#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc1 s SER 2 N 0.00 -0.24 0.22 3.17 1.04 -1.26 -4.93 113.70 111.70 1jc1 s SER 2 Ca 0.00 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1jc1 s SER 2 Cb 0.00 0.54 0.22 0.00 0.10 0.00 0.00 66.02 66.87 1jc1 s SER 2 CO 0.00 -0.98 1.55 0.50 0.98 0.00 0.00 173.24 175.29 1jc1 h LYS 3 N 2.27 0.36 -0.04 4.02 1.63 -1.91 -3.04 116.57 119.85 1jc1 h LYS 3 Ca -0.31 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.24 1jc1 h LYS 3 Cb 1.26 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1jc1 h LYS 3 CO 0.41 0.83 -0.07 0.78 -3.45 0.00 0.00 179.45 177.95 1jc1 h GLY 4 N 1.29 0.06 1.77 5.01 0.00 -1.74 -1.30 103.07 108.17 1jc1 h GLY 4 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1jc1 h GLY 4 CO 0.10 0.03 0.05 1.05 0.00 0.00 0.00 176.54 177.76 1jc1 h GLU 5 N 0.06 0.30 0.00 4.80 4.11 -1.68 -0.20 114.58 121.96 1jc1 h GLU 5 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jc1 h GLU 5 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jc1 h GLU 5 CO 0.01 0.28 0.00 0.93 0.07 0.00 0.00 179.01 180.30 1jc1 h GLU 6 N 0.30 0.00 0.00 1.06 4.39 -1.38 -0.54 114.58 118.40 1jc1 h GLU 6 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1jc1 h GLU 6 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1jc1 h GLU 6 CO -0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1jc1 n LEU 7 N -2.93 0.22 -0.05 1.33 4.77 -0.09 -3.04 117.00 117.22 1jc1 n LEU 7 Ca -0.02 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 1jc1 n LEU 7 Cb 0.12 -0.52 0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1jc1 n LEU 7 CO 0.20 -0.32 0.53 0.49 -1.33 0.00 0.00 177.39 176.96 1jc1 n PHE 8 N -1.74 0.00 0.26 -1.77 3.72 -0.21 -4.74 117.46 112.98 1jc1 n PHE 8 Ca 0.03 -0.75 0.15 0.00 -0.05 0.00 0.00 57.45 56.84 1jc1 n PHE 8 Cb 0.21 -0.10 0.60 0.00 -0.94 0.00 0.00 39.48 39.25 1jc1 n PHE 8 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1jc1 h THR 9 N 0.20 0.12 -0.32 4.37 2.02 -1.59 -3.39 112.91 114.32 1jc1 h THR 9 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1jc1 h THR 9 Cb 0.80 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1jc1 h THR 9 CO 0.00 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.55 1jc1 n GLY 10 N 0.13 4.43 3.72 2.16 0.00 -1.26 -4.71 105.19 109.65 1jc1 n GLY 10 Ca 0.01 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1jc1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc1 s VAL 11 N 3.59 5.15 -0.08 1.61 1.01 -1.26 -4.41 120.40 126.01 1jc1 s VAL 11 Ca 0.00 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1jc1 s VAL 11 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1jc1 s VAL 11 CO 0.00 0.32 -0.24 -0.69 0.00 0.00 0.00 175.10 174.49 1jc1 s VAL 12 N 0.60 2.13 0.32 2.92 1.01 0.26 -4.94 120.40 122.71 1jc1 s VAL 12 Ca 0.28 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 1jc1 s VAL 12 Cb -0.16 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 1jc1 s VAL 12 CO 0.12 0.57 1.14 -2.16 0.00 0.00 0.00 175.10 174.76 1jc1 s PRO 13 N 0.02 4.45 0.08 2.72 0.04 -1.26 0.14 135.00 141.19 1jc1 s PRO 13 Ca -0.09 1.84 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1jc1 s PRO 13 Cb -0.15 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1jc1 s PRO 13 CO 0.06 0.02 -0.16 0.42 0.04 0.00 0.00 177.00 177.38 1jc1 s ILE 14 N -1.25 1.31 0.00 0.56 1.01 0.33 -2.23 121.20 120.93 1jc1 s ILE 14 Ca 0.49 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1jc1 s ILE 14 Cb -0.32 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1jc1 s ILE 14 CO 0.41 -0.18 -0.13 -0.22 0.00 0.00 0.00 174.94 174.82 1jc1 s LEU 15 N -1.82 2.06 -0.01 2.97 2.96 -0.71 -0.54 118.68 123.58 1jc1 s LEU 15 Ca 0.01 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1jc1 s LEU 15 Cb -0.10 -0.