#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg1 n ARG -3 N 0.00 2.19 -0.72 0.54 0.63 -1.26 -2.26 116.66 115.77 2jg1 n ARG -3 Ca 0.00 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 2jg1 n ARG -3 Cb 0.00 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.33 2jg1 n ARG -3 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jg1 n GLY -2 N 3.62 0.62 3.84 5.14 0.00 -1.26 -5.05 105.19 112.10 2jg1 n GLY -2 Ca 0.18 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2jg1 n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jg1 s SER -1 N -2.12 6.17 -0.44 1.61 1.04 -0.96 -5.24 113.70 113.76 2jg1 s SER -1 Ca 0.00 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.01 2jg1 s SER -1 Cb 0.00 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.78 2jg1 s SER -1 CO 0.00 -0.90 0.30 -2.28 0.98 0.00 0.00 173.24 171.34 2jg1 s HIS 0 N -2.88 1.60 -0.03 5.02 5.04 -1.26 -4.89 115.29 117.89 2jg1 s HIS 0 Ca 0.58 -2.32 0.01 0.00 -1.54 0.00 0.00 55.06 51.79 2jg1 s HIS 0 Cb -0.12 -1.45 0.01 0.00 0.04 0.00 0.00 32.58 31.06 2jg1 s HIS 0 CO 0.44 -0.78 -0.05 0.42 -2.34 0.00 0.00 174.74 172.44 2jg1 s ILE 2 N 0.20 0.46 -0.25 0.89 1.01 -0.36 -4.68 121.20 118.48 2jg1 s ILE 2 Ca 0.23 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2jg1 s ILE 2 Cb -0.12 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 2jg1 s ILE 2 CO -0.08 0.18 0.15 -0.22 0.00 0.00 0.00 174.94 174.96 2jg1 s LEU 3 N 0.50 3.96 -0.12 2.97 0.20 -0.37 -0.94 118.68 124.89 2jg1 s LEU 3 Ca -0.06 0.03 -0.10 0.00 0.69 0.00 0.00 54.13 54.69 2jg1 s LEU 3 Cb -0.10 -2.07 -0.05 0.00 -0.43 0.00 0.00 46.19 43.55 2jg1 s LEU 3 CO -0.00 0.03 0.21 0.42 -0.29 0.00 0.00 176.35 176.71 2jg1 s THR 4 N 1.29 5.38 -0.18 3.68 -4.23 -0.44 -0.97 115.64 120.16 2jg1 s THR 4 Ca 0.07 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 2jg1 s THR 4 Cb -0.14 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 2jg1 s THR 4 CO 0.06 0.55 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.85 2jg1 s LEU 5 N -0.57 2.85 -0.44 4.79 1.43 0.09 -1.02 118.68 125.80 2jg1 s LEU 5 Ca 0.16 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2jg1 s LEU 5 Cb -0.13 -1.69 0.13 0.00 0.03 0.00 0.00 46.19 44.53 2jg1 s LEU 5 CO 0.05 0.06 0.22 -0.89 0.23 0.00 0.00 176.35 176.02 2jg1 s THR 6 N 0.99 1.65 -0.07 5.49 2.01 -0.54 -2.57 115.64 122.60 2jg1 s THR 6 Ca -0.01 -2.62 0.27 0.00 0.31 0.00 0.00 61.69 59.64 2jg1 s THR 6 Cb -0.15 -2.16 0.32 0.00 0.01 0.00 0.00 72.50 70.52 2jg1 s THR 6 CO -0.00 -0.85 1.80 -0.07 -0.69 0.00 0.00 174.62 174.81 2jg1 h LEU 7 N 6.82 0.00 -5.75 4.42 3.38 -1.81 -3.23 115.31 119.13 2jg1 h LEU 7 Ca -0.04 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.37 2jg1 h LEU 7 Cb 0.93 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.27 2jg1 h LEU 7 CO 0.53 0.09 -0.82 -3.20 0.09 0.00 0.00 178.44 175.12 2jg1 n ASN 8 N -3.17 2.91 -4.70 -0.43 5.15 -1.24 -4.02 115.26 109.75 2jg1 n ASN 8 Ca 0.02 -3.34 -0.30 0.00 -0.60 0.00 0.00 54.58 50.35 2jg1 n ASN 8 Cb 0.43 -0.61 0.14 0.00 -0.53 0.00 0.00 39.78 39.22 2jg1 n ASN 8 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jg1 s PRO 9 N -2.71 1.30 -0.10 1.20 0.04 -1.25 -4.72 135.00 128.77 2jg1 s PRO 9 Ca 0.43 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 2jg1 s PRO 9 Cb 0.25 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 33.03 2jg1 s PRO 9 CO -0.09 -2.29 0.29 0.45 0.04 0.00 0.00 177.00 175.39 2jg1 s SER 10 N -3.15 -0.28 -0.57 6.66 0.15 -0.62 -3.72 113.70 112.18 2jg1 s SER 10 Ca 0.64 0.51 -0.26 0.00 0.70 0.00 0.00 55.95 57.54 2jg1 s SER 10 Cb -0.20 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2jg1 s SER 10 CO 0.58 -0.14 1.04 -0.69 1.20 0.00 0.00 173.24 175.22 2jg1 s VAL 11 N -0.05 4.24 0.02 4.45 1.01 -0.38 0.14 120.40 129.83 2jg1 s VAL 11 Ca -0.02 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 2jg1 s VAL 11 Cb -0.03 -4.62 -0.06 0.00 0.00 0.00 0.00 36.38 31.68 2jg1 s VAL 11 CO 0.01 -1.23 0.59 -1.81 0.00 0.00 0.00 175.10 172.66 2jg1 s ASP 12 N 2.93 7.00 -0.14 3.32 1.01 -0.74 -2.52 116.67 127.53 2jg1 s ASP 12 Ca 0.35 1.19 0.02 0.00 0.71 0.00 0.00 52.55 54.81 2jg1 s ASP 12 Cb -0.11 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.47 2jg1 s ASP 12 CO 0.21 0.15 -0.20 -0.63 0.21 0.00 0.00 175.17 174.91 2jg1 s ILE 13 N -0.44 2.24 -0.24 0.77 1.01 -0.23 -1.46 121.20 122.84 2jg1 s ILE 13 Ca 0.30 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 2jg1 s ILE 13 Cb -0.19 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2jg1 s ILE 13 CO 0.18 0.54 0.16 -0.55 0.00 0.00 0.00 174.94 175.27 2jg1 s SER 14 N 0.76 6.06 -0.54 3.58 0.15 -0.62 -0.78 113.70 122.31 2jg1 s SER 14 Ca -0.08 0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2jg1 s SER 14 Cb -0.16 -2.10 0.14 0.00 -1.71 0.00 0.00 66.02 62.19 2jg1 s SER 14 CO -0.00 0.05 0.30 -0.31 1.20 0.00 0.00 173.24 174.48 2jg1 s TYR 15 N 1.17 3.28 -0.06 3.44 1.51 0.38 -3.96 117.35 123.11 2jg1 s TYR 15 Ca 0.07 -3.02 -0.30 0.00 -1.01 0.00 0.00 57.07 52.81 2jg1 s TYR 15 Cb -0.14 -2.94 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 2jg1 s TYR 15 CO 0.05 -0.78 1.21 -1.25 -1.11 0.00 0.00 175.55 173.67 2jg1 s PRO 16 N -0.15 4.35 0.09 -1.71 0.04 -1.26 -1.27 135.00 135.08 2jg1 s PRO 16 Ca 0.17 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2jg1 s PRO 16 Cb -0.24 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 2jg1 s PRO 16 CO -0.01 -0.46 -0.22 -0.51 0.04 0.00 0.00 177.00 175.84 2jg1 s LEU 17 N 2.26 2.27 0.19 -3.56 1.43 0.64 -4.93 118.68 116.99 2jg1 s LEU 17 Ca 0.56 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2jg1 s LEU 17 Cb -0.25 -0.94 0.10 0.00 0.03 0.00 0.00 46.19 45.13 2jg1 s LEU 17 CO 0.22 0.09 1.71 0.74 0.23 0.00 0.00 176.35 179.34 2jg1 h THR 18 N 4.11 1.26 -2.36 5.49 2.02 -1.95 -3.38 112.91 118.10 2jg1 h THR 18 Ca -0.46 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 65.70 2jg1 h THR 18 Cb 1.17 0.57 -0.20 0.00 -1.74 0.00 0.00 68.15 67.95 2jg1 h THR 18 CO 0.40 0.36 0.00 0.00 0.37 0.00 0.00 175.52 176.66 2jg1 s ALA 19 N -5.33 -1.42 -0.39 6.16 0.00 -1.26 -4.00 121.76 115.52 2jg1 s ALA 19 Ca -0.12 1.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 2jg1 s ALA 19 Cb 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2jg1 s ALA 19 CO 0.84 -0.31 0.60 -1.17 0.00 0.00 0.00 175.76 175.71 2jg1 s LEU 20 N -0.70 4.41 -0.45 0.00 2.96 -1.26 -5.04 118.68 118.60 2jg1 s LEU 20 Ca -0.08 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 2jg1 s LEU 20 Cb -0.03 -2.69 0.03 0.00 0.50 0.00 0.00 46.19 44.00 2jg1 s LEU 20 CO 0.05 -0.64 0.83 -0.54 -1.32 0.00 0.00 176.35 174.74 2jg1 s LYS 21 N 2.64 3.45 0.44 1.98 1.02 -1.26 -5.03 119.74 122.99 2jg1 s LYS 21 Ca 0.22 -0.01 -0.22 0.00 0.02 0.00 0.00 55.97 55.97 2jg1 s LYS 21 Cb -0.15 -3.93 -0.09 0.00 -0.52 0.00 0.00 37.83 33.15 2jg1 s LYS 21 CO 0.16 -1.14 1.06 -0.51 -0.92 0.00 0.00 175.35 173.99 2jg1 s LEU 22 N 3.43 4.01 -1.63 3.17 1.43 -1.26 -3.18 118.68 124.65 2jg1 s LEU 22 Ca 0.32 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.43 2jg1 s LEU 22 Cb -0.11 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2jg1 s LEU 22 CO 0.24 -0.66 0.09 -0.67 0.23 0.00 0.00 176.35 175.59 2jg1 n ASP 23 N -0.48 -5.59 -3.82 2.29 2.03 -1.26 -4.95 116.55 104.77 2jg1 n ASP 23 Ca 0.07 -0.03 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 2jg1 n ASP 23 Cb 0.51 -4.64 -0.05 0.00 -0.72 0.00 0.00 41.12 36.21 2jg1 n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jg1 s ASP 24 N -2.15 0.12 0.02 1.67 -1.08 -1.19 -5.15 116.67 108.90 2jg1 s ASP 24 Ca 0.05 -1.07 -0.24 0.00 -0.52 0.00 0.00 52.55 50.77 2jg1 s ASP 24 Cb -0.02 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 41.99 2jg1 s ASP 24 CO 0.06 -1.18 0.71 -0.69 0.52 0.00 0.00 175.17 174.60 2jg1 s VAL 25 N -3.76 4.82 -0.16 1.11 1.01 -1.26 -4.89 120.40 117.27 2jg1 s VAL 25 Ca 0.25 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.74 2jg1 s VAL 25 Cb -0.00 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2jg1 s VAL 25 CO 0.11 0.36 -0.17 0.20 0.00 0.00 0.00 175.10 175.60 2jg1 s ASN 26 N 0.03 2.90 -0.05 3.32 0.01 -1.26 -4.90 114.94 114.99 2jg1 s ASN 26 Ca 0.37 -0.57 -0.15 0.00 -0.71 0.00 0.00 52.86 51.80 2jg1 s ASN 26 Cb -0.20 -1.33 -0.05 0.00 0.41 0.00 0.00 41.25 40.08 2jg1 s ASN 26 CO 0.21 -0.02 0.39 -0.13 -1.51 0.00 0.00 177.10 176.04 2jg1 s ARG 27 N 1.36 4.01 0.09 -0.60 0.52 -1.26 -5.09 118.95 117.98 2jg1 s ARG 27 Ca 0.04 0.36 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 2jg1 s ARG 27 Cb -0.13 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2jg1 s ARG 27 CO -0.11 0.54 -0.14 0.14 0.02 0.00 0.00 175.30 175.75 2jg1 s VAL 28 N -0.58 1.21 0.00 3.52 -7.23 -1.26 -5.07 120.40 110.98 2jg1 s VAL 28 Ca 0.23 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2jg1 s VAL 28 Cb -0.16 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2jg1 s VAL 28 CO 0.11 -0.28 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 2jg1 n GLN 29 N 1.02 0.00 -2.48 4.82 3.00 -1.26 -4.98 117.38 117.51 2jg1 n GLN 29 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 2jg1 n GLN 29 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.76 2jg1 n GLN 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2jg1 s GLU 30 N 2.16 4.40 0.05 -1.09 8.01 -1.26 -5.02 118.70 125.96 2jg1 s GLU 30 Ca 0.00 1.67 0.09 0.00 0.01 0.00 0.00 54.97 56.74 2jg1 s GLU 30 Cb 0.00 -3.47 -0.03 0.00 -4.31 0.00 0.00 34.13 26.32 2jg1 s GLU 30 CO 0.00 -0.33 -0.25 0.08 0.01 0.00 0.00 175.26 174.76 2jg1 s VAL 31 N 1.68 2.27 -0.32 2.63 1.01 -1.26 -5.07 120.40 121.33 2jg1 s VAL 31 Ca 0.56 -1.40 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 2jg1 s VAL 31 Cb -0.26 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2jg1 s VAL 31 CO 0.25 0.33 0.61 -0.55 0.00 0.00 0.00 175.10 175.74 2jg1 s SER 32 N -1.36 6.45 -0.13 3.32 0.15 -1.25 -5.01 113.70 115.85 2jg1 s SER 32 Ca 0.12 0.29 0.02 0.00 0.70 0.00 0.00 55.95 57.08 2jg1 s SER 32 Cb -0.10 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2jg1 s SER 32 CO 0.03 -0.50 -0.21 -0.54 1.20 0.00 0.00 173.24 173.22 2jg1 s LYS 33 N 2.60 3.10 0.11 5.44 1.02 -1.26 -1.58 119.74 129.16 2jg1 s LYS 33 Ca 0.24 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.46 2jg1 s LYS 33 Cb -0.15 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 2jg1 s LYS 33 CO 0.13 0.07 -0.15 0.95 -0.92 0.00 0.00 175.35 175.43 2jg1 s THR 34 N 0.64 1.34 -0.51 2.17 -4.23 -0.54 -4.95 115.64 109.56 2jg1 s THR 34 Ca -0.10 -1.63 -0.28 0.00 -1.18 0.00 0.00 61.69 58.49 2jg1 s THR 34 Cb -0.16 -1.46 -0.00 0.00 1.34 0.00 0.00 72.50 72.21 2jg1 s THR 34 CO 0.02 -0.35 1.63 0.00 -0.54 0.00 0.00 174.62 175.38 2jg1 s ALA 35 N -1.89 2.66 0.00 3.99 0.00 -1.26 -1.79 121.76 123.46 2jg1 s ALA 35 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2jg1 s ALA 35 Cb -0.06 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2jg1 