 0.00 1.31 0.00 0.00 55.95 59.37 1jgz s SER 8 Cb -0.05 -2.60 -0.21 0.00 0.21 0.00 0.00 66.02 63.36 1jgz s SER 8 CO -0.00 -0.02 0.97 1.56 0.41 0.00 0.00 173.24 176.16 1jgz h GLN 9 N 3.70 0.00 -3.46 12.44 4.20 -1.98 -3.46 115.11 126.55 1jgz h GLN 9 Ca -0.46 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 57.99 1jgz h GLN 9 Cb 1.20 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.66 1jgz h GLN 9 CO 0.67 0.73 -0.67 0.08 -0.67 0.00 0.00 178.83 178.96 1jgz s VAL 10 N -2.66 -0.04 0.28 -0.54 1.01 -1.26 -5.15 120.40 112.04 1jgz s VAL 10 Ca -0.02 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1jgz s VAL 10 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1jgz s VAL 10 CO 0.82 0.06 0.45 -1.10 0.00 0.00 0.00 175.10 175.33 1jgz s GLN 11 N 0.86 3.47 -0.07 2.72 -0.21 -1.26 -5.11 119.66 120.05 1jgz s GLN 11 Ca -0.07 -0.52 -0.05 0.00 0.02 0.00 0.00 55.36 54.74 1jgz s GLN 11 Cb -0.10 -2.78 0.03 0.00 1.00 0.00 0.00 33.01 31.16 1jgz s GLN 11 CO -0.03 0.30 0.18 0.08 -2.12 0.00 0.00 175.29 173.70 1jgz s VAL 12 N -2.12 -0.03 0.15 1.09 1.01 -1.26 -5.16 120.40 114.08 1jgz s VAL 12 Ca 0.37 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.54 1jgz s VAL 12 Cb -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1jgz s VAL 12 CO 0.32 0.04 -0.20 -0.60 0.00 0.00 0.00 175.10 174.66 1jgz s ARG 13 N 0.74 1.28 0.00 2.72 3.52 -1.26 -5.08 118.95 120.88 1jgz s ARG 13 Ca -0.05 -1.37 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 1jgz s ARG 13 Cb -0.07 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1jgz s ARG 13 CO -0.04 0.31 0.00 0.41 -0.81 0.00 0.00 175.30 175.17 1jgz n GLY 14 N 0.48 4.09 3.67 8.12 0.00 -1.26 -5.15 105.19 115.15 1jgz n GLY 14 Ca -0.15 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1jgz n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jgz s PRO 15 N -1.81 0.99 0.30 1.61 0.02 -1.26 -4.94 135.00 129.90 1jgz s PRO 15 Ca 0.00 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 1jgz s PRO 15 Cb 0.00 -1.73 -0.10 0.00 0.02 0.00 0.00 34.50 32.69 1jgz s PRO 15 CO 0.00 -2.63 1.40 0.00 -0.33 0.00 0.00 177.00 175.44 1jgz s ALA 16 N -2.66 3.57 -0.36 -1.55 0.00 -1.26 -4.97 121.76 114.53 1jgz s ALA 16 Ca 0.66 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.80 1jgz s ALA 16 Cb -0.22 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 1jgz s ALA 16 CO 0.58 -0.76 0.46 0.34 0.00 0.00 0.00 175.76 176.38 1jgz s ASP 17 N -0.03 6.26 0.00 0.00 -1.08 -1.26 -4.91 116.67 115.65 1jgz s ASP 17 Ca 0.55 -0.21 0.23 0.00 -0.52 0.00 0.00 52.55 52.59 1jgz s ASP 17 Cb -0.42 -2.24 0.97 0.00 -1.46 0.00 0.00 42.92 39.77 1jgz s ASP 17 CO 0.50 -0.47 1.73 0.18 0.52 0.00 0.00 175.17 177.63 1jgz n LEU 18 N 5.64 0.01 0.00 -1.34 7.99 -1.26 -4.63 117.00 123.42 1jgz n LEU 18 Ca -0.06 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.44 1jgz n LEU 18 Cb 0.49 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1jgz n LEU 18 CO 0.44 -0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.82 1jgz n GLY 19 N 0.85 -2.33 3.63 -0.72 0.00 -1.26 -4.94 105.19 100.43 1jgz n GLY 19 Ca 0.05 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 1jgz n GLY 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jgz n MET 20 N -2.11 0.44 -0.04 1.61 2.81 -1.26 -4.99 117.12 113.58 1jgz n MET 20 Ca 0.00 0.21 -0.04 0.00 -1.81 0.00 0.00 57.70 56.06 1jgz n MET 20 Cb 0.00 -2.28 -0.01 0.00 -0.71 0.00 0.00 33.22 30.21 1jgz n MET 20 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1jgz n THR 21 N -2.70 0.82 -3.25 2.03 -1.04 -1.26 -4.99 114.28 103.88 1jgz n THR 21 Ca 0.13 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1jgz n THR 21 Cb 0.50 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1jgz n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jgz n GLU 22 N -3.53 0.00 -0.62 -2.82 -0.58 -1.26 -2.02 120.64 109.82 1jgz n GLU 22 Ca -0.07 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.59 1jgz n GLU 22 Cb 0.25 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.15 1jgz n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jgz n ASP 23 N -2.59 5.22 -4.77 1.62 8.00 -1.07 -4.89 116.55 118.07 1jgz n ASP 23 Ca 0.00 -2.69 -0.38 0.00 0.71 0.00 0.00 54.79 52.43 1jgz n ASP 23 Cb 0.00 -0.95 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 1jgz n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jgz s VAL 24 N -1.19 4.96 -0.83 2.53 1.01 -0.85 -4.87 120.40 121.16 1jgz s VAL 24 Ca 0.17 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 63.03 1jgz s VAL 24 Cb 0.14 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.69 1jgz s VAL 24 CO 0.01 0.44 1.28 0.21 0.00 0.00 0.00 175.10 177.03 1jgz s ASN 25 N -0.25 6.30 0.09 3.32 2.47 -1.26 -4.85 114.94 120.77 1jgz s ASN 25 Ca 0.29 -0.97 0.05 0.00 0.42 0.00 0.00 52.86 52.66 1jgz s ASN 25 Cb -0.17 -2.53 0.29 0.00 -1.45 0.00 0.00 41.25 37.39 1jgz s ASN 25 CO 0.15 -1.62 1.13 0.18 -3.72 0.00 0.00 177.10 173.22 1jgz n LEU 26 N 8.77 0.14 0.26 3.21 4.77 -1.26 -1.29 117.00 131.59 1jgz n LEU 26 Ca 0.13 0.53 0.17 0.00 -0.03 0.00 0.00 56.01 56.81 1jgz n LEU 26 Cb 0.49 -0.54 0.77 0.00 -2.33 0.00 0.00 43.42 41.81 1jgz n LEU 26 CO 0.67 -0.57 1.00 0.00 -1.33 0.00 0.00 177.39 177.16 1jgz h ALA 27 N 1.83 1.00 0.00 -1.18 0.00 -2.02 -3.04 119.26 115.84 1jgz h ALA 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1jgz h ALA 27 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jgz h ALA 27 CO 0.00 0.00 -1.83 0.09 0.00 0.00 0.00 179.25 177.51 1jgz n ASN 28 N -2.86 0.32 -4.72 0.00 3.02 -0.41 -4.94 115.26 105.67 1jgz n ASN 28 Ca -0.00 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 1jgz n ASN 28 Cb 0.21 1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 40.46 1jgz n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jgz s ARG 29 N -3.10 4.27 0.00 3.52 0.52 -1.15 -2.82 118.95 120.20 1jgz s ARG 29 Ca -0.06 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1jgz s ARG 29 Cb 0.10 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1jgz s ARG 29 CO 0.85 -0.48 0.00 -1.13 0.02 0.00 0.00 175.30 174.56 1jgz n SER 30 N 3.48 0.00 -4.74 0.23 3.41 0.17 -4.92 113.62 111.24 1jgz n SER 30 Ca 0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.39 1jgz n SER 30 Cb 0.40 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1jgz n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jgz s GLY 31 N -0.86 1.96 -0.44 5.00 0.00 -1.26 -4.66 107.32 107.05 1jgz s GLY 31 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 44.72 43.50 1jgz s GLY 31 CO 0.00 -0.77 2.30 -0.62 0.00 0.00 0.00 173.10 174.01 1jgz n VAL 32 N 1.28 0.12 -0.40 1.40 0.31 -1.26 -4.41 118.33 115.38 1jgz n VAL 32 Ca -0.14 -0.36 -0.04 0.00 -0.01 0.00 0.00 64.34 63.79 1jgz n VAL 32 Cb 0.53 -1.84 0.04 0.00 -0.91 0.00 0.00 33.84 31.66 1jgz n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jgz n GLY 33 N 6.36 -2.91 0.00 2.92 0.00 -0.16 -4.94 105.19 106.47 1jgz n GLY 33 Ca 0.42 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1jgz n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgz n PRO 34 N -2.17 -0.96 -4.36 1.61 -0.04 -1.26 -4.59 135.00 123.23 1jgz n PRO 34 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1jgz n PRO 34 Cb 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.49 1jgz n PRO 34 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jgz s PHE 35 N -0.86 1.95 -0.26 0.54 0.40 -1.26 -1.94 117.98 116.55 1jgz s PHE 35 Ca 0.00 -0.84 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1jgz s PHE 35 Cb 0.00 -1.78 0.14 0.00 0.51 0.00 0.00 43.02 41.89 1jgz s PHE 35 CO 0.00 0.00 0.38 0.45 0.70 0.00 0.00 175.22 176.75 1jgz s SER 36 N -4.01 0.48 0.43 1.36 0.15 0.14 -4.88 113.70 107.38 1jgz s SER 36 Ca 0.23 -0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.86 1jgz s SER 36 Cb 0.01 1.02 0.96 0.00 -1.71 0.00 0.00 66.02 66.30 1jgz s SER 36 CO 0.13 -0.33 2.07 0.74 1.20 0.00 0.00 173.24 177.05 1jgz h THR 37 N 6.19 1.06 0.36 6.45 2.02 -1.97 0.05 112.91 127.06 1jgz h THR 37 Ca -0.15 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1jgz h THR 37 Cb 1.13 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1jgz h THR 37 CO 0.28 0.08 -0.21 0.25 0.37 0.00 0.00 175.52 176.29 1jgz h LEU 38 N 0.43 -0.52 -0.99 2.58 5.85 -1.97 -2.96 115.31 117.74 1jgz h LEU 38 Ca 0.14 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1jgz h LEU 38 Cb 0.02 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 1jgz h LEU 38 CO -0.03 -0.33 0.62 -0.07 -0.34 0.00 0.00 178.44 178.29 1jgz h LEU 39 N -0.53 0.90 0.00 2.25 3.38 -1.80 -1.60 115.31 117.92 1jgz h LEU 39 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jgz h LEU 39 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jgz h LEU 39 CO 0.06 0.48 0.10 0.61 0.09 0.00 0.00 178.44 179.78 1jgz n GLY 40 N -1.34 -0.37 0.08 0.83 0.00 -0.02 -1.02 105.19 103.36 1jgz n GLY 40 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1jgz n GLY 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jgz h TRP 41 N 0.00 0.18 0.00 1.61 -0.00 -1.21 -3.39 115.95 113.15 1jgz h TRP 41 Ca 0.00 -0.13 -0.39 0.00 -0.00 0.00 0.00 58.89 58.36 1jgz h TRP 41 Cb 0.20 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.16 29.28 1jgz h TRP 41 CO 0.00 1.14 -2.48 0.34 -0.00 0.00 0.00 178.44 177.44 1jgz n PHE 42 N -3.34 0.02 0.00 0.49 7.35 -0.18 -1.95 117.46 119.86 1jgz n PHE 42 Ca -0.09 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 1jgz n PHE 42 Cb 1.00 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1jgz n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jgz n GLY 43 N 2.18 4.42 3.76 7.13 0.00 -0.24 -4.94 105.19 117.51 1jgz n GLY 43 Ca -0.46 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1jgz n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jgz s ASN 44 N 1.64 5.85 -0.02 1.61 0.01 -1.26 -3.85 114.94 118.92 1jgz s ASN 44 Ca 0.00 2.42 0.18 0.00 -0.71 0.00 0.00 52.86 54.76 1jgz s ASN 44 Cb 0.00 -2.61 -0.26 0.00 0.41 0.00 0.00 41.25 38.79 1jgz s ASN 44 CO 0.00 -1.15 0.48 0.00 -1.51 0.00 0.00 177.10 174.93 1jgz n ALA 45 N -0.74 3.06 -2.54 0.60 0.00 -1.26 -3.69 120.51 115.93 1jgz n ALA 45 Ca 0.09 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1jgz n ALA 45 Cb 0.47 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1jgz n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jgz s GLN 46 