#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd2 s ASP 1 N 0.00 4.73 -0.17 6.12 1.01 -1.26 -4.99 116.67 122.10 1jd2 s ASP 1 Ca 0.00 0.38 -0.08 0.00 0.71 0.00 0.00 52.55 53.56 1jd2 s ASP 1 Cb 0.00 -1.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.89 1jd2 s ASP 1 CO 0.00 -1.65 0.09 -0.63 0.21 0.00 0.00 175.17 173.19 1jd2 s ILE 2 N -3.25 5.05 -0.04 0.77 1.01 -1.26 -4.88 121.20 118.60 1jd2 s ILE 2 Ca 0.61 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 1jd2 s ILE 2 Cb -0.10 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.13 1jd2 s ILE 2 CO 0.45 0.48 0.06 -0.63 0.00 0.00 0.00 174.94 175.30 1jd2 s ILE 3 N 0.11 -0.11 0.09 2.92 -1.09 -1.26 -1.32 121.20 120.54 1jd2 s ILE 3 Ca 0.07 0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 1jd2 s ILE 3 Cb -0.12 -0.15 -0.04 0.00 -1.58 0.00 0.00 42.46 40.58 1jd2 s ILE 3 CO 0.00 0.17 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.03 1jd2 s LEU 4 N 2.02 2.41 -0.02 2.97 1.43 -0.86 -2.83 118.68 123.79 1jd2 s LEU 4 Ca 0.03 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.15 1jd2 s LEU 4 Cb -0.12 -0.19 0.03 0.00 0.03 0.00 0.00 46.19 45.93 1jd2 s LEU 4 CO -0.03 -0.32 0.34 -0.83 0.23 0.00 0.00 176.35 175.73 1jd2 s GLY 5 N -2.46 -0.18 -0.16 -3.19 0.00 -0.63 -1.56 107.32 99.13 1jd2 s GLY 5 Ca 0.04 0.42 -0.08 0.00 0.00 0.00 0.00 44.72 45.10 1jd2 s GLY 5 CO -0.02 0.21 0.37 -1.50 0.00 0.00 0.00 173.10 172.16 1jd2 s ILE 6 N -1.25 -0.03 -0.22 0.90 1.10 -0.25 -1.08 121.20 120.37 1jd2 s ILE 6 Ca -0.13 0.11 -0.07 0.00 -0.51 0.00 0.00 60.65 60.05 1jd2 s ILE 6 Cb -0.05 -0.56 -0.03 0.00 0.15 0.00 0.00 42.46 41.97 1jd2 s ILE 6 CO 0.04 0.04 0.06 -0.60 -2.11 0.00 0.00 174.94 172.38 1jd2 s ARG 7 N 1.38 3.77 0.00 3.50 3.52 0.26 -0.28 118.95 131.09 1jd2 s ARG 7 Ca -0.09 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1jd2 s ARG 7 Cb -0.09 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1jd2 s ARG 7 CO -0.12 -0.01 0.00 1.33 -0.81 0.00 0.00 175.30 175.70 1jd2 n VAL 8 N 4.37 0.00 0.02 7.11 0.24 0.05 -4.84 118.33 125.29 1jd2 n VAL 8 Ca -0.16 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.95 1jd2 n VAL 8 Cb 0.52 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 1jd2 n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1jd2 h GLN 9 N 0.00 0.23 -0.10 7.34 4.15 -1.44 -3.39 115.11 121.90 1jd2 h GLN 9 Ca 0.00 -0.40 -0.05 0.00 0.77 0.00 0.00 58.65 58.97 1jd2 h GLN 9 Cb 0.00 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1jd2 h GLN 9 CO 0.00 1.19 -0.32 -0.25 -1.93 0.00 0.00 178.83 177.52 1jd2 n ASP 10 N -4.20 2.04 0.00 -0.69 8.00 -1.26 -4.53 116.55 115.91 1jd2 n ASP 10 Ca -0.15 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.60 1jd2 n ASP 10 Cb 0.77 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1jd2 n ASP 10 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jd2 n SER 11 N -1.14 0.00 -3.97 -2.24 3.41 -1.26 -4.72 113.62 103.70 1jd2 n SER 11 Ca 0.22 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.63 1jd2 n SER 11 Cb 0.78 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.57 1jd2 n SER 11 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jd2 s VAL 12 N -2.00 0.72 -0.08 -3.33 1.01 -0.92 -0.77 120.40 115.03 1jd2 s VAL 12 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1jd2 s VAL 12 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1jd2 s VAL 12 CO 0.00 0.24 -0.18 -0.63 0.00 0.00 0.00 175.10 174.53 1jd2 s ILE 13 N 0.39 2.68 -0.05 2.22 1.01 0.62 -1.09 121.20 126.99 1jd2 s ILE 13 Ca -0.06 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1jd2 s ILE 13 Cb -0.10 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1jd2 s ILE 13 CO 0.01 0.56 -0.19 -0.76 0.00 0.00 0.00 174.94 174.56 1jd2 s LEU 14 N -0.17 1.95 0.12 2.97 1.43 -0.67 -1.09 118.68 123.22 1jd2 s LEU 14 Ca -0.02 -0.39 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1jd2 s LEU 14 Cb -0.14 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1jd2 s LEU 14 CO 0.03 0.18 -0.26 0.00 0.23 0.00 0.00 176.35 176.53 1jd2 s ALA 15 N -0.02 2.38 -0.24 4.21 0.00 -0.60 -1.22 121.76 126.26 1jd2 s ALA 15 Ca -0.03 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 1jd2 s ALA 15 Cb -0.12 -0.41 0.09 0.00 0.00 0.00 0.00 23.12 22.68 1jd2 s ALA 15 CO 0.02 0.54 0.56 -1.12 0.00 0.00 0.00 175.76 175.77 1jd2 s SER 16 N -1.94 -0.76 0.49 0.00 0.01 -0.76 -2.04 113.70 108.70 1jd2 s SER 16 Ca 0.14 1.29 -0.20 0.00 1.31 0.00 0.00 55.95 58.49 1jd2 s SER 16 Cb -0.10 1.49 -0.10 0.00 0.21 0.00 0.00 66.02 67.52 1jd2 s SER 16 CO 0.06 -0.22 0.57 -1.54 0.41 0.00 0.00 173.24 172.51 1jd2 n SER 17 N 4.83 -0.79 -1.82 2.44 3.41 -0.43 -1.36 113.62 119.90 1jd2 n SER 17 Ca -0.16 0.83 -0.02 0.00 -0.26 0.00 0.00 58.87 59.27 1jd2 n SER 17 Cb 0.54 -1.16 0.32 0.00 -0.26 0.00 0.00 64.21 63.64 1jd2 n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jd2 n LYS 18 N 0.25 3.80 -4.66 4.33 5.02 0.52 -4.73 118.16 122.69 1jd2 n LYS 18 Ca 0.11 -3.09 -0.30 0.00 -2.02 0.00 0.00 58.31 53.01 1jd2 n LYS 18 Cb 0.44 -2.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.13 1jd2 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jd2 s ALA 19 N -2.95 2.30 -0.23 7.82 0.00 -1.20 -1.69 121.76 125.81 1jd2 s ALA 19 Ca 0.53 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1jd2 s ALA 19 Cb 0.42 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.18 1jd2 s ALA 19 CO 0.13 0.53 -0.05 0.08 0.00 0.00 0.00 175.76 176.46 1jd2 s VAL 20 N -0.92 1.46 0.02 0.00 1.01 -0.76 -4.95 120.40 116.25 1jd2 s VAL 20 Ca 0.13 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1jd2 s VAL 20 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1jd2 s VAL 20 CO 0.04 -0.11 -0.00 -0.89 0.00 0.00 0.00 175.10 174.14 1jd2 s THR 21 N 1.43 4.11 -0.17 3.92 2.01 -1.26 0.28 115.64 125.95 1jd2 s THR 21 Ca -0.06 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1jd2 s THR 21 Cb -0.19 -2.86 0.06 0.00 0.01 0.00 0.00 72.50 69.52 1jd2 s THR 21 CO -0.06 0.32 0.08 -0.13 -0.69 0.00 0.00 174.62 174.13 1jd2 s ARG 22 N -1.73 0.17 4.87 4.92 1.81 0.14 -4.90 118.95 124.23 1jd2 s ARG 22 Ca 0.21 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.10 1jd2 s ARG 22 Cb -0.12 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 1jd2 s ARG 22 CO 0.12 -0.65 0.00 0.41 -0.68 0.00 0.00 175.30 174.50 1jd2 n GLY 23 N 5.24 0.94 0.07 -3.53 0.00 -1.26 -2.23 105.19 104.42 1jd2 n GLY 23 Ca -0.07 0.52 0.11 0.00 0.00 0.00 0.00 46.02 46.58 1jd2 n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jd2 n ILE 24 N 0.00 0.36 -4.47 -0.61 3.06 -1.26 -4.97 119.36 111.48 1jd2 n ILE 24 Ca 0.00 -0.43 -0.24 0.00 -2.50 0.00 0.00 62.75 59.58 1jd2 n ILE 24 Cb 0.00 -0.11 -0.10 0.00 0.54 0.00 0.00 39.64 39.97 1jd2 n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1jd2 s SER 25 N -4.71 3.62 -0.42 9.51 0.01 -0.94 -5.09 113.70 115.68 1jd2 s SER 25 Ca -0.00 -1.03 -0.17 0.00 1.31 0.00 0.00 55.95 56.06 1jd2 s SER 25 Cb 0.12 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1jd2 s SER 25 CO 0.81 0.03 0.40 -0.69 0.41 0.00 0.00 173.24 174.20 1jd2 s VAL 26 N -2.51 5.13 0.15 3.43 1.01 -1.26 -0.68 120.40 125.67 1jd2 s VAL 26 Ca 0.30 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1jd2 s VAL 26 Cb -0.05 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.15 1jd2 s VAL 26 CO 0.15 -0.39 1.34 -0.07 0.00 0.00 0.00 175.10 176.14 1jd2 h LEU 27 N 8.95 0.12 -7.27 3.92 3.38 -0.53 -3.47 115.31 120.41 1jd2 h LEU 27 Ca -0.27 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1jd2 h LEU 27 Cb 1.11 -0.04 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 1jd2 h LEU 27 CO 0.78 0.98 -0.30 -0.75 0.09 0.00 0.00 178.44 179.24 1jd2 s LYS 28 N -2.98 0.40 -0.12 1.13 2.20 -1.10 -4.97 119.74 114.29 1jd2 s LYS 28 Ca -0.01 0.68 0.18 0.00 -0.36 0.00 0.00 55.97 56.46 1jd2 s LYS 28 Cb 0.10 0.05 0.74 0.00 -1.51 0.00 0.00 37.83 37.21 1jd2 s LYS 28 CO 0.82 -0.12 1.65 -0.40 -0.36 0.00 0.00 175.35 176.94 1jd2 n ASP 29 N 3.77 4.89 -2.75 1.43 3.85 -1.26 -1.83 116.55 124.66 1jd2 n ASP 29 Ca -0.20 -2.48 -0.10 0.00 -0.71 0.00 0.00 54.79 51.30 1jd2 n ASP 29 Cb 0.56 -0.59 0.05 0.00 -1.35 0.00 0.00 41.12 39.79 1jd2 n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1jd2 n SER 30 N 1.13 0.11 -4.80 -1.12 3.41 -0.68 -4.72 113.62 106.95 1jd2 n SER 30 Ca 0.26 -2.75 -0.38 0.00 -0.26 0.00 0.00 58.87 55.74 1jd2 n SER 30 Cb 0.92 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1jd2 n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jd2 s ASP 31 N -2.34 6.91 -0.58 4.04 3.68 -0.96 -5.03 116.67 122.40 1jd2 s ASP 31 Ca 0.27 1.09 -0.10 0.00 2.13 0.00 0.00 52.55 55.93 1jd2 s ASP 31 Cb 0.42 -2.32 0.15 0.00 -1.45 0.00 0.00 42.92 39.72 1jd2 s ASP 31 CO -0.02 0.22 0.47 -0.62 0.13 0.00 0.00 175.17 175.35 1jd2 s ASP 32 N -0.70 5.92 -0.05 -0.34 3.68 -1.26 -4.50 116.67 119.43 1jd2 s ASP 32 Ca 0.27 -2.20 -0.04 0.00 2.13 0.00 0.00 52.55 52.71 1jd2 s ASP 32 Cb -0.18 -2.06 -0.17 0.00 -1.45 0.00 0.00 42.92 39.07 1jd2 s ASP 32 CO 0.16 -0.64 3.13 0.29 0.13 0.00 0.00 175.17 178.24 1jd2 n LYS 33 N 4.55 1.79 -3.70 4.34 5.02 -1.26 -4.85 118.16 124.04 1jd2 n LYS 33 Ca -0.02 -0.89 -0.11 0.00 -2.02 0.00 0.00 58.31 55.27 1jd2 n LYS 33 Cb 0.41 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1jd2 n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jd2 s THR 34 N 0.41 0.08 0.02 -0.18 -1.32 -1.26 -2.43 115.64 110.95 1jd2 s THR 34 Ca 0.50 -0.65 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1jd2 s THR 34 Cb 0.25 -1.06 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 1jd2 s THR 34 CO -0.02 -0.36 -0.05 -0.13 -2.21 0.00 0.00 174.62 171.86 1jd2 s ARG 35 N -3.08 0.37 -0.33 7.08 1.81 -0.64 -5.01 118.95 119.15 1jd2 s ARG 35 Ca -0.01 -0.45 -0.22 0.00 -1.72 0.00 0.00 55.73 53.33 1jd2 s ARG 35 Cb 0.01 -0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.30 1jd2 s ARG 35 CO -0.07 0.04 0.71 -1.14 -0.68 0.00 0.00 175.30 174.16 1jd2 s GLN 36 N -0.89 3.84 -0.05 3.54 0.74 -1.26 -1.88 119.66 123.69 1jd2 s GLN 36 Ca -0.06 0.33 -0.23 0.00 0.05 0.00 0.00 55.36 55.45 1jd2 s GLN 36 Cb -0.06 -3.76 -0.26 0.00 1.10 0.00 0.00 33.01 30.03 1jd2 s GLN 36 CO -0.00 -0.70 0.98 -0.07 -0.55 0.00 0.00 175.29 174.95 1jd2 h LEU 37 N 9.41 0.33 -7.40 3.68 3.38 -1.18 -3.47 115.31 120.06 1jd2 h LEU 37 Ca -0.26 -0.85 -0.09 0.00 0.09 0.00 0.00 57.88 56.78 1jd2 h LEU 37 Cb 1.10 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 1jd2 h LEU 37 CO 0.86 1.15 -0.14 -0.94 0.09 0.00 0.00 178.44 179.45 1jd2 s SER 38 N -6.58 -0.27 0.00 -0.43 1.04 -1.06 -4.27 113.70 102.13 1jd2 s SER 38 Ca -0.15 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1jd2 s SER 38 Cb 0.01 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1jd2 s SER 38 CO 0.78 -0.59 0.04 -0.81 0.98 0.00 0.00 173.24 173.63 1jd2 n PRO 39 N 0.76 0.00 -0.62 4.02 -0.04 -1.26 0.17 135.00 138.03 1jd2 n PRO 39 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1jd2 n PRO 39 Cb 0.58 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1jd2 n PRO 39 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jd2 n HIS 40 N -0.50 0.00 -3.70 0.54 8.25 -1.26 -4.42 115.22 114.13 1jd2 n HIS 40 Ca 0.00 -0.07 -0.16 0.00 -0.26 0.00 0.00 57.72 57.23 1jd2 n HIS 40 Cb 0.00 0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.01 1jd2 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jd2 s THR 41 N 0.00 -0.17 -0.01 1.59 2.01 0.13 -1.86 115.64 117.33 1jd2 s THR 41 Ca 0.03 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.40 1jd2 s THR 41 Cb 0.04 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1jd2 s THR 41 CO -0.02 0.12 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.59 1jd2 s LEU 42 N 1.85 2.07 -0.06 4.42 2.96 0.07 -0.54 118.68 129.45 1jd2 s LEU 42 Ca -0.01 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1jd2 s LEU 42 Cb -0.12 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.44 1jd2 s LEU 42 CO -0.05 0.26 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.81 1jd2 s MET 43 N -0.66 1.51 0.16 1.98 -2.45 -0.79 -0.67 119.30 118.38 1jd2 s MET 43 Ca 0.09 -0.36 0.07 0.00 -1.25 0.00 0.00 55.69 54.23 1jd2 s MET 43 Cb -0.09 -1.28 -0.04 0.00 1.25 0.00 0.00 34.83 34.67 1jd2 s MET 43 CO -0.00 0.03 0.01 -1.54 1.05 0.00 0.00 175.02 174.56 1jd2 s SER 44 N 0.64 4.88 0.06 1.11 1.04 0.37 -1.62 113.70 120.18 1jd2 s SER 44 Ca -0.13 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 55.91 1jd2 s SER 44 Cb -0.15 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.87 1jd2 s SER 44 CO 0.03 0.10 0.11 0.72 0.98 0.00 0.00 173.24 175.19 1jd2 s PHE 45 N -1.65 0.24 -0.15 5.02 -0.12 -1.02 -0.40 117.98 119.90 1jd2 s PHE 45 Ca 0.27 -0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 56.38 1jd2 s PHE 45 Cb -0.10 -0.16 0.04 0.00 -0.63 0.00 0.00 43.02 42.18 1jd2 s PHE 45 CO 0.19 -0.45 0.39 0.00 -0.05 0.00 0.00 175.22 175.30 1jd2 s ALA 46 N -3.46 -0.96 0.00 1.99 0.00 0.12 -4.91 121.76 114.53 1jd2 s ALA 46 Ca 0.02 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1jd2 s ALA 46 Cb 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1jd2 s ALA 46 CO -0.09 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1jd2 n GLY 47 N 3.23 -0.53 3.74 0.00 0.00 -1.26 -1.06 105.19 109.31 1jd2 n GLY 47 Ca -0.16 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1jd2 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jd2 s GLU 48 N -1.35 2.87 0.00 1.61 2.56 -0.78 -4.82 118.70 118.79 1jd2 s GLU 48 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 54.97 57.02 1jd2 s GLU 48 Cb 0.00 -2.01 0.00 0.00 2.00 0.00 0.00 34.13 34.12 1jd2 s GLU 48 CO 0.00 -1.35 0.18 0.00 -0.56 0.00 0.00 175.26 173.54 1jd2 n ALA 49 N -1.51 0.00 -0.02 6.30 0.00 -1.26 -2.31 120.51 121.71 1jd2 n ALA 49 