#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 1.41 0.04 8.00 0.01 -1.26 -1.91 113.70 119.98 1jd2 s SER 2 Ca 0.00 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 1jd2 s SER 2 Cb 0.00 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1jd2 s SER 2 CO 0.00 -0.21 0.13 0.27 0.41 0.00 0.00 173.24 173.84 1jd2 s ILE 3 N 2.01 0.12 0.09 1.44 -4.36 -0.43 -2.04 121.20 118.04 1jd2 s ILE 3 Ca 0.05 -0.99 -0.25 0.00 -0.26 0.00 0.00 60.65 59.19 1jd2 s ILE 3 Cb -0.12 -0.86 0.08 0.00 1.25 0.00 0.00 42.46 42.81 1jd2 s ILE 3 CO -0.04 -0.55 0.69 0.00 0.24 0.00 0.00 174.94 175.28 1jd2 s MET 4 N -2.48 1.12 -0.01 0.37 0.23 -0.95 -0.30 119.30 117.28 1jd2 s MET 4 Ca -0.06 -0.35 0.02 0.00 -1.03 0.00 0.00 55.69 54.27 1jd2 s MET 4 Cb -0.02 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 1jd2 s MET 4 CO -0.04 -0.48 -0.06 0.00 -2.03 0.00 0.00 175.02 172.42 1jd2 s ALA 5 N -3.31 0.55 -0.03 3.16 0.00 0.65 -1.54 121.76 121.24 1jd2 s ALA 5 Ca 0.01 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1jd2 s ALA 5 Cb -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1jd2 s ALA 5 CO -0.10 0.10 -0.07 0.08 0.00 0.00 0.00 175.76 175.78 1jd2 s VAL 6 N 0.06 0.66 -0.06 0.00 1.01 0.53 -1.49 120.40 121.11 1jd2 s VAL 6 Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 1jd2 s VAL 6 Cb -0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1jd2 s VAL 6 CO -0.00 0.23 0.37 0.42 0.00 0.00 0.00 175.10 176.12 1jd2 s THR 7 N 0.44 5.14 0.35 3.92 -4.23 -1.04 -0.26 115.64 119.95 1jd2 s THR 7 Ca -0.06 0.75 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 1jd2 s THR 7 Cb -0.10 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 1jd2 s THR 7 CO 0.00 0.51 0.34 0.72 -0.54 0.00 0.00 174.62 175.66 1jd2 s PHE 8 N -0.56 1.64 0.14 3.99 -0.00 -0.43 -4.66 117.98 118.10 1jd2 s PHE 8 Ca 0.22 -1.61 -0.32 0.00 -0.00 0.00 0.00 56.93 55.23 1jd2 s PHE 8 Cb -0.15 -0.57 -0.09 0.00 -0.00 0.00 0.00 43.02 42.21 1jd2 s PHE 8 CO 0.10 -0.96 1.55 -0.22 -0.00 0.00 0.00 175.22 175.69 1jd2 h LYS 9 N 2.09 -0.35 0.00 1.99 3.64 -1.75 -1.33 116.57 120.86 1jd2 h LYS 9 Ca -0.25 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1jd2 h LYS 9 Cb 1.23 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1jd2 h LYS 9 CO 0.36 -0.23 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.73 1jd2 h ASP 10 N -0.36 0.00 0.00 4.20 3.45 -1.97 -3.47 116.42 118.27 1jd2 h ASP 10 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1jd2 h ASP 10 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1jd2 h ASP 10 CO -0.62 0.13 0.00 0.61 -1.57 0.00 0.00 179.24 177.79 1jd2 n GLY 11 N -0.09 -1.00 3.46 2.75 0.00 -0.50 -4.49 105.19 105.31 1jd2 n GLY 11 Ca -0.00 0.42 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 0.01 -0.03 1.61 0.11 -1.03 -1.32 120.40 119.74 1jd2 s VAL 12 Ca 0.00 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1jd2 s VAL 12 Cb 0.00 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1jd2 s VAL 12 CO 0.00 -0.03 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.10 1jd2 s ILE 13 N -2.32 0.30 -0.01 7.04 1.01 0.64 -1.45 121.20 126.41 1jd2 s ILE 13 Ca -0.06 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1jd2 s ILE 13 Cb -0.01 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 1jd2 s ILE 13 CO -0.00 0.17 -0.03 -0.76 0.00 0.00 0.00 174.94 174.31 1jd2 s LEU 14 N 0.93 3.36 0.06 2.97 1.02 -0.96 -0.35 118.68 125.70 1jd2 s LEU 14 Ca -0.10 -0.05 -0.09 0.00 0.02 0.00 0.00 54.13 53.90 1jd2 s LEU 14 Cb -0.14 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.18 1jd2 s LEU 14 CO -0.01 0.29 0.19 -0.83 0.02 0.00 0.00 176.35 176.01 1jd2 s GLY 15 N -1.40 0.07 0.22 -3.19 0.00 -0.59 -0.99 107.32 101.43 1jd2 s GLY 15 Ca 0.18 -0.44 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1jd2 s GLY 15 CO 0.08 -0.62 0.86 0.00 0.00 0.00 0.00 173.10 173.43 1jd2 s ALA 16 N -3.12 -1.42 0.35 3.20 0.00 0.20 -2.23 121.76 118.74 1jd2 s ALA 16 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1jd2 s ALA 16 Cb 0.02 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1jd2 s ALA 16 CO -0.07 -1.04 0.00 -0.40 0.00 0.00 0.00 175.76 174.25 1jd2 n ASP 17 N -0.58 0.00 -2.71 0.00 5.75 -0.87 -0.84 116.55 117.32 1jd2 n ASP 17 Ca -0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.67 1jd2 n ASP 17 Cb 0.60 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.76 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 0.09 -4.11 -1.12 3.41 -0.87 -4.50 113.62 106.52 1jd2 n SER 18 Ca 0.00 -2.45 -0.28 0.00 -0.26 0.00 0.00 58.87 55.88 1jd2 n SER 18 Cb 0.00 0.10 -0.17 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.84 2.36 -0.08 4.33 3.52 -1.25 -2.53 118.95 123.47 1jd2 s ARG 19 Ca 0.23 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 1jd2 s ARG 19 Cb 0.42 -1.87 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 1jd2 s ARG 19 CO -0.04 0.07 -0.14 0.95 -0.81 0.00 0.00 175.30 175.33 1jd2 s THR 20 N 0.60 1.30 0.24 4.11 -4.23 -0.44 -4.63 115.64 112.58 1jd2 s THR 20 Ca -0.15 -0.57 0.10 0.00 -1.18 0.00 0.00 61.69 59.90 1jd2 s THR 20 Cb -0.16 -1.18 -0.05 0.00 1.34 0.00 0.00 72.50 72.45 1jd2 s THR 20 CO 0.05 0.39 -0.19 0.42 -0.54 0.00 0.00 174.62 174.75 1jd2 s THR 21 N 0.68 2.20 -0.50 3.99 -4.23 -1.26 -0.82 115.64 115.70 1jd2 s THR 21 Ca -0.14 -2.26 0.03 0.00 -1.18 0.00 0.00 61.69 58.15 1jd2 s THR 21 Cb -0.16 -2.16 0.15 0.00 1.34 0.00 0.00 72.50 71.67 1jd2 s THR 21 CO 0.04 -0.41 0.30 0.42 -0.54 0.00 0.00 174.62 174.43 1jd2 s THR 22 N -2.48 1.69 0.00 3.99 -4.23 -1.01 -4.89 115.64 108.72 1jd2 s THR 22 Ca 0.25 -2.99 0.00 0.00 -1.18 0.00 0.00 61.69 57.77 1jd2 s THR 22 Cb -0.04 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1jd2 s THR 22 CO 0.11 -0.95 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 1jd2 n GLY 23 N 3.10 1.27 0.68 3.99 0.00 -1.26 -3.22 105.19 109.75 1jd2 n GLY 23 Ca 0.13 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 6.27 2.22 -2.75 4.61 0.00 -1.26 -4.96 120.51 124.65 1jd2 n ALA 24 Ca 0.00 -1.20 -0.34 0.00 0.00 0.00 0.00 53.44 51.90 1jd2 n ALA 24 Cb 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.08 3.57 -0.48 0.00 5.04 -1.20 -5.05 117.35 118.15 1jd2 s TYR 25 Ca 0.25 0.58 -0.19 0.00 -2.44 0.00 0.00 57.07 55.27 1jd2 s TYR 25 Cb 0.14 -2.00 0.05 0.00 0.35 0.00 0.00 41.96 40.49 1jd2 s TYR 25 CO 0.16 0.60 0.60 0.42 -1.34 0.00 0.00 175.55 175.99 1jd2 s ILE 26 N -1.32 