#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf5 s LEU 2 N 0.00 3.33 0.53 3.17 2.96 -1.26 -4.84 118.68 122.57 1jf5 s LEU 2 Ca 0.00 -0.93 0.24 0.00 -0.22 0.00 0.00 54.13 53.23 1jf5 s LEU 2 Cb 0.00 -2.56 1.39 0.00 0.50 0.00 0.00 46.19 45.52 1jf5 s LEU 2 CO 0.00 -1.74 2.01 -0.07 -1.32 0.00 0.00 176.35 175.24 1jf5 h LEU 3 N 13.26 0.00 0.00 -0.68 3.38 -2.02 0.93 115.31 130.18 1jf5 h LEU 3 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jf5 h LEU 3 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jf5 h LEU 3 CO 1.35 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 179.26 1jf5 n GLU 4 N -4.37 0.44 0.00 1.13 4.71 -1.26 -2.61 120.64 118.68 1jf5 n GLU 4 Ca 0.08 0.06 0.07 0.00 -0.01 0.00 0.00 57.16 57.36 1jf5 n GLU 4 Cb 0.55 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.50 1jf5 n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jf5 n ALA 5 N -1.18 2.90 -2.45 0.62 0.00 0.32 -4.94 120.51 115.78 1jf5 n ALA 5 Ca 0.12 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 1jf5 n ALA 5 Cb 0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1jf5 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jf5 s ILE 6 N -1.61 4.83 0.02 0.00 1.01 -1.07 -3.91 121.20 120.47 1jf5 s ILE 6 Ca 0.14 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1jf5 s ILE 6 Cb 0.12 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1jf5 s ILE 6 CO 0.31 0.38 -0.03 0.12 0.00 0.00 0.00 174.94 175.72 1jf5 s PHE 7 N -0.05 0.26 -0.08 3.97 5.36 0.62 -4.98 117.98 123.07 1jf5 s PHE 7 Ca 0.35 -0.40 -0.30 0.00 -0.96 0.00 0.00 56.93 55.63 1jf5 s PHE 7 Cb -0.19 -0.18 0.11 0.00 -0.34 0.00 0.00 43.02 42.42 1jf5 s PHE 7 CO 0.20 -0.13 0.95 -1.58 -1.46 0.00 0.00 175.22 173.20 1jf5 s HIS 8 N -1.09 -0.34 -0.23 10.12 5.65 -1.26 -1.07 115.29 127.07 1jf5 s HIS 8 Ca -0.11 0.38 -0.18 0.00 0.25 0.00 0.00 55.06 55.40 1jf5 s HIS 8 Cb -0.08 0.50 0.06 0.00 -1.18 0.00 0.00 32.58 31.89 1jf5 s HIS 8 CO -0.01 -0.44 0.59 -1.83 -0.65 0.00 0.00 174.74 172.41 1jf5 s GLU 9 N -2.23 0.66 -0.23 2.88 -1.05 -1.26 -5.04 118.70 112.44 1jf5 s GLU 9 Ca 0.02 0.91 -0.05 0.00 -0.15 0.00 0.00 54.97 55.70 1jf5 s GLU 9 Cb -0.01 0.25 -0.17 0.00 -0.44 0.00 0.00 34.13 33.76 1jf5 s GLU 9 CO -0.04 -0.11 2.70 0.00 0.95 0.00 0.00 175.26 178.77 1jf5 n ALA 10 N 3.26 5.07 -3.00 -0.84 0.00 -1.26 -3.43 120.51 120.32 1jf5 n ALA 10 Ca -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1jf5 n ALA 10 Cb 0.56 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1jf5 n ALA 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jf5 n LYS 11 N 2.89 0.00 0.00 0.00 2.85 -1.23 -4.85 118.16 117.83 1jf5 n LYS 11 Ca 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1jf5 n LYS 11 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1jf5 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jf5 n GLY 12 N 0.00 2.67 0.68 2.58 0.00 -1.26 -1.32 105.19 108.54 1jf5 n GLY 12 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1jf5 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jf5 n SER 13 N 2.30 2.10 -0.00 1.61 7.64 -1.26 -4.25 113.62 121.76 1jf5 n SER 13 Ca 0.00 -1.72 0.05 0.00 1.01 0.00 0.00 58.87 58.22 1jf5 n SER 13 Cb 0.00 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 1jf5 n SER 13 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jf5 n TYR 14 N 0.62 0.00 -3.35 1.43 4.02 -0.46 -4.71 117.16 114.71 1jf5 n TYR 14 Ca 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.01 1jf5 n TYR 14 Cb 0.43 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.67 1jf5 n TYR 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jf5 s ALA 15 N -2.13 -1.40 -0.13 -0.72 0.00 -0.44 0.04 121.76 116.99 1jf5 s ALA 15 Ca 0.04 1.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.98 1jf5 s ALA 15 Cb 0.08 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.52 1jf5 s ALA 15 CO 0.46 -1.20 0.65 1.52 0.00 0.00 0.00 175.76 177.19 1jf5 s TYR 16 N 2.64 -0.66 0.46 0.00 -0.85 -0.84 -3.49 117.35 114.61 1jf5 s TYR 16 Ca 0.12 1.35 -0.20 0.00 -0.52 0.00 0.00 57.07 57.82 1jf5 s TYR 16 Cb -0.15 0.32 -0.10 0.00 0.38 0.00 0.00 41.96 42.41 1jf5 s TYR 16 CO -0.17 -0.49 0.99 -1.25 -1.52 0.00 0.00 175.55 173.12 1jf5 s PRO 17 N -0.54 4.02 0.00 -3.49 0.04 -1.26 0.33 135.00 134.10 1jf5 s PRO 17 Ca -0.07 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1jf5 s PRO 17 Cb -0.02 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1jf5 s PRO 17 CO 0.06 -0.22 0.52 0.44 0.04 0.00 0.00 177.00 177.83 1jf5 n ILE 18 N -0.83 0.00 -3.85 0.56 -5.35 0.50 -4.51 119.36 105.88 1jf5 n ILE 18 Ca 0.08 -0.48 -0.03 0.00 -0.27 0.00 0.00 62.75 62.06 1jf5 n ILE 18 Cb 0.53 1.07 0.01 0.00 -1.74 0.00 0.00 39.64 39.51 1jf5 n ILE 18 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jf5 s SER 19 N -0.64 -0.03 0.42 7.28 1.04 -1.21 -4.96 113.70 115.60 1jf5 s SER 19 Ca 0.04 -0.56 0.15 0.00 0.48 0.00 0.00 55.95 56.06 1jf5 s SER 19 Cb 0.04 0.45 0.93 0.00 0.10 0.00 0.00 66.02 67.54 1jf5 s SER 19 CO 0.08 -0.89 1.93 -0.08 0.98 0.00 0.00 173.24 175.27 1jf5 h GLU 20 N 2.00 0.00 -0.20 4.02 4.81 -1.95 -3.10 114.58 120.16 1jf5 h GLU 20 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1jf5 h GLU 20 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1jf5 h GLU 20 CO 0.33 0.25 0.00 0.25 -0.73 0.00 0.00 179.01 179.11 1jf5 n THR 21 N -4.18 1.42 -4.24 0.32 -2.24 -1.26 -4.61 114.28 99.50 1jf5 n THR 21 Ca -0.02 -1.38 -0.27 0.00 -2.27 0.00 0.00 64.05 60.11 1jf5 n THR 21 Cb 0.31 0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 68.59 1jf5 n THR 21 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jf5 s GLN 22 N -1.68 1.89 -0.18 -0.78 -0.21 -1.17 0.12 119.66 117.64 1jf5 s GLN 22 Ca 0.23 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 1jf5 s GLN 22 Cb 0.17 -1.72 -0.00 0.00 1.00 0.00 0.00 33.01 32.46 1jf5 s GLN 22 CO 0.09 -0.14 -0.11 -1.17 -2.12 0.00 0.00 175.29 171.84 1jf5 s LEU 23 N 1.23 2.65 0.16 2.90 2.96 -0.67 -0.37 118.68 127.54 1jf5 s LEU 23 Ca -0.03 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 1jf5 s LEU 23 Cb -0.14 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 1jf5 s LEU 23 CO -0.04 0.05 0.57 -0.60 -1.32 0.00 0.00 176.35 175.02 1jf5 s ARG 24 N 1.02 4.00 -0.01 1.98 6.06 0.15 -0.79 118.95 131.36 1jf5 s ARG 24 Ca -0.01 0.53 0.00 0.00 -2.50 0.00 0.00 55.73 53.75 1jf5 s ARG 24 Cb -0.15 -2.90 0.01 0.00 0.06 0.00 0.00 34.95 31.98 1jf5 s ARG 24 CO -0.02 0.45 0.01 0.14 -2.50 0.00 0.00 175.30 173.38 1jf5 s VAL 25 N -1.51 -0.00 0.13 7.11 -7.23 -0.32 -1.99 120.40 116.60 1jf5 s VAL 25 Ca 0.39 0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.71 1jf5 s VAL 25 Cb -0.15 -0.04 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 1jf5 s VAL 25 CO 0.19 0.03 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.65 1jf5 s ARG 26 N 0.29 1.31 -0.02 4.82 0.52 0.11 -1.37 118.95 124.61 1jf5 s ARG 26 Ca -0.02 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1jf5 s ARG 26 Cb -0.04 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.81 1jf5 s ARG 26 CO -0.01 0.38 -0.00 -1.17 0.02 0.00 0.00 175.30 174.52 1jf5 s LEU 27 N -2.18 1.38 -0.02 2.53 0.20 0.70 -4.73 118.68 116.57 1jf5 s LEU 27 Ca 0.13 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.93 1jf5 s LEU 27 Cb -0.09 -0.17 -0.04 0.00 -0.43 0.00 0.00 46.19 45.46 1jf5 s LEU 27 CO 0.06 -0.07 0.03 -0.60 -0.29 0.00 0.00 176.35 175.48 1jf5 s ARG 28 N 0.73 2.92 0.22 1.98 3.52 -0.23 -0.09 118.95 128.00 1jf5 s ARG 28 Ca -0.07 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.84 1jf5 s ARG 28 Cb -0.10 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.54 1jf5 s ARG 28 CO -0.01 0.65 0.50 0.00 -0.81 0.00 0.00 175.30 175.63 1jf5 s ALA 29 N -1.09 -0.66 0.31 6.12 0.00 -0.57 -0.28 121.76 125.59 1jf5 s ALA 29 Ca 0.20 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1jf5 s ALA 29 Cb -0.12 0.91 -0.12 0.00 0.00 0.00 0.00 23.12 23.80 1jf5 s ALA 29 CO 0.10 -0.83 1.54 1.17 0.00 0.00 0.00 175.76 177.75 1jf5 n LYS 30 N -0.35 2.62 -1.67 0.00 4.81 -1.25 -0.40 118.16 121.91 1jf5 n LYS 30 Ca -0.07 0.93 -0.47 0.00 -0.87 0.00 0.00 58.31 57.83 1jf5 n LYS 30 Cb 0.62 -2.68 -0.04 0.00 0.02 0.00 0.00 35.03 32.94 1jf5 n LYS 30 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jf5 n LYS 31 N 1.62 2.27 0.00 1.64 4.81 -0.61 -0.91 118.16 126.98 1jf5 n LYS 31 Ca 0.07 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1jf5 n LYS 31 Cb 0.37 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1jf5 n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jf5 n GLY 32 N 4.49 2.37 0.20 3.14 0.00 -1.26 -4.92 105.19 109.20 1jf5 n GLY 32 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 1jf5 n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jf5 h ASP 33 N 0.00 0.28 -3.73 1.61 3.32 -1.38 -3.44 116.42 113.08 1jf5 h ASP 33 Ca 0.00 -0.12 -0.68 0.00 0.02 0.00 0.00 57.03 56.25 1jf5 h ASP 33 Cb 0.00 -0.08 -0.28 0.00 0.22 0.00 0.00 39.33 39.19 1jf5 h ASP 33 CO 0.00 0.68 -0.82 -0.69 -1.72 0.00 0.00 179.24 176.69 1jf5 s VAL 34 N -4.11 2.63 -0.06 -1.35 1.01 -1.26 -4.35 120.40 112.91 1jf5 s VAL 34 Ca -0.05 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1jf5 s VAL 34 Cb 0.13 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.35 1jf5 s VAL 34 CO 0.78 0.56 0.21 1.33 0.00 0.00 0.00 175.10 177.98 1jf5 n VAL 35 N 3.03 0.00 -3.66 2.92 0.24 -0.52 -4.97 118.33 115.36 1jf5 n VAL 35 Ca -0.18 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.34 61.81 1jf5 n VAL 35 Cb 0.52 0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 33.18 1jf5 n VAL 35 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1jf5 s ARG 36 N -2.48 0.26 -0.18 7.34 3.52 -1.09 -5.01 118.95 121.30 1jf5 s ARG 36 Ca -0.02 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 56.51 1jf5 s ARG 36 Cb 0.06 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1jf5 s ARG 36 CO 0.35 -0.26 -0.18 0.00 -0.81 0.00 0.00 175.30 174.40 1jf5 s GLU 38 N 1.31 1.02 -0.09 0.00 2.12 -0.93 0.36 118.70 122.48 1jf5 s GLU 38 Ca 0.03 -1.08 0.04 0.00 0.36 0.00 0.00 54.97 54.32 1jf5 s GLU 38 Cb -0.14 -1.19 -0.01 0.00 0.26 0.00 0.00 34.13 33.05 1jf5 s GLU 38 CO -0.12 0.27 -0.20 0.08 -0.54 0.00 0.00 175.26 174.76 1jf5 s VAL 39 N -1.19 2.49 -0.18 3.70 1.01 0.81 -0.44 120.40 126.59 1jf5 s VAL 39 Ca 0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1jf5 s VAL 39 Cb -0.10 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1jf5 s VAL 39 CO 0.03 0.56 -0.12 -0.76 0.00 0.00 0.00 175.10 174.82 1jf5 s LEU 40 N 0.01 2.62 0.27 3.92 1.43 -0.50 -1.20 118.68 125.23 1jf5 s LEU 40 Ca -0.07 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1jf5 s LEU 40 Cb -0.15 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1jf5 s LEU 40 CO 0.05 0.05 0.27 -0.72 0.23 0.00 0.00 176.35 176.23 1jf5 s TYR 41 N 1.01 1.28 0.17 0.29 -0.85 -0.83 -1.22 117.35 117.19 1jf5 s TYR 41 Ca -0.01 -1.40 -0.23 0.00 -0.52 0.00 0.00 57.07 54.90 1jf5 s TYR 41 Cb -0.15 -0.47 0.07 0.00 0.38 0.00 0.00 41.96 41.79 1jf5 s TYR 41 CO -0.02 -0.83 1.01 0.00 -1.52 0.00 0.00 175.55 174.19 1jf5 s ALA 42 N -3.73 -1.61 0.51 9.51 0.00 -0.82 0.36 121.76 125.97 1jf5 s ALA 42 Ca 0.37 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 1jf5 s ALA 42 Cb 0.04 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 1jf5 s ALA 42 CO 0.18 -1.05 1.22 0.34 0.00 0.00 0.00 175.76 176.45 1jf5 s ASP 43 N -3.19 5.76 0.55 0.00 2.15 -1.26 -1.12 116.67 119.57 1jf5 s ASP 43 Ca 0.17 2.44 0.25 0.00 0.43 0.00 0.00 52.55 55.85 1jf5 s ASP 43 Cb -0.02 -2.61 1.57 0.00 -0.30 0.00 0.00 42.92 41.56 1jf5 s ASP 43 CO 0.04 -1.21 2.17 0.03 -0.17 0.00 0.00 175.17 176.03 1jf5 h ARG 44 N 1.68 0.00 -0.62 4.34 3.08 -1.84 -1.58 114.38 119.45 1jf5 h ARG 44 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1jf5 h ARG 44 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1jf5 h ARG 44 CO 0.58 0.05 0.00 0.66 -1.07 0.00 0.00 179.97 180.19 1jf5 n TYR 45 N -3.97 1.80 -2.30 3.04 4.02 -1.26 -4.97 117.16 113.52 1jf5 n TYR 45 Ca -0.03 -0.67 -0.38 0.00 -0.01 0.00 0.00 57.90 56.81 1jf5 n TYR 45 Cb 0.13 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.05 1jf5 n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jf5 s ALA 46 N -2.31 3.18 0.55 -0.72 0.00 -0.59 -4.97 121.76 116.88 1jf5 s ALA 46 Ca 0.53 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 1jf5 s ALA 46 Cb 0.38 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1jf5 s ALA 46 CO 0.20 -0.51 1.27 0.45 0.00 0.00 0.00 175.76 177.18 1jf5 s SER 47 N -1.10 5.40 0.37 0.00 0.15 -1.26 -4.91 113.70 112.35 1jf5 s SER 47 Ca 0.56 2.56 0.09 0.00 0.70 0.00 0.00 55.95 59.86 1jf5 s SER 47 Cb -0.31 -2.62 0.84 0.00 -1.71 0.00 0.00 66.02 62.22 1jf5 s SER 47 CO 0.39 -1.46 1.92 -0.65 1.20 0.00 0.00 173.24 174.63 1jf5 h PRO 48 N 1.39 0.64 -0.79 5.44 0.11 -2.00 -1.79 132.00 134.99 1jf5 h PRO 48 Ca -0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1jf5 h PRO 48 Cb 1.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1jf5 h PRO 48 CO 0.57 0.42 0.04 -0.85 -0.21 0.00 0.00 178.00 177.97 1jf5 n GLU 49 N -4.51 3.04 -3.32 1.05 -0.00 -1.26 -4.91 120.64 110.72 1jf5 n GLU 49 Ca 0.14 -1.75 -0.31 0.00 -0.00 0.00 0.00 57.16 55.24 1jf5 n GLU 49 Cb 0.38 -1.90 -0.04 0.00 -0.00 0.00 0.00 31.44 29.87 1jf5 n GLU 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1jf5 s GLU 50 N -1.97 3.75 0.04 3.44 2.12 -0.68 -5.04 118.70 120.37 1jf5 s GLU 50 Ca 0.31 0.23 -0.31 0.00 0.36 0.00 0.00 54.97 55.56 1jf5 s GLU 50 Cb 0.24 -2.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.95 1jf5 s GLU 50 CO 0.09 0.24 1.38 -2.00 -0.54 0.00 0.00 175.26 174.42 1jf5 s GLU 51 N -3.17 4.31 0.47 4.30 2.56 -1.26 -5.00 118.70 120.90 1jf5 s GLU 51 Ca 0.47 1.98 -0.20 0.00 0.00 0.00 0.00 54.97 57.22 1jf5 s GLU 51 Cb -0.11 -3.45 -0.09 0.00 2.00 0.00 0.00 34.13 32.48 1jf5 s GLU 51 CO 0.25 -0.50 1.01 -0.51 -0.56 0.00 0.00 175.26 174.96 1jf5 s LEU 52 N 1.84 3.87 0.51 2.70 1.43 -1.26 -4.99 118.68 122.79 1jf5 s LEU 52 Ca 0.64 1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 55.42 1jf5 s LEU 52 Cb -0.33 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.26 1jf5 s LEU 52 CO 0.28 -0.67 1.00 0.00 0.23 0.00 0.00 176.35 177.19 1jf5 s ALA 53 N -2.04 2.98 0.02 4.21 0.00 0.16 -4.85 121.76 122.23 1jf5 s ALA 53 Ca 0.66 0.30 0.08 0.00 0.00 0.00 0.00 51.96 53.00 1jf5 s ALA 53 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1jf5 s ALA 53 CO 0.18 -0.29 -0.23 -1.01 0.00 0.00 0.00 175.76 174.40 1jf5 s HIS 54 N -2.45 2.41 -0.24 0.00 0.09 -1.26 -1.97 115.29 111.87 1jf5 s HIS 54 Ca 0.61 -0.36 -0.05 0.00 -0.00 0.00 0.00 55.06 55.26 1jf5 s HIS 54 Cb -0.12 -1.46 0.12 0.00 -0.00 0.00 0.00 32.58 31.13 1jf5 s HIS 54 CO 0.28 0.11 0.45 0.00 -0.00 0.00 0.00 174.74 175.58 1jf5 s ALA 55 N -0.77 -1.36 0.01 -1.40 0.00 -0.34 -5.00 121.76 112.91 1jf5 s ALA 55 Ca 0.12 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.23 1jf5 s ALA 55 Cb -0.10 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1jf5 s ALA 55 CO 0.02 -1.01 0.93 -1.17 0.00 0.00 0.00 175.76 174.53 1jf5 s LEU 56 N 2.65 4.39 -0.42 0.00 2.96 -1.26 -0.14 118.68 126.86 1jf5 s LEU 56 Ca 0.05 1.61 -0.19 0.00 -0.22 0.00 0.00 54.13 55.38 1jf5 s LEU 56 Cb -0.13 -3.50 0.02 0.00 0.50 0.00 0.00 46.19 43.08 1jf5 s LEU 56 CO -0.15 -0.20 0.56 0.00 -1.32 0.00 0.00 176.35 175.24 1jf5 s ALA 57 N 0.77 3.39 0.65 5.97 0.00 0.16 -4.71 121.76 127.98 1jf5 s ALA 57 Ca 0.49 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1jf5 s ALA 57 Cb -0.21 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1jf5 s ALA 57 CO 0.27 -1.65 1.09 0.20 0.00 0.00 0.00 175.76 175.66 1jf5 s GLY 58 N 1.91 2.09 -0.43 0.00 0.00 -0.39 -4.33 107.32 106.18 1jf5 s GLY 58 Ca 0.19 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 45.08 1jf5 s GLY 58 CO 0.17 0.80 1.32 1.25 0.00 0.00 0.00 173.10 176.64 1jf5 s LYS 59 N -4.18 3.63 0.38 2.90 2.20 -1.26 -1.35 119.74 122.06 1jf5 s LYS 59 Ca 0.65 0.83 0.27 0.00 -0.36 0.00 0.00 55.97 57.36 1jf5 s LYS 59 Cb -0.19 -3.99 1.01 0.00 -1.51 0.00 0.00 37.83 33.15 1jf5 s LYS 59 CO 0.42 -1.50 1.80 0.00 -0.36 0.00 0.00 175.35 175.71 1jf5 h ALA 60 N 10.21 1.00 0.00 3.13 0.00 -1.15 -3.48 119.26 128.98 1jf5 h ALA 60 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jf5 h ALA 60 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jf5 h ALA 60 CO 1.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.76 1jf5 n GLY 61 N 0.36 0.37 3.15 0.00 0.00 -1.19 -4.82 105.19 103.06 1jf5 n GLY 61 Ca 0.02 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1jf5 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jf5 s SER 62 N 0.00 0.05 0.00 1.61 0.01 -1.26 -1.31 113.70 112.80 1jf5 s SER 62 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1jf5 s SER 62 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1jf5 s SER 62 CO 0.00 -0.50 0.00 -0.90 0.41 0.00 0.00 173.24 172.25 1jf5 n ASP 63 N 0.91 1.17 -0.21 2.44 3.85 0.28 -4.72 116.55 120.28 1jf5 n ASP 63 Ca -0.20 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 53.89 1jf5 n ASP 63 Cb 0.58 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 40.47 1jf5 n ASP 63 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1jf5 h GLU 64 N 0.00 0.34 0.00 0.11 4.22 -1.94 -3.35 114.58 113.96 1jf5 h GLU 64 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1jf5 h GLU 64 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1jf5 h GLU 64 CO 0.00 0.22 -0.90 0.54 -2.18 0.00 0.00 179.01 176.69 1jf5 n ARG 65 N -5.06 0.62 -4.49 1.92 1.74 -1.26 -5.03 116.66 105.11 1jf5 n ARG 65 Ca 0.10 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.94 1jf5 n ARG 65 Cb 0.32 -0.95 -0.10 0.00 -1.02 0.00 0.00 32.46 30.71 1jf5 n ARG 65 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jf5 s PHE 66 N -1.84 2.20 0.09 -1.55 0.40 -1.26 -1.57 117.98 114.46 1jf5 s PHE 66 Ca 0.00 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.83 1jf5 s PHE 66 Cb 0.00 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 1jf5 s PHE 66 CO 0.00 0.48 -0.05 -0.51 0.70 0.00 0.00 175.22 175.85 1jf5 s ASP 67 N -3.53 4.74 -0.07 1.36 1.11 0.46 -0.56 116.67 120.18 1jf5 s ASP 67 Ca 0.31 -0.27 0.01 0.00 0.18 0.00 0.00 52.55 52.78 1jf5 s ASP 67 Cb 0.02 -1.04 0.02 0.00 1.07 0.00 0.00 42.92 42.99 1jf5 s ASP 67 CO 0.14 0.18 -0.10 -0.31 1.18 0.00 0.00 175.17 176.27 1jf5 s TYR 68 N -1.26 1.33 0.06 4.23 1.51 -0.42 -1.52 117.35 121.29 1jf5 s TYR 68 Ca 0.23 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1jf5 s TYR 68 Cb -0.11 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1jf5 s TYR 68 CO 0.16 -0.32 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.15 1jf5 s PHE 69 N 0.97 2.84 -0.01 2.71 0.08 0.88 -0.55 117.98 124.90 1jf5 s PHE 69 Ca -0.09 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.88 1jf5 s PHE 69 Cb -0.15 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1jf5 s PHE 69 CO 0.00 0.41 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.51 1jf5 s GLU 70 N -1.91 0.27 0.03 0.44 2.12 -0.45 -0.21 118.70 118.98 1jf5 s GLU 70 Ca 0.20 -0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 1jf5 s GLU 70 Cb -0.11 -0.28 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 1jf5 s GLU 70 CO 0.12 0.04 -0.02 0.00 -0.54 0.00 0.00 175.26 174.86 1jf5 s ALA 71 N 0.07 0.25 -0.26 6.30 0.00 -0.47 -1.26 121.76 126.40 1jf5 s ALA 71 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1jf5 s ALA 71 Cb -0.03 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1jf5 s ALA 71 CO -0.00 -0.25 -0.09 -1.17 0.00 0.00 0.00 175.76 174.25 1jf5 s LEU 72 N -2.04 3.33 -0.15 0.00 2.96 -1.26 -1.17 118.68 120.35 1jf5 s LEU 72 Ca -0.07 -1.16 -0.19 0.00 -0.22 0.00 0.00 54.13 52.49 1jf5 s LEU 72 Cb -0.03 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1jf5 s LEU 72 CO -0.05 -0.17 0.54 -0.76 -1.32 0.00 0.00 176.35 174.60 1jf5 s LEU 73 N 1.21 4.22 -0.33 -0.68 1.02 0.03 -4.94 118.68 119.21 1jf5 s LEU 73 Ca -0.04 0.82 -0.24 0.00 0.02 0.00 0.00 54.13 54.68 1jf5 s LEU 73 Cb -0.18 -2.77 0.01 0.00 0.02 0.00 0.00 46.19 43.26 1jf5 s LEU 73 CO -0.05 -0.11 0.84 -1.61 0.02 0.00 0.00 176.35 175.44 1jf5 s GLU 74 N 1.18 3.91 -0.64 1.70 0.41 -1.26 -1.67 118.70 122.33 1jf5 s GLU 74 Ca 0.27 0.58 0.05 0.00 -0.41 0.00 0.00 54.97 55.46 1jf5 s GLU 74 Cb -0.16 -3.76 0.17 0.00 -1.78 0.00 0.00 34.13 28.61 1jf5 s GLU 74 CO 0.11 -0.78 0.47 0.00 -0.49 0.00 0.00 175.26 174.57 1jf5 h SER 76 N 5.37 0.21 0.89 0.00 4.64 -1.92 -0.82 113.55 121.92 1jf5 h SER 76 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1jf5 h SER 76 Cb 0.78 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1jf5 h SER 