#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd2 s PHE -8 N 0.00 3.04 -0.34 3.69 5.36 -1.26 -5.00 117.98 123.47 1jd2 s PHE -8 Ca 0.00 1.15 -0.11 0.00 -0.96 0.00 0.00 56.93 57.01 1jd2 s PHE -8 Cb 0.00 -3.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.25 1jd2 s PHE -8 CO 0.00 -1.39 0.19 1.21 -1.46 0.00 0.00 175.22 173.77 1jd2 s ASN -7 N 1.69 5.69 0.00 6.13 3.04 -1.26 -4.97 114.94 125.26 1jd2 s ASN -7 Ca 0.54 -0.70 0.04 0.00 0.04 0.00 0.00 52.86 52.78 1jd2 s ASN -7 Cb -0.22 -2.03 0.22 0.00 -1.54 0.00 0.00 41.25 37.68 1jd2 s ASN -7 CO 0.17 -0.28 0.66 -0.81 -3.04 0.00 0.00 177.10 173.80 1jd2 n PRO -6 N 5.01 0.44 -4.47 0.43 -0.04 -1.26 -4.83 135.00 130.28 1jd2 n PRO -6 Ca -0.13 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.10 1jd2 n PRO -6 Cb 0.48 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 1jd2 n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jd2 s TYR -5 N -2.00 2.13 0.19 0.54 1.51 -1.26 -5.08 117.35 113.38 1jd2 s TYR -5 Ca 0.06 -0.59 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1jd2 s TYR -5 Cb 0.03 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 1jd2 s TYR -5 CO 0.04 0.43 0.19 0.41 -1.11 0.00 0.00 175.55 175.51 1jd2 n GLY -4 N -0.65 3.18 2.98 0.71 0.00 -1.26 -5.15 105.19 105.00 1jd2 n GLY -4 Ca -0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 1jd2 n GLY -4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jd2 s ASP -3 N -2.30 -0.22 -0.06 1.61 3.68 -1.26 -4.45 116.67 113.67 1jd2 s ASP -3 Ca 0.21 0.22 0.14 0.00 2.13 0.00 0.00 52.55 55.25 1jd2 s ASP -3 Cb 0.01 1.41 0.51 0.00 -1.45 0.00 0.00 42.92 43.39 1jd2 s ASP -3 CO 0.15 -0.30 1.39 0.59 0.13 0.00 0.00 175.17 177.12 1jd2 n ASN -2 N 5.38 3.37 0.00 -0.34 4.13 -1.09 -4.58 115.26 122.13 1jd2 n ASN -2 Ca -0.01 -2.24 0.00 0.00 1.68 0.00 0.00 54.58 54.01 1jd2 n ASN -2 Cb 0.50 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1jd2 n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jd2 n GLY -1 N 1.02 3.32 0.49 7.41 0.00 -1.26 -3.03 105.19 113.14 1jd2 n GLY -1 Ca 0.18 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1jd2 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jd2 n GLY 1 N 0.00 -2.42 3.58 -0.02 0.00 -1.26 -4.43 105.19 100.64 1jd2 n GLY 1 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 1jd2 n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jd2 s THR 2 N -2.77 0.00 0.20 2.61 2.01 -1.26 -1.70 115.64 114.73 1jd2 s THR 2 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1jd2 s THR 2 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1jd2 s THR 2 CO 0.00 0.00 0.13 0.27 -0.69 0.00 0.00 174.62 174.33 1jd2 s ILE 3 N -0.46 0.01 -0.23 1.82 -4.36 -0.66 -1.42 121.20 115.90 1jd2 s ILE 3 Ca -0.03 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.10 1jd2 s ILE 3 Cb -0.02 -2.48 0.08 0.00 1.25 0.00 0.00 42.46 41.29 1jd2 s ILE 3 CO 0.03 -0.03 0.76 -0.22 0.24 0.00 0.00 174.94 175.73 1jd2 s LEU 4 N -3.16 -0.68 -0.02 0.37 2.96 0.17 -1.28 118.68 117.04 1jd2 s LEU 4 Ca 0.38 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1jd2 s LEU 4 Cb 0.07 2.38 0.01 0.00 0.50 0.00 0.00 46.19 49.16 1jd2 s LEU 4 CO 0.11 -0.30 -0.03 -0.83 -1.32 0.00 0.00 176.35 173.98 1jd2 s GLY 5 N 0.05 0.31 0.01 7.98 0.00 0.92 -0.21 107.32 116.37 1jd2 s GLY 5 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.67 1jd2 s GLY 5 CO 0.02 0.23 -0.07 -0.42 0.00 0.00 0.00 173.10 172.86 1jd2 s ILE 6 N 0.52 0.52 -0.15 0.90 1.01 -0.50 -0.87 121.20 122.62 1jd2 s ILE 6 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1jd2 s ILE 6 Cb -0.09 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.91 1jd2 s ILE 6 CO -0.00 0.01 -0.21 0.00 0.00 0.00 0.00 174.94 174.74 1jd2 s ALA 7 N -0.46 2.30 0.29 9.38 0.00 -0.85 -0.06 121.76 132.36 1jd2 s ALA 7 Ca -0.01 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1jd2 s ALA 7 Cb -0.04 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 22.04 1jd2 s ALA 7 CO -0.00 -0.11 0.27 0.41 0.00 0.00 0.00 175.76 176.33 1jd2 n GLY 8 N 4.20 1.52 0.29 0.00 0.00 0.00 -4.94 105.19 106.27 1jd2 n GLY 8 Ca -0.20 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.72 1jd2 n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jd2 h GLU 9 N 0.00 0.82 -0.75 1.61 4.81 -1.93 -3.30 114.58 115.83 1jd2 h GLU 9 Ca -0.09 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 58.78 1jd2 h GLU 9 Cb 0.39 -0.18 -0.39 0.00 0.63 0.00 0.00 28.75 29.19 1jd2 h GLU 9 CO 0.12 0.54 -1.14 -0.40 -0.73 0.00 0.00 179.01 177.40 1jd2 n ASP 10 N -4.70 1.38 -3.62 1.04 5.75 -1.26 -2.47 116.55 112.68 1jd2 n ASP 10 Ca 0.11 -2.44 -0.01 0.00 -0.01 0.00 0.00 54.79 52.44 1jd2 n ASP 10 Cb 0.18 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 1jd2 n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1jd2 s PHE 11 N -3.27 -0.09 0.00 2.11 -0.12 -1.25 -4.72 117.98 110.65 1jd2 s PHE 11 Ca 0.27 -0.01 -0.13 0.00 -0.05 0.00 0.00 56.93 57.01 1jd2 s PHE 11 Cb 0.41 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 43.35 1jd2 s PHE 11 CO 0.00 -0.29 0.26 0.00 -0.05 0.00 0.00 175.22 175.15 1jd2 s ALA 12 N -2.49 -0.63 0.13 1.99 0.00 -0.98 -0.82 121.76 118.96 1jd2 s ALA 12 Ca 0.12 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.25 1jd2 s ALA 12 Cb 0.02 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1jd2 s ALA 12 CO -0.04 -0.28 -0.13 0.14 0.00 0.00 0.00 175.76 175.45 1jd2 s VAL 13 N -1.67 1.28 -0.18 0.00 -7.23 0.92 -1.16 120.40 112.35 1jd2 s VAL 13 Ca -0.12 -1.79 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1jd2 s VAL 13 Cb -0.05 -1.59 0.09 0.00 0.56 0.00 0.00 36.38 35.39 1jd2 s VAL 13 CO 0.02 -0.50 0.36 -0.22 -0.31 0.00 0.00 175.10 174.45 1jd2 s LEU 14 N -2.62 -0.52 0.20 1.32 1.98 -0.71 -1.42 118.68 116.91 1jd2 s LEU 14 Ca 0.10 0.74 0.05 0.00 -2.89 0.00 0.00 54.13 52.13 1jd2 s LEU 14 Cb -0.03 1.09 -0.05 0.00 0.66 0.00 0.00 46.19 47.86 1jd2 s LEU 14 CO 0.02 -0.25 -0.07 0.00 -1.89 0.00 0.00 176.35 174.17 1jd2 s ALA 15 N 2.54 1.80 -0.08 5.97 0.00 0.70 -1.08 121.76 131.60 1jd2 s ALA 15 Ca 0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 1jd2 s ALA 15 Cb -0.13 0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.24 1jd2 s ALA 15 CO -0.12 -0.11 0.69 0.20 0.00 0.00 0.00 175.76 176.42 1jd2 s GLY 16 N -3.28 -0.57 1.04 0.00 0.00 -1.10 0.46 107.32 103.87 1jd2 s GLY 16 Ca 0.23 1.43 -0.12 0.00 0.00 0.00 0.00 44.72 46.26 1jd2 s GLY 16 CO 0.06 1.08 1.07 0.51 0.00 0.00 0.00 173.10 175.82 1jd2 s ASP 17 N -0.94 2.13 -0.30 1.64 3.84 -0.51 -2.73 116.67 119.80 1jd2 s ASP 17 Ca -0.09 1.49 0.08 0.00 -0.00 0.00 0.00 52.55 54.02 1jd2 s ASP 17 Cb -0.01 -2.18 0.46 0.00 -1.38 0.00 0.00 42.92 39.81 1jd2 s ASP 17 CO 0.09 -3.48 1.32 0.41 -0.00 0.00 0.00 175.17 173.50 1jd2 n THR 18 N -4.44 2.53 -4.24 2.11 -1.04 0.28 -4.79 114.28 104.70 1jd2 n THR 18 Ca 0.05 -3.57 -0.31 0.00 -2.04 0.00 0.00 64.05 58.19 1jd2 n THR 18 Cb 0.55 -0.73 -0.09 0.00 -1.82 0.00 0.00 70.33 68.24 1jd2 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1jd2 s ARG 19 N -3.45 2.42 -0.07 -2.82 3.52 -1.26 -2.47 118.95 114.82 1jd2 s ARG 19 Ca 0.47 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1jd2 s ARG 19 Cb 0.41 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 31.36 1jd2 s ARG 19 CO -0.00 0.55 -0.01 1.21 -0.81 0.00 0.00 175.30 176.23 1jd2 s ASN 20 N -2.06 1.61 0.44 -2.12 3.84 -0.01 -4.48 114.94 112.16 1jd2 s ASN 20 Ca 0.22 -0.12 0.06 0.00 0.21 0.00 0.00 52.86 53.23 1jd2 s ASN 20 Cb -0.11 -0.50 -0.06 0.00 -0.55 0.00 0.00 41.25 40.03 1jd2 s ASN 20 CO 0.14 -0.17 0.03 0.27 -2.79 0.00 0.00 177.10 174.58 1jd2 s ILE 21 N 1.84 1.80 -0.20 -5.21 -5.25 -1.17 0.73 121.20 