#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd2 s SER 2 N 0.00 1.70 0.07 8.00 0.01 -1.26 -1.49 113.70 120.73 1jd2 s SER 2 Ca 0.00 -0.24 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 1jd2 s SER 2 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1jd2 s SER 2 CO 0.00 -0.05 0.21 0.27 0.41 0.00 0.00 173.24 174.08 1jd2 s ILE 3 N 1.15 0.12 0.08 1.44 -4.36 -0.83 -2.16 121.20 116.64 1jd2 s ILE 3 Ca -0.06 -0.99 -0.26 0.00 -0.26 0.00 0.00 60.65 59.07 1jd2 s ILE 3 Cb -0.14 -1.13 0.08 0.00 1.25 0.00 0.00 42.46 42.52 1jd2 s ILE 3 CO -0.02 -0.55 0.81 0.00 0.24 0.00 0.00 174.94 175.42 1jd2 s MET 4 N -3.24 1.05 -0.01 0.37 0.23 -0.87 -0.78 119.30 116.06 1jd2 s MET 4 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 55.69 54.24 1jd2 s MET 4 Cb 0.02 0.45 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1jd2 s MET 4 CO -0.08 -0.46 -0.03 0.00 -2.03 0.00 0.00 175.02 172.41 1jd2 s ALA 5 N -3.36 0.36 -0.04 3.16 0.00 0.62 -2.13 121.76 120.38 1jd2 s ALA 5 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1jd2 s ALA 5 Cb -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1jd2 s ALA 5 CO -0.08 0.05 -0.04 0.08 0.00 0.00 0.00 175.76 175.77 1jd2 s VAL 6 N 0.16 0.47 0.05 0.00 1.01 -0.22 -1.77 120.40 120.10 1jd2 s VAL 6 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1jd2 s VAL 6 Cb -0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1jd2 s VAL 6 CO -0.00 0.20 0.34 0.42 0.00 0.00 0.00 175.10 176.05 1jd2 s THR 7 N 0.77 5.20 0.13 3.92 -4.23 -0.88 -0.41 115.64 120.14 1jd2 s THR 7 Ca -0.10 0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1jd2 s THR 7 Cb -0.13 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1jd2 s THR 7 CO -0.00 0.30 0.19 2.22 -0.54 0.00 0.00 174.62 176.78 1jd2 n PHE 8 N 0.91 -0.81 -0.02 3.99 -0.00 -0.19 -4.60 117.46 116.74 1jd2 n PHE 8 Ca -0.09 -0.91 -0.03 0.00 -0.00 0.00 0.00 57.45 56.43 1jd2 n PHE 8 Cb 0.52 0.21 -0.02 0.00 -0.00 0.00 0.00 39.48 40.19 1jd2 n PHE 8 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1jd2 h LYS 9 N 0.00 -0.10 0.00 3.97 3.64 -1.70 -2.40 116.57 119.98 1jd2 h LYS 9 Ca -0.10 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1jd2 h LYS 9 Cb 0.46 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1jd2 h LYS 9 CO 0.14 -0.06 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.77 1jd2 h ASP 10 N -0.10 0.00 0.00 4.20 3.45 -1.97 -3.46 116.42 118.54 1jd2 h ASP 10 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1jd2 h ASP 10 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1jd2 h ASP 10 CO -0.11 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.22 1jd2 n GLY 11 N -1.02 -0.75 3.35 2.75 0.00 -0.90 -4.37 105.19 104.25 1jd2 n GLY 11 Ca -0.02 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1jd2 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jd2 s VAL 12 N 0.00 0.05 -0.02 1.61 0.11 -1.09 -1.02 120.40 120.04 1jd2 s VAL 12 Ca 0.00 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1jd2 s VAL 12 Cb 0.00 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1jd2 s VAL 12 CO 0.00 -0.21 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.87 1jd2 s ILE 13 N -2.69 0.48 -0.10 7.04 1.01 0.45 -1.67 121.20 125.73 1jd2 s ILE 13 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1jd2 s ILE 13 Cb -0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1jd2 s ILE 13 CO -0.04 0.17 -0.03 -0.76 0.00 0.00 0.00 174.94 174.28 1jd2 s LEU 14 N 0.37 3.35 -0.01 2.97 1.02 -0.43 -1.05 118.68 124.90 1jd2 s LEU 14 Ca -0.05 0.02 -0.07 0.00 0.02 0.00 0.00 54.13 54.05 1jd2 s LEU 14 Cb -0.08 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.37 1jd2 s LEU 14 CO -0.00 0.32 0.15 -0.83 0.02 0.00 0.00 176.35 176.00 1jd2 s GLY 15 N -0.53 0.01 0.24 -3.19 0.00 -0.90 0.22 107.32 103.15 1jd2 s GLY 15 Ca 0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 44.72 44.63 1jd2 s GLY 15 CO 0.02 -0.13 0.57 0.00 0.00 0.00 0.00 173.10 173.56 1jd2 s ALA 16 N -1.08 -0.79 0.50 3.20 0.00 0.14 -2.05 121.76 121.68 1jd2 s ALA 16 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1jd2 s ALA 16 Cb -0.06 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1jd2 s ALA 16 CO 0.01 -0.89 0.00 -0.40 0.00 0.00 0.00 175.76 174.48 1jd2 n ASP 17 N -0.39 0.00 -2.69 0.00 5.75 -0.92 -0.94 116.55 117.37 1jd2 n ASP 17 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.65 1jd2 n ASP 17 Cb 0.61 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.77 1jd2 n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1jd2 n SER 18 N 0.00 0.05 -3.88 -1.12 3.41 -0.81 -4.58 113.62 106.68 1jd2 n SER 18 Ca 0.00 -2.54 -0.26 0.00 -0.26 0.00 0.00 58.87 55.82 1jd2 n SER 18 Cb 0.00 0.12 -0.17 0.00 -0.26 0.00 0.00 64.21 63.90 1jd2 n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1jd2 s ARG 19 N -1.76 1.32 -0.11 4.33 3.52 -1.26 -2.71 118.95 122.28 1jd2 s ARG 19 Ca 0.24 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1jd2 s ARG 19 Cb 0.43 -1.42 -0.02 0.00 -1.56 0.00 0.00 34.95 32.37 1jd2 s ARG 19 CO -0.02 -0.25 -0.12 0.95 -0.81 0.00 0.00 175.30 175.05 1jd2 s THR 20 N 1.69 3.22 0.15 4.11 -4.23 -0.73 -4.61 115.64 115.24 1jd2 s THR 20 Ca 0.03 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 1jd2 s THR 20 Cb -0.13 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1jd2 s THR 20 CO -0.07 0.55 -0.18 0.42 -0.54 0.00 0.00 174.62 174.80 1jd2 s THR 21 N -0.04 1.71 -0.33 3.99 -4.23 -1.26 -1.12 115.64 114.36 1jd2 s THR 21 Ca -0.02 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1jd2 s THR 21 Cb -0.14 -1.75 0.09 0.00 1.34 0.00 0.00 72.50 72.04 1jd2 s THR 21 CO 0.04 -0.31 0.03 0.42 -0.54 0.00 0.00 174.62 174.25 1jd2 s THR 22 N -1.97 2.35 0.00 3.99 -4.23 -0.58 -4.89 115.64 110.30 1jd2 s THR 22 Ca 0.13 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1jd2 s THR 22 Cb -0.06 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1jd2 s THR 22 CO 0.06 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1jd2 n GLY 23 N 4.32 3.34 0.81 3.99 0.00 -1.26 -1.31 105.19 115.09 1jd2 n GLY 23 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1jd2 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jd2 n ALA 24 N 11.07 2.26 -2.70 4.61 0.00 -1.26 -4.96 120.51 129.53 1jd2 n ALA 24 Ca 0.00 -1.12 -0.36 0.00 0.00 0.00 0.00 53.44 51.96 1jd2 n ALA 24 Cb 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1jd2 n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1jd2 s TYR 25 N -1.03 3.62 -0.60 0.00 5.04 -0.43 -5.04 117.35 118.92 1jd2 s TYR 25 Ca 0.29 0.70 -0.21 0.00 -2.44 0.00 0.00 57.07 55.40 1jd2 s TYR 25 Cb 0.15 -2.07 0.07 0.00 0.35 0.00 0.00 41.96 40.46 1jd2 s TYR 25 CO 0.20 0.64 0.85 