76 CO 0.64 0.16 -0.02 0.35 -0.87 0.00 0.00 176.83 177.09 1jf5 n THR 77 N -4.50 0.00 -1.13 2.95 -2.24 -1.26 -4.90 114.28 103.19 1jf5 n THR 77 Ca -0.00 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1jf5 n THR 77 Cb 0.08 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 1jf5 n THR 77 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jf5 n LYS 78 N -1.45 -1.08 -3.92 -0.78 5.02 -0.31 -4.96 118.16 110.68 1jf5 n LYS 78 Ca 0.08 0.53 -0.16 0.00 -2.02 0.00 0.00 58.31 56.75 1jf5 n LYS 78 Cb 0.32 -4.47 -0.16 0.00 -0.02 0.00 0.00 35.03 30.70 1jf5 n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jf5 s ARG 79 N -1.86 0.22 -0.07 1.97 0.52 -1.26 -1.61 118.95 116.85 1jf5 s ARG 79 Ca 0.00 0.05 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 1jf5 s ARG 79 Cb 0.00 -0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.13 1jf5 s ARG 79 CO 0.00 -0.09 0.36 0.54 0.02 0.00 0.00 175.30 176.13 1jf5 s VAL 80 N 0.75 0.03 0.06 3.52 0.11 -1.17 -3.70 120.40 119.99 1jf5 s VAL 80 Ca -0.07 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 58.81 1jf5 s VAL 80 Cb -0.10 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1jf5 s VAL 80 CO -0.01 -0.13 -0.22 -1.59 -3.33 0.00 0.00 175.10 169.81 1jf5 s LYS 81 N -0.66 1.42 0.07 1.54 -2.85 -0.27 -0.91 119.74 118.08 1jf5 s LYS 81 Ca -0.08 -1.02 -0.19 0.00 -1.00 0.00 0.00 55.97 53.69 1jf5 s LYS 81 Cb -0.04 -1.59 0.04 0.00 -2.06 0.00 0.00 37.83 34.19 1jf5 s LYS 81 CO 0.03 0.40 0.44 1.52 0.10 0.00 0.00 175.35 177.84 1jf5 s TYR 82 N -0.86 -0.30 0.01 1.78 -0.85 0.47 -1.94 117.35 115.65 1jf5 s TYR 82 Ca 0.08 0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.85 1jf5 s TYR 82 Cb -0.09 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.51 1jf5 s TYR 82 CO 0.02 -0.63 -0.05 0.54 -1.52 0.00 0.00 175.55 173.92 1jf5 s VAL 83 N -2.85 0.34 -0.01 -3.49 0.11 -0.36 0.01 120.40 114.15 1jf5 s VAL 83 Ca -0.03 -0.35 -0.17 0.00 -2.93 0.00 0.00 61.98 58.50 1jf5 s VAL 83 Cb -0.00 -0.32 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 1jf5 s VAL 83 CO -0.05 -0.01 0.49 -0.36 -3.33 0.00 0.00 175.10 171.84 1jf5 s PHE 84 N -0.36 3.69 -0.37 1.54 0.40 0.80 -1.41 117.98 122.28 1jf5 s PHE 84 Ca -0.01 1.06 -0.03 0.00 -0.60 0.00 0.00 56.93 57.35 1jf5 s PHE 84 Cb -0.03 -2.45 0.08 0.00 0.51 0.00 0.00 43.02 41.13 1jf5 s PHE 84 CO -0.00 0.48 0.14 -1.17 0.70 0.00 0.00 175.22 175.36 1jf5 s LEU 85 N -0.56 4.74 -0.18 -0.37 2.96 0.41 0.10 118.68 125.78 1jf5 s LEU 85 Ca 0.26 -1.66 -0.08 0.00 -0.22 0.00 0.00 54.13 52.43 1jf5 s LEU 85 Cb -0.17 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1jf5 s LEU 85 CO 0.14 -0.43 0.10 -0.76 -1.32 0.00 0.00 176.35 174.08 1jf5 s LEU 86 N 1.23 4.04 -0.16 -0.68 1.43 0.14 -2.20 118.68 122.48 1jf5 s LEU 86 Ca 0.03 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1jf5 s LEU 86 Cb -0.22 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1jf5 s LEU 86 CO -0.02 0.22 -0.09 -0.89 0.23 0.00 0.00 176.35 175.79 1jf5 s THR 87 N 0.13 3.23 0.72 5.49 2.01 0.54 -1.37 115.64 126.38 1jf5 s THR 87 Ca 0.07 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1jf5 s THR 87 Cb -0.12 -2.40 0.13 0.00 0.01 0.00 0.00 72.50 70.13 1jf5 s THR 87 CO -0.00 0.49 0.98 -0.83 -0.69 0.00 0.00 174.62 174.57 1jf5 s GLY 88 N 0.72 1.75 0.25 4.40 0.00 -0.84 -1.45 107.32 112.16 1jf5 s GLY 88 Ca -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 1jf5 s GLY 88 CO 0.02 -1.27 1.78 -2.55 0.00 0.00 0.00 173.10 171.08 1jf5 h PRO 89 N -0.48 0.66 -0.87 2.90 0.11 -1.86 -1.20 132.00 131.27 1jf5 h PRO 89 Ca -0.34 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1jf5 h PRO 89 Cb 1.27 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1jf5 h PRO 89 CO 0.39 0.44 0.08 1.04 -0.21 0.00 0.00 178.00 179.74 1jf5 n GLN 90 N -4.82 2.42 -0.95 1.05 6.02 -1.26 -4.88 117.38 114.96 1jf5 n GLN 90 Ca 0.15 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 1jf5 n GLN 90 Cb 0.36 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1jf5 n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jf5 n GLY 91 N 0.14 0.46 3.75 1.08 0.00 -0.45 -5.00 105.19 105.18 1jf5 n GLY 91 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1jf5 n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jf5 s GLU 92 N -0.51 4.20 -0.29 1.61 1.03 -1.26 -4.76 118.70 118.72 1jf5 s GLU 92 Ca 0.00 2.44 -0.09 0.00 0.03 0.00 0.00 54.97 57.35 1jf5 s GLU 92 Cb 0.00 -3.05 -0.01 0.00 -0.80 0.00 0.00 34.13 30.26 1jf5 s GLU 92 CO 0.00 -0.50 0.13 0.00 -1.33 0.00 0.00 175.26 173.56 1jf5 s ALA 93 N -0.27 3.25 -0.11 -0.84 0.00 -1.26 -1.98 121.76 120.56 1jf5 s ALA 93 Ca 0.59 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1jf5 s ALA 93 Cb -0.45 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.39 1jf5 s ALA 93 CO 0.49 -0.79 -0.17 0.08 0.00 0.00 0.00 175.76 175.37 1jf5 s VAL 94 N 1.61 1.62 0.11 0.00 1.01 -0.47 -4.65 120.40 119.62 1jf5 s VAL 94 Ca 0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1jf5 s VAL 94 Cb -0.17 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 1jf5 s VAL 94 CO 0.06 0.46 0.48 -0.31 0.00 0.00 0.00 175.10 175.79 1jf5 s TYR 95 N 0.86 3.62 -0.10 5.22 1.51 -0.34 -0.68 117.35 127.44 1jf5 s TYR 95 Ca -0.09 0.96 -0.01 0.00 -1.01 0.00 0.00 57.07 56.93 1jf5 s TYR 95 Cb -0.15 -2.29 0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1jf5 s TYR 95 CO 0.00 0.49 -0.06 0.12 -1.11 0.00 0.00 175.55 174.99 1jf5 s PHE 96 N -1.39 1.24 0.27 2.71 5.99 0.11 -1.71 117.98 125.21 1jf5 s PHE 96 Ca 0.34 -0.56 0.02 0.00 0.00 0.00 0.00 56.93 56.73 1jf5 s PHE 96 Cb -0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 43.02 41.77 1jf5 s PHE 96 CO 0.18 -0.45 0.32 0.41 -0.00 0.00 0.00 175.22 175.69 1jf5 n GLY 97 N 4.94 2.65 0.37 13.12 0.00 -0.83 -0.14 105.19 125.31 1jf5 n GLY 97 Ca -0.12 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.32 1jf5 n GLY 97 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jf5 h GLU 98 N 0.00 0.78 -0.52 1.61 4.81 -1.68 -1.29 114.58 118.30 1jf5 h GLU 98 Ca -0.21 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1jf5 h GLU 98 Cb 0.96 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1jf5 h GLU 98 CO 0.29 0.52 0.01 1.15 -0.73 0.00 0.00 179.01 180.25 1jf5 h THR 99 N 0.81 1.25 0.00 0.32 2.02 -1.59 -3.49 112.91 112.23 1jf5 h THR 99 Ca 0.47 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1jf5 h THR 99 Cb 0.64 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1jf5 h THR 99 CO -0.24 0.37 0.00 0.61 0.37 0.00 0.00 175.52 176.63 1jf5 n GLY 100 N -0.61 0.53 3.89 2.16 0.00 -0.49 -5.01 105.19 105.66 1jf5 n GLY 100 Ca 0.03 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1jf5 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jf5 s PHE 101 N -3.59 3.48 -0.21 1.61 0.40 -1.26 -1.96 117.98 116.46 1jf5 s PHE 101 Ca 0.00 0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.29 1jf5 s PHE 101 Cb 0.00 -1.76 0.15 0.00 0.51 0.00 0.00 43.02 41.92 1jf5 s PHE 101 CO 0.00 0.60 1.14 0.45 0.70 0.00 0.00 175.22 178.11 1jf5 s SER 102 N -2.26 -0.23 0.43 1.36 0.15 -0.69 -4.84 113.70 107.60 1jf5 s SER 102 Ca 0.31 0.24 0.29 0.00 0.70 0.00 0.00 55.95 57.50 1jf5 s SER 102 Cb -0.13 0.19 1.13 0.00 -1.71 0.00 0.00 66.02 65.50 1jf5 s SER 102 CO 0.23 -0.22 1.85 0.00 1.20 0.00 0.00 173.24 176.30 1jf5 h ALA 103 N 2.34 1.00 -3.24 5.45 0.00 -1.87 -0.88 119.26 122.06 1jf5 h ALA 103 Ca -0.14 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.15 1jf5 h ALA 103 Cb 1.17 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 1jf5 h ALA 103 CO 0.27 0.00 -0.57 -1.21 0.00 0.00 0.00 179.25 177.74 1jf5 s GLU 104 N -3.48 3.94 0.12 0.00 2.02 -1.26 -4.73 118.70 115.30 1jf5 s GLU 104 Ca 0.03 -0.36 -0.27 0.00 0.02 0.00 0.00 54.97 54.40 1jf5 s GLU 104 Cb 0.09 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 1jf5 s GLU 104 CO 0.51 0.22 1.63 -0.09 0.02 0.00 0.00 175.26 177.54 1jf5 h ARG 105 N 6.88 -0.44 -0.99 1.61 2.43 -1.97 -2.20 114.38 119.70 1jf5 h ARG 105 Ca -0.37 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.04 1jf5 h ARG 105 Cb 1.17 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.72 1jf5 h ARG 105 CO 0.69 -0.29 0.62 0.66 -1.51 0.00 0.00 179.97 180.13 1jf5 h SER 106 N -0.45 0.67 0.72 -3.80 4.64 -1.94 0.26 113.55 113.65 1jf5 h SER 106 Ca 0.05 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jf5 h SER 106 Cb 0.52 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1jf5 h SER 106 CO -0.23 0.22 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 1jf5 n LYS 107 N -4.71 0.00 0.15 4.77 5.02 -0.84 -2.34 118.16 120.21 1jf5 n LYS 107 Ca 0.23 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 1jf5 n LYS 107 Cb 0.65 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.22 1jf5 n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jf5 h ALA 108 N 2.72 0.74 -0.30 7.82 0.00 -0.35 -3.43 119.26 126.46 1jf5 h ALA 108 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jf5 h ALA 108 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jf5 h ALA 108 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1jf5 n GLY 109 N 1.18 -0.58 3.38 0.00 0.00 -0.99 -1.64 105.19 106.53 1jf5 n GLY 109 Ca 0.01 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1jf5 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jf5 s VAL 110 N 0.00 0.02 0.48 1.61 0.11 -1.26 -4.56 120.40 116.80 1jf5 s VAL 110 Ca 0.00 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.73 1jf5 s VAL 110 Cb 0.00 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 34.01 1jf5 s VAL 110 CO 0.00 -0.10 0.91 -0.36 -3.33 0.00 0.00 175.10 172.22 1jf5 s PHE 111 N -0.78 3.46 -0.02 1.54 0.40 0.10 -3.95 117.98 118.73 1jf5 s PHE 111 Ca -0.09 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1jf5 s PHE 111 Cb -0.03 -2.67 0.03 0.00 0.51 0.00 0.00 43.02 40.86 1jf5 s PHE 111 CO 0.05 -0.29 0.01 -0.65 0.70 0.00 0.00 175.22 175.04 1jf5 s GLN 112 N -4.02 0.19 -0.57 0.44 -0.21 -1.26 -0.40 119.66 113.83 1jf5 s GLN 112 Ca 0.56 0.10 -0.08 0.00 0.02 0.00 0.00 55.36 55.96 1jf5 s GLN 112 Cb -0.10 -0.39 0.15 0.00 1.00 0.00 0.00 33.01 33.66 1jf5 s GLN 112 CO 0.32 -0.14 0.44 -0.47 -2.12 0.00 0.00 175.29 173.32 1jf5 s TYR 113 N 0.98 3.49 0.17 0.91 5.04 -0.09 -4.89 117.35 122.97 1jf5 s TYR 113 Ca -0.09 -2.17 -0.29 0.00 -2.44 0.00 0.00 57.07 52.08 1jf5 s TYR 113 Cb -0.13 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.71 1jf5 s TYR 113 CO -0.02 -0.95 1.54 0.00 -1.34 0.00 0.00 175.55 174.78 1jf5 h ALA 114 N 7.91 -0.43 -1.95 3.97 0.00 -1.94 -3.10 119.26 123.73 1jf5 h ALA 114 Ca -0.10 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jf5 h ALA 114 Cb 1.03 1.30 -0.21 0.00 0.00 0.00 0.00 17.79 19.92 1jf5 h ALA 114 CO 0.79 -0.91 0.20 -0.47 0.00 0.00 0.00 179.25 178.86 1jf5 s TYR 115 N -5.59 -0.70 -0.44 0.00 6.14 -1.26 -4.56 117.35 110.94 1jf5 s TYR 115 Ca -0.12 1.52 -0.12 0.00 0.64 0.00 0.00 57.07 58.99 1jf5 s TYR 115 Cb 0.13 0.34 0.08 0.00 0.42 0.00 0.00 41.96 42.92 1jf5 s TYR 115 CO 0.64 -0.45 0.32 0.42 0.64 0.00 0.00 175.55 177.12 1jf5 s ILE 116 N -0.25 4.70 -0.15 3.14 1.01 -0.63 -5.04 121.20 123.97 1jf5 s ILE 116 Ca -0.04 -1.25 -0.13 0.00 0.00 0.00 0.00 60.65 59.24 1jf5 s ILE 116 Cb -0.03 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1jf5 s ILE 116 CO 0.04 -0.54 0.27 -1.00 0.00 0.00 0.00 174.94 173.71 1jf5 s HIS 117 N 1.53 3.49 0.39 3.97 3.76 -1.26 -4.95 115.29 122.21 1jf5 s HIS 117 Ca 0.03 0.59 0.12 0.00 -0.15 0.00 0.00 55.06 55.66 1jf5 s HIS 117 Cb -0.24 -2.29 0.93 0.00 1.11 0.00 0.00 32.58 32.10 1jf5 s HIS 117 CO 0.04 0.32 1.89 0.07 -0.85 0.00 0.00 174.74 176.21 1jf5 h ARG 118 N 6.38 0.54 0.00 1.40 0.11 -1.96 0.24 114.38 121.10 1jf5 h ARG 118 Ca -0.43 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1jf5 h ARG 118 Cb 1.17 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1jf5 h ARG 118 CO 0.73 0.36 0.00 -1.13 0.10 0.00 0.00 179.97 180.03 1jf5 n SER 119 N -4.52 0.06 -0.69 0.08 3.41 -1.26 -2.04 113.62 108.66 1jf5 n SER 119 Ca 0.16 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.36 1jf5 n SER 119 Cb 0.50 -0.53 0.14 0.00 -0.26 0.00 0.00 64.21 64.06 1jf5 n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jf5 n GLU 120 N -1.57 2.09 -2.74 4.33 1.02 0.84 -4.95 120.64 119.66 1jf5 n GLU 120 Ca 0.02 -1.84 -0.43 0.00 -0.02 0.00 0.00 57.16 54.90 1jf5 n GLU 120 Cb 0.12 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1jf5 n GLU 120 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jf5 s VAL 121 N -1.05 4.56 -0.32 2.62 1.01 -0.86 -4.91 120.40 121.46 1jf5 s VAL 121 Ca 0.23 1.43 -0.38 0.00 0.00 0.00 0.00 61.98 63.26 1jf5 s VAL 121 Cb 0.13 -4.36 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 1jf5 s VAL 121 CO 0.18 -0.49 1.99 0.33 0.00 0.00 0.00 175.10 177.11 1jf5 n PHE 122 N 6.79 1.80 -4.54 5.22 -0.00 -1.26 -4.94 117.46 120.53 1jf5 n PHE 122 Ca 0.09 0.40 -0.24 0.00 -0.00 0.00 0.00 57.45 57.70 1jf5 n PHE 122 Cb 0.48 -2.49 -0.16 0.00 -0.00 0.00 0.00 39.48 37.30 1jf5 n PHE 122 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1jf5 s THR 123 N 5.48 1.05 0.18 -2.13 2.01 -1.26 -4.95 115.64 116.02 1jf5 s THR 123 Ca 1.05 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.68 1jf5 s THR 123 Cb -0.98 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1jf5 s THR 123 CO 0.57 0.33 -0.16 0.42 -0.69 0.00 0.00 174.62 175.10 1jf5 s THR 124 N 0.60 1.73 0.22 -0.82 -4.23 -1.26 -5.03 115.64 106.86 1jf5 s THR 124 Ca -0.13 -2.06 -0.32 0.00 -1.18 0.00 0.00 61.69 58.01 1jf5 s THR 124 Cb -0.15 -1.92 -0.13 0.00 1.34 0.00 0.00 72.50 71.64 1jf5 s THR 124 CO 0.03 -0.47 1.47 -2.65 -0.54 0.00 0.00 174.62 172.45 1jf5 n PRO 125 N -0.05 2.12 -0.24 3.99 -0.02 -1.26 -4.93 135.00 134.61 1jf5 n PRO 125 Ca -0.11 0.76 -0.06 0.00 -2.02 0.00 0.00 63.50 62.07 1jf5 n PRO 125 Cb 0.59 -2.45 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1jf5 n PRO 125 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jf5 h GLU 126 N 4.69 0.91 -0.10 -0.52 4.39 -1.93 -2.67 114.58 119.35 1jf5 h GLU 126 Ca -0.45 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 1jf5 h GLU 126 Cb 1.27 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1jf5 h GLU 126 CO 0.79 0.63 -0.09 0.11 -1.16 0.00 0.00 179.01 179.30 1jf5 h TRP 127 N 0.92 0.15 0.00 4.33 5.08 -1.94 -1.63 115.95 122.87 1jf5 h TRP 127 Ca 0.24 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1jf5 h TRP 127 Cb -0.05 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.06 1jf5 h TRP 127 CO -0.02 0.25 0.00 0.00 -1.28 0.00 0.00 178.44 177.39 1jf5 h ALA 128 N 1.76 1.00 0.00 0.11 0.00 -1.85 -2.54 119.26 117.74 1jf5 h ALA 128 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jf5 h ALA 128 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jf5 h ALA 128 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1jf5 n LYS 129 N -2.43 0.20 -1.30 0.00 5.02 -0.61 -3.60 118.16 115.43 1jf5 n LYS 129 Ca 0.03 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.64 1jf5 n LYS 129 Cb 0.30 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 33.53 1jf5 n LYS 129 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1jf5 n GLU 130 N -2.15 0.00 -2.37 1.97 0.28 -1.06 -4.53 120.64 112.78 1jf5 n GLU 130 Ca 0.04 -1.78 -0.27 0.00 -0.16 0.00 0.00 57.16 55.00 1jf5 n GLU 130 Cb 0.32 -0.07 0.03 0.00 1.43 0.00 0.00 31.44 33.15 1jf5 n GLU 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jf5 s ALA 131 N 0.00 3.28 -0.23 -1.84 0.00 -0.98 -4.93 121.76 117.06 1jf5 s ALA 131 Ca 0.27 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 1jf5 s ALA 131 Cb 0.31 -2.61 0.07 0.00 0.00 0.00 0.00 23.12 20.89 1jf5 s ALA 131 CO -0.13 -0.84 0.07 0.08 0.00 0.00 0.00 175.76 174.93 1jf5 s VAL 132 N -3.02 0.44 0.23 0.00 1.01 -1.26 -4.48 120.40 113.33 1jf5 s VAL 132 Ca 0.54 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 1jf5 s VAL 132 Cb -0.11 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 1jf5 s VAL 132 CO 0.45 -0.39 0.74 -0.63 0.00 0.00 0.00 175.10 175.27 1jf5 s ILE 133 N 1.88 4.55 -0.20 2.22 -1.09 -0.60 -0.97 121.20 126.99 1jf5 s ILE 133 Ca 0.03 1.31 0.01 0.00 -2.23 0.00 0.00 60.65 59.77 1jf5 s ILE 133 Cb -0.17 -3.87 0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1jf5 s ILE 133 CO -0.16 0.20 -0.08 -0.47 -1.23 0.00 0.00 174.94 173.20 1jf5 s TYR 134 N -1.53 2.26 -0.11 3.97 5.04 -0.24 -1.10 117.35 125.64 1jf5 s TYR 134 Ca 0.43 -1.53 -0.30 0.00 -2.44 0.00 0.00 57.07 53.24 1jf5 s TYR 134 Cb -0.17 -1.56 -0.01 0.00 0.35 0.00 0.00 41.96 40.57 1jf5 s TYR 134 CO 0.21 -0.73 1.06 -1.14 -1.34 0.00 0.00 175.55 173.62 1jf5 s GLN 135 N 1.44 4.39 -0.12 4.97 0.74 -0.08 -0.11 119.66 130.90 1jf5 s GLN 135 Ca -0.02 1.46 0.02 0.00 0.05 0.00 0.00 55.36 56.87 1jf5 s GLN 135 Cb -0.17 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 1jf5 s GLN 135 CO -0.08 -0.38 -0.19 0.42 -0.55 0.00 0.00 175.29 174.51 1jf5 s ILE 136 N 2.20 2.49 -0.71 -2.34 1.01 0.12 -2.35 121.20 121.62 1jf5 s ILE 136 Ca 0.50 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1jf5 s ILE 136 Cb -0.20 -2.00 0.18 0.00 0.01 0.00 0.00 42.46 40.46 1jf5 s ILE 136 CO 0.18 0.54 0.63 0.12 0.00 0.00 0.00 174.94 176.41 1jf5 s PHE 137 N 0.40 3.58 0.20 3.97 2.19 -1.26 -3.00 117.98 124.06 1jf5 s PHE 137 Ca -0.14 -1.95 -0.12 0.00 0.33 0.00 0.00 56.93 55.05 1jf5 s PHE 137 Cb -0.17 -3.70 0.25 0.00 -1.31 0.00 0.00 43.02 38.09 1jf5 s PHE 137 CO 0.07 -0.98 1.26 -0.35 1.83 0.00 0.00 175.22 177.05 1jf5 n PRO 138 N 4.23 -0.16 0.19 10.12 -0.04 -1.26 -0.57 135.00 147.52 1jf5 n PRO 138 Ca 0.06 1.25 0.15 0.00 -0.04 0.00 0.00 63.50 64.92 1jf5 n PRO 138 Cb 0.44 -1.87 0.75 0.00 -0.04 0.00 0.00 33.50 32.79 1jf5 n PRO 138 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1jf5 h GLU 139 N 0.00 0.00 -0.15 0.54 4.22 -1.94 -2.79 114.58 114.46 1jf5 h GLU 139 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1jf5 h GLU 139 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jf5 h GLU 139 CO -0.81 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 176.56 1jf5 n ARG 140 N -4.16 1.91 -0.06 1.92 5.12 0.27 -1.01 116.66 120.65 1jf5 n ARG 140 Ca 0.01 -1.53 -0.05 0.00 -1.93 0.00 0.00 57.85 54.35 1jf5 n ARG 140 Cb 0.27 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.38 1jf5 n ARG 140 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1jf5 h PHE 141 N 1.30 0.00 -1.79 -1.55 3.04 -1.10 -2.15 116.94 114.69 1jf5 h PHE 141 Ca 0.00 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 1jf5 h PHE 141 Cb 0.52 0.00 -0.24 0.00 2.56 0.00 0.00 35.95 38.80 1jf5 h PHE 141 CO 0.10 0.29 0.18 0.00 -2.02 0.00 0.00 178.31 176.85 1jf5 s ALA 142 N -2.52 -2.06 -0.56 2.41 0.00 -1.26 -4.29 121.76 113.48 1jf5 s ALA 142 Ca -0.09 2.33 -0.18 0.00 0.00 0.00 0.00 51.96 54.02 1jf5 s ALA 142 Cb 0.00 -1.56 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1jf5 s ALA 142 CO 0.22 -0.37 0.65 1.21 0.00 0.00 0.00 175.76 177.46 1jf5 s ASN 143 N 1.52 6.19 0.06 0.00 3.84 -1.26 -0.89 114.94 124.40 1jf5 s ASN 143 Ca -0.10 -1.38 0.24 0.00 0.21 0.00 0.00 52.86 51.83 1jf5 s ASN 143 Cb -0.04 -2.28 0.29 0.00 -0.55 0.00 0.00 41.25 38.66 1jf5 s ASN 143 CO -0.18 -1.02 1.25 0.61 -2.79 0.00 0.00 177.10 174.97 1jf5 n GLY 144 N 5.26 -1.30 2.80 1.21 0.00 -1.26 -4.72 105.19 107.18 1jf5 n GLY 144 Ca -0.10 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 1jf5 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jf5 s ASP 145 N -3.77 1.14 0.45 1.61 -1.08 -1.26 -4.73 116.67 109.03 1jf5 s ASP 145 Ca 0.07 -0.27 0.30 0.00 -0.52 0.00 0.00 52.55 52.14 1jf5 s ASP 145 Cb 0.15 0.63 1.26 0.00 -1.46 0.00 0.00 42.92 43.49 1jf5 s ASP 145 CO 0.74 -0.34 1.90 1.55 0.52 0.00 0.00 175.17 179.54 1jf5 h PRO 146 N 8.26 0.00 0.00 4.34 0.13 -1.91 -3.06 132.00 139.75 1jf5 h PRO 146 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1jf5 h PRO 146 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jf5 h PRO 146 CO 0.30 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.73 1jf5 h SER 147 N 0.00 0.00 -0.28 1.44 4.64 -1.99 -2.01 113.55 115.35 1jf5 h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jf5 h SER 147 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1jf5 h SER 147 CO 0.00 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.50 1jf5 n ASN 148 N -2.34 2.75 -4.69 4.97 0.23 -1.16 -4.98 115.26 110.05 1jf5 n ASN 148 Ca 0.00 -1.86 -0.42 0.00 -0.53 0.00 0.00 54.58 51.76 1jf5 n ASN 148 Cb 0.14 -0.19 -0.03 0.00 -2.08 0.00 0.00 39.78 37.62 1jf5 n ASN 148 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1jf5 s ASP 149 N -1.01 7.15 0.79 0.53 -0.00 -0.76 -4.48 116.67 118.89 1jf5 s ASP 149 Ca 0.23 1.71 -0.12 0.00 -0.00 0.00 0.00 52.55 54.37 1jf5 s ASP 149 Cb 0.13 -2.56 0.07 0.00 -0.00 0.00 0.00 42.92 40.56 1jf5 s ASP 149 CO 0.17 -0.50 1.14 -2.16 -0.00 0.00 0.00 175.17 173.82 1jf5 s PRO 150 N 1.98 1.88 0.34 8.23 0.04 -1.26 -4.91 135.00 141.30 1jf5 s PRO 150 Ca 0.53 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 1jf5 s PRO 150 Cb -0.22 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1jf5 s PRO 150 CO 0.21 -1.97 1.50 -0.35 0.04 0.00 0.00 177.00 176.43 1jf5 n PRO 151 N -3.41 2.61 -0.13 0.56 -0.04 -1.26 -2.77 135.00 130.56 1jf5 n PRO 151 Ca 0.11 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 1jf5 n PRO 151 Cb 0.52 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1jf5 n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jf5 n GLY 152 N 1.10 0.72 3.69 0.55 0.00 -1.26 -5.04 105.19 104.96 1jf5 n GLY 152 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1jf5 n GLY 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jf5 n THR 153 N -2.05 0.15 -2.42 2.61 -1.04 -1.11 -4.51 114.28 105.90 1jf5 n THR 153 Ca 0.00 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.74 1jf5 n THR 153 Cb 0.00 -1.83 0.07 0.00 -1.82 0.00 0.00 70.33 66.75 1jf5 n THR 153 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jf5 s GLU 154 N 1.75 2.11 0.41 -2.82 2.02 0.38 -4.95 118.70 117.60 1jf5 s GLU 154 Ca 0.80 -0.64 -0.26 0.00 0.02 0.00 0.00 54.97 54.89 1jf5 s GLU 154 Cb -0.59 -2.29 -0.09 0.00 0.10 0.00 0.00 34.13 31.26 1jf5 s GLU 154 CO 0.38 -1.18 1.36 -1.14 0.02 0.00 0.00 175.26 174.70 1jf5 s GLN 155 N -5.10 3.91 -0.95 1.61 2.00 -1.26 -4.72 119.66 115.15 1jf5 s GLN 155 Ca 0.61 2.28 -0.16 0.00 -2.00 0.00 0.00 55.36 56.09 1jf5 s GLN 155 Cb -0.09 -2.76 0.17 0.00 0.80 0.00 0.00 33.01 31.14 1jf5 s GLN 155 CO 0.43 -0.59 1.06 -0.46 -0.50 0.00 0.00 175.29 175.23 1jf5 s TRP 156 N -1.22 3.45 0.08 1.67 -0.11 -1.26 -4.91 118.94 116.64 1jf5 s TRP 156 Ca 0.57 -1.77 0.02 0.00 1.22 0.00 0.00 56.10 56.15 1jf5 s TRP 156 Cb -0.41 -4.12 -0.03 0.00 -1.50 0.00 0.00 33.47 27.41 1jf5 s TRP 156 CO 0.53 -1.29 -0.08 0.00 -4.62 0.00 0.00 176.95 171.49 1jf5 s ALA 157 N 1.49 0.88 0.46 5.86 0.00 -1.26 -5.04 121.76 124.14 1jf5 s ALA 157 Ca 0.30 -1.13 0.25 0.00 0.00 0.00 0.00 51.96 51.38 1jf5 s ALA 157 Cb -0.06 0.09 1.41 0.00 0.00 0.00 0.00 23.12 24.56 1jf5 s ALA 157 CO -0.08 -0.12 2.09 -0.22 0.00 0.00 0.00 175.76 177.43 1jf5 h LYS 158 N 3.59 0.00 -0.25 0.00 3.64 -1.94 -2.13 116.57 119.48 1jf5 h LYS 158 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1jf5 h LYS 158 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1jf5 h LYS 158 CO 0.54 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 177.43 1jf5 n ASP 159 N -3.84 1.95 -4.75 4.20 5.68 -1.26 -4.93 116.55 113.60 1jf5 n ASP 159 Ca -0.02 -1.81 -0.40 0.00 -0.50 0.00 0.00 54.79 52.05 1jf5 n ASP 159 Cb 0.21 -0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 39.98 1jf5 n ASP 159 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jf5 s ALA 160 N -1.68 3.36 -0.47 2.12 0.00 -0.80 -5.03 121.76 119.24 1jf5 s ALA 160 Ca 0.31 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1jf5 s ALA 160 Cb 0.17 -3.26 0.13 0.00 0.00 0.00 0.00 23.12 20.16 1jf5 s ALA 160 CO 0.25 0.04 0.25 1.03 0.00 0.00 0.00 175.76 177.32 1jf5 s ARG 161 N -1.10 1.59 0.48 0.00 1.81 -1.26 -4.88 118.95 115.59 1jf5 s ARG 161 Ca 0.43 -2.27 -0.20 0.00 -1.72 0.00 0.00 55.73 51.97 1jf5 s ARG 161 Cb -0.28 -2.77 -0.12 0.00 -0.45 0.00 0.00 34.95 31.34 1jf5 s ARG 161 CO 0.35 -1.14 0.46 -2.30 -0.68 0.00 0.00 175.30 171.99 1jf5 n PRO 162 N 3.36 0.49 -4.47 3.54 -0.02 -1.26 -5.04 135.00 131.60 1jf5 n PRO 162 Ca 0.07 0.18 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1jf5 n PRO 162 Cb 0.33 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 32.20 1jf5 n PRO 162 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jf5 s ARG 163 N -1.67 1.88 0.42 -0.52 0.52 -1.26 -4.61 118.95 113.71 1jf5 s ARG 163 Ca 0.64 -1.84 0.27 0.00 -0.52 0.00 0.00 55.73 54.29 1jf5 s ARG 163 Cb -0.54 -1.80 1.36 0.00 0.52 0.00 0.00 34.95 34.50 1jf5 s ARG 163 CO 0.58 0.18 1.64 0.45 0.02 0.00 0.00 175.30 178.17 1jf5 h HIS 164 N 2.00 0.58 -0.42 -0.53 3.86 -1.96 0.19 115.15 118.88 1jf5 h HIS 164 Ca -0.42 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1jf5 h HIS 164 Cb 1.25 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1jf5 h HIS 164 CO 0.76 -0.20 0.00 -0.40 0.86 0.00 0.00 177.93 178.95 1jf5 n ASP 165 N -4.75 3.13 -4.68 2.45 3.85 -1.26 -5.04 116.55 110.25 1jf5 n ASP 165 Ca 0.36 -1.99 -0.33 0.00 -0.71 0.00 0.00 54.79 52.11 1jf5 n ASP 165 Cb 1.34 -0.28 0.14 0.00 -1.35 0.00 0.00 41.12 40.96 1jf5 n ASP 165 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1jf5 n SER 166 N 0.75 0.87 -3.80 -1.12 7.64 0.67 -5.05 113.62 113.58 1jf5 n SER 166 Ca 0.14 0.56 -0.17 0.00 1.01 0.00 0.00 58.87 60.41 1jf5 n SER 166 Cb 0.47 -1.50 -0.16 0.00 -1.01 0.00 0.00 64.21 62.00 1jf5 n SER 166 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jf5 s PHE 167 N -2.21 0.22 -0.10 1.43 2.99 -1.26 -4.95 117.98 114.10 1jf5 s PHE 167 Ca 0.72 0.05 0.02 0.00 0.00 0.00 0.00 56.93 57.72 1jf5 s PHE 167 Cb -0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 43.02 42.35 1jf5 s PHE 167 CO 0.52 -0.12 0.10 0.66 -0.00 0.00 0.00 175.22 176.38 1jf5 n TYR 168 N 4.21 0.00 -0.69 0.36 4.01 -1.26 0.14 117.16 123.94 1jf5 n TYR 168 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1jf5 n TYR 168 Cb 0.50 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1jf5 n TYR 168 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jf5 n GLY 169 N 1.12 0.64 3.69 2.72 0.00 -1.26 -4.80 105.19 107.31 1jf5 n GLY 169 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1jf5 n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jf5 n GLY 170 N -2.69 0.52 3.50 -0.02 0.00 -0.18 -4.47 105.19 101.84 1jf5 n GLY 170 Ca 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 1jf5 n GLY 170 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jf5 s ASP 171 N -0.35 0.74 0.20 1.61 3.84 -0.07 -4.14 116.67 118.50 1jf5 s ASP 171 Ca 0.56 -1.41 -0.08 0.00 -0.00 0.00 0.00 52.55 51.62 1jf5 s ASP 171 Cb -0.57 0.65 0.11 0.00 -1.38 0.00 0.00 42.92 41.73 1jf5 s ASP 171 CO 0.62 -1.27 1.70 -0.07 -0.00 0.00 0.00 175.17 176.15 1jf5 h LEU 172 N 2.15 1.07 -0.79 2.11 3.38 -1.48 -1.88 115.31 119.86 1jf5 h LEU 172 Ca -0.28 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 57.58 1jf5 h LEU 172 Cb 1.24 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 1jf5 h LEU 172 CO 0.39 1.05 0.37 0.50 0.09 0.00 0.00 178.44 180.83 1jf5 h LYS 173 N 1.05 0.52 -0.63 1.13 1.63 -1.86 0.23 116.57 118.63 1jf5 h LYS 173 Ca 0.21 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.10 1jf5 h LYS 173 Cb 0.42 -0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.85 1jf5 h LYS 173 CO 0.01 0.34 0.14 0.78 -3.45 0.00 0.00 179.45 177.27 1jf5 h GLY 174 N 0.53 0.82 0.89 5.01 0.00 -1.35 0.75 103.07 109.71 1jf5 h GLY 174 Ca 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1jf5 h GLY 174 CO -0.38 -0.13 0.03 -2.08 0.00 0.00 0.00 176.54 173.99 1jf5 h VAL 175 N 0.27 1.11 -0.66 4.60 2.07 -0.49 -2.17 116.25 120.98 1jf5 h VAL 175 Ca 0.33 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1jf5 h VAL 175 Cb 0.51 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1jf5 h VAL 175 CO -0.42 0.09 0.31 0.40 0.02 0.00 0.00 177.57 177.98 1jf5 h ILE 176 N -0.01 0.86 0.00 4.57 2.04 0.41 0.23 117.51 125.60 1jf5 h ILE 176 Ca 0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1jf5 h ILE 176 Cb 0.12 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1jf5 h ILE 176 CO -0.00 0.10 -0.02 0.44 0.00 0.00 0.00 178.15 178.67 1jf5 h ASP 177 N 0.55 0.00 -0.21 1.72 3.32 -0.69 -2.94 116.42 118.17 1jf5 h ASP 177 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1jf5 h ASP 177 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1jf5 h ASP 177 CO -0.25 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 177.82 1jf5 n ARG 178 N -3.18 1.83 -0.31 3.56 5.12 0.69 -4.54 116.66 119.84 1jf5 n ARG 178 Ca -0.02 -1.77 0.09 0.00 -1.93 0.00 0.00 57.85 54.23 1jf5 n ARG 178 Cb 0.17 -1.33 0.31 0.00 -1.16 0.00 0.00 32.46 30.46 1jf5 n ARG 178 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1jf5 h LEU 179 N 2.94 0.79 -1.00 0.55 3.38 -1.06 -0.11 115.31 120.80 1jf5 h LEU 179 Ca 0.00 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1jf5 h LEU 179 Cb 0.72 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1jf5 h LEU 179 CO 0.00 0.41 0.63 -0.65 0.09 0.00 0.00 178.44 178.92 1jf5 h PRO 180 N 0.84 0.93 0.14 1.13 0.11 -1.82 0.85 132.00 134.18 1jf5 h PRO 180 Ca 0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.51 1jf5 h PRO 180 Cb 0.59 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1jf5 h PRO 180 CO -0.23 0.61 -0.07 -0.92 -0.21 0.00 0.00 178.00 177.19 1jf5 h TYR 181 N 0.96 -0.17 -0.58 0.65 3.20 -1.38 -1.60 116.97 118.05 1jf5 h TYR 181 Ca 0.51 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.39 1jf5 h TYR 181 Cb 0.55 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1jf5 h TYR 181 CO -0.01 0.15 0.39 -0.07 -1.64 0.00 0.00 178.16 176.98 1jf5 h LEU 182 N -0.51 0.63 -0.61 2.82 3.38 -0.29 -0.99 115.31 119.74 1jf5 h LEU 182 Ca -0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1jf5 h LEU 182 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1jf5 h LEU 182 CO 0.03 0.45 0.14 -0.08 0.09 0.00 0.00 178.44 179.07 1jf5 h GLU 183 N 0.74 0.98 -0.99 1.13 4.81 0.93 -2.71 114.58 119.47 1jf5 h GLU 183 Ca 0.22 -0.24 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1jf5 h GLU 183 Cb -0.01 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.16 1jf5 h GLU 183 CO -0.05 0.90 0.63 1.49 -0.73 0.00 0.00 179.01 181.24 1jf5 h GLU 184 N 0.90 1.02 -0.82 1.92 4.81 -0.18 -1.73 114.58 120.50 1jf5 h GLU 184 Ca 0.19 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1jf5 h GLU 184 Cb 0.36 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1jf5 h GLU 184 CO 0.00 0.68 0.40 1.25 -0.73 0.00 0.00 179.01 180.61 1jf5 h LEU 185 N 1.05 1.06 0.00 1.64 5.85 -1.17 -3.48 115.31 120.27 1jf5 h LEU 185 Ca 0.46 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1jf5 h LEU 185 Cb 0.35 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1jf5 h LEU 185 CO -0.23 0.89 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 1jf5 n GLY 186 N -1.02 1.32 3.77 3.75 0.00 -0.65 -4.53 105.19 107.83 1jf5 n GLY 186 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1jf5 n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jf5 s VAL 187 N -2.00 3.03 -1.15 1.61 -7.23 -1.24 -4.80 120.40 108.62 1jf5 s VAL 187 Ca 0.00 0.82 0.17 0.00 -1.81 0.00 0.00 61.98 61.16 1jf5 s VAL 187 Cb 0.00 -3.44 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 1jf5 s VAL 187 CO 0.00 0.04 0.79 0.41 -0.31 0.00 0.00 175.10 176.03 1jf5 n THR 188 N -0.23 0.00 -3.49 5.32 -1.04 -0.14 -4.70 114.28 110.01 1jf5 n THR 188 Ca 0.06 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.05 61.70 1jf5 n THR 188 Cb 0.47 1.10 -0.04 0.00 -1.82 0.00 0.00 70.33 70.03 1jf5 n THR 188 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jf5 s ALA 189 N -2.30 -1.72 -0.13 2.41 0.00 -1.17 -1.01 121.76 117.85 1jf5 s ALA 189 Ca 0.10 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1jf5 s ALA 189 Cb 0.13 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 1jf5 s ALA 189 CO 0.56 -0.52 -0.18 -0.51 0.00 0.00 0.00 175.76 175.12 1jf5 s LEU 190 N -1.76 2.41 -0.28 0.00 1.02 0.15 -1.08 118.68 119.13 1jf5 s LEU 190 Ca -0.06 -0.47 -0.04 0.00 0.02 0.00 0.00 54.13 53.58 1jf5 s LEU 190 Cb -0.00 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.70 1jf5 s LEU 190 CO 0.01 0.13 0.02 -0.47 0.02 0.00 0.00 176.35 176.06 1jf5 s TYR 191 N 0.55 3.12 -0.11 0.29 5.04 0.84 -0.01 117.35 127.07 1jf5 s TYR 191 Ca -0.11 -1.28 -0.10 0.00 -2.44 0.00 0.00 57.07 53.14 1jf5 s TYR 191 Cb -0.16 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 39.94 1jf5 s TYR 191 CO 0.04 -0.66 0.22 -0.06 -1.34 0.00 0.00 175.55 173.76 1jf5 s PHE 192 N 1.41 3.59 1.13 4.97 0.08 -0.45 0.13 117.98 128.85 1jf5 s PHE 192 Ca 0.01 0.63 -0.18 0.00 0.12 0.00 0.00 56.93 57.51 1jf5 s PHE 192 Cb -0.17 -2.10 0.26 0.00 -0.57 0.00 0.00 43.02 40.44 1jf5 s PHE 192 CO -0.01 0.60 1.17 0.95 -0.10 0.00 0.00 175.22 177.83 1jf5 s THR 193 N -0.69 1.72 0.20 0.64 -4.23 -1.16 -2.82 115.64 109.30 1jf5 s THR 193 Ca 0.17 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.38 1jf5 s THR 193 Cb -0.13 -2.64 -0.17 0.00 1.34 0.00 0.00 72.50 70.91 1jf5 s THR 193 CO 0.06 0.00 0.75 -2.65 -0.54 0.00 0.00 174.62 172.23 1jf5 n PRO 194 N -4.46 0.42 -0.61 3.99 -0.02 -1.26 -4.54 135.00 128.52 1jf5 n PRO 194 Ca 0.13 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1jf5 n PRO 194 Cb 0.59 -1.33 -0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1jf5 n PRO 194 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1jf5 n ILE 195 N 0.35 0.00 -3.25 4.25 -5.35 -1.26 -4.91 119.36 109.19 1jf5 n ILE 195 Ca 0.16 -0.09 -0.28 0.00 -0.27 0.00 0.00 62.75 62.28 1jf5 n ILE 195 Cb 0.25 0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 38.51 1jf5 n ILE 195 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1jf5 s PHE 196 N 0.00 3.49 -0.14 4.28 2.99 -1.26 -2.95 117.98 124.39 1jf5 s PHE 196 Ca 0.03 0.62 -0.39 0.00 0.00 0.00 0.00 56.93 57.19 1jf5 s PHE 196 Cb 0.03 -2.10 -0.16 0.00 0.00 0.00 0.00 43.02 40.80 1jf5 s PHE 196 CO -0.02 0.10 1.59 0.00 -0.00 0.00 0.00 175.22 176.90 1jf5 n ALA 197 N -1.26 -0.48 -3.41 5.36 0.00 0.11 -4.37 120.51 116.47 1jf5 n ALA 197 Ca -0.02 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1jf5 n ALA 197 Cb 0.54 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 1jf5 n ALA 197 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jf5 s SER 198 N 2.39 -0.48 0.30 0.00 0.15 -1.26 -0.46 113.70 114.35 1jf5 s SER 198 Ca 0.93 0.62 0.26 0.00 0.70 0.00 0.00 55.95 58.45 1jf5 s SER 198 Cb -1.02 0.62 0.77 0.00 -1.71 0.00 0.00 66.02 64.68 1jf5 s SER 198 CO 0.58 -0.44 1.74 1.55 1.20 0.00 0.00 173.24 177.87 1jf5 h PRO 199 N 3.89 0.00 -7.20 5.44 0.13 -1.94 -3.47 132.00 128.85 1jf5 h PRO 199 Ca -0.28 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.38 1jf5 h PRO 199 Cb 1.16 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.38 1jf5 h PRO 199 CO 0.33 0.00 0.15 -1.54 -0.23 0.00 0.00 178.00 176.71 1jf5 s SER 200 N -5.00 4.19 0.05 1.44 1.04 -1.26 -5.04 113.70 109.12 1jf5 s SER 200 Ca 0.08 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 1jf5 s SER 200 Cb 0.10 -0.06 -0.29 0.00 0.10 0.00 0.00 66.02 65.86 1jf5 s SER 200 CO 0.58 -1.97 1.09 0.45 0.98 0.00 0.00 173.24 174.37 1jf5 h HIS 201 N -0.67 1.00 0.00 5.02 3.86 -1.99 -3.33 115.15 119.04 1jf5 h HIS 201 Ca -0.37 -0.63 -0.10 0.00 -1.16 0.00 0.00 60.37 58.10 1jf5 h HIS 201 Cb 1.26 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 1jf5 h HIS 201 CO -0.31 1.47 -0.48 1.12 0.86 0.00 0.00 177.93 180.59 1jf5 h HIS 202 N 0.25 0.00 -2.01 2.45 -0.00 -1.97 -3.48 115.15 110.39 1jf5 h HIS 202 Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.88 1jf5 h HIS 202 Cb 1.91 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 29.29 1jf5 h HIS 202 CO 0.12 0.48 -0.37 1.63 -0.00 0.00 0.00 177.93 179.79 1jf5 n LYS 203 N -3.26 -1.18 0.00 5.12 4.01 -1.25 -4.76 118.16 116.84 1jf5 n LYS 203 Ca 0.02 0.75 0.12 0.00 -0.51 0.00 0.00 58.31 58.69 1jf5 n LYS 203 Cb 0.70 -5.07 0.19 0.00 -0.51 0.00 0.00 35.03 30.34 1jf5 n LYS 203 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1jf5 n TYR 204 N -3.88 0.00 -3.31 2.13 4.01 -1.26 -4.47 117.16 110.37 1jf5 n TYR 204 Ca -0.18 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.17 1jf5 n TYR 204 Cb 0.62 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 1jf5 n TYR 204 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1jf5 n ASP 205 N -1.15 5.29 -4.69 7.72 5.75 -1.26 -4.73 116.55 123.48 1jf5 n ASP 205 Ca 0.07 -3.25 -0.57 0.00 -0.01 0.00 0.00 54.79 51.04 1jf5 n ASP 205 Cb 0.35 -1.17 -0.07 0.00 -1.03 0.00 0.00 41.12 39.20 1jf5 n ASP 205 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1jf5 n THR 206 N 1.86 0.31 -0.04 2.12 -1.04 -1.26 -4.10 114.28 112.14 1jf5 n THR 206 Ca 0.25 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.05 62.02 1jf5 n THR 206 Cb 0.37 -1.28 -0.14 0.00 -1.82 0.00 0.00 70.33 67.46 1jf5 n THR 206 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jf5 n ALA 207 N 5.81 1.20 -3.39 2.41 0.00 0.40 -1.52 120.51 125.42 1jf5 n ALA 207 Ca 0.28 -0.80 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1jf5 n ALA 207 Cb 0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 1jf5 n ALA 207 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jf5 s ASP 208 N -6.55 1.58 0.00 0.00 3.68 -0.95 -4.07 116.67 110.36 1jf5 s ASP 208 Ca -0.19 -0.84 0.02 0.00 2.13 0.00 0.00 52.55 53.67 1jf5 s ASP 208 Cb 0.07 0.53 0.08 0.00 -1.45 0.00 0.00 42.92 42.15 1jf5 s ASP 208 CO 0.76 -0.37 0.91 -1.22 0.13 0.00 0.00 175.17 175.37 1jf5 n TYR 209 N 5.19 0.00 -0.34 -5.34 4.02 -1.26 -1.61 117.16 117.82 1jf5 n TYR 209 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 1jf5 n TYR 209 Cb 0.46 -0.34 0.21 0.00 -0.02 0.00 0.00 39.34 39.65 1jf5 n TYR 209 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1jf5 n LEU 210 N -1.34 3.37 -3.84 7.72 4.77 -1.26 -4.96 117.00 121.46 1jf5 n LEU 210 Ca 0.01 -2.15 -0.12 0.00 -0.03 0.00 0.00 56.01 53.71 1jf5 n LEU 210 Cb 0.01 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 1jf5 n LEU 210 CO 0.01 0.78 -0.22 0.00 -1.33 0.00 0.00 177.39 176.63 1jf5 s ALA 211 N -1.28 -0.29 0.24 -1.18 0.00 -0.63 -5.06 121.76 113.55 1jf5 s ALA 211 Ca 0.32 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1jf5 s ALA 211 Cb 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 1jf5 s ALA 211 CO 0.19 -0.09 1.20 0.42 0.00 0.00 0.00 175.76 177.48 1jf5 s ILE 212 N -0.25 3.37 0.21 0.00 -1.09 -1.26 -0.71 121.20 121.47 1jf5 s ILE 212 Ca -0.03 1.24 -0.31 0.00 -2.23 0.00 0.00 60.65 59.32 1jf5 s ILE 212 Cb -0.02 -3.79 -0.11 0.00 -1.58 0.00 0.00 42.46 36.96 1jf5 s ILE 212 CO 0.00 0.24 1.59 -0.62 -1.23 0.00 0.00 174.94 174.92 1jf5 s ASP 213 N -0.23 6.51 0.36 3.58 -1.08 -1.15 -4.49 116.67 120.17 1jf5 s ASP 213 Ca 0.50 2.75 0.18 0.00 -0.52 0.00 0.00 52.55 55.46 1jf5 s ASP 213 Cb -0.34 -2.61 1.20 0.00 -1.46 0.00 0.00 42.92 39.71 1jf5 s ASP 213 CO 0.41 -0.85 1.63 -0.65 0.52 0.00 0.00 175.17 176.23 1jf5 h PRO 214 N 6.13 0.20 0.00 4.34 0.11 -1.92 0.21 132.00 141.06 1jf5 h PRO 214 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jf5 h PRO 214 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jf5 h PRO 214 CO 0.88 0.13 0.00 -0.56 -0.21 0.00 0.00 178.00 178.24 1jf5 h GLN 215 N 0.20 0.00 0.00 1.05 3.07 -1.90 -3.02 115.11 114.51 1jf5 h GLN 215 Ca 0.78 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 59.27 1jf5 h GLN 215 Cb 1.93 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.44 1jf5 h GLN 215 CO -0.64 0.00 -2.17 1.19 0.09 0.00 0.00 178.83 177.30 1jf5 n PHE 216 N -2.47 0.00 -1.27 0.06 3.72 0.69 -4.70 117.46 113.50 1jf5 n PHE 216 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1jf5 n PHE 216 Cb 0.25 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 1jf5 n PHE 216 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jf5 n GLY 217 N 1.74 0.35 3.41 1.37 0.00 -0.86 -1.38 105.19 109.82 1jf5 n GLY 217 Ca -0.23 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 1jf5 n GLY 217 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jf5 s ASP 218 N -4.00 2.07 0.19 1.61 -4.77 -1.26 -4.00 116.67 106.51 1jf5 s ASP 218 Ca 0.00 -1.56 -0.12 0.00 -3.30 0.00 0.00 52.55 47.57 1jf5 s ASP 218 Cb 0.00 0.33 0.16 0.00 -1.09 0.00 0.00 42.92 42.32 1jf5 s ASP 218 CO 0.00 -0.85 1.79 0.25 0.70 0.00 0.00 175.17 177.06 1jf5 h LEU 219 N 2.07 0.40 -1.42 2.11 5.85 -1.97 -0.48 115.31 121.87 1jf5 h LEU 219 Ca -0.35 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1jf5 h LEU 219 Cb 1.26 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1jf5 h LEU 219 CO 0.57 0.27 0.44 -0.65 -0.34 0.00 0.00 178.44 178.73 1jf5 h PRO 220 N 0.53 0.70 -0.12 5.25 0.11 -2.00 -1.00 132.00 135.47 1jf5 h PRO 220 Ca 0.24 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1jf5 h PRO 220 Cb 0.14 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1jf5 h PRO 220 CO -0.16 0.47 -0.19 1.15 -0.21 0.00 0.00 178.00 179.06 1jf5 h THR 221 N 0.72 1.37 -0.54 -1.15 2.02 -1.73 -2.74 112.91 110.87 1jf5 h THR 221 Ca 0.28 -1.42 0.04 0.00 0.77 0.00 0.00 66.41 66.09 1jf5 h THR 221 Cb 0.20 2.