#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s ARG 2 N 0.00 2.99 0.37 1.61 0.52 -0.18 -5.05 118.95 119.20 1jj2 s ARG 2 Ca 0.00 -1.07 -0.28 0.00 -0.52 0.00 0.00 55.73 53.86 1jj2 s ARG 2 Cb 0.00 -2.63 -0.10 0.00 0.52 0.00 0.00 34.95 32.74 1jj2 s ARG 2 CO 0.00 0.26 1.36 1.03 0.02 0.00 0.00 175.30 177.97 1jj2 s ARG 3 N -3.96 4.16 0.62 3.54 1.81 -1.26 -4.78 118.95 119.07 1jj2 s ARG 3 Ca 0.37 2.31 -0.10 0.00 -1.72 0.00 0.00 55.73 56.60 1jj2 s ARG 3 Cb -0.08 -2.95 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 1jj2 s ARG 3 CO 0.27 -0.38 1.00 0.96 -0.68 0.00 0.00 175.30 176.46 1jj2 s ILE 4 N -1.17 4.28 0.29 1.52 -4.36 -1.26 -4.85 121.20 115.65 1jj2 s ILE 4 Ca 0.52 0.56 0.04 0.00 -0.26 0.00 0.00 60.65 61.52 1jj2 s ILE 4 Cb -0.41 -3.71 0.29 0.00 1.25 0.00 0.00 42.46 39.87 1jj2 s ILE 4 CO 0.55 -0.88 1.70 -0.61 0.24 0.00 0.00 174.94 175.93 1jj2 h GLN 5 N -0.31 0.39 -0.02 0.37 4.15 -1.94 0.36 115.11 118.11 1jj2 h GLN 5 Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1jj2 h GLN 5 Cb 1.22 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1jj2 h GLN 5 CO 0.62 0.26 0.05 0.78 -1.93 0.00 0.00 178.83 178.61 1jj2 h GLY 6 N 0.40 0.00 1.16 2.39 0.00 -1.99 -0.74 103.07 104.29 1jj2 h GLY 6 Ca 0.56 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.60 1jj2 h GLY 6 CO -0.53 0.00 -1.59 1.46 0.00 0.00 0.00 176.54 175.88 1jj2 h GLN 7 N 0.00 0.12 -0.33 4.80 4.20 -0.64 -3.30 115.11 119.96 1jj2 h GLN 7 Ca 0.01 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1jj2 h GLN 7 Cb 0.10 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1jj2 h GLN 7 CO -0.00 0.87 0.00 0.00 -0.67 0.00 0.00 178.83 179.03 1jj2 h ARG 8 N 0.03 0.51 -0.13 1.46 -0.00 -0.80 -3.20 114.38 112.25 1jj2 h ARG 8 Ca -0.25 -0.10 0.05 0.00 -0.50 0.00 0.00 59.98 59.17 1jj2 h ARG 8 Cb 1.98 -0.08 -0.06 0.00 0.00 0.00 0.00 29.97 31.81 1jj2 h ARG 8 CO 0.12 0.53 -0.36 0.00 0.00 0.00 0.00 179.97 180.26 1jj2 h ARG 9 N 0.49 -0.42 -0.68 0.04 3.08 -1.48 -2.84 114.38 112.56 1jj2 h ARG 9 Ca 0.11 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.38 1jj2 h ARG 9 Cb 0.31 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1jj2 h ARG 9 CO 0.01 -0.28 0.55 0.78 -1.07 0.00 0.00 179.97 179.96 1jj2 h GLY 10 N -0.43 0.00 2.00 0.04 0.00 -1.68 -1.48 103.07 101.52 1jj2 h GLY 10 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1jj2 h GLY 10 CO -0.37 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.71 1jj2 n ARG 11 N -4.09 0.07 -2.27 4.80 1.74 -1.07 -4.85 116.66 110.99 1jj2 n ARG 11 Ca 0.14 0.48 -0.15 0.00 -0.77 0.00 0.00 57.85 57.55 1jj2 n ARG 11 Cb 0.81 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 1jj2 n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 12 N -0.91 -0.23 3.77 -0.13 0.00 -0.56 -5.01 105.19 102.13 1jj2 n GLY 12 Ca 0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1jj2 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj2 s THR 13 N -2.74 2.63 0.23 2.61 -4.23 -1.26 -4.73 115.64 108.15 1jj2 s THR 13 Ca 0.00 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 1jj2 s THR 13 Cb 0.00 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.24 1jj2 s THR 13 CO 0.00 -0.27 1.59 -1.28 -0.54 0.00 0.00 174.62 174.12 1jj2 h SER 14 N -1.35 -0.95 -0.95 3.99 0.87 -1.95 -0.50 113.55 112.70 1jj2 h SER 14 Ca -0.49 0.25 0.23 0.00 -1.23 0.00 0.00 61.79 60.55 1jj2 h SER 14 Cb 1.29 0.56 -0.07 0.00 -0.44 0.00 0.00 62.40 63.74 1jj2 h SER 14 CO 0.59 -0.28 0.63 0.74 -0.53 0.00 0.00 176.83 177.98 1jj2 h THR 15 N -0.04 0.62 -0.00 2.23 2.02 -1.99 -2.24 112.91 113.51 1jj2 h THR 15 Ca 0.35 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1jj2 h THR 15 Cb 0.59 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1jj2 h THR 15 CO -0.83 0.07 -0.84 0.49 0.37 0.00 0.00 175.52 174.78 1jj2 n PHE 16 N -4.52 0.00 -2.27 3.16 3.01 -0.23 -4.42 117.46 112.18 1jj2 n PHE 16 Ca 0.21 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.35 1jj2 n PHE 16 Cb 0.77 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 40.17 1jj2 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jj2 s ARG 17 N -2.95 3.81 0.32 -1.08 0.52 -0.85 -3.98 118.95 114.73 1jj2 s ARG 17 Ca 0.10 0.96 -0.21 0.00 -0.52 0.00 0.00 55.73 56.06 1jj2 s ARG 17 Cb 0.17 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.43 1jj2 s ARG 17 CO 0.81 -0.39 0.84 0.00 0.02 0.00 0.00 175.30 176.58 1jj2 s ALA 18 N -2.68 3.25 -0.91 2.13 0.00 -1.26 -4.32 121.76 117.97 1jj2 s ALA 18 Ca 0.59 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 1jj2 s ALA 18 Cb -0.11 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1jj2 s ALA 18 CO 0.35 0.24 2.32 -0.35 0.00 0.00 0.00 175.76 178.32 1jj2 n PRO 19 N 0.20 2.25 -0.32 0.00 -0.04 -1.26 -4.70 135.00 131.12 1jj2 n PRO 19 Ca 0.02 -1.47 0.22 0.00 -0.04 0.00 0.00 63.50 62.23 1jj2 n PRO 19 Cb 0.52 -2.42 0.43 0.00 -0.04 0.00 0.00 33.50 31.99 1jj2 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jj2 h SER 20 N 5.76 0.07 0.18 3.54 0.02 -1.96 0.40 113.55 121.56 1jj2 h SER 20 Ca 0.51 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.70 1jj2 h SER 20 Cb 0.30 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1jj2 h SER 20 CO 1.34 -0.31 0.00 0.00 -1.14 0.00 0.00 176.83 176.72 1jj2 n HIS 21 N -5.28 0.67 1.03 3.45 1.44 -1.26 -0.93 115.22 114.34 1jj2 n HIS 21 Ca 0.30 0.33 0.12 0.00 -2.01 0.00 0.00 57.72 56.45 1jj2 n HIS 21 Cb 0.97 -1.02 0.07 0.00 0.12 0.00 0.00 29.99 30.13 1jj2 n HIS 21 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1jj2 n ARG 22 N -2.17 1.52 -2.54 -1.40 0.63 0.14 -4.96 116.66 107.88 1jj2 n ARG 22 Ca -0.00 -1.23 -0.31 0.00 -0.92 0.00 0.00 57.85 55.39 1jj2 n ARG 22 Cb 0.08 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.48 1jj2 n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1jj2 s TYR 23 N -2.33 3.47 -0.04 -0.14 4.12 -0.11 -4.90 117.35 117.42 1jj2 s TYR 23 Ca 0.22 1.29 -0.02 0.00 0.02 0.00 0.00 57.07 58.58 1jj2 s TYR 23 Cb 0.19 -2.65 -0.01 0.00 -1.52 0.00 0.00 41.96 37.97 1jj2 s TYR 23 CO 0.48 -0.29 -0.05 0.87 0.02 0.00 0.00 175.55 176.59 1jj2 h LYS 24 N 0.97 0.00 -3.87 -0.62 1.57 -1.93 -3.50 116.57 109.18 1jj2 h LYS 24 Ca -0.47 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 1jj2 h LYS 24 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.33 1jj2 h LYS 24 CO 0.62 0.00 -0.54 0.00 -0.57 0.00 0.00 179.45 178.97 1jj2 s ALA 25 N -2.90 0.01 -0.84 3.86 0.00 -1.26 -5.09 121.76 115.53 1jj2 s ALA 25 Ca -0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 1jj2 s ALA 25 Cb 0.01 0.27 0.16 0.00 0.00 0.00 0.00 23.12 23.56 1jj2 s ALA 25 CO 0.06 -0.34 0.94 0.34 0.00 0.00 0.00 175.76 176.76 1jj2 s ASP 26 N -2.29 6.61 -0.30 0.00 -1.08 -1.26 -5.00 116.67 113.36 1jj2 s ASP 26 Ca -0.03 -2.18 -0.30 0.00 -0.52 0.00 0.00 52.55 49.53 1jj2 s ASP 26 Cb 0.00 -2.32 -0.07 0.00 -1.46 0.00 0.00 42.92 39.07 1jj2 s ASP 26 CO -0.06 -0.90 2.25 0.18 0.52 0.00 0.00 175.17 177.16 1jj2 n LEU 27 N 5.61 2.81 -3.85 -1.34 4.77 -1.26 -4.95 117.00 118.78 1jj2 n LEU 27 Ca 0.15 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1jj2 n LEU 27 Cb 0.47 -1.47 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 1jj2 n LEU 27 CO 0.45 -0.80 -0.21 -1.61 -1.33 0.00 0.00 177.39 173.89 1jj2 s GLU 28 N 6.59 0.28 0.42 3.23 2.02 -1.26 -4.88 118.70 125.10 1jj2 s GLU 28 Ca 1.04 -0.08 -0.26 0.00 0.02 0.00 0.00 54.97 55.68 1jj2 s GLU 28 Cb -0.47 0.12 -0.09 0.00 0.10 0.00 0.00 34.13 33.79 1jj2 s GLU 28 CO 0.38 -0.05 1.45 -1.01 0.02 0.00 0.00 175.26 176.04 1jj2 s HIS 29 N -0.55 2.52 0.73 1.61 3.76 -0.66 -4.96 115.29 117.74 1jj2 s HIS 29 Ca -0.06 1.23 -0.13 0.00 -0.15 0.00 0.00 55.06 55.94 1jj2 s HIS 29 Cb -0.04 -3.96 0.04 0.00 1.11 0.00 0.00 32.58 29.73 1jj2 s HIS 29 CO 0.01 -2.94 1.12 1.03 -0.85 0.00 0.00 174.74 173.11 1jj2 s ARG 30 N -2.30 2.35 -0.18 1.40 0.52 -1.26 -4.75 118.95 114.73 1jj2 s ARG 30 Ca 0.58 1.40 -0.14 0.00 -0.52 0.00 0.00 55.73 57.04 1jj2 s ARG 30 Cb -0.45 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1jj2 s ARG 30 CO 0.59 -1.60 