113.75 1jd2 s ILE 21 Ca 0.04 -1.97 -0.05 0.00 -0.99 0.00 0.00 60.65 57.68 1jd2 s ILE 21 Cb -0.12 -2.77 0.10 0.00 2.95 0.00 0.00 42.46 42.61 1jd2 s ILE 21 CO -0.05 0.00 0.36 -0.89 -1.79 0.00 0.00 174.94 172.57 1jd2 s THR 22 N -2.75 -0.56 0.00 8.37 2.01 -0.87 -4.26 115.64 117.58 1jd2 s THR 22 Ca 0.28 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1jd2 s THR 22 Cb 0.07 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1jd2 s THR 22 CO 0.15 -0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.53 1jd2 n ASP 23 N 5.37 0.00 -0.00 3.53 10.43 -1.26 -0.45 116.55 134.17 1jd2 n ASP 23 Ca -0.06 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.35 1jd2 n ASP 23 Cb 0.50 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.39 1jd2 n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1jd2 n TYR 24 N 0.00 0.00 -2.31 1.24 4.02 -1.26 -5.00 117.16 113.85 1jd2 n TYR 24 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1jd2 n TYR 24 Cb 0.00 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.36 1jd2 n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1jd2 s SER 25 N -2.13 5.08 -0.16 7.72 0.01 0.41 -5.06 113.70 119.57 1jd2 s SER 25 Ca 0.04 0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 1jd2 s SER 25 Cb 0.09 -1.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 1jd2 s SER 25 CO 0.47 -1.40 -0.08 -0.63 0.41 0.00 0.00 173.24 172.01 1jd2 s ILE 26 N -3.12 3.32 -0.12 1.44 1.01 -1.26 -2.05 121.20 120.42 1jd2 s ILE 26 Ca 0.58 -0.55 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1jd2 s ILE 26 Cb -0.11 -2.44 -0.26 0.00 0.01 0.00 0.00 42.46 39.65 1jd2 s ILE 26 CO 0.44 0.49 0.66 0.78 0.00 0.00 0.00 174.94 177.31 1jd2 h ASN 27 N 7.14 0.20 -3.85 3.58 2.35 -0.00 -3.48 115.58 121.51 1jd2 h ASN 27 Ca -0.32 -0.87 -0.08 0.00 -0.55 0.00 0.00 56.30 54.48 1jd2 h ASN 27 Cb 1.19 -0.07 -0.23 0.00 0.05 0.00 0.00 38.32 39.27 1jd2 h ASN 27 CO 0.59 1.32 -0.05 -0.55 -1.65 0.00 0.00 177.43 177.09 1jd2 s SER 28 N -6.70 -0.61 0.00 5.81 0.15 -0.97 -4.99 113.70 106.38 1jd2 s SER 28 Ca -0.19 1.16 0.27 0.00 0.70 0.00 0.00 55.95 57.88 1jd2 s SER 28 Cb 0.01 1.16 0.81 0.00 -1.71 0.00 0.00 66.02 66.30 1jd2 s SER 28 CO 0.73 -0.20 1.63 0.54 1.20 0.00 0.00 173.24 177.14 1jd2 n ARG 29 N 2.94 0.00 -3.37 5.44 1.74 -1.26 -0.83 116.66 121.32 1jd2 n ARG 29 Ca -0.14 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.72 1jd2 n ARG 29 Cb 0.56 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 1jd2 n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1jd2 s TYR 30 N -3.00 0.15 -0.32 -1.55 5.04 -1.03 -4.35 117.35 112.28 1jd2 s TYR 30 Ca 0.12 -1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 53.47 1jd2 s TYR 30 Cb 0.18 -0.60 0.11 0.00 0.35 0.00 0.00 41.96 42.01 1jd2 s TYR 30 CO 0.63 -0.92 0.15 -2.00 -1.34 0.00 0.00 175.55 172.07 1jd2 s GLU 31 N 1.11 0.50 0.54 4.97 2.56 -1.18 -5.06 118.70 122.15 1jd2 s GLU 31 Ca 0.20 -1.00 -0.19 0.00 0.00 0.00 0.00 54.97 53.98 1jd2 s GLU 31 Cb -0.15 -1.50 -0.08 0.00 2.00 0.00 0.00 34.13 34.40 1jd2 s GLU 31 CO -0.03 -1.07 0.70 -2.30 -0.56 0.00 0.00 175.26 171.99 1jd2 n PRO 32 N 4.69 0.72 -0.37 4.30 -0.02 -1.26 -4.73 135.00 138.32 1jd2 n PRO 32 Ca 0.01 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1jd2 n PRO 32 Cb 0.40 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1jd2 n PRO 32 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1jd2 n LYS 33 N -0.19 0.00 -3.97 -0.52 2.85 -1.26 -5.00 118.16 110.06 1jd2 n LYS 33 Ca 0.12 -0.67 -0.30 0.00 -1.05 0.00 0.00 58.31 56.41 1jd2 n LYS 33 Cb 0.45 -0.39 -0.16 0.00 -0.65 0.00 0.00 35.03 34.29 1jd2 n LYS 33 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1jd2 s VAL 34 N 0.00 1.45 0.32 0.58 1.01 -1.26 -4.17 120.40 118.32 1jd2 s VAL 34 Ca 0.00 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1jd2 s VAL 34 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 1jd2 s VAL 34 CO 0.00 0.27 -0.11 -0.36 0.00 0.00 0.00 175.10 174.90 1jd2 s PHE 35 N 1.50 2.29 -0.26 5.22 0.08 -0.78 -4.96 117.98 121.08 1jd2 s PHE 35 Ca 0.02 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 1jd2 s PHE 35 Cb -0.15 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1jd2 s PHE 35 CO -0.09 0.55 0.11 0.34 -0.10 0.00 0.00 175.22 176.03 1jd2 s ASP 36 N -3.56 5.46 -0.10 1.36 3.68 -1.26 -1.57 116.67 120.68 1jd2 s ASP 36 Ca 0.31 -0.12 0.14 0.00 2.13 0.00 0.00 52.55 55.01 1jd2 s ASP 36 Cb 0.01 -1.99 0.47 0.00 -1.45 0.00 0.00 42.92 39.97 1jd2 s ASP 36 CO 0.15 -0.03 1.39 0.00 0.13 0.00 0.00 175.17 176.82 1jd2 n GLY 38 N 0.11 -0.56 2.35 0.00 0.00 -1.26 -4.89 105.19 100.94 1jd2 n GLY 38 Ca 0.18 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1jd2 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jd2 n ASP 39 N -1.29 -3.81 -3.41 1.61 9.92 -1.26 -2.14 116.55 116.17 1jd2 n ASP 39 Ca 0.00 0.21 -0.18 0.00 -0.53 0.00 0.00 54.79 54.29 1jd2 n ASP 39 Cb 0.00 -3.30 0.07 0.00 -0.64 0.00 0.00 41.12 37.25 1jd2 n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1jd2 n ASN 40 N -1.55 -4.42 -3.70 -2.24 4.05 -1.26 -4.88 115.26 101.26 1jd2 n ASN 40 Ca -0.14 -0.73 -0.20 0.00 0.45 0.00 0.00 54.58 53.96 1jd2 n ASN 40 Cb 0.57 -4.84 -0.18 0.00 1.23 0.00 0.00 39.78 36.57 1jd2 n ASN 40 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1jd2 s ILE 41 N -3.43 -0.01 0.04 -1.44 1.01 -0.91 -4.53 121.20 111.94 1jd2 s ILE 41 Ca 0.26 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.28 1jd2 s ILE 41 Cb -0.05 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1jd2 s ILE 41 CO 0.76 0.18 0.02 0.68 0.00 0.00 0.00 174.94 176.59 1jd2 s VAL 42 N 1.98 4.26 -0.11 2.92 -7.23 -1.02 -1.00 120.40 120.19 1jd2 s VAL 42 Ca 0.03 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 1jd2 s VAL 42 Cb -0.12 -2.97 0.06 0.00 0.56 0.00 0.00 36.38 33.91 1jd2 s VAL 42 CO -0.03 0.26 0.57 -0.32 -0.31 0.00 0.00 175.10 175.26 1jd2 s MET 43 N -1.93 0.84 0.01 4.82 0.00 -0.61 -0.82 119.30 121.60 1jd2 s MET 43 Ca 0.23 0.38 0.01 0.00 0.00 0.00 0.00 55.69 56.31 1jd2 s MET 43 Cb -0.12 0.40 -0.01 0.00 0.00 0.00 0.00 34.83 35.10 1jd2 s MET 43 CO 0.15 -0.20 -0.03 0.45 0.00 0.00 0.00 175.02 175.39 1jd2 s SER 44 N -0.64 0.32 -0.38 1.11 0.15 0.55 -1.86 113.70 112.95 1jd2 s SER 44 Ca -0.07 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1jd2 s SER 44 Cb -0.03 0.01 0.11 0.00 -1.71 0.00 0.00 66.02 64.40 1jd2 s SER 44 CO 0.05 -0.08 0.12 0.00 1.20 0.00 0.00 173.24 174.54 1jd2 s ALA 45 N -0.52 2.63 -0.19 5.45 0.00 -1.26 -0.73 121.76 127.13 1jd2 s ALA 45 Ca -0.04 -2.52 -0.08 0.00 0.00 0.00 0.00 51.96 49.32 1jd2 s ALA 45 Cb -0.04 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1jd2 s ALA 45 CO -0.00 -1.79 0.07 1.21 0.00 0.00 0.00 175.76 175.25 1jd2 s ASN 46 N 0.74 5.64 0.00 0.00 3.84 0.02 -4.58 114.94 120.59 1jd2 s ASN 46 Ca 0.13 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1jd2 s ASN 46 Cb -0.21 -1.98 0.00 0.00 -0.55 0.00 0.00 41.25 38.52 1jd2 s ASN 46 CO -0.09 0.15 0.00 0.61 -2.79 0.00 0.00 177.10 174.98 1jd2 n GLY 47 N 3.73 -0.83 3.58 1.21 0.00 -1.26 0.01 105.19 111.63 1jd2 n GLY 47 Ca -0.16 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jd2 n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jd2 s PHE 48 N 0.00 3.08 0.13 1.61 5.36 -0.40 -2.65 117.98 125.10 1jd2 s PHE 48 Ca 0.00 0.55 -0.27 0.00 -0.96 0.00 0.00 56.93 56.25 1jd2 s PHE 48 Cb 0.00 -3.53 -0.07 0.00 -0.34 0.00 0.00 43.02 39.08 1jd2 s PHE 48 CO 0.00 -0.81 1.46 0.00 -1.46 0.00 0.00 175.22 174.41 1jd2 h ALA 49 N 8.58 -0.51 -0.18 11.12 0.00 -1.89 0.30 119.26 136.68 1jd2 h ALA 49 Ca -0.24 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1jd2 h ALA 49 