s ALA 35 CO 0.03 -3.10 0.00 0.41 0.00 0.00 0.00 175.76 173.10 2jg1 n GLY 36 N 5.41 5.40 0.00 0.00 0.00 0.12 -4.29 105.19 111.83 2jg1 n GLY 36 Ca 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2jg1 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg1 n GLY 37 N 1.39 -2.27 0.24 -0.02 0.00 -1.22 -1.58 105.19 101.73 2jg1 n GLY 37 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 2jg1 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jg1 h LYS 38 N 0.00 0.79 0.00 1.61 1.57 -1.86 -2.64 116.57 116.04 2jg1 h LYS 38 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2jg1 h LYS 38 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2jg1 h LYS 38 CO 0.00 0.64 0.00 0.78 -0.57 0.00 0.00 179.45 180.30 2jg1 h GLY 39 N 0.74 0.00 1.50 3.86 0.00 -1.81 -2.26 103.07 105.10 2jg1 h GLY 39 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.34 2jg1 h GLY 39 CO -0.03 0.00 -1.12 1.41 0.00 0.00 0.00 176.54 176.80 2jg1 h LEU 40 N 0.00 0.00 -0.57 3.11 3.38 -1.67 -1.57 115.31 117.99 2jg1 h LEU 40 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jg1 h LEU 40 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2jg1 h LEU 40 CO 0.00 0.74 0.11 0.78 0.09 0.00 0.00 178.44 180.16 2jg1 h ASN 41 N 0.00 0.89 -0.09 -0.43 2.35 -1.29 -1.38 115.58 115.63 2jg1 h ASN 41 Ca -0.11 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.42 2jg1 h ASN 41 Cb 1.66 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.77 2jg1 h ASN 41 CO 0.08 0.91 -0.05 0.58 -1.65 0.00 0.00 177.43 177.30 2jg1 h VAL 42 N 0.83 0.85 -0.47 2.81 2.07 -1.42 -2.62 116.25 118.31 2jg1 h VAL 42 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2jg1 h VAL 42 Cb 0.39 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2jg1 h VAL 42 CO 0.01 0.00 0.23 0.74 0.02 0.00 0.00 177.57 178.57 2jg1 h THR 43 N -0.04 0.96 -0.30 2.57 2.02 -1.21 -1.05 112.91 115.86 2jg1 h THR 43 Ca 0.05 -0.16 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 2jg1 h THR 43 Cb 0.12 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2jg1 h THR 43 CO -0.11 0.08 -0.38 0.03 0.37 0.00 0.00 175.52 175.51 2jg1 h ARG 44 N 0.47 0.71 -0.31 6.66 3.08 -1.17 -0.90 114.38 122.91 2jg1 h ARG 44 Ca 0.20 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 2jg1 h ARG 44 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2jg1 h ARG 44 CO -0.14 0.97 -0.20 0.28 -1.07 0.00 0.00 179.97 179.80 2jg1 h VAL 45 N 0.58 1.30 -0.49 2.04 2.07 -1.38 -2.27 116.25 118.10 2jg1 h VAL 45 Ca 0.05 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 66.33 2jg1 h VAL 45 Cb 0.91 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 2jg1 h VAL 45 CO 0.08 0.43 0.05 -0.07 0.02 0.00 0.00 177.57 178.08 2jg1 h LEU 46 N 0.44 -0.11 -1.00 2.57 3.38 -1.03 0.12 115.31 119.68 2jg1 h LEU 46 Ca 0.06 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2jg1 h LEU 46 Cb 0.75 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 2jg1 h LEU 46 CO 0.06 -0.03 0.65 0.00 0.09 0.00 0.00 178.44 179.21 2jg1 h ALA 47 N 1.41 1.38 -0.36 1.53 0.00 -1.06 0.15 119.26 122.31 2jg1 h ALA 47 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2jg1 h ALA 47 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jg1 h ALA 47 CO -0.37 0.47 0.02 1.96 0.00 0.00 0.00 179.25 181.33 2jg1 h GLN 48 N 1.20 0.62 -0.39 0.00 4.20 -0.75 -2.79 115.11 117.20 2jg1 h GLN 48 Ca 0.43 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2jg1 h GLN 48 Cb 0.13 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2jg1 h GLN 48 CO -0.16 0.72 0.24 0.28 -0.67 0.00 0.00 178.83 179.23 2jg1 h VAL 49 N 0.45 1.11 0.00 -0.54 2.07 -0.23 -3.47 116.25 115.64 2jg1 h VAL 49 Ca 0.11 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jg1 h VAL 49 Cb 0.42 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2jg1 h VAL 49 CO 0.01 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.33 2jg1 n GLY 50 N -1.42 1.16 3.77 2.17 0.00 0.47 -5.09 105.19 106.25 2jg1 n GLY 50 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2jg1 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jg1 s GLU 51 N -0.50 4.58 0.09 1.61 0.41 -0.81 -5.00 118.70 119.08 2jg1 s GLU 51 Ca 0.00 1.43 -0.31 0.00 -0.41 0.00 0.00 54.97 55.68 2jg1 s GLU 51 Cb 0.00 -2.89 -0.07 0.00 -1.78 0.00 0.00 34.13 29.38 2jg1 s GLU 51 CO 0.00 0.26 1.41 -2.14 -0.49 0.00 0.00 175.26 174.29 2jg1 s PRO 52 N -1.89 4.31 -0.02 0.39 0.02 -1.26 -4.44 135.00 132.11 2jg1 s PRO 52 Ca 0.49 2.07 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 2jg1 s PRO 52 Cb -0.22 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.98 2jg1 s PRO 52 CO 0.28 -0.48 0.13 0.54 -0.33 0.00 0.00 177.00 177.13 2jg1 s VAL 53 N 1.43 0.05 -0.09 3.83 0.11 -1.26 -1.22 120.40 123.25 2jg1 s VAL 53 Ca 0.65 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2jg1 s VAL 53 Cb -0.36 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2jg1 s VAL 53 CO 0.30 -0.23 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.49 2jg1 s LEU 54 N -0.78 1.57 -0.15 2.54 0.20 -0.11 -4.41 118.68 117.55 2jg1 s LEU 54 Ca -0.09 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.26 2jg1 s LEU 54 Cb -0.05 -0.92 -0.05 0.00 -0.43 0.00 0.00 46.19 44.74 2jg1 s LEU 54 CO 0.01 -0.01 0.27 0.00 -0.29 0.00 0.00 176.35 176.33 2jg1 s ALA 55 N 1.01 3.64 0.34 5.97 0.00 -0.47 -1.33 121.76 130.92 2jg1 s ALA 55 Ca -0.07 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2jg1 s ALA 55 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2jg1 s ALA 55 CO -0.01 0.19 0.13 0.45 0.00 0.00 0.00 175.76 176.51 2jg1 s SER 56 N 0.16 2.07 0.00 0.00 0.15 -0.19 -0.49 113.70 115.41 2jg1 s SER 56 Ca 0.16 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.26 2jg1 s SER 56 Cb -0.13 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2jg1 s SER 56 CO 0.04 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2jg1 n GLY 57 N -0.70 0.02 3.67 9.45 0.00 -1.26 -1.46 105.19 114.91 2jg1 n GLY 57 Ca -0.02 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2jg1 n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jg1 s PHE 58 N -2.66 3.25 0.02 1.61 0.40 -1.22 -0.79 117.98 118.58 2jg1 s PHE 58 Ca 0.00 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 2jg1 s PHE 58 Cb 0.00 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2jg1 s PHE 58 CO 0.00 0.31 -0.05 -1.50 0.70 0.00 0.00 175.22 174.68 2jg1 s ILE 59 N -0.20 0.35 -0.11 0.64 1.10 -0.63 -4.41 121.20 117.94 2jg1 s ILE 59 Ca 0.07 -0.67 -0.30 0.00 -0.51 0.00 0.00 60.65 59.24 2jg1 s ILE 59 Cb -0.12 -0.39 0.12 0.00 0.15 0.00 0.00 42.46 42.22 2jg1 s ILE 59 CO 0.02 -0.22 1.00 -0.83 -2.11 0.00 0.00 174.94 172.80 2jg1 s GLY 60 N -0.95 -0.33 0.03 1.50 0.00 -1.26 -0.53 107.32 105.78 2jg1 s GLY 60 Ca -0.07 1.62 0.00 0.00 0.00 0.00 0.00 44.72 46.28 2jg1 s GLY 60 CO -0.00 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.42 2jg1 n GLY 61 N 0.25 -2.00 0.35 0.20 0.00 -1.25 -0.86 105.19 101.88 2jg1 n GLY 61 Ca -0.08 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.57 2jg1 n GLY 61 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jg1 h GLU 62 N 0.00 0.96 -0.05 1.61 3.07 -1.96 -2.29 114.58 115.91 2jg1 h GLU 62 Ca 0.00 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.66 2jg1 h GLU 62 Cb 0.11 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2jg1 h GLU 62 CO 0.00 0.63 -0.62 -0.07 -1.40 0.00 0.00 179.01 177.55 2jg1 h LEU 63 N 0.99 0.23 -0.45 1.33 3.38 -1.85 -1.41 115.31 117.53 2jg1 h LEU 63 Ca 0.30 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2jg1 h LEU 63 Cb -0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 2jg1 h LEU 63 CO -0.08 0.79 0.06 1.23 0.09 0.00 0.00 178.44 180.54 2jg1 h GLY 64 N 1.55 0.52 1.29 0.83 0.00 -1.09 -2.08 103.07 104.09 2jg1 h GLY 64 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2jg1 h GLY 64 CO 0.09 -0.07 -0.05 1.46 0.00 0.00 0.00 176.54 177.97 2jg1 h GLN 65 N 0.19 0.86 -0.36 4.80 4.20 -0.98 -2.14 115.11 121.67 2jg1 h GLN 65 Ca 0.22 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.69 2jg1 h GLN 65 Cb 0.30 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2jg1 h GLN 65 CO -0.32 0.89 0.18 0.35 -0.67 0.00 0.00 178.83 179.26 2jg1 h PHE 66 N 0.78 0.33 0.36 2.96 3.57 -1.05 -1.66 116.94 122.23 2jg1 h PHE 66 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2jg1 h PHE 66 Cb 0.54 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2jg1 h PHE 66 CO 0.03 0.17 -0.19 0.82 -2.23 0.00 0.00 178.31 176.92 2jg1 h ILE 67 N 0.37 0.62 -0.90 1.41 2.04 -1.22 -2.05 117.51 117.79 2jg1 h ILE 67 Ca 0.15 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.16 2jg1 h ILE 67 Cb 0.06 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 36.67 2jg1 h ILE 67 CO -0.11 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.54 2jg1 h ALA 68 N 0.13 1.39 -0.16 1.87 0.00 -1.30 -1.51 119.26 119.68 2jg1 h ALA 68 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jg1 h ALA 68 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jg1 h ALA 68 CO 0.07 -0.04 0.05 -0.22 0.00 0.00 0.00 179.25 179.11 2jg1 h LYS 69 N 0.70 0.24 -0.61 0.00 3.64 -1.10 0.10 116.57 119.55 2jg1 h LYS 69 Ca 0.49 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.89 2jg1 h LYS 69 Cb 0.68 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 2jg1 h LYS 69 CO -0.35 0.37 0.29 0.87 -2.27 0.00 0.00 179.45 178.36 2jg1 h LYS 70 N 0.07 0.52 -0.45 1.90 1.79 -0.78 0.29 116.57 119.91 2jg1 h LYS 70 Ca 0.05 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 2jg1 h LYS 70 Cb 0.23 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2jg1 h LYS 70 CO -0.00 0.35 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.46 2jg1 h LEU 71 N 0.54 0.89 -0.53 2.94 3.38 -1.07 -2.84 115.31 118.62 2jg1 h LEU 71 Ca 0.29 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2jg1 h LEU 71 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2jg1 h LEU 71 CO -0.22 1.05 0.05 0.44 0.09 0.00 0.00 178.44 179.85 2jg1 h ASP 72 N 0.77 0.87 -0.57 -0.43 3.32 -0.35 0.10 116.42 120.13 2jg1 h ASP 72 Ca 0.11 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2jg1 h ASP 72 Cb 0.72 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2jg1 h ASP 72 CO 0.05 0.93 0.35 1.12 -1.72 0.00 0.00 179.24 179.98 2jg1 h HIS 73 N 0.78 0.76 -0.01 4.55 2.07 -0.90 -2.17 115.15 120.22 2jg1 h HIS 73 Ca 0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.68 2jg1 h HIS 73 Cb 0.45 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.18 2jg1 h HIS 73 CO 0.03 0.51 0.00 0.00 -3.07 0.00 0.00 177.93 175.40 2jg1 n ALA 74 N -2.45 2.59 -2.13 6.11 0.00 -0.98 -4.93 120.51 118.72 2jg1 n ALA 74 Ca 0.06 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 2jg1 n ALA 74 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 2jg1 n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jg1 n ASP 75 N 0.00 -4.39 -4.71 0.00 8.00 -0.53 -4.99 116.55 109.92 2jg1 n ASP 75 Ca 0.20 