4.90 -0.05 3.14 1.01 -1.26 -2.40 121.20 125.22 1jd2 s ILE 26 Ca 0.28 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 1jd2 s ILE 26 Cb -0.13 -4.24 -0.22 0.00 0.01 0.00 0.00 42.46 37.88 1jd2 s ILE 26 CO 0.17 -0.71 1.14 0.00 0.00 0.00 0.00 174.94 175.53 1jd2 h ALA 27 N 8.93 0.01 -3.32 9.38 0.00 -1.32 -3.43 119.26 129.50 1jd2 h ALA 27 Ca -0.27 -0.32 -0.39 0.00 0.00 0.00 0.00 54.91 53.93 1jd2 h ALA 27 Cb 1.10 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.51 1jd2 h ALA 27 CO 0.93 -0.16 -0.75 1.21 0.00 0.00 0.00 179.25 180.48 1jd2 s ASN 28 N -5.87 1.17 0.00 0.00 2.47 -1.03 -5.01 114.94 106.67 1jd2 s ASN 28 Ca -0.17 0.01 0.24 0.00 0.42 0.00 0.00 52.86 53.37 1jd2 s ASN 28 Cb 0.01 -0.25 0.38 0.00 -1.45 0.00 0.00 41.25 39.93 1jd2 s ASN 28 CO 0.68 -0.21 1.32 -2.11 -3.72 0.00 0.00 177.10 173.07 1jd2 n ARG 29 N 5.07 0.38 -0.18 0.43 1.85 -1.25 -1.32 116.66 121.64 1jd2 n ARG 29 Ca -0.08 -0.26 0.06 0.00 -1.00 0.00 0.00 57.85 56.57 1jd2 n ARG 29 Cb 0.50 -1.49 0.14 0.00 -1.05 0.00 0.00 32.46 30.56 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 -1.08 1.58 -1.47 8.89 0.24 -1.05 -4.41 118.33 121.04 1jd2 n VAL 30 Ca 0.08 -1.58 -0.41 0.00 -2.04 0.00 0.00 64.34 60.38 1jd2 n VAL 30 Cb 0.35 0.10 0.01 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.54 1.84 -3.68 3.34 -1.04 -1.05 -4.95 114.28 108.21 1jd2 n THR 31 Ca 0.13 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.25 1jd2 n THR 31 Cb 0.57 -0.59 -0.11 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 -0.95 5.46 -0.02 8.00 3.68 -1.26 -4.44 116.67 127.15 1jd2 s ASP 32 Ca 0.64 -1.55 0.18 0.00 2.13 0.00 0.00 52.55 53.94 1jd2 s ASP 32 Cb -0.59 -1.92 0.53 0.00 -1.45 0.00 0.00 42.92 39.49 1jd2 s ASP 32 CO 0.58 -0.49 1.44 0.29 0.13 0.00 0.00 175.17 177.11 1jd2 n LYS 33 N 4.81 2.50 -3.70 4.34 5.02 -1.26 -4.69 118.16 125.18 1jd2 n LYS 33 Ca -0.09 -2.15 -0.38 0.00 -2.02 0.00 0.00 58.31 53.67 1jd2 n LYS 33 Cb 0.43 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.10 5.04 -0.05 -0.35 1.43 -1.26 -1.02 118.68 121.37 1jd2 s LEU 34 Ca 0.40 -1.66 0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1jd2 s LEU 34 Cb 0.21 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1jd2 s LEU 34 CO 0.26 -0.51 -0.04 -0.89 0.23 0.00 0.00 176.35 175.39 1jd2 s THR 35 N 1.31 3.89 -0.02 5.49 2.01 -0.28 -4.94 115.64 123.09 1jd2 s THR 35 Ca 0.04 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 1jd2 s THR 35 Cb -0.23 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1jd2 s THR 35 CO -0.01 0.55 0.62 -0.60 -0.69 0.00 0.00 174.62 174.50 1jd2 s ARG 36 N -1.00 4.36 0.00 4.92 3.52 -1.26 -0.91 118.95 128.58 1jd2 s ARG 36 Ca 0.14 0.77 0.02 0.00 -0.13 0.00 0.00 55.73 56.53 1jd2 s ARG 36 Cb -0.11 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 1jd2 s ARG 36 CO 0.03 0.27 0.29 1.33 -0.81 0.00 0.00 175.30 176.41 1jd2 n VAL 37 N 3.06 0.00 -3.62 7.11 0.24 -0.84 -4.90 118.33 119.38 1jd2 n VAL 37 Ca -0.05 -0.48 -0.03 0.00 -2.04 0.00 0.00 64.34 61.74 1jd2 n VAL 37 Cb 0.51 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.69 -0.15 0.28 6.34 5.65 -0.94 -4.59 115.29 121.20 1jd2 s HIS 38 Ca 0.01 0.01 0.01 0.00 0.25 0.00 0.00 55.06 55.34 1jd2 s HIS 38 Cb 0.01 0.56 0.66 0.00 -1.18 0.00 0.00 32.58 32.63 1jd2 s HIS 38 CO 0.04 -0.42 1.67 -0.44 -0.65 0.00 0.00 174.74 174.94 1jd2 h ASP 39 N 2.00 0.11 -0.81 9.88 3.32 -2.01 -3.01 116.42 125.89 1jd2 h ASP 39 Ca -0.21 0.17 -0.41 0.00 0.02 0.00 0.00 57.03 56.60 1jd2 h ASP 39 Cb 1.21 0.21 -0.41 0.00 0.22 0.00 0.00 39.33 40.55 1jd2 h ASP 39 CO 0.27 -0.08 -0.99 0.29 -1.72 0.00 0.00 179.24 177.01 1jd2 n LYS 40 N -5.15 2.39 -3.58 3.56 5.02 -1.26 -4.97 118.16 114.16 1jd2 n LYS 40 Ca 0.20 -3.80 -0.11 0.00 -2.02 0.00 0.00 58.31 52.58 1jd2 n LYS 40 Cb 0.62 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 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 -4.16 -0.53 0.43 -0.18 1.01 -1.14 -1.32 121.20 115.32 1jd2 s ILE 41 Ca 0.37 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.19 1jd2 s ILE 41 Cb 0.39 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1jd2 s ILE 41 CO -0.03 0.03 0.08 0.26 0.00 0.00 0.00 174.94 175.28 1jd2 s TRP 42 N 2.51 1.86 0.06 3.97 0.52 0.67 -1.98 118.94 126.54 1jd2 s TRP 42 Ca 0.03 -1.13 -0.10 0.00 0.02 0.00 0.00 56.10 54.92 1jd2 s TRP 42 Cb -0.13 -1.34 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 1jd2 s TRP 42 CO -0.12 -0.07 0.21 0.00 0.02 0.00 0.00 176.95 176.99 1jd2 s ARG 45 N -0.28 3.79 -0.03 0.00 0.52 -0.19 -2.74 118.95 120.04 1jd2 s ARG 45 Ca 0.04 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1jd2 s ARG 45 Cb -0.13 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.15 1jd2 s ARG 45 CO 0.02 0.07 -0.01 -1.54 0.02 0.00 0.00 175.30 173.87 1jd2 s SER 46 N 0.89 0.43 0.00 0.23 1.04 -1.04 -4.93 113.70 110.32 1jd2 s SER 46 Ca 0.03 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1jd2 s SER 46 Cb -0.14 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1jd2 s SER 46 CO 0.02 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1jd2 n GLY 47 N 3.98 0.41 3.75 7.32 0.00 -1.26 0.06 105.19 119.45 1jd2 n GLY 47 Ca -0.25 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 6.68 0.04 1.61 0.15 -0.11 -4.91 113.70 113.16 1jd2 s SER 48 Ca 0.00 2.65 -0.30 0.00 0.70 0.00 0.00 55.95 59.01 1jd2 s SER 48 Cb 0.00 -2.63 -0.16 0.00 -1.71 0.00 0.00 66.02 61.52 1jd2 s SER 48 CO 0.00 -0.67 1.40 0.00 1.20 0.00 0.00 173.24 175.17 1jd2 h ALA 49 N 4.87 -1.25 -0.57 5.45 0.00 -1.95 -1.95 119.26 123.86 1jd2 h ALA 49 Ca -0.46 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.32 1jd2 h ALA 49 Cb 1.22 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 1jd2 h ALA 49 CO 0.76 -1.17 -0.27 0.00 0.00 0.00 0.00 179.25 178.57 1jd2 h ALA 50 N -1.47 0.09 -0.86 0.00 0.00 -1.97 0.26 119.26 115.30 1jd2 h ALA 50 Ca -0.11 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1jd2 h ALA 50 Cb 0.82 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1jd2 h ALA 50 CO 0.18 -0.60 0.50 -0.44 0.00 0.00 0.00 179.25 178.89 1jd2 h ASP 51 N -0.13 0.72 0.28 0.00 5.19 -1.87 -1.35 116.42 119.27 1jd2 h ASP 51 Ca 0.25 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1jd2 h ASP 51 Cb 0.52 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1jd2 h ASP 51 CO -0.65 0.41 -0.14 0.71 -3.12 0.00 0.00 179.24 176.45 1jd2 h THR 52 N 0.83 0.63 -0.51 0.35 1.35 