N -3.14 4.41 -0.32 0.00 0.74 -1.26 -0.69 119.66 119.40 1jgz s GLN 46 Ca -0.04 1.59 -0.09 0.00 0.05 0.00 0.00 55.36 56.88 1jgz s GLN 46 Cb 0.12 -3.51 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1jgz s GLN 46 CO 0.76 -0.33 0.13 -0.51 -0.55 0.00 0.00 175.29 174.79 1jgz s LEU 47 N 1.81 4.15 0.00 3.68 1.43 -0.82 -4.99 118.68 123.94 1jgz s LEU 47 Ca 0.54 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1jgz s LEU 47 Cb -0.24 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1jgz s LEU 47 CO 0.23 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1jgz n GLY 48 N 4.93 -0.72 3.82 -3.19 0.00 -1.26 -0.98 105.19 107.79 1jgz n GLY 48 Ca -0.14 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1jgz n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgz s PRO 49 N -1.24 1.26 0.03 1.61 0.04 -1.26 -4.57 135.00 130.87 1jgz s PRO 49 Ca 0.00 0.17 0.09 0.00 0.04 0.00 0.00 61.00 61.30 1jgz s PRO 49 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1jgz s PRO 49 CO 0.00 -2.10 -0.25 -1.50 0.04 0.00 0.00 177.00 173.19 1jgz s ILE 50 N -3.40 2.20 -0.53 0.56 2.07 -1.26 -4.88 121.20 115.95 1jgz s ILE 50 Ca 0.64 -1.30 -0.19 0.00 -1.41 0.00 0.00 60.65 58.40 1jgz s ILE 50 Cb -0.13 -1.84 0.07 0.00 0.13 0.00 0.00 42.46 40.70 1jgz s ILE 50 CO 0.52 0.42 0.64 -0.47 -1.91 0.00 0.00 174.94 174.14 1jgz s TYR 51 N -0.77 3.04 0.00 3.50 5.04 -1.26 0.42 117.35 127.31 1jgz s TYR 51 Ca 0.12 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 1jgz s TYR 51 Cb -0.10 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.54 1jgz s TYR 51 CO 0.02 -1.11 0.01 -0.11 -1.34 0.00 0.00 175.55 173.02 1jgz n LEU 52 N 6.20 2.03 -0.82 6.97 7.94 -1.13 -4.94 117.00 133.24 1jgz n LEU 52 Ca -0.08 0.01 0.10 0.00 -1.11 0.00 0.00 56.01 54.93 1jgz n LEU 52 Cb 0.44 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.35 1jgz n LEU 52 CO 0.55 0.00 -0.33 0.61 -1.11 0.00 0.00 177.39 177.12 1jgz n GLY 53 N 2.60 -2.78 0.00 -3.96 0.00 -1.26 -3.87 105.19 95.92 1jgz n GLY 53 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1jgz n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jgz n SER 54 N -3.42 0.00 -0.31 1.61 7.64 -1.26 -2.39 113.62 115.50 1jgz n SER 54 Ca -0.04 0.32 0.30 0.00 1.01 0.00 0.00 58.87 60.45 1jgz n SER 54 Cb 0.39 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.14 1jgz n SER 54 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1jgz n LEU 55 N -0.68 0.31 -0.25 -3.43 7.94 -1.26 0.39 117.00 120.02 1jgz n LEU 55 Ca 0.00 1.61 -0.00 0.00 -1.11 0.00 0.00 56.01 56.50 1jgz n LEU 55 Cb 0.00 -0.77 0.21 0.00 0.53 0.00 0.00 43.42 43.38 1jgz n LEU 55 CO 0.00 -1.79 1.23 1.23 -1.11 0.00 0.00 177.39 176.95 1jgz h GLY 56 N 0.00 1.13 0.75 -3.96 0.00 -1.58 -2.06 103.07 97.35 1jgz h GLY 56 Ca 0.81 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 1jgz h GLY 56 CO -0.76 0.43 -0.09 -2.08 0.00 0.00 0.00 176.54 174.05 1jgz h VAL 57 N 1.08 1.32 -0.36 4.60 2.07 0.10 0.94 116.25 126.01 1jgz h VAL 57 Ca 0.29 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.73 1jgz h VAL 57 Cb -0.08 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1jgz h VAL 57 CO -0.06 0.34 -0.22 0.25 0.02 0.00 0.00 177.57 177.91 1jgz h LEU 58 N -0.01 -0.72 0.54 2.57 5.85 -1.12 0.69 115.31 123.11 1jgz h LEU 58 Ca 0.03 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1jgz h LEU 58 Cb 0.57 0.37 0.01 0.00 0.37 0.00 0.00 40.66 41.98 1jgz h LEU 58 CO 0.03 -0.25 -0.26 0.28 -0.34 0.00 0.00 178.44 177.90 1jgz h SER 59 N -0.16 -0.62 -1.00 1.25 0.02 -1.35 0.99 113.55 112.68 1jgz h SER 59 Ca 0.18 -0.05 0.24 0.00 -0.84 0.00 0.00 61.79 61.32 1jgz h SER 59 Cb 0.44 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.02 1jgz h SER 59 CO -0.45 -0.30 0.59 0.25 -1.14 0.00 0.00 176.83 175.77 1jgz h LEU 60 N -0.94 0.67 0.09 5.07 5.85 -0.40 1.54 115.31 127.20 1jgz h LEU 60 Ca -0.07 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1jgz h LEU 60 Cb 0.63 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1jgz h LEU 60 CO 0.12 0.12 -0.04 0.15 -0.34 0.00 0.00 178.44 178.45 1jgz h PHE 61 N 0.60 -0.12 -0.49 1.25 3.57 0.51 -2.54 116.94 119.72 1jgz h PHE 61 Ca 0.63 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.27 1jgz h PHE 61 Cb 1.17 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1jgz h PHE 61 CO -0.01 -0.07 0.89 1.03 -2.23 0.00 0.00 178.31 177.91 1jgz h SER 62 N -0.43 0.00 0.03 0.41 0.87 0.15 0.32 113.55 114.90 1jgz h SER 62 Ca -0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1jgz h SER 62 Cb 0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1jgz h SER 62 CO 0.02 0.00 -0.43 1.23 -0.53 0.00 0.00 176.83 177.12 1jgz h GLY 63 N 0.00 0.08 1.53 5.77 0.00 0.22 -3.22 103.07 107.44 1jgz h GLY 63 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1jgz h GLY 63 CO -0.00 0.17 0.20 1.41 0.00 0.00 0.00 176.54 178.31 1jgz h LEU 64 N -0.85 0.55 -0.03 3.11 3.38 0.03 -1.86 115.31 119.64 1jgz h LEU 64 Ca -0.10 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1jgz h LEU 64 Cb 1.21 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1jgz h LEU 64 CO -0.00 0.49 -0.14 0.24 0.09 0.00 0.00 178.44 179.11 1jgz h MET 65 N 0.62 -0.22 -0.57 1.13 2.86 -1.37 0.24 114.93 117.62 1jgz h MET 65 Ca 0.15 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1jgz h MET 65 Cb 0.09 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1jgz h MET 65 CO -0.02 -0.14 0.27 2.35 1.06 0.00 0.00 176.91 180.43 1jgz h TRP 66 N -0.22 0.49 -0.72 -0.22 7.01 -1.44 0.22 115.95 121.07 1jgz h TRP 66 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1jgz h TRP 66 Cb 0.30 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1jgz h TRP 66 CO -0.21 0.21 0.38 0.35 -2.79 0.00 0.00 178.44 176.37 1jgz h PHE 67 N 0.51 1.01 -0.05 2.65 3.57 -0.54 -3.00 116.94 121.09 1jgz h PHE 67 Ca 0.27 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1jgz h PHE 67 Cb 0.22 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1jgz h PHE 67 CO -0.12 0.73 -0.30 0.74 -2.23 0.00 0.00 178.31 177.13 1jgz h PHE 68 N 1.00 0.40 -0.96 0.41 0.04 0.02 -2.06 116.94 115.79 1jgz h PHE 68 Ca 0.25 -0.18 0.30 0.00 2.80 0.00 0.00 57.97 61.14 1jgz h PHE 68 Cb 0.07 -0.06 -0.17 0.00 2.20 0.00 0.00 35.95 37.99 1jgz h PHE 68 CO 0.00 0.92 0.24 1.15 -0.60 0.00 0.00 178.31 180.02 1jgz h THR 69 N -0.23 0.11 0.11 -1.55 2.02 -0.54 0.16 112.91 112.99 1jgz h THR 69 Ca -0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1jgz h THR 69 Cb 0.97 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jgz h THR 69 CO 0.06 0.01 -0.05 0.40 0.37 0.00 0.00 175.52 176.31 1jgz h ILE 70 N 0.08 1.07 -1.06 3.11 2.04 -1.48 -3.06 117.51 118.20 1jgz h ILE 70 Ca 0.65 -1.25 0.28 0.00 1.00 0.00 0.00 64.86 65.55 1jgz h ILE 70 Cb 1.47 1.79 -0.10 0.00 -0.74 0.00 0.00 36.82 39.25 1jgz h ILE 70 CO -0.80 0.28 0.68 1.23 0.00 0.00 0.00 178.15 179.54 1jgz h GLY 71 N -0.78 1.25 0.86 5.37 0.00 -0.16 -0.29 103.07 109.31 1jgz h GLY 71 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1jgz h GLY 71 CO 0.02 -0.17 -0.24 -2.22 0.00 0.00 0.00 176.54 173.94 1jgz h ILE 72 N 0.37 0.48 -0.98 2.60 1.08 -0.83 -2.44 117.51 117.80 1jgz h ILE 72 Ca 0.62 -0.24 0.18 0.00 -0.39 0.00 0.00 64.86 65.02 1jgz h ILE 72 Cb 1.59 0.59 -0.10 0.00 -3.07 0.00 0.00 36.82 35.83 1jgz h ILE 72 CO -0.32 0.04 0.58 -0.25 -0.69 0.00 0.00 178.15 177.51 1jgz h TRP 73 N -0.81 1.02 -0.85 1.37 2.91 -0.99 0.20 115.95 118.79 1jgz h TRP 73 Ca -0.07 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.00 1jgz h TRP 73 Cb 0.57 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 28.88 1jgz h TRP 73 CO -0.01 0.23 0.56 0.74 -1.03 0.00 0.00 178.44 178.94 1jgz h PHE 74 N 0.75 1.07 -0.00 2.65 -1.00 -1.11 -0.44 116.94 118.86 1jgz h PHE 74 Ca 0.56 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.36 1jgz h PHE 74 Cb 0.84 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 1jgz h PHE 74 CO -0.02 0.68 0.00 -1.49 -1.61 0.00 0.00 178.31 175.86 1jgz h TRP 75 N 1.16 0.00 -0.78 -0.55 4.06 -0.21 1.01 115.95 120.64 1jgz h TRP 75 Ca 0.31 -0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.44 1jgz h TRP 75 Cb -0.13 -0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 27.90 1jgz h TRP 75 CO -0.01 0.19 0.11 -0.22 -3.56 0.00 0.00 178.44 174.95 1jgz h LYS 76 N -0.19 0.17 -0.22 0.49 1.63 -0.49 0.33 116.57 118.29 1jgz h LYS 76 Ca 0.00 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.61 1jgz h LYS 76 Cb 0.19 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1jgz h LYS 76 CO -0.00 0.11 -0.60 1.96 -3.45 0.00 0.00 179.45 177.47 1jgz h GLN 77 N 0.18 0.73 0.00 1.90 4.20 -0.55 -2.86 115.11 118.70 1jgz h GLN 77 Ca 0.45 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1jgz h GLN 77 Cb 0.81 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1jgz h GLN 77 CO -0.62 1.11 0.00 0.00 -0.67 0.00 0.00 178.83 178.66 1jgz n ALA 78 N -2.56 1.50 -1.48 3.87 0.00 0.35 -4.79 120.51 117.40 1jgz n ALA 78 Ca -0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1jgz n ALA 78 Cb 0.65 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1jgz n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgz n GLY 79 N -0.57 1.09 4.06 0.00 0.00 0.17 -2.43 105.19 107.51 1jgz n GLY 79 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1jgz n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jgz n TRP 80 N -2.86 0.00 -2.55 1.61 7.02 -0.70 -4.92 117.44 115.04 1jgz n TRP 80 Ca -0.12 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.93 1jgz n TRP 80 Cb 0.43 -0.87 -0.02 0.00 -2.42 0.00 0.00 31.31 28.43 1jgz n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1jgz s ASN 81 N -2.45 6.95 0.45 -0.99 3.84 -1.02 -4.92 114.94 116.80 1jgz s ASN 81 Ca 0.00 1.36 0.11 0.00 0.21 0.00 0.00 52.86 54.54 1jgz s ASN 81 Cb 0.00 -2.54 1.02 0.00 -0.55 0.00 0.00 41.25 39.18 1jgz s ASN 81 CO 0.00 -0.81 2.08 -0.65 -2.79 0.00 0.00 177.10 174.93 1jgz h PRO 82 N 8.10 0.34 -0.25 0.43 0.11 -1.91 -1.29 132.00 137.54 1jgz h PRO 82 Ca -0.23 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.68 1jgz h PRO 82 Cb 1.08 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jgz h PRO 82 CO 1.00 0.22 -0.57 0.00 -0.21 0.00 0.00 178.00 178.44 1jgz h ALA 83 N 1.82 0.53 0.10 -0.75 0.00 -1.94 -1.65 119.26 117.37 1jgz h ALA 83 Ca 0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jgz h ALA 83 