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1jd2 n ALA 49 Cb 0.48 0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1jd2 n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jd2 h GLY 50 N 0.00 0.36 -0.82 0.00 0.00 -1.99 -3.31 103.07 97.30 1jd2 h GLY 50 Ca 0.00 -0.57 0.35 0.00 0.00 0.00 0.00 47.33 47.12 1jd2 h GLY 50 CO 0.00 0.50 0.43 -0.55 0.00 0.00 0.00 176.54 176.92 1jd2 h ASP 51 N -0.23 0.20 0.11 0.19 5.19 -1.92 -1.80 116.42 118.17 1jd2 h ASP 51 Ca -0.04 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1jd2 h ASP 51 Cb 1.09 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.85 1jd2 h ASP 51 CO 0.08 -0.32 -0.32 0.00 -3.12 0.00 0.00 179.24 175.56 1jd2 h THR 52 N 0.10 0.00 0.45 0.35 1.03 -1.55 0.17 112.91 113.46 1jd2 h THR 52 Ca 0.75 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 67.13 1jd2 h THR 52 Cb 1.83 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 1jd2 h THR 52 CO -0.75 0.00 -0.22 0.58 -0.01 0.00 0.00 175.52 175.13 1jd2 h VAL 53 N -0.48 0.47 -0.99 0.00 2.07 -1.57 -2.50 116.25 113.25 1jd2 h VAL 53 Ca -0.01 -0.44 0.20 0.00 0.82 0.00 0.00 66.70 67.26 1jd2 h VAL 53 Cb 0.47 0.64 -0.19 0.00 -1.52 0.00 0.00 31.29 30.70 1jd2 h VAL 53 CO -0.15 0.07 -0.25 0.00 0.02 0.00 0.00 177.57 177.25 1jd2 n GLN 54 N -5.24 -0.09 0.03 1.57 1.13 -0.75 0.06 117.38 114.09 1jd2 n GLN 54 Ca -0.10 1.54 -0.13 0.00 -1.94 0.00 0.00 57.00 56.37 1jd2 n GLN 54 Cb 0.30 -2.29 -0.08 0.00 0.11 0.00 0.00 30.24 28.27 1jd2 n GLN 54 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1jd2 h PHE 55 N 0.00 -0.03 -0.92 1.08 3.04 -0.55 -2.47 116.94 117.09 1jd2 h PHE 55 Ca 0.47 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.43 1jd2 h PHE 55 Cb 0.72 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.19 1jd2 h PHE 55 CO -0.76 0.20 0.60 0.00 -2.02 0.00 0.00 178.31 176.33 1jd2 h ALA 56 N 0.70 1.33 -0.38 2.41 0.00 0.08 -2.17 119.26 121.23 1jd2 h ALA 56 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1jd2 h ALA 56 Cb 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1jd2 h ALA 56 CO 0.01 0.62 -0.05 0.93 0.00 0.00 0.00 179.25 180.75 1jd2 h GLU 57 N 1.25 0.63 -0.07 0.00 5.08 -0.92 -1.81 114.58 118.75 1jd2 h GLU 57 Ca 0.34 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jd2 h GLU 57 Cb -0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1jd2 h GLU 57 CO -0.07 0.69 0.04 -0.92 -1.00 0.00 0.00 179.01 177.75 1jd2 h TYR 58 N 0.59 0.09 -0.87 4.33 3.20 -0.93 -1.42 116.97 121.96 1jd2 h TYR 58 Ca 0.11 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1jd2 h TYR 58 Cb 0.46 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1jd2 h TYR 58 CO 0.02 0.13 0.54 0.82 -1.64 0.00 0.00 178.16 178.03 1jd2 h ILE 59 N 0.03 1.24 0.50 1.81 1.08 -1.20 -1.22 117.51 119.74 1jd2 h ILE 59 Ca 0.02 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 1jd2 h ILE 59 Cb 0.07 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.78 1jd2 h ILE 59 CO -0.00 0.24 -0.47 -0.61 -0.69 0.00 0.00 178.15 176.62 1jd2 h GLN 60 N 1.19 -0.94 -0.06 2.37 4.15 -0.81 -0.45 115.11 120.57 1jd2 h GLN 60 Ca 0.32 0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.81 1jd2 h GLN 60 Cb -0.08 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1jd2 h GLN 60 CO -0.06 -0.62 -0.27 0.00 -1.93 0.00 0.00 178.83 175.94 1jd2 h ALA 61 N -0.76 -0.67 0.00 3.38 0.00 -0.93 0.32 119.26 120.61 1jd2 h ALA 61 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jd2 h ALA 61 Cb 0.84 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1jd2 h ALA 61 CO -0.05 -0.77 0.45 -0.91 0.00 0.00 0.00 179.25 177.98 1jd2 h ASN 62 N -0.30 0.00 0.03 0.00 4.21 -1.11 0.25 115.58 118.66 1jd2 h ASN 62 Ca 0.01 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.16 1jd2 h ASN 62 Cb 0.34 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.49 1jd2 h ASN 62 CO -0.22 0.00 -2.08 -0.38 -1.29 0.00 0.00 177.43 173.46 1jd2 n ILE 63 N -2.62 1.58 -0.34 2.81 2.08 0.58 -3.74 119.36 119.71 1jd2 n ILE 63 Ca -0.01 -0.39 0.09 0.00 0.56 0.00 0.00 62.75 63.00 1jd2 n ILE 63 Cb 0.49 -1.79 0.29 0.00 -0.75 0.00 0.00 39.64 37.87 1jd2 n ILE 63 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1jd2 h GLN 64 N -0.56 0.85 -0.39 0.38 4.20 0.11 -0.68 115.11 119.02 1jd2 h GLN 64 Ca -0.53 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.16 1jd2 h GLN 64 Cb 1.68 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 29.24 1jd2 h GLN 64 CO -0.19 0.57 0.20 1.25 -0.67 0.00 0.00 178.83 179.99 1jd2 h LEU 65 N 0.88 0.30 0.05 1.46 5.85 -1.20 -1.86 115.31 120.79 1jd2 h LEU 65 Ca 0.50 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 1jd2 h LEU 65 Cb 0.62 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1jd2 h LEU 65 CO -0.27 0.21 -0.02 0.22 -0.34 0.00 0.00 178.44 178.24 1jd2 h TYR 66 N 0.41 -0.06 -1.00 1.25 3.20 -1.34 -0.97 116.97 118.46 1jd2 h TYR 66 Ca 0.17 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.32 1jd2 h TYR 66 Cb 0.07 0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.22 1jd2 h TYR 66 CO -0.10 0.12 0.58 0.77 -1.64 0.00 0.00 178.16 177.89 1jd2 h SER 67 N -0.23 0.58 0.30 -2.11 0.02 -0.70 -1.47 113.55 109.93 1jd2 h SER 67 Ca -0.01 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1jd2 h SER 67 Cb 0.20 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1jd2 h SER 67 CO 0.01 -0.04 -0.14 0.40 -1.14 0.00 0.00 176.83 175.92 1jd2 h ILE 68 N 0.43 0.33 -1.39 3.27 2.04 -0.82 -0.16 117.51 121.21 1jd2 h ILE 68 Ca 0.70 -0.81 0.41 0.00 1.00 0.00 0.00 64.86 66.15 1jd2 h ILE 68 Cb 1.49 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 1jd2 h ILE 68 CO -0.55 0.08 0.97 -0.09 0.00 0.00 0.00 178.15 178.56 1jd2 h ARG 69 N -1.03 0.07 -0.02 2.37 2.43 -0.22 -0.70 114.38 117.29 1jd2 h ARG 69 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1jd2 h ARG 69 Cb 0.45 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1jd2 h ARG 69 CO 0.07 0.05 0.00 0.39 -1.51 0.00 0.00 179.97 178.96 1jd2 n GLU 70 N -4.28 0.10 -3.85 0.20 4.71 -0.66 -5.00 120.64 111.86 1jd2 n GLU 70 Ca 0.32 -0.96 -0.26 0.00 -0.01 0.00 0.00 57.16 56.26 1jd2 n GLU 70 Cb 1.42 -1.13 0.00 0.00 -1.01 0.00 0.00 31.44 30.72 1jd2 n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1jd2 n ASP 71 N 0.38 -1.64 -3.62 1.62 -0.08 -0.11 -4.93 116.55 108.17 1jd2 n ASP 71 Ca 0.04 -0.98 -0.09 0.00 -1.51 0.00 0.00 54.79 52.25 1jd2 n ASP 71 Cb 0.18 -3.28 -0.02 0.00 2.34 0.00 0.00 41.12 40.34 1jd2 n ASP 71 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1jd2 s TYR 72 N -3.79 -0.34 -0.18 -0.67 5.04 -0.99 -5.06 117.35 111.36 1jd2 s TYR 72 Ca 0.12 0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.81 1jd2 s TYR 72 Cb -0.04 0.62 0.02 0.00 0.35 0.00 0.00 41.96 42.90 1jd2 s TYR 72 CO 0.87 -0.92 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.96 1jd2 s GLU 73 N -3.64 2.99 0.53 4.97 2.12 -1.26 -4.14 118.70 120.27 1jd2 s GLU 73 Ca 0.06 -0.83 -0.22 