0.22 -1.78 112.91 114.00 1jd2 h THR 52 Ca 0.42 -0.79 0.09 0.00 -0.55 0.00 0.00 66.41 65.58 1jd2 h THR 52 Cb 0.39 0.98 -0.10 0.00 -1.73 0.00 0.00 68.15 67.69 1jd2 h THR 52 CO -0.25 0.14 -0.34 1.56 -0.25 0.00 0.00 175.52 176.37 1jd2 h GLN 53 N -0.88 -0.20 -0.37 4.72 4.20 -0.66 0.15 115.11 122.07 1jd2 h GLN 53 Ca -0.04 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1jd2 h GLN 53 Cb 0.51 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 1jd2 h GLN 53 CO 0.06 -0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 1jd2 h ALA 54 N 0.86 0.34 -0.80 3.87 0.00 -1.31 0.14 119.26 122.36 1jd2 h ALA 54 Ca 0.20 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1jd2 h ALA 54 Cb 0.55 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1jd2 h ALA 54 CO -0.62 -0.39 0.53 0.82 0.00 0.00 0.00 179.25 179.59 1jd2 h ILE 55 N 0.11 1.20 0.34 0.00 2.04 0.07 -1.96 117.51 119.31 1jd2 h ILE 55 Ca 0.18 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1jd2 h ILE 55 Cb 0.25 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1jd2 h ILE 55 CO -0.30 0.20 -0.16 0.00 0.00 0.00 0.00 178.15 177.88 1jd2 h ALA 56 N 1.29 -0.46 -0.64 1.87 0.00 0.16 -2.45 119.26 119.04 1jd2 h ALA 56 Ca 0.29 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1jd2 h ALA 56 Cb -0.12 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1jd2 h ALA 56 CO -0.06 -0.70 -0.00 -0.44 0.00 0.00 0.00 179.25 178.05 1jd2 h ASP 57 N -0.58 -0.29 0.08 0.00 3.45 -0.60 0.75 116.42 119.23 1jd2 h ASP 57 Ca -0.05 0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 1jd2 h ASP 57 Cb 0.43 0.29 -0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1jd2 h ASP 57 CO 0.08 -0.13 -0.02 0.40 -1.57 0.00 0.00 179.24 178.00 1jd2 h ILE 58 N 0.11 0.36 0.04 0.35 2.04 -1.17 -1.08 117.51 118.17 1jd2 h ILE 58 Ca 0.34 -0.09 -0.28 0.00 1.00 0.00 0.00 64.86 65.83 1jd2 h ILE 58 Cb 0.55 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1jd2 h ILE 58 CO -0.56 0.02 -1.46 0.58 0.00 0.00 0.00 178.15 176.73 1jd2 h VAL 59 N 0.00 1.19 -0.57 1.67 2.07 0.94 -2.74 116.25 118.81 1jd2 h VAL 59 Ca -0.00 -2.92 -0.00 0.00 0.82 0.00 0.00 66.70 64.60 1jd2 h VAL 59 Cb 0.06 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1jd2 h VAL 59 CO 0.00 0.75 0.35 -0.61 0.02 0.00 0.00 177.57 178.09 1jd2 h GLN 60 N 0.03 0.76 0.26 1.57 4.15 0.09 -0.42 115.11 121.54 1jd2 h GLN 60 Ca -0.20 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 1jd2 h GLN 60 Cb 1.95 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 29.47 1jd2 h GLN 60 CO 0.12 0.53 -0.17 -0.92 -1.93 0.00 0.00 178.83 176.46 1jd2 h TYR 61 N 0.76 -0.47 -1.32 3.99 3.20 -1.47 0.16 116.97 121.83 1jd2 h TYR 61 Ca 0.20 -0.00 0.38 0.00 3.14 0.00 0.00 58.73 62.45 1jd2 h TYR 61 Cb -0.04 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1jd2 h TYR 61 CO -0.03 -0.25 1.00 0.45 -1.64 0.00 0.00 178.16 177.69 1jd2 h HIS 62 N -0.41 0.00 0.14 -3.82 3.86 -1.30 0.37 115.15 114.00 1jd2 h HIS 62 Ca -0.03 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.87 1jd2 h HIS 62 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1jd2 h HIS 62 CO -0.01 0.00 -1.58 -0.07 0.86 0.00 0.00 177.93 177.14 1jd2 h LEU 63 N 0.00 0.47 -1.02 2.43 3.38 -0.72 -2.65 115.31 117.20 1jd2 h LEU 63 Ca 0.63 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1jd2 h LEU 63 Cb 2.61 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 43.13 1jd2 h LEU 63 CO -0.01 1.70 0.64 -0.08 0.09 0.00 0.00 178.44 180.78 1jd2 h GLU 64 N -0.13 1.05 -0.06 1.13 4.81 0.27 0.33 114.58 121.97 1jd2 h GLU 64 Ca -0.33 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 58.65 1jd2 h GLU 64 Cb 1.91 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 31.04 1jd2 h GLU 64 CO 0.11 0.69 -0.76 1.25 -0.73 0.00 0.00 179.01 179.57 1jd2 h LEU 65 N 1.08 0.47 0.52 1.64 5.85 -1.33 -2.77 115.31 120.78 1jd2 h LEU 65 Ca 0.47 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1jd2 h LEU 65 Cb 0.34 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1jd2 h LEU 65 CO -0.22 1.07 -0.25 0.22 -0.34 0.00 0.00 178.44 178.92 1jd2 h TYR 66 N 0.26 -0.65 0.00 1.25 3.20 -0.36 -2.87 116.97 117.80 1jd2 h TYR 66 Ca -0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1jd2 h TYR 66 Cb 1.34 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.83 1jd2 h TYR 66 CO 0.04 -0.41 0.00 2.41 -1.64 0.00 0.00 178.16 178.57 1jd2 n THR 67 N -5.39 0.00 -0.24 1.81 -1.04 0.86 0.41 114.28 110.68 1jd2 n THR 67 Ca -0.12 1.33 0.06 0.00 -2.04 0.00 0.00 64.05 63.28 1jd2 n THR 67 Cb 0.29 -1.91 0.13 0.00 -1.82 0.00 0.00 70.33 67.02 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 -2.19 -0.20 0.08 8.00 7.64 -1.05 0.67 113.62 126.57 1jd2 n SER 68 Ca 0.00 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.93 1jd2 n SER 68 Cb 0.00 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 62.69 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 0.18 0.00 1.43 4.20 -1.09 -3.40 115.11 116.42 1jd2 h GLN 69 Ca 0.36 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jd2 h GLN 69 Cb 0.60 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1jd2 h GLN 69 CO -0.69 1.12 -0.29 0.66 -0.67 0.00 0.00 178.83 178.96 1jd2 n TYR 70 N -3.45 0.00 -2.80 2.96 4.02 0.17 -5.10 117.16 112.95 1jd2 n TYR 70 Ca -0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1jd2 n TYR 70 Cb 1.00 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 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 -0.25 -1.86 3.71 2.72 0.00 0.21 -4.88 105.19 104.84 1jd2 n GLY 72 Ca 0.03 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1jd2 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jd2 s THR 73 N 0.00 2.65 0.30 2.61 2.01 -1.26 -3.54 115.64 118.40 1jd2 s THR 73 Ca 0.00 0.33 -0.22 0.00 0.31 0.00 0.00 61.69 62.11 1jd2 s THR 73 Cb 0.00 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 1jd2 s THR 73 CO 0.00 0.01 0.84 -2.16 -0.69 0.00 0.00 174.62 172.63 1jd2 s PRO 74 N 1.85 4.36 0.74 4.92 0.04 -1.26 -5.03 135.00 140.63 1jd2 s PRO 74 Ca 0.74 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1jd2 s PRO 74 Cb -0.44 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.41 1jd2 s PRO 74 CO 0.32 0.28 1.10 -1.54 0.04 0.00 0.00 177.00 177.20 1jd2 s SER 75 N -1.75 5.07 0.04 6.66 1.04 -1.26 -4.94 113.70 118.55 1jd2 s SER 75 Ca 0.49 1.18 -0.19 0.00 0.48 0.00 0.00 55.95 57.91 1jd2 s SER 75 Cb -0.16 -1.94 -0.17 