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jgz h ALA 83 CO -0.02 0.69 -0.05 0.28 0.00 0.00 0.00 179.25 180.14 1jgz h VAL 84 N 0.58 1.01 -0.33 0.00 2.07 -1.76 -0.87 116.25 116.95 1jgz h VAL 84 Ca 0.01 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1jgz h VAL 84 Cb 1.16 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 1jgz h VAL 84 CO 0.12 0.10 -0.50 0.15 0.02 0.00 0.00 177.57 177.46 1jgz h PHE 85 N -0.31 -1.52 -0.58 1.57 3.57 -1.14 0.94 116.94 119.47 1jgz h PHE 85 Ca -0.01 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1jgz h PHE 85 Cb 0.26 0.71 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1jgz h PHE 85 CO -0.01 -0.44 0.33 -0.07 -2.23 0.00 0.00 178.31 175.89 1jgz h LEU 86 N -0.38 0.52 0.00 0.59 -0.00 -1.29 -1.82 115.31 112.94 1jgz h LEU 86 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1jgz h LEU 86 Cb 0.54 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1jgz h LEU 86 CO -0.51 0.36 0.00 -1.14 -0.00 0.00 0.00 178.44 177.15 1jgz n ARG 87 N -4.79 0.00 -0.14 1.13 0.63 -0.34 -3.02 116.66 110.14 1jgz n ARG 87 Ca 0.06 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1jgz n ARG 87 Cb 0.11 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.69 1jgz n ARG 87 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jgz n ASP 88 N -1.53 3.18 0.18 6.15 8.00 0.25 -4.43 116.55 128.35 1jgz n ASP 88 Ca 0.00 -1.84 -0.14 0.00 0.71 0.00 0.00 54.79 53.51 1jgz n ASP 88 Cb 0.00 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.43 1jgz n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jgz h LEU 89 N 1.85 -0.47 -1.00 0.64 5.85 -1.23 -2.13 115.31 118.81 1jgz h LEU 89 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jgz h LEU 89 Cb 0.84 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1jgz h LEU 89 CO 0.00 -0.30 0.00 -0.26 -0.34 0.00 0.00 178.44 177.54 1jgz h PHE 90 N -0.46 0.00 0.00 1.25 0.04 -1.86 -3.18 116.94 112.73 1jgz h PHE 90 Ca -0.03 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.48 1jgz h PHE 90 Cb 0.39 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 1jgz h PHE 90 CO -0.10 0.00 -1.53 0.74 -0.60 0.00 0.00 178.31 176.82 1jgz h PHE 91 N 0.00 0.00 -2.54 -0.55 -1.00 -1.72 -2.59 116.94 108.54 1jgz h PHE 91 Ca 0.00 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.42 1jgz h PHE 91 Cb 0.32 0.00 0.20 0.00 3.61 0.00 0.00 35.95 40.08 1jgz h PHE 91 CO 0.00 0.98 -0.39 1.19 -1.61 0.00 0.00 178.31 178.49 1jgz n PHE 92 N -3.11 -2.41 0.00 -0.55 3.72 -0.93 -4.78 117.46 109.40 1jgz n PHE 92 Ca -0.13 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1jgz n PHE 92 Cb 1.02 -1.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 1jgz n PHE 92 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jgz n SER 93 N -3.44 0.00 -4.20 4.37 2.88 -1.26 -4.50 113.62 107.47 1jgz n SER 93 Ca 0.06 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.23 1jgz n SER 93 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1jgz n SER 93 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1jgz s LEU 94 N 0.00 4.75 0.46 2.46 2.96 -0.37 -4.98 118.68 123.96 1jgz s LEU 94 Ca 0.00 -1.55 -0.04 0.00 -0.22 0.00 0.00 54.13 52.32 1jgz s LEU 94 Cb 0.00 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1jgz s LEU 94 CO 0.00 -0.44 0.74 -1.61 -1.32 0.00 0.00 176.35 173.72 1jgz s GLU 95 N 1.29 3.51 0.64 1.98 0.41 -1.26 -2.11 118.70 123.17 1jgz s GLU 95 Ca 0.02 0.08 -0.09 0.00 -0.41 0.00 0.00 54.97 54.57 1jgz s GLU 95 Cb -0.22 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 1jgz s GLU 95 CO -0.00 -0.14 1.00 -1.25 -0.49 0.00 0.00 175.26 174.38 1jgz s PRO 96 N -4.66 3.03 0.44 0.39 0.04 -1.26 -4.37 135.00 128.61 1jgz s PRO 96 Ca 0.46 0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.61 1jgz s PRO 96 Cb -0.10 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 1jgz s PRO 96 CO 0.43 -0.80 0.67 -0.35 0.04 0.00 0.00 177.00 176.98 1jgz n PRO 97 N -2.78 0.75 -1.34 0.56 -0.04 -1.24 -4.58 135.00 126.32 1jgz n PRO 97 Ca 0.06 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.44 1jgz n PRO 97 Cb 0.57 -1.67 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1jgz n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgz n ALA 98 N -0.90 0.43 -0.33 0.55 0.00 -1.20 -3.86 120.51 115.20 1jgz n ALA 98 Ca 0.11 -0.20 0.23 0.00 0.00 0.00 0.00 53.44 53.58 1jgz n ALA 98 Cb 0.41 -2.28 0.46 0.00 0.00 0.00 0.00 19.45 18.04 1jgz n ALA 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jgz h PRO 99 N -0.36 0.27 -0.34 0.00 0.11 -1.94 -1.62 132.00 128.13 1jgz h PRO 99 Ca -0.48 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1jgz h PRO 99 Cb 1.31 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.28 1jgz h PRO 99 CO 0.49 0.18 -0.37 0.93 -0.21 0.00 0.00 178.00 179.02 1jgz h GLU 100 N 0.28 -0.31 0.00 1.05 3.07 -2.01 0.21 114.58 116.87 1jgz h GLU 100 Ca 0.72 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.60 1jgz h GLU 100 Cb 1.65 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 1jgz h GLU 100 CO -0.63 -0.21 0.13 0.66 -1.40 0.00 0.00 179.01 177.56 1jgz n TYR 101 N -5.42 0.12 -0.17 4.33 4.01 -0.61 -4.85 117.16 114.57 1jgz n TYR 101 Ca -0.00 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1jgz n TYR 101 Cb 0.34 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1jgz n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgz n GLY 102 N -1.36 2.62 1.93 2.72 0.00 0.72 -0.84 105.19 110.98 1jgz n GLY 102 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 1jgz n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgz n LEU 103 N 0.00 5.83 -4.90 0.99 4.77 -1.13 -2.15 117.00 120.40 1jgz n LEU 103 Ca 0.00 -3.01 -0.28 0.00 -0.03 0.00 0.00 56.01 52.69 1jgz n LEU 103 Cb 0.00 -0.72 0.03 0.00 -2.33 0.00 0.00 43.42 40.40 1jgz n LEU 103 CO 0.00 0.73 0.60 -0.94 -1.33 0.00 0.00 177.39 176.45 1jgz s SER 104 N -0.86 5.61 -0.23 -1.43 1.04 -0.02 -4.97 113.70 112.84 1jgz s SER 104 Ca 0.53 0.88 0.14 0.00 0.48 0.00 0.00 55.95 57.98 1jgz s SER 104 Cb 0.41 -1.84 0.56 0.00 0.10 0.00 0.00 66.02 65.26 1jgz s SER 104 CO 0.14 -1.11 1.50 0.49 0.98 0.00 0.00 173.24 175.23 1jgz n PHE 105 N -2.70 1.23 0.09 5.02 3.01 -1.26 -4.59 117.46 118.26 1jgz n PHE 105 Ca 0.05 -1.10 0.04 0.00 1.01 0.00 0.00 57.45 57.45 1jgz n PHE 105 Cb 0.57 -0.42 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1jgz n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jgz h ALA 106 N 1.77 0.65 -1.45 4.37 0.00 -1.93 -3.48 119.26 119.19 1jgz h ALA 106 Ca 0.09 -0.52 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 1jgz h ALA 106 Cb 1.65 0.11 0.11 0.00 0.00 0.00 0.00 17.79 19.65 1jgz h ALA 106 CO 0.35 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 180.02 1jgz n ALA 107 N -2.29 -1.67 -2.03 0.00 0.00 -1.26 -4.93 120.51 108.32 1jgz n ALA 107 Ca -0.04 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1jgz n ALA 107 Cb 0.74 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1jgz n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jgz s PRO 108 N -1.15 3.59 0.02 0.00 0.04 -1.26 -3.90 135.00 132.34 1jgz s PRO 108 Ca 0.63 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1jgz s PRO 108 Cb -0.84 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 1jgz s PRO 108 CO 0.57 -0.41 0.72 1.28 0.04 0.00 0.00 177.00 179.21 1jgz n LEU 109 N -2.49 -0.13 -1.00 -3.56 4.77 -1.26 0.15 117.00 113.49 1jgz n LEU 109 Ca 0.04 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1jgz n LEU 109 Cb 0.54 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1jgz n LEU 109 CO 0.56 -0.44 0.35 0.29 -1.33 0.00 0.00 177.39 176.82 1jgz n LYS 110 N -3.05 0.71 -0.14 3.23 5.02 -1.26 -2.31 118.16 120.36 1jgz n LYS 110 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jgz n LYS 110 Cb 0.03 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1jgz n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jgz n GLU 111 N 0.65 0.00 0.00 1.97 -0.58 0.12 -4.98 120.64 117.82 1jgz n GLU 111 Ca 0.00 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 1jgz n GLU 111 Cb 0.35 -0.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1jgz n GLU 111 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jgz n GLY 112 N 0.00 1.15 0.29 0.62 0.00 -0.98 -3.23 105.19 103.04 1jgz n GLY 112 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1jgz n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgz h GLY 113 N 0.00 0.90 1.10 -0.02 0.00 -1.08 -1.70 103.07 102.27 1jgz h GLY 113 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 1jgz h GLY 113 CO 0.00 0.57 -0.11 -2.00 0.00 0.00 0.00 176.54 175.00 1jgz h LEU 114 N 0.78 1.05 -0.46 3.11 5.85 -1.74 -2.54 115.31 121.36 1jgz h LEU 114 Ca 0.15 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1jgz h LEU 114 Cb 0.48 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1jgz h LEU 114 CO 0.02 1.16 0.29 -0.25 -0.34 0.00 0.00 178.44 179.32 1jgz h TRP 115 N 0.93 0.55 -0.67 1.25 7.01 -1.72 -2.21 115.95 121.08 1jgz h TRP 115 Ca 0.14 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.26 1jgz h TRP 115 Cb 0.68 -0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.49 1jgz h TRP 115 CO 0.05 0.33 0.30 -0.07 -2.79 0.00 0.00 178.44 176.25 1jgz h LEU 116 N 0.59 0.34 0.62 0.65 3.38 -1.03 0.63 115.31 120.49 1jgz h LEU 116 Ca 0.18 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1jgz h LEU 116 Cb -0.03 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1jgz h LEU 116 CO -0.06 0.19 -0.30 0.40 0.09 0.00 0.00 178.44 178.76 1jgz h ILE 117 N 0.50 0.00 -0.78 1.22 2.04 -1.04 -0.70 117.51 118.75 1jgz h ILE 117 Ca 0.34 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 66.32 1jgz h ILE 117 Cb 0.40 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.34 1jgz h ILE 117 CO -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.64 1jgz h ALA 118 N -1.58 0.47 -0.49 1.87 0.00 -1.25 0.61 119.26 118.89 1jgz h ALA 118 Ca -0.09 0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1jgz h ALA 118 Cb 0.64 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1jgz h ALA 118 CO 0.14 -0.43 0.07 0.77 0.00 0.00 0.00 179.25 179.80 1jgz h SER 119 N -0.01 -0.06 -0.21 0.00 0.02 -0.77 -0.48 113.55 112.04 1jgz h SER 119 Ca 0.37 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.47 1jgz h SER 119 Cb 0.58 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.19 