0.42 -1.34 0.00 0.00 175.55 176.33 1jd2 s ILE 26 N -1.18 4.53 -0.00 3.14 1.01 -1.26 -1.53 121.20 125.90 1jd2 s ILE 26 Ca 0.24 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 1jd2 s ILE 26 Cb -0.14 -4.55 -0.17 0.00 0.01 0.00 0.00 42.46 37.61 1jd2 s ILE 26 CO 0.12 -1.21 1.20 0.00 0.00 0.00 0.00 174.94 175.05 1jd2 h ALA 27 N 9.34 -0.32 -3.31 9.38 0.00 -1.46 -3.43 119.26 129.45 1jd2 h ALA 27 Ca -0.28 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 53.94 1jd2 h ALA 27 Cb 1.08 0.13 -0.35 0.00 0.00 0.00 0.00 17.79 18.64 1jd2 h ALA 27 CO 1.11 -0.49 -0.80 1.21 0.00 0.00 0.00 179.25 180.29 1jd2 s ASN 28 N -5.21 1.80 0.00 0.00 3.84 -1.08 -5.02 114.94 109.27 1jd2 s ASN 28 Ca -0.14 -0.25 0.24 0.00 0.21 0.00 0.00 52.86 52.92 1jd2 s ASN 28 Cb 0.02 -0.74 0.24 0.00 -0.55 0.00 0.00 41.25 40.22 1jd2 s ASN 28 CO 0.55 -0.06 1.28 -2.11 -2.79 0.00 0.00 177.10 173.97 1jd2 n ARG 29 N 4.44 2.05 -0.59 0.43 1.85 -1.26 -1.77 116.66 121.82 1jd2 n ARG 29 Ca -0.18 -1.66 0.05 0.00 -1.00 0.00 0.00 57.85 55.07 1jd2 n ARG 29 Cb 0.51 -1.47 0.10 0.00 -1.05 0.00 0.00 32.46 30.55 1jd2 n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1jd2 n VAL 30 N 0.97 1.17 -1.09 8.89 0.24 -1.10 -4.47 118.33 122.94 1jd2 n VAL 30 Ca 0.14 -1.76 -0.35 0.00 -2.04 0.00 0.00 64.34 60.33 1jd2 n VAL 30 Cb 0.55 0.17 0.09 0.00 -1.47 0.00 0.00 33.84 33.19 1jd2 n VAL 30 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1jd2 n THR 31 N -0.65 1.24 -3.93 3.34 -1.04 -1.14 -4.98 114.28 107.12 1jd2 n THR 31 Ca 0.11 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.05 61.47 1jd2 n THR 31 Cb 0.77 -0.76 -0.14 0.00 -1.82 0.00 0.00 70.33 68.38 1jd2 n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jd2 s ASP 32 N -1.72 4.34 0.00 8.00 3.68 -1.26 -4.61 116.67 125.09 1jd2 s ASP 32 Ca 0.64 -0.72 0.23 0.00 2.13 0.00 0.00 52.55 54.82 1jd2 s ASP 32 Cb -0.30 -1.70 0.33 0.00 -1.45 0.00 0.00 42.92 39.80 1jd2 s ASP 32 CO 0.60 -0.10 1.33 0.29 0.13 0.00 0.00 175.17 177.42 1jd2 n LYS 33 N 4.72 2.37 -3.53 4.34 5.02 -1.26 -4.78 118.16 125.04 1jd2 n LYS 33 Ca -0.17 -2.12 -0.42 0.00 -2.02 0.00 0.00 58.31 53.59 1jd2 n LYS 33 Cb 0.48 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 1jd2 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jd2 s LEU 34 N -1.64 5.01 -0.02 -0.35 1.43 -1.26 -0.47 118.68 121.38 1jd2 s LEU 34 Ca 0.34 -1.09 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1jd2 s LEU 34 Cb 0.21 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1jd2 s LEU 34 CO 0.30 -0.46 -0.13 -0.89 0.23 0.00 0.00 176.35 175.40 1jd2 s THR 35 N 1.58 3.17 0.19 5.49 2.01 -0.24 -4.95 115.64 122.89 1jd2 s THR 35 Ca 0.03 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 1jd2 s THR 35 Cb -0.20 -2.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.93 1jd2 s THR 35 CO 0.07 0.49 0.67 -0.60 -0.69 0.00 0.00 174.62 174.56 1jd2 s ARG 36 N -1.04 4.20 0.00 4.92 3.52 -1.26 -1.01 118.95 128.28 1jd2 s ARG 36 Ca 0.13 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1jd2 s ARG 36 Cb -0.11 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1jd2 s ARG 36 CO 0.03 0.44 0.16 1.33 -0.81 0.00 0.00 175.30 176.46 1jd2 n VAL 37 N 0.86 0.00 -3.64 7.11 0.24 -0.65 -4.87 118.33 117.38 1jd2 n VAL 37 Ca -0.04 -0.28 -0.03 0.00 -2.04 0.00 0.00 64.34 61.96 1jd2 n VAL 37 Cb 0.51 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 1jd2 n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1jd2 s HIS 38 N -0.23 -0.04 0.21 6.34 5.65 -0.84 -4.56 115.29 121.83 1jd2 s HIS 38 Ca 0.00 0.05 -0.04 0.00 0.25 0.00 0.00 55.06 55.31 1jd2 s HIS 38 Cb 0.00 0.50 0.39 0.00 -1.18 0.00 0.00 32.58 32.29 1jd2 s HIS 38 CO 0.00 -0.06 1.16 -0.25 -0.65 0.00 0.00 174.74 174.94 1jd2 n ASP 39 N 0.17 -0.23 -2.19 9.88 8.00 -1.26 -1.25 116.55 129.67 1jd2 n ASP 39 Ca 0.03 1.27 -0.13 0.00 0.71 0.00 0.00 54.79 56.67 1jd2 n ASP 39 Cb 0.57 -0.40 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 1jd2 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jd2 n LYS 40 N -5.17 2.72 -3.60 -1.24 5.02 -1.26 -4.96 118.16 109.68 1jd2 n LYS 40 Ca 0.13 -3.81 -0.18 0.00 -2.02 0.00 0.00 58.31 52.43 1jd2 n LYS 40 Cb 0.41 -1.93 -0.15 0.00 -0.02 0.00 0.00 35.03 33.35 1jd2 n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jd2 s ILE 41 N -4.08 -0.28 0.36 -0.18 1.01 -0.38 -0.97 121.20 116.68 1jd2 s ILE 41 Ca 0.41 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.24 1jd2 s ILE 41 Cb 0.38 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 42.33 1jd2 s ILE 41 CO -0.00 -0.02 0.07 0.26 0.00 0.00 0.00 174.94 175.25 1jd2 s TRP 42 N 2.30 1.92 0.11 3.97 0.52 0.88 -1.64 118.94 127.00 1jd2 s TRP 42 Ca 0.04 -1.04 -0.07 0.00 0.02 0.00 0.00 56.10 55.05 1jd2 s TRP 42 Cb -0.14 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 1jd2 s TRP 42 CO -0.08 -0.05 0.17 0.00 0.02 0.00 0.00 176.95 177.00 1jd2 s ARG 45 N -0.19 3.70 -0.05 0.00 0.52 0.38 -2.24 118.95 121.07 1jd2 s ARG 45 Ca 0.02 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 1jd2 s ARG 45 Cb -0.13 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.41 1jd2 s ARG 45 CO 0.03 0.24 0.13 -1.54 0.02 0.00 0.00 175.30 174.18 1jd2 s SER 46 N 0.37 -0.13 0.00 0.23 1.04 -1.04 -4.89 113.70 109.28 1jd2 s SER 46 Ca -0.03 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1jd2 s SER 46 Cb -0.14 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1jd2 s SER 46 CO 0.03 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1jd2 n GLY 47 N 2.96 0.18 3.74 7.32 0.00 -1.26 -0.74 105.19 117.39 1jd2 n GLY 47 Ca -0.13 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1jd2 n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jd2 s SER 48 N -4.00 6.38 0.04 1.61 0.15 0.61 -4.90 113.70 113.58 1jd2 s SER 48 Ca 0.00 2.92 -0.22 0.00 0.70 0.00 0.00 55.95 59.35 1jd2 s SER 48 Cb 0.00 -2.62 -0.15 0.00 -1.71 0.00 0.00 66.02 61.54 1jd2 s SER 48 CO 0.00 -0.93 1.39 0.00 1.20 0.00 0.00 173.24 174.90 1jd2 h ALA 49 N 5.56 0.17 0.10 5.45 0.00 -1.95 -2.52 119.26 126.07 1jd2 h ALA 49 Ca -0.46 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1jd2 h ALA 49 Cb 1.21 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1jd2 h ALA 49 CO 0.85 -0.05 -0.42 0.00 0.00 0.00 0.00 179.25 179.63 1jd2 h ALA 50 N 0.66 -0.74 -0.86 0.00 0.00 -1.97 -1.26 119.26 115.09 1jd2 h ALA 50 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1jd2 h ALA 50 Cb 0.51 0.72 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1jd2 h ALA 50 CO 0.02 -0.99 0.56 -0.44 0.00 0.00 0.00 179.25 178.40 1jd2 h ASP 51 N -0.64 0.79 0.09 0.00 5.19 -1.89 -1.85 116.42 118.11 1jd2 h ASP 51 Ca 0.02 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1jd2 