0.33 0.15 0.02 0.00 0.00 175.30 174.78 1jj2 s LYS 31 N -4.37 4.22 -0.12 3.54 1.02 -1.26 -5.07 119.74 117.71 1jj2 s LYS 31 Ca 0.66 0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1jj2 s LYS 31 Cb -0.21 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1jj2 s LYS 31 CO 0.48 0.12 -0.20 0.08 -0.92 0.00 0.00 175.35 174.91 1jj2 s VAL 32 N 0.82 2.36 0.15 3.17 1.01 -1.26 -5.01 120.40 121.65 1jj2 s VAL 32 Ca 0.17 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 1jj2 s VAL 32 Cb -0.14 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1jj2 s VAL 32 CO 0.06 0.55 1.65 -0.33 0.00 0.00 0.00 175.10 177.02 1jj2 h GLU 33 N 6.83 -0.15 0.00 2.72 3.07 -1.99 -3.48 114.58 121.58 1jj2 h GLU 33 Ca -0.23 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1jj2 h GLU 33 Cb 1.22 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1jj2 h GLU 33 CO 0.51 -0.10 0.00 -3.47 -1.40 0.00 0.00 179.01 174.55 1jj2 n ASP 34 N -5.35 0.00 0.00 1.42 -0.08 -1.26 -5.04 116.55 106.25 1jj2 n ASP 34 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jj2 n ASP 34 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1jj2 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jj2 n GLY 35 N -0.95 2.40 2.73 0.27 0.00 -1.26 -4.48 105.19 103.90 1jj2 n GLY 35 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1jj2 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jj2 n ASP 36 N 1.12 0.00 -0.45 1.61 2.03 -1.26 -4.47 116.55 115.13 1jj2 n ASP 36 Ca 0.00 0.00 0.35 0.00 0.52 0.00 0.00 54.79 55.66 1jj2 n ASP 36 Cb 0.00 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 40.94 1jj2 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1jj2 n VAL 37 N -2.00 0.00 -1.62 5.18 0.24 -1.26 -4.30 118.33 114.57 1jj2 n VAL 37 Ca 0.00 1.05 -0.47 0.00 -2.04 0.00 0.00 64.34 62.88 1jj2 n VAL 37 Cb 0.00 -1.78 -0.05 0.00 -1.47 0.00 0.00 33.84 30.55 1jj2 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1jj2 n ILE 38 N -3.26 0.48 -4.13 1.34 2.08 -1.26 -4.95 119.36 109.66 1jj2 n ILE 38 Ca 0.30 -0.21 -0.09 0.00 0.56 0.00 0.00 62.75 63.31 1jj2 n ILE 38 Cb 1.41 -2.02 -0.10 0.00 -0.75 0.00 0.00 39.64 38.18 1jj2 n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jj2 s ALA 39 N 5.57 0.72 0.32 -1.39 0.00 -1.26 -1.19 121.76 124.53 1jj2 s ALA 39 Ca 0.97 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1jj2 s ALA 39 Cb -0.63 0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1jj2 s ALA 39 CO 0.47 -0.40 0.58 0.20 0.00 0.00 0.00 175.76 176.62 1jj2 s GLY 40 N -2.99 0.77 -0.05 0.00 0.00 -0.35 -1.36 107.32 103.33 1jj2 s GLY 40 Ca 0.14 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.90 1jj2 s GLY 40 CO -0.05 -0.62 -0.22 -1.59 0.00 0.00 0.00 173.10 170.62 1jj2 s THR 41 N -3.20 1.85 -0.03 0.90 2.01 0.49 -1.54 115.64 116.11 1jj2 s THR 41 Ca 0.22 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1jj2 s THR 41 Cb -0.02 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.86 1jj2 s THR 41 CO 0.13 0.52 1.56 -0.69 -0.69 0.00 0.00 174.62 175.46 1jj2 s VAL 42 N -0.08 3.56 -0.07 3.82 1.01 -0.25 -1.34 120.40 127.06 1jj2 s VAL 42 Ca -0.04 0.82 0.19 0.00 0.00 0.00 0.00 61.98 62.95 1jj2 s VAL 42 Cb -0.13 -3.53 -0.29 0.00 0.00 0.00 0.00 36.38 32.43 1jj2 s VAL 42 CO 0.03 -0.04 0.34 0.52 0.00 0.00 0.00 175.10 175.96 1jj2 n VAL 43 N 5.14 0.31 -3.61 2.92 0.31 0.88 -1.35 118.33 122.93 1jj2 n VAL 43 Ca 0.16 -0.54 -0.04 0.00 -0.01 0.00 0.00 64.34 63.92 1jj2 n VAL 43 Cb 0.43 -0.09 -0.01 0.00 -0.91 0.00 0.00 33.84 33.25 1jj2 n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jj2 s ASP 44 N -4.53 -0.18 -0.13 4.52 2.15 -1.19 -4.92 116.67 112.38 1jj2 s ASP 44 Ca -0.08 -0.11 0.02 0.00 0.43 0.00 0.00 52.55 52.81 1jj2 s ASP 44 Cb 0.11 0.27 0.01 0.00 -0.30 0.00 0.00 42.92 43.01 1jj2 s ASP 44 CO 0.81 -0.46 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.53 1jj2 s ILE 45 N -2.74 1.83 0.35 4.11 -1.09 -1.26 -0.50 121.20 121.89 1jj2 s ILE 45 Ca 0.10 -0.83 0.07 0.00 -2.23 0.00 0.00 60.65 57.76 1jj2 s ILE 45 Cb 0.00 -1.64 -0.07 0.00 -1.58 0.00 0.00 42.46 39.18 1jj2 s ILE 45 CO -0.04 0.50 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.53 1jj2 s GLU 46 N 0.98 1.78 0.03 2.79 2.02 0.14 -4.93 118.70 121.51 1jj2 s GLU 46 Ca -0.05 -1.95 -0.21 0.00 0.02 0.00 0.00 54.97 52.78 1jj2 s GLU 46 Cb -0.15 -1.45 -0.06 0.00 0.10 0.00 0.00 34.13 32.58 1jj2 s GLU 46 CO -0.04 0.02 0.62 -1.58 0.02 0.00 0.00 175.26 174.30 1jj2 s HIS 47 N -2.82 3.74 -0.40 1.61 5.65 -1.26 0.74 115.29 122.54 1jj2 s HIS 47 Ca 0.33 1.28 -0.14 0.00 0.25 0.00 0.00 55.06 56.78 1jj2 s HIS 47 Cb 0.06 -2.61 0.02 0.00 -1.18 0.00 0.00 32.58 28.87 1jj2 s HIS 47 CO 0.16 0.42 0.27 0.34 -0.65 0.00 0.00 174.74 175.28 1jj2 s ASP 48 N -0.49 6.00 0.53 9.88 -1.08 0.26 -4.84 116.67 126.93 1jj2 s ASP 48 Ca 0.32 -0.89 0.36 0.00 -0.52 0.00 0.00 52.55 51.81 1jj2 s ASP 48 Cb -0.19 -2.12 1.80 0.00 -1.46 0.00 0.00 42.92 40.95 1jj2 s ASP 48 CO 0.19 -0.42 2.08 -0.65 0.52 0.00 0.00 175.17 176.89 1jj2 h PRO 49 N 8.57 0.00 -0.00 4.34 0.11 -1.90 0.30 132.00 143.41 1jj2 h PRO 49 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jj2 h PRO 49 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jj2 h PRO 49 CO 0.71 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 177.87 1jj2 n ALA 50 N -1.99 3.85 -0.63 -0.75 0.00 -1.26 -4.44 120.51 115.29 1jj2 n ALA 50 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1jj2 n ALA 50 Cb 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1jj2 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jj2 n ARG 51 N -1.47 -0.14 -3.56 0.00 1.74 -0.80 -5.01 116.66 107.41 1jj2 n ARG 51 Ca 0.05 -0.15 -0.26 0.00 -0.77 0.00 0.00 57.85 56.72 1jj2 n ARG 51 Cb 0.33 -0.62 0.01 0.00 -1.02 0.00 0.00 32.46 31.16 1jj2 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1jj2 n SER 52 N -0.02 -4.39 -3.94 0.55 7.64 0.03 -4.75 113.62 108.74 1jj2 n SER 52 Ca 0.00 -0.55 -0.09 0.00 1.01 0.00 0.00 58.87 59.25 1jj2 n SER 52 Cb 0.16 -3.56 -0.09 0.00 -1.01 0.00 0.00 64.21 59.70 1jj2 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jj2 s ALA 53 N -3.11 0.02 0.73 -0.43 0.00 -1.24 -4.97 121.76 112.77 1jj2 s ALA 53 Ca 0.50 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1jj2 s ALA 53 Cb -0.26 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1jj2 s ALA 53 CO 0.62 -0.39 1.08 -1.25 0.00 0.00 0.00 175.76 175.81 1jj2 s PRO 54 N -3.33 2.56 0.00 0.00 0.04 -1.26 -0.58 135.00 132.44 1jj2 s PRO 54 Ca 0.01 1.10 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 1jj2 s PRO 54 Cb 0.03 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1jj2 s PRO 54 CO -0.08 -1.40 0.18 0.54 0.04 0.00 0.00 177.00 176.28 1jj2 s VAL 55 N -2.92 0.08 -0.12 -0.36 0.11 0.23 -4.25 120.40 113.17 1jj2 s VAL 55 Ca 0.60 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1jj2 s VAL 55 Cb -0.16 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1jj2 s VAL 55 CO 0.54 -0.37 -0.05 0.00 -3.33 0.00 0.00 175.10 171.90 1jj2 s ALA 56 N -1.46 3.00 -0.14 1.54 0.00 -0.58 0.23 121.76 124.34 1jj2 s ALA 56 Ca -0.14 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1jj2 s ALA 56 Cb -0.07 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1jj2 s ALA 56 CO 0.02 0.36 0.68 0.00 0.00 0.00 0.00 175.76 176.82 1jj2 s ALA 57 N -0.12 3.47 -0.02 0.00 0.00 0.34 0.73 121.76 126.16 1jj2 s ALA 57 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1jj2 s ALA 57 Cb -0.13 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1jj2 s ALA 57 CO 0.03 -0.38 -0.16 0.08 0.00 0.00 0.00 175.76 175.32 1jj2 s VAL 58 N 1.49 1.30 -0.28 0.00 1.01 -0.64 -0.08 120.40 123.20 1jj2 s VAL 58 Ca 0.33 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1jj2 s VAL 58 Cb -0.16 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1jj2 s VAL 58 CO 0.13 0.37 0.09 -1.61 0.00 0.00 0.00 175.10 174.08 1jj2 s GLU 59 N -0.33 3.36 0.29 2.72 2.02 -0.45 -1.75 118.70 124.56 1jj2 s GLU 59 Ca 0.05 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1jj2 s GLU 59 Cb -0.07 