1jgz h SER 119 CO -0.81 -0.00 -0.29 0.15 -1.14 0.00 0.00 176.83 174.74 1jgz h PHE 120 N 0.20 -0.78 -0.13 3.45 3.57 0.18 0.11 116.94 123.54 1jgz h PHE 120 Ca 0.25 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1jgz h PHE 120 Cb 0.35 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1jgz h PHE 120 CO -0.25 -0.36 -0.20 0.74 -2.23 0.00 0.00 178.31 176.01 1jgz h PHE 121 N -0.32 -0.51 -0.45 0.41 0.04 -0.47 -1.93 116.94 113.71 1jgz h PHE 121 Ca 0.12 0.03 0.08 0.00 2.80 0.00 0.00 57.97 61.00 1jgz h PHE 121 Cb 0.51 0.25 -0.10 0.00 2.20 0.00 0.00 35.95 38.81 1jgz h PHE 121 CO -0.42 -0.27 -0.34 1.98 -0.60 0.00 0.00 178.31 178.66 1jgz h MET 122 N -0.25 -0.23 -0.87 1.51 1.85 -0.28 0.11 114.93 116.76 1jgz h MET 122 Ca 0.10 0.02 0.22 0.00 -0.61 0.00 0.00 59.70 59.42 1jgz h MET 122 Cb 0.39 0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.43 1jgz h MET 122 CO -0.27 -0.15 0.60 0.35 -0.40 0.00 0.00 176.91 177.03 1jgz h PHE 123 N -0.24 0.30 0.01 1.39 3.04 -0.08 -1.65 116.94 119.71 1jgz h PHE 123 Ca 0.18 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 1jgz h PHE 123 Cb 0.55 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.97 1jgz h PHE 123 CO -0.57 0.08 -0.01 0.28 -2.02 0.00 0.00 178.31 176.07 1jgz h VAL 124 N 0.22 1.10 -0.69 1.41 2.07 -0.29 -3.15 116.25 116.93 1jgz h VAL 124 Ca 0.44 -1.79 0.14 0.00 0.82 0.00 0.00 66.70 66.31 1jgz h VAL 124 Cb 1.36 2.07 -0.13 0.00 -1.52 0.00 0.00 31.29 33.07 1jgz h VAL 124 CO -0.10 0.37 -0.15 0.00 0.02 0.00 0.00 177.57 177.70 1jgz h ALA 125 N -0.36 0.48 0.07 1.67 0.00 -0.40 0.13 119.26 120.85 1jgz h ALA 125 Ca -0.00 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jgz h ALA 125 Cb 0.61 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jgz h ALA 125 CO 0.00 -0.42 -0.04 0.28 0.00 0.00 0.00 179.25 179.08 1jgz h VAL 126 N 0.01 1.18 -0.77 0.00 2.07 -1.47 -1.11 116.25 116.15 1jgz h VAL 126 Ca 0.33 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1jgz h VAL 126 Cb 0.52 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1jgz h VAL 126 CO -0.70 0.23 0.34 -0.50 0.02 0.00 0.00 177.57 176.97 1jgz h TRP 127 N -0.54 1.13 -0.44 1.57 4.06 -1.45 0.24 115.95 120.52 1jgz h TRP 127 Ca -0.01 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.79 1jgz h TRP 127 Cb 0.46 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1jgz h TRP 127 CO 0.07 0.83 -0.06 0.66 -3.56 0.00 0.00 178.44 176.39 1jgz h SER 128 N 1.11 0.80 0.23 -3.49 4.64 -0.78 -1.73 113.55 114.32 1jgz h SER 128 Ca 0.26 -0.34 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1jgz h SER 128 Cb 0.15 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1jgz h SER 128 CO -0.03 0.95 -0.04 -0.25 -0.87 0.00 0.00 176.83 176.60 1jgz h TRP 129 N 0.64 0.00 -0.06 4.77 2.91 -0.52 -2.07 115.95 121.62 1jgz h TRP 129 Ca 0.12 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.02 1jgz h TRP 129 Cb 0.57 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1jgz h TRP 129 CO 0.04 0.04 -0.40 2.35 -1.03 0.00 0.00 178.44 179.44 1jgz h TRP 130 N 0.00 0.52 -0.56 2.65 7.01 -0.08 -2.85 115.95 122.63 1jgz h TRP 130 Ca -0.00 -0.24 -0.02 0.00 2.11 0.00 0.00 58.89 60.74 1jgz h TRP 130 Cb 0.16 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 1jgz h TRP 130 CO 0.00 1.00 0.29 0.78 -2.79 0.00 0.00 178.44 177.72 1jgz h GLY 131 N -0.10 0.84 0.60 2.65 0.00 -0.91 -2.30 103.07 103.84 1jgz h GLY 131 Ca -0.03 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 46.99 1jgz h GLY 131 CO 0.08 0.36 0.30 -0.09 0.00 0.00 0.00 176.54 177.20 1jgz h ARG 132 N 0.79 0.54 0.00 4.80 2.43 -1.34 -0.21 114.38 121.38 1jgz h ARG 132 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1jgz h ARG 132 Cb 0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1jgz h ARG 132 CO -0.03 0.36 0.00 1.79 -1.51 0.00 0.00 179.97 180.58 1jgz h THR 133 N 0.56 0.00 0.19 0.20 1.35 -1.18 -1.30 112.91 112.72 1jgz h THR 133 Ca 0.29 -0.41 -0.34 0.00 -0.55 0.00 0.00 66.41 65.39 1jgz h THR 133 Cb 0.24 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1jgz h THR 133 CO -0.22 0.00 -1.69 0.22 -0.25 0.00 0.00 175.52 173.58 1jgz h TYR 134 N 0.00 0.71 -0.13 4.73 5.03 -0.84 -3.28 116.97 123.19 1jgz h TYR 134 Ca 0.00 -0.52 -0.04 0.00 2.58 0.00 0.00 58.73 60.75 1jgz h TYR 134 Cb 0.45 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.70 1jgz h TYR 134 CO 0.00 1.66 -0.07 -0.07 -1.32 0.00 0.00 178.16 178.36 1jgz h LEU 135 N 0.06 0.29 -2.09 2.82 4.07 -0.93 -1.17 115.31 118.37 1jgz h LEU 135 Ca -0.33 -0.43 0.07 0.00 0.08 0.00 0.00 57.88 57.27 1jgz h LEU 135 Cb 2.07 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.72 1jgz h LEU 135 CO 0.17 0.65 0.21 0.03 -1.08 0.00 0.00 178.44 178.42 1jgz h ARG 136 N -0.07 0.00 0.18 1.13 2.47 -1.41 0.37 114.38 117.04 1jgz h ARG 136 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1jgz h ARG 136 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1jgz h ARG 136 CO 0.02 0.00 -0.09 0.00 0.56 0.00 0.00 179.97 180.46 1jgz h ALA 137 N 1.82 -0.25 -0.98 0.04 0.00 -1.56 -3.32 119.26 115.02 1jgz h ALA 137 Ca 0.12 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1jgz h ALA 137 Cb 0.54 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1jgz h ALA 137 CO -0.00 -0.32 0.60 0.37 0.00 0.00 0.00 179.25 179.90 1jgz h GLN 138 N -0.89 0.89 0.00 0.00 4.15 0.28 -1.04 115.11 118.50 1jgz h GLN 138 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1jgz h GLN 138 Cb 0.51 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1jgz h GLN 138 CO 0.04 0.59 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 1jgz n ALA 139 N -2.35 1.36 -0.02 3.38 0.00 0.11 -2.08 120.51 120.90 1jgz n ALA 139 Ca 0.19 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.75 1jgz n ALA 139 Cb 0.38 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.64 1jgz n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jgz n LEU 140 N -1.99 2.36 -0.83 0.00 4.77 -0.41 -2.60 117.00 118.30 1jgz n LEU 140 Ca 0.01 -1.79 -0.11 0.00 -0.03 0.00 0.00 56.01 54.10 1jgz n LEU 140 Cb 0.12 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1jgz n LEU 140 CO 0.12 0.58 -0.10 0.61 -1.33 0.00 0.00 177.39 177.26 1jgz n GLY 141 N 0.19 1.21 3.92 -0.72 0.00 -0.88 -5.01 105.19 103.90 1jgz n GLY 141 Ca 0.07 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1jgz n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jgz s MET 142 N -2.87 3.55 0.98 1.61 -1.94 -1.10 -5.04 119.30 114.50 1jgz s MET 142 Ca 0.00 -0.12 -0.12 0.00 -1.71 0.00 0.00 55.69 53.75 1jgz s MET 142 Cb 0.00 -2.62 0.18 0.00 2.01 0.00 0.00 34.83 34.41 1jgz s MET 142 CO 0.00 0.13 1.08 0.20 -0.01 0.00 0.00 175.02 176.42 1jgz s GLY 143 N -3.68 1.61 -0.37 -0.03 0.00 -1.26 -4.42 107.32 99.17 1jgz s GLY 143 Ca 0.43 0.07 0.06 0.00 0.00 0.00 0.00 44.72 45.28 1jgz s GLY 143 CO 0.35 0.61 1.81 0.28 0.00 0.00 0.00 173.10 176.15 1jgz n LYS 144 N -4.29 2.80 -0.25 2.90 4.76 -1.26 -4.61 118.16 118.20 1jgz n LYS 144 Ca 0.07 -2.85 0.06 0.00 -2.87 0.00 0.00 58.31 52.72 1jgz n LYS 144 Cb 0.54 -2.13 0.18 0.00 -1.84 0.00 0.00 35.03 31.78 1jgz n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jgz h HIS 145 N 1.64 0.23 -0.69 2.13 3.86 -1.98 -1.10 115.15 119.24 1jgz h HIS 145 Ca 0.45 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.70 1jgz h HIS 145 Cb 2.54 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 30.99 1jgz h HIS 145 CO 1.38 -0.11 0.42 1.15 0.86 0.00 0.00 177.93 181.63 1jgz h THR 146 N 0.24 1.19 -0.26 2.45 2.02 -1.92 -0.98 112.91 115.65 1jgz h THR 146 Ca 0.42 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1jgz h THR 146 Cb 0.73 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1jgz h THR 146 CO -0.54 0.20 -0.31 0.00 0.37 0.00 0.00 175.52 175.24 1jgz h ALA 147 N 1.52 0.39 -0.11 6.16 0.00 -1.46 -2.00 119.26 123.76 1jgz h ALA 147 Ca 0.25 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1jgz h ALA 147 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1jgz h ALA 147 CO -0.05 0.43 -0.34 -1.49 0.00 0.00 0.00 179.25 177.80 1jgz h TRP 148 N 0.40 0.24 -0.05 0.00 -0.00 -1.13 -2.05 115.95 113.36 1jgz h TRP 148 Ca 0.04 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.89 58.83 1jgz h TRP 148 Cb 0.89 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 29.99 1jgz h TRP 148 CO 0.08 0.53 -0.12 0.00 -0.00 0.00 0.00 178.44 178.93 1jgz h ALA 149 N 1.46 0.09 0.00 1.49 0.00 -1.14 -2.96 119.26 118.20 1jgz h ALA 149 Ca 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jgz h ALA 149 Cb 0.70 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jgz h ALA 149 CO 0.05 -0.02 -0.00 0.35 0.00 0.00 0.00 179.25 179.63 1jgz h PHE 150 N -0.34 0.00 -0.23 0.00 3.57 -1.24 -1.74 116.94 116.96 1jgz h PHE 150 Ca -0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1jgz h PHE 150 Cb 0.72 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1jgz h PHE 150 CO 0.12 0.00 -0.36 1.25 -2.23 0.00 0.00 178.31 177.09 1jgz h LEU 151 N 0.00 0.71 -1.20 0.59 5.85 -1.20 -2.20 115.31 117.87 1jgz h LEU 151 Ca -0.00 -0.52 0.13 0.00 0.84 0.00 0.00 57.88 58.33 1jgz h LEU 151 Cb 0.03 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1jgz h LEU 151 CO 0.00 1.10 0.59 -1.28 -0.34 0.00 0.00 178.44 178.51 1jgz h SER 152 N 0.35 0.75 -0.27 1.25 0.87 -1.26 0.19 113.55 115.42 1jgz h SER 152 Ca 0.02 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 1jgz h SER 152 Cb 0.95 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1jgz h SER 152 CO 0.08 0.39 -0.37 0.00 -0.53 0.00 0.00 176.83 176.40 1jgz h ALA 153 N 1.58 0.41 -0.38 6.23 0.00 -1.52 -2.87 119.26 122.70 1jgz h ALA 153 Ca 0.46 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jgz h ALA 153 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1jgz h ALA 153 CO -0.22 0.49 0.21 0.82 0.00 0.00 0.00 179.25 180.55 1jgz h ILE 154 N 0.46 1.12 -0.15 0.00 2.04 -0.36 -2.54 117.51 118.08 1jgz h ILE 154 Ca 0.03 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1jgz h ILE 154 Cb 0.96 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1jgz h ILE 154 CO 0.09 0.13 -0.39 -0.25 0.00 0.00 0.00 178.15 177.73 1jgz h TRP 155 N 0.52 -1.16 0.18 1.37 -0.00 -0.49 0.92 115.95 117.29 1jgz h TRP 155 Ca 0.14 0.05 0.01 0.00 -0.00 0.00 0.00 58.89 59.08 1jgz h TRP 155 Cb 0.01 0.53 -0.02 0.00 -0.00 0.00 0.00 29.16 29.67 1jgz h TRP 155 CO 0.00 -0.37 -0.19 1.25 -0.00 0.00 0.00 178.44 179.12 1jgz h LEU 156 N -0.37 -0.52 -0.90 0.65 5.85 -1.53 -0.36 115.31 118.12 1jgz h LEU 156 Ca 0.03 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1jgz h LEU 156 Cb 0.46 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.58 1jgz h LEU 156 CO -0.34 -0.29 0.49 -0.25 -0.34 0.00 0.00 178.44 177.72 1jgz h TRP 157 N -0.41 0.86 0.00 1.25 7.01 -1.11 0.18 115.95 123.73 1jgz h TRP 157 Ca 0.01 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 1jgz h TRP 157 Cb 0.39 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1jgz h TRP 157 CO -0.16 0.19 -0.24 0.52 -2.79 0.00 0.00 178.44 175.96 1jgz h MET 158 N 0.66 0.00 0.14 2.65 2.86 0.16 -3.19 114.93 118.20 1jgz h MET 158 Ca 0.50 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.90 1jgz h MET 158 Cb 0.75 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.41 1jgz h MET 158 CO -0.38 0.24 -1.19 0.28 1.06 0.00 0.00 176.91 176.93 1jgz h VAL 159 N 0.00 1.23 -0.43 -2.22 2.07 0.94 -0.93 116.25 116.91 1jgz h VAL 159 Ca -0.00 -2.47 0.04 0.00 0.82 0.00 0.00 66.70 65.08 1jgz h VAL 159 Cb 0.66 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1jgz h VAL 159 CO 0.03 0.72 0.29 -0.07 0.02 0.00 0.00 177.57 178.56 1jgz h LEU 160 N -0.30 0.39 -0.37 2.57 3.38 -0.90 -2.53 115.31 117.54 1jgz h LEU 160 Ca -0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jgz h LEU 160 Cb 1.