h ASP 51 Cb 0.68 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1jd2 h ASP 51 CO -0.26 0.48 -0.04 0.71 -3.12 0.00 0.00 179.24 177.01 1jd2 h THR 52 N 0.88 1.09 -0.66 0.35 1.35 -0.99 -1.85 112.91 113.07 1jd2 h THR 52 Ca 0.39 -1.37 0.14 0.00 -0.55 0.00 0.00 66.41 65.02 1jd2 h THR 52 Cb 0.36 1.87 -0.12 0.00 -1.73 0.00 0.00 68.15 68.53 1jd2 h THR 52 CO -0.16 0.30 -0.07 1.56 -0.25 0.00 0.00 175.52 176.90 1jd2 h GLN 53 N -0.83 0.06 0.07 4.72 4.20 -1.05 0.89 115.11 123.16 1jd2 h GLN 53 Ca -0.01 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1jd2 h GLN 53 Cb 0.58 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1jd2 h GLN 53 CO 0.02 0.04 -0.15 0.00 -0.67 0.00 0.00 178.83 178.07 1jd2 h ALA 54 N 1.63 -0.23 -0.86 3.87 0.00 -1.38 -1.03 119.26 121.25 1jd2 h ALA 54 Ca 0.33 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1jd2 h ALA 54 Cb 0.54 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1jd2 h ALA 54 CO -0.62 -0.67 0.56 0.82 0.00 0.00 0.00 179.25 179.35 1jd2 h ILE 55 N -0.29 1.09 0.38 0.00 2.04 -0.03 -1.64 117.51 119.06 1jd2 h ILE 55 Ca 0.03 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1jd2 h ILE 55 Cb 0.32 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1jd2 h ILE 55 CO -0.10 0.18 -0.18 0.00 0.00 0.00 0.00 178.15 178.05 1jd2 h ALA 56 N 1.52 -0.51 -0.81 1.87 0.00 -0.24 -2.33 119.26 118.76 1jd2 h ALA 56 Ca 0.36 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.28 1jd2 h ALA 56 Cb 0.14 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 1jd2 h ALA 56 CO -0.12 -0.65 0.11 -0.44 0.00 0.00 0.00 179.25 178.15 1jd2 h ASP 57 N -0.79 -0.19 0.29 0.00 3.45 -0.89 1.14 116.42 119.42 1jd2 h ASP 57 Ca -0.05 0.19 -0.05 0.00 0.43 0.00 0.00 57.03 57.55 1jd2 h ASP 57 Cb 0.53 0.31 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1jd2 h ASP 57 CO 0.09 -0.16 -0.24 0.40 -1.57 0.00 0.00 179.24 177.76 1jd2 h ILE 58 N 0.16 1.07 0.01 0.35 2.04 -1.21 -2.60 117.51 117.33 1jd2 h ILE 58 Ca 0.47 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1jd2 h ILE 58 Cb 0.87 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1jd2 h ILE 58 CO -0.65 0.23 -0.01 0.58 0.00 0.00 0.00 178.15 178.30 1jd2 h VAL 59 N 0.00 1.52 -0.79 1.67 2.07 0.18 -2.41 116.25 118.48 1jd2 h VAL 59 Ca -0.00 -1.68 0.17 0.00 0.82 0.00 0.00 66.70 66.01 1jd2 h VAL 59 Cb 0.45 2.64 -0.15 0.00 -1.52 0.00 0.00 31.29 32.71 1jd2 h VAL 59 CO 0.03 0.43 -0.10 -0.61 0.02 0.00 0.00 177.57 177.34 1jd2 h GLN 60 N -0.74 0.04 0.31 1.57 4.15 -0.68 0.47 115.11 120.22 1jd2 h GLN 60 Ca -0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1jd2 h GLN 60 Cb 0.71 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1jd2 h GLN 60 CO 0.00 0.02 -0.30 -0.92 -1.93 0.00 0.00 178.83 175.70 1jd2 h TYR 61 N 0.04 -0.84 -1.27 3.99 3.20 -1.50 0.34 116.97 120.91 1jd2 h TYR 61 Ca 0.41 0.01 0.37 0.00 3.14 0.00 0.00 58.73 62.66 1jd2 h TYR 61 Cb 0.69 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 1jd2 h TYR 61 CO -0.54 -0.41 0.87 0.45 -1.64 0.00 0.00 178.16 176.89 1jd2 h HIS 62 N -0.61 0.35 0.14 -3.82 3.86 0.25 0.53 115.15 115.84 1jd2 h HIS 62 Ca -0.04 0.01 -0.33 0.00 -1.16 0.00 0.00 60.37 58.85 1jd2 h HIS 62 Cb 0.53 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1jd2 h HIS 62 CO -0.17 -0.04 -1.72 -0.07 0.86 0.00 0.00 177.93 176.78 1jd2 h LEU 63 N 0.14 0.45 -1.39 2.43 3.38 0.25 -2.56 115.31 118.01 1jd2 h LEU 63 Ca 0.69 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jd2 h LEU 63 Cb 2.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.89 1jd2 h LEU 63 CO -0.21 1.62 0.24 -0.08 0.09 0.00 0.00 178.44 180.10 1jd2 h GLU 64 N 0.08 0.65 0.00 1.13 4.81 0.39 0.47 114.58 122.12 1jd2 h GLU 64 Ca -0.32 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 58.68 1jd2 h GLU 64 Cb 2.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 31.28 1jd2 h GLU 64 CO 0.15 0.50 -0.76 1.25 -0.73 0.00 0.00 179.01 179.42 1jd2 h LEU 65 N 0.66 0.00 0.38 1.64 5.85 -0.99 -2.87 115.31 119.97 1jd2 h LEU 65 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1jd2 h LEU 65 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1jd2 h LEU 65 CO -0.02 0.76 -0.18 0.22 -0.34 0.00 0.00 178.44 178.87 1jd2 h TYR 66 N 0.00 -0.47 0.00 1.25 3.20 -0.36 -3.05 116.97 117.53 1jd2 h TYR 66 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1jd2 h TYR 66 Cb 1.45 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.87 1jd2 h TYR 66 CO 0.00 -0.15 0.00 2.41 -1.64 0.00 0.00 178.16 178.78 1jd2 n THR 67 N -5.20 0.00 -0.18 1.81 -1.04 0.14 0.47 114.28 110.28 1jd2 n THR 67 Ca -0.10 1.30 0.04 0.00 -2.04 0.00 0.00 64.05 63.25 1jd2 n THR 67 Cb 0.27 -1.90 0.08 0.00 -1.82 0.00 0.00 70.33 66.97 1jd2 n THR 67 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1jd2 n SER 68 N -2.07 -0.17 0.13 8.00 7.64 -1.09 0.50 113.62 126.57 1jd2 n SER 68 Ca 0.00 0.87 -0.24 0.00 1.01 0.00 0.00 58.87 60.52 1jd2 n SER 68 Cb 0.00 -0.27 -0.16 0.00 -1.01 0.00 0.00 64.21 62.77 1jd2 n SER 68 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1jd2 h GLN 69 N 0.00 0.49 0.00 1.43 4.20 -1.18 -3.41 115.11 116.63 1jd2 h GLN 69 Ca 0.25 -0.84 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1jd2 h GLN 69 Cb 0.41 0.31 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1jd2 h GLN 69 CO -0.52 1.40 -0.22 0.66 -0.67 0.00 0.00 178.83 179.48 1jd2 n TYR 70 N -3.67 0.00 -0.00 2.96 4.02 0.18 -5.11 117.16 115.53 1jd2 n TYR 70 Ca -0.18 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 1jd2 n TYR 70 Cb 1.10 -0.08 -0.00 0.00 -0.02 0.00 0.00 39.34 40.34 1jd2 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jd2 n GLY 72 N -0.55 -1.65 3.68 2.72 0.00 0.18 -4.89 105.19 104.68 1jd2 n GLY 72 Ca 0.06 -1.52 -0.59 0.00 0.00 0.00 0.00 46.02 43.97 1jd2 n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jd2 n THR 73 N -1.86 0.16 -2.80 2.61 -1.04 -1.26 -4.14 114.28 105.95 1jd2 n THR 73 Ca -0.00 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 1jd2 n THR 73 Cb 0.00 -0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.55 1jd2 n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jd2 s PRO 74 N 2.57 4.33 0.68 -2.82 0.04 -1.26 -5.05 135.00 133.49 1jd2 s PRO 74 Ca 0.97 1.19 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 1jd2 s PRO 74 Cb -1.16 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1jd2 s PRO 74 CO 0.65 0.06 1.04 -1.54 0.04 0.00 0.00 177.00 177.24 1jd2 s SER 75 N -2.00 5.40 0.06 6.66 1.04 -1.26 -4.94 113.70 118.68 1jd2 s SER 75 Ca 0.58 0.94 -0.17 0.00 0.48 0.00 0.00 55.95 57.78 1jd2 s SER 75 Cb -0.12 -1.78 -0.13 0.00 0.10 0.00 0.00 66.02 64.09 1jd2 s SER 75 CO 0.17 -1.30 1.35 0.74 0.98 0.00 