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.71 1jj2 s GLU 59 CO -0.00 -0.34 0.60 -0.06 0.02 0.00 0.00 175.26 175.48 1jj2 s PHE 60 N 1.57 3.45 0.24 1.61 0.40 0.23 -0.38 117.98 125.10 1jj2 s PHE 60 Ca 0.05 0.83 -0.12 0.00 -0.60 0.00 0.00 56.93 57.09 1jj2 s PHE 60 Cb -0.16 -2.25 0.33 0.00 0.51 0.00 0.00 43.02 41.45 1jj2 s PHE 60 CO 0.04 0.16 1.58 0.93 0.70 0.00 0.00 175.22 178.62 1jj2 h GLU 61 N 1.98 -0.02 -1.50 0.44 5.08 -1.52 0.26 114.58 119.30 1jj2 h GLU 61 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1jj2 h GLU 61 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jj2 h GLU 61 CO 0.67 -0.01 0.00 -0.40 -1.00 0.00 0.00 179.01 178.27 1jj2 n ASP 62 N -5.53 3.46 0.00 1.42 5.75 -1.26 -4.79 116.55 115.59 1jj2 n ASP 62 Ca 0.12 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1jj2 n ASP 62 Cb 0.42 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1jj2 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jj2 n GLY 63 N 0.99 2.56 3.73 6.12 0.00 0.08 -4.99 105.19 113.68 1jj2 n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jj2 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jj2 s ASP 64 N -1.21 6.53 -0.26 1.61 1.01 -1.24 -4.70 116.67 118.40 1jj2 s ASP 64 Ca 0.00 2.73 0.02 0.00 0.71 0.00 0.00 52.55 56.01 1jj2 s ASP 64 Cb 0.00 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1jj2 s ASP 64 CO 0.00 -0.84 -0.10 -0.60 0.21 0.00 0.00 175.17 173.84 1jj2 s ARG 65 N 0.58 2.28 0.03 8.23 6.06 -1.26 0.76 118.95 135.63 1jj2 s ARG 65 Ca 0.68 -1.33 0.01 0.00 -2.50 0.00 0.00 55.73 52.59 1jj2 s ARG 65 Cb -0.45 -2.91 -0.02 0.00 0.06 0.00 0.00 34.95 31.63 1jj2 s ARG 65 CO 0.36 -0.57 -0.05 1.03 -2.50 0.00 0.00 175.30 173.58 1jj2 s ARG 66 N 1.12 0.39 0.44 5.12 0.52 -0.72 -4.98 118.95 120.85 1jj2 s ARG 66 Ca -0.08 -0.62 -0.21 0.00 -0.52 0.00 0.00 55.73 54.29 1jj2 s ARG 66 Cb -0.20 -0.09 -0.10 0.00 0.52 0.00 0.00 34.95 35.08 1jj2 s ARG 66 CO -0.05 0.00 0.98 -0.51 0.02 0.00 0.00 175.30 175.74 1jj2 s LEU 67 N -1.38 3.93 0.05 2.53 1.43 -1.26 -1.62 118.68 122.36 1jj2 s LEU 67 Ca -0.12 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1jj2 s LEU 67 Cb -0.09 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.59 1jj2 s LEU 67 CO -0.00 -0.47 -0.14 -0.63 0.23 0.00 0.00 176.35 175.34 1jj2 s ILE 68 N -2.09 1.07 -0.47 -0.59 1.01 0.22 -4.75 121.20 115.60 1jj2 s ILE 68 Ca 0.63 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 1jj2 s ILE 68 Cb -0.12 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1jj2 s ILE 68 CO 0.16 -0.06 1.80 -0.22 0.00 0.00 0.00 174.94 176.61 1jj2 s LEU 69 N -1.27 3.41 -0.11 2.97 2.96 -1.26 -1.52 118.68 123.85 1jj2 s LEU 69 Ca 0.00 0.80 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 1jj2 s LEU 69 Cb -0.08 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 1jj2 s LEU 69 CO 0.01 -2.02 0.87 0.00 -1.32 0.00 0.00 176.35 173.90 1jj2 s ALA 70 N 7.87 3.41 0.80 5.97 0.00 -1.26 -4.92 121.76 133.64 1jj2 s ALA 70 Ca 0.72 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1jj2 s ALA 70 Cb -0.17 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.79 1jj2 s ALA 70 CO 0.27 -0.50 1.15 -2.14 0.00 0.00 0.00 175.76 174.55 1jj2 s PRO 71 N 1.75 1.81 0.44 0.00 0.02 -1.26 -1.76 135.00 136.00 1jj2 s PRO 71 Ca 0.42 -0.11 -0.23 0.00 0.02 0.00 0.00 61.00 61.11 1jj2 s PRO 71 Cb -0.18 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 1jj2 s PRO 71 CO 0.17 -1.63 1.12 -2.00 -0.33 0.00 0.00 177.00 174.33 1jj2 s GLU 72 N -5.53 3.88 0.00 5.54 2.12 0.14 -3.86 118.70 121.00 1jj2 s GLU 72 Ca 0.64 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.62 1jj2 s GLU 72 Cb -0.10 -2.42 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1jj2 s GLU 72 CO 0.48 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1jj2 n GLY 73 N 0.36 0.73 3.70 -1.50 0.00 -1.26 -4.80 105.19 102.42 1jj2 n GLY 73 Ca 0.07 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1jj2 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jj2 s VAL 74 N -2.00 5.01 0.16 1.61 1.01 -1.25 -5.04 120.40 119.90 1jj2 s VAL 74 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1jj2 s VAL 74 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1jj2 s VAL 74 CO 0.00 0.49 0.02 -0.83 0.00 0.00 0.00 175.10 174.78 1jj2 s GLY 75 N 0.03 1.16 0.20 4.51 0.00 -1.26 -5.05 107.32 106.90 1jj2 s GLY 75 Ca 0.07 -1.56 -0.32 0.00 0.00 0.00 0.00 44.72 42.91 1jj2 s GLY 75 CO 0.00 -1.48 1.30 -0.62 0.00 0.00 0.00 173.10 172.30 1jj2 n VAL 76 N -0.20 0.84 0.00 1.40 0.31 -1.26 -1.78 118.33 117.63 1jj2 n VAL 76 Ca -0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1jj2 n VAL 76 Cb 0.63 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1jj2 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jj2 n GLY 77 N 2.17 2.89 3.64 2.92 0.00 -0.45 -4.99 105.19 111.36 1jj2 n GLY 77 Ca 0.14 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1jj2 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jj2 n ASP 78 N 0.17 1.00 -4.29 1.61 9.92 -0.74 -4.63 116.55 119.59 1jj2 n ASP 78 Ca 0.00 0.79 -0.35 0.00 -0.53 0.00 0.00 54.79 54.70 1jj2 n ASP 78 Cb 0.00 -1.43 -0.14 0.00 -0.64 0.00 0.00 41.12 38.92 1jj2 n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1jj2 s GLU 79 N -2.95 3.16 0.09 -1.24 2.12 -1.26 -1.09 118.70 117.51 1jj2 s GLU 79 Ca 0.78 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 55.34 1jj2 s GLU 79 Cb -0.40 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1jj2 s GLU 79 CO 0.45 -0.32 0.19 -0.51 -0.54 0.00 0.00 175.26 174.53 1jj2 s LEU 80 N 1.45 4.20 0.03 2.70 1.43 -0.59 -4.94 118.68 122.96 1jj2 s LEU 80 Ca 0.03 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1jj2 s LEU 80 Cb -0.16 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 1jj2 s LEU 80 CO -0.02 0.14 -0.13 -1.10 0.23 0.00 0.00 176.35 175.47 1jj2 s GLN 81 N -2.66 0.89 -0.16 1.70 -0.21 -1.26 -1.21 119.66 116.75 1jj2 s GLN 81 Ca 0.33 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 55.01 1jj2 s GLN 81 Cb -0.12 -0.87 0.05 0.00 1.00 0.00 0.00 33.01 33.06 1jj2 s GLN 81 CO 0.27 0.22 -0.00 0.08 -2.12 0.00 0.00 175.29 173.73 1jj2 s VAL 82 N -0.78 0.72 0.00 1.09 1.01 -0.33 -1.75 120.40 120.36 1jj2 s VAL 82 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1jj2 s VAL 82 Cb -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1jj2 s VAL 82 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1jj2 n GLY 83 N 5.00 1.66 0.35 4.51 0.00 -0.89 -4.19 105.19 111.63 1jj2 n GLY 83 Ca -0.10 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.87 1jj2 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jj2 h VAL 84 N 1.16 1.02 -0.48 1.61 2.07 -1.87 -2.09 116.25 117.68 1jj2 h VAL 84 Ca 0.00 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1jj2 h VAL 84 Cb 0.00 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.60 1jj2 h VAL 84 CO 0.00 0.19 0.08 0.47 0.02 0.00 0.00 177.57 178.33 1jj2 n ASP 85 N -4.58 4.39 -4.77 0.57 8.00 -1.26 -4.90 116.55 114.00 1jj2 n ASP 85 Ca 0.15 -2.78 -0.39 0.00 0.71 0.00 0.00 54.79 52.49 1jj2 n ASP 85 Cb 0.23 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1jj2 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 s ALA 86 N -2.34 3.15 1.09 2.24 0.00 -0.78 -4.98 121.76 120.14 1jj2 s ALA 86 Ca 0.41 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 1jj2 s ALA 86 Cb 0.32 -3.44 0.24 0.00 0.00 0.00 0.00 23.12 20.24 1jj2 s ALA 86 CO 0.11 -0.74 1.06 -2.00 0.00 0.00 0.00 175.76 174.20 1jj2 s GLU 87 N -2.37 -0.37 -1.01 0.00 2.12 -1.26 -4.92 118.70 110.90 1jj2 s GLU 87 Ca 0.59 1.09 -0.03 0.00 0.36 0.00 0.00 54.97 56.98 1jj2 s GLU 87 Cb -0.34 -1.60 0.29 0.00 0.26 0.00 0.00 34.13 32.74 1jj2 s GLU 87 CO 0.43 -3.43 1.27 -0.89 -0.54 0.00 0.00 175.26 172.10 1jj2 n ILE 88 N -4.74 4.61 -4.28 -3.70 5.41 -1.26 -4.89 119.36 110.50 1jj2 n ILE 88 Ca 0.06 -5.69 -0.17 0.00 1.00 0.00 0.00 62.75 57.94 1jj2 n ILE 88 Cb 0.53 -2.18 -0.10 0.00 -0.71 0.00 0.00 39.64 37.18 1jj2 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jj2 s ALA 89 N -2.43 1.68 0.44 -1.39 