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1jgz h LEU 160 CO 0.11 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.52 1jgz n GLY 161 N -1.50 0.06 1.13 0.83 0.00 -1.21 -4.11 105.19 100.40 1jgz n GLY 161 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1jgz n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jgz n PHE 162 N -0.14 0.00 0.08 1.61 7.35 -1.06 -4.75 117.46 120.55 1jgz n PHE 162 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1jgz n PHE 162 Cb 0.09 0.08 -0.02 0.00 0.35 0.00 0.00 39.48 39.98 1jgz n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1jgz h ILE 163 N 0.00 0.00 -0.74 -2.13 2.04 -1.27 -3.20 117.51 112.21 1jgz h ILE 163 Ca 0.00 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.44 1jgz h ILE 163 Cb 0.83 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1jgz h ILE 163 CO 0.00 0.00 0.38 -0.09 0.00 0.00 0.00 178.15 178.44 1jgz h ARG 164 N -0.79 0.62 0.00 2.37 2.43 -1.71 0.20 114.38 117.51 1jgz h ARG 164 Ca -0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1jgz h ARG 164 Cb 0.21 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1jgz h ARG 164 CO 0.05 0.41 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.52 1jgz h PRO 165 N 0.64 0.00 0.05 0.20 0.11 -1.78 0.73 132.00 131.95 1jgz h PRO 165 Ca 0.37 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.25 1jgz h PRO 165 Cb 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1jgz h PRO 165 CO -0.27 0.05 -1.04 0.82 -0.21 0.00 0.00 178.00 177.35 1jgz h ILE 166 N 0.00 1.55 0.00 4.15 2.04 -1.01 -1.87 117.51 122.37 1jgz h ILE 166 Ca -0.00 -2.97 -0.11 0.00 1.00 0.00 0.00 64.86 62.78 1jgz h ILE 166 Cb 0.09 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1jgz h ILE 166 CO 0.01 0.86 -0.51 -0.07 0.00 0.00 0.00 178.15 178.44 1jgz h LEU 167 N 0.07 0.00 0.07 1.44 3.38 -0.53 -3.26 115.31 116.49 1jgz h LEU 167 Ca -0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1jgz h LEU 167 Cb 1.73 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.50 1jgz h LEU 167 CO 0.16 0.51 -0.84 0.24 0.09 0.00 0.00 178.44 178.60 1jgz h MET 168 N 0.00 0.43 0.00 1.13 2.86 -0.86 -3.49 114.93 115.01 1jgz h MET 168 Ca -0.01 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 1jgz h MET 168 Cb 1.32 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1jgz h MET 168 CO 0.07 1.22 0.00 0.41 1.06 0.00 0.00 176.91 179.67 1jgz n GLY 169 N 1.34 1.58 3.19 8.32 0.00 -0.74 -5.10 105.19 113.77 1jgz n GLY 169 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1jgz n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgz s SER 170 N -1.06 0.23 0.00 1.61 1.04 -0.97 -2.86 113.70 111.68 1jgz s SER 170 Ca 0.00 -1.25 0.29 0.00 0.48 0.00 0.00 55.95 55.47 1jgz s SER 170 Cb 0.00 0.34 1.66 0.00 0.10 0.00 0.00 66.02 68.12 1jgz s SER 170 CO 0.00 -0.79 2.08 0.79 0.98 0.00 0.00 173.24 176.30 1jgz n TRP 171 N -0.17 0.01 -0.13 5.02 5.03 -0.91 -3.53 117.44 122.75 1jgz n TRP 171 Ca -0.03 -0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.37 1jgz n TRP 171 Cb 0.64 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.90 1jgz n TRP 171 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 1jgz h SER 172 N 0.31 0.94 0.06 -0.99 0.87 -1.84 -3.23 113.55 109.68 1jgz h SER 172 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1jgz h SER 172 Cb 0.07 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1jgz h SER 172 CO 0.00 1.18 0.00 -0.62 -0.53 0.00 0.00 176.83 176.86 1jgz n GLU 173 N -4.14 0.10 -1.92 2.24 -0.58 -1.23 -4.79 120.64 110.31 1jgz n GLU 173 Ca -0.02 0.58 -0.29 0.00 -0.42 0.00 0.00 57.16 57.01 1jgz n GLU 173 Cb 0.49 -1.82 0.14 0.00 -0.57 0.00 0.00 31.44 29.68 1jgz n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jgz s ALA 174 N -3.37 2.42 0.01 0.62 0.00 -1.22 -4.80 121.76 115.41 1jgz s ALA 174 Ca -0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 1jgz s ALA 174 Cb 0.05 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1jgz s ALA 174 CO 0.16 -2.11 0.60 0.08 0.00 0.00 0.00 175.76 174.49 1jgz s VAL 175 N -3.75 4.88 0.14 0.00 1.01 -1.26 -4.93 120.40 116.47 1jgz s VAL 175 Ca 0.69 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 63.67 1jgz s VAL 175 Cb -0.07 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1jgz s VAL 175 CO 0.51 0.43 0.85 -2.16 0.00 0.00 0.00 175.10 174.73 1jgz s PRO 176 N -0.28 4.64 -0.50 2.72 0.04 -1.26 -4.87 135.00 135.48 1jgz s PRO 176 Ca 0.31 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 1jgz s PRO 176 Cb -0.19 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1jgz s PRO 176 CO 0.18 0.40 1.39 0.71 0.04 0.00 0.00 177.00 179.72 1jgz s TYR 177 N -0.60 2.36 0.00 0.56 2.02 -0.90 -4.21 117.35 116.58 1jgz s TYR 177 Ca 0.40 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1jgz s TYR 177 Cb -0.23 -4.37 0.00 0.00 -0.40 0.00 0.00 41.96 36.96 1jgz s TYR 177 CO 0.27 -1.92 0.00 0.41 -1.57 0.00 0.00 175.55 172.74 1jgz n GLY 178 N 5.17 1.21 0.00 0.71 0.00 -1.26 -1.24 105.19 109.79 1jgz n GLY 178 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1jgz n GLY 178 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jgz n ILE 179 N -0.06 0.00 0.19 -0.61 2.08 -1.26 -1.58 119.36 118.12 1jgz n ILE 179 Ca 0.00 1.15 0.04 0.00 0.56 0.00 0.00 62.75 64.51 1jgz n ILE 179 Cb 0.00 -2.11 0.37 0.00 -0.75 0.00 0.00 39.64 37.15 1jgz n ILE 179 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1jgz h PHE 180 N 0.00 0.00 -0.04 1.39 0.04 -1.78 -3.16 116.94 113.39 1jgz h PHE 180 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1jgz h PHE 180 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1jgz h PHE 180 CO 0.14 0.37 -0.09 1.03 -0.60 0.00 0.00 178.31 179.17 1jgz h SER 181 N 0.00 -0.27 0.89 2.17 0.87 -1.76 -2.43 113.55 113.02 1jgz h SER 181 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1jgz h SER 181 Cb 0.76 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1jgz h SER 181 CO 0.05 -0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 1jgz n HIS 182 N -5.22 0.16 0.12 2.24 1.44 -0.62 -2.51 115.22 110.84 1jgz n HIS 182 Ca -0.05 0.05 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1jgz n HIS 182 Cb 0.14 -0.59 -0.14 0.00 0.12 0.00 0.00 29.99 29.53 1jgz n HIS 182 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1jgz h LEU 183 N 0.00 0.81 -0.36 2.39 3.38 -1.42 -3.10 115.31 117.02 1jgz h LEU 183 Ca 0.00 -0.81 -0.11 0.00 0.09 0.00 0.00 57.88 57.05 1jgz h LEU 183 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1jgz h LEU 183 CO 0.00 1.62 -0.22 0.44 0.09 0.00 0.00 178.44 180.37 1jgz h ASP 184 N 0.20 0.81 -0.63 -0.43 3.32 -1.31 -2.29 116.42 116.09 1jgz h ASP 184 Ca -0.21 -0.42 0.13 0.00 0.02 0.00 0.00 57.03 56.55 1jgz h ASP 184 Cb 2.02 -0.23 -0.11 0.00 0.22 0.00 0.00 39.33 41.24 1jgz h ASP 184 CO 0.25 1.06 0.02 -0.25 -1.72 0.00 0.00 179.24 178.60 1jgz h TRP 185 N 0.57 -0.00 0.65 4.55 7.01 -1.55 0.18 115.95 127.35 1jgz h TRP 185 Ca 0.07 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1jgz h TRP 185 Cb 0.77 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1jgz h TRP 185 CO 0.06 -0.16 -0.41 1.15 -2.79 0.00 0.00 178.44 176.30 1jgz h THR 186 N 0.14 0.18 -1.00 2.65 2.02 -1.42 0.23 112.91 115.71 1jgz h THR 186 Ca 0.33 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.72 1jgz h THR 186 Cb 0.55 0.18 -0.11 0.00 -1.74 0.00 0.00 68.15 67.03 1jgz h THR 186 CO -0.53 0.00 0.61 -1.13 0.37 0.00 0.00 175.52 174.85 1jgz h ASN 187 N -1.00 0.73 0.08 4.18 -1.24 -0.75 -1.78 115.58 115.80 1jgz h ASN 187 Ca -0.08 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1jgz h ASN 187 Cb 0.81 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.83 1jgz h ASN 187 CO 0.08 0.24 -0.04 0.78 -1.29 0.00 0.00 177.43 177.20 1jgz h ASN 188 N 0.71 -0.09 -0.68 1.15 4.21 -0.19 -2.82 115.58 117.87 1jgz h ASN 188 Ca 0.58 -0.26 0.13 0.00 1.21 0.00 0.00 56.30 57.96 1jgz h ASN 188 Cb 0.98 0.02 -0.13 0.00 -1.12 0.00 0.00 38.32 38.08 1jgz h ASN 188 CO -0.37 0.22 -0.19 0.15 -1.29 0.00 0.00 177.43 175.95 1jgz h PHE 189 N -0.40 -0.42 0.33 1.19 3.04 0.30 0.27 116.94 121.25 1jgz h PHE 189 Ca -0.01 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1jgz h PHE 189 Cb 0.34 0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 1jgz h PHE 189 CO 0.02 -0.30 -0.46 1.03 -2.02 0.00 0.00 178.31 176.58 1jgz h SER 190 N -0.02 -1.29 -0.50 0.41 0.87 -1.38 -2.24 113.55 109.41 1jgz h SER 190 Ca 0.32 0.12 0.09 0.00 -1.23 0.00 0.00 61.79 61.09 1jgz h SER 190 Cb 0.51 0.45 -0.08 0.00 -0.44 0.00 0.00 62.40 62.84 1jgz h SER 190 CO -0.70 -0.58 0.06 -0.07 -0.53 0.00 0.00 176.83 175.01 1jgz h LEU 191 N -0.83 -0.09 -1.60 2.23 3.38 -1.04 -1.09 115.31 116.27 1jgz h LEU 191 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jgz h LEU 191 Cb 0.77 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1jgz h LEU 191 CO -0.14 -0.02 0.20 0.58 0.09 0.00 0.00 178.44 179.15 1jgz h VAL 192 N 0.18 1.11 -0.54 1.22 2.07 -0.81 -2.82 116.25 116.66 1jgz h VAL 192 Ca 0.25 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1jgz h VAL 192 Cb 0.37 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1jgz h VAL 192 CO -0.37 0.11 0.00 1.41 0.02 0.00 0.00 177.57 178.74 1jgz n HIS 193 N -4.46 0.72 -1.73 1.57 8.25 -0.81 -4.89 115.22 113.87 1jgz n HIS 193 Ca 0.02 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1jgz n HIS 193 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1jgz n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgz n GLY 194 N 1.45 0.93 1.69 -1.41 0.00 -1.01 -1.21 105.19 105.61 1jgz n GLY 194 Ca 0.20 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 1jgz n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jgz n ASN 195 N 0.90 -5.41 0.32 1.61 5.15 -0.48 -3.43 115.26 113.92 1jgz n ASN 195 Ca 0.00 0.90 0.21 0.00 -0.60 0.00 0.00 54.58 55.08 1jgz n ASN 195 Cb 0.35 -3.07 1.07 0.00 -0.53 0.00 0.00 39.78 37.60 1jgz n ASN 195 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jgz h LEU 196 N 2.08 0.00 -0.70 1.20 4.07 -1.88 -2.56 115.31 117.51 1jgz h LEU 196 Ca -0.02 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.05 1jgz h LEU 196 Cb 0.04 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.70 1jgz h LEU 196 CO 0.00 0.01 0.30 -0.26 -1.08 0.00 0.00 178.44 177.41 1jgz h PHE 197 N 0.00 0.53 0.00 1.13 0.04 -1.96 0.49 116.94 117.18 1jgz h PHE 197 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1jgz h PHE 197 Cb 0.12 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1jgz h PHE 197 CO 0.00 0.14 0.00 0.66 -0.60 0.00 0.00 178.31 178.51 1jgz n TYR 198 N -4.95 0.00 -2.76 -0.55 4.01 -0.96 -4.46 117.16 107.50 1jgz n TYR 198 Ca 0.12 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.43 1jgz n TYR 198 Cb 0.33 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 1jgz n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jgz s ASN 199 N -2.85 6.67 0.18 7.72 3.84 0.17 -4.79 114.94 125.87 1jgz s ASN 199 Ca 0.04 0.53 -0.14 0.00 0.21 0.00 0.00 52.86 53.50 1jgz s ASN 199 Cb 0.04 -2.48 0.16 0.00 -0.55 0.00 0.00 41.25 38.41 1jgz s ASN 199 CO 0.10 -0.96 1.71 1.55 -2.79 0.00 0.00 177.10 176.71 1jgz h PRO 200 N 8.66 0.18 -0.76 0.43 0.13 -1.83 -1.78 132.00 137.03 1jgz h PRO 200 Ca -0.23 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1jgz h PRO 200 Cb 1.07 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 1jgz h PRO 200 CO 1.02 0.12 0.50 0.74 -0.23 0.00 0.00 178.00 180.15 1jgz h PHE 201 N 0.18 0.94 0.19 1.56 0.04 -1.92 -1.59 116.94 116.34 1jgz h PHE 201 Ca 0.23 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 1jgz h PHE 201 Cb 0.31 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1jgz h PHE 201 CO -0.24 0.59 -0.09 1.25 -0.60 0.00 0.00 178.31 179.21 1jgz h HIS 202 N 1.01 -0.23 -0.04 -0.55 2.76 -1.63 0.27 115.15 116.74 1jgz h HIS 202 Ca 0.28 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1jgz h HIS 202 Cb -0.10 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1jgz h HIS 202 CO -0.00 -0.06 0.05 0.78 -1.30 0.00 0.00 177.93 177.40 1jgz h GLY 203 N -0.36 0.00 0.28 5.26 0.00 -1.07 -1.99 103.07 105.18 1jgz h GLY 203 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1jgz h GLY 203 CO 0.04 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.54 1jgz h LEU 204 N 0.00 -0.10 -0.41 3.11 5.85 -0.39 -2.92 115.31 120.44 1jgz h LEU 204 Ca 0.02 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.33 1jgz h LEU 204 Cb 0.11 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1jgz h LEU 204 CO -0.00 0.54 -0.34 -1.28 -0.34 0.00 0.00 178.44 177.02 1jgz h SER 205 N -0.84 -1.13 -0.64 1.25 0.87 0.08 0.34 113.55 113.48 1jgz h SER 205 Ca -0.01 0.20 0.13 0.00 -1.23 0.00 0.00 61.79 60.87 1jgz h SER 205 Cb 0.59 0.53 -0.09 0.00 -0.44 0.00 0.00 62.40 62.98 1jgz h SER 205 CO 0.02 -0.33 0.12 0.40 -0.53 0.00 0.00 176.83 176.52 1jgz h ILE 206 N -0.26 0.59 -0.58 2.23 2.04 -1.48 -0.10 117.51 119.96 1jgz h ILE 206 Ca 0.17 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1jgz h ILE 206 Cb 0.55 0.32 -0.11 0.00 -0.74 0.00 0.00 36.82 36.84 1jgz h ILE 206 CO -0.55 0.04 -0.18 0.00 0.00 0.00 0.00 178.15 177.46 1jgz h ALA 207 N 1.52 0.30 -0.19 1.87 0.00 -0.75 0.16 119.26 122.18 1jgz h ALA 207 Ca 0.34 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.34 1jgz h ALA 207 Cb 0.53 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1jgz h ALA 207 CO -0.45 -0.48 -0.41 0.74 0.00 0.00 0.00 179.25 178.66 1jgz h PHE 208 N -0.04 0.53 -0.51 0.00 0.04 -0.43 0.15 116.94 116.68 1jgz h PHE 208 Ca 0.27 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 1jgz h PHE 208 Cb 0.46 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1jgz h PHE 208 CO -0.51 0.79 0.25 1.25 -0.60 0.00 0.00 178.31 179.49 1jgz h LEU 209 N 0.37 0.66 -0.64 1.54 5.85 0.02 0.35 115.31 123.45 1jgz h LEU 209 Ca 0.03 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 1jgz h LEU 209 Cb 0.88 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1jgz h LEU 209 CO 0.07 0.60 -0.14 1.88 -0.34 0.00 0.00 178.44 180.51 1jgz h TYR 210 N 0.67 1.02 -0.89 1.25 0.05 -0.47 -2.77 116.97 115.83 1jgz h TYR 210 Ca 0.17 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.76 1jgz h TYR 210 Cb 0.11 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 1jgz h TYR 210 CO -0.01 0.99 0.59 0.78 -1.05 0.00 0.00 178.16 179.46 1jgz h GLY 211 N 0.95 1.27 0.84 3.88 0.00 0.34 -1.62 103.07 108.73 1jgz h GLY 211 Ca 0.12 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.02 1jgz h GLY 211 CO 0.05 0.43 0.15 1.76 0.00 0.00 0.00 176.54 178.94 1jgz h SER 212 N 1.18 0.22 0.16 0.19 0.02 -0.07 0.36 113.55 115.61 1jgz h SER 212 Ca 0.34 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 1jgz h SER 212 Cb -0.09 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1jgz h SER 212 CO -0.09 0.17 -0.30 0.00 -1.14 0.00 0.00 176.83 175.47 1jgz h ALA 213 N 1.17 1.28 -0.07 3.77 0.00 -1.31 0.89 119.26 124.99 1jgz h ALA 213 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jgz h ALA 213 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jgz h ALA 213 CO -0.10 0.49 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 1jgz h LEU 214 N 0.20 0.13 0.04 0.00 5.85 -0.49 -2.09 115.31 118.94 1jgz h LEU 214 Ca 0.03 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1jgz h LEU 214 Cb 0.63 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1jgz h LEU 214 CO 0.05 0.43 -0.02 0.25 -0.34 0.00 0.00 178.44 178.81 1jgz h LEU 215 N -0.18 -0.05 -1.56 2.25 5.85 -0.14 -1.75 115.31 119.74 1jgz h LEU 215 Ca 0.02 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1jgz h LEU 215 Cb 0.37 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1jgz h LEU 215 CO 0.00 0.43 0.07 0.15 -0.34 0.00 0.00 178.44 178.75 1jgz h PHE 216 N -0.53 0.35 -0.54 1.25 3.04 -0.92 0.48 116.94 120.06 1jgz h PHE 216 Ca -0.01 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 1jgz h PHE 216 Cb 0.48 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 1jgz h PHE 216 CO 0.09 0.31 -0.10 0.00 -2.02 0.00 0.00 178.31 176.59 1jgz h ALA 217 N 1.72 0.80 0.46 2.41 0.00 -1.32 0.62 119.26 123.97 1jgz h ALA 217 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1jgz h ALA 217 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jgz h ALA 217 CO -0.00 0.67 -0.22 0.52 0.00 0.00 0.00 179.25 180.21 1jgz h MET 218 N 0.90 -0.60 -0.56 0.00 2.86 -0.26 -2.61 114.93 114.67 1jgz h MET 218 Ca 0.14 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.92 1jgz h MET 218 Cb 0.66 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.38 1jgz h MET 218 CO 0.05 -0.31 0.13 1.25 1.06 0.00 0.00 176.91 179.08 1jgz h HIS 219 N -1.05 0.21 0.47 -0.22 -0.00 -0.09 -1.63 115.15 112.83 1jgz h HIS 219 Ca -0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1jgz h HIS 219 Cb 0.57 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1jgz h HIS 219 CO 0.02 -0.00 -0.35 0.78 -0.00 0.00 0.00 177.93 178.37 1jgz h GLY 220 N 0.27 -0.88 0.91 5.26 0.00 -0.93 -2.45 103.07 105.25 1jgz h GLY 220 Ca 0.28 0.40 0.04 0.00 0.00 0.00 0.00 47.33 48.05 1jgz h GLY 220 CO -0.36 -0.32 0.64 0.00 0.00 0.00 0.00 176.54 176.50 1jgz h ALA 221 N -0.39 1.37 0.43 3.60 0.00 -1.23 -2.51 119.26 120.52 1jgz h ALA 221 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jgz h ALA 221 Cb 0.68 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jgz h ALA 221 CO 0.01 0.53 -0.41 1.15 0.00 0.00 0.00 179.25 180.53 1jgz h THR 222 N 1.23 0.00 -0.65 0.00 2.02 -1.10 0.24 112.91 114.65 1jgz h THR 222 Ca 0.39 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.71 1jgz h THR 222 Cb 0.01 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.31 1jgz h THR 222 CO -0.12 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.15 1jgz h ILE 223 N -0.83 0.44 -0.27 3.11 1.08 -1.31 0.69 117.51 120.41 1jgz h ILE 223 Ca -0.05 -0.03 -0.06 0.00 -0.39 0.00 0.00 64.86 64.32 1jgz h ILE 223 Cb 0.71 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1jgz h ILE 223 CO -0.04 0.02 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.29 1jgz h LEU 224 N 0.09 0.42 -1.54 1.44 3.38 -1.15 -0.98 115.31 116.97 1jgz h LEU 224 Ca 0.34 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1jgz h LEU 224 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jgz h LEU 224 CO -0.58 0.55 -0.11 0.00 0.09 0.00 0.00 178.44 178.39 1jgz h ALA 225 N 1.51 1.63 -0.35 1.53 0.00 0.38 -2.52 119.26 121.44 1jgz h ALA 225 Ca 0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1jgz h ALA 225 Cb 0.40 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1jgz h ALA 225 CO 0.02 0.27 -0.02 1.33 0.00 0.00 0.00 179.25 180.85 1jgz n VAL 226 N -4.33 2.49 1.24 0.00 0.24 -0.35 -4.49 118.33 113.13 1jgz n VAL 226 Ca -0.01 -2.44 0.14 0.00 -2.04 0.00 0.00 64.34 59.99 1jgz n VAL 226 Cb 0.23 -0.31 0.70 0.00 -1.47 0.00 0.00 33.84 32.99 1jgz n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1jgz n SER 227 N -0.95 0.00 0.00 -1.34 3.41 -0.42 -2.07 113.62 112.25 1jgz n SER 227 Ca 0.31 0.11 0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1jgz n SER 227 Cb 1.02 -0.37 0.88 0.00 -0.26 0.00 0.00 64.21 65.47 1jgz n SER 227 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1jgz n ARG 228 N -1.37 0.81 -0.91 4.33 1.85 -1.26 -2.22 116.66 117.88 1jgz n ARG 228 Ca 0.11 