0.00 173.24 175.17 1jd2 h THR 76 N -0.52 1.34 -1.41 2.02 2.02 -1.95 -2.49 112.91 111.90 1jd2 h THR 76 Ca -0.45 -1.50 0.41 0.00 0.77 0.00 0.00 66.41 65.64 1jd2 h THR 76 Cb 1.26 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 69.45 1jd2 h THR 76 CO 0.63 0.46 1.01 -0.08 0.37 0.00 0.00 175.52 177.90 1jd2 h GLU 77 N 0.20 0.02 0.09 6.66 4.81 -1.99 0.44 114.58 124.80 1jd2 h GLU 77 Ca 0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1jd2 h GLU 77 Cb 0.86 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1jd2 h GLU 77 CO 0.07 0.01 -0.04 1.15 -0.73 0.00 0.00 179.01 179.47 1jd2 h THR 78 N 0.02 0.73 -0.99 0.32 2.02 -1.85 -1.99 112.91 111.16 1jd2 h THR 78 Ca 0.68 -1.35 0.32 0.00 0.77 0.00 0.00 66.41 66.83 1jd2 h THR 78 Cb 2.68 1.32 -0.15 0.00 -1.74 0.00 0.00 68.15 70.25 1jd2 h THR 78 CO -0.03 0.22 0.54 0.00 0.37 0.00 0.00 175.52 176.62 1jd2 h ALA 79 N -0.54 1.89 0.39 6.16 0.00 0.20 0.24 119.26 127.61 1jd2 h ALA 79 Ca -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1jd2 h ALA 79 Cb 0.46 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jd2 h ALA 79 CO 0.02 -0.57 -0.19 0.00 0.00 0.00 0.00 179.25 178.51 1jd2 h ALA 80 N 1.85 -0.53 -1.16 0.00 0.00 -1.07 -2.89 119.26 115.46 1jd2 h ALA 80 Ca 0.72 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.77 1jd2 h ALA 80 Cb 1.63 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.54 1jd2 h ALA 80 CO -0.62 -0.62 0.77 1.03 0.00 0.00 0.00 179.25 179.81 1jd2 h SER 81 N -0.87 0.29 0.51 0.00 0.87 -0.19 0.21 113.55 114.36 1jd2 h SER 81 Ca -0.05 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1jd2 h SER 81 Cb 0.55 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1jd2 h SER 81 CO 0.09 0.01 -0.25 0.58 -0.53 0.00 0.00 176.83 176.73 1jd2 h VAL 82 N 0.23 0.00 -0.80 2.23 2.07 -1.12 -0.14 116.25 118.72 1jd2 h VAL 82 Ca 0.64 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 68.33 1jd2 h VAL 82 Cb 1.96 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.59 1jd2 h VAL 82 CO -0.24 0.00 0.01 -0.26 0.02 0.00 0.00 177.57 177.10 1jd2 h PHE 83 N -0.71 -0.04 0.26 1.57 0.04 -0.57 0.16 116.94 117.64 1jd2 h PHE 83 Ca -0.07 0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1jd2 h PHE 83 Cb 0.53 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 1jd2 h PHE 83 CO 0.10 -0.27 -0.45 -0.22 -0.60 0.00 0.00 178.31 176.87 1jd2 h LYS 84 N 0.10 -0.76 -0.78 1.51 3.64 -0.55 0.18 116.57 119.91 1jd2 h LYS 84 Ca 0.45 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 60.05 1jd2 h LYS 84 Cb 0.81 0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 32.66 1jd2 h LYS 84 CO -0.71 -0.50 -0.10 1.49 -2.27 0.00 0.00 179.45 177.36 1jd2 h GLU 85 N -0.78 0.04 0.58 1.90 4.57 0.12 0.53 114.58 121.53 1jd2 h GLU 85 Ca -0.01 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1jd2 h GLU 85 Cb 0.75 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1jd2 h GLU 85 CO -0.17 0.03 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.33 1jd2 h LEU 86 N 0.04 -0.66 -0.79 1.64 3.38 -0.45 -1.65 115.31 116.82 1jd2 h LEU 86 Ca 0.40 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.55 1jd2 h LEU 86 Cb 0.67 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1jd2 h LEU 86 CO -0.75 -0.36 0.32 0.00 0.09 0.00 0.00 178.44 177.74 1jd2 h TYR 88 N 0.44 0.84 -0.40 0.00 5.03 -0.03 -2.98 116.97 119.86 1jd2 h TYR 88 Ca 0.45 -0.42 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 1jd2 h TYR 88 Cb 0.72 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.88 1jd2 h TYR 88 CO -0.16 1.24 -0.08 1.49 -1.32 0.00 0.00 178.16 179.33 1jd2 h GLU 89 N 0.19 0.70 -0.78 1.82 4.57 -0.78 -3.09 114.58 117.21 1jd2 h GLU 89 Ca -0.08 -0.21 -0.50 0.00 -1.18 0.00 0.00 59.36 57.39 1jd2 h GLU 89 Cb 1.41 -0.07 -0.28 0.00 -0.16 0.00 0.00 28.75 29.66 1jd2 h GLU 89 CO 0.15 0.77 0.22 0.09 -1.18 0.00 0.00 179.01 179.06 1jd2 n ASN 90 N -4.19 5.06 -0.33 1.04 3.02 -0.47 -4.83 115.26 114.56 1jd2 n ASN 90 Ca 0.01 -3.75 0.10 0.00 -0.03 0.00 0.00 54.58 50.91 1jd2 n ASN 90 Cb 0.33 -0.73 0.30 0.00 -0.61 0.00 0.00 39.78 39.08 1jd2 n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1jd2 h LYS 91 N 1.61 0.83 0.00 3.52 2.10 -1.44 -2.27 116.57 120.92 1jd2 h LYS 91 Ca 0.46 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 59.03 1jd2 h LYS 91 Cb 1.55 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1jd2 h LYS 91 CO 1.02 0.55 -0.14 -0.44 -2.00 0.00 0.00 179.45 178.43 1jd2 h ASP 92 N 0.85 0.00 -0.57 7.07 3.45 -1.89 -2.93 116.42 122.40 1jd2 h ASP 92 Ca 0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.96 1jd2 h ASP 92 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1jd2 h ASP 92 CO -0.27 0.14 0.00 0.59 -1.57 0.00 0.00 179.24 178.14 1jd2 n ASN 94 N -3.63 3.54 -4.16 6.45 3.02 -0.86 -4.99 115.26 114.63 1jd2 n ASN 94 Ca -0.02 -2.01 -0.17 0.00 -0.03 0.00 0.00 54.58 52.35 1jd2 n ASN 94 Cb 0.27 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 38.94 1jd2 n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jd2 s LEU 95 N -1.02 2.29 -0.41 3.41 1.43 -1.11 -5.05 118.68 118.22 1jd2 s LEU 95 Ca 0.38 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1jd2 s LEU 95 Cb 0.20 -0.44 0.17 0.00 0.03 0.00 0.00 46.19 46.15 1jd2 s LEU 95 CO 0.26 -0.12 0.37 -0.89 0.23 0.00 0.00 176.35 176.20 1jd2 s THR 96 N -1.44 0.17 -0.12 5.49 2.01 -1.26 -4.94 115.64 115.55 1jd2 s THR 96 Ca -0.02 -2.37 -0.06 0.00 0.31 0.00 0.00 61.69 59.55 1jd2 s THR 96 Cb -0.09 -1.10 0.05 0.00 0.01 0.00 0.00 72.50 71.37 1jd2 s THR 96 CO 0.02 -1.08 0.27 0.00 -0.69 0.00 0.00 174.62 173.14 1jd2 s ALA 97 N 0.26 -0.64 -0.13 7.40 0.00 -1.26 -0.28 121.76 127.11 1jd2 s ALA 97 Ca 0.31 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1jd2 s ALA 97 Cb 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1jd2 s ALA 97 CO -0.16 -0.25 -0.21 0.20 0.00 0.00 0.00 175.76 175.34 1jd2 s GLY 98 N 1.38 1.38 0.05 0.00 0.00 0.08 -4.35 107.32 105.87 1jd2 s GLY 98 Ca -0.08 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.66 1jd2 s GLY 98 CO -0.09 -0.15 -0.14 -0.42 0.00 0.00 0.00 173.10 172.30 1jd2 s ILE 99 N 0.59 1.10 -0.12 0.90 1.01 0.27 -2.51 121.20 122.45 1jd2 s ILE 99 Ca -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1jd2 s ILE 99 Cb -0.16 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1jd2 s ILE 99 CO 0.03 -0.07 -0.16 -0.63 0.00 0.00 0.00 174.94 174.12 1jd2 s ILE 100 N -0.98 2.81 -0.13 2.92 1.01 -0.95 -0.07 121.20 125.80 1jd2 s ILE 100 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1jd2 s ILE 100 Cb -0.08 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1jd2 s ILE 100 CO 0.02 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.69 