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 1jc1 s LEU 15 CO 0.03 0.13 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.41 1jc1 s VAL 16 N -0.43 0.71 -0.15 1.68 1.01 -0.34 -0.65 120.40 122.23 1jc1 s VAL 16 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1jc1 s VAL 16 Cb -0.06 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.75 1jc1 s VAL 16 CO -0.00 0.21 -0.01 -1.61 0.00 0.00 0.00 175.10 173.69 1jc1 s GLU 17 N -0.04 1.00 -0.07 2.72 0.41 0.48 0.15 118.70 123.35 1jc1 s GLU 17 Ca 0.01 -0.35 0.05 0.00 -0.41 0.00 0.00 54.97 54.27 1jc1 s GLU 17 Cb -0.05 -1.81 -0.01 0.00 -1.78 0.00 0.00 34.13 30.48 1jc1 s GLU 17 CO -0.00 -0.47 -0.23 -1.17 -0.49 0.00 0.00 175.26 172.90 1jc1 s LEU 18 N 1.78 2.04 -0.16 1.80 2.96 0.60 0.56 118.68 128.25 1jc1 s LEU 18 Ca 0.01 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1jc1 s LEU 18 Cb -0.15 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1jc1 s LEU 18 CO -0.07 0.20 -0.18 -1.81 -1.32 0.00 0.00 176.35 173.17 1jc1 s ASP 19 N 0.06 3.40 0.06 3.68 1.01 0.64 -0.35 116.67 125.17 1jc1 s ASP 19 Ca -0.09 -0.55 -0.00 0.00 0.71 0.00 0.00 52.55 52.62 1jc1 s ASP 19 Cb -0.15 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 1jc1 s ASP 19 CO 0.05 0.05 -0.04 -0.83 0.21 0.00 0.00 175.17 174.61 1jc1 s GLY 20 N 1.00 0.55 -0.05 0.21 0.00 0.23 -0.61 107.32 108.64 1jc1 s GLY 20 Ca -0.02 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 1jc1 s GLY 20 CO -0.04 -1.31 -0.00 -0.35 0.00 0.00 0.00 173.10 171.39 1jc1 s ASP 21 N -2.84 0.94 -0.15 1.64 -1.08 0.22 -1.36 116.67 114.04 1jc1 s ASP 21 Ca 0.07 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 1jc1 s ASP 21 Cb 0.06 -0.32 0.03 0.00 -1.46 0.00 0.00 42.92 41.23 1jc1 s ASP 21 CO -0.08 -0.14 -0.11 -0.69 0.52 0.00 0.00 175.17 174.68 1jc1 s VAL 22 N 1.41 1.39 -1.12 1.11 1.01 0.56 0.20 120.40 124.97 1jc1 s VAL 22 Ca -0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1jc1 s VAL 22 Cb -0.13 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1jc1 s VAL 22 CO -0.03 0.34 0.29 0.59 0.00 0.00 0.00 175.10 176.29 1jc1 n ASN 23 N 4.81 -3.59 0.00 3.32 4.13 0.21 0.22 115.26 124.36 1jc1 n ASN 23 Ca -0.15 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 55.98 1jc1 n ASN 23 Cb 0.49 -3.01 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 1jc1 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jc1 n GLY 24 N -1.00 2.45 3.64 7.41 0.00 -1.26 -5.02 105.19 111.40 1jc1 n GLY 24 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jc1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jc1 s HIS 25 N -2.55 3.31 0.06 1.61 3.76 0.59 -5.01 115.29 117.07 1jc1 s HIS 25 Ca 0.00 1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 55.86 1jc1 s HIS 25 Cb 0.00 -3.01 -0.06 0.00 1.11 0.00 0.00 32.58 30.62 1jc1 s HIS 25 CO 0.00 -0.38 0.45 0.15 -0.85 0.00 0.00 174.74 174.11 1jc1 s LYS 26 N 2.74 3.89 0.00 1.40 1.02 -1.25 0.21 119.74 127.75 1jc1 s LYS 26 Ca 0.33 0.36 -0.28 0.00 0.02 0.00 0.00 55.97 56.40 1jc1 s LYS 26 Cb -0.15 -3.08 