0.00 0.36 0.00 0.00 54.97 54.34 1jd2 s GLU 73 Cb -0.03 -2.56 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 1jd2 s GLU 73 CO -0.04 -0.20 1.36 -0.51 -0.54 0.00 0.00 175.26 175.34 1jd2 s LEU 74 N 1.26 3.89 0.66 2.70 1.43 -1.26 -4.97 118.68 122.39 1jd2 s LEU 74 Ca 0.04 2.77 -0.13 0.00 -1.03 0.00 0.00 54.13 55.78 1jd2 s LEU 74 Cb -0.13 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 41.86 1jd2 s LEU 74 CO -0.12 -1.49 1.07 -0.94 0.23 0.00 0.00 176.35 175.09 1jd2 s SER 75 N -0.90 5.41 0.10 2.29 1.04 -1.26 -4.76 113.70 115.63 1jd2 s SER 75 Ca 0.70 1.75 -0.22 0.00 0.48 0.00 0.00 55.95 58.65 1jd2 s SER 75 Cb -0.40 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.10 1jd2 s SER 75 CO 0.48 -1.42 1.72 -0.65 0.98 0.00 0.00 173.24 174.35 1jd2 h PRO 76 N -0.26 -0.06 -0.68 4.02 0.11 -1.93 0.02 132.00 133.22 1jd2 h PRO 76 Ca -0.45 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.86 1jd2 h PRO 76 Cb 1.22 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1jd2 h PRO 76 CO 0.56 -0.04 0.77 0.37 -0.21 0.00 0.00 178.00 179.46 1jd2 h GLN 77 N -0.06 0.00 0.00 1.05 -0.00 -1.98 0.27 115.11 114.39 1jd2 h GLN 77 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.60 1jd2 h GLN 77 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 1jd2 h GLN 77 CO -0.08 0.00 -0.65 0.00 0.00 0.00 0.00 178.83 178.11 1jd2 h ALA 78 N 1.09 0.10 -0.88 3.38 0.00 -1.51 -3.14 119.26 118.30 1jd2 h ALA 78 Ca 0.32 -0.69 0.17 0.00 0.00 0.00 0.00 54.91 54.71 1jd2 h ALA 78 Cb 1.87 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 20.01 1jd2 h ALA 78 CO -0.00 0.44 0.45 0.28 0.00 0.00 0.00 179.25 180.41 1jd2 h VAL 79 N -1.00 0.65 0.08 0.00 2.07 0.12 -0.36 116.25 117.80 1jd2 h VAL 79 Ca -0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1jd2 h VAL 79 Cb 0.79 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1jd2 h VAL 79 CO -0.08 0.10 -0.04 0.77 0.02 0.00 0.00 177.57 178.35 1jd2 h SER 80 N 0.57 -0.09 -1.00 0.57 4.64 -1.01 -0.55 113.55 116.69 1jd2 h SER 80 Ca 0.51 -0.28 0.23 0.00 -0.47 0.00 0.00 61.79 61.78 1jd2 h SER 80 Cb 0.80 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 62.82 1jd2 h SER 80 CO -0.41 0.24 0.63 0.28 -0.87 0.00 0.00 176.83 176.69 1jd2 h SER 81 N -0.42 0.60 0.41 4.97 0.02 -1.19 0.94 113.55 118.88 1jd2 h SER 81 Ca -0.01 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1jd2 h SER 81 Cb 0.36 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jd2 h SER 81 CO 0.02 0.17 -0.19 0.15 -1.14 0.00 0.00 176.83 175.83 1jd2 h PHE 82 N 0.56 -0.50 -0.76 3.45 3.04 -0.77 -1.20 116.94 120.76 1jd2 h PHE 82 Ca 0.58 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.64 1jd2 h PHE 82 Cb 1.20 0.17 -0.09 0.00 2.56 0.00 0.00 35.95 39.79 1jd2 h PHE 82 CO -0.00 -0.23 0.35 0.28 -2.02 0.00 0.00 178.31 176.69 1jd2 h VAL 83 N -0.71 0.74 -0.29 1.41 2.07 0.23 -0.66 116.25 119.04 1jd2 h VAL 83 Ca -0.06 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1jd2 h VAL 83 Cb 0.50 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1jd2 h VAL 83 CO 0.09 0.10 0.12 -0.09 0.02 0.00 0.00 177.57 177.81 1jd2 h ARG 84 N 0.54 0.26 -0.76 1.57 2.43 0.01 -0.71 114.38 117.71 1jd2 h ARG 84 Ca 0.40 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.60 1jd2 h ARG 84 Cb 0.55 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 1jd2 h ARG 84 CO -0.35 0.17 0.48 0.37 -1.51 0.00 0.00 179.97 179.13 1jd2 h GLN 85 N 0.27 0.88 -0.73 0.20 4.15 0.08 0.33 115.11 120.30 1jd2 h GLN 85 Ca 0.13 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1jd2 h GLN 85 Cb 0.07 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1jd2 h GLN 85 CO -0.11 0.58 0.37 0.93 -1.93 0.00 0.00 178.83 178.68 1jd2 h GLU 86 N 0.91 1.02 0.05 1.69 4.39 -0.33 -0.42 114.58 121.88 1jd2 h GLU 86 Ca 0.32 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1jd2 h GLU 86 Cb 0.07 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1jd2 h GLU 86 CO -0.13 0.76 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.39 1jd2 h LEU 87 N 1.02 -0.05 -2.32 1.33 3.38 0.11 -3.12 115.31 115.66 1jd2 h LEU 87 Ca 0.25 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1jd2 h LEU 87 Cb 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jd2 h LEU 87 CO -0.04 0.56 0.19 0.00 0.09 0.00 0.00 178.44 179.25 1jd2 h ALA 88 N 0.17 1.59 -0.19 1.53 0.00 -0.29 -0.05 119.26 122.01 1jd2 h ALA 88 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1jd2 h ALA 88 Cb 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jd2 h ALA 88 CO 0.01 -0.26 -0.59 -0.22 0.00 0.00 0.00 179.25 178.20 1jd2 h LYS 89 N 0.00 0.62 0.00 0.00 3.64 -1.02 -3.33 116.57 116.48 1jd2 h LYS 89 Ca 0.06 -0.41 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 1jd2 h LYS 89 Cb 0.45 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1jd2 h LYS 89 CO -0.00 1.03 -0.75 0.66 -2.27 0.00 0.00 179.45 178.12 1jd2 h SER 90 N 0.47 0.00 -0.45 4.20 4.64 -0.95 -3.37 113.55 118.08 1jd2 h SER 90 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1jd2 h SER 90 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1jd2 h SER 90 CO 0.11 0.41 0.45 -0.29 -0.87 0.00 0.00 176.83 176.64 1jd2 h ILE 90 N 0.00 0.42 -0.39 0.95 6.09 -1.60 0.51 117.51 123.49 1jd2 h ILE 90 Ca -0.05 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.38 1jd2 h ILE 90 Cb 1.35 0.65 -0.04 0.00 0.47 0.00 0.00 36.82 39.26 1jd2 h ILE 90 CO 0.05 0.00 0.04 0.54 -3.07 0.00 0.00 178.15 175.70 1jd2 n ARG 90 N -3.81 3.14 -2.22 2.19 1.74 -1.26 -4.81 116.66 111.63 1jd2 n ARG 90 Ca 0.08 -2.97 -0.27 0.00 -0.77 0.00 0.00 57.85 53.92 1jd2 n ARG 90 Cb 0.64 -1.96 0.13 0.00 -1.02 0.00 0.00 32.46 30.25 1jd2 n ARG 90 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jd2 s SER 91 N -1.74 3.97 0.25 0.55 0.15 0.18 -4.99 113.70 112.08 1jd2 s SER 91 Ca 0.46 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.21 1jd2 s SER 91 Cb 0.38 -0.43 0.31 0.00 -1.71 0.00 0.00 66.02 64.57 1jd2 s SER 91 CO 0.09 -2.15 1.72 -0.09 1.20 0.00 0.00 173.24 174.02 1jd2 h ARG 92 N -1.00 0.73 -2.19 5.44 2.43 -1.93 -3.38 114.38 114.48 1jd2 h ARG 92 Ca -0.42 -0.23 -0.46 0.00 -0.81 0.00 0.00 59.98 58.06 1jd2 h ARG 92 Cb 1.27 -0.07 -0.34 0.00 -0.42 0.00 0.00 29.97 30.41 1jd2 h ARG 92 CO 0.45 0.81 -0.76 0.50 -1.51 0.00 0.00 179.97 179.45 1jd2 s ARG 93 N -4.80 0.64 0.42 0.20 3.52 -1.26 -5.13 118.95 112.53 1jd2 s ARG 93 Ca -0.09 -1.14 -0.24 0.00 -0.13 0.00 0.00 55.73 54.13 1jd2 s ARG 93 Cb 0.14 -0.97 -0.11 0.00 -1.56 0.00 0.00 34.95 32.45 1jd2 s ARG 93 CO 0.81 -1.22 0.97 -2.30 -0.81 0.00 0.00 175.30 172.75 1jd2 n PRO 94 N 4.02 1.27 -2.47 5.12 -0.02 -1.26 -4.91 135.00 136.75 1jd2 n PRO 94 Ca 0.13 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1jd2 n PRO 94 Cb 0.43 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1jd2 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1jd2 s TYR 95 N -1.29 3.11 -1.14 6.00 2.02 -1.26 -4.92 117.35 119.86 1jd2 s TYR 95 Ca 0.64 1.19 -0.07 0.00 -0.37 0.00 0.00 57.07 58.45 1jd2 s TYR 95 Cb -0.56 -3.42 0.26 0.00 -0.40 0.00 0.00 41.96 37.84 1jd2 s TYR 95 CO 0.57 -1.32 1.50 1.04 -1.57 0.00 0.00 175.55 175.77 1jd2 n GLN 96 N 5.72 4.03 -4.21 -0.62 6.02 -1.26 -4.88 117.38 122.18 1jd2 n GLN 96 Ca 0.12 -4.25 -0.16 0.00 -0.01 0.00 0.00 57.00 52.69 1jd2 n GLN 96 Cb 0.46 -2.65 -0.13 0.00 1.02 0.00 0.00 30.24 28.93 1jd2 n GLN 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jd2 s VAL 97 N -1.46 0.62 0.02 5.09 1.01 -1.26 -1.87 120.40 122.55 1jd2 s VAL 97 Ca 0.34 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1jd2 s VAL 97 Cb 0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1jd2 s VAL 97 CO 0.04 -0.02 -0.19 0.20 0.00 0.00 0.00 175.10 175.14 1jd2 s ASN 98 N -0.70 3.73 0.07 3.32 0.01 -0.22 -2.50 114.94 118.65 1jd2 s ASN 98 Ca -0.01 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 1jd2 s ASN 98 Cb -0.05 -0.61 -0.03 0.00 0.41 0.00 0.00 41.25 40.96 1jd2 s ASN 98 CO 0.00 0.28 -0.08 0.68 -1.51 0.00 0.00 177.10 176.47 1jd2 s VAL 99 N -0.85 0.70 -0.09 1.60 -7.23 -0.85 -0.70 120.40 112.98 1jd2 s VAL 99 Ca 0.13 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1jd2 s VAL 99 Cb -0.10 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1jd2 s VAL 99 CO 0.03 -0.53 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.32 1jd2 s LEU 100 N -2.14 1.98 -0.06 1.32 1.43 0.46 -2.42 118.68 119.25 1jd2 s LEU 100 Ca -0.01 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1jd2 s LEU 100 Cb -0.05 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1jd2 s LEU 100 CO -0.01 0.13 -0.20 -0.63 0.23 0.00 0.00 176.35 175.88 1jd2 s ILE 101 N 0.39 1.67 -0.01 -0.59 1.01 0.69 -0.48 121.20 123.88 1jd2 s ILE 101 Ca -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1jd2 s ILE 101 Cb -0.17 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1jd2 s ILE 101 CO 0.07 0.47 0.01 -0.83 0.00 0.00 0.00 174.94 174.66 1jd2 s GLY 102 N 0.16 0.05 0.31 6.18 0.00 0.16 0.50 107.32 114.68 1jd2 s GLY 102 Ca -0.09 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.62 1jd2 s GLY 102 CO 0.04 0.20 0.52 -0.32 0.00 0.00 0.00 173.10 173.54 1jd2 s GLY 103 N 0.33 0.95 -0.17 0.20 0.00 -0.34 -0.75 107.32 107.54 1jd2 s GLY 103 Ca -0.03 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.53 1jd2 s GLY 103 CO -0.01 -0.76 -0.15 -0.47 0.00 0.00 0.00 173.10 171.72 1jd2 s TYR 104 N -3.33 2.81 0.00 1.90 6.14 -0.78 -1.02 117.35 123.07 1jd2 s TYR 104 Ca 0.25 -1.19 0.00 0.00 0.64 0.00 0.00 57.07 56.77 1jd2 s TYR 104 Cb -0.01 -1.93 0.00 0.00 0.42 0.00 0.00 41.96 40.44 1jd2 s TYR 104 CO 0.14 -0.58 0.00 -3.47 0.64 0.00 0.00 175.55 172.28 1jd2 n ASP 105 N 4.34 0.00 0.00 4.32 4.64 -0.28 -4.88 116.55 124.68 1jd2 n ASP 105 Ca -0.19 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.22 1jd2 n ASP 105 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 1jd2 n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1jd2 n LYS 105 N 0.00 0.00 -3.84 -0.67 5.02 -1.26 -3.73 118.16 113.69 1jd2 n LYS 105 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1jd2 n LYS 105 Cb 0.00 -2.20 0.01 0.00 -0.02 0.00 0.00 35.03 32.82 1jd2 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jd2 n ASN 106 N 0.00 -2.59 -3.74 4.39 3.02 -1.26 -4.99 115.26 110.09 1jd2 n ASN 106 Ca 0.00 -1.02 -0.13 0.00 -0.03 0.00 0.00 54.58 53.40 1jd2 n ASN 106 Cb 0.00 -3.15 -0.10 0.00 -0.61 0.00 0.00 39.78 35.93 1jd2 n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jd2 s LYS 107 N -6.35 0.54 0.41 3.52 1.02 -1.24 -5.11 119.74 112.52 1jd2 s LYS 107 Ca 0.22 0.25 -0.09 0.00 0.02 0.00 0.00 55.97 56.37 1jd2 s LYS 107 Cb -0.08 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.42 1jd2 s LYS 107 CO 0.88 -0.11 0.75 -1.25 -0.92 0.00 0.00 175.35 174.70 1jd2 s PRO 108 N -0.40 3.72 -0.08 -1.68 0.04 -1.26 -1.13 135.00 134.22 1jd2 s PRO 108 Ca -0.05 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.24 1jd2 s PRO 108 Cb -0.03 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1jd2 s PRO 108 CO 0.02 -0.04 0.31 -1.21 0.04 0.00 0.00 177.00 176.12 1jd2 s GLU 109 N -3.97 0.48 -0.04 4.56 2.02 -0.18 -4.91 118.70 116.65 1jd2 s GLU 109 Ca 0.50 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.69 1jd2 s GLU 109 Cb -0.10 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1jd2 s GLU 109 CO 0.33 -0.09 -0.05 -1.17 0.02 0.00 0.00 175.26 174.30 1jd2 s LEU 110 N -0.40 1.42 -0.01 1.80 2.96 -1.26 -1.20 118.68 121.99 1jd2 s LEU 110 Ca -0.05 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1jd2 s LEU 110 Cb -0.03 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 1jd2 s LEU 110 CO 0.02 -0.03 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.50 1jd2 s TYR 111 N 0.79 1.82 -0.10 5.38 2.02 0.18 -2.15 117.35 125.29 1jd2 s TYR 111 Ca -0.11 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1jd2 s TYR 111 Cb -0.14 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1jd2 s TYR 111 CO 0.01 -0.01 -0.21 -1.14 -1.57 0.00 0.00 175.55 172.62 1jd2 s GLN 112 N -0.57 3.00 -0.02 -0.62 0.74 -0.55 -0.23 119.66 121.42 1jd2 s GLN 112 Ca 0.08 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 54.66 1jd2 s GLN 112 Cb -0.08 -2.35 0.02 0.00 1.10 0.00 0.00 33.01 31.70 1jd2 s GLN 112 CO -0.00 0.25 0.02 0.42 -0.55 0.00 0.00 175.29 175.43 1jd2 s ILE 113 N 0.19 -0.04 0.55 -2.34 1.01 -1.02 -1.49 121.20 118.06 1jd2 s ILE 113 Ca -0.12 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.76 1jd2 s ILE 113 Cb -0.16 -0.06 0.07 0.00 0.01 0.00 0.00 42.46 42.31 1jd2 s ILE 113 CO 0.07 0.06 0.76 1.51 0.00 0.00 0.00 174.94 177.34 1jd2 s ASP 114 N 0.78 5.17 0.32 3.58 3.84 -0.67 -2.00 116.67 127.69 1jd2 s ASP 114 Ca -0.06 -0.63 0.14 0.00 -0.00 0.00 0.00 52.55 51.99 1jd2 s ASP 114 Cb -0.09 -0.06 0.74 0.00 -1.38 0.00 0.00 42.92 42.13 1jd2 s ASP 114 CO -0.02 -1.24 1.32 0.00 -0.00 0.00 0.00 175.17 175.23 1jd2 n TYR 115 N -2.21 0.46 1.07 2.11 0.18 -1.04 -0.61 117.16 117.12 1jd2 n TYR 115 Ca 0.13 0.24 0.11 0.00 1.88 0.00 0.00 57.90 60.27 1jd2 n TYR 115 Cb 0.61 -0.70 0.10 0.00 -0.38 0.00 0.00 39.34 38.97 1jd2 n TYR 115 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1jd2 n LEU 116 N -2.07 1.42 -0.05 -3.48 4.77 -1.26 -4.77 117.00 111.56 1jd2 n LEU 116 Ca -0.01 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1jd2 n LEU 116 Cb 0.30 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1jd2 n LEU 116 CO 0.06 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1jd2 n GLY 117 N 1.42 1.27 3.57 -0.72 0.00 0.22 -4.30 105.19 106.66 1jd2 n GLY 117 Ca 0.09 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1jd2 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jd2 s THR 118 N -2.10 4.97 0.17 2.61 2.01 -1.24 -4.84 115.64 117.22 1jd2 s THR 118 Ca 0.00 0.51 0.09 0.00 0.31 0.00 0.00 61.69 62.60 1jd2 s THR 