Cb 1.09 1.28 -0.07 0.00 0.00 0.00 0.00 17.79 20.08 1jd2 h ALA 49 CO 0.94 -0.84 -0.52 0.00 0.00 0.00 0.00 179.25 178.83 1jd2 h ALA 50 N 0.18 -0.80 -0.38 0.00 0.00 -1.98 0.68 119.26 116.95 1jd2 h ALA 50 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1jd2 h ALA 50 Cb 0.38 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1jd2 h ALA 50 CO -0.74 -1.05 0.27 -0.44 0.00 0.00 0.00 179.25 177.29 1jd2 h ASP 51 N -0.53 0.08 0.64 0.00 3.45 -1.79 -1.39 116.42 116.87 1jd2 h ASP 51 Ca 0.05 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 1jd2 h ASP 51 Cb 0.66 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.42 1jd2 h ASP 51 CO -0.46 0.05 -0.31 1.23 -1.57 0.00 0.00 179.24 178.18 1jd2 h GLY 52 N 0.09 -0.90 0.65 2.75 0.00 0.40 -2.96 103.07 103.10 1jd2 h GLY 52 Ca 0.18 0.33 0.14 0.00 0.00 0.00 0.00 47.33 47.99 1jd2 h GLY 52 CO -0.02 -0.33 0.52 -0.55 0.00 0.00 0.00 176.54 176.17 1jd2 h ASP 53 N -1.04 0.46 0.74 0.19 3.45 0.36 -2.71 116.42 117.86 1jd2 h ASP 53 Ca -0.09 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.36 1jd2 h ASP 53 Cb 0.70 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1jd2 h ASP 53 CO 0.14 0.24 -0.35 0.00 -1.57 0.00 0.00 179.24 177.70 1jd2 h ALA 54 N 1.63 -1.14 -0.63 3.45 0.00 -1.27 -1.90 119.26 119.40 1jd2 h ALA 54 Ca 0.39 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.20 1jd2 h ALA 54 Cb 0.80 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1jd2 h ALA 54 CO -0.14 -1.07 -0.23 1.25 0.00 0.00 0.00 179.25 179.06 1jd2 h LEU 55 N -1.09 -0.83 -0.19 0.00 5.85 -1.33 0.21 115.31 117.92 1jd2 h LEU 55 Ca -0.10 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1jd2 h LEU 55 Cb 0.76 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 1jd2 h LEU 55 CO 0.17 -0.26 -0.37 0.58 -0.34 0.00 0.00 178.44 178.22 1jd2 h VAL 56 N -0.07 0.21 -0.16 1.05 2.07 -1.49 0.12 116.25 117.97 1jd2 h VAL 56 Ca 0.28 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.85 1jd2 h VAL 56 Cb 0.52 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1jd2 h VAL 56 CO -0.68 0.00 -0.32 0.50 0.02 0.00 0.00 177.57 177.09 1jd2 h LYS 57 N -0.41 -0.37 -0.91 1.57 3.64 0.14 0.12 116.57 120.35 1jd2 h LYS 57 Ca 0.10 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1jd2 h LYS 57 Cb 0.58 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 1jd2 h LYS 57 CO -0.42 -0.24 0.59 0.00 -2.27 0.00 0.00 179.45 177.11 1jd2 h ARG 58 N -0.38 0.90 0.18 1.90 3.08 -0.28 -2.01 114.38 117.78 1jd2 h ARG 58 Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1jd2 h ARG 58 Cb 0.54 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1jd2 h ARG 58 CO -0.37 0.60 -0.09 0.35 -1.07 0.00 0.00 179.97 179.39 1jd2 h PHE 59 N 0.93 -0.23 -0.85 3.04 3.57 0.48 -1.32 116.94 122.56 1jd2 h PHE 59 Ca 0.42 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.09 1jd2 h PHE 59 Cb 0.38 0.07 -0.16 0.00 2.79 0.00 0.00 35.95 39.03 1jd2 h PHE 59 CO -0.00 0.19 -0.19 0.87 -2.23 0.00 0.00 178.31 176.95 1jd2 h LYS 60 N -0.85 0.00 -0.63 1.11 1.57 -0.82 0.80 116.57 117.74 1jd2 h LYS 60 Ca -0.02 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1jd2 h LYS 60 Cb 0.52 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1jd2 h LYS 60 CO 0.04 0.00 0.41 -0.97 -0.57 0.00 0.00 179.45 178.36 1jd2 h ASN 61 N 0.00 0.68 -0.07 0.86 -0.73 -1.41 -1.83 115.58 113.09 1jd2 h ASN 61 Ca 0.42 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.61 1jd2 h ASN 61 Cb 0.65 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 39.04 1jd2 h ASN 61 CO -0.87 0.49 -0.18 -1.28 -0.37 0.00 0.00 177.43 175.21 1jd2 h SER 62 N 0.81 -0.56 -0.93 1.15 0.87 0.17 0.28 113.55 115.35 1jd2 h SER 62 Ca 0.24 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 61.09 1jd2 h SER 62 Cb -0.04 0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.05 1jd2 h SER 62 CO -0.08 -0.24 0.50 0.58 -0.53 0.00 0.00 176.83 177.07 1jd2 h VAL 63 N -0.26 0.62 0.15 2.23 2.07 -0.31 0.20 116.25 120.94 1jd2 h VAL 63 Ca 0.08 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1jd2 h VAL 63 Cb 0.37 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1jd2 h VAL 63 CO -0.22 0.11 -0.12 0.50 0.02 0.00 0.00 177.57 177.85 1jd2 h LYS 64 N 0.59 -0.28 0.00 1.57 3.64 0.26 -2.08 116.57 120.27 1jd2 h LYS 64 Ca 0.56 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.94 1jd2 h LYS 64 Cb 0.94 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1jd2 h LYS 64 CO -0.44 -0.19 -0.05 -1.49 -2.27 0.00 0.00 179.45 175.02 1jd2 h TRP 65 N -0.29 0.00 0.48 1.91 4.06 0.37 -2.96 115.95 119.52 1jd2 h TRP 65 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1jd2 h TRP 65 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1jd2 h TRP 65 CO -0.11 0.05 -0.23 -0.92 -3.56 0.00 0.00 178.44 173.67 1jd2 h TYR 66 N 0.00 -0.60 -0.36 0.49 3.20 0.03 -1.06 116.97 118.67 1jd2 h TYR 66 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1jd2 h TYR 66 Cb 0.45 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.83 1jd2 h TYR 66 CO 0.00 -0.31 -0.38 0.45 -1.64 0.00 0.00 178.16 176.29 1jd2 h HIS 67 N -0.80 -1.08 -0.02 -3.82 3.86 -1.35 0.18 115.15 112.12 1jd2 h HIS 67 Ca -0.07 0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1jd2 h HIS 67 Cb 0.56 0.53 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 1jd2 h HIS 67 CO -0.01 -0.42 -0.21 0.74 0.86 0.00 0.00 177.93 178.89 1jd2 h PHE 68 N -0.32 -0.63 0.00 2.45 0.04 -1.48 -0.71 116.94 116.29 1jd2 h PHE 68 Ca 0.15 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1jd2 h PHE 68 Cb 0.57 0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1jd2 h PHE 68 CO -0.56 -0.22 0.00 -0.25 -0.60 0.00 0.00 178.31 176.67 1jd2 n ASP 69 N -3.68 0.00 -2.68 2.17 8.00 -0.41 -3.41 116.55 116.54 1jd2 n ASP 69 Ca -0.03 -0.23 -0.08 0.00 0.71 0.00 0.00 54.79 55.17 1jd2 n ASP 69 Cb 0.15 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.33 1jd2 n ASP 69 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1jd2 n HIS 70 N -0.95 -0.62 -3.44 1.24 8.25 0.02 -5.04 115.22 114.67 1jd2 n HIS 70 Ca 0.05 -2.34 -0.25 0.00 -0.26 0.00 0.00 57.72 54.92 1jd2 n HIS 70 Cb 0.02 0.60 0.01 0.00 1.12 0.00 0.00 29.99 31.75 1jd2 n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jd2 n ASN 70 N -0.37 -4.16 -2.49 0.41 4.05 -0.89 -0.79 115.26 111.02 1jd2 n ASN 70 Ca 0.03 -0.61 -0.07 0.00 0.45 0.00 0.00 54.58 54.38 1jd2 n ASN 70 Cb 0.84 -1.32 -0.01 0.00 1.23 0.00 0.00 39.78 40.51 1jd2 n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1jd2 n ASP 71 N -1.45 -0.95 -4.76 1.20 8.00 -0.36 -4.86 116.55 113.37 1jd2 n ASP 71 Ca -0.21 0.15 -0.39 0.00 0.71 0.00 0.00 54.79 55.05 1jd2 n ASP 71 Cb 0.58 -0.91 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1jd2 n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1jd2 s LYS 72 N -4.48 3.65 0.02 -1.24 2.20 0.03 -4.96 119.74 114.96 1jd2 s LYS 72 Ca 0.13 2.11 -0.25 0.00 -0.36 0.00 0.00 55.97 57.59 1jd2 s LYS 72 Cb -0.07 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1jd2 s LYS 72 CO 0.16 -0.74 0.79 0.21 -0.36 0.00 0.00 175.35 175.40 1jd2 s LYS 73 N -2.57 4.50 -0.43 4.03 2.20 -1.26 -4.51 119.74 121.71 1jd2 s LYS 73 Ca 0.63 1.09 -0.29 0.00 -0.36 0.00 0.00 55.97 57.04 1jd2 s LYS 73 Cb -0.37 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 1jd2 s LYS 73 CO 0.46 0.20 1.15 -1.17 -0.36 0.00 0.00 175.35 175.63 1jd2 s LEU 74 N 0.24 3.71 0.50 5.43 2.96 -1.26 -5.01 118.68 125.24 1jd2 s LEU 74 Ca 0.40 0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 1jd2 s LEU 74 Cb -0.20 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 1jd2 s LEU 74 CO 0.23 -1.18 1.06 -0.94 -1.32 0.00 0.00 176.35 174.20 1jd2 s SER 