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.02 1jgz n ARG 228 Cb 0.28 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.33 1jgz n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jgz n PHE 229 N -1.09 0.00 -3.77 2.89 3.72 -0.96 -4.97 117.46 113.28 1jgz n PHE 229 Ca 0.21 -1.14 -0.25 0.00 -0.05 0.00 0.00 57.45 56.21 1jgz n PHE 229 Cb 0.15 -0.21 0.04 0.00 -0.94 0.00 0.00 39.48 38.52 1jgz n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jgz n GLY 230 N -0.55 -0.42 0.30 1.37 0.00 -0.94 -4.45 105.19 100.50 1jgz n GLY 230 Ca 0.14 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.27 1jgz n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgz h GLY 231 N -2.09 1.06 1.68 -0.02 0.00 -1.58 -3.14 103.07 98.98 1jgz h GLY 231 Ca -0.59 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.02 1jgz h GLY 231 CO 0.61 0.67 0.12 -1.84 0.00 0.00 0.00 176.54 176.09 1jgz n GLU 232 N -4.20 0.11 -1.32 4.80 0.00 -1.26 -3.05 120.64 115.72 1jgz n GLU 232 Ca 0.03 0.60 -0.26 0.00 0.00 0.00 0.00 57.16 57.53 1jgz n GLU 232 Cb 0.31 -1.99 -0.09 0.00 0.00 0.00 0.00 31.44 29.68 1jgz n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jgz n ARG 233 N -2.13 2.94 -0.21 3.44 1.74 -1.19 -4.77 116.66 116.48 1jgz n ARG 233 Ca -0.01 -1.94 -0.05 0.00 -0.77 0.00 0.00 57.85 55.08 1jgz n ARG 233 Cb 0.14 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.24 1jgz n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jgz h GLU 234 N 3.80 -0.16 -0.84 5.56 5.08 -1.84 -2.52 114.58 123.67 1jgz h GLU 234 Ca 0.50 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 59.05 1jgz h GLU 234 Cb 0.84 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.02 1jgz h GLU 234 CO 0.97 -0.10 0.35 -0.07 -1.00 0.00 0.00 179.01 179.16 1jgz h LEU 235 N -0.16 0.31 -0.62 1.33 3.38 -1.92 -1.52 115.31 116.11 1jgz h LEU 235 Ca 0.23 0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.19 1jgz h LEU 235 Cb 0.55 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1jgz h LEU 235 CO -0.69 0.06 -0.43 -0.08 0.09 0.00 0.00 178.44 177.38 1jgz h GLU 236 N 0.43 0.59 0.00 1.13 4.57 -1.84 -2.09 114.58 117.36 1jgz h GLU 236 Ca 0.49 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1jgz h GLU 236 Cb 0.84 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1jgz h GLU 236 CO -0.47 0.91 0.00 1.96 -1.18 0.00 0.00 179.01 180.23 1jgz h GLN 237 N 0.48 0.00 0.14 1.92 1.08 -1.14 0.90 115.11 118.48 1jgz h GLN 237 Ca 0.03 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.94 1jgz h GLN 237 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1jgz h GLN 237 CO 0.09 0.00 -1.38 0.82 -0.95 0.00 0.00 178.83 177.41 1jgz h ILE 238 N 0.00 1.35 0.11 2.54 2.04 -0.90 -2.71 117.51 119.93 1jgz h ILE 238 Ca 0.00 -2.93 -0.21 0.00 1.00 0.00 0.00 64.86 62.72 1jgz h ILE 238 Cb 0.40 2.88 0.02 0.00 -0.74 0.00 0.00 36.82 39.39 1jgz h ILE 238 CO 0.00 0.86 -0.91 0.00 0.00 0.00 0.00 178.15 178.10 1jgz h ALA 239 N 0.51 -0.04 -2.35 1.87 0.00 -0.50 -3.42 119.26 115.32 1jgz h ALA 239 Ca -0.19 -0.69 -0.49 0.00 0.00 0.00 0.00 54.91 53.54 1jgz h ALA 239 Cb 2.01 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 19.53 1jgz h ALA 239 CO 0.19 0.46 -0.77 0.34 0.00 0.00 0.00 179.25 179.47 1jgz s ASP 240 N -7.06 2.29 0.22 0.00 2.15 0.30 -5.10 116.67 109.47 1jgz s ASP 240 Ca -0.12 -1.81 -0.31 0.00 0.43 0.00 0.00 52.55 50.74 1jgz s ASP 240 Cb 0.03 0.01 -0.15 0.00 -0.30 0.00 0.00 42.92 42.51 1jgz s ASP 240 CO 0.86 -0.31 1.18 -1.14 -0.17 0.00 0.00 175.17 175.59 1jgz n ARG 241 N 4.29 1.44 -2.80 4.34 0.63 -1.02 -4.29 116.66 119.24 1jgz n ARG 241 Ca 0.09 0.51 -0.09 0.00 -0.92 0.00 0.00 57.85 57.44 1jgz n ARG 241 Cb 0.41 -2.01 -0.02 0.00 0.45 0.00 0.00 32.46 31.29 1jgz n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jgz n GLY 242 N 1.80 3.93 0.29 5.14 0.00 -1.26 -5.01 105.19 110.09 1jgz n GLY 242 Ca 0.12 -2.14 0.01 0.00 0.00 0.00 0.00 46.02 44.02 1jgz n GLY 242 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jgz h THR 243 N 1.14 1.16 -0.78 2.61 2.02 -1.95 -2.09 112.91 115.02 1jgz h THR 243 Ca -0.12 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 66.66 1jgz h THR 243 Cb 0.39 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 1jgz h THR 243 CO 0.19 0.19 0.42 0.00 0.37 0.00 0.00 175.52 176.70 1jgz h ALA 244 N 1.60 1.10 0.00 6.16 0.00 -1.88 0.18 119.26 126.42 1jgz h ALA 244 Ca 0.14 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1jgz h ALA 244 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jgz h ALA 244 CO -0.01 0.03 -0.60 0.00 0.00 0.00 0.00 179.25 178.67 1jgz h ALA 245 N 1.45 0.84 0.01 0.00 0.00 -1.75 -2.62 119.26 117.19 1jgz h ALA 245 Ca 0.38 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jgz h ALA 245 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jgz h ALA 245 CO -0.26 0.75 -0.01 0.93 0.00 0.00 0.00 179.25 180.66 1jgz h GLU 246 N 0.00 -0.01 -0.87 0.00 5.08 -0.96 -2.81 114.58 115.01 1jgz h GLU 246 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1jgz h GLU 246 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1jgz h GLU 246 CO 0.08 0.78 0.49 0.00 -1.00 0.00 0.00 179.01 179.36 1jgz h ARG 247 N -0.95 1.21 0.08 2.33 3.08 -0.80 -0.45 114.38 118.87 1jgz h ARG 247 Ca -0.00 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1jgz h ARG 247 Cb 0.80 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1jgz h ARG 247 CO 0.00 0.87 -0.17 0.00 -1.07 0.00 0.00 179.97 179.60 1jgz h ALA 248 N 1.32 -0.27 -0.56 0.04 0.00 -1.56 -0.98 119.26 117.25 1jgz h ALA 248 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1jgz h ALA 248 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1jgz h ALA 248 CO -0.05 -0.69 0.32 0.00 0.00 0.00 0.00 179.25 178.83 1jgz h ALA 249 N 0.54 0.72 -0.19 0.00 0.00 -1.20 -3.05 119.26 116.07 1jgz h ALA 249 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1jgz h ALA 249 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jgz h ALA 249 CO -0.11 0.23 -0.28 -0.07 0.00 0.00 0.00 179.25 179.01 1jgz h LEU 250 N 0.76 0.37 -0.67 0.00 3.38 -0.88 -1.77 115.31 116.50 1jgz h LEU 250 Ca 0.20 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1jgz h LEU 250 Cb 0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1jgz h LEU 250 CO -0.03 0.65 0.38 0.15 0.09 0.00 0.00 178.44 179.68 1jgz h PHE 251 N 0.33 0.71 -0.13 1.13 3.04 -1.06 -1.65 116.94 119.30 1jgz h PHE 251 Ca 0.05 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.87 1jgz h PHE 251 Cb 0.67 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 38.97 1jgz h PHE 251 CO 0.02 0.36 -0.52 -1.49 -2.02 0.00 0.00 178.31 174.65 1jgz h TRP 252 N 0.72 0.77 -0.38 0.41 4.06 -1.57 -2.65 115.95 117.31 1jgz h TRP 252 Ca 0.29 -0.33 0.08 0.00 2.06 0.00 0.00 58.89 60.99 1jgz h TRP 252 Cb 0.15 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.10 1jgz h TRP 252 CO -0.07 1.11 -0.20 -0.09 -3.56 0.00 0.00 178.44 175.64 1jgz h ARG 253 N 0.22 -0.12 0.00 0.49 9.65 -1.00 0.55 114.38 124.16 1jgz h ARG 253 Ca -0.03 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 1jgz h ARG 253 Cb 1.16 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 1jgz h ARG 253 CO 0.11 -0.08 -0.29 -1.49 2.80 0.00 0.00 179.97 181.02 1jgz h TRP 254 N -0.13 0.00 0.00 2.20 6.55 -1.35 0.72 115.95 123.94 1jgz h TRP 254 Ca 0.19 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.95 1jgz h TRP 254 Cb 0.42 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1jgz h TRP 254 CO -0.43 0.29 -0.44 1.15 -1.05 0.00 0.00 178.44 177.97 1jgz h THR 255 N 0.00 1.38 0.00 1.49 2.02 -0.70 -3.41 112.91 113.68 1jgz h THR 255 Ca -0.00 -2.20 -0.02 0.00 0.77 0.00 0.00 66.41 64.96 1jgz h THR 255 Cb 0.58 2.77 -0.04 0.00 -1.74 0.00 0.00 68.15 69.72 1jgz h THR 255 CO 0.04 0.47 -0.42 1.15 0.37 0.00 0.00 175.52 177.13 1jgz n MET 256 N -4.56 1.26 0.00 6.66 0.00 0.18 -5.01 117.12 115.65 1jgz n MET 256 Ca -0.17 -2.86 0.00 0.00 0.00 0.00 0.00 57.70 54.67 1jgz n MET 256 Cb 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1jgz n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jgz n GLY 257 N -0.99 1.90 1.77 3.17 0.00 0.24 -4.91 105.19 106.38 1jgz n GLY 257 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1jgz n GLY 257 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jgz n PHE 258 N -0.79 -0.14 -3.72 1.61 -1.74 -1.25 -4.86 117.46 106.56 1jgz n PHE 258 Ca 0.00 -1.45 -0.02 0.00 -0.56 0.00 0.00 57.45 55.42 1jgz n PHE 258 Cb 0.00 0.07 0.01 0.00 1.52 0.00 0.00 39.48 41.08 1jgz n PHE 258 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1jgz n ASN 259 N -2.00 -1.17 -4.13 5.98 6.94 -1.26 -2.48 115.26 117.14 1jgz n ASN 259 Ca 0.00 -1.63 -0.23 0.00 -0.02 0.00 0.00 54.58 52.70 1jgz n ASN 259 Cb 0.33 1.91 -0.09 0.00 -2.36 0.00 0.00 39.78 39.57 1jgz n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jgz s ALA 260 N -1.68 2.50 0.29 -2.53 0.00 -1.26 -5.07 121.76 114.01 1jgz s ALA 260 Ca 0.15 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 50.62 1jgz s ALA 260 Cb -0.02 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1jgz s ALA 260 CO 0.04 -0.39 0.22 0.95 0.00 0.00 0.00 175.76 176.58 1jgz s THR 261 N -3.35 3.97 0.27 0.00 -4.23 -1.26 -4.72 115.64 106.31 1jgz s THR 261 Ca 0.30 -1.43 0.30 0.00 -1.18 0.00 0.00 61.69 59.68 1jgz s THR 261 Cb 0.04 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.91 1jgz s THR 261 CO 0.16 -0.27 1.90 -0.03 -0.54 0.00 0.00 174.62 175.83 1jgz h MET 262 N 1.42 0.00 0.00 3.99 4.05 -1.91 -0.32 114.93 122.16 1jgz h MET 262 Ca -0.47 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 1jgz h MET 262 Cb 1.25 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1jgz h MET 262 CO 0.60 0.00 -1.66 -1.91 0.23 0.00 0.00 176.91 174.17 1jgz n GLU 263 N -2.61 0.49 -0.01 0.39 2.13 -1.26 -4.60 120.64 115.17 1jgz n GLU 263 Ca -0.02 -0.12 -0.16 0.00 0.66 0.00 0.00 57.16 57.51 1jgz n GLU 263 Cb 0.14 -1.34 -0.11 0.00 0.27 0.00 0.00 31.44 30.40 1jgz n GLU 263 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1jgz h GLY 264 N 2.60 0.32 -0.16 8.31 0.00 -1.48 -3.30 103.07 109.36 1jgz h GLY 264 Ca -0.02 -0.57 0.25 0.00 0.00 0.00 0.00 47.33 47.00 1jgz h GLY 264 CO 0.00 0.50 0.62 1.19 0.00 0.00 0.00 176.54 178.86 1jgz h ILE 265 N -0.31 0.52 0.00 2.60 6.09 -1.52 0.85 117.51 125.74 1jgz h ILE 265 Ca -0.05 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 63.23 1jgz h ILE 265 Cb 1.17 -0.