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1jf5 h THR 221 CO -0.09 0.41 0.29 0.15 0.37 0.00 0.00 175.52 176.65 1jf5 h PHE 222 N -0.07 0.53 -0.95 3.16 3.57 -0.65 -0.43 116.94 122.10 1jf5 h PHE 222 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1jf5 h PHE 222 Cb 0.75 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1jf5 h PHE 222 CO 0.10 0.26 0.62 0.00 -2.23 0.00 0.00 178.31 177.06 1jf5 h ARG 223 N 0.55 1.15 -0.31 1.11 2.47 -1.21 -0.03 114.38 118.13 1jf5 h ARG 223 Ca 0.24 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1jf5 h ARG 223 Cb 0.12 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1jf5 h ARG 223 CO -0.15 0.76 0.18 -0.09 0.56 0.00 0.00 179.97 181.23 1jf5 h ARG 224 N 1.19 0.42 -0.16 0.04 9.65 -0.93 -1.12 114.38 123.47 1jf5 h ARG 224 Ca 0.38 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.24 1jf5 h ARG 224 Cb 0.02 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1jf5 h ARG 224 CO -0.13 0.33 0.02 1.25 2.80 0.00 0.00 179.97 184.24 1jf5 h LEU 225 N 0.39 -0.01 -0.58 3.80 5.85 -0.32 0.18 115.31 124.63 1jf5 h LEU 225 Ca 0.11 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1jf5 h LEU 225 Cb 0.02 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1jf5 h LEU 225 CO -0.02 0.02 0.17 0.58 -0.34 0.00 0.00 178.44 178.85 1jf5 h VAL 226 N 0.09 0.73 0.06 1.05 2.07 -0.59 0.27 116.25 119.93 1jf5 h VAL 226 Ca 0.07 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1jf5 h VAL 226 Cb 0.07 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1jf5 h VAL 226 CO -0.10 0.06 -0.03 0.44 0.02 0.00 0.00 177.57 177.96 1jf5 h ASP 227 N 0.33 -0.07 -0.67 0.57 3.45 -0.87 -0.88 116.42 118.29 1jf5 h ASP 227 Ca 0.29 -0.53 0.04 0.00 0.43 0.00 0.00 57.03 57.27 1jf5 h ASP 227 Cb 0.39 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.14 1jf5 h ASP 227 CO -0.33 0.54 0.44 -0.33 -1.57 0.00 0.00 179.24 177.99 1jf5 h GLU 228 N -0.72 0.74 -0.15 3.56 4.39 -0.47 0.46 114.58 122.39 1jf5 h GLU 228 Ca -0.01 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1jf5 h GLU 228 Cb 0.60 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1jf5 h GLU 228 CO 0.01 0.49 -0.08 0.00 -1.16 0.00 0.00 179.01 178.27 1jf5 h ALA 229 N 1.62 0.21 -0.77 3.43 0.00 -0.50 -3.23 119.26 120.01 1jf5 h ALA 229 Ca 0.28 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1jf5 h ALA 229 Cb 0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1jf5 h ALA 229 CO -0.08 0.01 0.38 0.45 0.00 0.00 0.00 179.25 180.01 1jf5 h HIS 230 N -0.03 0.67 0.00 0.00 3.86 0.52 -0.63 115.15 119.55 1jf5 h HIS 230 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1jf5 h HIS 230 Cb 0.55 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1jf5 h HIS 230 CO 0.07 0.20 0.00 2.89 0.86 0.00 0.00 177.93 181.95 1jf5 n ARG 231 N -4.87 0.03 0.00 2.45 1.85 -0.38 -1.60 116.66 114.14 1jf5 n ARG 231 Ca 0.13 0.18 0.13 0.00 -1.00 0.00 0.00 57.85 57.29 1jf5 n ARG 231 Cb 0.34 -1.55 0.26 0.00 -1.05 0.00 0.00 32.46 30.45 1jf5 n ARG 231 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1jf5 n ARG 232 N -1.61 1.94 -1.01 2.89 3.00 -0.56 -4.93 116.66 116.38 1jf5 n ARG 232 Ca 0.05 -1.45 0.00 0.00 -0.01 0.00 0.00 57.85 56.43 1jf5 n ARG 232 Cb 0.25 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1jf5 n ARG 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jf5 n GLY 233 N 1.29 0.51 3.47 -0.13 0.00 -0.63 -4.95 105.19 104.76 1jf5 n GLY 233 Ca 0.15 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1jf5 n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jf5 s ILE 234 N -2.00 4.00 0.49 -0.61 1.01 -0.35 -4.64 121.20 119.09 1jf5 s ILE 234 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1jf5 s ILE 234 Cb 0.00 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 1jf5 s ILE 234 CO 0.00 0.44 0.73 -0.54 0.00 0.00 0.00 174.94 175.57 1jf5 s LYS 235 N 0.85 3.02 -0.13 2.79 1.02 -0.18 -3.06 119.74 124.06 1jf5 s LYS 235 Ca 0.01 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1jf5 s LYS 235 Cb -0.14 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1jf5 s LYS 235 CO 0.02 -0.38 -0.20 0.42 -0.92 0.00 0.00 175.35 174.29 1jf5 s ILE 236 N -2.67 2.30 -0.17 2.17 -1.09 -1.26 0.29 121.20 120.78 1jf5 s ILE 236 Ca 0.50 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1jf5 s ILE 236 Cb -0.10 -1.93 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1jf5 s ILE 236 CO 0.40 0.54 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.82 1jf5 s ILE 237 N 0.64 2.10 0.15 2.92 -1.09 0.98 -0.64 121.20 126.26 1jf5 s ILE 237 Ca -0.10 -0.94 -0.04 0.00 -2.23 0.00 0.00 60.65 57.34 1jf5 s ILE 237 Cb -0.16 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.80 1jf5 s ILE 237 CO 0.02 0.54 0.38 -0.76 -1.23 0.00 0.00 174.94 173.89 1jf5 s LEU 238 N 1.17 4.26 -0.31 2.97 1.43 -1.04 -1.34 118.68 125.81 1jf5 s LEU 238 Ca 0.02 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.50 1jf5 s LEU 238 Cb -0.14 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1jf5 s LEU 238 CO -0.10 0.03 0.44 -0.62 0.23 0.00 0.00 176.35 176.33 1jf5 s ASP 239 N -2.59 6.28 -0.20 2.29 3.68 -1.13 -2.23 116.67 122.77 1jf5 s ASP 239 Ca 0.40 0.09 -0.09 0.00 2.13 0.00 0.00 52.55 55.08 1jf5 s ASP 239 Cb -0.12 -2.24 -0.04 0.00 -1.45 0.00 0.00 42.92 39.07 1jf5 s ASP 239 CO 0.26 -0.33 0.10 0.00 0.13 0.00 0.00 175.17 175.33 1jf5 s ALA 240 N 2.20 3.51 -0.81 3.66 0.00 -0.95 -4.57 121.76 124.78 1jf5 s ALA 240 Ca 0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1jf5 s ALA 240 Cb -0.16 -2.09 0.20 0.00 0.00 0.00 0.00 23.12 21.07 1jf5 s ALA 240 CO 0.11 0.04 0.67 0.08 0.00 0.00 0.00 175.76 176.66 1jf5 s VAL 241 N 0.62 3.98 -1.02 0.00 1.01 -1.26 -1.43 120.40 122.31 1jf5 s VAL 241 Ca 0.05 -3.78 0.25 0.00 0.00 0.00 0.00 61.98 58.50 1jf5 s VAL 241 Cb -0.12 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1jf5 s VAL 241 CO 0.01 -1.03 1.37 0.49 0.00 0.00 0.00 175.10 175.94 1jf5 n PHE 242 N 2.47 0.00 -0.16 5.22 3.72 -1.26 -4.19 117.46 123.26 1jf5 n PHE 242 Ca 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.56 1jf5 n PHE 242 Cb 0.37 -0.22 0.19 0.00 -0.94 0.00 0.00 39.48 38.87 1jf5 n PHE 242 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1jf5 h ASN 243 N 0.03 0.82 -5.15 4.37 -0.00 -1.86 -3.43 115.58 110.35 1jf5 h ASN 243 Ca 0.00 -0.12 -0.08 0.00 -0.00 0.00 0.00 56.30 56.10 1jf5 h ASN 243 Cb 0.50 -0.21 -0.14 0.00 -0.00 0.00 0.00 38.32 38.47 1jf5 h ASN 243 CO 0.00 0.75 -0.33 -1.38 -0.00 0.00 0.00 177.43 176.48 1jf5 s HIS 244 N -5.36 0.12 0.53 0.67 -3.43 -1.26 -1.89 115.29 104.68 1jf5 s HIS 244 Ca -0.10 -0.53 0.04 0.00 -0.80 0.00 0.00 55.06 53.66 1jf5 s HIS 244 Cb 0.16 -0.02 0.02 0.00 -1.43 0.00 0.00 32.58 31.31 1jf5 s HIS 244 CO 0.80 -0.58 0.26 0.00 -2.00 0.00 0.00 174.74 173.23 1jf5 s ALA 245 N -3.86 4.33 0.49 -1.38 0.00 -1.01 -4.81 121.76 115.51 1jf5 s ALA 245 Ca 0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1jf5 s ALA 245 Cb 0.04 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1jf5 s ALA 245 CO -0.10 -0.30 0.74 0.20 0.00 0.00 0.00 175.76 176.30 1jf5 s GLY 246 N -4.14 1.57 0.00 0.00 0.00 -0.57 -3.04 107.32 101.13 1jf5 s GLY 246 Ca 0.24 -0.91 0.24 0.00 0.00 0.00 0.00 44.72 44.29 1jf5 s GLY 246 CO 0.15 -0.71 1.81 2.09 0.00 0.00 0.00 173.10 176.44 1jf5 n ASP 247 N -2.23 0.00 -0.23 1.64 3.85 0.14 -1.69 116.55 118.04 1jf5 n ASP 247 Ca 0.02 -0.80 0.09 0.00 -0.71 0.00 0.00 54.79 53.39 1jf5 n ASP 247 Cb 0.57 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.29 1jf5 n ASP 247 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 1jf5 n GLN 248 N -0.99 1.19 -1.67 0.11 -0.06 -1.26 -4.57 117.38 110.13 1jf5 n GLN 248 Ca 0.18 -0.48 -0.48 0.00 -2.00 0.00 0.00 57.00 54.22 1jf5 n GLN 248 Cb 0.08 -1.38 -0.05 0.00 -4.06 0.00 0.00 30.24 24.84 1jf5 n GLN 248 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1jf5 n PHE 249 N -0.72 2.22 -0.31 3.69 7.35 -0.68 -4.70 117.46 124.31 1jf5 n PHE 249 Ca 0.06 0.21 0.12 0.00 -0.76 0.00 0.00 57.45 57.08 1jf5 n PHE 249 Cb 0.35 -2.57 0.27 0.00 0.35 0.00 0.00 39.48 37.88 1jf5 n PHE 249 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1jf5 h PHE 250 N 7.08 0.08 -0.68 -5.13 -5.15 -1.91 0.48 116.94 111.72 1jf5 h PHE 250 Ca -0.47 0.06 -0.03 0.00 -0.20 0.00 0.00 57.97 57.34 1jf5 h PHE 250 Cb 1.27 0.11 -0.03 0.00 0.22 0.00 0.00 35.95 37.52 1jf5 h PHE 250 CO 0.72 -0.33 0.33 0.00 -2.00 0.00 0.00 178.31 177.03 1jf5 h ALA 251 N 1.86 0.88 -0.52 12.09 0.00 -1.95 -2.44 119.26 129.19 1jf5 h ALA 251 Ca 0.55 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1jf5 h ALA 251 Cb 1.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jf5 h ALA 251 CO -0.78 0.44 -0.06 0.35 0.00 0.00 0.00 179.25 179.20 1jf5 h PHE 252 N 0.95 1.01 -0.95 0.00 3.57 -0.44 -2.85 116.94 118.22 1jf5 h PHE 252 Ca 0.23 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1jf5 h PHE 252 Cb 0.12 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 1jf5 h PHE 252 CO 0.00 0.94 0.61 0.00 -2.23 0.00 0.00 178.31 177.63 1jf5 h ARG 253 N 0.84 1.11 -0.33 1.11 3.08 -0.68 -0.43 114.38 119.07 1jf5 h ARG 253 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1jf5 h ARG 253 Cb 0.58 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1jf5 h ARG 253 CO 0.03 0.73 0.15 0.22 -1.07 0.00 0.00 179.97 180.04 1jf5 h ASP 254 N 1.14 0.41 -0.06 7.04 1.82 -1.22 -1.61 116.42 123.95 1jf5 h ASP 254 Ca 0.40 -0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.81 1jf5 h ASP 254 Cb 0.11 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1jf5 h ASP 254 CO -0.15 0.36 -0.70 0.58 -1.61 0.00 0.00 179.24 177.72 1jf5 h VAL 255 N 0.47 1.30 0.00 2.25 2.07 -1.02 0.24 116.25 121.56 1jf5 h VAL 255 Ca 0.12 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 1jf5 h VAL 255 Cb 0.07 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1jf5 h VAL 255 CO -0.02 0.61 -0.00 -0.07 0.02 0.00 0.00 177.57 178.12 1jf5 h LEU 256 N 0.49 0.00 0.00 2.57 3.38 -0.30 0.19 115.31 121.64 1jf5 h LEU 256 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 1jf5 h LEU 256 Cb 1.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1jf5 h LEU 256 CO 0.14 0.00 -2.06 0.00 0.09 0.00 0.00 178.44 176.61 1jf5 n GLN 257 N -3.09 0.41 0.00 1.13 6.02 -0.93 -4.65 117.38 116.27 1jf5 n GLN 257 Ca -0.02 0.16 0.13 0.00 -0.01 0.00 0.00 57.00 57.27 1jf5 n GLN 257 Cb 0.16 -1.21 0.37 0.00 1.02 0.00 0.00 30.24 30.58 1jf5 n GLN 257 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jf5 n LYS 258 N -3.70 0.90 0.00 -1.09 5.02 0.82 -5.00 118.16 115.11 1jf5 n LYS 258 Ca -0.36 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 1jf5 n LYS 258 Cb 0.78 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1jf5 n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jf5 n GLY 259 N 1.33 2.54 0.32 0.72 0.00 0.66 -0.04 105.19 110.73 1jf5 n GLY 259 Ca 0.12 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.51 1jf5 n GLY 259 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jf5 h GLU 260 N 0.00 0.11 -0.85 1.61 4.81 -1.95 -1.09 114.58 117.23 1jf5 h GLU 260 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1jf5 h GLU 260 Cb 0.00 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1jf5 h GLU 260 CO 0.00 0.07 0.13 1.04 -0.73 0.00 0.00 179.01 179.52 1jf5 n GLN 261 N -4.47 2.70 -3.12 1.92 6.02 0.95 -4.91 117.38 116.46 1jf5 n GLN 261 Ca 0.03 -1.76 -0.40 0.00 -0.01 0.00 0.00 57.00 54.87 1jf5 n GLN 261 Cb 0.29 -1.84 -0.05 0.00 1.02 0.00 0.00 30.24 29.65 1jf5 n GLN 261 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jf5 s SER 262 N -0.39 6.78 0.09 1.08 0.15 -0.41 -4.89 113.70 116.10 1jf5 s SER 262 Ca 0.31 0.94 0.05 0.00 0.70 0.00 0.00 55.95 57.95 1jf5 s SER 262 Cb 0.25 -2.36 0.28 0.00 -1.71 0.00 0.00 66.02 62.47 1jf5 s SER 262 CO 0.08 -0.19 1.09 -1.14 1.20 0.00 0.00 173.24 174.28 1jf5 n ARG 263 N 4.50 0.03 -0.11 5.44 3.00 -1.26 -1.21 116.66 127.05 1jf5 n ARG 263 Ca -0.02 0.48 0.08 0.00 -0.00 0.00 0.00 57.85 58.39 1jf5 n ARG 263 Cb 0.50 -1.69 0.13 0.00 0.00 0.00 0.00 32.46 31.41 1jf5 n ARG 263 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1jf5 n TYR 264 N -1.64 0.13 -0.21 -0.14 4.02 -1.26 -4.77 117.16 113.30 1jf5 n TYR 264 Ca -0.00 -0.88 0.16 0.00 -0.01 0.00 0.00 57.90 57.17 1jf5 n TYR 264 Cb 0.09 -0.15 0.49 0.00 -0.02 0.00 0.00 39.34 39.75 1jf5 n TYR 264 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1jf5 h LYS 265 N 0.29 0.43 -0.39 -0.72 2.10 -1.45 0.12 116.57 116.94 1jf5 h LYS 265 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1jf5 h LYS 265 Cb 0.95 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1jf5 h LYS 265 CO 0.03 0.28 0.00 -0.25 -2.00 0.00 0.00 179.45 177.51 1jf5 n ASP 266 N -4.50 1.90 -0.23 7.07 8.00 -1.26 -3.56 116.55 123.96 1jf5 n ASP 266 Ca 0.17 -2.05 0.13 0.00 0.71 0.00 0.00 54.79 53.74 1jf5 n ASP 266 Cb 0.59 -0.26 0.33 0.00 -0.02 0.00 0.00 41.12 41.76 1jf5 n ASP 266 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1jf5 n TRP 267 N 0.43 0.00 -4.29 1.24 7.02 0.41 -4.83 117.44 117.43 1jf5 n TRP 267 Ca 0.11 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.42 1jf5 n TRP 267 Cb 0.32 -0.13 -0.06 0.00 -2.42 0.00 0.00 31.31 29.03 1jf5 n TRP 267 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1jf5 n PHE 268 N -0.71 -0.32 -3.60 -5.99 3.01 -1.23 -1.98 117.46 106.65 1jf5 n PHE 268 Ca 0.11 -2.10 -0.38 0.00 1.01 0.00 0.00 57.45 56.09 1jf5 n PHE 268 Cb 0.35 0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.89 1jf5 n PHE 268 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1jf5 s PHE 269 N -2.91 3.76 -0.26 1.38 0.08 -1.25 -4.82 117.98 113.96 1jf5 s PHE 269 Ca 0.25 -2.78 -0.10 0.00 0.12 0.00 0.00 56.93 54.41 1jf5 s PHE 269 Cb 0.01 -3.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.06 1jf5 s PHE 269 CO 0.17 -0.82 0.16 0.42 -0.10 0.00 0.00 175.22 175.06 1jf5 s ILE 270 N -0.78 5.23 0.00 0.64 1.01 -1.26 -0.33 121.20 125.71 1jf5 s ILE 270 Ca 0.23 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 1jf5 s ILE 270 Cb -0.12 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 1jf5 s ILE 270 CO -0.09 0.30 0.76 -0.33 0.00 0.00 0.00 174.94 175.58 1jf5 h GLU 271 N 7.97 -0.02 -3.76 2.79 3.07 -1.14 -3.49 114.58 120.00 1jf5 h GLU 271 Ca -0.36 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.37 1jf5 h GLU 271 Cb 1.18 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.02 1jf5 h GLU 271 CO 0.60 -0.01 -0.11 -0.51 -1.40 0.00 0.00 179.01 177.57 1jf5 s ASP 272 N -2.28 0.25 0.22 1.42 1.11 -1.22 -5.08 116.67 111.09 1jf5 s ASP 272 Ca -0.00 -1.14 0.08 0.00 0.18 0.00 0.00 52.55 51.66 1jf5 s ASP 272 Cb 0.00 0.63 -0.04 0.00 1.07 0.00 0.00 42.92 44.58 1jf5 s ASP 272 CO 0.01 -1.24 0.03 -0.36 1.18 0.00 0.00 175.17 174.78 1jf5 s PHE 273 N -3.53 2.84 0.86 4.23 0.08 -1.26 -4.47 117.98 116.74 1jf5 s PHE 273 Ca 0.25 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 1jf5 s PHE 273 Cb -0.01 -1.32 0.11 0.00 -0.57 0.00 0.00 43.02 41.24 1jf5 s PHE 273 CO 0.13 0.55 1.15 -1.25 -0.10 0.00 0.00 175.22 175.71 1jf5 s PRO 274 N -3.34 1.40 0.66 0.24 0.04 -1.26 -5.04 135.00 127.71 1jf5 s PRO 274 Ca 0.30 1.54 0.26 0.00 0.04 0.00 0.00 61.00 63.14 1jf5 s PRO 274 Cb -0.08 -1.77 1.43 0.00 0.04 0.00 0.00 34.50 34.12 1jf5 s PRO 274 CO 0.20 -2.35 1.81 0.28 0.04 0.00 0.00 177.00 176.98 1jf5 h VAL 275 N -1.48 0.01 -1.90 -0.36 2.07 -1.87 -3.46 116.25 109.25 1jf5 h VAL 275 Ca -0.44 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1jf5 h VAL 275 Cb 1.27 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1jf5 h VAL 275 CO 0.44 0.00 0.30 -0.24 0.02 0.00 0.00 177.57 178.09 1jf5 n SER 276 N -2.86 -0.70 -3.61 0.57 2.88 -1.26 -4.79 113.62 103.84 1jf5 n SER 276 Ca -0.01 -1.33 -0.03 0.00 -1.33 0.00 0.00 58.87 56.17 1jf5 n SER 276 Cb 0.46 1.13 -0.02 0.00 -0.75 0.00 0.00 64.21 65.04 1jf5 n SER 276 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1jf5 s LYS 277 N -2.02 0.23 0.11 -1.46 -2.85 -1.25 -5.04 119.74 107.45 1jf5 s LYS 277 Ca 0.11 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.68 1jf5 s LYS 277 Cb -0.01 0.10 -0.06 0.00 -2.06 0.00 0.00 37.83 35.80 1jf5 s LYS 277 CO 0.02 -0.10 1.05 0.99 0.10 0.00 0.00 175.35 177.41 1jf5 s THR 278 N -2.29 4.27 0.00 3.79 2.01 -1.26 -3.62 115.64 118.53 1jf5 s THR 278 Ca 0.11 1.81 0.00 0.00 0.31 0.00 0.00 61.69 63.92 1jf5 s THR 278 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1jf5 s THR 278 CO -0.04 0.24 0.00 -1.20 -0.69 0.00 0.00 174.62 172.93 1jf5 n SER 279 N 3.02 0.00 -3.94 3.53 7.64 -1.26 -4.95 113.62 117.66 1jf5 n SER 279 Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.69 1jf5 n SER 279 Cb 0.48 -0.75 -0.17 0.00 -1.01 0.00 0.00 64.21 62.77 1jf5 n SER 279 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1jf5 s ARG 280 N -0.18 1.31 -0.14 1.43 6.06 -1.24 -5.10 118.95 121.08 1jf5 s ARG 280 Ca 0.00 -0.24 -0.01 0.00 -2.50 0.00 0.00 55.73 52.98 1jf5 s ARG 280 Cb 0.00 -1.24 -0.01 0.00 0.06 0.00 0.00 34.95 33.76 1jf5 s ARG 280 CO 0.00 -0.10 -0.12 0.95 -2.50 0.00 0.00 175.30 173.53 1jf5 s THR 281 N 1.07 3.07 -0.31 4.11 -4.23 -1.26 -3.88 115.64 114.21 1jf5 s THR 281 Ca -0.08 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.88 1jf5 s THR 281 Cb -0.14 -2.30 0.58 0.00 1.34 0.00 0.00 72.50 71.97 1jf5 s THR 281 CO -0.01 0.51 1.60 -0.46 -0.54 0.00 0.00 174.62 175.72 1jf5 n ASN 282 N 3.71 3.29 -3.80 3.99 6.94 -1.26 -4.94 115.26 123.18 1jf5 n ASN 282 Ca -0.18 -3.54 -0.12 0.00 -0.02 0.00 0.00 54.58 50.72 1jf5 n ASN 282 Cb 0.52 -0.68 -0.09 0.00 -2.36 0.00 0.00 39.78 37.18 1jf5 n ASN 282 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1jf5 s TYR 283 N -3.15 -0.08 0.38 -2.53 -0.85 -1.26 -0.47 117.35 109.39 1jf5 s TYR 283 Ca 0.48 0.06 -0.27 0.00 -0.52 0.00 0.00 57.07 56.82 1jf5 s TYR 283 Cb 0.42 0.04 -0.09 0.00 0.38 0.00 0.00 41.96 42.70 1jf5 s TYR 283 CO 0.05 -0.37 1.29 -2.00 -1.52 0.00 0.00 175.55 173.00 1jf5 s GLU 284 N -1.56 4.12 0.27 -3.49 2.12 0.55 -4.94 118.70 115.76 1jf5 s GLU 284 Ca -0.13 2.14 0.01 0.00 0.36 0.00 0.00 54.97 57.35 1jf5 s GLU 284 Cb -0.05 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1jf5 s GLU 284 CO 0.02 -0.36 0.26 0.95 -0.54 0.00 0.00 175.26 175.59 1jf5 s THR 285 N -1.24 0.00 0.32 -1.70 -4.23 -1.26 -1.01 115.64 106.52 1jf5 s THR 285 Ca 0.54 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1jf5 s THR 285 Cb -0.38 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 70.85 1jf5 s THR 285 CO 0.49 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 176.08 1jf5 n ALA 286 N -0.45 2.23 -0.57 3.99 0.00 -0.47 -4.59 120.51 120.65 1jf5 n ALA 286 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1jf5 n ALA 286 Cb 0.64 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1jf5 n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jf5 n ALA 287 N 1.37 0.00 -3.35 0.00 0.00 -1.26 -4.27 120.51 112.99 1jf5 n ALA 287 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1jf5 n ALA 287 Cb 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 1jf5 n ALA 287 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jf5 s VAL 288 N 0.00 1.63 -1.12 0.00 1.01 -1.26 -4.86 120.40 115.80 1jf5 s VAL 288 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1jf5 s VAL 288 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1jf5 s VAL 288 CO 0.00 0.47 0.81 0.00 0.00 0.00 0.00 175.10 176.37 1jf5 n GLN 289 N 3.68 -1.30 -3.68 2.72 1.13 -1.26 -4.98 117.38 113.69 1jf5 n GLN 289 Ca -0.21 0.50 -0.28 0.00 -1.94 0.00 0.00 57.00 55.08 1jf5 n GLN 289 Cb 0.52 -4.26 -0.11 0.00 0.11 0.00 0.00 30.24 26.49 1jf5 n GLN 289 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1jf5 s VAL 290 N -3.45 1.74 0.59 5.09 1.01 -1.26 -4.99 120.40 119.14 1jf5 s VAL 290 Ca 0.47 -3.45 0.29 0.00 0.00 0.00 0.00 61.98 59.29 1jf5 s VAL 290 Cb -0.16 -2.17 0.38 0.00 0.00 0.00 0.00 36.38 34.44 1jf5 s VAL 290 CO 0.85 -1.08 1.85 1.55 0.00 0.00 0.00 175.10 178.27 1jf5 h PRO 291 N 5.65 0.00 0.00 2.72 0.13 -1.93 -1.16 132.00 137.41 1jf5 h PRO 291 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1jf5 h PRO 291 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jf5 h PRO 291 CO 0.56 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 1jf5 n ALA 292 N -2.34 1.97 -3.37 -0.56 0.00 -1.26 -4.29 120.51 110.67 1jf5 n ALA 292 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 1jf5 n ALA 292 Cb 0.74 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1jf5 n ALA 292 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jf5 n MET 293 N -2.04 2.01 -1.97 0.00 2.81 -0.44 0.27 117.12 117.77 1jf5 n MET 293 Ca 0.04 -4.27 -0.42 0.00 -1.81 0.00 0.00 57.70 51.24 1jf5 n MET 293 Cb 0.31 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.81 1jf5 n MET 293 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1jf5 s PRO 294 N -2.10 4.23 0.33 0.03 0.04 -1.17 -1.37 135.00 135.00 1jf5 s PRO 294 Ca 0.38 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 1jf5 s PRO 294 Cb 0.15 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.31 1jf5 s PRO 294 CO -0.04 -0.61 1.49 0.21 0.04 0.00 0.00 177.00 178.09 1jf5 s LYS 295 N 1.49 4.16 0.00 4.56 2.20 -0.18 -2.42 119.74 129.56 1jf5 s LYS 295 Ca 0.70 2.50 -0.17 0.00 -0.36 0.00 0.00 55.97 58.63 1jf5 s LYS 295 Cb -0.42 -3.01 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 1jf5 s LYS 295 CO 0.31 -0.50 0.48 -0.51 -0.36 0.00 0.00 175.35 174.77 1jf5 s LEU 296 N -1.42 4.46 -1.25 5.43 1.43 -0.79 -3.93 118.68 122.61 1jf5 s LEU 296 Ca 0.56 1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 54.57 1jf5 s LEU 296 Cb -0.45 -2.72 0.15 0.00 0.03 0.00 0.00 46.19 43.19 1jf5 s LEU 296 CO 0.55 0.24 1.60 -1.14 0.23 0.00 0.00 176.35 177.83 1jf5 n ARG 297 N 2.15 3.36 0.10 1.70 0.63 -0.84 -4.78 116.66 118.99 1jf5 n ARG 297 Ca -0.11 -3.65 0.07 0.00 -0.92 0.00 0.00 57.85 53.24 1jf5 n ARG 297 Cb 0.52 -3.11 0.38 0.00 0.45 0.00 0.00 32.46 30.69 1jf5 n ARG 297 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1jf5 n THR 298 N 4.71 1.37 0.37 5.15 -2.24 -1.26 -0.03 114.28 122.35 1jf5 n THR 298 Ca 0.40 0.64 0.13 0.00 -2.27 0.00 0.00 64.05 62.95 1jf5 n THR 298 Cb 0.42 -1.63 0.40 0.00 -2.10 0.00 0.00 70.33 67.41 1jf5 n THR 298 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jf5 h GLU 299 N 0.00 0.00 -6.18 -0.78 5.08 -1.99 -3.40 114.58 107.31 1jf5 h GLU 299 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1jf5 h GLU 299 Cb 0.01 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 1jf5 h GLU 299 CO 0.00 0.00 0.71 1.21 -1.00 0.00 0.00 179.01 179.93 1jf5 s ASN 300 N -5.34 6.79 0.53 1.42 3.84 0.95 -4.92 114.94 118.21 1jf5 s ASN 300 Ca 0.06 0.80 0.34 0.00 0.21 0.00 0.00 52.86 54.27 1jf5 s ASN 300 Cb 0.08 -2.50 1.50 0.00 -0.55 0.00 0.00 41.25 39.78 1jf5 s ASN 300 CO 0.58 -0.86 1.83 1.55 -2.79 0.00 0.00 177.10 177.42 1jf5 h PRO 301 N 8.29 0.03 -0.27 0.43 0.13 -1.85 0.29 132.00 139.05 1jf5 h PRO 301 Ca -0.22 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.73 1jf5 h PRO 301 Cb 1.07 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1jf5 h PRO 301 CO 1.00 0.02 -0.55 0.93 -0.23 0.00 0.00 178.00 179.17 1jf5 h GLU 302 N 0.03 0.81 -0.53 0.86 5.08 -1.92 0.28 114.58 119.20 1jf5 h GLU 302 Ca 0.51 -0.52 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1jf5 h GLU 302 Cb 2.