118 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1jd2 s THR 118 CO 0.00 -0.23 -0.14 -0.75 -0.69 0.00 0.00 174.62 172.82 1jd2 s LYS 119 N 2.52 1.91 -0.27 4.92 2.20 -1.26 -1.67 119.74 128.10 1jd2 s LYS 119 Ca 0.22 -1.31 -0.25 0.00 -0.36 0.00 0.00 55.97 54.26 1jd2 s LYS 119 Cb -0.15 -2.09 0.12 0.00 -1.51 0.00 0.00 37.83 34.20 1jd2 s LYS 119 CO 0.13 0.43 0.99 0.54 -0.36 0.00 0.00 175.35 177.09 1jd2 s VAL 120 N -1.63 0.00 0.01 4.02 0.11 -0.56 -4.99 120.40 117.36 1jd2 s VAL 120 Ca 0.23 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.10 1jd2 s VAL 120 Cb -0.09 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.70 1jd2 s VAL 120 CO 0.13 0.00 0.53 -0.70 -3.33 0.00 0.00 175.10 171.74 1jd2 s GLU 121 N 0.16 4.20 0.09 1.54 2.12 -1.26 -1.48 118.70 124.06 1jd2 s GLU 121 Ca 0.02 0.63 -0.13 0.00 0.36 0.00 0.00 54.97 55.86 1jd2 s GLU 121 Cb -0.05 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1jd2 s GLU 121 CO -0.05 0.49 0.29 -0.51 -0.54 0.00 0.00 175.26 174.95 1jd2 s LEU 122 N -0.56 0.92 0.08 2.70 1.43 -0.91 -5.00 118.68 117.33 1jd2 s LEU 122 Ca 0.28 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1jd2 s LEU 122 Cb -0.18 1.40 -0.10 0.00 0.03 0.00 0.00 46.19 47.34 1jd2 s LEU 122 CO 0.16 -0.74 1.41 -0.65 0.23 0.00 0.00 176.35 176.76 1jd2 h PRO 123 N 2.76 0.54 -3.97 1.29 0.11 -1.90 -3.39 132.00 127.44 1jd2 h PRO 123 Ca -0.33 -0.27 -0.11 0.00 0.11 0.00 0.00 66.00 65.40 1jd2 h PRO 123 Cb 1.22 -0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 1jd2 h PRO 123 CO 0.50 0.84 -0.52 1.52 -0.21 0.00 0.00 178.00 180.13 1jd2 s TYR 124 N -4.44 0.30 0.28 0.65 1.13 -1.26 0.90 117.35 114.91 1jd2 s TYR 124 Ca -0.13 -0.75 -0.20 0.00 -1.41 0.00 0.00 57.07 54.58 1jd2 s TYR 124 Cb 0.07 -0.20 0.06 0.00 -1.10 0.00 0.00 41.96 40.79 1jd2 s TYR 124 CO 0.79 -0.44 0.88 0.20 -2.51 0.00 0.00 175.55 174.47 1jd2 s GLY 125 N -2.73 0.14 0.20 5.49 0.00 -0.24 -4.97 107.32 105.20 1jd2 s GLY 125 Ca 0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 44.09 1jd2 s GLY 125 CO -0.09 0.59 0.94 0.00 0.00 0.00 0.00 173.10 174.53 1jd2 s ALA 126 N -2.64 -1.51 0.20 3.20 0.00 -1.26 -1.61 121.76 118.14 1jd2 s ALA 126 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1jd2 s ALA 126 Cb -0.04 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 1jd2 s ALA 126 CO 0.08 -1.04 -0.04 -1.01 0.00 0.00 0.00 175.76 173.74 1jd2 s HIS 127 N -3.02 1.47 0.00 0.00 3.76 -1.13 -4.79 115.29 111.58 1jd2 s HIS 127 Ca 0.15 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1jd2 s HIS 127 Cb -0.02 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1jd2 s HIS 127 CO 0.04 0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 1jd2 n GLY 128 N -0.35 0.96 0.20 -2.22 0.00 -1.26 -3.31 105.19 99.22 1jd2 n GLY 128 Ca -0.07 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1jd2 n GLY 128 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jd2 h TYR 129 N 0.00 0.00 -0.81 1.61 0.05 -1.94 -3.30 116.97 112.58 1jd2 h TYR 129 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 1jd2 h TYR 129 Cb 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.59 1jd2 h TYR 129 CO 0.00 0.30 -0.26 0.77 -1.05 0.00 0.00 178.16 177.92 1jd2 h SER 130 N 0.00 -0.96 -1.04 3.88 0.02 -1.90 0.50 113.55 114.05 1jd2 h SER 130 Ca -0.00 0.26 0.27 0.00 -0.84 0.00 0.00 61.79 61.47 1jd2 h SER 130 Cb 0.54 0.57 -0.10 0.00 0.14 0.00 0.00 62.40 63.56 1jd2 h SER 130 CO 0.04 -0.28 0.67 1.23 -1.14 0.00 0.00 176.83 177.34 1jd2 h GLY 131 N -0.03 1.27 0.25 -3.77 0.00 -1.73 -0.68 103.07 98.37 1jd2 h GLY 131 Ca 0.36 -0.21 0.24 0.00 0.00 0.00 0.00 47.33 47.72 1jd2 h GLY 131 CO -0.85 -0.15 0.62 0.74 0.00 0.00 0.00 176.54 176.90 1jd2 h PHE 132 N 0.40 0.20 0.00 5.60 0.04 -0.22 -0.53 116.94 122.43 1jd2 h PHE 132 Ca 0.60 0.01 -0.37 0.00 2.80 0.00 0.00 57.97 61.01 1jd2 h PHE 132 Cb 1.51 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 39.54 1jd2 h PHE 132 CO -0.00 0.04 -2.41 0.66 -0.60 0.00 0.00 178.31 176.00 1jd2 n TYR 133 N -4.36 0.00 0.01 -0.55 4.01 -0.29 -4.69 117.16 111.28 1jd2 n TYR 133 Ca 0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.75 1jd2 n TYR 133 Cb 0.87 -0.97 -0.11 0.00 -0.31 0.00 0.00 39.34 38.81 1jd2 n TYR 133 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1jd2 h THR 134 N 0.00 1.44 -0.77 -0.72 1.35 -1.20 -3.37 112.91 109.65 1jd2 h THR 134 Ca -0.55 -2.12 0.18 0.00 -0.55 0.00 0.00 66.41 63.36 1jd2 h THR 134 Cb 1.99 2.67 -0.13 0.00 -1.73 0.00 0.00 68.15 70.94 1jd2 h THR 134 CO -0.05 0.61 0.01 -0.26 -0.25 0.00 0.00 175.52 175.58 1jd2 h PHE 135 N -0.14 -0.05 -0.58 4.73 -1.00 -1.36 0.18 116.94 118.72 1jd2 h PHE 135 Ca -0.08 0.06 0.11 0.00 2.81 0.00 0.00 57.97 60.87 1jd2 h PHE 135 Cb 1.34 0.14 -0.09 0.00 3.61 0.00 0.00 35.95 40.96 1jd2 h PHE 135 CO 0.15 -0.25 0.09 0.66 -1.61 0.00 0.00 178.31 177.35 1jd2 h SER 136 N 0.10 -0.07 -0.23 2.17 4.64 -1.81 0.88 113.55 119.23 1jd2 h SER 136 Ca 0.42 0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.87 1jd2 h SER 136 Cb 0.75 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1jd2 h SER 136 CO -0.68 -0.02 0.11 -0.07 -0.87 0.00 0.00 176.83 175.30 1jd2 h LEU 137 N 0.21 0.17 0.14 5.97 3.38 -0.87 -1.05 115.31 123.26 1jd2 h LEU 137 Ca 0.30 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1jd2 h LEU 137 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1jd2 h LEU 137 CO -0.42 0.13 -0.07 -0.07 0.09 0.00 0.00 178.44 178.11 1jd2 h LEU 138 N 0.24 -0.16 -0.98 1.67 3.38 0.09 0.30 115.31 119.85 1jd2 h LEU 138 Ca 0.09 -0.23 0.31 0.00 0.09 0.00 0.00 57.88 58.14 1jd2 h LEU 138 Cb 0.02 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 40.66 1jd2 h LEU 138 CO -0.06 0.15 0.51 0.44 0.09 0.00 0.00 178.44 179.57 1jd2 h ASP 139 N -0.49 0.42 0.00 -0.43 5.19 0.83 0.16 116.42 122.09 1jd2 h ASP 139 Ca -0.02 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1jd2 h ASP 139 Cb 0.39 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1jd2 h ASP 139 CO 0.03 -0.15 0.00 1.57 -3.12 0.00 0.00 179.24 177.57 1jd2 n HIS 140 N -5.09 0.00 1.09 4.55 -0.00 -0.41 -4.37 115.22 110.99 1jd2 n HIS 140 Ca 0.30 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.49 1jd2 n HIS 140 Cb 0.94 -0.29 0.03 0.00 -0.12 0.00 0.00 29.99 30.55 1jd2 n HIS 140 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1jd2 n HIS 141 N -1.36 0.12 -3.90 1.57 8.25 0.10 -4.91 115.22 115.10 1jd2 n HIS 141 Ca 0.00 -0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 1jd2 n HIS 141 Cb 0.00 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 30.97 1jd2 n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jd2 s TYR 142 N -1.29 3.52 -0.15 4.41 5.04 0.01 -4.98 117.35 123.91 1jd2 s TYR 142 Ca 0.03 0.28 -0.12 0.00 -2.44 0.00 0.00 57.07 54.83 1jd2 s TYR 142 Cb 0.02 -1.79 0.04 0.00 0.35 0.00 0.00 41.96 40.59 1jd2 s TYR 142 CO 0.01 0.58 0.38 1.03 -1.34 0.00 0.00 175.55 