1jd2 s VAL 101 N 0.32 3.26 -0.04 2.92 1.01 0.46 -0.27 120.40 128.06 1jd2 s VAL 101 Ca -0.13 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1jd2 s VAL 101 Cb -0.16 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1jd2 s VAL 101 CO 0.06 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.60 1jd2 s ALA 102 N 0.31 0.92 0.23 5.51 0.00 0.11 -1.81 121.76 127.03 1jd2 s ALA 102 Ca -0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 1jd2 s ALA 102 Cb -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1jd2 s ALA 102 CO 0.05 0.11 0.37 0.20 0.00 0.00 0.00 175.76 176.48 1jd2 s GLY 103 N 0.45 0.82 0.19 0.00 0.00 -1.15 -0.09 107.32 107.54 1jd2 s GLY 103 Ca -0.08 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.56 1jd2 s GLY 103 CO 0.01 -0.87 -0.06 -0.47 0.00 0.00 0.00 173.10 171.71 1jd2 s TYR 104 N -4.06 1.47 -0.02 1.90 6.14 -0.15 -2.95 117.35 119.68 1jd2 s TYR 104 Ca 0.28 -0.80 0.06 0.00 0.64 0.00 0.00 57.07 57.24 1jd2 s TYR 104 Cb 0.02 -0.79 -0.08 0.00 0.42 0.00 0.00 41.96 41.52 1jd2 s TYR 104 CO 0.10 0.07 0.10 -3.47 0.64 0.00 0.00 175.55 172.99 1jd2 n ASP 105 N -0.33 3.66 -0.04 4.32 2.03 -1.26 -4.87 116.55 120.07 1jd2 n ASP 105 Ca -0.08 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.06 1jd2 n ASP 105 Cb 0.62 1.08 -0.14 0.00 -0.72 0.00 0.00 41.12 41.96 1jd2 n ASP 105 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1jd2 n LYS 105 N -1.85 0.71 0.00 -0.67 0.00 -1.26 -4.49 118.16 110.60 1jd2 n LYS 105 Ca -0.03 0.22 0.11 0.00 0.00 0.00 0.00 58.31 58.61 1jd2 n LYS 105 Cb 0.31 -1.67 0.08 0.00 0.00 0.00 0.00 35.03 33.75 1jd2 n LYS 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1jd2 n ASN 106 N -3.29 2.72 0.00 3.14 3.02 -1.26 -5.07 115.26 114.53 1jd2 n ASN 106 Ca -0.32 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 1jd2 n ASN 106 Cb 1.05 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 1jd2 n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1jd2 n LYS 107 N 1.07 0.00 -4.14 3.52 4.81 -1.26 -4.66 118.16 117.50 1jd2 n LYS 107 Ca 0.12 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.24 1jd2 n LYS 107 Cb 0.54 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.52 1jd2 n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1jd2 s GLY 108 N 0.00 1.98 -0.04 3.14 0.00 -1.26 -4.41 107.32 106.73 1jd2 s GLY 108 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 1jd2 s GLY 108 CO 0.00 -0.77 0.17 -0.54 0.00 0.00 0.00 173.10 171.96 1jd2 s GLU 109 N -1.72 0.31 -0.07 2.90 2.02 -1.15 -4.96 118.70 116.03 1jd2 s GLU 109 Ca 0.22 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.27 1jd2 s GLU 109 Cb -0.12 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.27 1jd2 s GLU 109 CO 0.13 -0.06 -0.11 0.08 0.02 0.00 0.00 175.26 175.33 1jd2 s VAL 110 N -0.40 1.05 0.13 2.63 1.01 -1.25 -2.95 120.40 120.61 1jd2 s VAL 110 Ca -0.05 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1jd2 s VAL 110 Cb -0.03 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1jd2 s VAL 110 CO 0.01 0.34 -0.23 -0.31 0.00 0.00 0.00 175.10 174.90 1jd2 s TYR 111 N 0.77 2.06 -0.04 5.22 1.51 -0.75 -0.67 117.35 125.45 1jd2 s TYR 111 Ca -0.13 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1jd2 s TYR 111 Cb -0.15 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1jd2 s TYR 111 CO 0.02 0.31 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.65 1jd2 s THR 112 N -1.30 0.54 -0.32 -0.71 -1.32 0.32 -0.40 115.64 112.44 1jd2 s THR 112 Ca 0.12 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.50 1jd2 s THR 112 Cb -0.09 -0.56 0.09 0.00 -1.51 0.00 0.00 72.50 70.43 1jd2 s THR 112 CO 0.06 0.22 0.02 -0.63 -2.21 0.00 0.00 174.62 172.08 1jd2 s ILE 113 N 0.85 2.34 0.55 5.08 1.09 0.90 -0.54 121.20 131.46 1jd2 s ILE 113 Ca -0.11 -2.14 -0.12 0.00 -1.10 0.00 0.00 60.65 57.18 1jd2 s ILE 113 Cb -0.14 -2.63 -0.05 0.00 -1.06 0.00 0.00 42.46 38.58 1jd2 s ILE 113 CO 0.00 -0.46 0.96 -2.16 -0.10 0.00 0.00 174.94 173.18 1jd2 s PRO 114 N 0.97 3.71 0.15 2.79 0.04 -1.25 -0.56 135.00 140.85 1jd2 s PRO 114 Ca 0.06 0.71 0.10 0.00 0.04 0.00 0.00 61.00 61.91 1jd2 s PRO 114 Cb -0.19 -2.17 0.52 0.00 0.04 0.00 0.00 34.50 32.70 1jd2 s PRO 114 CO -0.07 -0.39 0.56 1.28 0.04 0.00 0.00 177.00 178.43 1jd2 n LEU 115 N -2.22 0.09 0.07 -3.56 4.32 -1.26 0.33 117.00 114.77 1jd2 n LEU 115 Ca 0.05 0.53 -0.05 0.00 -0.02 0.00 0.00 56.01 56.52 1jd2 n LEU 115 Cb 0.54 -0.26 0.15 0.00 -1.62 0.00 0.00 43.42 42.24 1jd2 n LEU 115 CO 0.53 -0.58 0.55 1.23 -1.22 0.00 0.00 177.39 177.91 1jd2 h GLY 116 N 0.00 0.33 0.00 -0.72 0.00 -1.91 -3.47 103.07 97.29 1jd2 h GLY 116 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1jd2 h GLY 116 CO -0.20 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.27 1jd2 n GLY 117 N 0.06 1.18 3.86 4.60 0.00 0.15 -4.57 105.19 110.47 1jd2 n GLY 117 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1jd2 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jd2 s SER 118 N -1.85 6.39 -0.05 1.61 1.04 -1.26 -4.45 113.70 115.14 1jd2 s SER 118 Ca 0.00 1.45 0.06 0.00 0.48 0.00 0.00 55.95 57.94 1jd2 s SER 118 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 1jd2 s SER 118 CO 0.00 -0.73 -0.23 -0.69 0.98 0.00 0.00 173.24 172.57 1jd2 s VAL 119 N -2.92 2.28 -0.07 5.02 1.01 -1.26 -3.82 120.40 120.63 1jd2 s VAL 119 Ca 0.56 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1jd2 s VAL 119 Cb -0.11 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1jd2 s VAL 119 CO 0.44 0.58 -0.07 -1.00 0.00 0.00 0.00 175.10 175.05 1jd2 s HIS 120 N -0.39 1.12 -0.18 5.22 3.76 0.30 -4.94 115.29 120.17 1jd2 s HIS 120 Ca 0.03 -0.42 -0.09 0.00 -0.15 0.00 0.00 55.06 54.44 1jd2 s HIS 120 Cb -0.12 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.60 1jd2 s HIS 120 CO 0.02 -0.30 0.11 0.21 -0.85 0.00 0.00 174.74 173.92 1jd2 s LYS 121 N 1.12 3.98 0.26 1.40 2.20 -1.26 0.12 119.74 127.55 1jd2 s LYS 121 Ca -0.07 -0.24 -0.21 0.00 -0.36 0.00 0.00 55.97 55.09 1jd2 s LYS 121 Cb -0.14 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1jd2 s LYS 121 CO -0.01 0.39 0.68 -0.51 -0.36 0.00 0.00 175.35 175.53 1jd2 s LEU 122 N 0.09 -0.25 0.26 5.43 1.43 0.15 -4.99 118.68 120.81 1jd2 s LEU 122 Ca 0.08 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1jd2 s LEU 122 Cb -0.12 2.62 0.39 0.00 0.03 0.00 0.00 46.19 49.11 1jd2 s LEU 122 CO -0.00 -1.27 1.88 -0.65 0.23 0.00 0.00 176.35 176.53 1jd2 h PRO 123 N 2.03 1.10 -3.15 1.29 0.11 -1.96 -3.34 132.00 128.08 1jd2 h PRO 123 Ca -0.22 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1jd2 h PRO 123 Cb 1.26 -0.25 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 1jd2 h PRO 123 CO 0.26 0.73 0.11 1.52 -0.21 0.00 0.00 178.00 180.41 1jd2 s TYR 124 N -6.05 -0.36 -0.02 0.65 -0.00 -1.26 -2.08 117.35 108.23 1jd2 s TYR 124 Ca -0.12 0.09 -0.18 0.00 -0.00 0.00 0.00 57.07 56.85 1jd2 s TYR 124 Cb 0.20 0.47 0.03 0.00 -0.00 0.00 0.00 41.96 42.66 1jd2 s TYR 124 CO 0.81 -0.85 0.38 0.00 -0.00 0.00 0.00 175.55 175.89 1jd2 s ALA 125 N -3.80 -0.98 0.14 9.51 0.00 -0.73 -4.97 121.76 120.94 1jd2 s ALA 125 Ca 0.04 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1jd2 s ALA 125 Cb -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1jd2 s ALA 125 CO -0.10 -0.28 -0.12 0.96 0.00 0.00 0.00 175.76 176.22 1jd2 s ILE 126 N -1.30 1.26 0.22 0.00 -4.36 -1.26 -0.28 121.20 115.48 1jd2 s ILE 126 Ca -0.13 -1.96 -0.22 0.00 -0.26 0.00 0.00 60.65 58.08 1jd2 s ILE 126 Cb -0.04 -1.75 0.06 0.00 1.25 0.00 0.00 42.46 41.98 1jd2 s ILE 126 CO 0.05 -0.63 0.95 0.00 0.24 0.00 0.00 174.94 175.55 1jd2 s ALA 127 N -2.91 -1.44 0.00 2.27 0.00 0.04 -4.95 121.76 114.78 1jd2 s ALA 127 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1jd2 s ALA 127 Cb -0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1jd2 s ALA 127 CO 0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1jd2 n GLY 128 N -0.58 1.48 0.33 0.00 0.00 -1.26 -1.96 105.19 103.22 1jd2 n GLY 128 Ca -0.05 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1jd2 n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jd2 h SER 129 N 0.00 -1.01 0.22 1.61 4.64 -1.67 -0.17 113.55 117.17 1jd2 h SER 129 Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1jd2 h SER 129 Cb 0.00 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1jd2 h SER 129 CO 0.00 -0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.28 1jd2 n GLY 130 N -1.50 -0.67 0.16 -0.77 0.00 -1.06 -2.78 105.19 98.57 1jd2 n GLY 130 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jd2 n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jd2 h SER 131 N 0.00 0.01 -1.04 1.61 4.64 -1.20 -3.10 113.55 114.48 1jd2 h SER 131 Ca 0.00 -0.01 0.28 0.00 -0.47 0.00 0.00 61.79 61.60 1jd2 h SER 131 Cb 0.11 -0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.07 1jd2 h SER 131 CO 0.00 0.52 0.63 0.71 -0.87 0.00 0.00 176.83 177.81 1jd2 h THR 132 N 0.01 0.45 0.00 2.95 1.35 -1.69 -0.05 112.91 115.94 1jd2 h THR 132 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1jd2 h THR 132 Cb 0.90 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1jd2 h THR 132 CO 0.07 0.08 0.00 0.49 -0.25 0.00 0.00 175.52 175.91 1jd2 n PHE 133 N -4.85 0.00 -0.74 4.73 3.72 -1.17 -3.81 117.46 115.35 1jd2 n PHE 133 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1jd2 n PHE 133 Cb 0.88 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 1jd2 n PHE 133 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1jd2 n ILE 134 N -0.66 0.24 0.14 4.37 -5.35 -0.03 -4.70 119.36 113.37 1jd2 n ILE 134 Ca 0.07 -0.25 0.18 0.00 -0.27 0.00 0.00 62.75 62.48 1jd2 n ILE 134 Cb 0.03 0.93 0.77 0.00 -1.74 0.00 0.00 39.64 39.64 1jd2 n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1jd2 h TYR 135 N 0.00 0.00 0.00 4.28 0.05 -1.66 -1.17 116.97 118.48 1jd2 h TYR 135 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jd2 h TYR 135 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1jd2 h TYR 135 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1jd2 n GLY 136 N -1.48 -1.11 0.34 3.88 0.00 -1.26 -2.27 105.19 103.29 1jd2 n GLY 136 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1jd2 n GLY 136 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jd2 h TYR 137 N 0.00 -1.44 -0.16 1.61 3.20 -1.77 -0.82 116.97 117.58 1jd2 h TYR 137 Ca 0.00 0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1jd2 h TYR 137 Cb 0.00 0.71 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 1jd2 h TYR 137 CO 0.08 -0.33 -0.42 0.00 -1.64 0.00 0.00 178.16 175.85 1jd2 h ASP 139 N -0.47 0.00 0.57 0.00 1.82 -0.83 -0.13 116.42 117.38 1jd2 h ASP 139 Ca 0.08 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.52 1jd2 h ASP 139 Cb 0.62 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.59 1jd2 h ASP 139 CO -0.42 0.00 -1.58 0.29 -1.61 0.00 0.00 179.24 175.92 1jd2 n LYS 140 N -3.33 0.63 0.00 0.28 4.76 0.14 -4.48 118.16 116.17 1jd2 n LYS 140 Ca 0.00 0.20 0.06 0.00 -2.87 0.00 0.00 58.31 55.71 1jd2 n LYS 140 Cb 0.34 -1.77 -0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1jd2 n LYS 140 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jd2 n ASN 141 N -2.88 1.39 -4.72 4.39 4.13 0.69 -4.99 115.26 113.27 1jd2 n ASN 141 Ca -0.13 -1.20 -0.41 0.00 1.68 0.00 0.00 54.58 54.53 1jd2 n ASN 141 Cb 0.90 0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 39.58 1jd2 n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1jd2 s PHE 142 N -1.63 3.69 -0.03 3.10 5.36 -0.55 -5.03 117.98 122.88 1jd2 s PHE 142 Ca 0.11 1.57 0.04 0.00 -0.96 0.00 0.00 56.93 57.68 1jd2 s PHE 142 Cb 0.10 -2.97 -0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1jd2 s PHE 142 CO 0.33 0.12 -0.15 1.03 -1.46 0.00 0.00 175.22 175.09 1jd2 s ARG 143 N 0.52 1.42 0.32 10.12 0.52 -1.26 -5.01 118.95 125.59 1jd2 s ARG 143 Ca 0.45 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 54.85 1jd2 s ARG 143 Cb -0.21 -1.30 -0.09 0.00 0.52 0.00 0.00 34.95 33.87 1jd2 s ARG 143 CO 0.25 0.25 1.11 -2.00 0.02 0.00 0.00 175.30 174.92 1jd2 s GLU 144 N -0.07 4.45 -0.57 3.54 2.12 -1.26 -4.08 118.70 122.83 1jd2 s GLU 144 Ca -0.00 1.76 -0.02 0.00 0.36 0.00 0.00 54.97 57.07 1jd2 s GLU 144 Cb -0.09 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1jd2 s GLU 144 CO 0.01 0.05 0.48 0.09 -0.54 0.00 0.00 175.26 175.35 1jd2 n ASN 145 N 0.75 -2.93 -4.91 -1.70 5.03 -1.26 -5.02 115.26 105.22 1jd2 n ASN 145 Ca 0.01 -0.26 -0.28 0.00 0.87 0.00 0.00 54.58 54.92 1jd2 n ASN 145 Cb 0.46 -2.54 0.08 0.00 -1.02 0.00 0.00 39.78 36.77 1jd2 n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1jd2 s MET 146 N -5.07 2.04 0.56 3.52 -1.94 -1.26 -4.53 119.30 112.61 1jd2 s MET 146 Ca 0.12 0.02 -0.02 0.00 -1.71 0.00 0.00 55.69 54.11 1jd2 s MET 146 Cb -0.05 -2.01 0.02 0.00 2.01 0.00 0.00 34.83 34.80 1jd2 s MET 146 CO 0.32 -1.50 0.81 -1.54 -0.01 0.00 0.00 175.02 173.11 1jd2 s SER 147 N -4.56 5.40 0.05 3.03 1.04 -1.26 -2.36 113.70 115.03 1jd2 s SER 147 Ca 0.61 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 57.11 1jd2 s SER 147 Cb -0.11 -1.23 -0.10 0.00 0.10 0.00 0.00 66.02 64.68 1jd2 s SER 147 CO 0.48 -1.09 1.33 0.50 0.98 0.00 0.00 173.24 175.43 1jd2 h LYS 148 N -0.00 -0.60 -1.03 4.02 3.64 -1.99 0.41 116.57 121.01 1jd2 h LYS 148 Ca -0.44 0.04 0.34 0.00 -1.27 0.00 0.00 60.65 59.32 1jd2 h LYS 148 Cb 1.28 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 33.09 