0.00 -1.26 -5.10 121.76 113.70 1jj2 s ALA 89 Ca 0.32 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 1jj2 s ALA 89 Cb 0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 1jj2 s ALA 89 CO 0.04 0.05 1.28 -2.30 0.00 0.00 0.00 175.76 174.83 1jj2 n PRO 90 N 0.04 1.89 0.00 0.00 -0.02 -1.26 -2.37 135.00 133.28 1jj2 n PRO 90 Ca -0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1jj2 n PRO 90 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1jj2 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jj2 n GLY 91 N 0.81 1.50 3.91 -1.23 0.00 -0.43 -4.97 105.19 104.78 1jj2 n GLY 91 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1jj2 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jj2 s ASN 92 N -2.15 6.43 -0.09 1.61 -0.87 -1.00 -4.60 114.94 114.27 1jj2 s ASN 92 Ca 0.00 0.48 0.04 0.00 -1.57 0.00 0.00 52.86 51.81 1jj2 s ASN 92 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 41.25 39.18 1jj2 s ASN 92 CO 0.00 -0.00 -0.23 -0.89 -2.57 0.00 0.00 177.10 173.41 1jj2 s THR 93 N -1.78 1.96 0.15 1.60 2.01 -0.72 -0.75 115.64 118.11 1jj2 s THR 93 Ca 0.40 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 1jj2 s THR 93 Cb -0.12 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.76 1jj2 s THR 93 CO 0.27 0.54 0.53 -1.48 -0.69 0.00 0.00 174.62 173.79 1jj2 s LEU 94 N 0.33 -0.21 0.40 4.42 2.34 -0.32 -2.10 118.68 123.54 1jj2 s LEU 94 Ca -0.17 -0.15 -0.27 0.00 0.06 0.00 0.00 54.13 53.60 1jj2 s LEU 94 Cb -0.17 2.33 -0.10 0.00 -0.56 0.00 0.00 46.19 47.68 1jj2 s LEU 94 CO 0.08 -0.95 1.40 -0.81 -1.06 0.00 0.00 176.35 175.02 1jj2 n PRO 95 N -0.33 2.33 -0.12 1.48 -0.04 -1.26 -1.81 135.00 135.24 1jj2 n PRO 95 Ca -0.16 0.82 0.27 0.00 -0.04 0.00 0.00 63.50 64.40 1jj2 n PRO 95 Cb 0.64 -2.56 0.65 0.00 -0.04 0.00 0.00 33.50 32.20 1jj2 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jj2 h LEU 96 N 2.52 0.00 -0.35 1.53 3.38 -0.62 0.16 115.31 121.93 1jj2 h LEU 96 Ca -0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1jj2 h LEU 96 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1jj2 h LEU 96 CO 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 179.13 1jj2 h ALA 97 N 1.14 0.48 0.00 1.53 0.00 -1.49 -2.82 119.26 118.10 1jj2 h ALA 97 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jj2 h ALA 97 Cb 2.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1jj2 h ALA 97 CO -0.00 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.91 1jj2 n GLU 98 N -4.47 0.44 -3.33 0.00 -0.58 0.54 -4.79 120.64 108.45 1jj2 n GLU 98 Ca -0.02 0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.38 1jj2 n GLU 98 Cb 0.29 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 1jj2 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1jj2 s ILE 99 N -2.48 5.06 0.15 -3.67 -1.09 -1.07 -5.01 121.20 113.09 1jj2 s ILE 99 Ca 0.27 1.00 -0.30 0.00 -2.23 0.00 0.00 60.65 59.39 1jj2 s ILE 99 Cb 0.17 -3.82 -0.08 0.00 -1.58 0.00 0.00 42.46 37.16 1jj2 s ILE 99 CO 0.38 0.42 1.26 -2.16 -1.23 0.00 0.00 174.94 173.61 1jj2 s PRO 100 N -0.08 4.43 0.60 2.79 0.04 -1.26 -4.97 135.00 136.54 1jj2 s PRO 100 Ca 0.27 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1jj2 s PRO 100 Cb -0.16 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1jj2 s PRO 100 CO 0.13 -0.22 1.04 0.39 0.04 0.00 0.00 177.00 178.38 1jj2 n GLU 101 N 3.09 1.01 -0.49 4.56 1.02 -1.26 -2.81 120.64 125.76 1jj2 n GLU 101 Ca 0.07 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1jj2 n GLU 101 Cb 0.44 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1jj2 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jj2 n GLY 102 N 1.19 0.75 3.77 0.62 0.00 0.01 -5.03 105.19 106.50 1jj2 n GLY 102 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1jj2 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jj2 s VAL 103 N -2.72 5.25 0.24 1.61 1.01 -1.12 -4.96 120.40 119.70 1jj2 s VAL 103 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1jj2 s VAL 103 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 1jj2 s VAL 103 CO 0.00 0.53 1.31 -2.84 0.00 0.00 0.00 175.10 174.10 1jj2 s PRO 104 N -0.33 4.39 0.08 2.72 0.02 -1.26 -3.51 135.00 137.10 1jj2 s PRO 104 Ca 0.11 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.22 1jj2 s PRO 104 Cb -0.12 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1jj2 s PRO 104 CO 0.01 -0.22 -0.05 0.08 -0.33 0.00 0.00 177.00 176.49 1jj2 s VAL 105 N -0.24 0.52 0.18 3.83 1.01 -0.62 -1.15 120.40 123.92 1jj2 s VAL 105 Ca 0.54 -1.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 1jj2 s VAL 105 Cb -0.37 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1jj2 s VAL 105 CO 0.42 -0.91 0.17 0.00 0.00 0.00 0.00 175.10 174.78 1jj2 n ASN 107 N -0.21 -5.54 -4.76 0.00 5.15 0.17 -1.01 115.26 109.07 1jj2 n ASN 107 Ca -0.02 -0.95 -0.39 0.00 -0.60 0.00 0.00 54.58 52.61 1jj2 n ASN 107 Cb 0.64 -3.52 -0.05 0.00 -0.53 0.00 0.00 39.78 36.32 1jj2 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jj2 s VAL 108 N -3.42 4.87 0.44 3.44 1.01 -0.25 -4.14 120.40 122.36 1jj2 s VAL 108 Ca 0.44 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 1jj2 s VAL 108 Cb -0.15 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1jj2 s VAL 108 CO 0.85 0.40 1.05 -1.61 0.00 0.00 0.00 175.10 175.79 1jj2 s GLU 109 N -0.14 3.96 0.01 2.72 2.02 -0.87 0.51 118.70 126.91 1jj2 s GLU 109 Ca 0.33 1.45 -0.12 0.00 0.02 0.00 0.00 54.97 56.65 1jj2 s GLU 109 Cb -0.19 -2.31 -0.33 0.00 0.10 0.00 0.00 34.13 31.40 1jj2 s GLU 109 CO 0.18 -0.31 0.91 1.03 0.02 0.00 0.00 175.26 177.10 1jj2 h SER 110 N 2.01 0.70 -3.62 -0.19 0.87 -1.92 -3.45 113.55 107.95 1jj2 h SER 110 Ca -0.49 -0.84 -0.23 0.00 -1.23 0.00 0.00 61.79 59.00 1jj2 h SER 110 Cb 1.22 -0.23 -0.30 0.00 -0.44 0.00 0.00 62.40 62.65 1jj2 h SER 110 CO 0.61 1.68 -0.62 -0.94 -0.53 0.00 0.00 176.83 177.02 1jj2 s SER 111 N -7.41 -0.08 -0.35 6.23 1.04 -1.26 -4.76 113.70 107.10 1jj2 s SER 111 Ca -0.10 0.21 -0.32 0.00 0.48 0.00 0.00 55.95 56.21 1jj2 s SER 111 Cb 0.05 0.16 -0.14 0.00 0.10 0.00 0.00 66.02 66.19 1jj2 s SER 111 CO 0.91 -0.09 1.26 -0.81 0.98 0.00 0.00 173.24 175.50 1jj2 n PRO 112 N 3.58 0.00 -0.32 4.02 -0.04 -1.26 -1.64 135.00 139.33 1jj2 n PRO 112 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1jj2 n PRO 112 Cb 0.56 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1jj2 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jj2 n GLY 113 N 3.70 0.73 0.00 0.55 0.00 -1.26 -4.93 105.19 103.98 1jj2 n GLY 113 Ca 0.28 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.42 1jj2 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jj2 n ASP 114 N 0.00 0.00 0.00 1.61 5.68 -0.65 -4.88 116.55 118.31 1jj2 n ASP 114 Ca 0.00 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 1jj2 n ASP 114 Cb 0.00 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1jj2 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jj2 n GLY 115 N 0.53 0.81 0.00 6.12 0.00 -1.26 -4.86 105.19 106.52 1jj2 n GLY 115 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jj2 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 116 N -2.24 1.99 0.07 -0.02 0.00 -1.26 -1.65 105.19 102.08 1jj2 n GLY 116 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1jj2 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jj2 n LYS 117 N 2.42 0.00 -3.58 1.61 4.76 0.18 -4.85 118.16 118.70 1jj2 n LYS 117 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1jj2 n LYS 117 Cb 0.00 -0.73 -0.04 0.00 -1.84 0.00 0.00 35.03 32.43 1jj2 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1jj2 s PHE 118 N -1.53 3.48 -0.40 2.13 0.40 0.13 -4.73 117.98 117.46 1jj2 s PHE 118 Ca 0.00 0.48 -0.24 0.00 -0.60 0.00 0.00 56.93 56.58 1jj2 s PHE 118 Cb 0.00 -1.97 0.03 0.00 0.51 0.00 0.00 43.02 41.60 1jj2 s PHE 118 CO 0.00 0.33 0.55 0.00 0.70 0.00 0.00 175.22 176.80 1jj2 n ALA 119 N -0.58 -2.69 0.00 5.36 0.00 -1.26 -1.09 120.51 120.25 1jj2 n ALA 119 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1jj2 n ALA 119 Cb 0.53 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1jj2 