0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 2jg1 n ASP 75 Cb 0.32 -3.49 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 2jg1 n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jg1 s ILE 76 N -2.68 5.05 0.11 0.53 1.01 0.25 -5.02 121.20 120.46 2jg1 s ILE 76 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 2jg1 s ILE 76 Cb 0.00 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 2jg1 s ILE 76 CO 0.00 0.24 1.06 -0.54 0.00 0.00 0.00 174.94 175.70 2jg1 s LYS 77 N 0.94 4.59 0.02 2.79 1.02 -1.26 -4.41 119.74 123.42 2jg1 s LYS 77 Ca 0.35 1.61 -0.00 0.00 0.02 0.00 0.00 55.97 57.95 2jg1 s LYS 77 Cb -0.17 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2jg1 s LYS 77 CO 0.16 0.03 -0.02 -3.38 -0.92 0.00 0.00 175.35 171.22 2jg1 s HIS 78 N 0.27 0.25 -0.40 3.18 -3.43 -1.26 -1.36 115.29 112.54 2jg1 s HIS 78 Ca 0.51 -0.52 0.07 0.00 -0.80 0.00 0.00 55.06 54.33 2jg1 s HIS 78 Cb -0.26 -0.18 0.24 0.00 -1.43 0.00 0.00 32.58 30.94 2jg1 s HIS 78 CO 0.31 -0.20 0.51 0.00 -2.00 0.00 0.00 174.74 173.36 2jg1 n ALA 79 N 1.57 2.38 -1.78 -1.38 0.00 0.36 -4.92 120.51 116.73 2jg1 n ALA 79 Ca -0.24 -3.31 -0.33 0.00 0.00 0.00 0.00 53.44 49.57 2jg1 n ALA 79 Cb 0.55 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 2jg1 n ALA 79 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jg1 s PHE 80 N -0.97 3.21 -0.25 0.00 2.99 -1.26 -4.48 117.98 117.21 2jg1 s PHE 80 Ca 0.35 1.53 -0.17 0.00 0.00 0.00 0.00 56.93 58.63 2jg1 s PHE 80 Cb 0.15 -2.92 -0.03 0.00 0.00 0.00 0.00 43.02 40.22 2jg1 s PHE 80 CO -0.12 -0.62 0.46 -0.47 -0.00 0.00 0.00 175.22 174.47 2jg1 s TYR 81 N -2.37 3.29 0.04 0.36 5.04 0.03 -4.94 117.35 118.79 2jg1 s TYR 81 Ca 0.62 0.59 -0.26 0.00 -2.44 0.00 0.00 57.07 55.59 2jg1 s TYR 81 Cb -0.13 -2.65 -0.05 0.00 0.35 0.00 0.00 41.96 39.48 2jg1 s TYR 81 CO 0.27 -0.21 0.79 0.54 -1.34 0.00 0.00 175.55 175.60 2jg1 s ASN 82 N 1.46 7.23 0.35 4.32 4.22 -1.26 -1.60 114.94 129.66 2jg1 s ASN 82 Ca 0.20 1.47 0.09 0.00 -2.14 0.00 0.00 52.86 52.48 2jg1 s ASN 82 Cb -0.16 -2.48 -0.06 0.00 1.28 0.00 0.00 41.25 39.83 2jg1 s ASN 82 CO 0.09 -0.02 -0.03 0.27 -2.04 0.00 0.00 177.10 175.38 2jg1 s ILE 83 N 0.07 2.37 0.16 0.54 -4.36 0.31 -4.91 121.20 115.37 2jg1 s ILE 83 Ca 0.40 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 2jg1 s ILE 83 Cb -0.21 -2.76 -0.16 0.00 1.25 0.00 0.00 42.46 40.59 2jg1 s ILE 83 CO 0.23 -0.17 1.37 0.11 0.24 0.00 0.00 174.94 176.73 2jg1 h LYS 84 N 1.88 0.13 -7.62 0.37 1.57 -1.91 -3.42 116.57 107.57 2jg1 h LYS 84 Ca -0.43 -0.15 -0.43 0.00 -1.87 0.00 0.00 60.65 57.77 2jg1 h LYS 84 Cb 1.25 0.05 0.17 0.00 0.08 0.00 0.00 32.23 33.78 2jg1 h LYS 84 CO 0.70 0.93 0.30 0.20 -0.57 0.00 0.00 179.45 181.01 2jg1 s GLY 85 N -4.56 1.68 -0.11 3.86 0.00 -1.26 -4.85 107.32 102.08 2jg1 s GLY 85 Ca -0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2jg1 s GLY 85 CO 0.82 -0.24 0.03 -0.54 0.00 0.00 0.00 173.10 173.17 2jg1 s GLU 86 N -5.64 3.28 0.46 2.90 2.02 -1.26 -3.82 118.70 116.63 2jg1 s GLU 86 Ca 0.72 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 55.09 2jg1 s GLU 86 Cb -0.07 -2.93 -0.08 0.00 0.10 0.00 0.00 34.13 31.15 2jg1 s GLU 86 CO 0.54 0.60 1.42 2.41 0.02 0.00 0.00 175.26 180.25 2jg1 n THR 87 N 2.47 2.93 -2.27 3.63 -1.04 -0.04 -3.92 114.28 116.04 2jg1 n THR 87 Ca -0.18 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.07 2jg1 n THR 87 Cb 0.53 -1.81 0.05 0.00 -1.82 0.00 0.00 70.33 67.28 2jg1 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jg1 s ARG 88 N -2.50 2.49 0.20 -2.82 1.70 -1.24 -4.72 118.95 112.06 2jg1 s ARG 88 Ca 0.62 -0.15 0.05 0.00 -0.47 0.00 0.00 55.73 55.79 2jg1 s ARG 88 Cb -0.45 -2.21 -0.04 0.00 -0.57 0.00 0.00 34.95 31.69 2jg1 s ARG 88 CO 0.56 -1.03 0.23 -0.80 -1.08 0.00 0.00 175.30 173.19 2jg1 s ASN 89 N -4.43 5.88 0.07 -2.89 -0.87 -1.26 -1.25 114.94 110.18 2jg1 s ASN 89 Ca 0.58 -0.05 0.03 0.00 -1.57 0.00 0.00 52.86 51.85 2jg1 s ASN 89 Cb -0.11 -1.63 -0.03 0.00 -0.02 0.00 0.00 41.25 39.46 2jg1 s ASN 89 CO 0.45 0.01 -0.09 0.00 -2.57 0.00 0.00 177.10 174.90 2jg1 s ILE 91 N -1.97 1.97 -0.06 0.00 -4.36 -0.18 -1.07 121.20 115.53 2jg1 s ILE 91 Ca -0.02 -2.02 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 2jg1 s ILE 91 Cb -0.06 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.71 2jg1 s ILE 91 CO -0.00 -0.32 -0.01 0.00 0.24 0.00 0.00 174.94 174.84 2jg1 s ALA 92 N -2.14 0.61 -0.21 2.27 0.00 0.04 -1.48 121.76 120.85 2jg1 s ALA 92 Ca 0.19 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2jg1 s ALA 92 Cb -0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2jg1 s ALA 92 CO 0.08 -0.27 0.07 0.42 0.00 0.00 0.00 175.76 176.06 2jg1 s ILE 93 N 1.52 4.61 -0.36 0.00 1.01 0.15 -0.47 121.20 127.66 2jg1 s ILE 93 Ca -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 2jg1 s ILE 93 Cb -0.13 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.27 2jg1 s ILE 93 CO -0.03 0.40 0.14 -0.76 0.00 0.00 0.00 174.94 174.69 2jg1 s LEU 94 N 0.96 4.50 -0.14 2.97 1.43 -0.40 -0.98 118.68 127.03 2jg1 s LEU 94 Ca 0.04 -1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 2jg1 s LEU 94 Cb -0.14 -1.91 0.07 0.00 0.03 0.00 0.00 46.19 44.24 2jg1 s LEU 94 CO 0.03 -0.37 0.30 -1.38 0.23 0.00 0.00 176.35 175.16 2jg1 s HIS 95 N 1.43 -0.49 -1.53 0.29 -3.43 -0.68 -0.26 115.29 110.62 2jg1 s HIS 95 Ca -0.00 1.06 -0.13 0.00 -0.80 0.00 0.00 55.06 55.19 2jg1 s HIS 95 Cb -0.20 0.06 0.09 0.00 -1.43 0.00 0.00 32.58 31.10 2jg1 s HIS 95 CO 0.03 -0.36 0.95 0.39 -2.00 0.00 0.00 174.74 173.75 2jg1 n GLU 96 N 5.10 -5.28 -0.46 -0.38 1.02 -1.26 -0.23 120.64 119.15 2jg1 n GLU 96 Ca -0.11 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2jg1 n GLU 96 Cb 0.51 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 2jg1 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jg1 n GLY 97 N -1.67 1.50 3.89 0.62 0.00 -1.26 -5.03 105.19 103.24 2jg1 n GLY 97 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2jg1 n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg1 s GLN 98 N -0.21 3.60 -0.50 1.61 -0.21 0.68 -5.06 119.66 119.57 2jg1 s GLN 98 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.35 2jg1 s GLN 98 Cb 0.00 -3.03 0.13 0.00 1.00 0.00 0.00 33.01 31.11 2jg1 s GLN 98 CO 0.00 0.60 0.24 -1.14 -2.12 0.00 0.00 175.29 172.87 2jg1 s GLN 99 N -1.98 1.93 -0.30 2.91 0.74 -1.26 -1.68 119.66 120.01 2jg1 s GLN 99 Ca 0.31 -2.55 -0.10 0.00 0.05 0.00 0.00 55.36 53.06 2jg1 s GLN 99 Cb -0.13 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 2jg1 s GLN 99 CO 0.19 -1.09 0.17 0.99 -0.55 0.00 0.00 175.29 175.00 2jg1 s THR 100 N -0.17 4.91 0.01 -0.34 2.01 -0.15 -4.94 115.64 116.96 2jg1 s THR 100 Ca 0.16 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2jg1 s THR 100 Cb -0.25 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2jg1 s THR 100 CO -0.01 0.12 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.19 2jg1 s GLU 101 N 1.68 2.03 -0.17 4.92 2.02 -1.26 0.31 118.70 128.23 2jg1 s GLU 101 Ca 0.06 -0.98 0.01 0.00 0.02 0.00 0.00 54.97 54.08 2jg1 s GLU 101 Cb -0.17 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.02 2jg1 s GLU 101 CO 0.08 0.55 -0.19 0.42 0.02 0.00 0.00 175.26 176.13 2jg1 s ILE 102 N -0.72 1.97 -0.19 -1.63 1.01 -0.55 -5.00 121.20 116.09 2jg1 s ILE 102 Ca 0.11 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 2jg1 s ILE 102 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2jg1 s ILE 102 CO 0.01 0.53 -0.12 -0.76 0.00 0.00 0.00 174.94 174.59 2jg1 s LEU 103 N 1.24 2.56 0.46 2.97 1.43 -1.26 -1.01 118.68 125.06 2jg1 s LEU 103 Ca 0.03 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 2jg1 s LEU 103 Cb -0.13 -1.61 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 2jg1 s LEU 103 CO -0.11 0.02 0.97 -1.61 0.23 0.00 0.00 176.35 175.86 2jg1 s GLU 104 N 1.18 4.08 0.21 1.70 2.02 -1.23 -4.98 118.70 121.68 2jg1 s GLU 104 Ca 0.02 1.10 -0.08 0.00 0.02 0.00 0.00 54.97 56.02 2jg1 s GLU 104 Cb -0.14 -2.15 0.14 0.00 0.10 0.00 0.00 34.13 32.07 2jg1 s GLU 104 CO -0.05 -0.16 1.75 1.96 0.02 0.00 0.00 175.26 178.78 2jg1 h GLN 105 N 1.55 1.17 0.00 1.61 4.20 -1.97 -3.49 115.11 118.17 2jg1 h GLN 105 Ca -0.48 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 57.99 2jg1 h GLN 105 Cb 1.19 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2jg1 h GLN 105 CO 0.61 0.98 0.00 0.41 -0.67 0.00 0.00 178.83 180.15 2jg1 n GLY 106 N -0.79 -2.85 3.85 3.46 0.00 -1.26 -4.35 105.19 103.24 2jg1 n GLY 106 Ca 0.06 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 2jg1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jg1 s PRO 107 N -0.53 3.46 -0.03 1.61 0.04 -1.25 -4.50 135.00 133.79 2jg1 s PRO 107 Ca 0.00 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 2jg1 s PRO 107 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2jg1 s PRO 107 CO 0.00 -0.68 0.81 -2.00 0.04 0.00 0.00 177.00 175.17 2jg1 s GLU 108 N -4.92 4.49 -0.23 4.56 2.12 -1.26 -0.91 118.70 122.56 2jg1 s GLU 108 Ca 0.57 1.10 -0.10 0.00 0.36 0.00 0.00 54.97 56.90 2jg1 s GLU 108 Cb -0.12 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 2jg1 s GLU 108 CO 0.50 0.05 0.14 0.42 -0.54 0.00 0.00 175.26 175.83 2jg1 s ILE 109 N 0.77 5.23 0.84 -3.70 -1.09 -0.30 -4.54 121.20 118.41 2jg1 s ILE 109 Ca 0.43 0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 58.86 2jg1 s ILE 109 Cb -0.19 -3.42 0.09 0.00 -1.58 0.00 0.00 42.46 37.36 2jg1 s ILE 109 CO 0.22 0.38 1.17 1.51 -1.23 0.00 0.00 174.94 176.99 2jg1 s ASP 110 N 0.88 4.25 0.30 3.58 1.47 -1.26 -4.54 116.67 121.36 2jg1 s ASP 110 Ca 0.07 0.83 -0.01 0.00 1.18 0.00 0.00 52.55 54.62 2jg1 s ASP 110 Cb -0.13 -1.35 0.48 0.00 -0.34 0.00 0.00 42.92 41.58 2jg1 s ASP 110 CO 0.03 -2.07 1.94 0.78 0.68 0.00 0.00 175.17 176.53 2jg1 h ASN 111 N -1.17 0.93 -0.35 2.11 -0.26 -1.99 -1.19 115.58 113.66 2jg1 h ASN 111 Ca -0.47 -0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.09 2jg1 h ASN 111 Cb 1.33 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 38.37 2jg1 h ASN 111 CO 0.65 0.64 -0.42 1.56 -1.06 0.00 0.00 177.43 178.80 2jg1 h GLN 112 N 1.08 0.92 -0.53 0.81 4.20 -1.99 -1.75 115.11 117.85 2jg1 h GLN 112 Ca 0.35 -0.50 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 2jg1 h GLN 112 Cb 0.03 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2jg1 h GLN 112 CO -0.10 1.16 -0.11 0.93 -0.67 0.00 0.00 178.83 180.03 2jg1 h GLU 113 N 0.74 1.02 -0.55 1.46 5.08 -1.83 -0.05 114.58 120.45 2jg1 h GLU 113 Ca 0.05 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 2jg1 h GLU 113 Cb 1.