75 N 2.41 6.22 0.15 3.68 1.04 -1.26 -4.83 113.70 121.11 1jd2 s SER 75 Ca 0.49 1.99 -0.15 0.00 0.48 0.00 0.00 55.95 58.75 1jd2 s SER 75 Cb -0.09 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1jd2 s SER 75 CO 0.28 -0.87 1.76 -0.29 0.98 0.00 0.00 173.24 175.11 1jd2 h ILE 76 N 1.50 1.16 -0.42 -1.02 6.09 -1.94 0.28 117.51 123.16 1jd2 h ILE 76 Ca -0.50 -0.39 0.11 0.00 -1.37 0.00 0.00 64.86 62.71 1jd2 h ILE 76 Cb 1.23 0.60 -0.02 0.00 0.47 0.00 0.00 36.82 39.10 1jd2 h ILE 76 CO 0.59 0.16 0.30 -0.55 -3.07 0.00 0.00 178.15 175.58 1jd2 h ASN 77 N 0.59 0.08 0.05 2.19 -1.07 -1.92 0.16 115.58 115.65 1jd2 h ASN 77 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.47 1jd2 h ASN 77 Cb 0.04 -0.01 0.01 0.00 -2.07 0.00 0.00 38.32 36.28 1jd2 h ASN 77 CO -0.03 0.05 -0.28 0.28 0.07 0.00 0.00 177.43 177.52 1jd2 h SER 78 N 0.09 0.17 -1.00 6.14 0.02 -1.53 -3.07 113.55 114.37 1jd2 h SER 78 Ca 0.20 -0.97 0.24 0.00 -0.84 0.00 0.00 61.79 60.42 1jd2 h SER 78 Cb 0.68 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.07 1jd2 h SER 78 CO -0.02 1.12 0.64 0.00 -1.14 0.00 0.00 176.83 177.44 1jd2 h ALA 79 N 0.05 2.12 -0.58 3.77 0.00 0.12 -0.91 119.26 123.82 1jd2 h ALA 79 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jd2 h ALA 79 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jd2 h ALA 79 CO 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.81 1jd2 n ALA 80 N -2.45 -0.34 -0.45 0.00 0.00 0.39 -1.56 120.51 116.09 1jd2 n ALA 80 Ca 0.24 0.00 0.39 0.00 0.00 0.00 0.00 53.44 54.07 1jd2 n ALA 80 Cb 0.78 0.07 0.72 0.00 0.00 0.00 0.00 19.45 21.03 1jd2 n ALA 80 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jd2 h ARG 81 N 0.00 0.07 0.77 0.00 9.65 -1.14 0.41 114.38 124.13 1jd2 h ARG 81 Ca 0.00 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1jd2 h ARG 81 Cb 0.00 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1jd2 h ARG 81 CO 0.00 0.05 -0.37 -0.97 2.80 0.00 0.00 179.97 181.47 1jd2 h ASN 82 N 0.07 -0.88 -0.94 -3.80 -0.00 -0.87 -2.64 115.58 106.52 1jd2 h ASN 82 Ca 0.73 0.03 0.20 0.00 -0.00 0.00 0.00 56.30 57.26 1jd2 h ASN 82 Cb 2.65 0.23 -0.08 0.00 -0.00 0.00 0.00 38.32 41.12 1jd2 h ASN 82 CO -0.14 -0.51 0.61 0.40 -0.00 0.00 0.00 177.43 177.80 1jd2 h ILE 83 N -1.27 0.68 -0.60 2.57 2.04 0.81 1.05 117.51 122.78 1jd2 h ILE 83 Ca -0.11 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.65 1jd2 h ILE 83 Cb 0.80 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1jd2 h ILE 83 CO 0.17 0.09 0.28 -0.61 0.00 0.00 0.00 178.15 178.09 1jd2 h GLN 84 N 0.50 0.51 -0.59 2.37 4.15 -1.16 0.17 115.11 121.06 1jd2 h GLN 84 Ca 0.51 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.81 1jd2 h GLN 84 Cb 1.12 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1jd2 h GLN 84 CO -0.23 0.33 0.04 0.45 -1.93 0.00 0.00 178.83 177.49 1jd2 h HIS 85 N 0.52 1.10 0.21 3.99 3.86 0.15 -0.77 115.15 124.20 1jd2 h HIS 85 Ca 0.29 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1jd2 h HIS 85 Cb 0.26 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1jd2 h HIS 85 CO -0.12 0.97 -0.34 -0.07 0.86 0.00 0.00 177.93 179.23 1jd2 h LEU 86 N 0.91 -0.96 0.50 2.43 3.38 0.03 -0.59 115.31 121.01 1jd2 h LEU 86 Ca 0.17 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1jd2 h LEU 86 Cb 0.50 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1jd2 h LEU 86 CO 0.02 -0.45 -0.36 -0.07 0.09 0.00 0.00 178.44 177.67 1jd2 h LEU 87 N -0.62 -0.95 -1.65 1.67 3.38 -0.95 -1.43 115.31 114.75 1jd2 h LEU 87 Ca 0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jd2 h LEU 87 Cb 0.61 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jd2 h LEU 87 CO -0.15 -0.53 0.08 0.22 0.09 0.00 0.00 178.44 178.16 1jd2 h TYR 88 N -0.83 0.00 -0.93 1.13 5.03 -1.09 0.19 116.97 120.47 1jd2 h TYR 88 Ca -0.07 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.36 1jd2 h TYR 88 Cb 0.68 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.89 1jd2 h TYR 88 CO -0.11 0.00 0.60 0.78 -1.32 0.00 0.00 178.16 178.11 1jd2 h GLY 89 N 0.00 1.39 -3.99 1.82 0.00 0.05 -0.98 103.07 101.36 1jd2 h GLY 89 Ca 0.00 -0.37 -0.62 0.00 0.00 0.00 0.00 47.33 46.34 1jd2 h GLY 89 CO 0.00 0.16 0.80 0.28 0.00 0.00 0.00 176.54 177.79 1jd2 n LYS 90 N -4.57 2.53 0.33 4.80 5.02 0.68 -4.71 118.16 122.24 1jd2 n LYS 90 Ca 0.17 -3.18 0.13 0.00 -2.02 0.00 0.00 58.31 53.41 1jd2 n LYS 90 Cb 0.36 -2.25 0.70 0.00 -0.02 0.00 0.00 35.03 33.83 1jd2 n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1jd2 h ARG 91 N 1.66 0.00 -0.15 1.97 9.65 -1.29 0.19 114.38 126.41 1jd2 h ARG 91 Ca 0.62 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.50 1jd2 h ARG 91 Cb 1.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.08 1jd2 h ARG 91 CO 1.43 0.00 0.00 1.19 2.80 0.00 0.00 179.97 185.39 1jd2 n PHE 92 N -2.82 0.43 -2.70 2.20 3.72 -1.26 -4.53 117.46 112.51 1jd2 n PHE 92 Ca -0.02 -0.81 -0.06 0.00 -0.05 0.00 0.00 57.45 56.51 1jd2 n PHE 92 Cb 0.46 -0.18 0.10 0.00 -0.94 0.00 0.00 39.48 38.91 1jd2 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jd2 n PHE 93 N -0.67 -1.72 -0.99 1.38 7.35 0.50 -5.16 117.46 118.16 1jd2 n PHE 93 Ca 0.15 -1.48 -0.36 0.00 -0.76 0.00 0.00 57.45 55.01 1jd2 n PHE 93 Cb 0.65 1.43 0.06 0.00 0.35 0.00 0.00 39.48 41.97 1jd2 n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1jd2 n PRO 94 N 0.29 -0.05 -3.19 -7.13 -0.02 -0.22 -4.87 135.00 119.80 1jd2 n PRO 94 Ca -0.01 -0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 1jd2 n PRO 94 Cb 0.73 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.89 1jd2 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1jd2 s TYR 95 N -2.09 3.18 -1.21 6.00 1.51 -1.25 -4.94 117.35 118.54 1jd2 s TYR 95 Ca 0.47 0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 56.62 1jd2 s TYR 95 Cb -0.22 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.62 1jd2 s TYR 95 CO 0.76 -0.55 1.90 0.98 -1.11 0.00 0.00 175.55 177.54 1jd2 n TYR 96 N 5.83 3.47 -3.66 2.71 9.36 -1.26 -4.69 117.16 128.93 1jd2 n TYR 96 Ca -0.03 -2.26 -0.13 0.00 3.32 0.00 0.00 57.90 58.79 1jd2 n TYR 96 Cb 0.49 -2.49 -0.06 0.00 -0.63 0.00 0.00 39.34 36.64 1jd2 n TYR 96 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1jd2 s VAL 97 N 6.42 0.05 -0.20 2.97 -7.23 -1.26 -1.27 120.40 119.87 1jd2 s VAL 97 Ca 0.58 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1jd2 s VAL 97 Cb 0.05 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1jd2 s VAL 97 CO 0.08 -0.23 -0.10 -2.28 -0.31 0.00 0.00 175.10 172.26 1jd2 s HIS 98 N -2.35 2.89 0.10 2.82 2.46 0.10 -3.45 115.29 117.87 1jd2 s HIS 98 Ca -0.06 -1.15 0.08 0.00 0.47 0.00 0.00 55.06 54.40 1jd2 s HIS 98 Cb -0.01 -2.03 -0.04 0.00 -0.13 0.00 0.00 32.58 30.37 1jd2 s HIS 98 CO -0.01 -0.62 -0.15 -0.08 -2.47 0.00 0.00 174.74 171.41 1jd2 s THR 99 N 1.36 3.06 0.01 0.89 -1.32 -1.22 -0.80 115.64 117.62 1jd2 s THR 99 Ca 0.05 -1.34 -0.02 0.00 -1.21 0.00 0.00 61.69 59.16 1jd2 s THR 99 Cb -0.14 -2.40 -0.01 0.00 -1.51 0.00 0.00 72.50 68.44 1jd2 s THR 99 CO -0.06 0.15 0.02 -0.63 -2.21 0.00 0.00 174.62 171.89 1jd2 s ILE 100 N -1.13 0.09 0.05 5.08 1.01 0.09 -0.49 121.20 125.89 1jd2 s ILE 100 Ca 0.19 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1jd2 s ILE 100 Cb -0.11 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1jd2 s ILE 100 CO 0.11 -0.41 0.04 0.27 0.00 0.00 0.00 174.94 174.96 1jd2 s ILE 101 N -1.25 0.17 0.18 2.92 -4.36 -1.15 -0.33 121.20 117.38 1jd2 s ILE 101 Ca -0.14 -1.42 -0.13 0.00 -0.26 0.00 0.00 60.65 58.70 1jd2 s ILE 101 Cb -0.08 -1.20 0.01 0.00 1.25 0.00 0.00 42.46 42.43 1jd2 s ILE 101 CO -0.00 -0.78 0.41 0.00 0.24 0.00 0.00 174.94 174.80 1jd2 s ALA 102 N -3.33 -0.47 0.00 2.27 0.00 0.00 -2.96 121.76 117.27 1jd2 s ALA 102 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1jd2 s ALA 102 Cb 0.03 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1jd2 s ALA 102 CO -0.08 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1jd2 n GLY 103 N -0.28 -0.61 3.18 0.00 0.00 -0.59 -2.42 105.19 104.47 1jd2 n GLY 103 Ca -0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1jd2 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jd2 s LEU 104 N 0.00 2.07 0.00 0.99 1.43 -1.26 -0.61 118.68 121.29 1jd2 s LEU 104 Ca 0.00 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1jd2 s LEU 104 Cb 0.00 -0.90 0.17 0.00 0.03 0.00 0.00 46.19 45.49 1jd2 s LEU 104 CO 0.00 0.20 1.09 -0.90 0.23 0.00 0.00 176.35 176.97 1jd2 n ASP 105 N 2.46 0.97 -0.31 2.29 5.75 0.37 -4.45 116.55 123.64 1jd2 n ASP 105 Ca -0.15 -1.94 0.02 0.00 -0.01 0.00 0.00 54.79 52.71 1jd2 n ASP 105 Cb 0.54 -0.75 0.15 0.00 -1.03 0.00 0.00 41.12 40.03 1jd2 n ASP 105 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1jd2 h GLU 106 N 0.00 0.89 -0.02 0.11 5.08 -2.00 0.72 114.58 119.35 1jd2 h GLU 106 Ca -0.36 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1jd2 h GLU 106 Cb 1.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1jd2 h GLU 106 CO 0.34 0.59 0.00 -0.25 -1.00 0.00 0.00 179.01 178.69 1jd2 n ASP 106 N -4.66 0.02 0.00 1.42 10.43 -1.26 -4.85 116.55 117.66 1jd2 n ASP 106 Ca 0.13 -1.72 0.00 0.00 2.57 0.00 0.00 54.79 55.77 1jd2 n ASP 106 Cb 0.21 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.16 1jd2 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jd2 n GLY 106 N 0.35 2.37 3.82 0.44 0.00 0.24 -5.02 105.19 107.40 1jd2 n GLY 106 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jd2 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jd2 s LYS 107 N -0.00 3.36 0.57 1.61 -0.14 -1.26 -4.65 119.74 119.22 1jd2 s LYS 107 Ca 0.00 1.06 -0.15 0.00 -1.36 0.00 0.00 55.97 55.52 1jd2 s LYS 107 Cb 0.00 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.05 1jd2 s LYS 107 CO 0.00 -0.77 1.02 0.20 -0.76 0.00 0.00 175.35 175.04 1jd2 s GLY 108 N -3.22 1.98 0.15 -3.33 0.00 -1.03 -0.48 107.32 101.39 1jd2 s GLY 108 Ca 0.61 0.19 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 1jd2 s GLY 108 CO 0.42 0.48 0.52 0.00 0.00 0.00 0.00 173.10 174.52 1jd2 s ALA 109 N -2.70 -1.30 -0.07 3.20 0.00 0.22 -4.77 121.76 116.33 1jd2 s ALA 109 Ca 0.60 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1jd2 s ALA 109 Cb -0.12 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.83 1jd2 s ALA 109 CO 0.39 -0.73 0.18 0.08 0.00 0.00 0.00 175.76 175.68 1jd2 s VAL 110 N -3.78 -0.01 -0.02 0.00 1.01 -1.25 -1.54 120.40 114.82 1jd2 s VAL 110 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1jd2 s VAL 110 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1jd2 s VAL 110 CO -0.11 0.01 -0.12 -0.31 0.00 0.00 0.00 175.10 174.56 1jd2 s TYR 111 N 0.24 1.17 0.13 5.22 2.02 -1.15 0.54 117.35 125.52 1jd2 s TYR 111 Ca -0.01 -0.26 0.07 0.00 -0.37 0.00 0.00 57.07 56.50 1jd2 s TYR 111 Cb -0.03 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 1jd2 s TYR 111 CO -0.01 -0.06 -0.17 -1.54 -1.57 0.00 0.00 175.55 172.20 1jd2 s SER 112 N -0.11 2.35 0.07 2.29 1.04 -1.09 -2.95 113.70 115.29 1jd2 s SER 112 Ca 0.01 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 55.75 1jd2 s SER 112 Cb -0.07 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1jd2 s SER 112 CO 0.00 -0.04 -0.20 -0.36 0.98 0.00 0.00 173.24 173.62 1jd2 s PHE 113 N -1.73 1.74 0.71 5.02 0.40 0.35 -3.42 117.98 121.05 1jd2 s PHE 113 Ca 0.09 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1jd2 s PHE 113 Cb -0.07 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.48 1jd2 s PHE 113 CO 0.04 0.13 1.14 0.34 0.70 0.00 0.00 175.22 177.57 1jd2 s ASP 114 N -1.46 4.64 0.00 1.36 3.68 -0.38 -3.40 116.67 121.12 1jd2 s ASP 114 Ca 0.06 2.11 0.11 0.00 2.13 0.00 0.00 52.55 56.95 1jd2 s ASP 114 Cb -0.09 -2.56 0.63 0.00 -1.45 0.00 0.00 42.92 39.44 1jd2 s ASP 114 CO 0.03 -1.95 1.06 -0.81 0.13 0.00 0.00 175.17 173.62 1jd2 n PRO 115 N -2.72 0.36 -1.27 4.34 -0.04 -1.22 -2.45 135.00 131.99 1jd2 n PRO 115 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1jd2 n PRO 115 Cb 0.52 -1.46 0.11 0.00 -0.04 0.00 0.00 33.50 32.63 1jd2 n PRO 115 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jd2 n VAL 116 N -0.96 1.54 0.00 0.52 0.24 -1.26 -3.83 118.33 114.58 1jd2 n VAL 116 Ca 0.08 -2.72 0.00 0.00 -2.04 0.00 0.00 64.34 59.66 1jd2 n VAL 116 Cb 0.04 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 1jd2 n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jd2 n GLY 117 N -0.55 1.25 3.67 7.63 0.00 -1.03 -4.21 105.19 111.95 1jd2 n GLY 117 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1jd2 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jd2 s SER 118 N -1.68 6.59 0.13 1.61 0.15 -1.26 -4.73 113.70 114.50 1jd2 s SER 118 Ca 0.00 2.44 0.06 0.00 0.70 0.00 0.00 55.95 59.16 1jd2 s SER 118 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1jd2 s SER 118 CO 0.00 -0.94 -0.15 -0.72 1.20 0.00 0.00 173.24 172.63 1jd2 s TYR 119 N 3.57 1.49 0.02 3.44 -0.00 -1.26 -1.25 117.35 123.36 1jd2 s TYR 119 Ca 0.77 -0.53 -0.27 0.00 -0.00 0.00 0.00 57.07 57.05 1jd2 s TYR 119 Cb -0.38 -0.78 0.06 0.00 -0.00 0.00 0.00 41.96 40.86 1jd2 s TYR 119 CO 0.33 0.18 0.61 -2.00 -0.00 0.00 0.00 175.55 174.67 1jd2 s GLU 120 N -2.59 1.09 -0.11 -3.49 2.56 -1.22 -5.01 118.70 109.92 1jd2 s GLU 120 Ca 0.09 -0.02 -0.17 0.00 0.00 0.00 0.00 54.97 54.88 1jd2 s GLU 120 Cb -0.06 0.51 -0.05 0.00 2.00 0.00 0.00 34.13 36.53 1jd2 s GLU 120 CO 0.04 -0.38 0.43 0.50 -0.56 0.00 0.00 175.26 175.28 1jd2 s ARG 121 N -2.02 4.26 0.15 4.30 3.52 -1.26 -2.68 118.95 125.22 1jd2 s ARG 121 Ca -0.07 0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.94 1jd2 s ARG 121 Cb -0.01 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1jd2 s ARG 121 CO 0.02 0.26 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.47 1jd2 s GLU 122 N 0.31 1.07 0.17 5.12 2.02 0.19 -4.98 118.70 122.61 1jd2 s GLU 122 Ca 0.24 -1.46 -0.08 0.00 0.02 0.00 0.00 54.97 53.69 1jd2 s GLU 122 Cb -0.15 -0.61 0.05 0.00 0.10 0.00 0.00 34.13 33.52 1jd2 s GLU 122 CO 0.09 0.06 1.54 0.37 0.02 0.00 0.00 175.26 177.34 1jd2 h GLN 123 N 2.77 0.86 -2.19 1.61 5.75 -1.95 -3.31 115.11 118.65 1jd2 h GLN 123 Ca -0.37 -0.42 0.01 0.00 -0.15 0.00 0.00 58.65 57.73 1jd2 h GLN 123 Cb 1.19 -0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.56 1jd2 h GLN 123 CO 0.64 1.06 0.33 0.00 -2.65 0.00 0.00 178.83 178.21 1jd2 s ARG 125 N -2.15 0.75 0.15 0.00 6.06 -0.05 -5.00 118.95 118.71 1jd2 s ARG 125 Ca -0.03 0.72 0.11 0.00 -2.50 0.00 0.00 55.73 54.03 1jd2 s ARG 125 Cb -0.01 0.36 -0.04 0.00 0.06 0.00 0.00 34.95 35.32 1jd2 s ARG 125 CO -0.01 -0.12 -0.24 0.00 -2.50 0.00 0.00 175.30 172.43 1jd2 s ALA 126 N 0.03 2.49 0.06 6.12 0.00 -1.26 -0.05 121.76 129.14 1jd2 s ALA 126 Ca -0.01 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.24 1jd2 s ALA 126 Cb -0.04 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.71 1jd2 s ALA 126 CO -0.00 0.51 0.49 0.20 0.00 0.00 0.00 175.76 176.96 1jd2 s GLY 127 N -2.29 -0.40 0.00 0.00 0.00 -0.41 -4.81 107.32 99.41 1jd2 s GLY 127 Ca 0.17 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1jd2 s GLY 127 CO 0.08 0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.99 1jd2 n GLY 128 N 0.34 -0.01 0.39 0.20 0.00 -1.26 -1.66 105.19 103.19 1jd2 n GLY 128 Ca -0.18 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 1jd2 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jd2 h ALA 129 