1jd2 h LYS 148 CO 0.56 -0.40 0.60 1.05 -2.27 0.00 0.00 179.45 178.99 1jd2 h GLU 149 N -0.62 0.25 -0.14 1.90 4.11 -2.00 0.26 114.58 118.34 1jd2 h GLU 149 Ca -0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1jd2 h GLU 149 Cb 0.53 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jd2 h GLU 149 CO -0.01 0.17 -0.14 0.93 0.07 0.00 0.00 179.01 180.02 1jd2 h GLU 150 N 0.26 0.35 -0.22 1.06 5.08 -1.81 -3.13 114.58 116.17 1jd2 h GLU 150 Ca 0.75 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.92 1jd2 h GLU 150 Cb 1.83 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 1jd2 h GLU 150 CO -0.60 0.74 0.08 1.15 -1.00 0.00 0.00 179.01 179.38 1jd2 h THR 151 N -0.03 1.17 -0.99 1.13 2.02 0.16 -1.04 112.91 115.34 1jd2 h THR 151 Ca 0.02 -0.53 0.20 0.00 0.77 0.00 0.00 66.41 66.87 1jd2 h THR 151 Cb 0.68 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 68.10 1jd2 h THR 151 CO 0.04 0.17 0.61 0.58 0.37 0.00 0.00 175.52 177.29 1jd2 h VAL 152 N 0.20 0.69 0.62 3.16 2.07 -1.25 -0.11 116.25 121.62 1jd2 h VAL 152 Ca 0.07 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1jd2 h VAL 152 Cb 0.19 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1jd2 h VAL 152 CO -0.01 0.13 -0.30 0.44 0.02 0.00 0.00 177.57 177.86 1jd2 h ASP 153 N 0.70 -0.70 -0.88 0.57 3.45 -1.30 0.36 116.42 118.62 1jd2 h ASP 153 Ca 0.57 -0.02 0.23 0.00 0.43 0.00 0.00 57.03 58.24 1jd2 h ASP 153 Cb 0.97 0.18 -0.15 0.00 -0.56 0.00 0.00 39.33 39.77 1jd2 h ASP 153 CO -0.35 -0.34 0.16 0.15 -1.57 0.00 0.00 179.24 177.28 1jd2 h PHE 154 N -1.10 0.20 -0.22 4.55 3.57 -0.54 0.13 116.94 123.53 1jd2 h PHE 154 Ca -0.08 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1jd2 h PHE 154 Cb 0.68 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1jd2 h PHE 154 CO 0.00 -0.26 -0.13 0.82 -2.23 0.00 0.00 178.31 176.51 1jd2 h ILE 155 N 0.14 1.31 -0.52 1.41 2.04 -0.86 -1.85 117.51 119.19 1jd2 h ILE 155 Ca 0.54 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 65.23 1jd2 h ILE 155 Cb 1.08 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 1jd2 h ILE 155 CO -0.71 0.38 0.24 0.50 0.00 0.00 0.00 178.15 178.55 1jd2 h LYS 156 N 0.18 0.44 0.59 2.37 3.64 0.22 -2.61 116.57 121.40 1jd2 h LYS 156 Ca 0.05 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1jd2 h LYS 156 Cb 0.64 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1jd2 h LYS 156 CO 0.04 0.29 -0.28 0.45 -2.27 0.00 0.00 179.45 177.68 1jd2 h HIS 157 N 0.45 -0.73 -0.94 1.91 3.86 -0.87 -0.92 115.15 117.90 1jd2 h HIS 157 Ca 0.24 -0.02 0.27 0.00 -1.16 0.00 0.00 60.37 59.70 1jd2 h HIS 157 Cb 0.20 0.24 -0.17 0.00 1.06 0.00 0.00 27.41 28.74 1jd2 h HIS 157 CO -0.12 -0.45 0.12 0.77 0.86 0.00 0.00 177.93 179.10 1jd2 h SER 158 N -1.03 -0.29 0.42 2.45 0.02 -1.28 0.47 113.55 114.31 1jd2 h SER 158 Ca -0.08 0.25 -0.26 0.00 -0.84 0.00 0.00 61.79 60.86 1jd2 h SER 158 Cb 0.60 0.40 0.01 0.00 0.14 0.00 0.00 62.40 63.55 1jd2 h SER 158 CO 0.13 -0.30 -1.12 -0.07 -1.14 0.00 0.00 176.83 174.33 1jd2 h LEU 159 N 0.06 0.54 -0.96 5.07 3.38 -1.50 -2.09 115.31 119.82 1jd2 h LEU 159 Ca 0.59 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1jd2 h LEU 159 Cb 1.25 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1jd2 h LEU 159 CO -0.83 1.34 0.59 0.77 0.09 0.00 0.00 178.44 180.40 1jd2 h SER 160 N 0.17 0.86 0.81 -0.43 4.64 0.13 0.19 113.55 119.93 1jd2 h SER 160 Ca -0.12 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1jd2 h SER 160 Cb 1.79 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.77 1jd2 h SER 160 CO 0.19 0.47 -0.39 1.56 -0.87 0.00 0.00 176.83 177.80 1jd2 h GLN 161 N 0.95 -1.05 -0.98 4.77 1.08 -1.12 -2.15 115.11 116.62 1jd2 h GLN 161 Ca 0.47 0.07 0.27 0.00 -1.45 0.00 0.00 58.65 58.01 1jd2 h GLN 161 Cb 0.44 0.24 -0.13 0.00 -0.05 0.00 0.00 27.48 27.97 1jd2 h GLN 161 CO -0.26 -0.69 0.54 0.00 -0.95 0.00 0.00 178.83 177.47 1jd2 h ALA 162 N -1.14 1.77 -0.18 3.87 0.00 -0.59 1.35 119.26 124.33 1jd2 h ALA 162 Ca -0.11 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jd2 h ALA 162 Cb 0.84 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1jd2 h ALA 162 CO 0.18 -0.39 -0.09 0.82 0.00 0.00 0.00 179.25 179.77 1jd2 h ILE 163 N 0.45 1.17 0.14 0.00 2.04 -0.40 -0.90 117.51 120.02 1jd2 h ILE 163 Ca 0.66 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1jd2 h ILE 163 Cb 1.35 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1jd2 h ILE 163 CO -0.54 0.23 -0.07 0.50 0.00 0.00 0.00 178.15 178.27 1jd2 h LYS 164 N 0.26 -0.19 0.19 2.37 3.64 0.24 -3.36 116.57 119.73 1jd2 h LYS 164 Ca 0.06 0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.13 1jd2 h LYS 164 Cb 0.33 0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jd2 h LYS 164 CO 0.02 0.09 -1.49 -1.49 -2.27 0.00 0.00 179.45 174.31 1jd2 h TRP 165 N -0.46 0.73 -3.42 1.91 4.06 -1.33 -3.45 115.95 113.99 1jd2 h TRP 165 Ca -0.02 -0.53 -0.59 0.00 2.06 0.00 0.00 58.89 59.81 1jd2 h TRP 165 Cb 0.36 -0.03 -0.10 0.00 -1.00 0.00 0.00 29.16 28.39 1jd2 h TRP 165 CO 0.01 1.49 -0.19 0.34 -3.56 0.00 0.00 178.44 176.54 1jd2 s ASP 166 N -7.32 6.50 0.01 -3.49 2.15 -0.35 -4.95 116.67 109.22 1jd2 s ASP 166 Ca -0.09 0.59 0.28 0.00 0.43 0.00 0.00 52.55 53.76 1jd2 s ASP 166 Cb 0.05 -2.24 0.98 0.00 -0.30 0.00 0.00 42.92 41.41 1jd2 s ASP 166 CO 0.90 -0.05 1.75 0.61 -0.17 0.00 0.00 175.17 178.21 1jd2 n GLY 167 N 3.71 -1.43 0.04 2.66 0.00 -1.26 -2.97 105.19 105.93 1jd2 n GLY 167 Ca -0.08 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1jd2 n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jd2 n SER 168 N -1.55 0.12 -4.07 1.61 7.64 -1.26 -4.79 113.62 111.32 1jd2 n SER 168 Ca 0.06 -1.54 -0.11 0.00 1.01 0.00 0.00 58.87 58.30 1jd2 n SER 168 Cb 0.35 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 1jd2 n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1jd2 s SER 169 N -1.48 0.73 0.00 6.43 0.01 -1.16 -1.35 113.70 116.88 1jd2 s SER 169 Ca 0.24 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1jd2 s SER 169 Cb 0.11 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1jd2 s SER 169 CO 0.18 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1jd2 n GLY 170 N 1.00 -0.57 7.00 3.44 0.00 -1.26 -4.81 105.19 109.99 1jd2 n GLY 170 Ca -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1jd2 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jd2 n GLY 171 N 0.00 0.81 3.59 -0.02 0.00 -1.26 -1.93 105.19 106.38 1jd2 n GLY 171 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1jd2 n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jd2 s VAL 172 N 0.00 2.15 -0.12 1.61 -7.23 -1.26 -4.43 120.40 111.12 1jd2 s VAL 172 Ca 0.00 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 