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2jg1 h GLU 113 CO 0.10 1.07 -0.10 0.00 -1.00 0.00 0.00 179.01 179.08 2jg1 h ALA 114 N 0.92 0.77 -0.25 3.43 0.00 -1.19 -0.51 119.26 122.43 2jg1 h ALA 114 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2jg1 h ALA 114 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jg1 h ALA 114 CO 0.05 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.77 2jg1 h ALA 115 N 0.95 0.36 -0.95 0.00 0.00 -1.27 -3.16 119.26 115.20 2jg1 h ALA 115 Ca 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jg1 h ALA 115 Cb 0.67 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2jg1 h ALA 115 CO 0.05 0.30 0.58 0.78 0.00 0.00 0.00 179.25 180.96 2jg1 h GLY 116 N 0.30 1.37 1.00 0.00 0.00 -0.86 -2.94 103.07 101.94 2jg1 h GLY 116 Ca 0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2jg1 h GLY 116 CO 0.05 0.55 0.32 -2.75 0.00 0.00 0.00 176.54 174.71 2jg1 h PHE 117 N 1.30 0.94 -0.59 5.60 3.57 -1.11 -1.44 116.94 125.21 2jg1 h PHE 117 Ca 0.34 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2jg1 h PHE 117 Cb -0.07 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.32 2jg1 h PHE 117 CO 0.00 0.70 0.25 0.82 -2.23 0.00 0.00 178.31 177.85 2jg1 h ILE 118 N 0.90 0.82 -0.54 1.41 1.08 -1.48 0.60 117.51 120.30 2jg1 h ILE 118 Ca 0.22 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.48 2jg1 h ILE 118 Cb 0.11 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2jg1 h ILE 118 CO -0.03 0.08 0.11 0.11 -0.69 0.00 0.00 178.15 177.73 2jg1 h LYS 119 N 0.45 0.89 -0.21 2.37 1.79 -1.46 -0.43 116.57 119.96 2jg1 h LYS 119 Ca 0.29 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2jg1 h LYS 119 Cb 0.32 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2jg1 h LYS 119 CO -0.27 0.85 0.12 1.25 -1.08 0.00 0.00 179.45 180.32 2jg1 h HIS 120 N 0.78 0.28 -0.30 -1.35 2.76 -0.65 -3.03 115.15 113.63 2jg1 h HIS 120 Ca 0.17 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2jg1 h HIS 120 Cb 0.38 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2jg1 h HIS 120 CO 0.03 0.24 0.13 0.35 -1.30 0.00 0.00 177.93 177.38 2jg1 h PHE 121 N 0.23 0.24 -0.39 5.26 3.57 0.36 -3.16 116.94 123.06 2jg1 h PHE 121 Ca 0.07 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2jg1 h PHE 121 Cb 0.05 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 2jg1 h PHE 121 CO -0.04 0.12 -0.04 0.93 -2.23 0.00 0.00 178.31 177.05 2jg1 h GLU 122 N 0.28 0.05 -4.15 1.11 5.08 -1.02 -3.40 114.58 112.54 2jg1 h GLU 122 Ca 0.13 -0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.03 2jg1 h GLU 122 Cb 0.07 -0.01 0.05 0.00 0.50 0.00 0.00 28.75 29.36 2jg1 h GLU 122 CO -0.11 0.04 2.07 0.00 -1.00 0.00 0.00 179.01 180.01 2jg1 n GLN 123 N -5.24 1.25 0.00 2.33 10.64 -1.15 -4.74 117.38 120.46 2jg1 n GLN 123 Ca 0.02 -1.40 0.00 0.00 -1.83 0.00 0.00 57.00 53.79 2jg1 n GLN 123 Cb 0.21 -2.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.02 2jg1 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2jg1 n GLU 126 N 5.96 0.00 -0.21 2.61 2.13 -1.26 -4.99 120.64 124.89 2jg1 n GLU 126 Ca 0.40 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.30 2jg1 n GLU 126 Cb 0.26 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.16 2jg1 n GLU 126 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jg1 n LYS 127 N 0.00 2.55 -3.72 5.31 5.02 -1.26 -5.00 118.16 121.06 2jg1 n LYS 127 Ca 0.00 -2.14 -0.23 0.00 -2.02 0.00 0.00 58.31 53.92 2jg1 n LYS 127 Cb 0.00 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2jg1 n LYS 127 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jg1 s VAL 128 N -1.05 2.20 -0.12 -0.18 -7.23 -1.26 -4.85 120.40 107.91 2jg1 s VAL 128 Ca 0.30 -1.42 0.10 0.00 -1.81 0.00 0.00 61.98 59.16 2jg1 s VAL 128 Cb 0.16 -2.62 -0.14 0.00 0.56 0.00 0.00 36.38 34.34 2jg1 s VAL 128 CO 0.22 0.00 0.27 -0.62 -0.31 0.00 0.00 175.10 174.66 2jg1 n GLU 129 N -1.64 1.14 -3.67 4.82 1.02 -1.26 -4.95 120.64 116.10 2jg1 n GLU 129 Ca 0.02 -0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 2jg1 n GLU 129 Cb 0.63 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.80 2jg1 n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jg1 s ALA 130 N -2.51 -1.34 -0.17 0.62 0.00 -1.26 -4.19 121.76 112.90 2jg1 s ALA 130 Ca -0.02 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2jg1 s ALA 130 Cb 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2jg1 s ALA 130 CO 0.41 -0.28 -0.20 0.08 0.00 0.00 0.00 175.76 175.77 2jg1 s VAL 131 N -0.19 2.05 -0.33 0.00 1.01 -0.81 -1.24 120.40 120.89 2jg1 s VAL 131 Ca -0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 2jg1 s VAL 131 Cb -0.03 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2jg1 s VAL 131 CO 0.03 0.54 0.20 0.00 0.00 0.00 0.00 175.10 175.87 2jg1 s ALA 132 N 1.18 3.39 -0.28 5.51 0.00 -0.14 -0.82 121.76 130.59 2jg1 s ALA 132 Ca 0.02 -1.43 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 2jg1 s ALA 132 Cb -0.14 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2jg1 s ALA 132 CO -0.10 -1.00 0.07 0.42 0.00 0.00 0.00 175.76 175.15 2jg1 s ILE 133 N 1.66 3.96 -0.03 0.00 1.01 0.77 -0.73 121.20 127.84 2jg1 s ILE 133 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2jg1 s ILE 133 Cb -0.17 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2jg1 s ILE 133 CO 0.08 0.14 -0.10 -0.44 0.00 0.00 0.00 174.94 174.63 2jg1 s SER 134 N 1.51 1.34 0.00 3.58 0.01 -1.06 -0.89 113.70 118.20 2jg1 s SER 134 Ca 0.03 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2jg1 s SER 134 Cb -0.17 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2jg1 s SER 134 CO 0.02 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2jg1 n GLY 135 N 3.36 -3.55 3.76 3.44 0.00 0.61 -3.58 105.19 109.23 2jg1 n GLY 135 Ca -0.19 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 2jg1 n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jg1 s SER 136 N -0.08 3.86 0.26 1.61 1.04 -1.26 -4.70 113.70 114.43 2jg1 s SER 136 Ca 0.00 1.36 -0.17 0.00 0.48 0.00 0.00 55.95 57.62 2jg1 s SER 136 Cb 0.00 -2.05 -0.08 0.00 0.10 0.00 0.00 66.02 63.99 2jg1 s SER 136 CO 0.00 -2.38 0.70 -0.76 0.98 0.00 0.00 173.24 171.79 2jg1 s LEU 137 N -6.03 4.22 0.98 2.42 1.02 -1.26 -3.73 118.68 116.29 2jg1 s LEU 137 Ca 0.62 1.30 -0.15 0.00 0.02 0.00 0.00 54.13 55.93 2jg1 s LEU 137 Cb -0.16 -3.77 0.18 0.00 0.02 0.00 0.00 46.19 42.46 2jg1 s LEU 137 CO 0.56 -0.06 1.19 -2.16 0.02 0.00 0.00 176.35 175.89 2jg1 s PRO 138 N -2.43 0.58 0.65 1.29 0.04 -1.26 -4.91 135.00 128.95 2jg1 s PRO 138 Ca 0.47 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.38 2jg1 s PRO 138 Cb -0.14 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2jg1 s PRO 138 CO 0.19 -2.52 1.07 0.15 0.04 0.00 0.00 177.00 175.93 2jg1 s LYS 139 N -5.50 3.03 0.00 4.56 1.02 -0.08 -4.18 119.74 118.59 2jg1 s LYS 139 Ca 0.68 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.85 2jg1 s LYS 139 Cb -0.10 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2jg1 s LYS 139 CO 0.53 -1.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.33 2jg1 n GLY 140 N -1.15 1.24 3.77 -3.33 0.00 -1.26 -1.15 105.19 103.31 2jg1 n GLY 140 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2jg1 n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jg1 s LEU 141 N 0.00 4.42 0.74 0.99 1.43 -1.26 -4.78 118.68 120.22 2jg1 s LEU 141 Ca 0.00 1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 2jg1 s LEU 141 Cb 0.00 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.41 2jg1 s LEU 141 CO 0.00 0.14 1.10 -0.46 0.23 0.00 0.00 176.35 177.36 2jg1 n ASN 142 N 2.63 0.93 0.27 2.29 6.94 -1.26 -4.89 115.26 122.16 2jg1 n ASN 142 Ca -0.08 0.66 0.13 0.00 -0.02 0.00 0.00 54.58 55.27 2jg1 n ASN 142 Cb 0.51 -1.47 0.76 0.00 -2.36 0.00 0.00 39.78 37.23 2jg1 n ASN 142 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2jg1 h GLN 143 N -0.37 0.00 -0.74 -3.83 3.07 -2.02 -2.81 115.11 108.40 2jg1 h GLN 143 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 2jg1 h GLN 143 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 2jg1 h GLN 143 CO 0.47 0.10 0.00 -0.40 0.09 0.00 0.00 178.83 179.09 2jg1 n ASP 144 N -3.69 2.68 -0.02 0.06 5.75 -1.26 -4.52 116.55 115.55 2jg1 n ASP 144 Ca -0.02 -2.31 -0.11 0.00 -0.01 0.00 0.00 54.79 52.34 2jg1 n ASP 144 Cb 0.21 -0.51 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 2jg1 n ASP 144 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2jg1 h TYR 145 N 1.62 0.18 -0.65 2.11 3.20 -1.86 0.64 116.97 122.21 2jg1 h TYR 145 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2jg1 h TYR 145 Cb 0.98 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2jg1 h TYR 145 CO 0.40 0.20 0.06 1.88 -1.64 0.00 0.00 178.16 179.06 2jg1 h TYR 146 N 0.11 1.18 -0.40 -3.82 0.99 -1.87 -2.27 116.97 110.89 2jg1 h TYR 146 Ca 0.05 -0.18 0.06 0.00 2.00 0.00 0.00 58.73 60.65 2jg1 h TYR 146 Cb 0.08 -0.32 -0.05 0.00 1.00 0.00 0.00 36.73 37.44 2jg1 h TYR 146 CO -0.04 1.01 0.09 0.00 -0.00 0.00 0.00 178.16 179.22 2jg1 h ALA 147 N 1.02 0.44 -0.69 3.88 0.00 -1.68 0.17 119.26 122.39 2jg1 h ALA 147 Ca 0.19 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2jg1 h ALA 147 Cb 0.50 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2jg1 h ALA 147 CO 0.02 -0.31 0.38 1.96 0.00 0.00 0.00 179.25 181.30 2jg1 h GLN 148 N 0.22 0.68 -0.15 0.00 4.20 0.45 -0.03 115.11 120.48 2jg1 h GLN 148 Ca 0.19 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 2jg1 h GLN 148 Cb 0.23 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jg1 h GLN 148 CO -0.25 0.45 -0.09 0.82 -0.67 0.00 0.00 178.83 179.10 2jg1 h ILE 149 N 0.70 1.32 -0.65 2.54 2.04 -1.02 -2.64 117.51 119.80 2jg1 h ILE 149 Ca 0.32 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 2jg1 h ILE 149 Cb 0.22 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2jg1 h ILE 149 CO -0.20 0.34 0.22 0.40 0.00 0.00 0.00 178.15 178.91 2jg1 h ILE 150 N -0.01 1.24 -0.67 -0.67 2.04 -0.79 -1.95 117.51 116.70 2jg1 h ILE 150 Ca 0.03 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.19 2jg1 h ILE 150 Cb 0.57 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2jg1 h ILE 150 CO 0.02 0.31 0.31 -0.08 0.00 0.00 0.00 178.15 178.72 2jg1 h GLU 151 N 0.96 0.52 -0.34 2.37 4.81 -0.95 0.75 114.58 122.70 2jg1 h GLU 151 Ca 0.22 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 2jg1 h GLU 151 Cb 0.