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 1jf5 h GLU 302 CO -0.03 1.15 -0.03 0.28 -1.00 0.00 0.00 179.01 179.39 1jf5 h VAL 303 N 0.62 1.27 -0.09 3.13 2.07 -0.81 -2.11 116.25 120.33 1jf5 h VAL 303 Ca 0.01 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1jf5 h VAL 303 Cb 1.15 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1jf5 h VAL 303 CO 0.12 0.40 -0.00 0.50 0.02 0.00 0.00 177.57 178.61 1jf5 h LYS 304 N 0.82 0.03 -0.35 1.57 3.64 -0.60 -1.93 116.57 119.75 1jf5 h LYS 304 Ca 0.15 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1jf5 h LYS 304 Cb 0.57 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1jf5 h LYS 304 CO 0.03 0.02 0.09 1.49 -2.27 0.00 0.00 179.45 178.81 1jf5 h GLU 305 N 0.03 0.51 -0.04 1.90 4.57 -0.28 -0.74 114.58 120.53 1jf5 h GLU 305 Ca 0.04 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1jf5 h GLU 305 Cb 0.05 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1jf5 h GLU 305 CO -0.07 0.47 -0.03 -0.92 -1.18 0.00 0.00 179.01 177.29 1jf5 h TYR 306 N 0.50 0.10 -0.98 0.92 5.03 -0.98 -1.55 116.97 120.01 1jf5 h TYR 306 Ca 0.12 -0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.41 1jf5 h TYR 306 Cb 0.20 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.40 1jf5 h TYR 306 CO 0.01 0.51 0.64 -0.07 -1.32 0.00 0.00 178.16 177.92 1jf5 h LEU 307 N -0.33 1.14 -0.59 2.82 3.38 -1.20 0.23 115.31 120.76 1jf5 h LEU 307 Ca 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jf5 h LEU 307 Cb 0.49 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1jf5 h LEU 307 CO 0.01 0.84 0.23 -0.26 0.09 0.00 0.00 178.44 179.35 1jf5 h PHE 308 N 1.34 0.90 -0.62 1.13 0.05 -1.10 0.44 116.94 119.07 1jf5 h PHE 308 Ca 0.36 -0.07 -0.01 0.00 3.82 0.00 0.00 57.97 62.07 1jf5 h PHE 308 Cb -0.13 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 37.52 1jf5 h PHE 308 CO 0.00 0.72 0.34 -0.44 -0.18 0.00 0.00 178.31 178.76 1jf5 h ASP 309 N 0.82 0.76 -0.68 2.17 3.45 -0.03 0.49 116.42 123.39 1jf5 h ASP 309 Ca 0.20 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 1jf5 h ASP 309 Cb 0.21 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 1jf5 h ASP 309 CO -0.02 0.61 0.39 0.58 -1.57 0.00 0.00 179.24 179.23 1jf5 h VAL 310 N 0.86 1.21 -0.04 -1.35 2.07 0.28 0.16 116.25 119.45 1jf5 h VAL 310 Ca 0.22 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jf5 h VAL 310 Cb 0.02 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1jf5 h VAL 310 CO -0.04 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.79 1jf5 h ALA 311 N 1.20 0.05 -0.58 1.67 0.00 0.15 -2.74 119.26 119.00 1jf5 h ALA 311 Ca 0.24 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1jf5 h ALA 311 Cb 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1jf5 h ALA 311 CO -0.04 -0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.04 1jf5 h ARG 312 N -0.06 0.42 0.11 0.00 3.08 0.34 -2.31 114.38 115.97 1jf5 h ARG 312 Ca 0.01 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1jf5 h ARG 312 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1jf5 h ARG 312 CO -0.00 0.28 -0.45 0.35 -1.07 0.00 0.00 179.97 179.08 1jf5 h PHE 313 N 0.43 -1.29 0.00 3.04 -0.00 -0.68 -1.60 116.94 116.84 1jf5 h PHE 313 Ca 0.28 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.26 1jf5 h PHE 313 Cb 0.31 0.55 -0.00 0.00 -0.00 0.00 0.00 35.95 36.80 1jf5 h PHE 313 CO -0.15 -0.51 -0.15 -1.49 -0.00 0.00 0.00 178.31 176.01 1jf5 h TRP 314 N -0.64 0.00 0.00 0.41 4.06 -1.35 -1.18 115.95 117.25 1jf5 h TRP 314 Ca -0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 1jf5 h TRP 314 Cb 0.64 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 1jf5 h TRP 314 CO -0.42 0.15 -0.30 0.52 -3.56 0.00 0.00 178.44 174.83 1jf5 h MET 315 N 0.00 0.00 0.00 0.49 2.86 -1.00 -1.49 114.93 115.79 1jf5 h MET 315 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1jf5 h MET 315 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1jf5 h MET 315 CO 0.02 0.30 -0.13 1.49 1.06 0.00 0.00 176.91 179.66 1jf5 h GLU 316 N 0.00 0.00 -0.00 1.72 4.81 -0.24 -1.31 114.58 119.56 1jf5 h GLU 316 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jf5 h GLU 316 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1jf5 h GLU 316 CO 0.04 0.13 -0.03 1.04 -0.73 0.00 0.00 179.01 179.45 1jf5 n GLN 317 N -3.21 0.63 -0.28 1.92 1.13 -0.57 -4.90 117.38 112.10 1jf5 n GLN 317 Ca 0.01 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1jf5 n GLN 317 Cb 0.44 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.29 1jf5 n GLN 317 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jf5 n GLY 318 N 1.23 0.83 3.67 1.08 0.00 -0.49 -4.88 105.19 106.63 1jf5 n GLY 318 Ca 0.16 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1jf5 n GLY 318 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jf5 s ILE 319 N -2.00 2.27 -0.76 -0.61 -4.36 -1.15 -4.87 121.20 109.72 1jf5 s ILE 319 Ca 0.00 0.09 0.11 0.00 -0.26 0.00 0.00 60.65 60.58 1jf5 s ILE 319 Cb 0.00 -2.51 -0.06 0.00 1.25 0.00 0.00 42.46 41.14 1jf5 s ILE 319 CO 0.00 -0.11 0.56 0.47 0.24 0.00 0.00 174.94 176.10 1jf5 n ASP 320 N -4.17 0.91 0.00 4.36 8.00 0.19 -4.85 116.55 120.98 1jf5 n ASP 320 Ca 0.06 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1jf5 n ASP 320 Cb 0.56 0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 1jf5 n ASP 320 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jf5 n GLY 321 N 1.08 -0.30 3.08 0.44 0.00 -1.20 -0.27 105.19 108.02 1jf5 n GLY 321 Ca 0.03 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 1jf5 n GLY 321 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jf5 s TRP 322 N -2.00 1.04 -0.33 1.61 0.52 0.18 -2.50 118.94 117.46 1jf5 s TRP 322 Ca 0.00 -0.23 -0.08 0.00 0.02 0.00 0.00 56.10 55.81 1jf5 s TRP 322 Cb 0.00 -0.65 0.03 0.00 -1.15 0.00 0.00 33.47 31.69 1jf5 s TRP 322 CO 0.00 -0.01 0.12 0.50 0.02 0.00 0.00 176.95 177.58 1jf5 s ARG 323 N -0.48 2.82 0.21 4.98 3.00 -0.95 -0.32 118.95 128.21 1jf5 s ARG 323 Ca 0.03 -1.05 -0.30 0.00 -1.00 0.00 0.00 55.73 53.41 1jf5 s ARG 323 Cb -0.05 -3.50 -0.08 0.00 0.00 0.00 0.00 34.95 31.32 1jf5 s ARG 323 CO -0.00 -0.60 0.95 -0.51 0.00 0.00 0.00 175.30 175.14 1jf5 s LEU 324 N 1.47 4.61 -0.22 -0.88 1.43 0.35 -2.25 118.68 123.20 1jf5 s LEU 324 Ca 0.01 1.92 -0.09 0.00 -1.03 0.00 0.00 54.13 54.94 1jf5 s LEU 324 Cb -0.19 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1jf5 s LEU 324 CO 0.04 0.10 0.10 -0.62 0.23 0.00 0.00 176.35 176.20 1jf5 s ASP 325 N -0.89 5.74 -1.50 2.29 -1.08 -0.52 -2.93 116.67 117.79 1jf5 s ASP 325 Ca 0.42 0.04 -0.09 0.00 -0.52 0.00 0.00 52.55 52.41 1jf5 s ASP 325 Cb -0.25 -2.01 0.07 0.00 -1.46 0.00 0.00 42.92 39.26 1jf5 s ASP 325 CO 0.32 0.09 0.77 0.52 0.52 0.00 0.00 175.17 177.39 1jf5 n VAL 326 N 4.08 -2.53 0.06 1.11 0.31 -1.26 -4.39 118.33 115.71 1jf5 n VAL 326 Ca -0.16 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1jf5 n VAL 326 Cb 0.52 -2.76 0.31 0.00 -0.91 0.00 0.00 33.84 31.00 1jf5 n VAL 326 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jf5 h ALA 327 N 0.91 1.35 0.00 3.52 0.00 -1.76 -2.98 119.26 120.31 1jf5 h ALA 327 Ca -0.60 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1jf5 h ALA 327 Cb 1.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jf5 h ALA 327 CO 0.66 0.44 0.00 0.27 0.00 0.00 0.00 179.25 180.62 1jf5 n ASN 328 N -4.23 0.00 -0.44 0.00 2.04 -1.26 -0.39 115.26 110.99 1jf5 n ASN 328 Ca 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 54.58 54.19 1jf5 n ASN 328 Cb 0.30 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.63 1jf5 n ASN 328 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1jf5 n GLU 329 N -0.89 1.50 -4.12 -3.83 1.02 -1.12 -4.96 120.64 108.23 1jf5 n GLU 329 Ca 0.00 -1.47 -0.36 0.00 -0.02 0.00 0.00 57.16 55.32 1jf5 n GLU 329 Cb 0.00 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1jf5 n GLU 329 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jf5 s VAL 330 N -0.87 4.90 0.58 2.62 1.01 0.48 -5.05 120.40 124.06 1jf5 s VAL 330 Ca 0.14 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 1jf5 s VAL 330 Cb 0.09 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1jf5 s VAL 330 CO 0.12 0.58 1.21 -0.90 0.00 0.00 0.00 175.10 176.10 1jf5 n ASP 331 N 1.93 1.90 -0.02 3.32 5.75 -1.26 -4.86 116.55 123.30 1jf5 n ASP 331 Ca -0.18 0.90 0.01 0.00 -0.01 0.00 0.00 54.79 55.50 1jf5 n ASP 331 Cb 0.54 -1.50 0.33 0.00 -1.03 0.00 0.00 41.12 39.45 1jf5 n ASP 331 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1jf5 h HIS 332 N 0.96 0.58 -0.83 2.11 3.86 -1.97 -1.12 115.15 118.74 1jf5 h HIS 332 Ca -0.50 -0.03 0.08 0.00 -1.16 0.00 0.00 60.37 58.76 1jf5 h HIS 332 Cb 1.33 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 29.56 1jf5 h HIS 332 CO 0.42 0.49 0.49 0.00 0.86 0.00 0.00 177.93 180.18 1jf5 h ALA 333 N 1.57 1.17 -0.25 2.45 0.00 -1.99 0.39 119.26 122.60 1jf5 h ALA 333 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1jf5 h ALA 333 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jf5 h ALA 333 CO -0.01 0.16 0.09 0.35 0.00 0.00 0.00 179.25 179.84 1jf5 h PHE 334 N 0.85 0.38 -0.57 0.00 3.04 -1.55 -2.17 116.94 116.93 1jf5 h PHE 334 Ca 0.39 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.21 1jf5 h PHE 334 Cb 0.29 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1jf5 h PHE 334 CO -0.05 0.42 -0.01 -1.49 -2.02 0.00 0.00 178.31 175.15 1jf5 h TRP 335 N 0.24 1.12 -0.98 0.41 -0.00 -1.16 0.55 115.95 116.12 1jf5 h TRP 335 Ca 0.08 -0.20 0.02 0.00 -0.00 0.00 0.00 58.89 58.80 1jf5 h TRP 335 Cb 0.20 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 29.02 1jf5 h TRP 335 CO -0.00 1.00 0.65 0.00 -0.00 0.00 0.00 178.44 180.09 1jf5 h ARG 336 N 0.91 1.25 0.10 0.49 3.08 -0.10 0.44 114.38 120.54 1jf5 h ARG 336 Ca 0.16 -0.08 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 1jf5 h ARG 336 Cb 0.56 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1jf5 h ARG 336 CO 0.03 0.83 -1.16 0.93 -1.07 0.00 0.00 179.97 179.53 1jf5 h GLU 337 N 1.29 0.29 -0.36 0.04 5.08 -1.03 -2.89 114.58 117.00 1jf5 h GLU 337 Ca 0.38 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jf5 h GLU 337 Cb -0.08 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1jf5 h GLU 337 CO -0.10 1.18 0.24 0.35 -1.00 0.00 0.00 179.01 179.68 1jf5 h PHE 338 N 0.11 0.45 -0.03 4.33 3.57 0.81 -1.08 116.94 125.11 1jf5 h PHE 338 Ca -0.12 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.42 1jf5 h PHE 338 Cb 1.87 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 1jf5 h PHE 338 CO 0.06 0.29 -0.16 -0.09 -2.23 0.00 0.00 178.31 176.18 1jf5 h ARG 339 N 0.49 -0.24 -0.80 1.11 2.43 -0.98 0.16 114.38 116.55 1jf5 h ARG 339 Ca 0.13 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.48 1jf5 h ARG 339 Cb -0.05 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.45 1jf5 h ARG 339 CO -0.03 -0.16 0.31 -0.09 -1.51 0.00 0.00 179.97 178.50 1jf5 h ARG 340 N -0.25 0.40 0.32 0.20 2.43 -1.15 0.14 114.38 116.48 1jf5 h ARG 340 Ca 0.06 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1jf5 h ARG 340 Cb 0.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1jf5 h ARG 340 CO -0.17 0.27 -0.15 1.25 -1.51 0.00 0.00 179.97 179.65 1jf5 h LEU 341 N 0.41 -0.36 -0.76 3.80 5.85 -0.06 -2.47 115.31 121.72 1jf5 h LEU 341 Ca 0.46 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 59.12 1jf5 h LEU 341 Cb 0.76 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 1jf5 h LEU 341 CO -0.46 0.03 0.35 0.58 -0.34 0.00 0.00 178.44 178.61 1jf5 h VAL 342 N -0.82 0.75 -0.14 1.05 2.07 -0.08 -1.02 116.25 118.05 1jf5 h VAL 342 Ca -0.04 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1jf5 h VAL 342 Cb 0.52 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1jf5 h VAL 342 CO 0.07 0.10 -0.47 0.11 0.02 0.00 0.00 177.57 177.40 1jf5 h LYS 343 N 0.55 0.37 -0.07 1.57 1.79 -1.05 -2.05 116.57 117.68 1jf5 h LYS 343 Ca 0.40 -0.20 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 1jf5 h LYS 343 Cb 0.53 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1jf5 h LYS 343 CO -0.34 0.77 -0.26 0.66 -1.08 0.00 0.00 179.45 179.20 1jf5 h SER 344 N 0.30 0.12 0.49 0.86 4.64 -0.72 -1.16 113.55 118.08 1jf5 h SER 344 Ca 0.02 -0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1jf5 h SER 344 Cb 0.95 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1jf5 h SER 344 CO 0.08 0.39 -1.46 -0.07 -0.87 0.00 0.00 176.83 174.89 1jf5 h LEU 345 N 0.11 0.40 -6.23 5.97 3.38 -1.28 -3.44 115.31 114.22 1jf5 h LEU 345 Ca 0.02 -0.52 -0.18 0.00 0.09 0.00 0.00 57.88 57.29 1jf5 h LEU 345 Cb 0.52 -0.13 -0.26 0.00 0.09 0.00 0.00 40.66 40.88 1jf5 h LEU 345 CO 0.04 1.43 -0.53 0.21 0.09 0.00 0.00 178.44 179.67 1jf5 s ASN 346 N -7.02 -0.04 0.63 -0.43 2.47 -0.78 -5.01 114.94 104.76 1jf5 s ASN 346 Ca -0.08 -0.65 0.26 0.00 0.42 0.00 0.00 52.86 52.82 1jf5 s ASN 346 Cb 0.07 1.26 1.36 0.00 -1.45 0.00 0.00 41.25 42.48 1jf5 s ASN 346 CO 0.86 -0.29 1.77 1.55 -3.72 0.00 0.00 177.10 177.27 1jf5 h PRO 347 N 7.70 0.00 -0.38 0.43 0.13 -1.45 0.24 132.00 138.67 1jf5 h PRO 347 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1jf5 h PRO 347 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jf5 h PRO 347 CO 0.21 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.73 1jf5 n ASP 348 N -3.18 2.53 -4.74 1.44 10.43 -1.26 -4.62 116.55 117.15 1jf5 n ASP 348 Ca 0.04 -1.91 -0.41 0.00 2.57 0.00 0.00 54.79 55.07 1jf5 n ASP 348 Cb 0.63 -0.25 -0.04 0.00 1.84 0.00 0.00 41.12 43.30 1jf5 n ASP 348 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jf5 s ALA 349 N -1.51 3.37 0.03 2.24 0.00 0.84 -4.83 121.76 121.89 1jf5 s ALA 349 Ca 0.34 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1jf5 s ALA 349 Cb 0.18 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 1jf5 s ALA 349 CO 0.26 -0.22 0.42 -1.17 0.00 0.00 0.00 175.76 175.04 1jf5 s LEU 350 N -0.24 4.43 -0.31 0.00 2.96 0.62 -4.83 118.68 121.31 1jf5 s LEU 350 Ca 0.50 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 55.36 1jf5 s LEU 350 Cb -0.29 -2.74 0.09 0.00 0.50 0.00 0.00 46.19 43.75 1jf5 s LEU 350 CO 0.34 0.27 0.05 -0.63 -1.32 0.00 0.00 176.35 175.06 1jf5 s ILE 351 N -1.19 1.69 -0.15 6.68 1.01 -1.26 0.50 121.20 128.48 1jf5 s ILE 351 Ca 0.27 -1.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.04 1jf5 s ILE 351 Cb -0.16 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1jf5 s ILE 351 CO 0.15 -0.55 -0.05 -0.69 0.00 0.00 0.00 174.94 173.80 1jf5 s VAL 352 N 1.22 3.77 0.40 2.92 1.01 0.56 -0.12 120.40 130.17 1jf5 s VAL 352 Ca 0.08 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1jf5 s VAL 352 Cb -0.18 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1jf5 s VAL 352 CO -0.14 0.50 0.56 -0.83 0.00 0.00 0.00 175.10 175.19 1jf5 s GLY 353 N 0.35 1.83 -0.27 4.51 0.00 0.18 0.13 107.32 114.05 1jf5 s GLY 353 Ca -0.05 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.09 1jf5 s GLY 353 CO 0.03 -1.41 0.06 1.85 0.00 0.00 0.00 173.10 173.63 1jf5 s GLU 354 N -4.33 0.81 -0.02 2.90 2.12 -1.15 -0.96 118.70 118.06 1jf5 s GLU 354 Ca 0.52 -0.88 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 1jf5 s GLU 354 Cb -0.10 -2.10 0.03 0.00 0.26 0.00 0.00 34.13 32.22 1jf5 s GLU 354 CO 0.33 -0.84 0.04 0.42 -0.54 0.00 0.00 175.26 174.67 1jf5 s ILE 355 N 1.66 -0.06 -0.29 -3.70 1.01 -1.26 -3.87 121.20 114.68 1jf5 s ILE 355 Ca 0.05 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1jf5 s ILE 355 Cb -0.17 -0.09 0.40 0.00 0.01 0.00 0.00 42.46 42.60 1jf5 s ILE 355 CO -0.18 0.09 1.50 0.79 0.00 0.00 0.00 174.94 177.14 1jf5 n TRP 356 N 4.24 1.72 -3.95 3.97 7.02 -1.26 -4.81 117.44 124.37 1jf5 n TRP 356 Ca -0.27 -1.19 -0.09 0.00 -1.02 0.00 0.00 57.50 54.93 1jf5 n TRP 356 Cb 0.50 -0.62 -0.04 0.00 -2.42 0.00 0.00 31.31 28.73 1jf5 n TRP 356 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 1jf5 s HIS 357 N -1.92 0.26 -0.47 -5.99 -3.43 -1.26 -5.07 115.29 97.42 1jf5 s HIS 357 Ca 0.33 -0.67 -0.44 0.00 -0.80 0.00 0.00 55.06 53.48 1jf5 s HIS 357 Cb 0.27 0.35 -0.18 0.00 -1.43 0.00 0.00 32.58 31.59 1jf5 s HIS 357 CO 0.07 -1.12 1.91 -3.47 -2.00 0.00 0.00 174.74 170.12 1jf5 n ASP 358 N -0.58 1.18 -1.64 7.38 -0.08 -1.26 -4.76 116.55 116.78 1jf5 n ASP 358 Ca -0.03 0.88 0.08 0.00 -1.51 0.00 0.00 54.79 54.22 1jf5 n ASP 358 Cb 0.61 -0.94 0.37 0.00 2.34 0.00 0.00 41.12 43.49 1jf5 n ASP 358 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jf5 n ALA 359 N 6.19 3.35 -0.31 -1.67 0.00 -1.26 -4.68 120.51 122.13 1jf5 n ALA 359 Ca 0.42 -1.76 0.12 0.00 0.00 0.00 0.00 53.44 52.22 1jf5 n ALA 359 Cb -0.01 -1.02 0.30 0.00 0.00 0.00 0.00 19.45 18.72 1jf5 n ALA 359 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jf5 h SER 360 N 3.87 0.50 0.00 0.00 4.64 -1.90 0.16 113.55 120.82 1jf5 h SER 360 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1jf5 h SER 360 Cb 1.64 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1jf5 h SER 360 CO 0.32 0.11 0.02 0.61 -0.87 0.00 0.00 176.83 177.02 1jf5 n GLY 361 N -1.33 -0.75 0.03 -0.77 0.00 -1.26 -0.66 105.19 100.45 1jf5 n GLY 361 Ca 0.22 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.43 1jf5 n GLY 361 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jf5 n TRP 362 N -2.04 0.00 -1.91 1.61 8.01 0.53 -4.67 117.44 118.97 1jf5 n TRP 362 Ca -0.01 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.88 1jf5 n TRP 362 Cb 0.04 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.38 1jf5 n TRP 362 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1jf5 n LEU 363 N -1.14 6.09 -0.11 -0.99 4.77 0.16 -1.96 117.00 123.83 1jf5 n LEU 363 Ca 0.02 -4.74 0.11 0.00 -0.03 0.00 0.00 56.01 51.37 1jf5 n LEU 363 Cb 0.17 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1jf5 n LEU 363 CO 0.20 1.90 0.21 0.23 -1.33 0.00 0.00 177.39 178.61 1jf5 n MET 364 N -0.69 0.28 0.00 3.23 2.81 -1.24 -4.54 117.12 116.97 1jf5 n MET 364 Ca 0.50 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1jf5 n MET 364 Cb 0.69 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 1jf5 n MET 364 