176.21 1jd2 s ARG 143 N -2.48 0.42 0.25 4.97 1.81 -1.26 -5.00 118.95 117.66 1jd2 s ARG 143 Ca 0.35 0.58 -0.05 0.00 -1.72 0.00 0.00 55.73 54.90 1jd2 s ARG 143 Cb -0.13 0.14 0.35 0.00 -0.45 0.00 0.00 34.95 34.87 1jd2 s ARG 143 CO 0.27 -0.08 1.85 -1.35 -0.68 0.00 0.00 175.30 175.31 1jd2 h PRO 144 N 5.98 0.96 -1.09 3.54 0.11 -1.95 -2.94 132.00 136.61 1jd2 h PRO 144 Ca -0.30 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1jd2 h PRO 144 Cb 1.18 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1jd2 h PRO 144 CO 0.28 0.64 0.11 -0.40 -0.21 0.00 0.00 178.00 178.42 1jd2 n ASP 145 N -4.61 3.41 -4.76 -2.05 3.85 -1.26 -3.13 116.55 108.00 1jd2 n ASP 145 Ca 0.13 -2.30 -0.40 0.00 -0.71 0.00 0.00 54.79 51.50 1jd2 n ASP 145 Cb 0.19 -0.62 -0.03 0.00 -1.35 0.00 0.00 41.12 39.31 1jd2 n ASP 145 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1jd2 s MET 146 N -0.55 4.50 0.74 0.11 -1.94 -1.11 -4.81 119.30 116.24 1jd2 s MET 146 Ca 0.09 1.93 -0.11 0.00 -1.71 0.00 0.00 55.69 55.89 1jd2 s MET 146 Cb 0.08 -3.10 0.03 0.00 2.01 0.00 0.00 34.83 33.85 1jd2 s MET 146 CO 0.02 0.05 1.10 0.95 -0.01 0.00 0.00 175.02 177.12 1jd2 s THR 147 N -1.18 3.27 0.16 2.05 -4.23 -1.26 -2.63 115.64 111.81 1jd2 s THR 147 Ca 0.47 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 1jd2 s THR 147 Cb -0.34 -3.34 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1jd2 s THR 147 CO 0.44 -0.54 1.79 0.74 -0.54 0.00 0.00 174.62 176.51 1jd2 h THR 148 N -0.80 1.14 -0.65 3.99 2.02 -1.97 -2.02 112.91 114.62 1jd2 h THR 148 Ca -0.46 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1jd2 h THR 148 Cb 1.26 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1jd2 h THR 148 CO 0.63 0.14 0.33 -0.08 0.37 0.00 0.00 175.52 176.91 1jd2 h GLU 149 N 0.60 0.57 -0.57 6.66 4.57 -2.00 0.11 114.58 124.52 1jd2 h GLU 149 Ca 0.16 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1jd2 h GLU 149 Cb -0.00 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1jd2 h GLU 149 CO -0.03 0.38 0.38 0.93 -1.18 0.00 0.00 179.01 179.49 1jd2 h GLU 150 N 0.59 0.37 -0.12 1.92 5.08 -1.74 -2.02 114.58 118.66 1jd2 h GLU 150 Ca 0.30 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1jd2 h GLU 150 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jd2 h GLU 150 CO -0.22 0.24 -0.24 0.78 -1.00 0.00 0.00 179.01 178.57 1jd2 h GLY 151 N 0.38 0.41 1.40 -3.84 0.00 -0.34 -2.57 103.07 98.50 1jd2 h GLY 151 Ca 0.26 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1jd2 h GLY 151 CO -0.07 0.43 0.32 1.41 0.00 0.00 0.00 176.54 178.63 1jd2 h LEU 152 N -0.05 0.44 -0.55 3.11 3.38 -0.68 -0.43 115.31 120.53 1jd2 h LEU 152 Ca 0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1jd2 h LEU 152 Cb 0.83 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1jd2 h LEU 152 CO 0.05 0.30 -0.16 0.44 0.09 0.00 0.00 178.44 179.17 1jd2 h ASP 153 N 0.51 1.02 -0.44 -0.43 3.45 -1.35 -1.47 116.42 117.71 1jd2 h ASP 153 Ca 0.20 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 1jd2 h ASP 153 Cb 0.14 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1jd2 h ASP 153 CO -0.05 1.15 0.23 0.25 -1.57 0.00 0.00 179.24 179.25 1jd2 h LEU 154 N 0.88 0.56 -0.62 1.55 5.85 -0.78 0.78 115.31 123.53 1jd2 h LEU 154 Ca 0.13 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1jd2 h LEU 154 Cb 0.73 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1jd2 h LEU 154 CO 0.06 0.50 0.34 -0.07 -0.34 0.00 0.00 178.44 178.93 1jd2 h LEU 155 N 0.57 0.77 -0.19 2.25 3.38 -1.00 -0.37 115.31 120.72 1jd2 h LEU 155 Ca 0.15 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1jd2 h LEU 155 Cb 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1jd2 h LEU 155 CO -0.02 0.64 -0.10 0.50 0.09 0.00 0.00 178.44 179.55 1jd2 h LYS 156 N 0.84 -0.08 -0.86 1.13 3.64 -0.67 0.35 116.57 120.92 1jd2 h LYS 156 Ca 0.22 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 1jd2 h LYS 156 Cb 0.04 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 1jd2 h LYS 156 CO -0.03 -0.05 0.47 1.25 -2.27 0.00 0.00 179.45 178.81 1jd2 h LEU 157 N -0.08 0.62 0.49 5.20 5.85 -0.14 0.48 115.31 127.74 1jd2 h LEU 157 Ca 0.10 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1jd2 h LEU 157 Cb 0.24 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1jd2 h LEU 157 CO -0.24 0.31 -0.24 0.00 -0.34 0.00 0.00 178.44 177.93 1jd2 h VAL 159 N -0.67 0.34 -0.13 0.00 2.07 0.03 0.12 116.25 118.01 1jd2 h VAL 159 Ca -0.07 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1jd2 h VAL 159 Cb 0.51 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1jd2 h VAL 159 CO 0.11 0.05 -0.17 1.56 0.02 0.00 0.00 177.57 179.15 1jd2 h GLN 160 N 0.30 -0.20 0.03 1.57 4.20 -0.71 0.45 115.11 120.75 1jd2 h GLN 160 Ca 0.63 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.37 1jd2 h GLN 160 Cb 1.32 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1jd2 h GLN 160 CO -0.61 -0.13 -0.16 1.49 -0.67 0.00 0.00 178.83 178.74 1jd2 h GLU 161 N -0.21 -0.27 -0.54 1.46 4.57 -0.36 0.45 114.58 119.68 1jd2 h GLU 161 Ca 0.10 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.38 1jd2 h GLU 161 Cb 0.35 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.93 1jd2 h GLU 161 CO -0.25 -0.18 0.17 -0.07 -1.18 0.00 0.00 179.01 177.50 1jd2 h LEU 162 N -0.28 0.13 -1.74 1.64 3.38 -0.65 0.28 115.31 118.07 1jd2 h LEU 162 Ca 0.04 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1jd2 h LEU 162 Cb 0.33 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jd2 h LEU 162 CO -0.13 0.09 0.19 -0.33 0.09 0.00 0.00 178.44 178.35 1jd2 h GLU 163 N 0.33 0.34 -0.01 1.13 5.08 0.74 -0.65 114.58 121.54 1jd2 h GLU 163 Ca 0.27 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1jd2 h GLU 163 Cb 0.33 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jd2 h GLU 163 CO -0.30 0.22 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.64 1jd2 h LYS 164 N 0.35 0.08 -0.31 2.33 3.64 0.16 -3.39 116.57 119.43 1jd2 h LYS 164 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jd2 h LYS 164 Cb 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1jd2 h LYS 164 CO -0.02 0.73 0.00 0.54 -2.27 0.00 0.00 179.45 178.43 1jd2 n ARG 165 N -4.68 2.17 -3.68 1.90 5.12 0.32 -5.00 116.66 112.80 1jd2 n ARG 165 Ca -0.09 -1.97 -0.37 0.00 -1.93 0.00 0.00 57.85 53.49 1jd2 n ARG 165 Cb 0.37 -1.37 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 1jd2 n ARG 165 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1jd2 s MET 166 N -1.17 3.91 0.24 5.56 1.75 -0.26 -5.01 119.30 124.32 1jd2 s MET 166 Ca 0.28 -0.35 -0.15 0.00 -1.25 0.00 0.00 55.69 54.22 1jd2 s MET 166 Cb 0.16 -3.51 0.29 0.00 2.84 0.00 0.00 34.83 34.61 1jd2 s MET 166 CO 0.23 -0.09 1.55 -1.35 -0.65 0.00 0.00 175.02 174.71 1jd2 h PRO 167 N 7.99 -0.00 -6.36 4.11 0.11 -1.95 -3.41 132.00 132.50 1jd2 h PRO 167 Ca -0.37 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.19 1jd2 h PRO 