0.10 0.00 -0.52 0.00 0.00 37.83 34.18 1jc1 s LYS 26 CO 0.08 0.59 0.87 -0.59 -0.92 0.00 0.00 175.35 175.38 1jc1 s PHE 27 N -1.28 -0.36 -0.01 3.18 -0.71 -0.47 -4.93 117.98 113.40 1jc1 s PHE 27 Ca 0.30 0.22 -0.00 0.00 -1.04 0.00 0.00 56.93 56.41 1jc1 s PHE 27 Cb -0.15 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1jc1 s PHE 27 CO 0.17 -0.56 0.02 -1.12 -1.34 0.00 0.00 175.22 172.38 1jc1 s SER 28 N -2.50 0.02 -0.09 1.98 0.01 -1.26 -0.60 113.70 111.26 1jc1 s SER 28 Ca 0.05 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.37 1jc1 s SER 28 Cb -0.01 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.21 1jc1 s SER 28 CO -0.09 -0.06 -0.20 -0.69 0.41 0.00 0.00 173.24 172.61 1jc1 s VAL 29 N 0.46 1.75 -0.09 3.43 1.01 0.53 -0.58 120.40 126.90 1jc1 s VAL 29 Ca -0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1jc1 s VAL 29 Cb -0.05 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1jc1 s VAL 29 CO -0.01 0.49 -0.16 -0.44 0.00 0.00 0.00 175.10 174.98 1jc1 s SER 30 N 0.52 3.81 0.08 3.32 0.01 0.19 0.22 113.70 121.85 1jc1 s SER 30 Ca -0.16 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1jc1 s SER 30 Cb -0.17 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 1jc1 s SER 30 CO 0.06 0.23 -0.07 -0.83 0.41 0.00 0.00 173.24 173.04 1jc1 s GLY 31 N -0.05 0.71 -0.05 3.44 0.00 0.40 -0.36 107.32 111.42 1jc1 s GLY 31 Ca -0.04 -1.20 -0.10 0.00 0.00 0.00 0.00 44.72 43.38 1jc1 s GLY 31 CO 0.04 -1.29 0.25 -0.54 0.00 0.00 0.00 173.10 171.56 1jc1 s GLU 32 N -3.20 0.47 0.00 2.90 2.02 0.13 -1.20 118.70 119.82 1jc1 s GLU 32 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1jc1 s GLU 32 Cb 0.01 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1jc1 s GLU 32 CO -0.03 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1jc1 n GLY 33 N 2.01 -0.55 3.09 -1.39 0.00 0.30 -1.90 105.19 106.76 1jc1 n GLY 33 Ca -0.18 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 1jc1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jc1 s GLU 34 N -0.81 0.58 0.03 1.61 -1.05 -0.42 0.12 118.70 118.76 1jc1 s GLU 34 Ca 0.00 -1.00 0.07 0.00 -0.15 0.00 0.00 54.97 53.89 1jc1 s GLU 34 Cb 0.00 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 1jc1 s GLU 34 CO 0.00 -0.12 -0.18 0.20 0.95 0.00 0.00 175.26 176.11 1jc1 s GLY 35 N -2.51 1.55 -0.42 -3.83 0.00 0.12 -1.04 107.32 101.19 1jc1 s GLY 35 Ca 0.01 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.59 1jc1 s GLY 35 CO -0.08 -1.04 0.31 -0.35 0.00 0.00 0.00 173.10 171.95 1jc1 s ASP 36 N -1.32 2.21 0.55 1.64 -1.08 0.13 -0.58 116.67 118.23 1jc1 s ASP 36 Ca 0.14 -2.89 0.32 0.00 -0.52 0.00 0.00 52.55 49.60 1jc1 s ASP 36 Cb -0.10 -0.56 1.48 0.00 -1.46 0.00 0.00 42.92 42.27 1jc1 s ASP 36 CO 0.04 -0.20 1.86 0.00 0.52 0.00 0.00 175.17 177.39 1jc1 h ALA 37 N 6.02 2.78 -0.97 3.66 0.00 -1.75 0.32 119.26 129.32 1jc1 h ALA 37 Ca 0.19 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1jc1 h ALA 37 Cb 0.91 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1jc1 h ALA 37 CO 0.38 -1.12 0.61 1.15 0.00 0.00 0.00 179.25 180.27 1jc1 h THR 38 N 0.00 0.83 -0.00 0.00 2.02 -1.84 -0.91 112.91 113.01 1jc1 h THR 38 Ca 0.41 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1jc1 h THR 38 Cb 1.75 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1jc1 h THR 38 CO -0.00 0.15 -0.81 -1.22 0.37 0.00 0.00 175.52 174.01 1jc1 n TYR 39 N -4.63 0.00 -1.15 3.16 4.01 