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jf5 n GLY 365 N 1.47 2.46 1.31 3.03 0.00 -1.26 -4.76 105.19 107.45 1jf5 n GLY 365 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1jf5 n GLY 365 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jf5 n ASP 366 N 0.00 3.83 0.00 1.61 5.75 -1.26 -4.75 116.55 121.73 1jf5 n ASP 366 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1jf5 n ASP 366 Cb 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1jf5 n ASP 366 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jf5 n GLN 367 N 1.61 0.00 -3.22 0.11 6.02 -1.26 -4.24 117.38 116.40 1jf5 n GLN 367 Ca 0.24 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.96 1jf5 n GLN 367 Cb 0.61 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.85 1jf5 n GLN 367 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1jf5 s PHE 368 N 0.59 3.50 0.01 1.08 0.08 -0.83 -4.74 117.98 117.67 1jf5 s PHE 368 Ca 0.00 0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.64 1jf5 s PHE 368 Cb 0.00 -2.06 -0.25 0.00 -0.57 0.00 0.00 43.02 40.14 1jf5 s PHE 368 CO 0.00 0.07 0.89 -0.44 -0.10 0.00 0.00 175.22 175.64 1jf5 h ASP 369 N 1.03 0.20 -5.33 1.36 3.32 -0.82 -3.41 116.42 112.77 1jf5 h ASP 369 Ca -0.48 -0.29 0.15 0.00 0.02 0.00 0.00 57.03 56.42 1jf5 h ASP 369 Cb 1.20 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 1jf5 h ASP 369 CO 0.63 1.25 0.51 -0.94 -1.72 0.00 0.00 179.24 178.97 1jf5 s SER 370 N -6.70 -0.07 0.16 6.45 1.04 -1.17 -4.55 113.70 108.86 1jf5 s SER 370 Ca -0.06 -0.62 -0.00 0.00 0.48 0.00 0.00 55.95 55.74 1jf5 s SER 370 Cb 0.08 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1jf5 s SER 370 CO 0.84 -1.04 0.07 0.68 0.98 0.00 0.00 173.24 174.76 1jf5 s VAL 371 N -2.63 0.19 0.21 5.02 -7.23 -1.26 0.49 120.40 115.19 1jf5 s VAL 371 Ca 0.17 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 1jf5 s VAL 371 Cb -0.02 -2.21 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 1jf5 s VAL 371 CO 0.05 -0.32 1.39 -0.04 -0.31 0.00 0.00 175.10 175.86 1jf5 s MET 372 N -4.06 4.32 -1.23 4.82 -1.94 -0.13 -3.01 119.30 118.06 1jf5 s MET 372 Ca 0.29 2.18 -0.10 0.00 -1.71 0.00 0.00 55.69 56.35 1jf5 s MET 372 Cb 0.07 -3.16 0.19 0.00 2.01 0.00 0.00 34.83 33.94 1jf5 s MET 372 CO 0.05 -0.36 1.69 -1.71 -0.01 0.00 0.00 175.02 174.68 1jf5 n ASN 373 N 2.66 5.31 0.29 3.03 2.85 0.15 -4.78 115.26 124.77 1jf5 n ASN 373 Ca 0.07 -3.11 0.16 0.00 -0.11 0.00 0.00 54.58 51.59 1jf5 n ASN 373 Cb 0.41 -1.47 0.87 0.00 1.24 0.00 0.00 39.78 40.84 1jf5 n ASN 373 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1jf5 h TYR 374 N 6.08 0.00 -0.06 1.20 -0.00 -1.91 -1.35 116.97 120.93 1jf5 h TYR 374 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.98 1jf5 h TYR 374 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.41 1jf5 h TYR 374 CO 1.16 0.06 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.92 1jf5 h LEU 375 N 0.00 0.12 -0.21 0.10 3.38 -1.97 -1.26 115.31 115.47 1jf5 h LEU 375 Ca -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1jf5 h LEU 375 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jf5 h LEU 375 CO 0.01 0.50 -0.11 0.15 0.09 0.00 0.00 178.44 179.08 1jf5 h PHE 376 N 0.10 0.51 -0.18 1.13 3.04 -1.62 -2.16 116.94 117.76 1jf5 h PHE 376 Ca 0.01 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 1jf5 h PHE 376 Cb 0.74 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1jf5 h PHE 376 CO 0.01 0.74 0.09 -0.09 -2.02 0.00 0.00 178.31 177.03 1jf5 h ARG 377 N 0.14 0.26 -0.71 1.11 2.43 -1.41 -0.24 114.38 115.96 1jf5 h ARG 377 Ca 0.04 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1jf5 h ARG 377 Cb 0.61 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 1jf5 h ARG 377 CO 0.03 0.29 0.39 0.93 -1.51 0.00 0.00 179.97 180.10 1jf5 h GLU 378 N 0.16 0.67 -0.43 0.20 5.08 -1.24 0.11 114.58 119.14 1jf5 h GLU 378 Ca 0.06 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1jf5 h GLU 378 Cb 0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jf5 h GLU 378 CO -0.01 0.44 -0.26 0.77 -1.00 0.00 0.00 179.01 178.96 1jf5 h SER 379 N 0.69 0.97 0.81 1.42 0.02 -1.12 -1.88 113.55 114.47 1jf5 h SER 379 Ca 0.33 -0.42 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1jf5 h SER 379 Cb 0.26 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1jf5 h SER 379 CO -0.21 1.18 -0.58 -0.37 -1.14 0.00 0.00 176.83 175.70 1jf5 h VAL 380 N 0.76 1.26 -0.01 2.27 -1.51 -0.64 -1.79 116.25 116.59 1jf5 h VAL 380 Ca 0.09 -2.12 -0.01 0.00 -1.23 0.00 0.00 66.70 63.44 1jf5 h VAL 380 Cb 0.84 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 1jf5 h VAL 380 CO 0.07 0.57 -0.02 0.40 -1.23 0.00 0.00 177.57 177.37 1jf5 h ILE 381 N 0.00 1.48 0.00 7.19 2.04 -0.68 0.10 117.51 127.64 1jf5 h ILE 381 Ca -0.01 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 1jf5 h ILE 381 Cb 1.15 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1jf5 h ILE 381 CO 0.08 0.38 -0.00 0.03 0.00 0.00 0.00 178.15 178.63 1jf5 h ARG 382 N -0.57 0.00 0.00 2.37 3.08 -1.39 -0.49 114.38 117.37 1jf5 h ARG 382 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1jf5 h ARG 382 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 1jf5 h ARG 382 CO 0.00 0.00 -1.71 0.34 -1.07 0.00 0.00 179.97 177.53 1jf5 n PHE 383 N -3.09 0.51 0.06 3.04 7.35 -0.68 -1.26 117.46 123.39 1jf5 n PHE 383 Ca 0.00 0.22 -0.18 0.00 -0.76 0.00 0.00 57.45 56.73 1jf5 n PHE 383 Cb 0.27 -0.98 -0.14 0.00 0.35 0.00 0.00 39.48 38.98 1jf5 n PHE 383 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1jf5 h PHE 384 N -1.00 0.48 0.00 -5.13 -1.00 -1.06 -3.35 116.94 105.88 1jf5 h PHE 384 Ca -0.44 -0.35 -0.03 0.00 2.81 0.00 0.00 57.97 59.97 1jf5 h PHE 384 Cb 1.34 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.88 1jf5 h PHE 384 CO -0.05 1.43 -0.64 0.00 -1.61 0.00 0.00 178.31 177.44 1jf5 n ALA 385 N -2.71 0.52 0.03 2.45 0.00 -0.46 -4.71 120.51 115.63 1jf5 n ALA 385 Ca -0.19 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 1jf5 n ALA 385 Cb 1.05 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 20.38 1jf5 n ALA 385 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1jf5 h THR 386 N -1.00 0.53 -0.19 0.00 1.35 -1.35 -3.43 112.91 108.83 1jf5 h THR 386 Ca -0.04 -2.05 -0.08 0.00 -0.55 0.00 0.00 66.41 63.69 1jf5 h THR 386 Cb 0.63 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 1jf5 h THR 386 CO -0.02 0.30 -0.07 0.61 -0.25 0.00 0.00 175.52 176.09 1jf5 n GLY 387 N 1.41 0.67 0.28 5.82 0.00 -1.02 -4.92 105.19 107.43 1jf5 n GLY 387 Ca -0.10 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1jf5 n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jf5 h GLU 388 N 0.00 0.00 -5.59 1.61 5.08 -1.49 -3.43 114.58 110.75 1jf5 h GLU 388 Ca -0.08 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.83 1jf5 h GLU 388 Cb 0.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.35 1jf5 h GLU 388 CO 0.11 0.07 -0.75 0.96 -1.00 0.00 0.00 179.01 178.40 1jf5 s ILE 389 N -4.43 1.65 0.61 3.13 -4.36 -1.03 -5.06 121.20 111.70 1jf5 s ILE 389 Ca -0.04 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.34 1jf5 s ILE 389 Cb 0.14 -1.90 0.09 0.00 1.25 0.00 0.00 42.46 42.04 1jf5 s ILE 389 CO 0.57 -0.51 0.84 -1.38 0.24 0.00 0.00 174.94 174.70 1jf5 s HIS 390 N -2.65 1.84 0.26 1.37 -3.43 -1.26 -4.66 115.29 106.76 1jf5 s HIS 390 Ca 0.18 -0.42 -0.02 0.00 -0.80 0.00 0.00 55.06 54.00 1jf5 s HIS 390 Cb -0.02 -2.60 0.44 0.00 -1.43 0.00 0.00 32.58 28.97 1jf5 s HIS 390 CO 0.06 -1.24 1.84 0.00 -2.00 0.00 0.00 174.74 173.40 1jf5 h ALA 391 N -0.04 1.32 -0.47 -1.38 0.00 -1.83 0.87 119.26 117.72 1jf5 h ALA 391 Ca -0.35 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1jf5 h ALA 391 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1jf5 h ALA 391 CO 0.43 0.22 -0.10 0.93 0.00 0.00 0.00 179.25 180.73 1jf5 h GLU 392 N 0.95 0.86 -0.43 0.00 5.08 -1.89 0.07 114.58 119.21 1jf5 h GLU 392 Ca 0.43 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1jf5 h GLU 392 Cb 0.34 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jf5 h GLU 392 CO -0.23 0.92 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.33 1jf5 h ARG 393 N 0.77 0.94 -0.48 2.33 9.65 -1.80 -1.83 114.38 123.95 1jf5 h ARG 393 Ca 0.13 -0.44 0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1jf5 h ARG 393 Cb 0.60 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.11 1jf5 h ARG 393 CO 0.04 1.10 0.17 0.35 2.80 0.00 0.00 179.97 184.42 1jf5 h PHE 394 N 0.77 0.29 -0.68 2.20 -0.00 -0.43 -0.10 116.94 118.99 1jf5 h PHE 394 Ca 0.09 0.02 0.08 0.00 -0.00 0.00 0.00 57.97 58.16 1jf5 h PHE 394 Cb 0.86 -0.06 -0.06 0.00 -0.00 0.00 0.00 35.95 36.68 1jf5 h PHE 394 CO 0.06 0.09 0.35 0.22 -0.00 0.00 0.00 178.31 179.03 1jf5 h ASP 395 N 0.34 0.48 0.82 0.41 -0.00 -0.63 -2.28 116.42 115.55 1jf5 h ASP 395 Ca 0.23 0.05 -0.04 0.00 -0.00 0.00 0.00 57.03 57.27 1jf5 h ASP 395 Cb 0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.54 1jf5 h ASP 395 CO -0.24 0.29 -0.45 0.00 -0.00 0.00 0.00 179.24 178.83 1jf5 h ALA 396 N 1.39 -1.20 -0.85 -0.78 0.00 -0.19 -1.16 119.26 116.48 1jf5 h ALA 396 Ca 0.32 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1jf5 h ALA 396 Cb 0.29 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1jf5 h ALA 396 CO -0.23 -1.19 0.43 0.93 0.00 0.00 0.00 179.25 179.20 1jf5 h GLU 397 N -1.18 0.60 0.08 0.00 5.08 -1.30 -0.39 114.58 117.48 1jf5 h GLU 397 Ca -0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1jf5 h GLU 397 Cb 0.93 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1jf5 h GLU 397 CO 0.14 0.40 -0.05 1.25 -1.00 0.00 0.00 179.01 179.75 1jf5 h LEU 398 N 0.62 -0.13 -0.52 1.33 5.85 -1.26 -2.02 115.31 119.18 1jf5 h LEU 398 Ca 0.46 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.16 1jf5 h LEU 398 Cb 0.65 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1jf5 h LEU 398 CO -0.36 -0.09 0.22 0.74 -0.34 0.00 0.00 178.44 178.62 1jf5 h THR 399 N -0.13 1.21 -0.13 1.05 2.02 -0.11 -2.44 112.91 114.38 1jf5 h THR 399 Ca -0.01 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1jf5 h THR 399 Cb 0.11 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1jf5 h THR 399 CO 0.00 0.24 0.08 -0.09 0.37 0.00 0.00 175.52 176.12 1jf5 h ARG 400 N 0.69 0.18 -0.40 6.66 2.43 -1.02 -2.37 114.38 120.56 1jf5 h ARG 400 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1jf5 h ARG 400 Cb 0.17 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1jf5 h ARG 400 CO -0.02 0.17 0.26 0.00 -1.51 0.00 0.00 179.97 178.88 1jf5 h ALA 401 N 1.00 0.51 -0.88 2.80 0.00 -1.35 -2.87 119.26 118.46 1jf5 h ALA 401 Ca 0.05 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1jf5 h ALA 401 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1jf5 h ALA 401 CO -0.01 -0.02 0.58 -0.09 0.00 0.00 0.00 179.25 179.70 1jf5 h ARG 402 N 0.54 0.50 -0.14 0.00 2.43 -1.15 0.12 114.38 116.68 1jf5 h ARG 402 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1jf5 h ARG 402 Cb -0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1jf5 h ARG 402 CO -0.03 0.33 0.00 -1.33 -1.51 0.00 0.00 179.97 177.43 1jf5 n MET 403 N -4.54 1.43 -0.06 0.20 2.81 -0.92 -4.13 117.12 111.92 1jf5 n MET 403 Ca 0.18 -0.66 -0.13 0.00 -1.81 0.00 0.00 57.70 55.28 1jf5 n MET 403 Cb 0.60 -1.27 -0.06 0.00 -0.71 0.00 0.00 33.22 31.77 1jf5 n MET 403 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1jf5 h LEU 404 N 1.22 0.40 -9.45 4.03 4.07 -0.72 -3.47 115.31 111.38 1jf5 h LEU 404 Ca 0.00 -0.45 -0.55 0.00 0.08 0.00 0.00 57.88 56.96 1jf5 h LEU 404 Cb 0.27 -0.11 -0.13 0.00 1.08 0.00 0.00 40.66 41.76 1jf5 h LEU 404 CO 0.00 0.77 -0.58 -0.31 -1.08 0.00 0.00 178.44 177.24 1jf5 s TYR 405 N -4.41 2.03 0.81 1.13 4.12 -1.26 -4.75 117.35 115.02 1jf5 s TYR 405 Ca -0.14 -0.96 -0.12 0.00 0.02 0.00 0.00 57.07 55.87 1jf5 s TYR 405 Cb 0.06 -1.40 0.09 0.00 -1.52 0.00 0.00 41.96 39.18 1jf5 s TYR 405 CO 0.76 0.07 1.15 -2.14 0.02 0.00 0.00 175.55 175.40 1jf5 s PRO 406 N -3.82 1.72 0.48 -1.71 0.02 -1.26 -4.72 135.00 125.71 1jf5 s PRO 406 Ca 0.30 1.51 0.19 0.00 0.02 0.00 0.00 61.00 63.02 1jf5 s PRO 406 Cb 0.07 -1.81 1.21 0.00 0.02 0.00 0.00 34.50 33.99 1jf5 s PRO 406 CO 0.14 -2.10 2.01 1.05 -0.33 0.00 0.00 177.00 177.77 1jf5 h GLU 407 N -1.15 0.18 0.00 5.54 4.11 -1.94 -1.62 114.58 119.70 1jf5 h GLU 407 Ca -0.45 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 1jf5 h GLU 407 Cb 1.27 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1jf5 h GLU 407 CO 0.47 0.12 -0.08 1.96 0.07 0.00 0.00 179.01 181.55 1jf5 h GLN 408 N 0.19 0.00 0.14 1.06 7.50 -1.92 -2.17 115.11 119.90 1jf5 h GLN 408 Ca 0.22 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 59.05 1jf5 h GLN 408 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.16 1jf5 h GLN 408 CO -0.04 0.08 -1.69 0.00 -1.50 0.00 0.00 178.83 175.69 1jf5 h ALA 409 N 1.92 0.24 -0.79 3.87 0.00 -1.56 -3.35 119.26 119.58 1jf5 h ALA 409 Ca -0.00 -1.19 0.07 0.00 0.00 0.00 0.00 54.91 53.79 1jf5 h ALA 409 Cb 0.15 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1jf5 h ALA 409 CO 0.01 1.02 0.47 0.00 0.00 0.00 0.00 179.25 180.75 1jf5 h ALA 410 N 0.02 1.10 0.00 0.00 0.00 -1.18 -2.00 119.26 117.20 1jf5 h ALA 410 Ca -0.35 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jf5 h ALA 410 Cb 1.94 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1jf5 h ALA 410 CO 0.10 0.16 -0.09 0.37 0.00 0.00 0.00 179.25 179.79 1jf5 h GLN 411 N 0.84 0.00 -0.20 0.00 -0.00 -1.55 -3.02 115.11 111.18 1jf5 h GLN 411 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 1jf5 h GLN 411 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.71 1jf5 h GLN 411 CO -0.20 0.09 0.00 0.41 0.00 0.00 0.00 178.83 179.14 1jf5 n GLY 412 N -0.90 3.73 3.76 2.39 0.00 -0.81 -3.42 105.19 109.94 1jf5 n GLY 412 Ca -0.02 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1jf5 n GLY 412 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jf5 s LEU 413 N -2.11 4.47 -0.30 0.99 1.43 -0.86 -4.50 118.68 117.79 1jf5 s LEU 413 Ca 0.30 2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 1jf5 s LEU 413 Cb 0.23 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.80 1jf5 s LEU 413 CO 0.08 -0.37 1.06 0.26 0.23 0.00 0.00 176.35 177.61 1jf5 s TRP 414 N -1.16 3.19 -0.80 0.29 0.52 -1.17 0.19 118.94 120.00 1jf5 s TRP 414 Ca 0.47 1.23 -0.18 0.00 0.02 0.00 0.00 56.10 57.65 1jf5 s TRP 414 Cb -0.36 -3.60 0.15 0.00 -1.15 0.00 0.00 33.47 28.51 1jf5 s TRP 414 CO 0.47 -0.71 0.90 -0.80 0.02 0.00 0.00 176.95 176.84 1jf5 s ASN 415 N 1.57 6.53 0.33 2.95 0.01 0.37 -0.67 114.94 126.04 1jf5 s ASN 415 Ca 0.45 -2.04 -0.04 0.00 -0.71 0.00 0.00 52.86 50.52 1jf5 s ASN 415 Cb -0.13 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1jf5 s ASN 415 CO 0.14 -0.95 0.59 -1.48 -1.51 0.00 0.00 177.10 173.89 1jf5 s LEU 416 N 2.00 3.98 -0.10 0.60 2.34 -1.26 -2.80 118.68 123.44 1jf5 s LEU 416 Ca 0.22 0.68 0.11 0.00 0.06 0.00 0.00 54.13 55.20 1jf5 s LEU 416 Cb -0.12 -3.53 -0.16 0.00 -0.56 0.00 0.00 46.19 41.82 1jf5 s LEU 416 CO -0.04 -0.28 0.09 0.18 -1.06 0.00 0.00 176.35 175.23 1jf5 n LEU 417 N -1.36 0.00 0.00 1.48 4.77 -1.26 -4.08 117.00 116.54 1jf5 n LEU 417 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1jf5 n LEU 417 Cb 0.55 0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.89 1jf5 n LEU 417 CO 0.49 0.24 0.43 -0.90 -1.33 0.00 0.00 177.39 176.32 1jf5 n ASP 418 N -2.35 -1.22 -2.06 -1.43 5.68 -1.26 -4.71 116.55 109.19 1jf5 n ASP 418 Ca -0.16 -1.74 -0.04 0.00 -0.50 0.00 0.00 54.79 52.35 1jf5 n ASP 418 Cb 0.79 2.01 0.01 0.00 -1.14 0.00 0.00 41.12 42.79 1jf5 n ASP 418 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1jf5 n SER 419 N -1.15 -1.12 0.00 -1.12 3.41 -1.26 -4.78 113.62 107.60 1jf5 n SER 419 Ca -0.03 -1.71 0.07 0.00 -0.26 0.00 0.00 58.87 56.94 1jf5 n SER 419 Cb 0.36 1.84 0.39 0.00 -0.26 0.00 0.00 64.21 66.55 1jf5 n SER 419 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jf5 n HIS 420 N -0.33 0.00 0.14 7.33 1.44 -1.26 -2.42 115.22 120.11 1jf5 n HIS 420 Ca -0.03 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.74 1jf5 n HIS 420 Cb 0.32 -0.23 0.12 0.00 0.12 0.00 0.00 29.99 30.31 1jf5 n HIS 420 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1jf5 n ASP 421 N -1.23 2.60 -4.16 4.39 8.00 -1.26 -4.61 116.55 120.29 1jf5 n ASP 421 Ca 0.08 -1.78 -0.11 0.00 0.71 0.00 0.00 54.79 53.69 1jf5 n ASP 421 Cb 0.11 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 1jf5 n ASP 421 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1jf5 s THR 422 N -1.03 0.06 0.79 -3.53 -1.32 -1.02 -4.55 115.64 105.03 1jf5 s THR 422 Ca 0.21 -1.90 -0.12 0.00 -1.21 0.00 0.00 61.69 58.67 1jf5 s THR 422 Cb 0.12 -2.22 0.07 0.00 -1.51 0.00 0.00 72.50 68.96 1jf5 s THR 422 CO 0.17 -0.26 1.13 -1.83 -2.21 0.00 0.00 174.62 171.63 1jf5 s GLU 423 N -4.09 1.97 0.34 7.08 -1.05 -1.26 -4.45 118.70 117.24 1jf5 s GLU 423 Ca 0.30 1.43 -0.27 0.00 -0.15 0.00 0.00 54.97 56.28 1jf5 s GLU 423 Cb 0.07 -1.85 -0.09 0.00 -0.44 0.00 0.00 34.13 31.82 1jf5 s GLU 423 CO 0.06 -1.90 1.12 1.03 0.95 0.00 0.00 175.26 176.52 1jf5 s ARG 424 N -4.50 4.35 0.37 -4.83 0.52 -0.79 -4.65 118.95 109.41 1jf5 s ARG 424 Ca 0.66 1.76 0.11 0.00 -0.52 0.00 0.00 55.73 57.74 1jf5 s ARG 424 Cb -0.22 -2.88 0.87 0.00 0.52 0.00 0.00 34.95 33.25 1jf5 s ARG 424 CO 0.52 -0.04 1.87 0.35 0.02 0.00 0.00 175.30 178.02 1jf5 h PHE 425 N 3.14 0.75 -0.63 -0.53 3.57 -1.89 0.25 116.94 121.60 1jf5 h PHE 425 Ca -0.48 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.05 1jf5 h PHE 425 Cb 1.22 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1jf5 h PHE 425 CO 0.57 0.27 0.41 1.25 -2.23 0.00 0.00 178.31 178.58 1jf5 h LEU 426 N 0.63 0.72 -0.31 0.59 5.85 -1.92 0.18 115.31 121.05 1jf5 h LEU 426 Ca 0.44 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.05 1jf5 h LEU 426 Cb 0.78 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1jf5 h LEU 426 CO -0.19 0.52 -0.16 0.74 -0.34 0.00 0.00 178.44 179.01 1jf5 h THR 427 N 0.85 1.29 -0.19 1.05 2.02 -0.81 0.17 112.91 117.30 1jf5 h THR 427 Ca 0.23 -1.28 0.05 0.00 0.77 0.00 0.00 66.41 66.18 1jf5 h THR 427 Cb -0.09 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1jf5 h THR 427 CO -0.05 0.41 0.14 0.28 0.37 0.00 0.00 175.52 176.67 1jf5 h SER 428 N 0.43 0.04 -0.28 4.18 0.02 0.31 0.47 113.55 118.72 1jf5 h SER 428 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1jf5 h SER 428 Cb 0.70 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1jf5 h SER 428 CO 0.05 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1jf5 n GLY 430 N 1.18 -0.21 2.63 0.00 0.00 0.16 -2.19 105.19 106.76 1jf5 n GLY 430 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jf5 n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jf5 n GLY 431 N -1.15 0.87 3.55 -0.02 0.00 0.55 -4.98 105.19 104.00 1jf5 n GLY 431 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1jf5 n GLY 431 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jf5 s ASN 432 N -2.75 6.16 0.39 1.61 3.84 -0.93 -4.88 114.94 118.37 1jf5 s ASN 432 Ca 0.00 -0.46 0.10 0.00 0.21 0.00 0.00 52.86 52.71 1jf5 s ASN 432 Cb 0.00 -2.56 0.79 0.00 -0.55 0.00 0.00 41.25 38.93 1jf5 s ASN 432 CO 0.00 -1.84 1.91 -0.08 -2.79 0.00 0.00 177.10 174.30 1jf5 h GLU 433 N 10.09 0.19 -0.15 0.43 4.81 -1.93 -2.35 114.58 125.67 1jf5 h GLU 433 Ca -0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1jf5 h GLU 433 Cb 1.