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2jg1 h GLU 151 CO -0.01 0.35 -0.22 0.00 -0.73 0.00 0.00 179.01 178.39 2jg1 h ARG 152 N 0.54 0.66 -0.32 1.92 3.08 -1.06 -2.24 114.38 116.95 2jg1 h ARG 152 Ca 0.33 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2jg1 h ARG 152 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2jg1 h ARG 152 CO -0.27 0.82 -0.06 0.00 -1.07 0.00 0.00 179.97 179.39 2jg1 h GLN 154 N 0.39 0.85 0.00 0.00 1.08 -0.73 0.19 115.11 116.90 2jg1 h GLN 154 Ca 0.08 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2jg1 h GLN 154 Cb 0.54 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2jg1 h GLN 154 CO 0.03 0.56 -0.07 -0.91 -0.95 0.00 0.00 178.83 177.49 2jg1 h ASN 155 N 0.88 0.00 -0.02 1.46 2.35 -1.35 -2.49 115.58 116.41 2jg1 h ASN 155 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2jg1 h ASN 155 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jg1 h ASN 155 CO -0.17 0.07 -0.29 0.29 -1.65 0.00 0.00 177.43 175.68 2jg1 n LYS 156 N -3.36 1.56 -2.06 0.81 4.76 -0.79 -4.99 118.16 114.09 2jg1 n LYS 156 Ca -0.01 -1.07 -0.13 0.00 -2.87 0.00 0.00 58.31 54.23 2jg1 n LYS 156 Cb 0.24 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.06 2jg1 n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jg1 n GLY 157 N 1.21 0.15 3.59 0.72 0.00 -0.07 -5.01 105.19 105.79 2jg1 n GLY 157 Ca 0.08 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2jg1 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jg1 s VAL 158 N -2.60 5.09 0.55 1.61 1.01 -0.47 -5.01 120.40 120.58 2jg1 s VAL 158 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 2jg1 s VAL 158 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2jg1 s VAL 158 CO 0.00 0.03 1.23 -2.16 0.00 0.00 0.00 175.10 174.20 2jg1 s PRO 159 N 2.24 3.22 -0.14 2.72 0.04 -1.26 -4.38 135.00 137.44 2jg1 s PRO 159 Ca 0.18 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.14 2jg1 s PRO 159 Cb -0.16 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2jg1 s PRO 159 CO 0.11 -1.03 -0.20 0.08 0.04 0.00 0.00 177.00 176.00 2jg1 s VAL 160 N -1.51 2.29 -0.32 -0.36 1.01 -1.26 -1.93 120.40 118.32 2jg1 s VAL 160 Ca 0.72 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2jg1 s VAL 160 Cb -0.32 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2jg1 s VAL 160 CO 0.37 0.54 0.18 -0.63 0.00 0.00 0.00 175.10 175.56 2jg1 s ILE 161 N 0.78 4.84 -0.11 2.22 1.09 0.00 -0.16 121.20 129.87 2jg1 s ILE 161 Ca -0.07 -0.32 0.02 0.00 -1.10 0.00 0.00 60.65 59.17 2jg1 s ILE 161 Cb -0.16 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 2jg1 s ILE 161 CO -0.00 0.06 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.50 2jg1 s LEU 162 N 1.65 2.48 -0.41 2.97 2.96 0.11 -0.16 118.68 128.29 2jg1 s LEU 162 Ca 0.05 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2jg1 s LEU 162 Cb -0.17 -1.53 0.15 0.00 0.50 0.00 0.00 46.19 45.14 2jg1 s LEU 162 CO 0.08 0.19 0.26 -0.62 -1.32 0.00 0.00 176.35 174.94 2jg1 s ASP 163 N 0.19 2.93 0.22 3.68 -1.08 -0.06 -2.04 116.67 120.50 2jg1 s ASP 163 Ca -0.10 -2.59 0.04 0.00 -0.52 0.00 0.00 52.55 49.38 2jg1 s ASP 163 Cb -0.16 -0.65 -0.01 0.00 -1.46 0.00 0.00 42.92 40.63 2jg1 s ASP 163 CO 0.06 -0.26 0.14 0.00 0.52 0.00 0.00 175.17 175.63 2jg1 s SER 165 N -2.45 -0.03 0.74 0.00 1.04 -1.26 -4.74 113.70 107.00 2jg1 s SER 165 Ca 0.19 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2jg1 s SER 165 Cb 0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2jg1 s SER 165 CO 0.14 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2jg1 n GLY 166 N -0.34 1.45 0.30 7.32 0.00 -1.26 -2.79 105.19 109.88 2jg1 n GLY 166 Ca -0.02 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.47 2jg1 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 h ALA 167 N -0.74 2.03 -0.09 4.61 0.00 -1.99 -0.32 119.26 122.77 2jg1 h ALA 167 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jg1 h ALA 167 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jg1 h ALA 167 CO 0.00 -0.08 0.03 1.15 0.00 0.00 0.00 179.25 180.35 2jg1 h THR 168 N 0.17 1.15 -0.24 0.00 2.02 -1.94 0.18 112.91 114.24 2jg1 h THR 168 Ca 0.11 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2jg1 h THR 168 Cb 0.24 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2jg1 h THR 168 CO -0.02 0.13 0.04 0.25 0.37 0.00 0.00 175.52 176.29 2jg1 h LEU 169 N -0.02 0.38 -0.47 2.58 6.46 -1.29 -3.02 115.31 119.92 2jg1 h LEU 169 Ca 0.03 -0.26 0.09 0.00 -0.12 0.00 0.00 57.88 57.62 2jg1 h LEU 169 Cb 0.17 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2jg1 h LEU 169 CO -0.00 0.54 -0.03 1.56 -0.62 0.00 0.00 178.44 179.89 2jg1 h GLN 170 N 0.21 0.08 -0.72 1.25 4.20 -0.79 -1.08 115.11 118.25 2jg1 h GLN 170 Ca 0.07 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.89 2jg1 h GLN 170 Cb 0.32 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.00 2jg1 h GLN 170 CO 0.00 0.05 0.34 1.15 -0.67 0.00 0.00 178.83 179.70 2jg1 h THR 171 N 0.08 0.79 -0.04 -0.54 2.02 -0.63 -1.81 112.91 112.78 2jg1 h THR 171 Ca 0.24 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 2jg1 h THR 171 Cb 0.35 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jg1 h THR 171 CO -0.42 0.10 0.01 0.58 0.37 0.00 0.00 175.52 176.16 2jg1 h VAL 172 N 0.55 1.18 0.00 3.16 2.07 -1.11 -2.76 116.25 119.34 2jg1 h VAL 172 Ca 0.37 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2jg1 h VAL 172 Cb 0.45 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jg1 h VAL 172 CO -0.31 0.15 -0.05 -0.07 0.02 0.00 0.00 177.57 177.31 2jg1 h LEU 173 N -0.15 0.00 0.00 2.57 3.38 -0.97 -1.34 115.31 118.81 2jg1 h LEU 173 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jg1 h LEU 173 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jg1 h LEU 173 CO 0.00 0.05 -0.46 -0.33 0.09 0.00 0.00 178.44 177.79 2jg1 h GLU 174 N 0.00 0.00 -6.80 1.13 5.08 -1.26 -3.46 114.58 109.27 2jg1 h GLU 174 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2jg1 h GLU 174 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jg1 h GLU 174 CO 0.01 0.00 0.08 0.54 -1.00 0.00 0.00 179.01 178.64 2jg1 s ASN 175 N -4.78 6.51 0.41 1.42 2.20 -0.50 -5.01 114.94 115.19 2jg1 s ASN 175 Ca 0.06 1.07 0.15 0.00 -0.94 0.00 0.00 52.86 53.20 2jg1 s ASN 175 Cb 0.11 -2.30 0.89 0.00 -2.00 0.00 0.00 41.25 37.96 2jg1 s ASN 175 CO 0.70 -0.38 1.91 1.55 -2.94 0.00 0.00 177.10 177.94 2jg1 h PRO 176 N 1.29 0.00 -5.28 3.55 0.13 -1.91 -3.43 132.00 126.36 2jg1 h PRO 176 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 2jg1 h PRO 176 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2jg1 h PRO 176 CO 0.64 0.27 0.15 0.71 -0.23 0.00 0.00 178.00 179.54 2jg1 s TYR 177 N -4.37 3.02 -0.01 1.56 1.51 -1.26 -5.03 117.35 112.78 2jg1 s TYR 177 Ca -0.03 -0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 2jg1 s TYR 177 Cb 0.15 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 38.43 2jg1 s TYR 177 CO 0.70 -1.00 0.35 0.15 -1.11 0.00 0.00 175.55 174.64 2jg1 s LYS 178 N 2.88 3.77 0.69 -0.62 -0.14 -1.26 -4.71 119.74 120.35 2jg1 s LYS 178 Ca 0.20 0.23 -0.14 0.00 -1.36 0.00 0.00 55.97 54.90 2jg1 s LYS 178 Cb -0.16 -3.16 0.01 0.00 -1.68 0.00 0.00 37.83 32.84 2jg1 s LYS 178 CO 0.16 0.68 1.13 -1.25 -0.76 0.00 0.00 175.35 175.31 2jg1 s PRO 179 N -1.28 2.60 0.10 -1.68 0.04 -1.26 -4.87 135.00 128.65 2jg1 s PRO 179 Ca 0.24 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2jg1 s PRO 179 Cb -0.15 -1.92 -0.22 0.00 0.04 0.00 0.00 34.50 32.25 2jg1 s PRO 179 CO 0.13 -1.42 1.21 1.15 0.04 0.00 0.00 177.00 178.11 2jg1 h THR 180 N -0.17 1.53 -3.82 1.26 2.02 -0.93 -3.40 112.91 109.41 2jg1 h THR 180 Ca -0.47 -3.04 -0.36 0.00 0.77 0.00 0.00 66.41 63.32 2jg1 h THR 180 Cb 1.25 2.83 -0.30 0.00 -1.74 0.00 0.00 68.15 70.20 2jg1 h THR 180 CO 0.53 0.88 -0.76 -0.69 0.37 0.00 0.00 175.52 175.85 2jg1 s VAL 181 N -2.78 0.48 -0.03 3.16 1.01 -0.82 -1.33 120.40 120.10 2jg1 s VAL 181 Ca -0.03 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.81 2jg1 s VAL 181 Cb 0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2jg1 s VAL 181 CO 0.86 0.16 -0.25 0.27 0.00 0.00 0.00 175.10 176.14 2jg1 s ILE 182 N 0.13 2.17 -0.57 2.22 -4.36 -0.58 -0.71 121.20 119.50 2jg1 s ILE 182 Ca -0.01 -1.06 0.07 0.00 -0.26 0.00 0.00 60.65 59.38 2jg1 s ILE 182 Cb -0.05 -1.76 0.27 0.00 1.25 0.00 0.00 42.46 42.16 2jg1 s ILE 182 CO -0.00 0.58 0.73 1.17 0.24 0.00 0.00 174.94 177.66 2jg1 n LYS 183 N 2.48 2.19 -2.26 0.37 0.00 -0.87 -1.61 118.16 118.46 2jg1 n LYS 183 Ca -0.16 -4.35 -0.33 0.00 0.00 0.00 0.00 58.31 53.47 2jg1 n LYS 183 Cb 0.51 -2.02 -0.02 0.00 0.00 0.00 0.00 35.03 33.51 2jg1 n LYS 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jg1 s PRO 184 N -2.35 3.66 0.74 1.64 0.04 -1.20 -4.86 135.00 132.67 2jg1 s PRO 184 Ca 0.40 1.11 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 2jg1 s PRO 184 Cb 0.18 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2jg1 s PRO 184 CO -0.05 -0.52 1.05 0.54 0.04 0.00 0.00 177.00 178.06 2jg1 s ASN 185 N -2.82 4.56 0.27 6.66 2.20 -1.26 -1.89 114.94 122.65 2jg1 s ASN 185 Ca 0.62 0.36 -0.02 0.00 -0.94 0.00 0.00 52.86 52.87 2jg1 s ASN 185 Cb -0.13 -0.90 0.35 0.00 -2.00 0.00 0.00 41.25 38.57 2jg1 s ASN 185 CO 0.32 -1.77 1.81 -0.29 -2.94 0.00 0.00 177.10 174.24 2jg1 h ILE 186 N -0.73 1.23 -0.46 0.54 2.10 -1.76 -1.37 117.51 117.06 2jg1 h ILE 186 Ca -0.44 -0.84 0.04 0.00 1.08 0.00 0.00 64.86 64.71 2jg1 h ILE 186 Cb 1.30 0.64 -0.04 0.00 -1.09 0.00 0.00 36.82 37.63 2jg1 h ILE 186 CO 0.56 0.31 0.24 0.28 -1.08 0.00 0.00 178.15 178.46 2jg1 h SER 187 N 0.85 0.34 -0.46 2.19 0.02 -1.94 -2.63 113.55 111.92 2jg1 h SER 187 Ca 0.19 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2jg1 h SER 187 Cb 0.30 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2jg1 h SER 187 CO -0.00 0.24 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.47 2jg1 h GLU 188 N 0.47 0.94 0.37 3.45 5.08 -1.79 -1.36 114.58 121.75 2jg1 h GLU 188 Ca 0.20 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2jg1 h GLU 188 Cb 0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jg1 h GLU 188 CO -0.14 1.01 -0.20 1.25 -1.00 0.00 0.00 179.01 179.93 2jg1 h LEU 189 N 0.84 -0.49 -0.36 1.33 5.85 -1.14 -2.59 115.31 118.76 2jg1 h LEU 189 Ca 0.13 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 2jg1 h LEU 189 Cb 0.67 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2jg1 h LEU 189 CO 0.05 -0.33 -0.60 1.88 -0.34 0.00 0.00 178.44 179.10 2jg1 h TYR 190 N -0.53 0.92 -0.80 1.25 -1.99 -1.47 -2.87 116.97 111.47 2jg1 h TYR 190 Ca -0.05 -0.34 0.06 0.00 2.00 0.00 0.00 58.73 60.40 2jg1 h TYR 190 Cb 0.42 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 38.94 2jg1 h TYR 190 CO -0.07 1.14 0.52 1.96 -0.00 0.00 0.00 178.16 181.71 2jg1 h GLN 191 N 0.54 0.87 -0.39 4.88 4.20 -1.29 -0.93 115.11 122.99 2jg1 h GLN 191 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2jg1 h GLN 191 Cb 1.19 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2jg1 h GLN 191 CO 0.12 0.58 -0.05 1.25 -0.67 0.00 0.00 178.83 180.06 2jg1 h LEU 192 N 0.90 0.62 -0.37 1.46 5.85 -1.37 -3.13 115.31 119.26 2jg1 h LEU 192 Ca 0.34 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jg1 h LEU 192 Cb 0.