0.91 -4.94 117.16 114.52 1jc1 n TYR 39 Ca 0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.88 1jc1 n TYR 39 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1jc1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jc1 n GLY 40 N 1.42 0.77 3.82 2.72 0.00 0.05 -4.74 105.19 109.24 1jc1 n GLY 40 Ca 0.04 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1jc1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jc1 s LYS 41 N -2.09 3.77 -0.00 1.61 2.20 -1.11 -1.02 119.74 123.10 1jc1 s LYS 41 Ca 0.00 -0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.58 1jc1 s LYS 41 Cb 0.00 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1jc1 s LYS 41 CO 0.00 0.58 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.88 1jc1 s LEU 42 N -0.49 2.07 -0.12 5.43 1.43 -0.43 0.19 118.68 126.76 1jc1 s LEU 42 Ca 0.14 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1jc1 s LEU 42 Cb -0.12 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1jc1 s LEU 42 CO 0.03 0.20 -0.02 0.28 0.23 0.00 0.00 176.35 177.07 1jc1 s THR 43 N -0.52 0.70 0.03 5.49 -1.32 -0.20 -1.35 115.64 118.47 1jc1 s THR 43 Ca 0.07 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 1jc1 s THR 43 Cb -0.07 -0.88 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1jc1 s THR 43 CO -0.00 0.19 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.79 1jc1 s LEU 44 N 1.82 2.29 -0.08 9.08 1.43 0.60 -1.31 118.68 132.52 1jc1 s LEU 44 Ca 0.03 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1jc1 s LEU 44 Cb -0.14 0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.12 1jc1 s LEU 44 CO -0.07 -0.32 -0.17 -0.75 0.23 0.00 0.00 176.35 175.27 1jc1 s LYS 45 N -1.92 2.22 0.06 1.70 2.20 -0.80 0.12 119.74 123.32 1jc1 s LYS 45 Ca -0.10 -0.61 0.08 0.00 -0.36 0.00 0.00 55.97 54.98 1jc1 s LYS 45 Cb -0.07 -1.76 -0.03 0.00 -1.51 0.00 0.00 37.83 34.46 1jc1 s LYS 45 CO -0.02 0.11 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.82 1jc1 s PHE 46 N 0.48 2.52 0.01 4.03 0.40 -0.61 0.21 117.98 125.02 1jc1 s PHE 46 Ca -0.15 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 1jc1 s PHE 46 Cb -0.16 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 1jc1 s PHE 46 CO 0.06 0.27 0.06 -1.50 0.70 0.00 0.00 175.22 174.80 1jc1 s ILE 47 N -0.96 0.10 0.08 0.64 1.10 0.52 -0.66 121.20 122.02 1jc1 s ILE 47 Ca 0.15 -0.83 -0.27 0.00 -0.51 0.00 0.00 60.65 59.19 1jc1 s ILE 47 Cb -0.10 -0.39 -0.06 0.00 0.15 0.00 0.00 42.46 42.05 1jc1 s ILE 47 CO 0.06 -0.46 0.86 -0.55 -2.11 0.00 0.00 174.94 172.75 1jc1 s SER 48 N -1.48 7.36 -0.18 4.50 0.15 0.39 0.56 113.70 124.99 1jc1 s SER 48 Ca -0.15 1.62 0.16 0.00 0.70 0.00 0.00 55.95 58.29 1jc1 s SER 48 Cb -0.08 -2.53 0.45 0.00 -1.71 0.00 0.00 66.02 62.15 1jc1 s SER 48 CO -0.00 -0.02 1.33 0.35 1.20 0.00 0.00 173.24 176.10 1jc1 n THR 49 N 2.77 2.20 -1.50 6.45 -2.24 0.25 -4.42 114.28 117.78 1jc1 n THR 49 Ca -0.00 -2.19 0.01 0.00 -2.27 0.00 0.00 64.05 59.60 1jc1 n THR 49 Cb 0.50 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1jc1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jc1 n THR 50 N -0.92 0.24 -0.04 4.28 -2.24 -1.26 -4.91 114.28 109.43 1jc1 n THR 50 Ca 0.21 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jc1 n THR 50 Cb 0.82 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1jc1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jc1 n GLY 51 N -0.17 -2.58 2.66 3.38 0.00 -1.26 -4.89 105.19 102.33 1jc1 n GLY 51 Ca 0.02 -1.62 -0.46 0.00 0.00 0.00 0.00 46.02 43.95 1jc1 n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jc1 n LYS 52 N -0.84 0.00 -2.25 1.61 3.00 -1.26 -4.80 118.16 113.62 1jc1 n LYS 52 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1jc1 n LYS 52 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 35.03 33.90 1jc1 n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jc1 s LEU 53 N 0.98 4.47 0.57 3.14 1.43 -1.26 -4.90 118.68 123.10 1jc1 s LEU 53 Ca 0.72 2.50 0.35 0.00 -1.03 0.00 0.00 54.13 56.67 1jc1 s LEU 53 Cb -1.01 -3.64 1.55 0.00 0.03 0.00 0.00 46.19 43.12 1jc1 s LEU 53 CO 0.50 -0.41 2.05 1.55 0.23 0.00 0.00 176.35 180.28 1jc1 h PRO 54 N 3.87 0.00 -6.23 1.29 0.13 -1.92 -3.44 132.00 125.70 1jc1 h PRO 54 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 1jc1 h PRO 54 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1jc1 h PRO 54 CO 0.68 0.01 -0.78 0.14 -0.23 0.00 0.00 178.00 177.81 1jc1 s VAL 55 N -3.76 2.24 0.25 1.56 -7.23 -1.26 -4.66 120.40 107.53 1jc1 s VAL 55 Ca -0.00 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.70 1jc1 s VAL 55 Cb 0.10 -2.13 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 1jc1 s VAL 55 CO 0.52 -0.31 1.52 -2.84 -0.31 0.00 0.00 175.10 173.69 1jc1 s PRO 56 N -3.10 4.20 0.27 4.82 0.02 -1.26 -4.92 135.00 135.03 1jc1 s PRO 56 Ca 0.23 2.42 -0.02 0.00 0.02 0.00 0.00 61.00 63.66 1jc1 s PRO 56 Cb -0.06 -3.08 0.59 0.00 0.02 0.00 0.00 34.50 31.97 1jc1 s PRO 56 CO 0.11 -0.53 1.64 -1.49 -0.33 0.00 0.00 177.00 176.39 1jc1 h TRP 57 N 5.24 0.14 -0.37 6.54 -0.00 -1.96 -0.54 115.95 125.00 1jc1 h TRP 57 Ca -0.46 0.05 0.08 0.00 -0.00 0.00 0.00 58.89 58.57 1jc1 h TRP 57 Cb 1.22 0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 30.43 1jc1 h TRP 57 CO 0.60 -0.24 0.26 -1.35 -0.00 0.00 0.00 178.44 177.71 1jc1 h PRO 58 N 0.15 0.14 0.00 0.49 0.11 -1.90 0.17 132.00 131.16 1jc1 h PRO 58 Ca 0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1jc1 h PRO 58 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1jc1 h PRO 58 CO -0.68 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 177.45 1jc1 n THR 59 N -4.46 0.75 0.93 -1.15 -2.24 -0.21 -2.50 114.28 105.40 1jc1 n THR 59 Ca 0.05 0.19 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 1jc1 n THR 59 Cb 0.34 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 1jc1 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jc1 n LEU 60 N -1.39 1.73 0.18 3.22 4.77 0.60 -4.70 117.00 121.40 1jc1 n LEU 60 Ca 0.06 -0.71 -0.15 0.00 -0.03 0.00 0.00 56.01 55.18 1jc1 n LEU 60 Cb 0.15 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1jc1 n LEU 60 CO 0.13 0.34 0.52 0.58 -1.33 0.00 0.00 177.39 177.62 1jc1 h VAL 61 N 1.81 0.00 -0.02 4.08 2.07 -1.48 0.49 116.25 123.21 1jc1 h VAL 61 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1jc1 h VAL 61 Cb 0.66 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1jc1 h VAL 61 CO 0.00 0.00 0.02 0.71 0.02 0.00 0.00 177.57 178.32 1jc1 h THR 62 N -0.76 0.64 0.07 2.57 1.35 -1.84 -1.92 112.91 113.02 1jc1 h THR 62 Ca -0.03 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.59 1jc1 h THR 62 Cb 0.70 0.98 0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1jc1 h THR 62 CO -0.14 0.00 -0.97 0.74 -0.25 0.00 0.00 175.52 174.90 1jc1 h THR 63 N 0.00 1.35 0.00 6.82 2.02 -1.65 -3.46 112.91 117.98 1jc1 h THR 63 Ca 0.01 -2.32 -0.24 0.00 0.77 0.00 0.00 66.41 64.64 1jc1 h THR 63 Cb 0.05 2.