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1jf5 h GLU 433 CO 1.28 0.36 0.10 0.00 -0.73 0.00 0.00 179.01 180.03 1jf5 h ALA 434 N 1.65 1.91 0.10 2.92 0.00 -1.96 0.22 119.26 124.10 1jf5 h ALA 434 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1jf5 h ALA 434 Cb 0.41 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1jf5 h ALA 434 CO 0.03 0.08 -0.59 0.87 0.00 0.00 0.00 179.25 179.64 1jf5 h LYS 435 N 0.19 0.22 -0.50 0.00 1.57 -1.79 -3.21 116.57 113.04 1jf5 h LYS 435 Ca 0.06 -0.37 0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1jf5 h LYS 435 Cb -0.01 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1jf5 h LYS 435 CO -0.01 1.18 0.14 0.35 -0.57 0.00 0.00 179.45 180.54 1jf5 h PHE 436 N -0.54 0.24 -0.34 -1.35 3.57 -0.87 -2.21 116.94 115.44 1jf5 h PHE 436 Ca -0.10 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1jf5 h PHE 436 Cb 1.46 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1jf5 h PHE 436 CO 0.22 0.05 0.17 0.00 -2.23 0.00 0.00 178.31 176.52 1jf5 h ARG 437 N 0.30 0.34 -0.82 1.11 3.08 -0.71 -0.35 114.38 117.33 1jf5 h ARG 437 Ca 0.25 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1jf5 h ARG 437 Cb 0.31 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1jf5 h ARG 437 CO -0.29 0.23 0.54 -0.07 -1.07 0.00 0.00 179.97 179.31 1jf5 h LEU 438 N 0.35 0.91 -0.45 3.04 3.38 -1.42 0.38 115.31 121.50 1jf5 h LEU 438 Ca 0.14 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1jf5 h LEU 438 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jf5 h LEU 438 CO -0.10 0.64 -0.24 0.00 0.09 0.00 0.00 178.44 178.84 1jf5 h ALA 439 N 1.50 0.64 -0.33 1.53 0.00 -0.98 -0.44 119.26 121.19 1jf5 h ALA 439 Ca 0.32 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1jf5 h ALA 439 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1jf5 h ALA 439 CO -0.08 0.65 -0.26 0.28 0.00 0.00 0.00 179.25 179.83 1jf5 h VAL 440 N 0.81 1.27 -0.60 0.00 2.07 0.07 0.15 116.25 120.02 1jf5 h VAL 440 Ca 0.10 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1jf5 h VAL 440 Cb 0.82 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1jf5 h VAL 440 CO 0.07 0.44 0.40 0.25 0.02 0.00 0.00 177.57 178.75 1jf5 h LEU 441 N 0.57 0.69 0.65 2.57 6.46 0.04 -0.43 115.31 125.86 1jf5 h LEU 441 Ca 0.08 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1jf5 h LEU 441 Cb 0.75 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1jf5 h LEU 441 CO 0.06 0.50 -0.31 0.15 -0.62 0.00 0.00 178.44 178.22 1jf5 h PHE 442 N 0.82 -0.81 -0.97 1.25 3.04 -0.45 -2.44 116.94 117.38 1jf5 h PHE 442 Ca 0.22 -0.02 0.32 0.00 3.98 0.00 0.00 57.97 62.48 1jf5 h PHE 442 Cb -0.09 0.27 -0.17 0.00 2.56 0.00 0.00 35.95 38.51 1jf5 h PHE 442 CO -0.03 -0.47 0.32 0.37 -2.02 0.00 0.00 178.31 176.48 1jf5 h GLN 443 N -1.10 0.08 0.00 1.11 4.15 -0.52 1.33 115.11 120.16 1jf5 h GLN 443 Ca -0.09 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1jf5 h GLN 443 Cb 0.71 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1jf5 h GLN 443 CO 0.15 0.05 0.00 -1.33 -1.93 0.00 0.00 178.83 175.77 1jf5 n MET 444 N -5.30 0.13 0.00 1.69 2.81 -0.19 -3.75 117.12 112.50 1jf5 n MET 444 Ca 0.29 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1jf5 n MET 444 Cb 0.96 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 1jf5 n MET 444 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1jf5 n THR 445 N -1.43 0.04 -2.75 2.03 -2.24 0.44 -4.79 114.28 105.58 1jf5 n THR 445 Ca 0.09 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 1jf5 n THR 445 Cb 0.29 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1jf5 n THR 445 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jf5 s TYR 446 N -0.04 2.90 0.01 4.78 5.04 0.03 -4.92 117.35 125.15 1jf5 s TYR 446 Ca 0.00 -0.04 -0.30 0.00 -2.44 0.00 0.00 57.07 54.29 1jf5 s TYR 446 Cb 0.00 -2.63 -0.06 0.00 0.35 0.00 0.00 41.96 39.62 1jf5 s TYR 446 CO 0.00 -0.73 1.42 -1.17 -1.34 0.00 0.00 175.55 173.73 1jf5 s LEU 447 N -4.67 4.32 0.00 6.97 2.96 -1.26 -4.86 118.68 122.14 1jf5 s LEU 447 Ca 0.56 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1jf5 s LEU 447 Cb -0.10 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1jf5 s LEU 447 CO 0.37 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 1jf5 n GLY 448 N 3.66 0.81 3.38 7.98 0.00 -1.22 -4.88 105.19 114.93 1jf5 n GLY 448 Ca 0.13 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1jf5 n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jf5 s THR 449 N -1.26 3.91 0.05 2.61 2.01 0.52 -4.83 115.64 118.64 1jf5 s THR 449 Ca 0.00 -0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 1jf5 s THR 449 Cb 0.00 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 1jf5 s THR 449 CO 0.00 0.35 1.44 -2.84 -0.69 0.00 0.00 174.62 172.88 1jf5 s PRO 450 N 1.55 4.28 -0.18 4.92 0.02 -1.26 0.14 135.00 144.47 1jf5 s PRO 450 Ca 0.06 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.14 1jf5 s PRO 450 Cb -0.15 -3.48 0.01 0.00 0.02 0.00 0.00 34.50 30.90 1jf5 s PRO 450 CO 0.01 -0.56 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.77 1jf5 s LEU 451 N 2.05 2.24 -0.21 -5.54 0.20 -1.12 -1.55 118.68 114.75 1jf5 s LEU 451 Ca 0.66 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.78 1jf5 s LEU 451 Cb -0.34 -1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 43.86 1jf5 s LEU 451 CO 0.28 0.01 0.13 -0.63 -0.29 0.00 0.00 176.35 175.86 1jf5 s ILE 452 N 1.21 5.36 -0.07 6.68 1.01 -0.26 -4.34 121.20 130.79 1jf5 s ILE 452 Ca 0.03 0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.58 1jf5 s ILE 452 Cb -0.14 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1jf5 s ILE 452 CO -0.09 0.42 0.88 -0.47 0.00 0.00 0.00 174.94 175.68 1jf5 s TYR 453 N 0.51 3.56 -0.26 3.97 5.04 -1.26 -0.90 117.35 128.01 1jf5 s TYR 453 Ca 0.08 1.47 -0.44 0.00 -2.44 0.00 0.00 57.07 55.74 1jf5 s TYR 453 Cb -0.12 -3.03 -0.20 0.00 0.35 0.00 0.00 41.96 38.97 1jf5 s TYR 453 CO -0.00 -0.07 1.35 2.48 -1.34 0.00 0.00 175.55 177.96 1jf5 n TYR 454 N 4.36 1.23 0.00 4.97 0.18 -0.99 -1.70 117.16 125.20 1jf5 n TYR 454 Ca 0.04 1.10 0.00 0.00 1.88 0.00 0.00 57.90 60.92 1jf5 n TYR 454 Cb 0.50 -2.17 0.00 0.00 -0.38 0.00 0.00 39.34 37.30 1jf5 n TYR 454 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jf5 n GLY 455 N 2.80 2.95 0.37 -7.48 0.00 -1.26 -4.88 105.19 97.69 1jf5 n GLY 455 Ca 0.26 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.47 1jf5 n GLY 455 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jf5 h ASP 456 N 0.00 0.00 0.70 1.61 3.32 -1.60 0.70 116.42 121.15 1jf5 h ASP 456 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jf5 h ASP 456 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1jf5 h ASP 456 CO 0.00 0.00 0.00 1.05 -1.72 0.00 0.00 179.24 178.57 1jf5 h GLU 457 N 0.00 0.00 -0.18 3.56 9.09 -1.90 -2.27 114.58 122.87 1jf5 h GLU 457 Ca 0.21 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.59 1jf5 h GLU 457 Cb 0.90 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.98 1jf5 h GLU 457 CO -0.00 0.00 -0.03 0.44 0.05 0.00 0.00 179.01 179.46 1jf5 n ILE 458 N -3.03 2.21 -1.35 -1.06 -6.64 0.19 -2.22 119.36 107.45 1jf5 n ILE 458 Ca -0.00 -2.19 0.00 0.00 -1.77 0.00 0.00 62.75 58.79 1jf5 n ILE 458 Cb 0.23 -0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 1jf5 n ILE 458 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1jf5 n GLY 459 N -0.91 0.49 3.76 3.28 0.00 -0.86 -1.54 105.19 109.41 1jf5 n GLY 459 Ca 0.21 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1jf5 n GLY 459 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jf5 s MET 460 N -2.76 4.40 0.53 1.61 -1.94 -0.92 -4.95 119.30 115.28 1jf5 s MET 460 Ca 0.00 2.11 0.02 0.00 -1.71 0.00 0.00 55.69 56.11 1jf5 s MET 460 Cb 0.00 -3.13 0.01 0.00 2.01 0.00 0.00 34.83 33.72 1jf5 s MET 460 CO 0.00 -0.16 0.15 0.00 -0.01 0.00 0.00 175.02 175.00 1jf5 s ALA 461 N -0.67 4.31 0.00 3.03 0.00 -1.26 -4.66 121.76 122.51 1jf5 s ALA 461 Ca 0.51 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1jf5 s ALA 461 Cb -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1jf5 s ALA 461 CO 0.46 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1jf5 n GLY 462 N -1.48 3.89 3.46 0.00 0.00 -1.26 -4.85 105.19 104.95 1jf5 n GLY 462 Ca -0.14 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 1jf5 n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jf5 n ALA 463 N -1.42 -1.18 -0.72 4.61 0.00 -1.25 -1.89 120.51 118.66 1jf5 n ALA 463 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 53.44 51.57 1jf5 n ALA 463 Cb 0.00 -0.03 0.25 0.00 0.00 0.00 0.00 19.45 19.66 1jf5 n ALA 463 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jf5 s THR 464 N -3.50 1.71 -0.19 0.00 -1.32 -1.26 -1.60 115.64 109.48 1jf5 s THR 464 Ca 0.66 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 60.78 1jf5 s THR 464 Cb -0.02 -2.23 -0.17 0.00 -1.51 0.00 0.00 72.50 68.57 1jf5 s THR 464 CO 0.46 0.00 1.10 -0.67 -2.21 0.00 0.00 174.62 173.31 1jf5 n ASP 465 N -4.97 0.46 -1.47 8.08 4.64 -1.26 -0.46 116.55 121.57 1jf5 n ASP 465 Ca 0.08 0.99 0.09 0.00 -1.38 0.00 0.00 54.79 54.57 1jf5 n ASP 465 Cb 0.57 -0.76 0.34 0.00 -1.04 0.00 0.00 41.12 40.23 1jf5 n ASP 465 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1jf5 n PRO 466 N 2.23 3.52 0.00 -0.67 -0.04 -1.26 -4.91 135.00 133.87 1jf5 n PRO 466 Ca 0.21 -2.81 0.10 0.00 -0.04 0.00 0.00 63.50 60.96 1jf5 n PRO 466 Cb 0.01 -1.81 0.50 0.00 -0.04 0.00 0.00 33.50 32.16 1jf5 n PRO 466 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jf5 n ASP 467 N 1.09 0.00 0.02 3.54 2.03 0.39 -2.22 116.55 121.40 1jf5 n ASP 467 Ca 0.25 0.17 0.12 0.00 0.52 0.00 0.00 54.79 55.85 1jf5 n ASP 467 Cb 0.83 -0.36 0.22 0.00 -0.72 0.00 0.00 41.12 41.08 1jf5 n ASP 467 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jf5 n ARG 469 N -1.74 2.95 -2.73 0.00 1.74 -0.94 -4.93 116.66 111.01 1jf5 n ARG 469 Ca 0.04 -3.57 -0.35 0.00 -0.77 0.00 0.00 57.85 53.21 1jf5 n ARG 469 Cb 0.38 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.47 1jf5 n ARG 469 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jf5 s ARG 470 N -3.78 4.25 0.12 5.56 0.52 -1.26 -4.85 118.95 119.51 1jf5 s ARG 470 Ca 0.60 1.27 -0.35 0.00 -0.52 0.00 0.00 55.73 56.73 1jf5 s ARG 470 Cb 0.48 -2.39 -0.17 0.00 0.52 0.00 0.00 34.95 33.39 1jf5 s ARG 470 CO -0.04 -0.02 1.17 -2.30 0.02 0.00 0.00 175.30 174.13 1jf5 n PRO 471 N -0.28 0.91 -1.73 3.54 -0.02 -1.26 -4.84 135.00 131.31 1jf5 n PRO 471 Ca 0.06 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1jf5 n PRO 471 Cb 0.52 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1jf5 n PRO 471 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1jf5 n MET 472 N 1.93 2.58 -2.80 -0.52 1.56 -0.81 -4.91 117.12 114.15 1jf5 n MET 472 Ca 0.17 0.92 -0.43 0.00 -0.27 0.00 0.00 57.70 58.09 1jf5 n MET 472 Cb 0.20 -2.68 -0.04 0.00 2.15 0.00 0.00 33.22 32.85 1jf5 n MET 472 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1jf5 s ILE 473 N 0.08 4.45 -0.99 1.12 1.01 -1.26 -4.89 121.20 120.72 1jf5 s ILE 473 Ca 0.66 0.81 0.16 0.00 0.00 0.00 0.00 60.65 62.27 1jf5 s ILE 473 Cb -0.53 -4.45 -0.11 0.00 0.01 0.00 0.00 42.46 37.38 1jf5 s ILE 473 CO 0.47 -0.84 0.73 0.79 0.00 0.00 0.00 174.94 176.09 1jf5 n TRP 474 N 7.22 0.00 -2.16 3.97 5.03 -1.26 -4.86 117.44 125.37 1jf5 n TRP 474 Ca 0.07 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.18 1jf5 n TRP 474 Cb 0.49 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.74 1jf5 n TRP 474 CO 0.00 0.00 0.00 -1.21 -0.03 0.00 0.00 177.69 176.45 1jf5 s GLU 475 N -2.27 3.16 0.37 -0.99 0.41 -1.26 -4.83 118.70 113.27 1jf5 s GLU 475 Ca 0.08 0.87 0.18 0.00 -0.41 0.00 0.00 54.97 55.70 1jf5 s GLU 475 Cb 0.12 -4.21 1.18 0.00 -1.78 0.00 0.00 34.13 29.44 1jf5 s GLU 475 CO 0.56 -2.09 1.66 1.49 -0.49 0.00 0.00 175.26 176.39 1jf5 h GLU 476 N 12.70 0.25 -0.49 1.61 4.81 -1.94 0.79 114.58 132.30 1jf5 h GLU 476 Ca -0.29 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1jf5 h GLU 476 Cb 1.14 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1jf5 h GLU 476 CO 1.13 0.17 0.08 -0.22 -0.73 0.00 0.00 179.01 179.44 1jf5 h LYS 477 N 0.26 0.77 -0.01 1.92 3.64 -2.00 -2.60 116.57 118.55 1jf5 h LYS 477 Ca 0.75 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1jf5 h LYS 477 Cb 1.87 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1jf5 h LYS 477 CO -0.56 0.72 -0.13 0.39 -2.27 0.00 0.00 179.45 177.61 1jf5 n GLU 478 N -4.26 0.84 -3.31 1.90 -0.58 0.27 -4.87 120.64 110.62 1jf5 n GLU 478 Ca 0.03 -0.36 -0.32 0.00 -0.42 0.00 0.00 57.16 56.09 1jf5 n GLU 478 Cb 0.25 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 1jf5 n GLU 478 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1jf5 s GLN 479 N -2.41 3.88 -1.25 3.49 -0.21 -0.76 -4.99 119.66 117.41 1jf5 s GLN 479 Ca 0.30 0.42 -0.10 0.00 0.02 0.00 0.00 55.36 56.00 1jf5 s GLN 479 Cb 0.20 -2.57 0.18 0.00 1.00 0.00 0.00 33.01 31.81 1jf5 s GLN 479 CO 0.46 0.26 1.73 -1.71 -2.12 0.00 0.00 175.29 173.91 1jf5 n ASN 480 N -0.20 5.20 0.19 5.90 5.15 -0.59 -4.76 115.26 126.15 1jf5 n ASN 480 Ca 0.01 -3.09 0.18 0.00 -0.60 0.00 0.00 54.58 51.08 1jf5 n ASN 480 Cb 0.53 -1.49 0.81 0.00 -0.53 0.00 0.00 39.78 39.10 1jf5 n ASN 480 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1jf5 h ARG 481 N 6.10 0.00 -0.04 1.20 2.47 -1.86 0.30 114.38 122.56 1jf5 h ARG 481 Ca 0.36 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.08 1jf5 h ARG 481 Cb 0.70 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1jf5 h ARG 481 CO 1.50 0.00 0.03 0.78 0.56 0.00 0.00 179.97 182.84 1jf5 h GLY 482 N 0.00 0.06 1.10 0.04 0.00 -1.95 0.68 103.07 103.01 1jf5 h GLY 482 Ca 0.10 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1jf5 h GLY 482 CO -0.00 0.03 -0.23 -2.00 0.00 0.00 0.00 176.54 174.34 1jf5 h LEU 483 N 0.00 1.01 -0.16 3.11 5.85 -1.31 -2.69 115.31 121.12 1jf5 h LEU 483 Ca 0.02 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1jf5 h LEU 483 Cb 0.06 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1jf5 h LEU 483 CO -0.00 1.19 -0.13 0.15 -0.34 0.00 0.00 178.44 179.30 1jf5 h PHE 484 N 0.83 -0.34 -0.07 1.25 -0.00 -0.63 -0.14 116.94 117.85 1jf5 h PHE 484 Ca 0.10 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 58.12 1jf5 h PHE 484 Cb 0.81 0.17 -0.00 0.00 -0.00 0.00 0.00 35.95 36.93 1jf5 h PHE 484 CO 0.05 -0.20 0.05 0.93 -0.00 0.00 0.00 178.31 179.15 1jf5 h GLU 485 N -0.15 0.02 -0.24 1.11 4.39 -0.75 -1.37 114.58 117.59 1jf5 h GLU 485 Ca 0.10 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1jf5 h GLU 485 Cb 0.30 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1jf5 h GLU 485 CO -0.25 0.01 0.11 0.35 -1.16 0.00 0.00 179.01 178.08 1jf5 h PHE 486 N 0.02 0.35 -0.15 4.33 -0.00 -0.72 -1.32 116.94 119.45 1jf5 h PHE 486 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1jf5 h PHE 486 Cb 0.12 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 35.95 1jf5 h PHE 486 CO -0.00 0.34 0.10 1.88 -0.00 0.00 0.00 178.31 180.63 1jf5 h TYR 487 N 0.26 0.19 -0.39 0.41 -1.99 -0.44 -1.79 116.97 113.22 1jf5 h TYR 487 Ca 0.08 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.90 1jf5 h TYR 487 Cb 0.12 -0.06 -0.09 0.00 2.00 0.00 0.00 36.73 38.70 1jf5 h TYR 487 CO -0.02 0.12 -0.26 0.87 -0.00 0.00 0.00 178.16 178.87 1jf5 h LYS 488 N 0.21 -0.19 -0.41 4.88 1.57 -0.87 0.40 116.57 122.16 1jf5 h LYS 488 Ca 0.06 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1jf5 h LYS 488 Cb -0.02 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1jf5 h LYS 488 CO -0.01 -0.13 0.20 1.49 -0.57 0.00 0.00 179.45 180.43 1jf5 h GLU 489 N -0.20 0.39 -0.37 3.15 4.81 -0.95 0.86 114.58 122.27 1jf5 h GLU 489 Ca 0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1jf5 h GLU 489 Cb 0.49 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1jf5 h GLU 489 CO -0.51 0.25 0.14 -0.07 -0.73 0.00 0.00 179.01 178.10 1jf5 h LEU 490 N 0.40 0.51 -1.45 1.64 3.38 -0.42 -0.23 115.31 119.15 1jf5 h LEU 490 Ca 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1jf5 h LEU 490 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1jf5 h LEU 490 CO -0.13 0.55 0.09 0.40 0.09 0.00 0.00 178.44 179.44 1jf5 h ILE 491 N 0.44 1.15 0.51 1.22 2.04 0.35 -0.93 117.51 122.29 1jf5 h ILE 491 Ca 0.12 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1jf5 h ILE 491 Cb 0.21 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1jf5 h ILE 491 CO -0.01 0.18 -0.24 -0.09 0.00 0.00 0.00 178.15 177.99 1jf5 h ARG 492 N 0.45 -0.66 -0.85 2.37 2.43 -0.29 -2.35 114.38 115.49 1jf5 h ARG 492 Ca 0.11 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1jf5 h ARG 492 Cb 0.16 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 1jf5 h ARG 492 CO -0.01 -0.37 0.55 -0.07 -1.51 0.00 0.00 179.97 178.57 1jf5 h LEU 493 N -0.86 0.72 -1.02 3.80 3.38 -0.47 -0.45 115.31 120.41 1jf5 h LEU 493 Ca -0.07 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1jf5 h LEU 493 Cb 0.59 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1jf5 h LEU 493 CO 0.11 0.42 -0.24 -0.09 0.09 0.00 0.00 178.44 178.73 1jf5 h ARG 494 N 0.79 0.42 -0.01 1.13 2.43 -1.08 -0.30 114.38 117.75 1jf5 h ARG 494 Ca 0.40 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.26 1jf5 h ARG 494 Cb 0.47 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1jf5 h ARG 494 CO -0.17 0.63 -0.72 0.45 -1.51 0.00 0.00 179.97 178.66 1jf5 h HIS 495 N 0.37 0.13 0.00 2.20 3.86 -0.54 -3.29 115.15 117.88 1jf5 h HIS 495 Ca 0.06 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jf5 h HIS 495 Cb 0.63 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1jf5 h HIS 495 CO 0.02 0.78 -1.04 2.89 0.86 0.00 0.00 177.93 181.44 1jf5 n ARG 496 N -3.72 0.31 -3.28 2.45 1.85 -0.94 -4.67 116.66 108.65 1jf5 n ARG 496 Ca -0.02 -0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.37 1jf5 n ARG 496 Cb 0.70 -1.60 -0.02 0.00 -1.05 0.00 0.00 32.46 30.49 1jf5 n ARG 496 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1jf5 s LEU 497 N -4.00 6.53 0.56 2.89 1.43 -0.14 -4.91 118.68 121.04 1jf5 s LEU 497 Ca 0.03 -2.71 0.48 0.00 -1.03 0.00 0.00 54.13 50.90 1jf5 s LEU 497 Cb 0.14 -2.23 1.69 0.00 0.03 0.00 0.00 46.19 45.82 1jf5 s LEU 497 CO 0.80 -0.60 1.62 0.00 0.23 0.00 0.00 176.35 178.40 1jf5 h ALA 498 N 7.78 3.72 -0.06 4.21 0.00 -1.83 0.41 119.26 133.50 1jf5 h ALA 498 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1jf5 h ALA 498 Cb 1.02 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1jf5 h ALA 498 CO 0.82 -2.24 -0.34 0.77 0.00 0.00 0.00 179.25 178.25 1jf5 h SER 499 N 0.00 0.11 1.46 0.00 0.02 -1.90 -0.08 113.55 113.17 1jf5 h SER 499 Ca 0.86 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.77 1jf5 h SER 499 Cb 3.47 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 65.99 1jf5 h SER 499 CO -0.01 0.45 0.00 -0.07 -1.14 0.00 0.00 176.83 176.06 1jf5 h LEU 500 N 0.09 0.00 0.00 5.07 3.38 -0.46 -1.10 115.31 122.30 1jf5 h LEU 500 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1jf5 h LEU 500 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1jf5 h LEU 500 CO 0.05 0.00 -1.86 0.35 0.09 0.00 0.00 178.44 177.07 1jf5 n THR 501 N -2.46 0.86 -0.32 0.22 -2.24 -1.04 -4.74 114.28 104.57 1jf5 n THR 501 Ca 0.05 -0.32 0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1jf5 n THR 501 Cb 0.42 -1.09 0.04 0.00 -2.10 0.00 0.00 70.33 67.60 1jf5 n THR 501 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jf5 n ARG 502 N -3.01 2.49 -2.73 -0.78 1.74 -0.07 -4.77 116.66 109.52 1jf5 n ARG 502 Ca -0.27 -1.83 -0.22 0.00 -0.77 0.00 0.00 57.85 54.76 1jf5 n ARG 502 Cb 0.78 -1.15 0.03 0.00 -1.02 0.00 0.00 32.46 31.10 1jf5 n ARG 502 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jf5 s GLY 503 N -1.56 1.74 0.35 -0.13 0.00 -0.42 -4.82 107.32 102.47 1jf5 s GLY 503 Ca 0.10 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 1jf5 s GLY 503 CO 0.01 -0.96 0.48 1.16 0.00 0.00 0.00 173.10 173.78 1jf5 n ASN 504 N -2.28 0.21 -3.90 1.64 2.04 0.77 -4.66 115.26 109.07 1jf5 n ASN 504 Ca 0.06 -1.28 -0.21 0.00 -0.44 0.00 0.00 54.58 52.71 1jf5 n ASN 504 Cb 0.59 -0.35 -0.16 0.00 -2.53 0.00 0.00 39.78 37.33 1jf5 n ASN 504 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1jf5 s VAL 505 N -1.76 0.63 -0.03 3.53 1.01 -1.26 -2.98 120.40 119.54 1jf5 s VAL 505 Ca 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1jf5 s VAL 505 Cb -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1jf5 s VAL 505 CO 0.19 0.25 -0.03 -0.13 0.00 0.00 0.00 175.10 175.39 1jf5 s ARG 506 N 0.99 0.58 0.37 2.72 1.81 -1.05 -4.98 118.95 119.38 1jf5 s ARG 506 Ca -0.10 -0.06 -0.27 0.00 -1.72 0.00 0.00 55.73 53.58 1jf5 s ARG 506 Cb -0.14 -0.64 -0.09 0.00 -0.45 0.00 0.00 34.95 33.63 1jf5 s ARG 506 CO -0.00 -0.06 1.31 -1.12 -0.68 0.00 0.00 175.30 174.74 1jf5 s SER 507 N 0.76 6.52 -0.17 0.23 0.01 -1.26 -1.30 113.70 118.49 1jf5 s SER 507 Ca -0.09 2.67 0.05 0.00 1.31 0.00 0.00 55.95 59.89 1jf5 s SER 507 Cb -0.12 -2.64 -0.14 0.00 0.21 0.00 0.00 66.02 63.33 1jf5 s SER 507 CO -0.00 -0.71 -0.09 1.87 0.41 0.00 0.00 173.24 174.71 1jf5 n TRP 508 N 0.43 0.00 -3.60 2.43 -0.00 0.22 -4.82 117.44 112.10 1jf5 n TRP 508 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.40 1jf5 n TRP 508 Cb 0.43 -0.70 -0.06 0.00 -0.00 0.00 0.00 31.31 30.97 1jf5 n TRP 508 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1jf5 s HIS 509 N -2.36 -0.55 -0.11 5.87 2.46 -0.87 -4.87 115.29 114.86 1jf5 s HIS 509 Ca -0.19 1.22 -0.06 0.00 0.47 0.00 0.00 55.06 56.49 1jf5 s HIS 509 Cb 0.06 0.37 0.04 0.00 -0.13 0.00 0.00 32.58 32.92 1jf5 s HIS 509 CO 0.47 -0.35 0.27 0.00 -2.47 0.00 0.00 174.74 172.66 1jf5 s ALA 510 N -0.26 -0.64 -0.19 1.58 0.00 -1.26 -1.21 121.76 119.79 1jf5 s ALA 510 Ca -0.01 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 1jf5 s ALA 510 Cb -0.03 -0.64 0.08 0.00 0.00 0.00 0.00 23.12 22.53 1jf5 s ALA 510 CO -0.00 -0.19 0.15 0.34 0.00 0.00 0.00 175.76 176.06 1jf5 s ASP 511 N 1.09 