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 1jgz h ILE 265 CO 0.09 0.09 -0.15 0.45 -3.07 0.00 0.00 178.15 175.56 1jgz h HIS 266 N 0.52 0.00 -0.04 2.19 3.86 -1.82 -0.24 115.15 119.62 1jgz h HIS 266 Ca 0.63 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.66 1jgz h HIS 266 Cb 1.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.79 1jgz h HIS 266 CO -0.01 0.15 -0.78 0.00 0.86 0.00 0.00 177.93 178.15 1jgz h ARG 267 N 0.00 0.31 0.03 2.45 3.08 0.63 -1.03 114.38 119.85 1jgz h ARG 267 Ca -0.00 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1jgz h ARG 267 Cb 0.70 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1jgz h ARG 267 CO 0.02 0.94 -0.01 -1.49 -1.07 0.00 0.00 179.97 178.36 1jgz h TRP 268 N 0.20 -0.03 -0.48 3.04 4.06 -0.75 -2.93 115.95 119.06 1jgz h TRP 268 Ca -0.04 -0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.01 1jgz h TRP 268 Cb 1.37 0.01 -0.10 0.00 -1.00 0.00 0.00 29.16 29.44 1jgz h TRP 268 CO 0.04 0.33 -0.17 0.00 -3.56 0.00 0.00 178.44 175.07 1jgz h ALA 269 N 0.56 0.22 -0.12 1.49 0.00 -0.98 0.22 119.26 120.65 1jgz h ALA 269 Ca -0.00 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1jgz h ALA 269 Cb 0.38 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1jgz h ALA 269 CO 0.01 -0.51 -0.41 0.97 0.00 0.00 0.00 179.25 179.31 1jgz h ILE 270 N -0.07 1.31 0.00 0.00 2.10 -1.22 -3.00 117.51 116.63 1jgz h ILE 270 Ca 0.23 -1.54 -0.17 0.00 1.08 0.00 0.00 64.86 64.47 1jgz h ILE 270 Cb 0.42 1.68 0.01 0.00 -1.09 0.00 0.00 36.82 37.85 1jgz h ILE 270 CO -0.53 0.46 -0.66 -0.50 -1.08 0.00 0.00 178.15 175.85 1jgz h TRP 271 N 0.22 0.66 -0.15 2.19 4.06 -1.14 -1.98 115.95 119.81 1jgz h TRP 271 Ca 0.02 -0.36 0.03 0.00 2.06 0.00 0.00 58.89 60.64 1jgz h TRP 271 Cb 0.83 -0.08 -0.07 0.00 -1.00 0.00 0.00 29.16 28.85 1jgz h TRP 271 CO 0.02 1.18 -0.53 1.98 -3.56 0.00 0.00 178.44 177.52 1jgz h MET 272 N -0.05 -0.54 0.87 0.49 4.05 -0.60 -1.63 114.93 117.52 1jgz h MET 272 Ca -0.08 0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1jgz h MET 272 Cb 1.36 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.29 1jgz h MET 272 CO 0.13 -0.36 -0.48 0.00 0.23 0.00 0.00 176.91 176.42 1jgz h ALA 273 N -0.24 -1.31 -0.95 0.39 0.00 -1.62 -3.17 119.26 112.36 1jgz h ALA 273 Ca 0.04 -0.27 0.28 0.00 0.00 0.00 0.00 54.91 54.97 1jgz h ALA 273 Cb 0.67 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1jgz h ALA 273 CO -0.45 -1.24 0.41 0.28 0.00 0.00 0.00 179.25 178.25 1jgz h VAL 274 N -1.25 0.30 0.00 0.00 2.07 -1.22 0.95 116.25 117.10 1jgz h VAL 274 Ca -0.12 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1jgz h VAL 274 Cb 0.98 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1jgz h VAL 274 CO 0.15 0.05 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 1jgz h LEU 275 N 0.27 0.00 -0.23 2.57 3.38 -1.27 -2.54 115.31 117.49 1jgz h LEU 275 Ca 0.65 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.67 1jgz h LEU 275 Cb 1.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 1jgz h LEU 275 CO -0.63 0.05 -0.11 0.58 0.09 0.00 0.00 178.44 178.42 1jgz h VAL 276 N 0.00 0.65 -0.01 1.22 2.07 -0.88 0.73 116.25 120.02 1jgz h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jgz h VAL 276 Cb 0.14 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jgz h VAL 276 CO 0.01 0.00 -0.10 0.35 0.02 0.00 0.00 177.57 177.85 1jgz n THR 277 N -5.27 0.00 -0.07 2.57 -2.24 -1.06 -2.67 114.28 105.54 1jgz n THR 277 Ca -0.01 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1jgz n THR 277 Cb 0.19 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1jgz n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jgz h LEU 278 N 2.05 0.00 -0.32 3.22 5.85 -0.87 -3.12 115.31 122.12 1jgz h LEU 278 Ca 0.00 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 1jgz h LEU 278 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1jgz h LEU 278 CO 0.00 0.85 -0.02 0.74 -0.34 0.00 0.00 178.44 179.67 1jgz h THR 279 N -1.00 1.26 -0.84 1.05 2.02 -1.03 -3.10 112.91 111.28 1jgz h THR 279 Ca -0.03 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.22 1jgz h THR 279 Cb 0.63 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 1jgz h THR 279 CO -0.02 0.32 0.51 1.23 0.37 0.00 0.00 175.52 177.94 1jgz h GLY 280 N 0.37 1.26 0.43 2.16 0.00 -1.68 -2.34 103.07 103.26 1jgz h GLY 280 Ca 0.09 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.13 1jgz h GLY 280 CO 0.02 0.25 0.22 -1.33 0.00 0.00 0.00 176.54 175.70 1jgz h GLY 281 N 0.94 0.81 0.97 4.60 0.00 -1.47 -1.95 103.07 106.98 1jgz h GLY 281 Ca 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 1jgz h GLY 281 CO -0.17 -0.01 -0.43 -2.22 0.00 0.00 0.00 176.54 173.71 1jgz h ILE 282 N 0.40 0.09 -0.94 2.60 2.04 -1.42 -2.18 117.51 118.10 1jgz h ILE 282 Ca 0.29 -0.05 0.28 0.00 1.00 0.00 0.00 64.86 66.38 1jgz h ILE 282 Cb 0.34 0.09 -0.15 0.00 -0.74 0.00 0.00 36.82 36.37 1jgz h ILE 282 CO -0.29 0.00 0.39 1.23 0.00 0.00 0.00 178.15 179.48 1jgz h GLY 283 N -1.24 1.70 1.62 5.37 0.00 -1.14 0.24 103.07 109.61 1jgz h GLY 283 Ca -0.12 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 1jgz h GLY 283 CO 0.20 -0.44 -0.67 -2.22 0.00 0.00 0.00 176.54 173.42 1jgz h ILE 284 N 0.25 1.37 -0.20 2.60 1.08 -1.27 -2.83 117.51 118.51 1jgz h ILE 284 Ca 0.64 -2.05 -0.09 0.00 -0.39 0.00 0.00 64.86 62.97 1jgz h ILE 284 Cb 1.39 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 37.16 1jgz h ILE 284 CO -0.64 0.62 -0.27 0.25 -0.69 0.00 0.00 178.15 177.41 1jgz h LEU 285 N 0.27 0.37 0.02 1.44 5.85 0.11 -2.92 115.31 120.45 1jgz h LEU 285 Ca -0.02 -0.12 -0.22 0.00 0.84 0.00 0.00 57.88 58.35 1jgz h LEU 285 Cb 1.22 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1jgz h LEU 285 CO 0.11 0.64 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.72 1jgz h LEU 286 N 0.33 0.07 -9.04 2.25 3.38 -1.33 -3.39 115.31 107.58 1jgz h LEU 286 Ca 0.05 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 1jgz h LEU 286 Cb 0.65 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1jgz h LEU 286 CO 0.05 1.06 1.35 -0.44 0.09 0.00 0.00 178.44 180.54 1jgz s SER 287 N -6.76 5.86 0.00 -0.43 0.01 -1.07 -1.29 113.70 110.02 1jgz s SER 287 Ca 0.00 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.14 1jgz s SER 287 Cb 0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1jgz s SER 287 CO 0.83 -1.64 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1jgz n GLY 288 N 5.31 3.11 0.07 3.44 0.00 0.57 -4.84 105.19 112.84 1jgz n GLY 288 Ca 0.25 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1jgz n GLY 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jgz h THR 289 N 0.00 0.69 0.00 2.61 1.35 -1.67 -3.44 112.91 112.45 1jgz h THR 289 Ca 0.00 -1.63 -0.45 0.00 -0.55 0.00 0.00 66.41 63.78 1jgz h THR 289 Cb 0.00 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 67.77 1jgz h THR 289 CO 0.00 0.23 -2.50 0.52 -0.25 0.00 0.00 175.52 173.53 1jgz n VAL 290 N -4.62 1.47 -3.85 6.82 0.31 -0.42 -4.98 118.33 113.07 1jgz n VAL 290 Ca -0.12 -0.38 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1jgz n VAL 290 Cb 0.35 -1.86 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 1jgz n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jgz s VAL 291 N -2.49 5.37 -0.04 2.52 1.01 -0.59 -5.01 120.40 121.18 1jgz s VAL 291 Ca -0.37 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1jgz s VAL 291 Cb 0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1jgz s VAL 291 CO 0.47 0.28 0.02 0.47 0.00 0.00 0.00 175.10 176.35 1jgz n ASP 292 N 0.82 4.06 -3.69 3.32 8.00 -1.26 -0.32 116.55 127.48 1jgz n ASP 292 Ca -0.09 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 1jgz n ASP 292 Cb 0.52 0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 42.12 1jgz n ASP 292 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1jgz s ASN 293 N -3.39 0.36 0.25 -2.24 3.84 -1.24 -4.38 114.94 108.14 1jgz s ASN 293 Ca -0.02 0.41 0.13 0.00 0.21 0.00 0.00 52.86 53.59 1jgz s ASN 293 Cb 0.01 0.38 0.14 0.00 -0.55 0.00 0.00 41.25 41.23 1jgz s ASN 293 CO 0.16 -0.22 1.47 -0.50 -2.79 0.00 0.00 177.10 175.23 1jgz h TRP 294 N 7.99 0.00 0.13 0.43 4.06 -1.31 -1.50 115.95 125.75 1jgz h TRP 294 Ca -0.23 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.72 1jgz h TRP 294 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1jgz h TRP 294 CO 0.40 0.65 -0.06 -0.92 -3.56 0.00 0.00 178.44 174.95 1jgz h TYR 295 N 0.00 -0.16 -0.02 0.49 3.20 -1.80 0.62 116.97 119.29 1jgz h TYR 295 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1jgz h TYR 295 Cb 1.37 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 1jgz h TYR 295 CO 0.00 0.01 0.02 0.28 -1.64 0.00 0.00 178.16 176.82 1jgz h VAL 296 N -0.29 1.01 -0.32 1.81 2.07 -1.90 -2.43 116.25 116.20 1jgz h VAL 296 Ca -0.02 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1jgz h VAL 296 Cb 0.24 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1jgz h VAL 296 CO 0.03 0.01 0.03 -0.25 0.02 0.00 0.00 177.57 177.41 1jgz h TRP 297 N 0.02 0.04 0.00 1.57 7.01 -1.13 0.62 115.95 124.08 1jgz h TRP 297 Ca 0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1jgz h TRP 297 Cb 0.00 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1jgz h TRP 297 CO -0.08 -0.02 0.21 0.41 -2.79 0.00 0.00 178.44 176.17 1jgz n GLY 298 N -1.23 -0.67 0.13 2.65 0.00 0.21 0.34 105.19 106.63 1jgz n GLY 298 Ca 0.01 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1jgz n GLY 298 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jgz h GLN 299 N 0.00 0.37 0.00 1.61 1.08 -0.55 -3.43 115.11 114.20 1jgz h GLN 299 Ca 0.00 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 1jgz h GLN 299 Cb 0.41 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1jgz h GLN 299 CO 0.00 1.28 -0.70 0.27 -0.95 0.00 0.00 178.83 178.73 1jgz n ASN 300 N -3.57 3.47 -0.30 1.46 6.94 -0.34 -5.05 115.26 117.88 1jgz n ASN 300 Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.35 1jgz n ASN 300 Cb 1.07 0.34 -0.01 0.00 -2.36 0.00 0.00 39.78 38.82 1jgz n ASN 300 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jgz n HIS 301 N -1.57 -0.08 -0.77 -2.53 8.25 0.15 -5.11 115.22 113.56 1jgz n HIS 301 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jgz n HIS 301 Cb 0.35 -1.22 0.00 0.00 1.12 0.00 0.00 29.99 30.24 1jgz n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39