0.00 0.10 0.00 0.00 66.02 63.85 1jd2 s SER 75 CO 0.21 -1.59 1.24 0.74 0.98 0.00 0.00 173.24 174.82 1jd2 h THR 76 N -0.83 1.38 -1.15 2.02 2.02 -1.97 -2.67 112.91 111.72 1jd2 h THR 76 Ca -0.46 -1.72 0.36 0.00 0.77 0.00 0.00 66.41 65.36 1jd2 h THR 76 Cb 1.26 2.16 -0.13 0.00 -1.74 0.00 0.00 68.15 69.70 1jd2 h THR 76 CO 0.62 0.51 0.72 -0.08 0.37 0.00 0.00 175.52 177.66 1jd2 h GLU 77 N 0.05 0.23 0.09 6.66 4.81 -1.99 0.71 114.58 125.14 1jd2 h GLU 77 Ca -0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1jd2 h GLU 77 Cb 1.03 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1jd2 h GLU 77 CO 0.08 0.15 -0.04 1.15 -0.73 0.00 0.00 179.01 179.62 1jd2 h THR 78 N 0.23 1.15 -1.02 0.32 2.02 -1.90 -0.83 112.91 112.88 1jd2 h THR 78 Ca 0.73 -1.12 0.26 0.00 0.77 0.00 0.00 66.41 67.06 1jd2 h THR 78 Cb 2.03 1.84 -0.12 0.00 -1.74 0.00 0.00 68.15 70.16 1jd2 h THR 78 CO -0.44 0.26 0.62 0.00 0.37 0.00 0.00 175.52 176.33 1jd2 h ALA 79 N 0.14 1.95 0.11 6.16 0.00 0.64 0.43 119.26 128.69 1jd2 h ALA 79 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jd2 h ALA 79 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jd2 h ALA 79 CO 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 1jd2 h ALA 80 N 1.71 -0.14 -0.91 0.00 0.00 -0.78 -2.88 119.26 116.25 1jd2 h ALA 80 Ca 0.65 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.58 1jd2 h ALA 80 Cb 1.38 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 1jd2 h ALA 80 CO -0.44 -0.40 0.46 1.03 0.00 0.00 0.00 179.25 179.91 1jd2 h SER 81 N -0.51 0.48 0.26 0.00 0.87 0.13 0.28 113.55 115.06 1jd2 h SER 81 Ca -0.01 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1jd2 h SER 81 Cb 0.42 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1jd2 h SER 81 CO 0.02 0.10 -0.14 0.58 -0.53 0.00 0.00 176.83 176.86 1jd2 h VAL 82 N 0.52 0.70 -0.10 2.23 2.07 -1.00 -0.35 116.25 120.33 1jd2 h VAL 82 Ca 0.55 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.12 1jd2 h VAL 82 Cb 0.98 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1jd2 h VAL 82 CO -0.47 0.00 -0.20 -0.26 0.02 0.00 0.00 177.57 176.66 1jd2 h PHE 83 N -0.38 -0.53 -0.37 1.57 0.04 -0.45 -1.33 116.94 115.49 1jd2 h PHE 83 Ca -0.03 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.84 1jd2 h PHE 83 Cb 0.30 0.25 -0.09 0.00 2.20 0.00 0.00 35.95 38.62 1jd2 h PHE 83 CO -0.07 -0.28 -0.26 -0.22 -0.60 0.00 0.00 178.31 176.87 1jd2 h LYS 84 N -0.27 -0.20 -0.39 1.51 3.64 -0.36 0.19 116.57 120.68 1jd2 h LYS 84 Ca 0.09 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1jd2 h LYS 84 Cb 0.40 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.18 1jd2 h LYS 84 CO -0.26 -0.14 -0.26 1.49 -2.27 0.00 0.00 179.45 178.02 1jd2 h GLU 85 N -0.21 -0.18 -0.10 1.90 4.57 -0.29 0.65 114.58 120.92 1jd2 h GLU 85 Ca 0.18 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1jd2 h GLU 85 Cb 0.49 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1jd2 h GLU 85 CO -0.49 -0.12 0.05 -0.07 -1.18 0.00 0.00 179.01 177.20 1jd2 h LEU 86 N -0.19 0.12 -0.33 1.64 3.38 -0.32 -0.56 115.31 119.06 1jd2 h LEU 86 Ca 0.19 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1jd2 h LEU 86 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1jd2 h LEU 86 CO -0.50 0.18 -0.03 0.00 0.09 0.00 0.00 178.44 178.17 1jd2 h TYR 88 N 0.40 0.45 -0.10 0.00 5.03 0.26 -2.81 116.97 120.21 1jd2 h TYR 88 Ca 0.09 -0.14 -0.07 0.00 2.58 0.00 0.00 58.73 61.19 1jd2 h TYR 88 Cb 0.50 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1jd2 h TYR 88 CO 0.04 0.77 -0.26 1.49 -1.32 0.00 0.00 178.16 178.89 1jd2 h GLU 89 N 0.00 0.17 -0.77 1.82 4.57 -1.14 -3.13 114.58 116.10 1jd2 h GLU 89 Ca 0.02 -0.05 -0.54 0.00 -1.18 0.00 0.00 59.36 57.61 1jd2 h GLU 89 Cb 0.71 -0.02 -0.34 0.00 -0.16 0.00 0.00 28.75 28.94 1jd2 h GLU 89 CO 0.04 0.42 -0.15 0.09 -1.18 0.00 0.00 179.01 178.24 1jd2 n ASN 90 N -4.18 5.46 -0.35 1.04 3.02 -0.80 -4.84 115.26 114.60 1jd2 n ASN 90 Ca -0.01 -3.77 0.07 0.00 -0.03 0.00 0.00 54.58 50.83 1jd2 n ASN 90 Cb 0.35 -0.60 0.23 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.94 0.92 0.00 3.52 2.10 -1.44 -2.30 116.57 121.30 1jd2 h LYS 91 Ca 0.43 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1jd2 h LYS 91 Cb 1.33 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1jd2 h LYS 91 CO 0.98 0.61 0.00 -0.44 -2.00 0.00 0.00 179.45 178.60 1jd2 h ASP 92 N 0.94 0.00 -0.16 7.07 3.45 -1.89 -2.87 116.42 122.97 1jd2 h ASP 92 Ca 0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.94 1jd2 h ASP 92 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1jd2 h ASP 92 CO -0.27 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 177.99 1jd2 n ASN 94 N -3.02 2.39 -4.22 6.45 3.02 -0.87 -5.03 115.26 113.98 1jd2 n ASN 94 Ca -0.01 -1.95 -0.23 0.00 -0.03 0.00 0.00 54.58 52.35 1jd2 n ASN 94 Cb 0.16 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.96 2.18 -0.38 3.41 1.43 -1.08 -5.06 118.68 118.22 1jd2 s LEU 95 Ca 0.11 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1jd2 s LEU 95 Cb 0.06 -0.84 0.15 0.00 0.03 0.00 0.00 46.19 45.59 1jd2 s LEU 95 CO 0.08 0.11 0.26 -0.89 0.23 0.00 0.00 176.35 176.13 1jd2 s THR 96 N -0.85 0.31 -0.15 5.49 2.01 -1.26 -4.92 115.64 116.26 1jd2 s THR 96 Ca 0.05 -2.08 -0.09 0.00 0.31 0.00 0.00 61.69 59.88 1jd2 s THR 96 Cb -0.09 -1.23 0.05 0.00 0.01 0.00 0.00 72.50 71.24 1jd2 s THR 96 CO 0.02 -1.06 0.36 0.00 -0.69 0.00 0.00 174.62 173.25 1jd2 s ALA 97 N 0.69 -0.90 -0.14 7.40 0.00 -1.26 -0.93 121.76 126.60 1jd2 s ALA 97 Ca 0.23 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1jd2 s ALA 97 Cb -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1jd2 s ALA 97 CO -0.06 -0.23 -0.20 0.20 0.00 0.00 0.00 175.76 175.48 1jd2 s GLY 98 N 1.08 1.40 0.04 0.00 0.00 0.11 -4.19 107.32 105.76 1jd2 s GLY 98 Ca -0.07 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.65 1jd2 s GLY 98 CO -0.09 -0.03 -0.19 -0.42 0.00 0.00 0.00 173.10 172.37 1jd2 s ILE 99 N 0.78 1.53 -0.14 0.90 1.01 0.78 -2.50 121.20 123.55 1jd2 s ILE 99 Ca -0.07 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.48 1jd2 s ILE 99 Cb -0.16 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1jd2 s ILE 99 CO -0.00 0.18 -0.20 -0.63 0.00 0.00 0.00 174.94 174.29 1jd2 s ILE 100 N -0.78 2.28 -0.10 2.92 1.01 -1.11 0.34 121.20 125.77 1jd2 s ILE 100 Ca 0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1jd2 s ILE 100 Cb -0.08 