1.94 0.56 0.00 3.68 -1.15 -4.88 116.67 117.91 1jf5 s ASP 511 Ca -0.08 -0.46 0.37 0.00 2.13 0.00 0.00 52.55 54.51 1jf5 s ASP 511 Cb -0.09 0.04 1.90 0.00 -1.45 0.00 0.00 42.92 43.32 1jf5 s ASP 511 CO -0.08 -0.34 2.13 0.07 0.13 0.00 0.00 175.17 177.08 1jf5 h LYS 512 N 8.37 0.00 0.00 4.34 2.10 -1.93 0.19 116.57 129.64 1jf5 h LYS 512 Ca -0.16 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.43 1jf5 h LYS 512 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1jf5 h LYS 512 CO 0.29 0.00 -0.48 0.37 -2.00 0.00 0.00 179.45 177.63 1jf5 h GLN 513 N 0.00 0.00 0.00 0.07 5.75 -1.97 -3.37 115.11 115.59 1jf5 h GLN 513 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jf5 h GLN 513 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1jf5 h GLN 513 CO 0.00 0.40 0.00 0.00 -2.65 0.00 0.00 178.83 176.58 1jf5 h ALA 514 N -0.72 1.00 -6.25 3.38 0.00 -1.98 -3.46 119.26 111.24 1jf5 h ALA 514 Ca -0.08 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.36 1jf5 h ALA 514 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jf5 h ALA 514 CO -0.05 0.00 -0.76 -1.71 0.00 0.00 0.00 179.25 176.73 1jf5 n ASN 515 N -2.72 -4.69 -4.41 0.00 5.15 0.65 -4.65 115.26 104.60 1jf5 n ASN 515 Ca 0.02 -0.76 -0.33 0.00 -0.60 0.00 0.00 54.58 52.91 1jf5 n ASN 515 Cb 0.33 -4.00 -0.14 0.00 -0.53 0.00 0.00 39.78 35.44 1jf5 n ASN 515 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1jf5 s LEU 516 N -7.24 2.83 0.01 1.20 0.20 -1.23 -3.02 118.68 111.44 1jf5 s LEU 516 Ca 0.61 -0.27 0.06 0.00 0.69 0.00 0.00 54.13 55.22 1jf5 s LEU 516 Cb -0.30 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1jf5 s LEU 516 CO 0.82 0.18 -0.19 -0.47 -0.29 0.00 0.00 176.35 176.40 1jf5 s TYR 517 N 0.26 1.68 -0.00 5.38 6.04 -0.14 -2.92 117.35 127.65 1jf5 s TYR 517 Ca -0.08 -0.34 -0.01 0.00 0.04 0.00 0.00 57.07 56.68 1jf5 s TYR 517 Cb -0.15 -1.04 -0.00 0.00 -1.04 0.00 0.00 41.96 39.72 1jf5 s TYR 517 CO 0.05 0.03 0.03 0.00 -1.54 0.00 0.00 175.55 174.11 1jf5 s ALA 518 N -0.62 -0.05 0.08 3.97 0.00 -0.35 0.15 121.76 124.94 1jf5 s ALA 518 Ca 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1jf5 s ALA 518 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1jf5 s ALA 518 CO 0.00 -0.08 0.08 -0.59 0.00 0.00 0.00 175.76 175.18 1jf5 s PHE 519 N -0.54 0.38 -0.11 0.00 -0.71 -0.24 0.72 117.98 117.48 1jf5 s PHE 519 Ca -0.06 -0.86 0.02 0.00 -1.04 0.00 0.00 56.93 54.99 1jf5 s PHE 519 Cb -0.04 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.54 1jf5 s PHE 519 CO -0.00 -0.47 -0.17 0.08 -1.34 0.00 0.00 175.22 173.32 1jf5 s VAL 520 N -3.90 1.63 -0.19 -2.49 1.01 -0.42 0.40 120.40 116.43 1jf5 s VAL 520 Ca 0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1jf5 s VAL 520 Cb 0.06 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1jf5 s VAL 520 CO -0.09 0.47 0.23 -0.13 0.00 0.00 0.00 175.10 175.57 1jf5 s ARG 521 N 0.89 4.20 -0.01 2.72 1.81 -0.58 -2.54 118.95 125.43 1jf5 s ARG 521 Ca -0.08 -0.06 0.02 0.00 -1.72 0.00 0.00 55.73 53.89 1jf5 s ARG 521 Cb -0.15 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 30.90 1jf5 s ARG 521 CO -0.01 0.21 -0.06 0.99 -0.68 0.00 0.00 175.30 175.76 1jf5 s THR 522 N 0.59 0.49 -0.15 0.02 2.01 -1.16 -1.59 115.64 115.85 1jf5 s THR 522 Ca 0.12 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 1jf5 s THR 522 Cb -0.12 -0.44 0.06 0.00 0.01 0.00 0.00 72.50 72.00 1jf5 s THR 522 CO 0.02 0.16 0.35 0.54 -0.69 0.00 0.00 174.62 175.00 1jf5 s VAL 523 N 0.13 -0.17 0.00 3.82 0.11 -1.06 -0.17 120.40 123.07 1jf5 s VAL 523 Ca -0.01 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1jf5 s VAL 523 Cb -0.06 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1jf5 s VAL 523 CO -0.00 0.06 0.00 0.00 -3.33 0.00 0.00 175.10 171.83 1jf5 n GLN 524 N 4.55 0.00 0.05 1.54 1.13 -1.26 -1.64 117.38 121.75 1jf5 n GLN 524 Ca -0.20 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.98 1jf5 n GLN 524 Cb 0.53 0.00 0.23 0.00 0.11 0.00 0.00 30.24 31.11 1jf5 n GLN 524 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1jf5 n ASP 525 N 2.15 0.65 -4.73 1.08 10.43 -1.26 -4.89 116.55 119.99 1jf5 n ASP 525 Ca 0.00 0.14 -0.41 0.00 2.57 0.00 0.00 54.79 57.09 1jf5 n ASP 525 Cb 0.00 0.03 -0.04 0.00 1.84 0.00 0.00 41.12 42.95 1jf5 n ASP 525 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1jf5 s GLN 526 N -3.13 4.58 -0.02 -1.24 0.74 -0.65 -4.78 119.66 115.17 1jf5 s GLN 526 Ca 0.08 1.65 0.03 0.00 0.05 0.00 0.00 55.36 57.17 1jf5 s GLN 526 Cb 0.14 -3.32 -0.00 0.00 1.10 0.00 0.00 33.01 30.93 1jf5 s GLN 526 CO 0.70 0.04 -0.10 -1.01 -0.55 0.00 0.00 175.29 174.36 1jf5 s HIS 527 N 0.12 0.99 -0.20 1.67 3.76 -1.26 -2.58 115.29 117.78 1jf5 s HIS 527 Ca 0.51 -0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 55.17 1jf5 s HIS 527 Cb -0.28 -0.67 0.06 0.00 1.11 0.00 0.00 32.58 32.81 1jf5 s HIS 527 CO 0.32 -0.06 0.03 0.08 -0.85 0.00 0.00 174.74 174.27 1jf5 s VAL 528 N -0.04 0.61 -0.24 -0.90 1.01 -0.62 -1.23 120.40 118.99 1jf5 s VAL 528 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1jf5 s VAL 528 Cb -0.06 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1jf5 s VAL 528 CO 0.00 -0.24 0.30 -0.83 0.00 0.00 0.00 175.10 174.34 1jf5 s GLY 529 N 1.82 1.99 -0.22 4.51 0.00 0.84 -1.53 107.32 114.73 1jf5 s GLY 529 Ca -0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 1jf5 s GLY 529 CO -0.09 0.71 0.12 0.14 0.00 0.00 0.00 173.10 173.98 1jf5 s VAL 530 N 1.46 5.10 -0.21 1.40 1.01 0.16 -1.17 120.40 128.15 1jf5 s VAL 530 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1jf5 s VAL 530 Cb -0.15 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1jf5 s VAL 530 CO 0.08 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1jf5 s VAL 531 N 0.83 2.70 -0.34 2.92 1.01 0.12 -1.08 120.40 126.56 1jf5 s VAL 531 Ca 0.06 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1jf5 s VAL 531 Cb -0.13 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1jf5 s VAL 531 CO 0.02 0.42 0.13 -0.76 0.00 0.00 0.00 175.10 174.92 1jf5 s LEU 532 N 1.36 4.37 -1.18 3.92 1.43 0.40 -1.12 118.68 127.86 1jf5 s LEU 532 Ca 0.04 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.01 1jf5 s LEU 532 Cb -0.14 -1.92 0.22 0.00 0.03 0.00 0.00 46.19 44.37 1jf5 s LEU 532 CO -0.08 -0.32 1.43 -3.20 0.23 0.00 0.00 176.35 174.41 1jf5 n ASN 533 N 4.88 5.42 -2.75 2.29 5.15 -0.70 -0.97 115.26 128.58 1jf5 n ASN 533 Ca -0.13 -3.07 -0.22 0.00 -0.60 0.00 0.00 54.58 50.57 1jf5 n ASN 533 Cb 0.46 -1.47 -0.07 0.00 -0.53 0.00 0.00 39.78 38.16 1jf5 n ASN 533 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1jf5 n ASN 534 N 4.04 5.91 -3.73 1.20 5.15 -1.17 -2.55 115.26 124.11 1jf5 n ASN 534 Ca 0.33 -2.39 -0.13 0.00 -0.60 0.00 0.00 54.58 51.78 1jf5 n ASN 534 Cb 0.39 -1.28 -0.10 0.00 -0.53 0.00 0.00 39.78 38.27 1jf5 n ASN 534 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1jf5 s ARG 535 N 2.12 0.48 -0.08 1.20 3.52 -1.26 -4.87 118.95 120.05 1jf5 s ARG 535 Ca 0.56 0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 56.66 1jf5 s ARG 535 Cb 0.20 0.23 -0.26 0.00 -1.56 0.00 0.00 34.95 33.56 1jf5 s ARG 535 CO -0.03 -0.06 3.59 0.41 -0.81 0.00 0.00 175.30 178.41 1jf5 n GLY 536 N 2.85 3.07 3.19 8.12 0.00 -1.26 -1.23 105.19 119.92 1jf5 n GLY 536 Ca -0.13 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1jf5 n GLY 536 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jf5 s GLU 537 N 1.04 0.35 -0.01 1.61 -6.30 -1.26 -4.83 118.70 109.30 1jf5 s GLU 537 Ca 0.67 0.49 -0.30 0.00 -2.50 0.00 0.00 54.97 53.33 1jf5 s GLU 537 Cb 0.31 0.12 -0.07 0.00 0.00 0.00 0.00 34.13 34.50 1jf5 s GLU 537 CO -0.00 -0.07 1.71 0.21 0.02 0.00 0.00 175.26 177.12 1jf5 s LYS 538 N 0.43 4.18 0.13 4.30 2.20 -1.26 -4.08 119.74 125.64 1jf5 s LYS 538 Ca -0.02 2.30 0.07 0.00 -0.36 0.00 0.00 55.97 57.95 1jf5 s LYS 538 Cb -0.04 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1jf5 s LYS 538 CO -0.02 -0.83 -0.16 -0.65 -0.36 0.00 0.00 175.35 173.33 1jf5 s GLN 539 N 3.75 1.09 -0.02 4.03 -0.21 -0.27 -4.98 119.66 123.06 1jf5 s GLN 539 Ca 0.76 -1.28 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1jf5 s GLN 539 Cb -0.36 -1.04 -0.03 0.00 1.00 0.00 0.00 33.01 32.57 1jf5 s GLN 539 CO 0.32 0.21 -0.09 0.99 -2.12 0.00 0.00 175.29 174.60 1jf5 s THR 540 N -2.05 3.52 0.01 -0.19 2.01 -1.26 -0.92 115.64 116.75 1jf5 s THR 540 Ca 0.10 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1jf5 s THR 540 Cb -0.05 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1jf5 s THR 540 CO 0.04 0.48 -0.02 0.54 -0.69 0.00 0.00 174.62 174.97 1jf5 s VAL 541 N -0.90 0.15 -0.39 3.82 0.11 -0.30 -5.00 120.40 117.89 1jf5 s VAL 541 Ca 0.15 -0.30 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1jf5 s VAL 541 Cb -0.11 -0.17 0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1jf5 s VAL 541 CO 0.04 -0.10 0.19 -0.22 -3.33 0.00 0.00 175.10 171.69 1jf5 s LEU 542 N -0.42 4.84 -0.06 2.54 2.96 -1.26 -1.48 118.68 125.81 1jf5 s LEU 542 Ca -0.03 -1.44 -0.08 0.00 -0.22 0.00 0.00 54.13 52.35 1jf5 s LEU 542 Cb -0.03 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1jf5 s LEU 542 CO -0.00 -0.46 0.23 -0.76 -1.32 0.00 0.00 176.35 174.04 1jf5 s LEU 543 N 1.37 4.40 -0.03 -0.68 1.43 0.34 -4.88 118.68 120.64 1jf5 s LEU 543 Ca 0.02 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.40 1jf5 s LEU 543 Cb -0.22 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1jf5 s LEU 543 CO 0.01 0.34 1.14 -1.10 0.23 0.00 0.00 176.35 176.97 1jf5 s GLN 544 N -1.30 4.41 -0.36 1.70 -1.52 -1.26 -0.83 119.66 120.49 1jf5 s GLN 544 Ca 0.21 1.61 0.00 0.00 -1.95 0.00 0.00 55.36 55.23 1jf5 s GLN 544 Cb -0.13 -3.50 0.14 0.00 -0.22 0.00 0.00 33.01 29.30 1jf5 s GLN 544 CO 0.10 -0.33 0.21 0.14 -0.25 0.00 0.00 175.29 175.16 1jf5 s VAL 545 N 1.78 0.38 0.07 1.09 -7.23 0.83 -4.92 120.40 112.40 1jf5 s VAL 545 Ca 0.55 -1.82 -0.34 0.00 -1.81 0.00 0.00 61.98 58.55 1jf5 s VAL 545 Cb -0.24 -1.29 -0.14 0.00 0.56 0.00 0.00 36.38 35.28 1jf5 s VAL 545 CO 0.24 -0.95 1.65 -0.81 -0.31 0.00 0.00 175.10 174.91 1jf5 n PRO 546 N 4.01 2.05 -0.02 4.82 -0.04 -1.26 -4.32 135.00 140.24 1jf5 n PRO 546 Ca 0.10 0.74 0.22 0.00 -0.04 0.00 0.00 63.50 64.53 1jf5 n PRO 546 Cb 0.37 -2.52 0.55 0.00 -0.04 0.00 0.00 33.50 31.86 1jf5 n PRO 546 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jf5 h GLU 547 N 6.78 0.00 -0.68 0.54 5.08 -1.93 -1.37 114.58 123.01 1jf5 h GLU 547 Ca -0.46 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1jf5 h GLU 547 Cb 1.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1jf5 h GLU 547 CO 0.90 0.00 0.45 0.66 -1.00 0.00 0.00 179.01 180.02 1jf5 h SER 548 N 0.00 0.69 -0.02 1.42 4.64 -2.05 -1.01 113.55 117.21 1jf5 h SER 548 Ca 0.31 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1jf5 h SER 548 Cb 2.01 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1jf5 h SER 548 CO -0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1jf5 n GLY 549 N -1.45 -0.76 0.00 -0.77 0.00 -0.52 -4.99 105.19 96.71 1jf5 n GLY 549 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jf5 n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jf5 n GLY 550 N 0.91 2.93 0.00 -0.02 0.00 -0.38 -4.92 105.19 103.71 1jf5 n GLY 550 Ca 0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1jf5 n GLY 550 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jf5 n LYS 551 N -1.44 4.34 -4.08 1.61 4.76 -1.26 -4.46 118.16 117.63 1jf5 n LYS 551 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1jf5 n LYS 551 Cb 0.00 -0.67 -0.15 0.00 -1.84 0.00 0.00 35.03 32.38 1jf5 n LYS 551 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jf5 s THR 552 N -1.32 0.31 0.11 -0.18 -4.23 -1.26 -3.27 115.64 105.79 1jf5 s THR 552 Ca 0.00 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 1jf5 s THR 552 Cb 0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.52 1jf5 s THR 552 CO 0.00 0.10 -0.16 0.26 -0.54 0.00 0.00 174.62 174.28 1jf5 s TRP 553 N 0.05 1.45 -0.08 3.99 0.51 -1.08 -4.62 118.94 119.16 1jf5 s TRP 553 Ca -0.00 -0.49 0.04 0.00 -2.12 0.00 0.00 56.10 53.53 1jf5 s TRP 553 Cb -0.03 -0.78 0.00 0.00 -0.81 0.00 0.00 33.47 31.85 1jf5 s TRP 553 CO -0.00 0.14 -0.21 -1.17 -0.51 0.00 0.00 176.95 175.20 1jf5 s LEU 554 N -2.14 1.99 -0.53 2.99 2.96 0.15 -1.96 118.68 122.14 1jf5 s LEU 554 Ca 0.05 -0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 1jf5 s LEU 554 Cb -0.08 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.40 1jf5 s LEU 554 CO 0.03 0.15 0.90 -0.62 -1.32 0.00 0.00 176.35 175.49 1jf5 s ASP 555 N 0.30 6.35 0.09 3.68 3.68 -0.65 -0.06 116.67 130.06 1jf5 s ASP 555 Ca -0.15 -0.35 0.08 0.00 2.13 0.00 0.00 52.55 54.27 1jf5 s ASP 555 Cb -0.16 -2.42 0.39 0.00 -1.45 0.00 0.00 42.92 39.27 1jf5 s ASP 555 CO 0.07 -1.15 1.23 0.00 0.13 0.00 0.00 175.17 175.45 1jf5 n LEU 557 N -1.72 0.48 0.00 0.00 4.77 -1.26 -4.54 117.00 114.73 1jf5 n LEU 557 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1jf5 n LEU 557 Cb 0.03 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jf5 n LEU 557 CO 0.04 -0.10 -0.24 0.35 -1.33 0.00 0.00 177.39 176.11 1jf5 n THR 558 N -2.49 0.00 -0.96 -5.08 -2.24 -0.74 -5.00 114.28 97.77 1jf5 n THR 558 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1jf5 n THR 558 Cb 0.56 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1jf5 n THR 558 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jf5 n GLY 559 N 1.38 0.75 3.75 3.38 0.00 0.10 -4.98 105.19 109.58 1jf5 n GLY 559 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jf5 n GLY 559 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jf5 s GLU 560 N -0.15 4.46 -0.19 1.61 2.12 -1.25 -4.79 118.70 120.51 1jf5 s GLU 560 Ca 0.00 1.99 -0.09 0.00 0.36 0.00 0.00 54.97 57.23 1jf5 s GLU 560 Cb 0.00 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1jf5 s GLU 560 CO 0.00 -0.10 0.11 -2.00 -0.54 0.00 0.00 175.26 172.73 1jf5 s GLU 561 N -0.77 4.08 -0.05 4.30 2.12 -1.26 -1.63 118.70 125.49 1jf5 s GLU 561 Ca 0.52 -0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.66 1jf5 s GLU 561 Cb -0.35 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1jf5 s GLU 561 CO 0.41 0.32 -0.25 0.14 -0.54 0.00 0.00 175.26 175.35 1jf5 s VAL 562 N 0.27 2.02 0.12 3.70 -7.23 -0.83 -5.02 120.40 113.44 1jf5 s VAL 562 Ca 0.07 -1.05 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1jf5 s VAL 562 Cb -0.11 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1jf5 s VAL 562 CO -0.01 0.56 -0.05 -1.00 -0.31 0.00 0.00 175.10 174.29 1jf5 s HIS 563 N -0.22 2.81 -0.00 2.82 0.09 -1.26 -2.62 115.29 116.91 1jf5 s HIS 563 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 55.06 54.92 1jf5 s HIS 563 Cb -0.13 -1.43 -0.04 0.00 -0.00 0.00 0.00 32.58 30.98 1jf5 s HIS 563 CO 0.03 0.47 0.05 0.20 -0.00 0.00 0.00 174.74 175.49 1jf5 s GLY 564 N -2.46 1.96 -0.10 -2.22 0.00 -1.20 -4.44 107.32 98.86 1jf5 s GLY 564 Ca 0.24 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1jf5 s GLY 564 CO 0.16 -0.78 -0.12 -1.59 0.00 0.00 0.00 173.10 170.77 1jf5 s LYS 565 N -1.66 1.88 -1.32 2.90 -2.85 0.84 -4.80 119.74 114.73 1jf5 s LYS 565 Ca 0.21 -0.43 -0.05 0.00 -1.00 0.00 0.00 55.97 54.70 1jf5 s LYS 565 Cb -0.12 -1.66 -0.00 0.00 -2.06 0.00 0.00 37.83 33.99 1jf5 s LYS 565 CO 0.12 -0.10 0.56 1.04 0.10 0.00 0.00 175.35 177.08 1jf5 n GLN 566 N 4.30 -3.08 -1.19 1.78 6.02 -1.26 -1.45 117.38 122.49 1jf5 n GLN 566 Ca -0.19 0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 57.19 1jf5 n GLN 566 Cb 0.51 -4.54 -0.03 0.00 1.02 0.00 0.00 30.24 27.20 1jf5 n GLN 566 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jf5 n GLY 567 N -1.84 0.87 3.02 1.08 0.00 -1.26 -4.99 105.19 102.08 1jf5 n GLY 567 Ca -0.26 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1jf5 n GLY 567 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jf5 s GLN 568 N -2.31 0.47 -0.16 1.61 -0.21 -0.53 -0.12 119.66 118.40 1jf5 s GLN 568 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1jf5 s GLN 568 Cb 0.00 -0.28 0.02 0.00 1.00 0.00 0.00 33.01 33.75 1jf5 s GLN 568 CO 0.00 0.06 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.54 1jf5 s LEU 569 N -1.15 1.94 -0.26 2.90 1.02 -0.01 -0.11 118.68 123.00 1jf5 s LEU 569 Ca -0.07 -0.57 -0.13 0.00 0.02 0.00 0.00 54.13 53.37 1jf5 s LEU 569 Cb -0.08 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 1jf5 s LEU 569 CO 0.00 -0.01 0.29 -0.75 0.02 0.00 0.00 176.35 175.90 1jf5 s LYS 570 N 1.29 4.01 0.02 1.70 2.20 -1.26 -0.50 119.74 127.20 1jf5 s LYS 570 Ca 0.03 -0.10 0.07 0.00 -0.36 0.00 0.00 55.97 55.61 1jf5 s LYS 570 Cb -0.13 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1jf5 s LYS 570 CO -0.10 -0.19 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.97 1jf5 s LEU 571 N 1.80 2.11 -0.19 5.43 1.43 -0.55 -4.91 118.68 123.81 1jf5 s LEU 571 Ca 0.12 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1jf5 s LEU 571 Cb -0.16 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1jf5 s LEU 571 CO 0.10 0.22 -0.16 -0.89 0.23 0.00 0.00 176.35 175.84 1jf5 s THR 572 N -0.68 1.91 -0.13 5.49 2.01 -1.26 -1.15 115.64 121.84 1jf5 s THR 572 Ca 0.08 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1jf5 s THR 572 Cb -0.09 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 1jf5 s THR 572 CO 0.01 0.41 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 1jf5 s LEU 573 N 1.32 2.92 1.04 4.42 2.01 -0.09 -4.97 118.68 125.33 1jf5 s LEU 573 Ca 0.03 -0.24 -0.16 0.00 0.01 0.00 0.00 54.13 53.77 1jf5 s LEU 573 Cb -0.14 -1.67 0.22 0.00 0.01 0.00 0.00 46.19 44.61 1jf5 s LEU 573 CO -0.11 0.19 1.19 -0.13 1.01 0.00 0.00 176.35 178.50 1jf5 s ARG 574 N 0.22 0.04 -0.02 1.70 0.52 -1.26 -1.11 118.95 119.04 1jf5 s ARG 574 Ca -0.06 -0.09 -0.36 0.00 -0.52 0.00 0.00 55.73 54.69 1jf5 s ARG 574 Cb -0.15 -1.75 -0.15 0.00 0.52 0.00 0.00 34.95 33.43 1jf5 s ARG 574 CO 0.04 -2.86 1.62 -2.30 0.02 0.00 0.00 175.30 171.81 1jf5 n PRO 575 N -4.15 1.64 -2.35 3.54 -0.02 -1.26 -2.04 135.00 130.36 1jf5 n PRO 575 Ca 0.12 0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1jf5 n PRO 575 Cb 0.59 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1jf5 n PRO 575 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jf5 n TYR 576 N 4.33 -1.14 -3.06 6.00 0.53 -0.37 -4.89 117.16 118.56 1jf5 n TYR 576 Ca 0.21 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.78 1jf5 n TYR 576 Cb 0.23 -3.34 -0.05 0.00 -1.03 0.00 0.00 39.34 35.15 1jf5 n TYR 576 CO 0.00 0.00 0.00 -1.14 -1.02 0.00 0.00 176.86 174.70 1jf5 s GLN 577 N -4.92 3.87 -0.02 -0.72 0.74 -0.87 -4.58 119.66 113.17 1jf5 s GLN 577 Ca 0.00 0.51 0.04 0.00 0.05 0.00 0.00 55.36 55.97 1jf5 s GLN 577 Cb 0.00 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.66 1jf5 s GLN 577 CO 0.00 0.09 -0.15 0.20 -0.55 0.00 0.00 175.29 174.88 1jf5 s GLY 578 N -2.69 0.78 -0.00 2.59 0.00 -1.26 -1.72 107.32 105.01 1jf5 s GLY 578 Ca 0.52 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.65 1jf5 s GLY 578 CO 0.24 -0.47 -0.18 1.06 0.00 0.00 0.00 173.10 173.75 1jf5 s MET 579 N -0.22 2.24 -0.47 2.90 -1.94 -0.28 -4.94 119.30 116.59 1jf5 s MET 579 Ca 0.03 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.18 1jf5 s MET 579 Cb -0.07 -2.23 0.13 0.00 2.01 0.00 0.00 34.83 34.66 1jf5 s MET 579 CO 0.00 0.57 0.23 0.42 -0.01 0.00 0.00 175.02 176.24 1jf5 s ILE 580 N -0.80 2.09 -0.34 2.53 1.01 -1.26 -0.71 121.20 123.72 1jf5 s ILE 580 Ca 0.13 -2.92 -0.18 0.00 0.00 0.00 0.00 60.65 57.67 1jf5 s ILE 580 Cb -0.10 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1jf5 s ILE 580 CO 0.02 -0.81 0.52 -0.76 0.00 0.00 0.00 174.94 173.91 1jf5 s LEU 581 N 0.08 4.31 -0.14 2.97 1.43 -0.32 0.08 118.68 127.09 1jf5 s LEU 581 Ca 0.17 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1jf5 s LEU 581 Cb -0.25 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1jf5 s LEU 581 CO -0.01 -0.47 0.22 0.86 0.23 0.00 0.00 176.35 177.18 1jf5 s TRP 582 N 2.41 3.53 -1.90 0.29 -0.00 0.92 -0.12 118.94 124.07 1jf5 s TRP 582 Ca 0.19 0.56 0.00 0.00 -0.00 0.00 0.00 56.10 56.86 1jf5 s TRP 582 Cb -0.15 -2.17 0.01 0.00 -0.00 0.00 0.00 33.47 31.16 1jf5 s TRP 582 CO 0.13 0.46 0.96 0.27 -0.00 0.00 0.00 176.95 178.77 1jf5 n ASN 583 N 2.84 0.16 0.00 5.86 6.94 -0.36 -0.67 115.26 130.02 1jf5 n ASN 583 Ca -0.16 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1jf5 n ASN 583 Cb 0.53 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1jf5 n ASN 583 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jf5 n GLY 584 N 0.47 0.32 0.29 4.83 0.00 -1.26 -4.91 105.19 104.93 1jf5 n GLY 584 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1jf5 n GLY 584 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86