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jj2 n ARG 120 N -0.08 2.88 -1.62 0.00 1.74 -1.26 0.45 116.66 118.76 1jj2 n ARG 120 Ca 0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1jj2 n ARG 120 Cb 0.52 -0.33 0.12 0.00 -1.02 0.00 0.00 32.46 31.75 1jj2 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jj2 s ALA 121 N -0.40 2.04 -0.15 7.54 0.00 -1.26 -4.93 121.76 124.60 1jj2 s ALA 121 Ca 0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 51.96 51.06 1jj2 s ALA 121 Cb 0.00 -3.03 -0.16 0.00 0.00 0.00 0.00 23.12 19.93 1jj2 s ALA 121 CO 0.00 -2.06 1.58 0.43 0.00 0.00 0.00 175.76 175.70 1jj2 n SER 122 N -3.61 2.01 0.00 0.00 7.64 -1.26 -2.83 113.62 115.57 1jj2 n SER 122 Ca 0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1jj2 n SER 122 Cb 0.59 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1jj2 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jj2 n GLY 123 N 3.51 0.13 3.95 0.23 0.00 -0.93 -4.59 105.19 107.49 1jj2 n GLY 123 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1jj2 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jj2 s VAL 124 N -1.37 2.13 -0.09 1.61 -7.23 -1.13 -4.60 120.40 109.71 1jj2 s VAL 124 Ca 0.00 -0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 1jj2 s VAL 124 Cb 0.00 -2.86 0.12 0.00 0.56 0.00 0.00 36.38 34.20 1jj2 s VAL 124 CO 0.00 0.00 1.02 0.54 -0.31 0.00 0.00 175.10 176.35 1jj2 s ASN 125 N -4.72 -0.29 0.40 4.85 2.20 -1.26 -1.43 114.94 114.69 1jj2 s ASN 125 Ca 0.67 0.07 0.08 0.00 -0.94 0.00 0.00 52.86 52.73 1jj2 s ASN 125 Cb -0.07 0.29 -0.01 0.00 -2.00 0.00 0.00 41.25 39.46 1jj2 s ASN 125 CO 0.48 -0.44 0.44 0.00 -2.94 0.00 0.00 177.10 174.64 1jj2 s ALA 126 N -2.52 4.21 -0.20 3.54 0.00 0.34 -3.83 121.76 123.30 1jj2 s ALA 126 Ca 0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 51.96 50.27 1jj2 s ALA 126 Cb -0.01 -1.33 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1jj2 s ALA 126 CO -0.06 -0.19 0.00 -1.14 0.00 0.00 0.00 175.76 174.38 1jj2 s GLN 127 N -4.19 0.99 -0.30 0.00 2.00 -0.15 -1.60 119.66 116.42 1jj2 s GLN 127 Ca 0.49 -0.58 -0.29 0.00 -2.00 0.00 0.00 55.36 52.98 1jj2 s GLN 127 Cb -0.07 -2.22 -0.00 0.00 0.80 0.00 0.00 33.01 31.52 1jj2 s GLN 127 CO 0.30 -0.61 1.39 -1.17 -0.50 0.00 0.00 175.29 174.70 1jj2 s LEU 128 N 1.71 3.84 -0.12 3.68 2.96 -1.23 -0.62 118.68 128.90 1jj2 s LEU 128 Ca -0.02 1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 1jj2 s LEU 128 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1jj2 s LEU 128 CO -0.07 -1.17 -0.24 0.18 -1.32 0.00 0.00 176.35 173.73 1jj2 n LEU 129 N 7.98 1.35 -4.61 -0.68 4.77 -0.39 -0.81 117.00 124.60 1jj2 n LEU 129 Ca 0.16 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 1jj2 n LEU 129 Cb 0.46 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1jj2 n LEU 129 CO 0.64 -0.35 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.08 1jj2 s THR 130 N -2.33 3.66 0.00 -5.08 2.01 -1.16 -4.53 115.64 108.21 1jj2 s THR 130 Ca -0.20 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1jj2 s THR 130 Cb 0.03 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1jj2 s THR 130 CO 0.29 0.23 0.00 1.41 -0.69 0.00 0.00 174.62 175.86 1jj2 n HIS 131 N 1.02 -1.22 0.00 4.92 8.25 -1.26 -1.51 115.22 125.42 1jj2 n HIS 131 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1jj2 n HIS 131 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1jj2 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1jj2 n ASP 132 N -1.75 0.00 0.06 0.41 -0.08 -1.20 -4.77 116.55 109.21 1jj2 n ASP 132 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1jj2 n ASP 132 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1jj2 n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1jj2 n ARG 133 N -1.00 0.47 -0.04 -0.67 1.74 -1.26 -4.49 116.66 111.41 1jj2 n ARG 133 Ca 0.00 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 57.06 1jj2 n ARG 133 Cb 0.00 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.71 1jj2 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jj2 n ASN 134 N -2.31 3.42 -3.99 0.55 3.02 -1.26 -4.91 115.26 109.77 1jj2 n ASN 134 Ca 0.00 -0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.33 1jj2 n ASN 134 Cb 0.50 0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.57 1jj2 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jj2 s VAL 135 N -2.15 0.71 -0.26 2.41 0.11 -1.26 -4.42 120.40 115.54 1jj2 s VAL 135 Ca -0.09 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1jj2 s VAL 135 Cb 0.02 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1jj2 s VAL 135 CO 0.20 0.22 -0.01 0.00 -3.33 0.00 0.00 175.10 172.17 1jj2 s ALA 136 N 0.11 2.83 -0.28 1.54 0.00 0.62 -3.27 121.76 123.32 1jj2 s ALA 136 Ca -0.02 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 1jj2 s ALA 136 Cb -0.07 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1jj2 s ALA 136 CO 0.00 -0.80 0.56 0.08 0.00 0.00 0.00 175.76 175.60 1jj2 s VAL 137 N 1.40 5.02 -0.02 0.00 1.01 -0.57 -0.27 120.40 126.97 1jj2 s VAL 137 Ca 0.02 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.89 1jj2 s VAL 137 Cb -0.16 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1jj2 s VAL 137 CO -0.02 -0.02 -0.22 -0.69 0.00 0.00 0.00 175.10 174.14 1jj2 s VAL 138 N 2.42 2.38 -0.36 2.92 1.01 0.84 -1.26 120.40 128.35 1jj2 s VAL 138 Ca 0.22 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1jj2 s VAL 138 Cb -0.15 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1jj2 s VAL 138 CO 0.10 0.55 0.25 -0.75 0.00 0.00 0.00 175.10 175.25 1jj2 s LYS 139 N -0.75 3.22 0.78 2.72 2.20 0.21 0.13 119.74 128.24 1jj2 s LYS 139 Ca 0.11 -0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 1jj2 s LYS 139 Cb -0.10 -3.83 0.06 0.00 -1.51 0.00 0.00 37.83 32.44 1jj2 s LYS 139 CO 0.00 -0.57 1.10 -0.51 -0.36 0.00 0.00 175.35 175.01 1jj2 s LEU 140 N 1.68 2.66 0.61 5.43 1.43 0.25 -0.98 118.68 129.76 1jj2 s LEU 140 Ca 0.05 1.25 0.31 0.00 -1.03 0.00 0.00 54.13 54.71 1jj2 s LEU 140 Cb -0.18 -3.90 1.76 0.00 0.03 0.00 0.00 46.19 43.90 1jj2 s LEU 140 CO 0.09 -1.83 2.13 1.55 0.23 0.00 0.00 176.35 178.52 1jj2 h PRO 141 N -0.99 0.00 0.00 1.29 0.13 -1.89 0.16 132.00 130.69 1jj2 h PRO 141 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jj2 h PRO 141 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1jj2 h PRO 141 CO 0.60 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 1jj2 n SER 142 N -3.63 0.73 0.00 1.44 3.41 -1.26 -4.86 113.62 109.44 1jj2 n SER 142 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1jj2 n SER 142 Cb 0.28 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1jj2 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jj2 n GLY 143 N 0.58 0.43 3.78 5.00 0.00 0.56 -5.08 105.19 110.45 1jj2 n GLY 143 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1jj2 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jj2 s GLU 144 N -0.77 4.03 -0.43 1.61 2.12 -1.25 -4.74 118.70 119.27 1jj2 s GLU 144 Ca 0.00 1.54 -0.20 0.00 0.36 0.00 0.00 54.97 56.67 1jj2 s GLU 144 Cb 0.00 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.97 1jj2 s GLU 144 CO 0.00 -0.27 0.61 -1.64 -0.54 0.00 0.00 175.26 173.42 1jj2 s MET 145 N -2.65 3.27 -0.16 4.30 -1.94 -1.26 -0.58 119.30 120.28 1jj2 s MET 145 Ca 0.60 -0.42 -0.05 0.00 -1.71 0.00 0.00 55.69 54.11 1jj2 s MET 145 Cb -0.22 -3.95 -0.03 0.00 2.01 0.00 0.00 34.83 32.64 1jj2 s MET 145 CO 0.28 -0.97 0.02 0.21 -0.01 0.00 0.00 175.02 174.55 1jj2 s LYS 146 N 2.70 3.76 -0.28 2.03 2.47 0.34 -4.93 119.74 125.82 1jj2 s LYS 146 Ca 0.21 -0.42 -0.17 0.00 -1.56 0.00 0.00 55.97 54.02 1jj2 s LYS 146 Cb -0.15 -3.05 -0.02 0.00 -1.46 0.00 0.00 37.83 33.15 1jj2 s LYS 146 CO 0.18 0.30 0.49 1.03 0.16 0.00 0.00 175.35 177.52 1jj2 s ARG 147 N 0.24 3.97 0.11 4.03 0.52 -1.26 -0.11 118.95 126.44 1jj2 s ARG 147 Ca 0.01 0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.47 1jj2 s ARG 147 Cb -0.13 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1jj2 s ARG 147 CO 0.01 -0.40 -0.17 -0.51 0.02 0.00 0.00 175.30 174.25 