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1jd2 s ILE 100 CO 0.01 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 1jd2 s VAL 101 N 0.75 3.92 0.01 2.92 1.01 0.12 -0.63 120.40 128.49 1jd2 s VAL 101 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1jd2 s VAL 101 Cb -0.16 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1jd2 s VAL 101 CO 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.64 1jd2 s ALA 102 N -0.39 0.14 0.39 5.51 0.00 -0.25 -1.58 121.76 125.57 1jd2 s ALA 102 Ca 0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1jd2 s ALA 102 Cb -0.12 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1jd2 s ALA 102 CO 0.02 -0.03 0.72 0.20 0.00 0.00 0.00 175.76 176.67 1jd2 s GLY 103 N -0.53 0.72 0.11 0.00 0.00 -1.16 -0.24 107.32 106.23 1jd2 s GLY 103 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1jd2 s GLY 103 CO -0.00 -0.51 -0.00 -0.47 0.00 0.00 0.00 173.10 172.11 1jd2 s TYR 104 N -2.36 0.85 -0.03 1.90 6.14 -0.43 -3.33 117.35 120.08 1jd2 s TYR 104 Ca 0.20 -1.08 0.04 0.00 0.64 0.00 0.00 57.07 56.87 1jd2 s TYR 104 Cb -0.04 -0.51 -0.06 0.00 0.42 0.00 0.00 41.96 41.77 1jd2 s TYR 104 CO 0.14 -0.34 0.03 -3.47 0.64 0.00 0.00 175.55 172.56 1jd2 n ASP 105 N -0.06 3.95 0.00 4.32 2.03 -1.26 -4.89 116.55 120.64 1jd2 n ASP 105 Ca -0.09 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.02 1jd2 n ASP 105 Cb 0.62 0.73 -0.14 0.00 -0.72 0.00 0.00 41.12 41.61 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 -2.06 0.74 -0.06 -0.67 0.00 -1.26 -4.46 118.16 110.40 1jd2 n LYS 105 Ca -0.06 0.27 0.12 0.00 0.00 0.00 0.00 58.31 58.64 1jd2 n LYS 105 Cb 0.53 -1.73 0.14 0.00 0.00 0.00 0.00 35.03 33.97 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 -3.41 3.15 0.00 3.14 3.02 -1.26 -5.06 115.26 114.84 1jd2 n ASN 106 Ca -0.29 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 1jd2 n ASN 106 Cb 1.05 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 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 1.40 0.00 -4.24 3.52 4.81 -1.26 -4.63 118.16 117.76 1jd2 n LYS 107 Ca 0.16 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.26 1jd2 n LYS 107 Cb 0.60 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.57 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 1.92 -0.05 3.14 0.00 -1.26 -4.41 107.32 106.66 1jd2 s GLY 108 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 1jd2 s GLY 108 CO 0.00 -0.74 0.14 -0.54 0.00 0.00 0.00 173.10 171.96 1jd2 s GLU 109 N -1.46 0.18 -0.07 2.90 2.02 -1.21 -4.96 118.70 116.10 1jd2 s GLU 109 Ca 0.19 0.18 0.03 0.00 0.02 0.00 0.00 54.97 55.39 1jd2 s GLU 109 Cb -0.12 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1jd2 s GLU 109 CO 0.09 -0.02 -0.16 0.08 0.02 0.00 0.00 175.26 175.27 1jd2 s VAL 110 N 0.02 1.42 0.01 2.63 1.01 -1.26 -2.98 120.40 121.25 1jd2 s VAL 110 Ca -0.01 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1jd2 s VAL 110 Cb -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1jd2 s VAL 110 CO 0.00 0.42 -0.18 -0.31 0.00 0.00 0.00 175.10 175.03 1jd2 s TYR 111 N 0.48 1.61 -0.05 5.22 1.51 -0.61 -1.02 117.35 124.48 1jd2 s TYR 111 Ca -0.14 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1jd2 s TYR 111 Cb -0.16 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1jd2 s TYR 111 CO 0.05 0.01 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.31 1jd2 s THR 112 N -0.56 0.99 -0.31 -0.71 -1.32 0.16 0.10 115.64 114.00 1jd2 s THR 112 Ca 0.06 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 1jd2 s THR 112 Cb -0.07 -0.91 0.08 0.00 -1.51 0.00 0.00 72.50 70.09 1jd2 s THR 112 CO 0.00 0.32 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.08 1jd2 s ILE 113 N 0.58 2.32 0.50 5.08 1.09 0.15 -0.52 121.20 130.41 1jd2 s ILE 113 Ca -0.12 -1.96 -0.09 0.00 -1.10 0.00 0.00 60.65 57.38 1jd2 s ILE 113 Cb -0.14 -2.54 -0.05 0.00 -1.06 0.00 0.00 42.46 38.67 1jd2 s ILE 113 CO 0.02 -0.32 0.87 -2.16 -0.10 0.00 0.00 174.94 173.25 1jd2 s PRO 114 N 1.02 3.66 0.11 2.79 0.04 -1.23 -0.16 135.00 141.23 1jd2 s PRO 114 Ca 0.01 0.50 0.06 0.00 0.04 0.00 0.00 61.00 61.60 1jd2 s PRO 114 Cb -0.20 -2.28 0.38 0.00 0.04 0.00 0.00 34.50 32.45 1jd2 s PRO 114 CO -0.06 -0.27 0.46 1.28 0.04 0.00 0.00 177.00 178.45 1jd2 n LEU 115 N -2.07 0.10 -0.07 -3.56 4.32 -1.26 -0.16 117.00 114.29 1jd2 n LEU 115 Ca 0.03 0.48 -0.00 0.00 -0.02 0.00 0.00 56.01 56.50 1jd2 n LEU 115 Cb 0.54 -0.23 0.28 0.00 -1.62 0.00 0.00 43.42 42.39 1jd2 n LEU 115 CO 0.52 -0.54 1.04 1.23 -1.22 0.00 0.00 177.39 178.42 1jd2 h GLY 116 N 0.00 0.74 0.00 -0.72 0.00 -1.92 -3.46 103.07 97.71 1jd2 h GLY 116 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1jd2 h GLY 116 CO -0.23 0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1jd2 n GLY 117 N -1.07 1.49 3.91 4.60 0.00 0.78 -4.65 105.19 110.25 1jd2 n GLY 117 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 6.40 -0.06 1.61 1.04 -1.25 -4.49 113.70 114.95 1jd2 s SER 118 Ca 0.00 0.71 0.06 0.00 0.48 0.00 0.00 55.95 57.20 1jd2 s SER 118 Cb 0.00 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1jd2 s SER 118 CO 0.00 -0.28 -0.24 -0.69 0.98 0.00 0.00 173.24 173.02 1jd2 s VAL 119 N -2.23 1.95 -0.04 5.02 1.01 -1.26 -3.53 120.40 121.32 1jd2 s VAL 119 Ca 0.44 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1jd2 s VAL 119 Cb -0.10 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1jd2 s VAL 119 CO 0.33 0.54 -0.07 -1.00 0.00 0.00 0.00 175.10 174.90 1jd2 s HIS 120 N -0.07 0.88 -0.11 5.22 3.76 0.32 -4.94 115.29 120.36 1jd2 s HIS 120 Ca -0.06 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.56 1jd2 s HIS 120 Cb -0.14 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1jd2 s HIS 120 CO 0.04 -0.16 0.06 0.21 -0.85 0.00 0.00 174.74 174.04 1jd2 s LYS 121 N 0.56 3.23 0.09 1.40 2.20 -1.26 0.41 119.74 126.37 1jd2 s LYS 121 Ca -0.08 -0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 54.98 1jd2 s LYS 121 Cb -0.12 -2.98 0.08 0.00 -1.51 0.00 0.00 37.83 33.30 1jd2 s LYS 121 CO 0.01 0.71 0.79 -0.51 -0.36 0.00 0.00 175.35 175.99 1jd2 s LEU 122 N -0.86 -0.40 0.38 5.43 1.43 -0.19 -4.99 118.68 119.48 1jd2 s LEU 122 Ca 0.13 -0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1jd2 s LEU 122 Cb -0.12 2.29 0.88 0.00 0.03 0.00 0.00 46.19 49.27 1jd2 s LEU 122 CO 0.03 -0.83 1.91 -0.65 0.23 0.00 0.00 176.35 177.04 1jd2 h PRO 123 N 2.00 0.60 -3.04 1.29 0.11 -1.97 -3.35 132.00 