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1jc1 h THR 63 CO -0.00 0.69 1.93 0.18 0.37 0.00 0.00 175.52 178.69 1jc1 n LEU 64 N -3.97 3.20 0.00 2.58 4.77 0.17 -5.03 117.00 118.72 1jc1 n LEU 64 Ca -0.12 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1jc1 n LEU 64 Cb 0.86 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jc1 n LEU 64 CO 0.53 0.03 0.00 1.33 -1.33 0.00 0.00 177.39 177.95 1jc1 n VAL 68 N 4.34 0.00 0.13 4.08 0.24 -1.26 -5.02 118.33 120.84 1jc1 n VAL 68 Ca 0.29 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.66 1jc1 n VAL 68 Cb 0.11 0.00 0.36 0.00 -1.47 0.00 0.00 33.84 32.84 1jc1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jc1 n GLN 69 N 0.00 0.09 0.25 7.34 6.02 -1.26 -1.25 117.38 128.57 1jc1 n GLN 69 Ca 0.00 0.56 0.16 0.00 -0.01 0.00 0.00 57.00 57.71 1jc1 n GLN 69 Cb 0.00 -1.77 0.68 0.00 1.02 0.00 0.00 30.24 30.17 1jc1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jc1 n PHE 71 N -2.89 0.00 -1.67 0.00 3.72 -0.38 -4.71 117.46 111.54 1jc1 n PHE 71 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 1jc1 n PHE 71 Cb 0.27 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 1jc1 n PHE 71 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jc1 n SER 72 N -0.97 1.53 -4.49 4.37 7.64 -1.02 -3.88 113.62 116.80 1jc1 n SER 72 Ca 0.21 0.81 -0.43 0.00 1.01 0.00 0.00 58.87 60.46 1jc1 n SER 72 Cb 0.09 -1.49 -0.08 0.00 -1.01 0.00 0.00 64.21 61.72 1jc1 n SER 72 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1jc1 s ARG 73 N -3.18 3.15 -0.41 1.43 3.52 -0.88 -4.78 118.95 117.80 1jc1 s ARG 73 Ca 0.80 -0.65 -0.17 0.00 -0.13 0.00 0.00 55.73 55.57 1jc1 s ARG 73 Cb -0.39 -3.97 0.02 0.00 -1.56 0.00 0.00 34.95 29.05 1jc1 s ARG 73 CO 0.43 -0.92 0.45 0.71 -0.81 0.00 0.00 175.30 175.15 1jc1 s TYR 74 N 2.37 3.17 1.00 5.12 1.51 -1.26 -1.48 117.35 127.77 1jc1 s TYR 74 Ca 0.15 -0.30 -0.17 0.00 -1.01 0.00 0.00 57.07 55.74 1jc1 s TYR 74 Cb -0.16 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 1jc1 s TYR 74 CO 0.15 -0.68 -0.29 -2.30 -1.11 0.00 0.00 175.55 171.32 1jc1 n PRO 75 N 5.63 -0.38 -0.15 -1.71 -0.02 -1.26 -4.43 135.00 132.68 1jc1 n PRO 75 Ca -0.07 -0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 1jc1 n PRO 75 Cb 0.48 -1.45 0.06 0.00 -0.02 0.00 0.00 33.50 32.56 1jc1 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jc1 h ASP 76 N -1.40 -0.03 0.00 2.55 5.19 -2.00 0.19 116.42 120.92 1jc1 h ASP 76 Ca -0.45 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1jc1 h ASP 76 Cb 1.32 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1jc1 h ASP 76 CO 0.30 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.43 1jc1 n HIS 77 N -5.13 0.00 -0.01 4.55 1.44 -1.26 -2.71 115.22 112.10 1jc1 n HIS 77 Ca 0.05 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.84 1jc1 n HIS 77 Cb 0.23 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.22 1jc1 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1jc1 n MET 78 N -0.93 0.50 -0.11 -1.40 2.81 0.62 -4.66 117.12 113.94 1jc1 n MET 78 Ca 0.16 -0.15 0.22 0.00 -1.81 0.00 0.00 57.70 56.12 1jc1 n MET 78 Cb 0.07 -1.38 0.34 0.00 -0.71 0.00 0.00 33.22 31.53 1jc1 n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1jc1 n LYS 79 N -2.07 0.02 0.00 0.03 4.76 -0.80 0.16 118.16 120.26 1jc1 n LYS 79 Ca -0.03 0.97 0.08 0.00 -2.87 0.00 