1jj2 s LEU 148 N 2.30 2.34 0.19 2.53 1.43 0.62 -4.94 118.68 123.15 1jj2 s LEU 148 Ca 0.20 -0.73 -0.32 0.00 -1.03 0.00 0.00 54.13 52.25 1jj2 s LEU 148 Cb -0.16 -0.71 -0.11 0.00 0.03 0.00 0.00 46.19 45.24 1jj2 s LEU 148 CO 0.10 -0.04 1.68 -0.62 0.23 0.00 0.00 176.35 177.70 1jj2 s ASP 149 N -2.13 6.45 0.02 2.29 -1.08 -1.26 -0.27 116.67 120.69 1jj2 s ASP 149 Ca 0.07 2.78 0.02 0.00 -0.52 0.00 0.00 52.55 54.89 1jj2 s ASP 149 Cb -0.08 -2.60 0.11 0.00 -1.46 0.00 0.00 42.92 38.89 1jj2 s ASP 149 CO 0.04 -0.93 1.07 -0.81 0.52 0.00 0.00 175.17 175.06 1jj2 n PRO 150 N 4.11 0.01 0.00 4.34 -0.04 -1.26 -0.76 135.00 141.40 1jj2 n PRO 150 Ca 0.15 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 1jj2 n PRO 150 Cb 0.36 -1.53 0.56 0.00 -0.04 0.00 0.00 33.50 32.85 1jj2 n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jj2 n GLN 151 N -1.55 0.09 -2.08 0.54 -0.06 -1.26 -1.32 117.38 111.74 1jj2 n GLN 151 Ca 0.00 -0.02 -0.42 0.00 -2.00 0.00 0.00 57.00 54.56 1jj2 n GLN 151 Cb 0.01 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.66 1jj2 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jj2 s ARG 153 N 2.06 3.76 0.22 0.00 0.52 -1.26 -0.76 118.95 123.48 1jj2 s ARG 153 Ca 0.68 0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 56.69 1jj2 s ARG 153 Cb -0.37 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1jj2 s ARG 153 CO 0.30 -0.43 0.52 0.00 0.02 0.00 0.00 175.30 175.70 1jj2 s ALA 154 N -2.71 -0.68 -0.12 2.13 0.00 -0.75 -2.04 121.76 117.58 1jj2 s ALA 154 Ca 0.59 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1jj2 s ALA 154 Cb -0.11 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1jj2 s ALA 154 CO 0.37 -0.84 -0.12 0.99 0.00 0.00 0.00 175.76 176.16 1jj2 s THR 155 N -3.93 3.18 0.13 0.00 2.01 -0.18 -1.17 115.64 115.68 1jj2 s THR 155 Ca 0.14 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 1jj2 s THR 155 Cb -0.01 -2.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.09 1jj2 s THR 155 CO 0.02 0.53 1.31 -0.63 -0.69 0.00 0.00 174.62 175.17 1jj2 s ILE 156 N 0.14 3.46 0.00 1.82 1.01 0.07 -0.57 121.20 127.14 1jj2 s ILE 156 Ca -0.06 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1jj2 s ILE 156 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1jj2 s ILE 156 CO 0.04 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1jj2 n GLY 157 N 3.05 1.10 3.85 6.18 0.00 -0.30 -1.31 105.19 117.75 1jj2 n GLY 157 Ca 0.09 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.59 1jj2 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jj2 s VAL 158 N -1.23 4.88 0.43 1.61 -7.23 -1.26 -2.98 120.40 114.63 1jj2 s VAL 158 Ca 0.00 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.14 1jj2 s VAL 158 Cb 0.00 -3.45 -0.08 0.00 0.56 0.00 0.00 36.38 33.41 1jj2 s VAL 158 CO 0.00 -0.01 1.35 -0.69 -0.31 0.00 0.00 175.10 175.44 1jj2 s VAL 159 N -1.62 2.39 1.02 1.32 1.01 -0.52 0.27 120.40 124.28 1jj2 s VAL 159 Ca 0.32 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1jj2 s VAL 159 Cb -0.11 -3.20 0.20 0.00 0.00 0.00 0.00 36.38 33.27 1jj2 s VAL 159 CO 0.25 0.04 1.08 -0.83 0.00 0.00 0.00 175.10 175.65 1jj2 s GLY 160 N -0.69 1.57 0.00 4.51 0.00 -0.72 -2.19 107.32 109.80 1jj2 s GLY 160 Ca 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1jj2 s GLY 160 CO 0.51 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.56 1jj2 n GLY 161 N -0.70 0.55 3.54 0.20 0.00 -1.26 -2.25 105.19 105.26 1jj2 n GLY 161 Ca 0.05 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1jj2 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 162 N -2.89 -0.85 1.65 -0.02 0.00 -1.26 -3.00 105.19 98.82 1jj2 n GLY 162 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1jj2 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 163 N 1.50 0.78 0.36 -0.02 0.00 -1.26 -4.87 105.19 101.68 1jj2 n GLY 163 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1jj2 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jj2 h ARG 164 N 3.52 0.97 0.00 1.61 2.43 -1.88 -0.40 114.38 120.63 1jj2 h ARG 164 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1jj2 h ARG 164 Cb 0.00 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1jj2 h ARG 164 CO 0.00 0.64 0.00 2.41 -1.51 0.00 0.00 179.97 181.51 1jj2 n THR 165 N -4.60 0.87 0.23 0.20 -1.04 -1.26 -3.42 114.28 105.26 1jj2 n THR 165 Ca 0.18 0.21 0.10 0.00 -2.04 0.00 0.00 64.05 62.51 1jj2 n THR 165 Cb 0.34 -1.04 0.56 0.00 -1.82 0.00 0.00 70.33 68.37 1jj2 n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1jj2 h ASP 166 N 0.00 0.00 -3.19 8.00 3.32 -1.47 -3.43 116.42 119.64 1jj2 h ASP 166 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1jj2 h ASP 166 Cb 0.33 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.78 1jj2 h ASP 166 CO 0.00 0.20 -0.37 -0.75 -1.72 0.00 0.00 179.24 176.61 1jj2 s LYS 167 N -3.95 4.13 0.57 3.56 2.20 -1.22 -5.07 119.74 119.95 1jj2 s LYS 167 Ca -0.01 0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.45 1jj2 s LYS 167 Cb 0.12 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1jj2 s LYS 167 CO 0.62 0.35 1.05 -1.25 -0.36 0.00 0.00 175.35 175.76 1jj2 s PRO 168 N 0.16 3.45 0.44 4.03 0.04 -1.26 -4.93 135.00 136.94 1jj2 s PRO 168 Ca 0.15 1.23 0.23 0.00 0.04 0.00 0.00 61.00 62.65 1jj2 s PRO 168 Cb -0.13 -2.05 0.98 0.00 0.04 0.00 0.00 34.50 33.35 1jj2 s PRO 168 CO 0.03 -0.71 1.86 0.74 0.04 0.00 0.00 177.00 178.97 1jj2 h PHE 169 N 0.70 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 111.77 1jj2 h PHE 169 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1jj2 h PHE 169 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 1jj2 h PHE 169 CO 0.58 0.24 0.00 0.28 -1.61 0.00 0.00 178.31 177.80 1jj2 n VAL 170 N -3.49 0.00 -4.19 -0.55 0.31 -1.26 -4.65 118.33 104.50 1jj2 n VAL 170 Ca -0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1jj2 n VAL 170 Cb 0.40 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.23 1jj2 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1jj2 s LYS 171 N 0.00 0.88 0.24 5.55 -2.85 -1.26 -5.04 119.74 117.26 1jj2 s LYS 171 Ca 0.00 -1.20 -0.04 0.00 -1.00 0.00 0.00 55.97 53.73 1jj2 s LYS 171 Cb 0.00 -0.55 0.42 0.00 -2.06 0.00 0.00 37.83 35.64 1jj2 s LYS 171 CO 0.00 0.08 1.77 0.00 0.10 0.00 0.00 175.35 177.30 1jj2 h ALA 172 N 3.46 1.10 -0.88 0.59 0.00 -2.01 -1.98 119.26 119.54 1jj2 h ALA 172 Ca -0.37 0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1jj2 h ALA 172 Cb 1.19 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1jj2 h ALA 172 CO 0.54 -0.06 0.57 0.78 0.00 0.00 0.00 179.25 181.08 1jj2 h GLY 173 N 0.61 1.21 1.18 0.00 0.00 -1.96 0.14 103.07 104.25 1jj2 h GLY 173 Ca 0.40 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 47.24 1jj2 h GLY 173 CO -0.31 0.12 -0.49 3.43 0.00 0.00 0.00 176.54 179.29 1jj2 h ASN 174 N 0.73 0.96 0.06 0.19 2.35 -1.62 -2.51 115.58 115.74 1jj2 h ASN 174 Ca 0.43 -0.48 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1jj2 h ASN 174 Cb 0.63 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1jj2 h ASN 174 CO -0.19 1.28 -0.04 0.11 -1.65 0.00 0.00 177.43 176.93 1jj2 h LYS 175 N 0.68 -0.10 -0.93 0.81 1.79 -1.28 -2.84 116.57 114.70 1jj2 h LYS 175 Ca 0.03 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.60 1jj2 h LYS 175 Cb 1.09 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.64 1jj2 h LYS 175 CO 0.11 -0.07 -0.58 1.25 -1.08 0.00 0.00 179.45 179.09 1jj2 h HIS 176 N -0.10 -1.85 -0.81 -1.35 2.76 -0.83 0.21 115.15 113.17 1jj2 h HIS 176 Ca -0.00 0.12 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 1jj2 h HIS 176 Cb 0.09 0.93 -0.06 0.00 1.55 0.00 0.00 27.41 29.92 1jj2 h HIS 176 CO -0.08 -0.38 0.53 0.45 -1.30 0.00 0.00 177.93 177.14 1jj2 h HIS 177 N -0.04 0.81 -0.09 5.26 3.86 -1.29 -0.63 115.15 123.02 1jj2 h HIS 177 Ca 0.16 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1jj2 h HIS 177 Cb 0.44 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1jj2 h HIS 177 CO -0.99 0.37 -0.17 -0.22 0.86 0.00 0.00 177.93 177.78 1jj2 h LYS 178 N 0.75 0.27 -0.41 2.45 3.64 -0.69 -3.18 