127.64 1jd2 h PRO 123 Ca -0.26 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.85 1jd2 h PRO 123 Cb 1.26 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1jd2 h PRO 123 CO 0.32 0.39 0.20 1.52 -0.21 0.00 0.00 178.00 180.22 1jd2 s TYR 124 N -5.58 -0.27 0.01 0.65 -0.85 -1.26 -2.51 117.35 107.52 1jd2 s TYR 124 Ca -0.09 -0.10 -0.23 0.00 -0.52 0.00 0.00 57.07 56.13 1jd2 s TYR 124 Cb 0.21 0.63 0.05 0.00 0.38 0.00 0.00 41.96 43.23 1jd2 s TYR 124 CO 0.78 -1.09 0.51 0.00 -1.52 0.00 0.00 175.55 174.23 1jd2 s ALA 125 N -3.87 -1.32 0.07 9.51 0.00 -0.56 -4.98 121.76 120.61 1jd2 s ALA 125 Ca 0.08 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1jd2 s ALA 125 Cb -0.04 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1jd2 s ALA 125 CO 0.00 -0.41 -0.05 0.96 0.00 0.00 0.00 175.76 176.25 1jd2 s ILE 126 N -1.87 0.47 0.20 0.00 -4.36 -1.26 -0.25 121.20 114.12 1jd2 s ILE 126 Ca -0.09 -1.62 -0.22 0.00 -0.26 0.00 0.00 60.65 58.47 1jd2 s ILE 126 Cb -0.01 -1.26 0.07 0.00 1.25 0.00 0.00 42.46 42.50 1jd2 s ILE 126 CO 0.03 -0.77 0.98 0.00 0.24 0.00 0.00 174.94 175.42 1jd2 s ALA 127 N -3.01 -1.52 0.00 2.27 0.00 0.59 -4.95 121.76 115.15 1jd2 s ALA 127 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1jd2 s ALA 127 Cb 0.01 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1jd2 s ALA 127 CO -0.05 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1jd2 n GLY 128 N -0.60 2.26 0.31 0.00 0.00 -1.26 -1.31 105.19 104.59 1jd2 n GLY 128 Ca -0.05 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 0.34 0.15 1.61 4.64 -1.79 0.94 113.55 119.44 1jd2 h SER 129 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jd2 h SER 129 Cb 0.00 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1jd2 h SER 129 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1jd2 n GLY 130 N -1.34 -0.63 0.18 -0.77 0.00 -1.03 -2.53 105.19 99.08 1jd2 n GLY 130 Ca 0.20 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 -1.00 1.61 4.64 -1.00 -3.17 113.55 114.63 1jd2 h SER 131 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1jd2 h SER 131 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.09 1jd2 h SER 131 CO 0.00 0.00 0.63 0.71 -0.87 0.00 0.00 176.83 177.30 1jd2 h THR 132 N 0.00 0.99 0.00 2.95 1.35 -1.67 -2.36 112.91 114.17 1jd2 h THR 132 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1jd2 h THR 132 Cb 0.69 -0.16 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1jd2 h THR 132 CO 0.00 0.19 0.00 0.49 -0.25 0.00 0.00 175.52 175.95 1jd2 n PHE 133 N -4.56 0.00 -0.76 4.73 3.72 -1.20 -3.58 117.46 115.81 1jd2 n PHE 133 Ca 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 1jd2 n PHE 133 Cb 0.29 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.99 0.58 0.26 4.37 -5.35 -0.89 -4.68 119.36 112.67 1jd2 n ILE 134 Ca 0.16 -0.63 0.13 0.00 -0.27 0.00 0.00 62.75 62.14 1jd2 n ILE 134 Cb 0.07 0.61 0.81 0.00 -1.74 0.00 0.00 39.64 39.40 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 -1.62 -1.64 116.97 118.04 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 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 1jd2 h TYR 135 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 1jd2 n GLY 136 N -1.41 -1.34 0.25 3.88 0.00 -1.26 -2.47 105.19 102.84 1jd2 n GLY 136 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.06 -0.45 1.61 3.20 -1.83 -1.78 116.97 116.66 1jd2 h TYR 137 Ca 0.00 0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1jd2 h TYR 137 Cb 0.00 0.52 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 1jd2 h TYR 137 CO 0.09 -0.24 -0.45 0.00 -1.64 0.00 0.00 178.16 175.92 1jd2 h ASP 139 N -0.31 0.00 0.21 0.00 1.82 -1.09 -1.22 116.42 115.84 1jd2 h ASP 139 Ca 0.14 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.43 1jd2 h ASP 139 Cb 0.58 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.60 1jd2 h ASP 139 CO -0.61 0.00 -1.72 0.11 -1.61 0.00 0.00 179.24 175.41 1jd2 h LYS 140 N 0.00 0.41 0.00 0.28 1.79 0.95 -3.39 116.57 116.61 1jd2 h LYS 140 Ca 0.06 -0.70 0.00 0.00 -2.18 0.00 0.00 60.65 57.83 1jd2 h LYS 140 Cb 0.40 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1jd2 h LYS 140 CO -0.00 1.33 -1.21 0.09 -1.08 0.00 0.00 179.45 178.58 1jd2 n ASN 141 N -3.60 0.60 -4.67 0.86 4.13 -0.01 -4.95 115.26 107.61 1jd2 n ASN 141 Ca -0.24 0.11 -0.42 0.00 1.68 0.00 0.00 54.58 55.71 1jd2 n ASN 141 Cb 1.08 0.86 -0.03 0.00 -1.54 0.00 0.00 39.78 40.15 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 -3.35 2.81 0.02 3.10 5.36 -0.51 -5.03 117.98 120.39 1jd2 s PHE 142 Ca -0.01 0.90 0.09 0.00 -0.96 0.00 0.00 56.93 56.95 1jd2 s PHE 142 Cb 0.12 -3.58 -0.02 0.00 -0.34 0.00 0.00 43.02 39.20 1jd2 s PHE 142 CO 0.82 -2.07 -0.26 1.03 -1.46 0.00 0.00 175.22 173.27 1jd2 s ARG 143 N 3.02 1.91 0.49 10.12 0.52 -1.26 -5.00 118.95 128.75 1jd2 s ARG 143 Ca 0.60 -1.01 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 1jd2 s ARG 143 Cb -0.26 -1.97 -0.08 0.00 0.52 0.00 0.00 34.95 33.15 1jd2 s ARG 143 CO 0.21 0.52 1.03 -1.21 0.02 0.00 0.00 175.30 175.87 1jd2 s GLU 144 N -0.94 3.83 -1.02 3.54 2.02 -1.26 -4.20 118.70 120.66 1jd2 s GLU 144 Ca 0.11 1.32 -0.03 0.00 0.02 0.00 0.00 54.97 56.39 1jd2 s GLU 144 Cb -0.10 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1jd2 s GLU 144 CO 0.01 -0.40 0.87 0.09 0.02 0.00 0.00 175.26 175.84 1jd2 n ASN 145 N -0.99 -3.43 -4.69 -0.19 5.03 -1.26 -5.03 115.26 104.68 1jd2 n ASN 145 Ca 0.09 -0.48 -0.29 0.00 0.87 0.00 0.00 54.58 54.78 1jd2 n ASN 145 Cb 0.53 -4.22 0.11 0.00 -1.02 0.00 0.00 39.78 35.18 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 -5.48 1.64 0.36 3.52 -1.94 -1.26 -4.57 119.30 111.56 1jd2 s MET 146 Ca 0.19 -0.11 -0.00 0.00 -1.71 0.00 0.00 55.69 54.05 1jd2 s MET 146 Cb -0.08 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 1jd2 s MET 146 CO 0.59 -1.76 0.57 -1.54 -0.01 0.00 0.00 175.02 172.87 1jd2 s SER 147 N -4.66 6.30 0.11 3.03 1.04 -1.26 -2.69 113.70 115.56 1jd2 s SER 147 Ca 0.65 0.50 -0.33 0.00 0.48 0.00 0.00 55.95 57.25 1jd2 s SER 147 Cb -0.09 -2.05 -0.13 0.00 0.10 0.00 0.00 66.02 63.85 1jd2 s SER 147 CO 0.49 -0.32 1.53 0.50 0.98 0.00 0.00 173.24 176.43 1jd2 h LYS 148 N 0.73 -0.59 -0.85 4.02 3.64 -1.99 0.18 116.57 121.73 1jd2 h LYS 148 Ca -0.49 0.04 0.20 0.00 -1.27 0.00 0.00 60.65 59.13 1jd2 h LYS 148 Cb 1.22 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 33.05 1jd2 h LYS 148 CO 0.61 -0.39 