1jd2 s VAL 172 Cb 0.00 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1jd2 s VAL 172 CO 0.00 -0.10 0.06 -0.63 -0.31 0.00 0.00 175.10 174.13 1jd2 s ILE 173 N -2.65 4.84 0.03 -0.62 1.01 0.72 -3.03 121.20 121.49 1jd2 s ILE 173 Ca 0.34 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 61.03 1jd2 s ILE 173 Cb 0.06 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1jd2 s ILE 173 CO 0.18 0.57 -0.22 -0.13 0.00 0.00 0.00 174.94 175.33 1jd2 s ARG 174 N -0.59 1.59 0.04 2.79 0.52 -0.11 -0.04 118.95 123.15 1jd2 s ARG 174 Ca 0.11 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1jd2 s ARG 174 Cb -0.12 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 1jd2 s ARG 174 CO 0.02 0.44 -0.04 -1.64 0.02 0.00 0.00 175.30 174.10 1jd2 s MET 175 N -1.02 0.51 -0.03 3.54 -1.94 0.07 -0.68 119.30 119.74 1jd2 s MET 175 Ca 0.09 -0.95 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1jd2 s MET 175 Cb -0.09 0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1jd2 s MET 175 CO 0.01 -0.06 -0.03 0.08 -0.01 0.00 0.00 175.02 175.01 1jd2 s VAL 176 N -2.64 0.37 -0.14 -6.03 1.01 0.13 -1.43 120.40 111.66 1jd2 s VAL 176 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1jd2 s VAL 176 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1jd2 s VAL 176 CO -0.05 0.16 -0.08 -0.69 0.00 0.00 0.00 175.10 174.45 1jd2 s VAL 177 N 0.66 3.48 -0.33 2.92 1.01 -0.45 -1.32 120.40 126.37 1jd2 s VAL 177 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1jd2 s VAL 177 Cb -0.11 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.85 1jd2 s VAL 177 CO -0.01 0.51 0.04 -0.76 0.00 0.00 0.00 175.10 174.88 1jd2 s LEU 178 N 0.38 4.34 0.00 3.92 1.02 -0.67 -2.15 118.68 125.52 1jd2 s LEU 178 Ca -0.07 -1.69 0.07 0.00 0.02 0.00 0.00 54.13 52.45 1jd2 s LEU 178 Cb -0.15 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 1jd2 s LEU 178 CO 0.04 -0.34 0.24 0.35 0.02 0.00 0.00 176.35 176.66 1jd2 n THR 179 N 4.49 0.00 -0.29 5.49 -2.24 -1.11 -2.65 114.28 117.96 1jd2 n THR 179 Ca -0.07 -2.42 -0.06 0.00 -2.27 0.00 0.00 64.05 59.24 1jd2 n THR 179 Cb 0.42 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 69.81 1jd2 n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jd2 h ALA 180 N 1.94 1.02 0.00 6.98 0.00 -1.98 -2.40 119.26 124.82 1jd2 h ALA 180 Ca -0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jd2 h ALA 180 Cb 1.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1jd2 h ALA 180 CO 0.39 0.62 0.00 0.00 0.00 0.00 0.00 179.25 180.27 1jd2 n ALA 181 N -2.42 1.20 0.00 0.00 0.00 -1.26 -4.94 120.51 113.10 1jd2 n ALA 181 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1jd2 n ALA 181 Cb 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1jd2 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jd2 n GLY 183 N -1.02 0.29 2.92 0.00 0.00 -0.90 -5.06 105.19 101.41 1jd2 n GLY 183 Ca 0.01 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.00 -0.21 -0.06 1.61 1.01 -1.26 -2.74 120.40 114.75 1jd2 s VAL 184 Ca 0.00 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1jd2 s VAL 184 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1jd2 s VAL 184 CO 0.00 0.11 -0.23 -0.70 0.00 0.00 0.00 175.10 174.28 1jd2 s GLU 185 N 1.90 2.53 -0.46 2.72 2.12 -0.91 -4.96 118.70 121.64 1jd2 s GLU 185 Ca -0.02 -0.88 -0.15 0.00 0.36 0.00 0.00 54.97 54.29 1jd2 s GLU 185 Cb -0.12 -2.19 0.07 0.00 0.26 0.00 0.00 34.13 32.15 1jd2 s GLU 185 CO -0.07 0.42 0.37 1.03 -0.54 0.00 0.00 175.26 176.48 1jd2 s ARG 186 N -0.25 2.93 -0.03 4.30 1.81 -1.26 -1.34 118.95 125.11 1jd2 s ARG 186 Ca -0.01 -1.34 -0.02 0.00 -1.72 0.00 0.00 55.73 52.64 1jd2 s ARG 186 Cb -0.13 -4.08 -0.04 0.00 -0.45 0.00 0.00 34.95 30.25 1jd2 s ARG 186 CO 0.03 -1.00 0.11 -0.51 -0.68 0.00 0.00 175.30 173.25 1jd2 s LEU 187 N 1.62 4.06 0.01 2.53 1.43 -0.52 -5.01 118.68 122.80 1jd2 s LEU 187 Ca 0.04 0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1jd2 s LEU 187 Cb -0.24 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1jd2 s LEU 187 CO 0.06 0.30 0.03 -0.51 0.23 0.00 0.00 176.35 176.46 1jd2 s ILE 187 N -1.18 0.08 -0.03 -0.59 2.07 -1.26 -0.75 121.20 119.54 1jd2 s ILE 187 Ca 0.22 -0.66 -0.01 0.00 -1.41 0.00 0.00 60.65 58.79 1jd2 s ILE 187 Cb -0.12 -0.27 0.03 0.00 0.13 0.00 0.00 42.46 42.23 1jd2 s ILE 187 CO 0.13 -0.36 0.04 -0.36 -1.91 0.00 0.00 174.94 172.48 1jd2 s PHE 187 N -1.13 0.03 0.66 3.50 0.08 0.94 -4.98 117.98 117.08 1jd2 s PHE 187 Ca -0.12 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 1jd2 s PHE 187 Cb -0.07 -0.32 0.05 0.00 -0.57 0.00 0.00 43.02 42.11 1jd2 s PHE 187 CO -0.00 -0.13 0.94 0.71 -0.10 0.00 0.00 175.22 176.65 1jd2 s TYR 187 N 1.45 2.93 0.06 0.36 2.02 -1.26 -0.20 117.35 122.71 1jd2 s TYR 187 Ca -0.04 0.34 -0.34 0.00 -0.37 0.00 0.00 57.07 56.66 1jd2 s TYR 187 Cb -0.13 -3.04 -0.19 0.00 -0.40 0.00 0.00 41.96 38.20 1jd2 s TYR 187 CO -0.03 -1.22 1.58 -1.35 -1.57 0.00 0.00 175.55 172.95 1jd2 h PRO 187 N -0.39 -1.03 0.00 -1.71 0.11 -1.99 -2.63 132.00 124.36 1jd2 h PRO 187 Ca -0.44 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1jd2 h PRO 187 Cb 1.31 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.65 1jd2 h PRO 187 CO 0.58 -0.68 0.39 -0.25 -0.21 0.00 0.00 178.00 177.84 1jd2 n ASP 187 N -5.54 0.03 -0.05 -2.05 8.00 -1.26 -1.42 116.55 114.26 1jd2 n ASP 187 Ca -0.15 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1jd2 n ASP 187 Cb 0.43 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1jd2 n ASP 187 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1jd2 n GLU 187 N -1.27 0.34 0.26 -1.24 2.13 -1.10 -4.75 120.64 115.01 1jd2 n GLU 187 Ca -0.00 0.14 0.12 0.00 0.66 0.00 0.00 57.16 58.08 1jd2 n GLU 187 Cb 0.40 -1.09 0.67 0.00 0.27 0.00 0.00 31.44 31.69 1jd2 n GLU 187 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 1jd2 h TYR 187 N -0.62 0.00 -0.65 4.31 -0.00 -0.88 -3.23 116.97 115.91 1jd2 h TYR 187 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.53 1jd2 h TYR 187 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.58 1jd2 h TYR 187 CO -0.20 0.14 0.20 0.93 -0.00 0.00 0.00 178.16 179.24 1jd2 h GLU 187 N 0.00 1.01 -3.61 0.10 5.08 -1.59 -3.37 114.58 112.20 1jd2 h GLU 187 Ca -0.00 -0.22 -0.74 0.00 -1.00 0.00 0.00 59.36 57.40 1jd2 h GLU 187 Cb 0.43 -0.14 -0.31 0.00 0.50 0.00 0.00 28.75 29.22 1jd2 h GLU 187 CO 0.02 0.88 -0.05 -0.65 -1.00 0.00 0.00 179.01 178.21 1jd2 s GLN 187 N -5.41 3.27 0.00 2.33 1.11 -1.22 -5.08 119.66 114.67 1jd2 s GLN 187 Ca -0.12 -2.74 0.00 0.00 0.01 0.00 0.00 55.36 52.50 1jd2 s GLN 187 Cb 0.14 -4.12 0.00 0.00 -1.01 0.00 0.00 33.01 28.02 1jd2 s GLN 187 CO 0.82 -1.24 0.12 1.28 0.01 0.00 0.00 175.29 176.28