116.57 119.39 1jj2 h LYS 178 Ca 0.38 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1jj2 h LYS 178 Cb 0.46 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1jj2 h LYS 178 CO -0.15 0.76 0.28 1.98 -2.27 0.00 0.00 179.45 180.05 1jj2 h MET 179 N -0.20 0.22 0.00 1.90 4.05 0.03 0.58 114.93 121.51 1jj2 h MET 179 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1jj2 h MET 179 Cb 0.75 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1jj2 h MET 179 CO 0.04 0.14 0.00 -0.22 0.23 0.00 0.00 176.91 177.10 1jj2 h LYS 180 N 0.22 0.00 -0.71 0.39 3.64 -1.12 -1.78 116.57 117.22 1jj2 h LYS 180 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1jj2 h LYS 180 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1jj2 h LYS 180 CO -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.15 1jj2 n ALA 181 N -1.85 2.38 -2.39 5.00 0.00 0.19 -4.74 120.51 119.11 1jj2 n ALA 181 Ca 0.00 -1.30 -0.20 0.00 0.00 0.00 0.00 53.44 51.94 1jj2 n ALA 181 Cb 0.16 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 1jj2 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jj2 s ARG 182 N -1.03 1.45 -1.29 0.00 1.81 -0.67 -4.69 118.95 114.53 1jj2 s ARG 182 Ca 0.47 -1.71 -0.13 0.00 -1.72 0.00 0.00 55.73 52.64 1jj2 s ARG 182 Cb 0.25 -1.08 0.13 0.00 -0.45 0.00 0.00 34.95 33.80 1jj2 s ARG 182 CO 0.32 0.07 1.75 0.41 -0.68 0.00 0.00 175.30 177.16 1jj2 n GLY 183 N -0.49 3.80 3.21 -3.53 0.00 -1.26 -4.52 105.19 102.39 1jj2 n GLY 183 Ca -0.06 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1jj2 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jj2 s THR 184 N 1.96 0.04 -0.22 2.61 2.01 -1.26 -4.75 115.64 116.04 1jj2 s THR 184 Ca 0.45 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1jj2 s THR 184 Cb 0.05 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1jj2 s THR 184 CO 0.00 -0.19 0.35 -0.75 -0.69 0.00 0.00 174.62 173.35 1jj2 s LYS 185 N -0.84 4.13 -0.02 4.92 2.47 -1.26 -4.87 119.74 124.26 1jj2 s LYS 185 Ca -0.09 0.09 -0.13 0.00 -1.56 0.00 0.00 55.97 54.28 1jj2 s LYS 185 Cb -0.05 -3.56 0.02 0.00 -1.46 0.00 0.00 37.83 32.78 1jj2 s LYS 185 CO 0.03 -0.07 0.27 -0.46 0.16 0.00 0.00 175.35 175.27 1jj2 s TRP 186 N 1.42 -0.13 0.97 4.03 -0.00 -1.26 -4.75 118.94 119.22 1jj2 s TRP 186 Ca 0.16 0.20 -0.16 0.00 -0.00 0.00 0.00 56.10 56.30 1jj2 s TRP 186 Cb -0.15 0.06 0.24 0.00 -0.00 0.00 0.00 33.47 33.62 1jj2 s TRP 186 CO 0.08 -0.35 0.90 -0.35 -0.00 0.00 0.00 176.95 177.23 1jj2 n PRO 187 N 1.42 -2.53 -4.03 5.86 -0.04 -1.26 -5.12 135.00 129.30 1jj2 n PRO 187 Ca -0.21 -1.44 -0.34 0.00 -0.04 0.00 0.00 63.50 61.47 1jj2 n PRO 187 Cb 0.56 -1.29 -0.15 0.00 -0.04 0.00 0.00 33.50 32.58 1jj2 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1jj2 s ASN 188 N -4.00 3.71 -0.01 3.54 0.01 -1.26 -5.10 114.94 111.83 1jj2 s ASN 188 Ca 0.58 -0.65 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 1jj2 s ASN 188 Cb -0.05 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.98 1jj2 s ASN 188 CO 0.44 -0.04 0.68 -0.69 -1.51 0.00 0.00 177.10 175.98 1jj2 s VAL 189 N 1.34 4.89 0.37 1.60 1.01 -1.26 -5.03 120.40 123.32 1jj2 s VAL 189 Ca 0.04 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 1jj2 s VAL 189 Cb -0.14 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1jj2 s VAL 189 CO -0.09 0.35 1.23 -0.13 0.00 0.00 0.00 175.10 176.46 1jj2 s ARG 190 N 0.13 4.18 0.20 2.72 0.52 -1.26 -4.94 118.95 120.50 1jj2 s ARG 190 Ca 0.35 2.00 -0.10 0.00 -0.52 0.00 0.00 55.73 57.46 1jj2 s ARG 190 Cb -0.19 -2.85 0.20 0.00 0.52 0.00 0.00 34.95 32.62 1jj2 s ARG 190 CO 0.19 -0.26 1.82 0.78 0.02 0.00 0.00 175.30 177.85 1jj2 h GLY 191 N 2.97 0.93 2.00 -3.53 0.00 -1.96 -0.96 103.07 102.52 1jj2 h GLY 191 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1jj2 h GLY 191 CO 0.64 0.19 0.00 -0.62 0.00 0.00 0.00 176.54 176.75 1jj2 n VAL 192 N -4.76 1.51 0.92 4.60 0.31 -1.26 -0.84 118.33 118.81 1jj2 n VAL 192 Ca 0.07 0.41 0.12 0.00 -0.01 0.00 0.00 64.34 64.94 1jj2 n VAL 192 Cb 0.13 -1.32 0.25 0.00 -0.91 0.00 0.00 33.84 31.99 1jj2 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jj2 n ALA 193 N -1.54 2.48 -2.07 3.52 0.00 -0.37 -4.62 120.51 117.92 1jj2 n ALA 193 Ca 0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 1jj2 n ALA 193 Cb 0.08 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 18.65 1jj2 n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jj2 s MET 194 N -1.82 2.25 0.40 0.00 -1.94 -0.02 -4.98 119.30 113.19 1jj2 s MET 194 Ca 0.34 -1.72 -0.07 0.00 -1.71 0.00 0.00 55.69 52.53 1jj2 s MET 194 Cb 0.21 -2.59 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 1jj2 s MET 194 CO 0.31 -0.91 0.72 -0.80 -0.01 0.00 0.00 175.02 174.32 1jj2 s ASN 195 N -4.67 6.40 0.27 3.03 0.01 -1.26 -1.06 114.94 117.66 1jj2 s ASN 195 Ca 0.60 0.93 0.01 0.00 -0.71 0.00 0.00 52.86 53.68 1jj2 s ASN 195 Cb -0.05 -2.24 0.58 0.00 0.41 0.00 0.00 41.25 39.95 1jj2 s ASN 195 CO 0.38 -0.41 1.77 0.00 -1.51 0.00 0.00 177.10 177.32 1jj2 h ALA 196 N 0.94 1.37 -0.11 0.60 0.00 -1.81 -0.73 119.26 119.52 1jj2 h ALA 196 Ca -0.47 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1jj2 h ALA 196 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jj2 h ALA 196 CO 0.63 -0.07 0.08 -0.24 0.00 0.00 0.00 179.25 179.66 1jj2 h VAL 197 N 0.67 0.89 0.00 0.00 3.04 -1.93 -3.05 116.25 115.86 1jj2 h VAL 197 Ca 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.18 1jj2 h VAL 197 Cb 0.70 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1jj2 h VAL 197 CO -0.36 0.00 -0.99 0.47 -1.01 0.00 0.00 177.57 175.67 1jj2 n ASP 198 N -4.42 0.67 -3.58 3.17 8.00 -0.29 -1.02 116.55 119.08 1jj2 n ASP 198 Ca -0.00 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1jj2 n ASP 198 Cb 0.20 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 41.85 1jj2 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1jj2 s HIS 199 N -3.27 -0.61 0.65 1.24 2.46 -1.14 -4.51 115.29 110.11 1jj2 s HIS 199 Ca 0.02 1.25 0.42 0.00 0.47 0.00 0.00 55.06 57.22 1jj2 s HIS 199 Cb 0.12 0.37 2.28 0.00 -0.13 0.00 0.00 32.58 35.22 1jj2 s HIS 199 CO 0.79 -0.44 2.28 -1.00 -2.47 0.00 0.00 174.74 173.89 1jj2 h PRO 200 N 3.61 0.00 -0.02 2.88 0.13 -1.85 0.12 132.00 136.87 1jj2 h PRO 200 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jj2 h PRO 200 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jj2 h PRO 200 CO 0.25 0.00 -0.13 1.19 -0.23 0.00 0.00 178.00 179.07 1jj2 n PHE 201 N -3.03 0.00 -1.45 1.56 0.99 -1.26 -4.44 117.46 109.84 1jj2 n PHE 201 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.12 1jj2 n PHE 201 Cb 0.13 -0.01 0.10 0.00 -1.00 0.00 0.00 39.48 38.70 1jj2 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1jj2 s GLY 202 N -2.14 1.63 0.00 1.37 0.00 0.41 -4.04 107.32 104.55 1jj2 s GLY 202 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1jj2 s GLY 202 CO 0.38 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1jj2 n GLY 203 N -1.79 -3.47 0.00 0.20 0.00 -0.22 -3.86 105.19 96.05 1jj2 n GLY 203 Ca 0.07 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1jj2 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 204 N -0.20 0.74 0.17 -0.02 0.00 -1.26 -4.74 105.19 99.88 1jj2 n GLY 204 Ca 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.46 1jj2 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jj2 h GLY 205 N 0.00 0.00 -2.34 -0.02 0.00 -2.00 -3.45 103.07 95.26 1jj2 h GLY 205 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1jj2 h GLY 205 CO 0.00 0.00 -0.45 1.09 0.00 0.00 0.00 176.54 177.18 1jj2 s ARG 206 N -3.30 1.42 -0.29 4.80 1.70 -1.26 -5.13 118.95 116.89 1jj2 s ARG 206 Ca 0.06 -1.61 -0.17 0.00 -0.47 0.00 0.00 55.73 53.53 1jj2 s ARG 206 Cb 0.09 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1jj2 s ARG 206 CO 0.55 -0.52 0.48 -0.65 -1.08 0.00 0.00 175.30 174.08 1jj2 s GLN 207 N -3.92 3.94 -0.11 3.89 -0.21 -1.26 -4.98 119.66 117.01 1jj2 s GLN 207 Ca 0.35 0.13 -0.30 0.00 0.02 0.00 0.00 55.36 55.56 1jj2 s GLN 207 Cb 0.04 -3.69 0.12 0.00 1.00 0.00 0.00 33.01 30.48 1jj2 s GLN 207 CO 0.14 -0.41 0.99 -3.38 -2.12 0.00 0.00 175.29 170.51 1jj2 s HIS 208 N 2.28 -0.33 0.47 0.91 -3.43 -1.26 -5.10 115.29 108.82 1jj2 s HIS 208 Ca 0.19 0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 54.66 1jj2 s HIS 208 Cb -0.16 0.49 -0.08 0.00 -1.43 0.00 0.00 32.58 31.40 1jj2 s HIS 208 CO 0.10 -0.39 1.06 -1.25 -2.00 0.00 0.00 174.74 172.27 1jj2 s PRO 209 N -1.92 3.85 0.04 -0.38 0.04 -1.26 -4.88 135.00 130.48 1jj2 s PRO 209 Ca 0.02 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1jj2 s PRO 209 Cb -0.01 -2.23 -0.17 0.00 0.04 0.00 0.00 34.50 32.13 1jj2 s PRO 209 CO -0.03 -0.41 1.38 0.78 0.04 0.00 0.00 177.00 178.76 1jj2 h GLY 210 N 1.82 -0.67 0.00 0.56 0.00 -1.79 -3.46 103.07 99.52 1jj2 h GLY 210 Ca -0.49 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jj2 h GLY 210 CO 0.60 -0.24 0.00 0.28 0.00 0.00 0.00 176.54 177.18 1jj2 n LYS 211 N -5.29 2.17 -2.60 4.80 5.02 -1.26 -5.10 118.16 115.90 1jj2 n LYS 211 Ca -0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 1jj2 n LYS 211 Cb 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.27 1jj2 n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jj2 s PRO 212 N -0.67 3.90 0.47 1.97 0.04 -1.26 -4.97 135.00 134.48 1jj2 s PRO 212 Ca 0.00 1.31 0.27 0.00 0.04 0.00 0.00 61.00 62.62 1jj2 s PRO 212 Cb 0.00 -2.13 0.84 0.00 0.04 0.00 0.00 34.50 33.26 1jj2 s PRO 212 CO 0.00 -0.34 1.79 0.87 0.04 0.00 0.00 177.00 179.36 1jj2 h LYS 213 N 1.66 0.00 -6.36 4.56 1.57 -1.95 -3.43 116.57 112.62 1jj2 h LYS 213 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.72 1jj2 h LYS 213 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1jj2 h LYS 213 CO 0.60 0.10 0.98 -1.12 -0.57 0.00 0.00 179.45 179.43 1jj2 s SER 214 N -6.03 6.65 -0.03 0.86 0.01 -1.26 -1.05 113.70 112.85 1jj2 s SER 214 Ca 0.03 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1jj2 s SER 214 Cb 0.08 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1jj2 s SER 214 CO 0.62 -1.10 0.01 -0.51 0.41 0.00 0.00 173.24 172.68 1jj2 s ILE 215 N 4.44 4.30 0.66 1.44 1.10 -0.73 -4.94 121.20 127.47 1jj2 s ILE 215 Ca 0.57 -0.45 -0.17 0.00 -0.51 0.00 0.00 60.65 60.10 1jj2 s ILE 215 Cb -0.17 -2.89 0.00 0.00 0.15 0.00 0.00 42.46 39.56 1jj2 s ILE 215 CO 0.24 0.45 1.21 -0.55 -2.11 0.00 0.00 174.94 174.18 1jj2 s SER 216 N -1.35 4.68 0.39 4.50 0.15 -1.26 -0.64 113.70 120.17 1jj2 s SER 216 Ca 0.18 2.38 0.05 0.00 0.70 0.00 0.00 55.95 59.25 1jj2 s SER 216 Cb -0.12 -2.59 0.77 0.00 -1.71 0.00 0.00 66.02 62.37 1jj2 s SER 216 CO 0.08 -1.93 2.04 0.03 1.20 0.00 0.00 173.24 174.65 1jj2 h ARG 217 N 0.27 0.66 0.00 5.44 2.47 -1.95 -2.24 114.38 119.04 1jj2 h ARG 217 Ca -0.49 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1jj2 h ARG 217 Cb 1.30 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1jj2 h ARG 217 CO 0.52 0.44 0.00 0.09 0.56 0.00 0.00 179.97 181.58 1jj2 n ASN 218 N -4.46 0.00 -4.78 7.04 3.02 -1.26 -4.88 115.26 109.95 1jj2 n ASN 218 Ca 0.04 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.71 1jj2 n ASN 218 Cb 0.05 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1jj2 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jj2 n ALA 219 N -1.16 2.36 -1.70 5.41 0.00 -0.84 -4.97 120.51 119.61 1jj2 n ALA 219 Ca 0.17 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 1jj2 n ALA 219 Cb 0.17 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.21 1jj2 n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jj2 s PRO 220 N -2.17 3.35 0.44 0.00 0.04 -1.26 -4.62 135.00 130.79 1jj2 s PRO 220 Ca 0.54 1.01 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 1jj2 s PRO 220 Cb -0.47 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1jj2 s PRO 220 CO 0.63 -0.77 1.36 -1.25 0.04 0.00 0.00 177.00 177.01 1jj2 s PRO 221 N -4.54 3.75 0.00 0.56 0.04 -1.26 -1.19 135.00 132.36 1jj2 s PRO 221 Ca 0.60 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1jj2 s PRO 221 Cb -0.14 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1jj2 s PRO 221 CO 0.44 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1jj2 n GLY 222 N 0.62 2.84 0.00 0.56 0.00 -1.26 -4.76 105.19 103.20 1jj2 n GLY 222 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1jj2 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jj2 n ARG 223 N -1.03 2.06 -2.28 1.61 0.63 -0.33 -4.72 116.66 112.60 1jj2 n ARG 223 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1jj2 n ARG 223 Cb 0.00 -0.90 -0.03 0.00 0.45 0.00 0.00 32.46 31.98 1jj2 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1jj2 s LYS 224 N -1.69 2.92 0.16 -0.14 2.20 -0.78 -4.89 119.74 117.53 1jj2 s LYS 224 Ca 0.00 -0.01 -0.10 0.00 -0.36 0.00 0.00 55.97 55.49 1jj2 s LYS 224 Cb 0.00 -4.52 -0.00 0.00 -1.51 0.00 0.00 37.83 31.79 1jj2 s LYS 224 CO 0.00 -2.56 0.31 0.14 -0.36 0.00 0.00 175.35 172.88 1jj2 s VAL 225 N 7.59 0.07 0.00 4.02 -7.23 -1.26 -4.99 120.40 118.59 1jj2 s VAL 225 Ca 0.54 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1jj2 s VAL 225 Cb -0.09 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1jj2 s VAL 225 CO 0.12 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1jj2 n GLY 226 N -0.22 0.57 3.40 2.32 0.00 -1.26 -4.55 105.19 105.44 1jj2 n GLY 226 Ca -0.09 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 1jj2 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jj2 s ASP 227 N -4.00 6.31 -0.11 1.61 1.01 -0.22 -4.97 116.67 116.30 1jj2 s ASP 227 Ca 0.00 -1.56 -0.29 0.00 0.71 0.00 0.00 52.55 51.40 1jj2 s ASP 227 Cb 0.00 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1jj2 s ASP 227 CO 0.00 -1.13 1.70 -0.63 0.21 0.00 0.00 175.17 175.32 1jj2 s ILE 228 N 2.75 3.55 -1.75 0.77 1.01 -1.26 -1.78 121.20 124.50 1jj2 s ILE 228 Ca 0.18 0.64 -0.15 0.00 0.00 0.00 0.00 60.65 61.32 1jj2 s ILE 228 Cb -0.18 -3.48 0.15 0.00 0.01 0.00 0.00 42.46 38.96 1jj2 s ILE 228 CO 0.03 -0.13 0.45 0.00 0.00 0.00 0.00 174.94 175.29 1jj2 n ALA 229 N 7.85 -1.48 -1.77 9.38 0.00 0.19 -4.81 120.51 129.86 1jj2 n ALA 229 Ca 0.19 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1jj2 n ALA 229 Cb 0.44 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 1jj2 n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jj2 s SER 230 N -3.63 6.45 0.49 0.00 1.04 -1.23 -4.85 113.70 111.97 1jj2 s SER 230 Ca 0.55 2.73 0.28 0.00 0.48 0.00 0.00 55.95 59.99 1jj2 s SER 230 Cb -0.32 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.07 1jj2 s SER 230 CO 1.00 -0.97 1.79 0.11 0.98 0.00 0.00 173.24 176.16 1jj2 h LYS 231 N 8.03 0.00 -1.76 4.02 1.57 -1.96 -3.47 116.57 123.01 1jj2 h LYS 231 Ca -0.45 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 58.60 1jj2 h LYS 231 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 1jj2 h LYS 231 CO 0.94 0.00 0.71 -0.98 -0.57 0.00 0.00 179.45 179.56 1jj2 s ARG 232 N -3.43 0.65 0.29 3.15 1.70 -1.26 -5.19 118.95 114.84 1jj2 s ARG 232 Ca 0.04 -0.34 0.01 0.00 -0.47 0.00 0.00 55.73 54.97 1jj2 s ARG 232 Cb 0.07 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1jj2 s ARG 232 CO 0.61 -0.29 0.28 0.95 -1.08 0.00 0.00 175.30 175.77 1jj2 s THR 233 N -2.72 0.00 0.00 4.99 -4.23 -1.26 -5.12 115.64 107.30 1jj2 s THR 233 Ca 0.13 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1jj2 s THR 233 Cb 0.02 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1jj2 s THR 233 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1jj2 n GLY 234 N -0.48 -0.72 0.00 3.99 0.00 -1.26 -4.70 105.19 102.02 1jj2 n GLY 234 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1jj2 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jj2 n ARG 235 N -0.03 2.70 -1.64 1.61 1.74 -1.26 -5.08 116.66 114.69 1jj2 n ARG 235 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1jj2 n ARG 235 Cb 0.00 -0.88 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1jj2 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 236 N 2.31 0.06 2.36 -0.13 0.00 -1.26 -5.29 105.19 103.23 1jj2 n GLY 236 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jj2 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93