0.31 1.05 -2.27 0.00 0.00 179.45 178.76 1jd2 h GLU 149 N -0.61 0.34 -0.52 1.90 4.11 -2.00 -0.01 114.58 117.79 1jd2 h GLU 149 Ca 0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1jd2 h GLU 149 Cb 0.68 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1jd2 h GLU 149 CO -0.38 0.22 0.14 0.93 0.07 0.00 0.00 179.01 180.00 1jd2 h GLU 150 N 0.35 0.82 -0.31 1.06 5.08 -1.41 -2.74 114.58 117.44 1jd2 h GLU 150 Ca 0.51 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1jd2 h GLU 150 Cb 0.94 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1jd2 h GLU 150 CO -0.53 0.78 -0.18 1.15 -1.00 0.00 0.00 179.01 179.23 1jd2 h THR 151 N 0.72 1.29 -0.84 1.13 2.02 0.62 -1.97 112.91 115.89 1jd2 h THR 151 Ca 0.17 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 66.13 1jd2 h THR 151 Cb 0.31 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1jd2 h THR 151 CO -0.00 0.42 0.55 0.58 0.37 0.00 0.00 175.52 177.43 1jd2 h VAL 152 N 0.42 1.02 0.86 3.16 2.07 -1.02 -0.53 116.25 122.24 1jd2 h VAL 152 Ca 0.07 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1jd2 h VAL 152 Cb 0.71 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1jd2 h VAL 152 CO 0.05 0.16 -0.41 0.44 0.02 0.00 0.00 177.57 177.83 1jd2 h ASP 153 N 0.89 -0.98 -0.84 0.57 3.45 -1.21 0.42 116.42 118.72 1jd2 h ASP 153 Ca 0.37 0.03 0.20 0.00 0.43 0.00 0.00 57.03 58.06 1jd2 h ASP 153 Cb 0.28 0.25 -0.15 0.00 -0.56 0.00 0.00 39.33 39.16 1jd2 h ASP 153 CO -0.14 -0.63 0.03 0.15 -1.57 0.00 0.00 179.24 177.08 1jd2 h PHE 154 N -1.28 -0.01 -0.03 4.55 3.57 -0.98 0.55 116.94 123.31 1jd2 h PHE 154 Ca -0.12 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1jd2 h PHE 154 Cb 0.89 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1jd2 h PHE 154 CO -0.00 -0.29 -0.01 0.82 -2.23 0.00 0.00 178.31 176.60 1jd2 h ILE 155 N 0.09 1.31 -1.00 1.41 2.04 -0.98 -1.25 117.51 119.12 1jd2 h ILE 155 Ca 0.48 -0.94 0.14 0.00 1.00 0.00 0.00 64.86 65.54 1jd2 h ILE 155 Cb 0.89 1.89 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 1jd2 h ILE 155 CO -0.74 0.25 0.63 0.50 0.00 0.00 0.00 178.15 178.79 1jd2 h LYS 156 N -0.32 0.89 0.26 2.37 3.64 0.36 -1.99 116.57 121.78 1jd2 h LYS 156 Ca 0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1jd2 h LYS 156 Cb 0.41 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jd2 h LYS 156 CO 0.00 0.59 -0.13 0.45 -2.27 0.00 0.00 179.45 178.10 1jd2 h HIS 157 N 0.92 -0.32 -0.96 1.91 3.86 -0.09 -2.68 115.15 117.78 1jd2 h HIS 157 Ca 0.53 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.86 1jd2 h HIS 157 Cb 0.63 0.11 -0.15 0.00 1.06 0.00 0.00 27.41 29.06 1jd2 h HIS 157 CO -0.00 -0.20 -0.41 0.43 0.86 0.00 0.00 177.93 178.60 1jd2 n SER 158 N -4.66 -0.70 -0.14 2.45 7.64 -0.48 -0.07 113.62 117.66 1jd2 n SER 158 Ca -0.04 1.68 -0.07 0.00 1.01 0.00 0.00 58.87 61.44 1jd2 n SER 158 Cb 0.14 -0.35 0.09 0.00 -1.01 0.00 0.00 64.21 63.08 1jd2 n SER 158 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jd2 h LEU 159 N 0.00 0.88 -1.46 -3.43 3.38 -1.49 -2.04 115.31 111.15 1jd2 h LEU 159 Ca 0.30 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1jd2 h LEU 159 Cb 0.54 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1jd2 h LEU 159 CO -0.94 0.98 0.48 0.77 0.09 0.00 0.00 178.44 179.82 1jd2 h SER 160 N 0.81 0.55 0.41 -0.43 4.64 -0.12 0.46 113.55 119.87 1jd2 h SER 160 Ca 0.14 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1jd2 h SER 160 Cb 0.58 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1jd2 h SER 160 CO 0.04 0.33 -0.20 1.56 -0.87 0.00 0.00 176.83 177.68 1jd2 h GLN 161 N 0.61 -0.53 -0.96 4.77 1.08 -0.69 -1.10 115.11 118.27 1jd2 h GLN 161 Ca 0.33 0.04 0.23 0.00 -1.45 0.00 0.00 58.65 57.80 1jd2 h GLN 161 Cb 0.49 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.92 1jd2 h GLN 161 CO -0.12 -0.23 0.53 0.00 -0.95 0.00 0.00 178.83 178.07 1jd2 h ALA 162 N -0.44 1.65 -0.18 3.87 0.00 -0.33 0.92 119.26 124.74 1jd2 h ALA 162 Ca -0.06 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1jd2 h ALA 162 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jd2 h ALA 162 CO 0.09 -0.26 -0.33 0.82 0.00 0.00 0.00 179.25 179.58 1jd2 h ILE 163 N 0.55 1.28 0.14 0.00 2.04 -0.06 -1.45 117.51 120.02 1jd2 h ILE 163 Ca 0.60 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1jd2 h ILE 163 Cb 1.11 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1jd2 h ILE 163 CO -0.47 0.43 -0.13 0.50 0.00 0.00 0.00 178.15 178.48 1jd2 h LYS 164 N 0.33 -0.28 0.10 2.37 3.64 0.22 -3.36 116.57 119.59 1jd2 h LYS 164 Ca 0.04 0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 1jd2 h LYS 164 Cb 0.74 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1jd2 h LYS 164 CO 0.06 -0.18 -1.01 -1.49 -2.27 0.00 0.00 179.45 174.56 1jd2 h TRP 165 N -0.29 0.38 -3.34 1.91 4.06 -1.21 -3.46 115.95 114.01 1jd2 h TRP 165 Ca 0.00 -0.28 -0.58 0.00 2.06 0.00 0.00 58.89 60.09 1jd2 h TRP 165 Cb 0.27 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.34 1jd2 h TRP 165 CO -0.12 1.39 0.30 0.34 -3.56 0.00 0.00 178.44 176.80 1jd2 s ASP 166 N -6.89 6.90 0.21 -3.49 2.15 -0.56 -4.92 116.67 110.07 1jd2 s ASP 166 Ca -0.18 1.10 0.25 0.00 0.43 0.00 0.00 52.55 54.15 1jd2 s ASP 166 Cb 0.02 -2.43 0.89 0.00 -0.30 0.00 0.00 42.92 41.11 1jd2 s ASP 166 CO 0.76 -0.35 1.75 0.61 -0.17 0.00 0.00 175.17 177.78 1jd2 n GLY 167 N 3.50 -1.52 0.00 2.66 0.00 -1.26 -2.17 105.19 106.39 1jd2 n GLY 167 Ca 0.03 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.19 0.00 -4.15 1.61 7.64 -1.26 -4.79 113.62 110.47 1jd2 n SER 168 Ca 0.04 -1.24 -0.15 0.00 1.01 0.00 0.00 58.87 58.54 1jd2 n SER 168 Cb 0.35 0.00 -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 -1.70 1.38 0.00 6.43 0.01 -0.92 -1.25 113.70 117.65 1jd2 s SER 169 Ca 0.30 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1jd2 s SER 169 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1jd2 s SER 169 CO 0.23 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1jd2 n GLY 170 N 0.88 -0.54 5.70 3.44 0.00 -1.26 -4.85 105.19 108.56 1jd2 n GLY 170 Ca -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.82 3.33 -0.02 0.00 -1.26 -2.04 105.19 107.01 1jd2 n GLY 171 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 1.31 -0.07 1.61 -7.23 -1.26 -4.42 120.40 110.34 1jd2 s VAL 172 Ca 0.00 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 57.94 1jd2 s VAL 172 Cb 0.00 