0.00 58.31 56.45 1jc1 n LYS 79 Cb 0.43 -2.44 0.45 0.00 -1.84 0.00 0.00 35.03 31.63 1jc1 n LYS 79 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jc1 n ARG 80 N -3.02 0.94 -0.10 1.97 5.12 -1.26 -2.75 116.66 117.56 1jc1 n ARG 80 Ca 0.18 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.17 1jc1 n ARG 80 Cb 1.38 -1.26 0.10 0.00 -1.16 0.00 0.00 32.46 31.52 1jc1 n ARG 80 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1jc1 n HIS 81 N -0.76 0.00 -3.17 -1.55 8.25 0.43 -4.59 115.22 113.83 1jc1 n HIS 81 Ca 0.11 -0.78 -0.45 0.00 -0.26 0.00 0.00 57.72 56.35 1jc1 n HIS 81 Cb 0.05 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1jc1 n HIS 81 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1jc1 n ASP 82 N -1.08 5.47 -0.34 0.41 2.03 -1.24 -4.44 116.55 117.36 1jc1 n ASP 82 Ca 0.11 -3.04 0.11 0.00 0.52 0.00 0.00 54.79 52.49 1jc1 n ASP 82 Cb 0.57 -1.44 0.30 0.00 -0.72 0.00 0.00 41.12 39.83 1jc1 n ASP 82 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1jc1 h PHE 83 N 6.71 1.02 -0.01 -0.67 3.57 -1.91 -2.57 116.94 123.08 1jc1 h PHE 83 Ca 0.23 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1jc1 h PHE 83 Cb 0.85 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1jc1 h PHE 83 CO 0.89 0.24 -0.44 0.74 -2.23 0.00 0.00 178.31 177.51 1jc1 h PHE 84 N 0.75 -1.26 -0.07 0.41 0.04 -1.88 -1.67 116.94 113.27 1jc1 h PHE 84 Ca 0.55 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 61.23 1jc1 h PHE 84 Cb 0.82 0.55 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 1jc1 h PHE 84 CO -0.02 -0.51 -0.55 0.87 -0.60 0.00 0.00 178.31 177.50 1jc1 h LYS 85 N -0.59 0.20 -0.89 1.51 1.57 -1.83 -3.12 116.57 113.41 1jc1 h LYS 85 Ca 0.04 -0.12 0.18 0.00 -1.87 0.00 0.00 60.65 58.88 1jc1 h LYS 85 Cb 0.67 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.88 1jc1 h LYS 85 CO -0.33 0.70 0.46 0.66 -0.57 0.00 0.00 179.45 180.37 1jc1 h SER 86 N 0.15 0.53 0.33 0.86 4.64 -0.98 0.35 113.55 119.43 1jc1 h SER 86 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1jc1 h SER 86 Cb 1.02 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1jc1 h SER 86 CO 0.08 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 1jc1 n ALA 87 N -2.42 1.91 -2.19 5.18 0.00 -0.68 -4.49 120.51 117.81 1jc1 n ALA 87 Ca 0.20 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1jc1 n ALA 87 Cb 0.53 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1jc1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jc1 s MET 88 N -2.59 3.44 0.05 0.00 1.00 0.12 0.29 119.30 121.61 1jc1 s MET 88 Ca 0.15 0.23 0.28 0.00 0.00 0.00 0.00 55.69 56.35 1jc1 s MET 88 Cb 0.11 -2.32 1.06 0.00 0.00 0.00 0.00 34.83 33.68 1jc1 s MET 88 CO 0.26 -0.33 1.84 -0.35 0.00 0.00 0.00 175.02 176.43 1jc1 n PRO 89 N -2.37 0.06 -0.07 2.03 -0.04 -1.26 -4.26 135.00 129.09 1jc1 n PRO 89 Ca 0.02 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1jc1 n PRO 89 Cb 0.55 -1.57 0.34 0.00 -0.04 0.00 0.00 33.50 32.78 1jc1 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jc1 h GLU 90 N 0.00 0.69 0.00 0.54 3.07 -1.90 -3.03 114.58 113.95 1jc1 h GLU 90 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1jc1 h GLU 90 Cb 0.56 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1jc1 h GLU 90 CO 0.00 0.50 0.00 0.41 -1.40 0.00 0.00 179.01 178.52 1jc1 n GLY 91 N -1.32 -1.73 3.42 -3.84 0.00 0.15 -4.71 105.19 97.15 1jc1 n GLY 91 Ca 0.04 