167 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1jd2 h PRO 167 CO 0.59 -0.00 -0.04 -1.64 -0.21 0.00 0.00 178.00 176.70 1jd2 s MET 168 N -6.03 4.07 -0.28 1.05 -1.94 -1.26 -5.05 119.30 109.86 1jd2 s MET 168 Ca -0.14 0.61 -0.23 0.00 -1.71 0.00 0.00 55.69 54.22 1jd2 s MET 168 Cb 0.22 -2.97 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 1jd2 s MET 168 CO 0.73 0.49 0.74 0.34 -0.01 0.00 0.00 175.02 177.31 1jd2 s ASP 169 N -1.60 6.66 -0.10 3.03 2.15 -1.26 -4.94 116.67 120.60 1jd2 s ASP 169 Ca 0.37 0.71 0.19 0.00 0.43 0.00 0.00 52.55 54.25 1jd2 s ASP 169 Cb -0.16 -2.39 0.70 0.00 -0.30 0.00 0.00 42.92 40.77 1jd2 s ASP 169 CO 0.19 -0.53 1.60 2.22 -0.17 0.00 0.00 175.17 178.49 1jd2 n PHE 170 N 6.02 1.38 -3.26 -5.34 1.16 -1.26 -4.96 117.46 111.20 1jd2 n PHE 170 Ca 0.03 -0.60 -0.22 0.00 -1.87 0.00 0.00 57.45 54.78 1jd2 n PHE 170 Cb 0.48 -0.21 0.00 0.00 -1.61 0.00 0.00 39.48 38.14 1jd2 n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1jd2 n LYS 171 N 1.12 -3.62 -0.01 3.97 4.76 -1.26 -2.63 118.16 120.49 1jd2 n LYS 171 Ca 0.25 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 1jd2 n LYS 171 Cb 0.85 -5.29 -0.00 0.00 -1.84 0.00 0.00 35.03 28.75 1jd2 n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jd2 n GLY 172 N -1.22 -2.26 3.63 0.72 0.00 -1.26 -4.40 105.19 100.39 1jd2 n GLY 172 Ca -0.04 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1jd2 n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jd2 s VAL 173 N -0.97 1.03 -0.08 1.61 -7.23 -1.26 -0.35 120.40 113.15 1jd2 s VAL 173 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1jd2 s VAL 173 Cb 0.00 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1jd2 s VAL 173 CO 0.00 0.00 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.03 1jd2 s ILE 174 N -3.02 1.21 0.09 -0.62 1.01 -0.46 -4.80 121.20 114.60 1jd2 s ILE 174 Ca 0.18 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1jd2 s ILE 174 Cb 0.03 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 1jd2 s ILE 174 CO 0.10 0.37 -0.10 -0.69 0.00 0.00 0.00 174.94 174.62 1jd2 s VAL 175 N 0.76 3.35 -0.03 2.92 1.01 -1.26 -1.83 120.40 125.33 1jd2 s VAL 175 Ca -0.12 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.58 1jd2 s VAL 175 Cb -0.16 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1jd2 s VAL 175 CO 0.03 0.15 0.12 -0.54 0.00 0.00 0.00 175.10 174.85 1jd2 s LYS 176 N -2.10 0.27 -0.06 2.72 1.02 -0.36 -2.79 119.74 118.44 1jd2 s LYS 176 Ca 0.21 -0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.16 1jd2 s LYS 176 Cb -0.11 0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1jd2 s LYS 176 CO 0.13 -0.05 -0.18 0.42 -0.92 0.00 0.00 175.35 174.75 1jd2 s ILE 177 N -0.53 2.72 -0.21 2.17 1.01 -0.63 -1.66 121.20 124.06 1jd2 s ILE 177 Ca -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1jd2 s ILE 177 Cb -0.04 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1jd2 s ILE 177 CO 0.01 0.57 -0.08 -0.69 0.00 0.00 0.00 174.94 174.75 1jd2 s VAL 178 N -0.38 3.03 0.35 2.92 1.01 -0.25 -2.52 120.40 124.57 1jd2 s VAL 178 Ca 0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1jd2 s VAL 178 Cb -0.12 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1jd2 s VAL 178 CO 0.02 0.43 0.49 1.51 0.00 0.00 0.00 175.10 177.55 1jd2 s ASP 179 N 1.42 0.96 0.40 3.32 -4.77 -0.17 -2.17 116.67 115.66 1jd2 s ASP 179 Ca 0.05 -1.50 0.22 0.00 -3.30 0.00 0.00 52.55 48.02 1jd2 s ASP 179 Cb -0.14 0.68 1.24 0.00 -1.09 0.00 0.00 42.92 43.61 1jd2 s ASP 179 CO -0.06 -1.33 1.67 0.07 0.70 0.00 0.00 175.17 176.23 1jd2 h LYS 180 N 2.09 0.23 -0.07 2.11 2.10 -1.95 1.25 116.57 122.33 1jd2 h LYS 180 Ca -0.28 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1jd2 h LYS 180 Cb 1.24 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1jd2 h LYS 180 CO 0.39 0.15 0.00 -0.25 -2.00 0.00 0.00 179.45 177.74 1jd2 n ASP 181 N -4.80 0.52 0.00 7.07 8.00 -1.26 -5.00 116.55 121.07 1jd2 n ASP 181 Ca 0.32 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1jd2 n ASP 181 Cb 1.15 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1jd2 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jd2 n GLY 183 N 0.79 0.66 2.94 0.44 0.00 0.43 -4.98 105.19 105.47 1jd2 n GLY 183 Ca 0.10 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 1jd2 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jd2 s ILE 184 N 0.00 0.69 0.02 -0.61 1.01 -1.26 -1.00 121.20 120.04 1jd2 s ILE 184 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1jd2 s ILE 184 Cb 0.00 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1jd2 s ILE 184 CO 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 174.94 175.16 1jd2 s ARG 185 N 0.67 0.25 -0.21 2.79 1.70 -1.05 -5.02 118.95 118.08 1jd2 s ARG 185 Ca -0.10 -0.43 -0.08 0.00 -0.47 0.00 0.00 55.73 54.65 1jd2 s ARG 185 Cb -0.13 0.00 -0.04 0.00 -0.57 0.00 0.00 34.95 34.21 1jd2 s ARG 185 CO 0.01 -0.01 0.09 -1.14 -1.08 0.00 0.00 175.30 173.17 1jd2 s GLN 186 N -0.98 3.92 -0.67 3.89 0.74 -1.26 -1.60 119.66 123.69 1jd2 s GLN 186 Ca -0.10 -0.36 -0.27 0.00 0.05 0.00 0.00 55.36 54.68 1jd2 s GLN 186 Cb -0.07 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1jd2 s GLN 186 CO -0.01 0.10 1.34 0.08 -0.55 0.00 0.00 175.29 176.26 1jd2 s VAL 187 N 0.86 3.74 -1.81 1.34 1.01 -1.12 -4.87 120.40 119.56 1jd2 s VAL 187 Ca 0.05 0.51 0.17 0.00 0.00 0.00 0.00 61.98 62.71 1jd2 s VAL 187 Cb -0.13 -4.72 0.43 0.00 0.00 0.00 0.00 36.38 31.95 1jd2 s VAL 187 CO 0.03 -1.58 1.46 -0.90 0.00 0.00 0.00 175.10 174.10 1jd2 n ASP 188 N 9.58 0.00 -3.91 3.32 3.85 -1.26 -4.39 116.55 123.73 1jd2 n ASP 188 Ca 0.07 -0.35 -0.30 0.00 -0.71 0.00 0.00 54.79 53.51 1jd2 n ASP 188 Cb 0.49 -0.09 -0.14 0.00 -1.35 0.00 0.00 41.12 40.03 1jd2 n ASP 188 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 1jd2 s ASP 189 N -2.19 4.27 0.00 -1.12 -4.77 -1.26 -4.82 116.67 106.78 1jd2 s ASP 189 Ca 0.23 -3.07 0.00 0.00 -3.30 0.00 0.00 52.55 46.41 1jd2 s ASP 189 Cb 0.12 -1.56 0.00 0.00 -1.09 0.00 0.00 42.92 40.39 1jd2 s ASP 189 CO 0.22 -0.22 0.12 0.33 0.70 0.00 0.00 175.17 176.32 1jd2 n PHE 190 N 3.02 0.00 0.46 2.11 -0.00 -1.26 -4.74 117.46 117.06 1jd2 n PHE 190 Ca 0.07 -0.01 0.11 0.00 -0.00 0.00 0.00 57.45 57.62 1jd2 n PHE 190 Cb 0.33 -0.00 0.44 0.00 -0.00 0.00 0.00 39.48 40.24 1jd2 n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1jd2 n GLN 191 N -0.01 0.14 0.00 -4.13 3.00 -1.26 -4.71 117.38 110.41 1jd2 n GLN 191 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1jd2 n GLN 191 Cb 0.24 -1.75 0.00 0.00 0.00 0.00 0.00 30.24 28.74 1jd2 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jd2 n ALA 192 N -1.69 0.00 -0.92 -1.58 0.00 -1.26 -5.18 120.51 109.88 1jd2 n ALA 192 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jd2 n ALA 192 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1jd2 n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44