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 1jd2 s VAL 172 CO 0.00 -0.49 0.35 -0.63 -0.31 0.00 0.00 175.10 174.02 1jd2 s ILE 173 N -3.24 5.18 0.06 -0.62 1.01 -0.50 -3.16 121.20 119.93 1jd2 s ILE 173 Ca 0.24 0.69 0.09 0.00 0.00 0.00 0.00 60.65 61.67 1jd2 s ILE 173 Cb 0.03 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1jd2 s ILE 173 CO 0.07 0.51 -0.25 -0.13 0.00 0.00 0.00 174.94 175.14 1jd2 s ARG 174 N -0.53 1.60 0.06 2.79 0.52 -0.02 -1.07 118.95 122.31 1jd2 s ARG 174 Ca 0.21 -1.09 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1jd2 s ARG 174 Cb -0.15 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1jd2 s ARG 174 CO 0.09 0.46 0.01 -1.64 0.02 0.00 0.00 175.30 174.25 1jd2 s MET 175 N -1.35 0.67 -0.07 3.54 -1.94 -0.37 -0.63 119.30 119.15 1jd2 s MET 175 Ca 0.11 -1.19 -0.04 0.00 -1.71 0.00 0.00 55.69 52.86 1jd2 s MET 175 Cb -0.10 0.23 0.03 0.00 2.01 0.00 0.00 34.83 37.01 1jd2 s MET 175 CO 0.03 -0.15 0.16 0.08 -0.01 0.00 0.00 175.02 175.13 1jd2 s VAL 176 N -3.92 -0.04 -0.16 -6.03 1.01 -0.16 -2.18 120.40 108.93 1jd2 s VAL 176 Ca 0.08 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1jd2 s VAL 176 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1jd2 s VAL 176 CO -0.09 0.05 -0.05 -0.69 0.00 0.00 0.00 175.10 174.32 1jd2 s VAL 177 N 0.91 3.66 -0.29 2.92 1.01 0.22 -2.28 120.40 126.56 1jd2 s VAL 177 Ca -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1jd2 s VAL 177 Cb -0.09 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1jd2 s VAL 177 CO -0.05 0.48 -0.02 -0.76 0.00 0.00 0.00 175.10 174.76 1jd2 s LEU 178 N 0.56 3.79 0.27 3.92 1.02 -0.53 -1.92 118.68 125.80 1jd2 s LEU 178 Ca -0.04 -1.24 -0.03 0.00 0.02 0.00 0.00 54.13 52.84 1jd2 s LEU 178 Cb -0.15 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 1jd2 s LEU 178 CO 0.03 -0.24 0.34 0.42 0.02 0.00 0.00 176.35 176.91 1jd2 s THR 179 N 1.25 0.00 0.13 5.49 -4.23 -0.54 -2.47 115.64 115.27 1jd2 s THR 179 Ca -0.05 -1.74 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 1jd2 s THR 179 Cb -0.19 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1jd2 s THR 179 CO -0.02 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.67 1jd2 h ALA 180 N 2.32 -0.43 0.00 3.99 0.00 -1.97 0.17 119.26 123.34 1jd2 h ALA 180 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jd2 h ALA 180 Cb 1.24 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1jd2 h ALA 180 CO 0.42 -0.82 0.09 0.00 0.00 0.00 0.00 179.25 178.94 1jd2 n ALA 181 N -2.82 0.83 0.00 0.00 0.00 -1.26 -4.88 120.51 112.37 1jd2 n ALA 181 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1jd2 n ALA 181 Cb 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.35 0.65 2.84 0.00 0.00 0.61 -5.06 105.19 102.88 1jd2 n GLY 183 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.75 0.46 -0.03 1.61 1.01 -1.26 -1.47 120.40 116.98 1jd2 s VAL 184 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1jd2 s VAL 184 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1jd2 s VAL 184 CO 0.00 0.24 -0.22 -0.70 0.00 0.00 0.00 175.10 174.41 1jd2 s GLU 185 N 1.36 1.99 -0.33 2.72 2.12 -0.81 -4.93 118.70 120.82 1jd2 s GLU 185 Ca -0.04 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 1jd2 s GLU 185 Cb -0.13 -1.83 -0.00 0.00 0.26 0.00 0.00 34.13 32.42 1jd2 s GLU 185 CO -0.02 0.43 0.19 1.03 -0.54 0.00 0.00 175.26 176.35 1jd2 s ARG 186 N -0.38 3.28 -0.00 4.30 1.81 -1.26 -0.61 118.95 126.09 1jd2 s ARG 186 Ca 0.04 -0.77 0.04 0.00 -1.72 0.00 0.00 55.73 53.33 1jd2 s ARG 186 Cb -0.10 -3.66 -0.03 0.00 -0.45 0.00 0.00 34.95 30.71 1jd2 s ARG 186 CO 0.00 -0.48 -0.12 -0.51 -0.68 0.00 0.00 175.30 173.52 1jd2 s LEU 187 N 1.63 2.90 0.02 2.53 1.43 -0.92 -5.02 118.68 121.24 1jd2 s LEU 187 Ca 0.05 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1jd2 s LEU 187 Cb -0.18 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1jd2 s LEU 187 CO 0.07 0.29 -0.03 -0.51 0.23 0.00 0.00 176.35 176.40 1jd2 s ILE 187 N -0.90 0.16 -0.05 -0.59 2.07 -1.26 -1.24 121.20 119.39 1jd2 s ILE 187 Ca 0.15 -0.99 -0.02 0.00 -1.41 0.00 0.00 60.65 58.38 1jd2 s ILE 187 Cb -0.11 -0.38 0.04 0.00 0.13 0.00 0.00 42.46 42.13 1jd2 s ILE 187 CO 0.05 -0.52 0.09 -0.36 -1.91 0.00 0.00 174.94 172.29 1jd2 s PHE 187 N -1.62 -0.05 0.63 3.50 0.08 -0.23 -4.99 117.98 115.29 1jd2 s PHE 187 Ca -0.14 0.35 -0.07 0.00 0.12 0.00 0.00 56.93 57.20 1jd2 s PHE 187 Cb -0.09 -0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.11 1jd2 s PHE 187 CO -0.01 -0.18 0.95 0.71 -0.10 0.00 0.00 175.22 176.59 1jd2 s TYR 187 N 1.68 3.19 0.09 0.36 2.02 -1.26 -1.41 117.35 122.02 1jd2 s TYR 187 Ca -0.02 0.65 -0.33 0.00 -0.37 0.00 0.00 57.07 56.99 1jd2 s TYR 187 Cb -0.12 -2.88 -0.15 0.00 -0.40 0.00 0.00 41.96 38.41 1jd2 s TYR 187 CO -0.04 -1.00 1.53 -1.35 -1.57 0.00 0.00 175.55 173.12 1jd2 h PRO 187 N -0.33 -0.79 0.00 -1.71 0.11 -1.99 -2.20 132.00 125.10 1jd2 h PRO 187 Ca -0.45 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jd2 h PRO 187 Cb 1.27 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1jd2 h PRO 187 CO 0.61 -0.53 0.58 -0.25 -0.21 0.00 0.00 178.00 178.21 1jd2 n ASP 187 N -5.34 0.11 -0.08 -2.05 8.00 -1.26 -1.30 116.55 114.63 1jd2 n ASP 187 Ca -0.09 0.34 -0.09 0.00 0.71 0.00 0.00 54.79 55.66 1jd2 n ASP 187 Cb 0.41 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.82 0.50 0.26 -1.24 2.13 -0.85 -4.70 120.64 114.91 1jd2 n GLU 187 Ca -0.00 0.20 0.10 0.00 0.66 0.00 0.00 57.16 58.12 1jd2 n GLU 187 Cb 0.59 -1.38 0.67 0.00 0.27 0.00 0.00 31.44 31.60 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 -0.94 0.00 -0.34 4.31 -0.00 -0.89 -3.22 116.97 115.90 1jd2 h TYR 187 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.69 1jd2 h TYR 187 Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.69 1jd2 h TYR 187 CO -0.39 0.10 0.18 0.93 -0.00 0.00 0.00 178.16 178.98 1jd2 h GLU 187 N 0.00 0.48 -3.87 0.10 5.08 -1.58 -3.35 114.58 111.44 1jd2 h GLU 187 Ca -0.00 -0.06 -0.79 0.00 -1.00 0.00 0.00 59.36 57.51 1jd2 h GLU 187 Cb 0.22 -0.09 -0.26 0.00 0.50 0.00 0.00 28.75 29.12 1jd2 h GLU 187 CO 0.01 0.41 0.09 -0.65 -1.00 0.00 0.00 179.01 177.88 1jd2 s GLN 187 N -5.80 3.57 0.00 2.33 1.11 -1.22 -5.08 119.66 114.57 1jd2 s GLN 187 Ca -0.13 -2.41 0.00 0.00 0.01 0.00 0.00 55.36 52.83 1jd2 s GLN 187 Cb 0.10 -4.43 0.00 0.00 -1.01 0.00 0.00 33.01 27.66 1jd2 s GLN 187 CO 0.73 -1.30 0.00 1.28 0.01 0.00 0.00 175.29 176.01