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2jg1 h LEU 192 CO -0.11 0.72 -0.20 0.18 -0.34 0.00 0.00 178.44 178.68 2jg1 n LEU 193 N -4.22 0.79 -2.55 2.25 4.32 -0.44 -4.94 117.00 112.21 2jg1 n LEU 193 Ca 0.02 -0.14 -0.21 0.00 -0.02 0.00 0.00 56.01 55.66 2jg1 n LEU 193 Cb 0.30 -0.15 0.01 0.00 -1.62 0.00 0.00 43.42 41.96 2jg1 n LEU 193 CO 0.41 0.15 -0.15 0.59 -1.22 0.00 0.00 177.39 177.16 2jg1 n ASN 194 N -0.80 -5.85 -4.53 -1.43 3.02 -0.66 -5.02 115.26 99.98 2jg1 n ASN 194 Ca 0.13 -0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 2jg1 n ASN 194 Cb 0.32 -4.79 -0.10 0.00 -0.61 0.00 0.00 39.78 34.60 2jg1 n ASN 194 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jg1 s GLN 195 N -5.27 1.92 0.37 3.52 -0.21 -0.90 -5.05 119.66 114.04 2jg1 s GLN 195 Ca 0.12 -1.33 -0.25 0.00 0.02 0.00 0.00 55.36 53.91 2jg1 s GLN 195 Cb -0.05 -2.08 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 2jg1 s GLN 195 CO 0.15 0.43 1.09 -1.25 -2.12 0.00 0.00 175.29 173.58 2jg1 s PRO 196 N -2.77 4.23 0.24 2.91 0.04 -1.26 -4.36 135.00 134.02 2jg1 s PRO 196 Ca 0.24 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 2jg1 s PRO 196 Cb -0.09 -2.71 -0.14 0.00 0.04 0.00 0.00 34.50 31.61 2jg1 s PRO 196 CO 0.14 -0.11 1.35 -0.11 0.04 0.00 0.00 177.00 178.30 2jg1 n LEU 197 N 0.22 2.82 -3.65 -3.56 0.00 -1.26 -5.00 117.00 106.58 2jg1 n LEU 197 Ca 0.04 1.15 -0.10 0.00 0.00 0.00 0.00 56.01 57.09 2jg1 n LEU 197 Cb 0.48 -1.39 -0.11 0.00 0.00 0.00 0.00 43.42 42.40 2jg1 n LEU 197 CO 0.48 -0.65 -0.03 -0.62 0.00 0.00 0.00 177.39 176.56 2jg1 s ASP 198 N 0.18 -0.02 0.00 1.96 -1.08 -1.26 -5.06 116.67 111.39 2jg1 s ASP 198 Ca 0.68 0.82 0.25 0.00 -0.52 0.00 0.00 52.55 53.78 2jg1 s ASP 198 Cb -0.68 1.11 0.58 0.00 -1.46 0.00 0.00 42.92 42.47 2jg1 s ASP 198 CO 0.51 -0.24 1.47 -0.62 0.52 0.00 0.00 175.17 176.81 2jg1 n GLU 199 N 5.38 0.00 -1.97 4.34 1.02 -1.26 -4.54 120.64 123.61 2jg1 n GLU 199 Ca -0.07 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 2jg1 n GLU 199 Cb 0.50 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2jg1 n GLU 199 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jg1 s SER 200 N -3.01 5.67 0.31 1.62 1.04 -1.26 -4.87 113.70 113.21 2jg1 s SER 200 Ca 0.11 2.59 0.02 0.00 0.48 0.00 0.00 55.95 59.16 2jg1 s SER 200 Cb 0.18 -2.62 0.59 0.00 0.10 0.00 0.00 66.02 64.27 2jg1 s SER 200 CO 0.68 -1.28 1.90 -0.07 0.98 0.00 0.00 173.24 175.45 2jg1 h LEU 201 N 1.76 0.85 -0.46 2.42 -0.00 -1.99 -1.73 115.31 116.15 2jg1 h LEU 201 Ca -0.50 0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.28 2jg1 h LEU 201 Cb 1.28 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2jg1 h LEU 201 CO 0.59 0.52 -0.13 -0.33 -0.00 0.00 0.00 178.44 179.09 2jg1 h GLU 202 N 0.95 0.90 -0.30 1.13 3.07 -1.98 -0.79 114.58 117.56 2jg1 h GLU 202 Ca 0.40 -0.36 -0.18 0.00 -0.50 0.00 0.00 59.36 58.73 2jg1 h GLU 202 Cb 0.30 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2jg1 h GLU 202 CO -0.16 1.01 -0.51 1.03 -1.40 0.00 0.00 179.01 178.97 2jg1 h SER 203 N 0.74 0.94 -0.42 1.42 0.87 -1.82 -2.54 113.55 112.73 2jg1 h SER 203 Ca 0.11 -0.49 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 2jg1 h SER 203 Cb 0.69 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2jg1 h SER 203 CO 0.05 1.28 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.50 2jg1 h LEU 204 N 0.66 0.83 -0.04 2.23 3.38 -1.25 -2.08 115.31 119.05 2jg1 h LEU 204 Ca 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jg1 h LEU 204 Cb 1.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2jg1 h LEU 204 CO 0.11 0.93 0.02 0.11 0.09 0.00 0.00 178.44 179.71 2jg1 h LYS 205 N 0.78 0.06 -0.55 1.13 1.57 -1.12 -2.44 116.57 116.01 2jg1 h LYS 205 Ca 0.14 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2jg1 h LYS 205 Cb 0.54 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2jg1 h LYS 205 CO 0.03 0.08 0.08 1.96 -0.57 0.00 0.00 179.45 181.03 2jg1 h GLN 206 N 0.01 0.88 0.05 3.15 4.20 -1.37 -1.83 115.11 120.21 2jg1 h GLN 206 Ca 0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2jg1 h GLN 206 Cb 0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2jg1 h GLN 206 CO -0.00 0.83 -0.03 0.00 -0.67 0.00 0.00 178.83 178.96 2jg1 h ALA 207 N 1.25 -0.07 0.00 3.87 0.00 -1.35 -3.06 119.26 119.90 2jg1 h ALA 207 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jg1 h ALA 207 Cb 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jg1 h ALA 207 CO 0.01 -0.40 -0.22 0.28 0.00 0.00 0.00 179.25 178.92 2jg1 h VAL 208 N -0.35 0.61 -0.01 0.00 2.07 -1.42 -3.07 116.25 114.07 2jg1 h VAL 208 Ca -0.01 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2jg1 h VAL 208 Cb 0.32 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2jg1 h VAL 208 CO 0.01 0.21 -0.06 -1.20 0.02 0.00 0.00 177.57 176.55 2jg1 n SER 209 N -3.50 1.14 -4.77 0.57 7.64 -0.69 -4.74 113.62 109.27 2jg1 n SER 209 Ca -0.01 -1.23 -0.39 0.00 1.01 0.00 0.00 58.87 58.26 2jg1 n SER 209 Cb 0.38 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 2jg1 n SER 209 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2jg1 s GLN 210 N -2.15 3.92 0.58 1.43 0.74 -1.16 -4.91 119.66 118.10 2jg1 s GLN 210 Ca 0.35 2.01 0.34 0.00 0.05 0.00 0.00 55.36 58.12 2jg1 s GLN 210 Cb 0.21 -2.66 1.35 0.00 1.10 0.00 0.00 33.01 33.00 2jg1 s GLN 210 CO 0.39 -0.49 1.59 -1.35 -0.55 0.00 0.00 175.29 174.88 2jg1 h PRO 211 N 2.52 0.00 -0.80 1.67 0.11 -1.91 -0.38 132.00 133.21 2jg1 h PRO 211 Ca -0.49 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.77 2jg1 h PRO 211 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 2jg1 h PRO 211 CO 0.62 0.00 0.53 1.25 -0.21 0.00 0.00 178.00 180.19 2jg1 h LEU 212 N 0.00 0.43 -2.62 2.35 5.85 -1.92 -2.70 115.31 116.70 2jg1 h LEU 212 Ca 0.55 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.29 2jg1 h LEU 212 Cb 2.61 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.59 2jg1 h LEU 212 CO -0.01 0.21 0.00 0.49 -0.34 0.00 0.00 178.44 178.80 2jg1 n PHE 213 N -4.49 0.70 -2.15 1.25 3.01 -0.15 -4.71 117.46 110.91 2jg1 n PHE 213 Ca 0.16 -0.41 -0.39 0.00 1.01 0.00 0.00 57.45 57.81 2jg1 n PHE 213 Cb 0.55 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 2jg1 n PHE 213 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2jg1 s GLU 214 N -1.12 4.04 0.00 -1.08 4.04 -1.02 -3.22 118.70 120.35 2jg1 s GLU 214 Ca 0.39 2.04 0.00 0.00 0.04 0.00 0.00 54.97 57.45 2jg1 s GLU 214 Cb 0.21 -2.77 0.00 0.00 0.02 0.00 0.00 34.13 31.60 2jg1 s GLU 214 CO 0.28 -0.39 0.00 0.41 -1.84 0.00 0.00 175.26 173.72 2jg1 n GLY 215 N 0.69 0.67 3.56 -3.83 0.00 -1.26 -5.05 105.19 99.97 2jg1 n GLY 215 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2jg1 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jg1 s ILE 216 N -2.24 5.26 0.08 -0.61 1.01 -1.20 -4.92 121.20 118.58 2jg1 s ILE 216 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 2jg1 s ILE 216 Cb 0.00 -3.68 -0.17 0.00 0.01 0.00 0.00 42.46 38.63 2jg1 s ILE 216 CO 0.00 0.07 1.67 -0.08 0.00 0.00 0.00 174.94 176.60 2jg1 h GLU 217 N 8.42 -0.31 -5.15 2.79 4.81 -1.76 -3.42 114.58 119.96 2jg1 h GLU 217 Ca -0.32 0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.27 2jg1 h GLU 217 Cb 1.17 0.07 -0.29 0.00 0.63 0.00 0.00 28.75 30.33 2jg1 h GLU 217 CO 0.62 -0.19 -0.77 -1.58 -0.73 0.00 0.00 179.01 176.35 2jg1 s TRP 218 N -6.05 2.85 -0.27 0.92 0.52 -0.44 -1.00 118.94 115.46 2jg1 s TRP 218 Ca -0.15 -0.97 0.03 0.00 0.02 0.00 0.00 56.10 55.04 2jg1 s TRP 218 Cb 0.05 -1.95 0.07 0.00 -1.15 0.00 0.00 33.47 30.49 2jg1 s TRP 218 CO 0.64 -0.46 -0.07 0.42 0.02 0.00 0.00 176.95 177.50 2jg1 s ILE 219 N 0.95 2.12 -0.34 2.03 1.01 -0.24 -1.52 121.20 125.21 2jg1 s ILE 219 Ca -0.02 -1.75 -0.03 0.00 0.00 0.00 0.00 60.65 58.86 2jg1 s ILE 219 Cb -0.15 -2.31 0.07 0.00 0.01 0.00 0.00 42.46 40.08 2jg1 s ILE 219 CO -0.01 -0.16 0.09 -0.63 0.00 0.00 0.00 174.94 174.22 2jg1 s ILE 220 N 1.09 3.21 -0.47 2.92 1.01 -0.63 -0.90 121.20 127.43 2jg1 s ILE 220 Ca -0.04 -1.59 -0.19 0.00 0.00 0.00 0.00 60.65 58.83 2jg1 s ILE 220 Cb -0.20 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.34 2jg1 s ILE 220 CO -0.06 -0.33 0.58 -0.69 0.00 0.00 0.00 174.94 174.45 2jg1 s VAL 221 N 1.23 4.92 0.41 2.92 1.01 0.14 -3.28 120.40 127.75 2jg1 s VAL 221 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2jg1 s VAL 221 Cb -0.21 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 2jg1 s VAL 221 CO -0.02 -0.67 1.00 -0.94 0.00 0.00 0.00 175.10 174.48 2jg1 s SER 222 N 2.33 6.83 -0.10 3.32 1.04 -0.79 -0.48 113.70 125.84 2jg1 s SER 222 Ca 0.16 1.89 0.14 0.00 0.48 0.00 0.00 55.95 58.62 2jg1 s SER 222 Cb -0.18 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.66 2jg1 s SER 222 CO 0.14 -0.43 1.14 0.18 0.98 0.00 0.00 173.24 175.24 2jg1 n LEU 223 N -0.28 1.74 0.00 2.42 4.77 0.16 -2.10 117.00 123.71 2jg1 n LEU 223 Ca 0.06 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 2jg1 n LEU 223 Cb 0.51 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2jg1 n LEU 223 CO 0.42 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2jg1 n GLY 224 N -0.74 3.75 0.17 -0.72 0.00 -1.24 -1.71 105.19 104.70 2jg1 n GLY 224 Ca 0.12 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2jg1 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 h ALA 225 N -0.92 1.00 -0.01 4.61 0.00 -1.98 -2.25 119.26 119.70 2jg1 h ALA 225 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 225 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jg1 h ALA 225 CO 0.00 0.00 -0.05 1.04 0.00 0.00 0.00 179.25 180.24 2jg1 n GLN 226 N -2.36 1.23 0.00 0.00 1.13 -0.69 -4.84 117.38 111.84 2jg1 n GLN 226 Ca 0.00 -0.56 0.00 0.00 -1.94 0.00 0.00 57.00 54.50 2jg1 n GLN 226 Cb 0.14 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.01 2jg1 n GLN 226 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jg1 n GLY 227 N 1.18 1.00 3.31 1.08 0.00 -0.85 -4.63 105.19 106.28 2jg1 n GLY 227 Ca 0.18 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 2jg1 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 s ALA 228 N -2.00 -0.90 -0.04 4.61 0.00 -0.97 0.40 121.76 122.86 2jg1 s ALA 228 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.03 2jg1 s ALA 228 Cb 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2jg1 s ALA 228 CO 0.00 -0.56 -0.15 0.12 0.00 0.00 0.00 175.76 175.17 2jg1 s PHE 229 N -3.32 1.47 -0.00 0.00 5.36 0.37 -0.35 117.98 121.50 2jg1 s PHE 229 Ca 0.00 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.57 2jg1 s PHE 229 Cb 0.01 -1.01 0.00 0.00 -0.34 0.00 0.00 43.02 41.69 2jg1 s PHE 229 CO -0.08 -0.15 -0.02 0.00 -1.46 0.00 0.00 175.22 173.51 2jg1 s ALA 230 N 0.09 0.19 -0.27 11.12 0.00 0.23 0.25 121.76 133.38 2jg1 s ALA 230 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 2jg1 s ALA 230 Cb -0.11 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2jg1 s ALA 230 CO 0.02 0.03 -0.01 0.21 0.00 0.00 0.00 175.76 176.01 2jg1 s LYS 231 N 0.07 2.82 -0.38 0.00 2.20 -0.08 0.30 119.74 124.68 2jg1 s LYS 231 Ca -0.00 -1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 54.52 2jg1 s LYS 231 Cb -0.02 -3.12 0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2jg1 s LYS 231 CO -0.00 -0.45 0.19 -1.58 -0.36 0.00 0.00 175.35 173.14 2jg1 s HIS 232 N 1.36 3.29 0.00 4.03 5.65 -0.05 -1.08 115.29 128.48 2jg1 s HIS 232 Ca -0.00 -1.35 0.00 0.00 0.25 0.00 0.00 55.06 53.95 2jg1 s HIS 232 Cb -0.17 -2.59 0.00 0.00 -1.18 0.00 0.00 32.58 28.64 2jg1 s HIS 232 CO -0.02 -0.76 0.00 0.09 -0.65 0.00 0.00 174.74 173.40 2jg1 n ASN 233 N 4.90 0.00 0.00 9.88 3.02 -0.17 -1.48 115.26 131.40 2jg1 n ASN 233 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2jg1 n ASN 233 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 2jg1 n ASN 233 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jg1 n HIS 234 N 0.00 0.00 -3.51 3.10 8.25 -1.26 -5.03 115.22 116.77 2jg1 n HIS 234 Ca 0.00 -0.15 -0.37 0.00 -0.26 0.00 0.00 57.72 56.94 2jg1 n HIS 234 Cb 0.00 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2jg1 n HIS 234 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2jg1 s THR 235 N -0.29 5.24 -0.15 1.59 2.01 -0.55 -5.09 115.64 118.40 2jg1 s THR 235 Ca 0.00 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 2jg1 s THR 235 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2jg1 s THR 235 CO 0.00 0.43 0.01 -0.36 -0.69 0.00 0.00 174.62 174.01 2jg1 s PHE 236 N 0.08 3.14 0.02 4.92 0.40 -1.26 -0.88 117.98 124.40 2jg1 s PHE 236 Ca 0.20 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.56 2jg1 s PHE 236 Cb -0.14 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 2jg1 s PHE 236 CO 0.07 0.17 -0.23 0.71 0.70 0.00 0.00 175.22 176.63 2jg1 s TYR 237 N 0.02 2.07 -0.14 0.36 1.51 0.15 0.04 117.35 121.35 2jg1 s TYR 237 Ca 0.03 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2jg1 s TYR 237 Cb -0.13 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 2jg1 s TYR 237 CO 0.02 0.04 -0.08 0.50 -1.11 0.00 0.00 175.55 174.93 2jg1 s ARG 238 N -0.91 3.55 -0.33 -0.62 6.06 -0.04 -0.60 118.95 126.06 2jg1 s ARG 238 Ca 0.09 -0.59 -0.08 0.00 -2.50 0.00 0.00 55.73 52.66 2jg1 s ARG 238 Cb -0.09 -2.79 0.03 0.00 0.06 0.00 0.00 34.95 32.15 2jg1 s ARG 238 CO 0.01 0.23 0.12 0.08 -2.50 0.00 0.00 175.30 173.23 2jg1 s VAL 239 N 0.37 4.02 -0.14 7.11 1.01 0.52 -1.46 120.40 131.84 2jg1 s VAL 239 Ca -0.07 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 2jg1 s VAL 239 Cb -0.15 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2jg1 s VAL 239 CO 0.04 -0.10 0.13 0.20 0.00 0.00 0.00 175.10 175.37 2jg1 s ASN 240 N 1.47 6.30 0.06 3.32 0.01 0.11 -2.30 114.94 123.91 2jg1 s ASN 240 Ca 0.01 0.40 0.03 0.00 -0.71 0.00 0.00 52.86 52.59 2jg1 s ASN 240 Cb -0.19 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 2jg1 s ASN 240 CO 0.04 0.35 -0.09 0.27 -1.51 0.00 0.00 177.10 176.16 2jg1 s ILE 241 N -0.69 0.73 0.90 0.60 -4.36 -1.26 -1.07 121.20 116.05 2jg1 s ILE 241 Ca 0.13 -1.27 -0.12 0.00 -0.26 0.00 0.00 60.65 59.14 2jg1 s ILE 241 Cb -0.12 -0.89 0.13 0.00 1.25 0.00 0.00 42.46 42.83 2jg1 s ILE 241 CO 0.03 -0.41 1.09 -2.16 0.24 0.00 0.00 174.94 173.73 2jg1 s PRO 242 N -1.95 1.20 0.05 0.37 0.04 -1.26 -4.92 135.00 128.53 2jg1 s PRO 242 Ca -0.05 0.72 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 2jg1 s PRO 242 Cb -0.08 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2jg1 s PRO 242 CO 0.00 -2.25 0.85 0.99 0.04 0.00 0.00 177.00 176.64 2jg1 s THR 243 N -2.98 4.71 0.12 1.26 2.01 -1.26 -5.04 115.64 114.46 2jg1 s THR 243 Ca 0.63 1.81 0.05 0.00 0.31 0.00 0.00 61.69 64.50 2jg1 s THR 243 Cb -0.17 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2jg1 s THR 243 CO 0.57 0.31 -0.13 0.27 -0.69 0.00 0.00 174.62 174.94 2jg1 s ILE 244 N 0.22 1.23 0.27 1.82 -4.36 -1.26 -5.13 121.20 113.99 2jg1 s ILE 244 Ca 0.43 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.77 2jg1 s ILE 244 Cb -0.21 -1.54 -0.10 0.00 1.25 0.00 0.00 42.46 41.86 2jg1 s ILE 244 CO 0.25 -0.49 1.41 -0.44 0.24 0.00 0.00 174.94 175.91 2jg1 s SER 245 N -2.56 6.68 -0.00 4.36 0.01 -1.26 -5.03 113.70 115.91 2jg1 s SER 245 Ca 0.09 2.67 0.07 0.00 1.31 0.00 0.00 55.95 60.09 2jg1 s SER 245 Cb -0.03 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2jg1 s SER 245 CO 0.02 -0.66 -0.21 -0.69 0.41 0.00 0.00 173.24 172.11 2jg1 s VAL 246 N -0.27 1.64 -0.03 3.43 1.01 -1.26 -4.46 120.40 120.46 2jg1 s VAL 246 Ca 0.57 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2jg1 s VAL 246 Cb -0.41 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2jg1 s VAL 246 CO 0.46 0.41 -0.03 0.18 0.00 0.00 0.00 175.10 176.12 2jg1 n LEU 247 N 2.44 2.73 -3.21 3.92 4.77 0.55 -4.97 117.00 123.22 2jg1 n LEU 247 Ca -0.16 -0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2jg1 n LEU 247 Cb 0.53 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2jg1 n LEU 247 CO 0.24 0.51 0.06 0.21 -1.33 0.00 0.00 177.39 177.07 2jg1 s ASN 248 N -4.39 -1.25 0.00 -1.43 2.47 -0.42 -4.82 114.94 105.10 2jg1 s ASN 248 Ca -0.04 -0.60 0.28 0.00 0.42 0.00 0.00 52.86 52.92 2jg1 s ASN 248 Cb 0.01 1.83 1.64 0.00 -1.45 0.00 0.00 41.25 43.28 2jg1 s ASN 248 CO 0.07 -0.22 2.03 -0.81 -3.72 0.00 0.00 177.10 174.45 2jg1 n PRO 249 N 4.69 0.94 -1.94 0.43 -0.05 -1.26 -4.07 135.00 133.74 2jg1 n PRO 249 Ca 0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 63.13 2jg1 n PRO 249 Cb 0.55 -1.46 -0.02 0.00 -0.05 0.00 0.00 33.50 32.52 2jg1 n PRO 249 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2jg1 s VAL 250 N -2.00 2.48 0.00 0.52 1.01 -1.26 -1.78 120.40 119.37 2jg1 s VAL 250 Ca 0.41 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2jg1 s VAL 250 Cb 0.19 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2jg1 s VAL 250 CO 0.32 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2jg1 n GLY 251 N 2.20 0.83 0.34 4.51 0.00 -1.26 -4.03 105.19 107.79 2jg1 n GLY 251 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2jg1 n GLY 251 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jg1 h SER 252 N 0.00 1.11 -0.48 1.61 0.02 -1.63 -0.19 113.55 113.99 2jg1 h SER 252 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2jg1 h SER 252 Cb 0.00 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2jg1 h SER 252 CO 0.00 0.98 0.31 1.23 -1.14 0.00 0.00 176.83 178.22 2jg1 h GLY 253 N 1.16 0.67 1.01 -3.77 0.00 -1.90 0.56 103.07 100.80 2jg1 h GLY 253 Ca 0.26 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.35 2jg1 h GLY 253 CO -0.02 0.25 0.50 -0.55 0.00 0.00 0.00 176.54 176.72 2jg1 h ASP 254 N 0.65 0.88 -0.98 0.19 3.32 -1.83 -0.29 116.42 118.37 2jg1 h ASP 254 Ca 0.17 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2jg1 h ASP 254 Cb -0.07 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 2jg1 h ASP 254 CO -0.04 0.65 0.64 0.28 -1.72 0.00 0.00 179.24 179.06 2jg1 h SER 255 N 1.04 1.13 -0.70 6.45 0.02 -0.62 -1.02 113.55 119.85 2jg1 h SER 255 Ca 0.28 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2jg1 h SER 255 Cb -0.10 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.12 2jg1 h SER 255 CO -0.06 0.82 0.46 0.74 -1.14 0.00 0.00 176.83 177.65 2jg1 h THR 256 N 1.33 1.16 -0.41 -2.27 2.02 -0.41 -1.91 112.91 112.42 2jg1 h THR 256 Ca 0.36 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 2jg1 h THR 256 Cb -0.15 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 2jg1 h THR 256 CO -0.08 0.17 -0.04 0.58 0.37 0.00 0.00 175.52 176.52 2jg1 h VAL 257 N 0.93 1.24 -0.35 3.16 2.07 -0.47 0.43 116.25 123.25 2jg1 h VAL 257 Ca 0.26 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2jg1 h VAL 257 Cb -0.08 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2jg1 h VAL 257 CO -0.07 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.03 2jg1 h ALA 258 N 1.31 0.45 -0.08 1.67 0.00 -0.99 -0.88 119.26 120.75 2jg1 h ALA 258 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jg1 h ALA 258 Cb 0.47 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2jg1 h ALA 258 CO 0.02 0.03 -0.36 0.78 0.00 0.00 0.00 179.25 179.73 2jg1 h GLY 259 N 0.42 -0.57 0.50 0.00 0.00 -0.83 -0.88 103.07 101.71 2jg1 h GLY 259 Ca 0.12 0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.94 2jg1 h GLY 259 CO -0.01 -0.23 0.00 -2.22 0.00 0.00 0.00 176.54 174.08 2jg1 h ILE 260 N -0.47 0.77 -0.58 2.60 2.04 -0.85 -1.21 117.51 119.81 2jg1 h ILE 260 Ca 0.08 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 2jg1 h ILE 260 Cb 0.59 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2jg1 h ILE 260 CO -0.33 0.02 0.07 0.74 0.00 0.00 0.00 178.15 178.65 2jg1 h THR 261 N 0.09 1.26 -0.14 -0.27 2.02 -0.99 0.99 112.91 115.88 2jg1 h THR 261 Ca 0.15 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.35 2jg1 h THR 261 Cb 0.21 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2jg1 h THR 261 CO -0.26 0.37 -0.07 -1.28 0.37 0.00 0.00 175.52 174.65 2jg1 h SER 262 N 0.86 -0.24 -0.63 4.18 0.87 -1.06 -0.13 113.55 117.40 2jg1 h SER 262 Ca 0.17 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2jg1 h SER 262 Cb 0.45 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 2jg1 h SER 262 CO 0.02 -0.10 0.37 0.00 -0.53 0.00 0.00 176.83 176.59 2jg1 h ALA 263 N 1.05 0.83 -0.22 6.23 0.00 -0.60 -1.88 119.26 124.68 2jg1 h ALA 263 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jg1 h ALA 263 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jg1 h ALA 263 CO -0.18 0.09 0.13 0.82 0.00 0.00 0.00 179.25 180.12 2jg1 h ILE 264 N 0.72 1.09 -0.72 0.00 1.08 -0.64 -0.68 117.51 118.36 2jg1 h ILE 264 Ca 0.27 -0.22 0.08 0.00 -0.39 0.00 0.00 64.86 64.60 2jg1 h ILE 264 Cb 0.08 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 2jg1 h ILE 264 CO -0.13 0.09 0.47 0.25 -0.69 0.00 0.00 178.15 178.14 2jg1 h LEU 265 N 0.27 0.59 -3.22 1.44 6.46 -0.67 -2.69 115.31 117.50 2jg1 h LEU 265 Ca 0.08 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2jg1 h LEU 265 Cb 0.03 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2jg1 h LEU 265 CO -0.01 0.37 0.00 0.59 -0.62 0.00 0.00 178.44 178.76 2jg1 n ASN 266 N -4.49 4.16 -3.91 1.25 3.02 -0.74 -4.98 115.26 109.56 2jg1 n ASN 266 Ca 0.11 -2.73 -0.27 0.00 -0.03 0.00 0.00 54.58 51.66 2jg1 n ASN 266 Cb 0.29 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.95 2jg1 n ASN 266 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jg1 n HIS 267 N 0.13 -1.92 -2.56 3.10 8.25 -0.52 -4.94 115.22 116.76 2jg1 n HIS 267 Ca 0.21 0.83 -0.33 0.00 -0.26 0.00 0.00 57.72 58.17 2jg1 n HIS 267 Cb 0.86 -3.87 -0.04 0.00 1.12 0.00 0.00 29.99 28.06 2jg1 n HIS 267 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2jg1 s GLU 268 N -6.47 3.90 1.06 -0.41 2.02 -0.38 -5.04 118.70 113.38 2jg1 s GLU 268 Ca 0.30 1.21 -0.13 0.00 0.02 0.00 0.00 54.97 56.37 2jg1 s GLU 268 Cb -0.16 -2.12 0.22 0.00 0.10 0.00 0.00 34.13 32.18 2jg1 s GLU 268 CO 0.86 -0.32 1.08 0.54 0.02 0.00 0.00 175.26 177.43 2jg1 s ASN 269 N -2.27 2.03 0.19 -0.19 2.20 -1.26 -4.71 114.94 110.92 2jg1 s ASN 269 Ca 0.64 1.16 -0.11 0.00 -0.94 0.00 0.00 52.86 53.61 2jg1 s ASN 269 Cb -0.13 -1.81 0.17 0.00 -2.00 0.00 0.00 41.25 37.47 2jg1 s ASN 269 CO 0.21 -3.50 1.82 0.44 -2.94 0.00 0.00 177.10 173.13 2jg1 h ASP 270 N -2.15 0.57 -0.15 3.54 5.19 -1.99 -1.03 116.42 120.40 2jg1 h ASP 270 Ca -0.56 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.84 2jg1 h ASP 270 Cb 1.33 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 2jg1 h ASP 270 CO 0.54 0.39 -0.02 0.45 -3.12 0.00 0.00 179.24 177.49 2jg1 h HIS 271 N 0.70 0.31 -0.74 