N 0.00 -0.82 -0.25 4.61 0.00 -1.57 -2.83 119.26 118.41 1jd2 h ALA 129 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jd2 h ALA 129 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jd2 h ALA 129 CO 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 179.25 178.26 1jd2 n ALA 130 N -2.65 3.02 -0.08 0.00 0.00 -1.26 -4.25 120.51 115.29 1jd2 n ALA 130 Ca -0.10 -0.77 -0.07 0.00 0.00 0.00 0.00 53.44 52.49 1jd2 n ALA 130 Cb 0.38 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1jd2 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jd2 h ALA 131 N 2.90 0.35 -0.64 0.00 0.00 -1.73 -0.51 119.26 119.63 1jd2 h ALA 131 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1jd2 h ALA 131 Cb 1.05 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1jd2 h ALA 131 CO 0.19 -0.30 0.43 0.66 0.00 0.00 0.00 179.25 180.22 1jd2 h SER 132 N 0.23 0.46 0.32 0.00 4.64 -1.81 -0.57 113.55 116.83 1jd2 h SER 132 Ca 0.14 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1jd2 h SER 132 Cb 0.11 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1jd2 h SER 132 CO -0.15 0.28 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.87 1jd2 h LEU 133 N 0.52 -0.37 -0.65 5.97 4.07 -1.53 -3.39 115.31 119.93 1jd2 h LEU 133 Ca 0.29 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 58.13 1jd2 h LEU 133 Cb 0.46 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1jd2 h LEU 133 CO -0.09 0.02 -0.46 0.40 -1.08 0.00 0.00 178.44 177.23 1jd2 h ILE 134 N -0.99 1.31 -0.68 1.22 2.04 -0.93 -3.34 117.51 116.15 1jd2 h ILE 134 Ca -0.04 -1.65 0.13 0.00 1.00 0.00 0.00 64.86 64.30 1jd2 h ILE 134 Cb 0.33 1.65 -0.13 0.00 -0.74 0.00 0.00 36.82 37.93 1jd2 h ILE 134 CO 0.07 0.51 -0.21 0.24 0.00 0.00 0.00 178.15 178.77 1jd2 h MET 135 N 0.42 -0.03 0.02 2.37 2.86 -1.30 -2.28 114.93 116.98 1jd2 h MET 135 Ca 0.03 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1jd2 h MET 135 Cb 0.96 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.58 1jd2 h MET 135 CO 0.09 -0.02 -0.41 -1.35 1.06 0.00 0.00 176.91 176.28 1jd2 h PRO 136 N -0.03 -0.55 -0.95 -0.22 0.11 -1.79 -1.24 132.00 127.33 1jd2 h PRO 136 Ca 0.32 0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.65 1jd2 h PRO 136 Cb 0.52 0.13 -0.18 0.00 0.11 0.00 0.00 31.00 31.58 1jd2 h PRO 136 CO -0.72 -0.37 -0.25 0.35 -0.21 0.00 0.00 178.00 176.80 1jd2 h PHE 137 N -0.57 -0.57 0.18 0.65 3.57 -1.62 0.19 116.94 118.78 1jd2 h PHE 137 Ca 0.04 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1jd2 h PHE 137 Cb 0.65 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1jd2 h PHE 137 CO -0.41 -0.41 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.11 1jd2 h LEU 138 N -0.00 -0.21 -1.64 0.59 -0.00 -0.92 0.30 115.31 113.44 1jd2 h LEU 138 Ca 0.44 0.01 0.18 0.00 -0.00 0.00 0.00 57.88 58.51 1jd2 h LEU 138 Cb 0.68 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.37 1jd2 h LEU 138 CO -0.97 -0.15 0.72 0.44 -0.00 0.00 0.00 178.44 178.48 1jd2 h ASP 139 N -0.25 0.00 0.00 -0.43 3.32 0.28 0.19 116.42 119.53 1jd2 h ASP 139 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jd2 h ASP 139 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1jd2 h ASP 139 CO 0.04 0.00 -0.28 -1.13 -1.72 0.00 0.00 179.24 176.15 1jd2 h ASN 140 N 0.00 0.00 0.44 6.45 -0.00 0.03 0.16 115.58 122.66 1jd2 h ASN 140 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.59 1jd2 h ASN 140 Cb 1.73 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.05 1jd2 h ASN 140 CO -0.00 0.47 0.00 0.00 -0.00 0.00 0.00 177.43 177.90 1jd2 n GLN 141 N -3.83 0.39 0.02 6.67 1.13 0.84 -1.61 117.38 120.99 1jd2 n GLN 141 Ca -0.04 0.05 -0.01 0.00 -1.94 0.00 0.00 57.00 55.06 1jd2 n GLN 141 Cb 0.15 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 1jd2 n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1jd2 n VAL 142 N -1.27 0.70 1.07 5.09 0.31 0.62 -4.70 118.33 120.15 1jd2 n VAL 142 Ca 0.12 0.21 0.09 0.00 -0.01 0.00 0.00 64.34 64.76 1jd2 n VAL 142 Cb 0.19 -1.56 0.29 0.00 -0.91 0.00 0.00 33.84 31.85 1jd2 n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jd2 n ASN 143 N -3.30 1.79 -3.98 4.52 3.02 -1.17 -4.94 115.26 111.20 1jd2 n ASN 143 Ca -0.01 -1.82 -0.35 0.00 -0.03 0.00 0.00 54.58 52.38 1jd2 n ASN 143 Cb 0.24 -0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1jd2 n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1jd2 n PHE 144 N 0.43 -1.57 -2.90 3.10 3.72 -0.63 -4.92 117.46 114.68 1jd2 n PHE 144 Ca 0.15 0.43 -0.37 0.00 -0.05 0.00 0.00 57.45 57.62 1jd2 n PHE 144 Cb 0.32 -3.21 -0.06 0.00 -0.94 0.00 0.00 39.48 35.60 1jd2 n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1jd2 s LYS 144 N -6.82 4.45 0.00 -1.08 -0.14 0.55 -3.87 119.74 112.83 1jd2 s LYS 144 Ca 0.28 1.15 0.00 0.00 -1.36 0.00 0.00 55.97 56.04 1jd2 s LYS 144 Cb -0.13 -2.82 0.00 0.00 -1.68 0.00 0.00 37.83 33.20 1jd2 s LYS 144 CO 0.93 0.32 0.00 0.09 -0.76 0.00 0.00 175.35 175.92 1jd2 n ASN 144 N 0.60 0.00 -4.83 2.83 5.03 -1.26 -4.68 115.26 112.95 1jd2 n ASN 144 Ca 0.00 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.13 1jd2 n ASN 144 Cb 0.51 -0.48 -0.02 0.00 -1.02 0.00 0.00 39.78 38.76 1jd2 n ASN 144 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1jd2 s GLN 144 N 0.00 3.74 0.25 3.52 -0.21 -1.25 -5.07 119.66 120.65 1jd2 s GLN 144 Ca 0.00 1.05 0.02 0.00 0.02 0.00 0.00 55.36 56.45 1jd2 s GLN 144 Cb 0.00 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1jd2 s GLN 144 CO 0.00 -0.45 0.18 0.71 -2.12 0.00 0.00 175.29 173.61 1jd2 s TYR 144 N -2.54 1.40 -0.20 0.91 2.02 -1.26 -3.75 117.35 113.93 1jd2 s TYR 144 Ca 0.61 -1.47 -0.21 0.00 -0.37 0.00 0.00 57.07 55.63 1jd2 s TYR 144 Cb -0.12 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.77 1jd2 s TYR 144 CO 0.32 -0.70 0.65 -1.21 -1.57 0.00 0.00 175.55 173.05 1jd2 s GLU 144 N -3.90 4.22 0.19 -0.62 0.41 -0.61 -4.53 118.70 113.86 1jd2 s GLU 144 Ca 0.39 0.66 -0.30 0.00 -0.41 0.00 0.00 54.97 55.31 1jd2 s GLU 144 Cb 0.05 -3.58 -0.17 0.00 -1.78 0.00 0.00 34.13 28.66 1jd2 s GLU 144 CO 0.18 -0.26 0.79 -2.30 -0.49 0.00 0.00 175.26 173.17 1jd2 n PRO 144 N 5.11 0.46 -0.35 0.39 -0.02 -1.26 -2.07 135.00 137.25 1jd2 n PRO 144 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1jd2 n PRO 144 Cb 0.50 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1jd2 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jd2 n GLY 144 N 1.77 1.54 0.88 -1.23 0.00 -1.26 -4.88 105.19 102.01 1jd2 n GLY 144 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jd2 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jd2 n THR 144 N -2.00 0.75 -4.23 2.61 -2.24 -0.88 -4.85 114.28 103.45 1jd2 n THR 144 Ca 0.00 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 1jd2 n THR 144 Cb 0.00 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 1jd2 n THR 144 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jd2 n ASN 144 N 0.14 -3.33 -3.85 3.42 4.05 -1.26 -1.68 115.26 112.74 1jd2 n ASN 144 Ca 0.07 -1.01 -0.27 0.00 0.45 0.00 0.00 54.58 53.82 1jd2 n ASN 144 Cb 0.51 -2.73 0.02 0.00 1.23 0.00 0.00 39.78 38.81 1jd2 n ASN 144 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jd2 n GLY 144 N -1.37 -0.41 0.00 8.20 0.00 -1.26 -4.88 105.19 105.47 1jd2 n GLY 144 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1jd2 n GLY 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jd2 n LYS 144 N -4.52 1.79 -2.02 1.61 4.76 -0.68 -5.13 118.16 113.98 1jd2 n LYS 144 Ca -0.10 -1.10 -0.01 0.00 -2.87 0.00 0.00 58.31 54.23 1jd2 n LYS 144 Cb 0.59 -0.84 -0.00 0.00 -1.84 0.00 0.00 35.03 32.94 1jd2 n LYS 144 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1jd2 n VAL 144 N -0.31 0.00 -3.84 -0.18 0.31 -1.26 -5.11 118.33 107.94 1jd2 n VAL 144 Ca 0.00 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 1jd2 n VAL 144 Cb 0.31 0.04 -0.09 0.00 -0.91 0.00 0.00 33.84 33.19 1jd2 n VAL 144 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1jd2 s LYS 144 N -2.04 4.09 0.47 5.55 2.20 -1.25 -1.57 119.74 127.19 1jd2 s LYS 144 Ca 0.01 -0.26 -0.24 0.00 -0.36 0.00 0.00 55.97 55.12 1jd2 s LYS 144 Cb 0.00 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1jd2 s LYS 144 CO 0.01 0.31 1.39 -0.35 -0.36 0.00 0.00 175.35 176.34 1jd2 n PRO 144 N 3.47 2.07 -0.94 4.03 -0.04 -1.26 -4.86 135.00 137.47 1jd2 n PRO 144 Ca -0.16 0.74 -0.26 0.00 -0.04 0.00 0.00 63.50 63.78 1jd2 n PRO 144 Cb 0.52 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 1jd2 n PRO 144 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jd2 n LEU 144 N -0.31 6.19 -4.33 1.53 4.77 -1.26 -4.96 117.00 118.63 1jd2 n LEU 144 Ca 0.07 -3.37 -0.29 0.00 -0.03 0.00 0.00 56.01 52.39 1jd2 n LEU 144 Cb 0.42 -1.26 0.24 0.00 -2.33 0.00 0.00 43.42 40.49 1jd2 n LEU 144 CO 0.58 1.22 0.18 1.17 -1.33 0.00 0.00 177.39 179.21 1jd2 n LYS 144 N 3.76 -2.84 -5.06 3.23 4.81 -1.26 -5.00 118.16 115.80 1jd2 n LYS 144 Ca 0.55 -0.82 -0.30 0.00 -0.87 0.00 0.00 58.31 56.88 1jd2 n LYS 144 Cb 0.24 -1.95 -0.17 0.00 0.02 0.00 0.00 35.03 33.18 1jd2 n LYS 144 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1jd2 s TYR 145 N -2.27 2.19 0.46 5.64 6.14 -1.26 -5.06 117.35 123.19 1jd2 s TYR 145 Ca 0.63 -0.78 -0.25 0.00 0.64 0.00 0.00 57.07 57.31 1jd2 s TYR 145 Cb -0.18 -1.47 -0.08 0.00 0.42 0.00 0.00 41.96 40.64 1jd2 s TYR 145 CO 0.62 -0.30 1.43 -0.51 0.64 0.00 0.00 175.55 177.43 1jd2 s LEU 146 N 0.22 4.09 0.46 6.97 1.43 -1.26 -4.98 118.68 125.61 1jd2 s LEU 146 Ca -0.12 2.93 -0.14 0.00 -1.03 0.00 0.00 54.13 55.77 1jd2 s LEU 146 Cb -0.15 -3.96 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 1jd2 s LEU 146 CO 0.06 -1.23 0.90 -0.94 0.23 0.00 0.00 176.35 175.37 1jd2 s SER 147 N -0.52 6.60 0.16 2.29 1.04 -1.26 -4.58 113.70 117.43 1jd2 s SER 147 Ca 0.62 1.40 -0.17 0.00 0.48 0.00 0.00 55.95 58.28 1jd2 s SER 147 Cb -0.44 -2.44 0.09 0.00 0.10 0.00 0.00 66.02 63.33 1jd2 s SER 147 CO 0.56 -0.50 1.67 1.62 0.98 0.00 0.00 173.24 177.58 1jd2 h VAL 148 N 1.05 0.62 -0.23 5.02 3.04 -1.99 0.97 116.25 124.73 1jd2 h VAL 148 Ca -0.47 -0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.27 1jd2 h VAL 148 Cb 1.18 0.61 -0.07 0.00 -2.01 0.00 0.00 31.29 31.01 1jd2 h VAL 148 CO 0.62 0.00 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.65 1jd2 h GLU 149 N 0.01 -0.20 -0.57 4.17 3.07 -2.01 0.50 114.58 119.55 1jd2 h GLU 149 Ca 0.19 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.11 1jd2 h GLU 149 Cb 0.28 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1jd2 h GLU 149 CO -0.39 -0.13 0.38 1.49 -1.40 0.00 0.00 179.01 178.96 1jd2 h GLU 150 N -0.21 0.56 -0.45 2.33 4.57 -1.56 -1.67 114.58 118.15 1jd2 h GLU 150 Ca 0.13 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1jd2 h GLU 150 Cb 0.41 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1jd2 h GLU 150 CO -0.36 0.37 0.17 0.28 -1.18 0.00 0.00 179.01 178.30 1jd2 h VAL 151 N 0.58 1.21 -0.61 0.32 2.07 0.13 -2.22 116.25 117.73 1jd2 h VAL 151 Ca 0.24 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1jd2 h VAL 151 Cb 0.22 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1jd2 h VAL 151 CO -0.07 0.24 0.33 0.40 0.02 0.00 0.00 177.57 178.49 1jd2 h ILE 152 N 0.59 0.97 -0.42 4.57 2.04 -0.32 -1.86 117.51 123.08 1jd2 h ILE 152 Ca 0.15 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1jd2 h ILE 152 Cb 0.21 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 1jd2 h ILE 152 CO -0.01 0.11 -0.45 0.11 0.00 0.00 0.00 178.15 177.91 1jd2 h LYS 153 N 0.62 -0.32 -0.61 2.37 1.57 -1.19 0.20 116.57 119.21 1jd2 h LYS 153 Ca 0.27 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.18 1jd2 h LYS 153 Cb 0.16 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 1jd2 h LYS 153 CO -0.17 -0.21 0.15 -0.07 -0.57 0.00 0.00 179.45 178.58 1jd2 h LEU 154 N -0.33 0.05 0.32 2.94 3.38 -1.16 -1.01 115.31 119.50 1jd2 h LEU 154 Ca 0.13 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1jd2 h LEU 154 Cb 0.59 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1jd2 h LEU 154 CO -0.59 0.03 -0.46 0.58 0.09 0.00 0.00 178.44 178.09 1jd2 h VAL 155 N 0.29 0.09 -0.66 1.22 2.07 0.14 0.35 116.25 119.74 1jd2 h VAL 155 Ca 0.32 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.96 1jd2 h VAL 155 Cb 0.46 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1jd2 h VAL 155 CO -0.39 0.00 0.22 0.03 0.02 0.00 0.00 177.57 177.45 1jd2 h ARG 156 N -0.84 0.36 -0.31 1.57 3.08 -0.46 0.10 114.38 117.88 1jd2 h ARG 156 Ca -0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1jd2 h ARG 156 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1jd2 h ARG 156 CO -0.15 0.24 0.00 -0.44 -1.07 0.00 0.00 179.97 178.55 1jd2 h ASP 157 N 0.37 0.53 -0.73 7.04 3.45 -0.71 0.66 116.42 127.04 1jd2 h ASP 157 Ca 0.35 -0.31 0.12 0.00 0.43 0.00 0.00 57.03 57.62 1jd2 h ASP 157 Cb 0.50 -0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.08 1jd2 h ASP 157 CO -0.38 0.71 0.48 0.28 -1.57 0.00 0.00 179.24 178.76 1jd2 h SER 158 N 0.34 0.48 0.01 6.45 0.02 0.12 0.14 113.55 121.10 1jd2 h SER 158 Ca 0.09 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jd2 h SER 158 Cb 0.43 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jd2 h SER 158 CO 0.02 0.27 -0.00 -0.26 -1.14 0.00 0.00 176.83 175.71 1jd2 h PHE 159 N 0.52 -0.01 -0.55 3.45 -1.00 -0.22 -1.53 116.94 117.60 1jd2 h PHE 159 Ca 0.35 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.21 1jd2 h PHE 159 Cb 0.63 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.12 1jd2 h PHE 159 CO -0.00 0.75 0.16 1.79 -1.61 0.00 0.00 178.31 179.40 1jd2 h THR 160 N -0.78 0.75 -0.59 -1.55 1.35 0.14 0.42 112.91 112.64 1jd2 h THR 160 Ca -0.00 -0.11 0.03 0.00 -0.55 0.00 0.00 66.41 65.78 1jd2 h THR 160 Cb 0.76 0.40 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 1jd2 h THR 160 CO 0.00 0.06 0.35 0.28 -0.25 0.00 0.00 175.52 175.95 1jd2 h SER 161 N 0.32 0.55 -0.70 5.36 0.02 -0.83 -1.15 113.55 117.11 1jd2 h SER 161 Ca 0.28 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1jd2 h SER 161 Cb 0.35 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1jd2 h SER 161 CO -0.31 0.38 0.44 0.00 -1.14 0.00 0.00 176.83 176.19 1jd2 h ALA 162 N 1.27 0.90 -0.96 3.77 0.00 0.15 -2.51 119.26 121.87 1jd2 h ALA 162 Ca 0.24 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1jd2 h ALA 162 Cb 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1jd2 h ALA 162 CO -0.12 0.36 0.63 1.15 0.00 0.00 0.00 179.25 181.27 1jd2 h THR 163 N 0.96 1.16 -0.58 0.00 2.02 0.90 -0.04 112.91 117.33 1jd2 h THR 163 Ca 0.25 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1jd2 h THR 163 Cb -0.05 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.18 1jd2 h THR 163 CO -0.05 0.22 0.21 -0.33 0.37 0.00 0.00 175.52 175.94 1jd2 h GLU 164 N 1.21 0.85 -0.01 6.66 4.39 -0.85 -3.25 114.58 123.57 1jd2 h GLU 164 Ca 0.38 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1jd2 h GLU 164 Cb 0.02 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1jd2 h GLU 164 CO -0.12 0.71 -0.30 0.54 -1.16 0.00 0.00 179.01 178.68 1jd2 n ARG 165 N -4.31 1.86 -4.09 2.33 5.12 -1.01 -4.92 116.66 111.64 1jd2 n ARG 165 Ca 0.05 -0.70 -0.32 0.00 -1.93 0.00 0.00 57.85 54.95 1jd2 n ARG 165 Cb 0.18 -1.20 -0.16 0.00 -1.16 0.00 0.00 32.46 30.12 1jd2 n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1jd2 s HIS 166 N -1.72 2.70 -0.24 -1.55 2.46 -0.06 -4.97 115.29 111.91 1jd2 s HIS 166 Ca 0.11 -1.64 0.24 0.00 0.47 0.00 0.00 55.06 54.24 1jd2 s HIS 166 Cb 0.11 -1.84 1.18 0.00 -0.13 0.00 0.00 32.58 31.90 1jd2 s HIS 166 CO 0.36 -0.79 1.73 -0.84 -2.47 0.00 0.00 174.74 172.73 1jd2 h ILE 167 N 6.09 0.00 0.00 0.89 3.07 -1.87 -1.86 117.51 123.83 1jd2 h ILE 167 Ca -0.40 -0.10 -0.08 0.00 1.55 0.00 0.00 64.86 65.83 1jd2 h ILE 167 Cb 1.12 0.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 1jd2 h ILE 167 CO 0.59 0.00 -1.25 0.00 -1.05 0.00 0.00 178.15 176.44 1jd2 n GLN 168 N -2.33 0.62 -3.44 0.16 6.02 -1.26 -4.89 117.38 112.27 1jd2 n GLN 168 Ca -0.00 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 56.83 1jd2 n GLN 168 Cb 0.11 -1.80 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 1jd2 n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jd2 s VAL 169 N -3.16 5.00 -5.00 5.09 1.01 -0.70 -4.37 120.40 118.27 1jd2 s VAL 169 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1jd2 s VAL 169 Cb 0.09 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1jd2 s VAL 169 CO 0.80 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1jd2 n GLY 170 N -0.35 0.37 5.04 4.51 0.00 -1.26 -4.74 105.19 108.77 1jd2 n GLY 170 Ca -0.01 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1jd2 n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jd2 n ASP 171 N 0.51 0.00 -3.44 1.61 8.00 -0.85 -4.10 116.55 118.28 1jd2 n ASP 171 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1jd2 n ASP 171 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1jd2 n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jd2 s GLY 172 N 0.00 -0.60 -0.18 0.44 0.00 -1.26 -1.48 107.32 104.24 1jd2 s GLY 172 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.19 1jd2 s GLY 172 CO 0.00 0.15 -0.14 -2.27 0.00 0.00 0.00 173.10 170.84 1jd2 s LEU 173 N -2.75 2.11 -0.14 0.66 2.96 -0.38 0.99 118.68 122.11 1jd2 s LEU 173 Ca 0.01 -0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1jd2 s LEU 173 Cb -0.01 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 1jd2 s LEU 173 CO -0.12 -0.08 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.04 1jd2 s GLU 174 N 1.38 3.48 -0.11 1.98 2.12 -1.11 -1.10 118.70 125.34 1jd2 s GLU 174 Ca 0.02 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.75 1jd2 s GLU 174 Cb -0.14 -2.75 -0.00 0.00 0.26 0.00 0.00 34.13 31.49 1jd2 s GLU 174 CO -0.10 0.19 -0.21 0.42 -0.54 0.00 0.00 175.26 175.02 1jd2 s ILE 175 N 0.44 2.31 -0.17 -3.70 1.01 0.71 -2.69 121.20 119.11 1jd2 s ILE 175 Ca -0.08 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1jd2 s ILE 175 Cb -0.15 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1jd2 s ILE 175 CO 0.04 0.55 0.01 -0.76 0.00 0.00 0.00 174.94 174.78 1jd2 s LEU 176 N 0.37 3.50 -0.05 2.97 1.02 -0.24 -1.19 118.68 125.05 1jd2 s LEU 176 Ca -0.16 -0.04 0.04 0.00 0.02 0.00 0.00 54.13 53.99 1jd2 s LEU 176 Cb -0.17 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 1jd2 s LEU 176 CO 0.08 0.16 -0.17 -0.63 0.02 0.00 0.00 176.35 175.81 1jd2 s ILE 177 N 0.41 2.85 -0.13 -0.59 1.09 0.66 -1.74 121.20 123.74 1jd2 s ILE 177 Ca -0.01 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 58.76 1jd2 s ILE 177 Cb -0.13 -2.10 0.02 0.00 -1.06 0.00 0.00 42.46 39.18 1jd2 s ILE 177 CO 0.02 0.58 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.58 1jd2 s VAL 178 N -0.59 1.71 0.21 2.92 1.01 -0.31 -1.22 120.40 124.12 1jd2 s VAL 178 Ca 0.08 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1jd2 s VAL 178 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1jd2 s VAL 178 CO 0.01 0.48 0.26 0.42 0.00 0.00 0.00 175.10 176.27 1jd2 s THR 179 N 1.06 0.02 0.64 3.92 -4.23 -1.14 -2.31 115.64 113.61 1jd2 s THR 179 Ca -0.04 -1.71 0.24 0.00 -1.18 0.00 0.00 61.69 59.01 1jd2 s THR 179 Cb -0.14 -2.27 0.24 0.00 1.34 0.00 0.00 72.50 71.66 1jd2 s THR 179 CO -0.04 -0.08 1.73 0.07 -0.54 0.00 0.00 174.62 175.76 1jd2 h LYS 180 N 2.50 0.00 -0.03 3.99 2.10 -1.96 0.14 116.57 123.31 1jd2 h LYS 180 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1jd2 h LYS 180 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1jd2 h LYS 180 CO 0.47 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.67 1jd2 n ASP 182 N -2.79 1.45 0.00 7.07 8.00 -1.26 -5.04 116.55 123.98 1jd2 n ASP 182 Ca -0.02 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.98 1jd2 n ASP 182 Cb 0.49 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1jd2 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jd2 n GLY 183 N 1.16 0.38 2.89 0.44 0.00 0.47 -5.04 105.19 105.50 1jd2 n GLY 183 Ca 0.19 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1jd2 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jd2 s VAL 184 N -2.01 -0.20 -0.00 1.61 1.01 -1.26 -2.87 120.40 116.68 1jd2 s VAL 184 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1jd2 s VAL 184 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1jd2 s VAL 184 CO 0.00 0.12 -0.09 -0.60 0.00 0.00 0.00 175.10 174.53 1jd2 s ARG 185 N 1.90 2.51 -0.04 2.72 3.52 -0.36 -4.96 118.95 124.23 1jd2 s ARG 185 Ca -0.02 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 1jd2 s ARG 185 Cb -0.12 -2.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.79 1jd2 s ARG 185 CO -0.06 0.60 -0.21 0.15 -0.81 0.00 0.00 175.30 174.97 1jd2 s LYS 186 N -1.33 2.34 0.02 5.12 1.02 -1.26 -0.25 119.74 125.40 1jd2 s LYS 186 Ca 0.16 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.35 1jd2 s LYS 186 Cb -0.11 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1jd2 s LYS 186 CO 0.06 0.56 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.74 1jd2 s GLU 187 N -0.59 0.73 -0.03 1.68 2.02 -0.33 -4.99 118.70 117.19 1jd2 s GLU 187 Ca 0.09 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1jd2 s GLU 187 Cb -0.11 -0.68 0.03 0.00 0.10 0.00 0.00 34.13 33.47 1jd2 s GLU 187 CO 0.00 0.17 -0.00 0.12 0.02 0.00 0.00 175.26 175.57 1jd2 s PHE 188 N -0.71 0.34 0.03 1.61 5.36 -1.26 -0.20 117.98 123.14 1jd2 s PHE 188 Ca -0.00 -0.01 0.06 0.00 -0.96 0.00 0.00 56.93 56.01 1jd2 s PHE 188 Cb -0.06 -0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 42.17 1jd2 s PHE 188 CO 0.00 -0.13 -0.17 0.71 -1.46 0.00 0.00 175.22 174.17 1jd2 s TYR 189 N 1.02 1.50 0.60 10.12 4.12 -0.26 -5.01 117.35 129.44 1jd2 s TYR 189 Ca -0.10 -0.34 -0.14 0.00 0.02 0.00 0.00 57.07 56.52 1jd2 s TYR 189 Cb -0.14 -0.91 -0.04 0.00 -1.52 0.00 0.00 41.96 39.36 1jd2 s TYR 189 CO -0.02 0.04 1.03 -1.21 0.02 0.00 0.00 175.55 175.42 1jd2 s GLU 190 N -0.95 3.45 0.30 -0.62 2.02 -1.26 -1.25 118.70 120.38 1jd2 s GLU 190 Ca 0.05 0.98 0.04 0.00 0.02 0.00 0.00 54.97 56.05 1jd2 s GLU 190 Cb -0.08 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 1jd2 s GLU 190 CO 0.01 -0.69 0.14 1.28 0.02 0.00 0.00 175.26 176.02 1jd2 n LEU 191 N -2.35 0.00 -4.67 1.80 4.77 -0.55 -4.78 117.00 111.22 1jd2 n LEU 191 Ca 0.07 -2.44 -0.43 0.00 -0.03 0.00 0.00 56.01 53.19 1jd2 n LEU 191 Cb 0.54 0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 42.54 1jd2 n LEU 191 CO 0.52 -0.38 0.88 -0.54 -1.33 0.00 0.00 177.39 176.53 1jd2 s LYS 192 N -3.17 4.32 -0.06 3.23 1.02 -1.26 -4.54 119.74 119.28 1jd2 s LYS 192 Ca 0.20 1.38 0.07 0.00 0.02 0.00 0.00 55.97 57.64 1jd2 s LYS 192 Cb 0.01 -3.61 0.32 0.00 -0.52 0.00 0.00 37.83 34.03 1jd2 s LYS 192 CO 0.14 -0.52 1.11 0.54 -0.92 0.00 0.00 175.35 175.69 1jd2 n ARG 193 N 5.87 2.28 0.00 1.68 1.74 -1.26 -2.01 116.66 124.97 1jd2 n ARG 193 Ca 0.11 -1.25 0.15 0.00 -0.77 0.00 0.00 57.85 56.09 1jd2 n ARG 193 Cb 0.47 -1.60 0.64 0.00 -1.02 0.00 0.00 32.46 30.95 1jd2 n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71