4.55 3.86 -1.99 -2.45 115.15 119.38 2jg1 h HIS 271 Ca 0.25 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2jg1 h HIS 271 Cb 0.07 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2jg1 h HIS 271 CO -0.06 0.53 0.22 -0.44 0.86 0.00 0.00 177.93 179.04 2jg1 h ASP 272 N -0.01 1.08 0.28 2.45 3.32 -1.90 -1.84 116.42 119.80 2jg1 h ASP 272 Ca 0.04 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2jg1 h ASP 272 Cb 0.42 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2jg1 h ASP 272 CO 0.01 1.00 -0.30 0.25 -1.72 0.00 0.00 179.24 178.48 2jg1 h LEU 273 N 1.10 -0.82 -1.12 1.55 6.46 -1.18 -0.85 115.31 120.45 2jg1 h LEU 273 Ca 0.24 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 58.00 2jg1 h LEU 273 Cb 0.32 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2jg1 h LEU 273 CO -0.01 -0.43 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.21 2jg1 h LEU 274 N -0.62 0.47 -0.21 2.25 3.38 -1.39 -1.28 115.31 117.91 2jg1 h LEU 274 Ca -0.01 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2jg1 h LEU 274 Cb 0.58 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jg1 h LEU 274 CO -0.08 0.62 -0.18 0.11 0.09 0.00 0.00 178.44 179.00 2jg1 h LYS 275 N 0.46 0.50 -0.29 1.13 1.57 -1.26 -2.10 116.57 116.56 2jg1 h LYS 275 Ca 0.09 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2jg1 h LYS 275 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2jg1 h LYS 275 CO 0.03 0.82 0.16 -0.22 -0.57 0.00 0.00 179.45 179.67 2jg1 h LYS 276 N 0.18 0.32 -0.40 3.15 3.64 -0.97 0.24 116.57 122.73 2jg1 h LYS 276 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jg1 h LYS 276 Cb 0.72 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2jg1 h LYS 276 CO 0.05 0.21 0.26 0.00 -2.27 0.00 0.00 179.45 177.70 2jg1 h ALA 277 N 1.14 0.50 -0.04 5.00 0.00 -1.26 -1.99 119.26 122.62 2jg1 h ALA 277 Ca 0.12 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2jg1 h ALA 277 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jg1 h ALA 277 CO -0.07 -0.05 -0.79 -0.91 0.00 0.00 0.00 179.25 177.43 2jg1 h ASN 278 N 0.53 0.42 -0.22 0.00 4.21 -1.32 -2.25 115.58 116.95 2jg1 h ASN 278 Ca 0.15 -0.30 0.01 0.00 1.21 0.00 0.00 56.30 57.36 2jg1 h ASN 278 Cb -0.06 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 2jg1 h ASN 278 CO -0.03 1.06 0.13 0.74 -1.29 0.00 0.00 177.43 178.03 2jg1 h THR 279 N 0.22 1.03 -0.55 2.81 2.02 -0.76 -2.90 112.91 114.78 2jg1 h THR 279 Ca -0.04 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2jg1 h THR 279 Cb 1.39 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2jg1 h THR 279 CO 0.13 0.05 0.11 -0.07 0.37 0.00 0.00 175.52 176.11 2jg1 h LEU 280 N 0.27 0.86 -0.79 2.58 3.38 -1.38 -0.89 115.31 119.34 2jg1 h LEU 280 Ca 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jg1 h LEU 280 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2jg1 h LEU 280 CO -0.04 0.89 0.00 0.61 0.09 0.00 0.00 178.44 179.99 2jg1 n GLY 281 N -0.58 0.00 1.77 0.83 0.00 -0.85 -1.65 105.19 104.71 2jg1 n GLY 281 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jg1 n GLY 281 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jg1 n LEU 283 N 0.23 0.00 -0.16 0.99 4.77 -0.34 -2.59 117.00 119.90 2jg1 n LEU 283 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2jg1 n LEU 283 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2jg1 n LEU 283 CO 0.00 0.00 1.01 -1.13 -1.33 0.00 0.00 177.39 175.94 2jg1 h ASN 284 N 0.00 0.34 -0.23 -1.43 -1.24 -1.42 -2.78 115.58 108.81 2jg1 h ASN 284 Ca 0.00 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.08 2jg1 h ASN 284 Cb 0.00 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2jg1 h ASN 284 CO 0.00 0.23 0.16 0.00 -1.29 0.00 0.00 177.43 176.54 2jg1 h ALA 285 N 1.27 2.07 0.00 1.57 0.00 -1.64 -0.45 119.26 122.08 2jg1 h ALA 285 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jg1 h ALA 285 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jg1 h ALA 285 CO -0.16 -0.12 0.00 1.96 0.00 0.00 0.00 179.25 180.93 2jg1 h GLN 286 N 0.12 0.00 -5.90 0.00 4.20 -1.71 0.19 115.11 112.01 2jg1 h GLN 286 Ca 0.10 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.19 2jg1 h GLN 286 Cb 0.27 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 2jg1 h GLN 286 CO -0.01 0.00 -0.29 -1.21 -0.67 0.00 0.00 178.83 176.64 2jg1 s GLU 287 N -3.23 3.76 0.50 1.46 0.41 -0.18 -4.23 118.70 117.18 2jg1 s GLU 287 Ca 0.07 0.23 0.19 0.00 -0.41 0.00 0.00 54.97 55.05 2jg1 s GLU 287 Cb 0.09 -3.20 1.26 0.00 -1.78 0.00 0.00 34.13 30.50 2jg1 s GLU 287 CO 0.59 0.72 2.08 0.00 -0.49 0.00 0.00 175.26 178.17 2jg1 h ALA 288 N 4.75 1.68 -2.62 5.21 0.00 -1.88 -3.01 119.26 123.40 2jg1 h ALA 288 Ca -0.53 -0.09 -0.49 0.00 0.00 0.00 0.00 54.91 53.80 2jg1 h ALA 288 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2jg1 h ALA 288 CO 0.61 0.12 0.29 -1.14 0.00 0.00 0.00 179.25 179.13 2jg1 s GLN 289 N -4.68 4.65 -0.08 0.00 0.74 -1.26 -4.76 119.66 114.27 2jg1 s GLN 289 Ca -0.04 1.31 -0.29 0.00 0.05 0.00 0.00 55.36 56.38 2jg1 s GLN 289 Cb 0.16 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.17 2jg1 s GLN 289 CO 0.65 0.44 0.98 0.99 -0.55 0.00 0.00 175.29 177.80 2jg1 s THR 290 N -1.35 4.82 -0.75 -0.34 2.01 -1.26 -4.01 115.64 114.76 2jg1 s THR 290 Ca 0.43 2.01 -0.02 0.00 0.31 0.00 0.00 61.69 64.42 2jg1 s THR 290 Cb -0.22 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 2jg1 s THR 290 CO 0.27 0.05 0.64 0.61 -0.69 0.00 0.00 174.62 175.50 2jg1 n GLY 291 N 3.07 -0.30 3.21 4.40 0.00 -1.26 -5.00 105.19 109.31 2jg1 n GLY 291 Ca 0.08 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2jg1 n GLY 291 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jg1 s TYR 292 N -3.25 -0.41 0.06 1.61 5.04 -1.26 -4.41 117.35 114.73 2jg1 s TYR 292 Ca 0.17 0.96 0.05 0.00 -2.44 0.00 0.00 57.07 55.81 2jg1 s TYR 292 Cb -0.02 0.14 -0.03 0.00 0.35 0.00 0.00 41.96 42.41 2jg1 s TYR 292 CO 0.49 -0.22 -0.15 0.14 -1.34 0.00 0.00 175.55 174.47 2jg1 s VAL 293 N 0.56 1.20 -0.55 3.14 -7.23 -1.26 -3.87 120.40 112.40 2jg1 s VAL 293 Ca -0.03 -1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 58.81 2jg1 s VAL 293 Cb -0.05 -1.11 0.13 0.00 0.56 0.00 0.00 36.38 35.92 2jg1 s VAL 293 CO -0.03 -0.07 0.51 0.21 -0.31 0.00 0.00 175.10 175.40 2jg1 s ASN 294 N -1.43 6.20 0.27 4.85 3.84 -1.26 -4.94 114.94 122.48 2jg1 s ASN 294 Ca 0.01 -1.81 0.24 0.00 0.21 0.00 0.00 52.86 51.51 2jg1 s ASN 294 Cb -0.09 -2.21 1.01 0.00 -0.55 0.00 0.00 41.25 39.41 2jg1 s ASN 294 CO 0.02 -0.85 1.73 0.18 -2.79 0.00 0.00 177.10 175.38 2jg1 n LEU 295 N 5.23 0.71 0.30 3.21 4.77 -1.26 -1.85 117.00 128.10 2jg1 n LEU 295 Ca -0.13 0.68 0.17 0.00 -0.03 0.00 0.00 56.01 56.70 2jg1 n LEU 295 Cb 0.40 -0.58 0.95 0.00 -2.33 0.00 0.00 43.42 41.86 2jg1 n LEU 295 CO 0.54 -0.58 1.09 0.78 -1.33 0.00 0.00 177.39 177.89 2jg1 h ASN 296 N 0.00 0.00 -0.57 -1.43 2.35 -2.04 -2.50 115.58 111.39 2jg1 h ASN 296 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jg1 h ASN 296 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2jg1 h ASN 296 CO 0.00 0.03 0.00 0.59 -1.65 0.00 0.00 177.43 176.40 2jg1 n ASN 297 N -3.46 3.60 0.36 5.81 3.02 -0.77 -4.69 115.26 119.13 2jg1 n ASN 297 Ca -0.02 -2.04 -0.16 0.00 -0.03 0.00 0.00 54.58 52.32 2jg1 n ASN 297 Cb 0.14 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 2jg1 n ASN 297 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2jg1 h TYR 298 N 3.35 -0.85 -0.99 3.10 3.20 -1.55 -3.03 116.97 120.19 2jg1 h TYR 298 Ca 0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.89 2jg1 h TYR 298 Cb 0.92 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 2jg1 h TYR 298 CO 0.41 -0.50 0.65 -0.44 -1.64 0.00 0.00 178.16 176.63 2jg1 h ASP 299 N -1.11 1.07 -0.65 -2.11 3.32 -1.83 -0.03 116.42 115.08 2jg1 h ASP 299 Ca -0.09 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.98 2jg1 h ASP 299 Cb 0.74 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 2jg1 h ASP 299 CO 0.15 0.73 0.39 -0.78 -1.72 0.00 0.00 179.24 178.02 2jg1 h ASP 300 N 1.24 0.64 0.30 6.45 3.58 -1.87 -1.23 116.42 125.52 2jg1 h ASP 300 Ca 0.39 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.55 2jg1 h ASP 300 Cb 0.01 -0.13 0.03 0.00 1.72 0.00 0.00 39.33 40.96 2jg1 h ASP 300 CO -0.12 0.44 -1.31 -0.07 -2.88 0.00 0.00 179.24 175.30 2jg1 h LEU 301 N 0.77 0.75 -0.59 2.28 3.38 -1.36 -3.31 115.31 117.22 2jg1 h LEU 301 Ca 0.26 -0.74 0.09 0.00 0.09 0.00 0.00 57.88 57.58 2jg1 h LEU 301 Cb 0.04 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 2jg1 h LEU 301 CO -0.11 1.56 0.21 0.15 0.09 0.00 0.00 178.44 180.34 2jg1 h PHE 302 N 0.19 0.37 0.00 1.13 3.57 -0.78 -1.96 116.94 119.45 2jg1 h PHE 302 Ca -0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2jg1 h PHE 302 Cb 1.99 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.66 2jg1 h PHE 302 CO 0.10 0.09 0.00 0.09 -2.23 0.00 0.00 178.31 176.37 2jg1 n ASN 303 N -5.00 0.39 -0.25 0.41 3.02 -0.48 -2.75 115.26 110.58 2jg1 n ASN 303 Ca 0.08 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.34 2jg1 n ASN 303 Cb 0.26 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2jg1 n ASN 303 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jg1 n GLN 304 N -1.94 0.65 -2.88 3.52 6.02 -0.74 -4.95 117.38 117.06 2jg1 n GLN 304 Ca 0.02 -0.51 -0.40 0.00 -0.01 0.00 0.00 57.00 56.10 2jg1 n GLN 304 Cb 0.18 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 2jg1 n GLN 304 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jg1 s ILE 305 N -2.70 4.52 -0.19 5.09 1.01 -1.11 -4.54 121.20 123.28 2jg1 s ILE 305 Ca 0.15 1.83 -0.03 0.00 0.00 0.00 0.00 60.65 62.60 2jg1 s ILE 305 Cb 0.17 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2jg1 s ILE 305 CO 0.68 0.40 -0.06 -0.70 0.00 0.00 0.00 174.94 175.25 2jg1 s GLU 306 N -0.38 3.43 -0.28 2.79 2.12 -0.23 -4.99 118.70 121.15 2jg1 s GLU 306 Ca 0.41 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 55.06 2jg1 s GLU 306 Cb -0.22 -2.90 0.01 0.00 0.26 0.00 0.00 34.13 31.28 2jg1 s GLU 306 CO 0.27 -0.03 0.04 0.08 -0.54 0.00 0.00 175.26 175.08 2jg1 s VAL 307 N 1.03 3.68 -0.05 3.70 1.01 -1.26 0.05 120.40 128.56 2jg1 s VAL 307 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2jg1 s VAL 307 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2jg1 s VAL 307 CO -0.00 0.10 -0.21 -0.76 0.00 0.00 0.00 175.10 174.23 2jg1 s LEU 308 N 1.45 2.34 0.11 3.92 1.43 -0.53 -4.99 118.68 122.41 2jg1 s LEU 308 Ca 0.02 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 2jg1 s LEU 308 Cb -0.17 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 2jg1 s LEU 308 CO 0.01 0.29 1.08 -0.70 0.23 0.00 0.00 176.35 177.26 2jg1 s GLU 309 N -0.40 4.57 0.00 1.70 2.12 -1.26 -0.86 118.70 124.57 2jg1 s GLU 309 Ca 0.04 1.64 0.00 0.00 0.36 0.00 0.00 54.97 57.01 2jg1 s GLU 309 Cb -0.12 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.93 2jg1 s GLU 309 CO 0.02 0.00 0.48 0.28 -0.54 0.00 0.00 175.26 175.49