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1jc1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jc1 s TYR 92 N 0.00 0.32 -0.16 1.61 -0.85 0.71 -1.61 117.35 117.37 1jc1 s TYR 92 Ca 0.00 -0.68 -0.08 0.00 -0.52 0.00 0.00 57.07 55.80 1jc1 s TYR 92 Cb 0.00 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 1jc1 s TYR 92 CO 0.00 -0.81 0.09 0.08 -1.52 0.00 0.00 175.55 173.39 1jc1 s VAL 93 N -3.97 5.08 -0.18 -3.49 1.01 0.12 0.51 120.40 119.48 1jc1 s VAL 93 Ca 0.18 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1jc1 s VAL 93 Cb 0.02 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1jc1 s VAL 93 CO 0.02 0.50 -0.19 -1.58 0.00 0.00 0.00 175.10 173.85 1jc1 s GLN 94 N -0.06 2.88 0.10 2.72 0.74 0.69 -1.32 119.66 125.41 1jc1 s GLN 94 Ca 0.08 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.73 1jc1 s GLN 94 Cb -0.12 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.44 1jc1 s GLN 94 CO 0.01 -0.22 -0.13 -1.83 -0.55 0.00 0.00 175.29 172.56 1jc1 s GLU 95 N 1.31 0.92 0.12 1.67 -1.05 0.11 -2.25 118.70 119.53 1jc1 s GLU 95 Ca 0.05 -1.15 0.01 0.00 -0.15 0.00 0.00 54.97 53.73 1jc1 s GLU 95 Cb -0.13 -0.78 -0.04 0.00 -0.44 0.00 0.00 34.13 32.74 1jc1 s GLU 95 CO -0.13 0.15 -0.01 1.03 0.95 0.00 0.00 175.26 177.26 1jc1 s ARG 96 N -2.48 0.90 -0.12 -4.83 0.52 0.10 -0.63 118.95 112.41 1jc1 s ARG 96 Ca 0.05 -1.40 -0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1jc1 s ARG 96 Cb -0.06 -0.03 0.03 0.00 0.52 0.00 0.00 34.95 35.41 1jc1 s ARG 96 CO 0.02 -0.13 -0.09 0.99 0.02 0.00 0.00 175.30 176.11 1jc1 s THR 97 N -3.80 1.13 -0.22 0.02 2.01 -0.21 -1.38 115.64 113.19 1jc1 s THR 97 Ca 0.18 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1jc1 s THR 97 Cb 0.07 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.44 1jc1 s THR 97 CO -0.01 0.37 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.61 1jc1 s ILE 98 N 1.66 3.27 -0.39 1.82 1.01 0.41 -1.73 121.20 127.25 1jc1 s ILE 98 Ca 0.05 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 1jc1 s ILE 98 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1jc1 s ILE 98 CO -0.09 0.40 0.27 -0.36 0.00 0.00 0.00 174.94 175.16 1jc1 s PHE 99 N 1.46 3.24 -0.27 3.97 0.40 -0.38 0.10 117.98 126.50 1jc1 s PHE 99 Ca 0.05 -0.57 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 1jc1 s PHE 99 Cb -0.14 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.85 1jc1 s PHE 99 CO -0.04 -0.55 1.11 -0.06 0.70 0.00 0.00 175.22 176.38 1jc1 s PHE 100 N 1.67 3.13 0.16 0.36 0.40 -0.00 -1.71 117.98 121.98 1jc1 s PHE 100 Ca 0.05 1.23 -0.33 0.00 -0.60 0.00 0.00 56.93 57.28 1jc1 s PHE 100 Cb -0.19 -3.54 -0.16 0.00 0.51 0.00 0.00 43.02 39.64 1jc1 s PHE 100 CO 0.10 -0.89 1.19 1.17 0.70 0.00 0.00 175.22 177.49 1jc1 n LYS 101 N 6.69 1.18 -1.91 0.44 4.81 -0.28 -0.21 118.16 128.89 1jc1 n LYS 101 Ca 0.13 0.42 -0.13 0.00 -0.87 0.00 0.00 58.31 57.86 1jc1 n LYS 101 Cb 0.46 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.54 1jc1 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jc1 n ASP 102 N 2.09 -3.63 -0.09 3.14 8.00 -1.26 -4.85 116.55 119.94 1jc1 n ASP 102 Ca 0.15 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1jc1 n ASP 102 Cb 0.24 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 1jc1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jc1 n ASP 103 N -1.12 0.00 -3.46 -2.24 -0.08 0.71 -4.94 116.55 105.41 1jc1 n ASP 103 Ca -0.14 -0.09 -0.30 0.00 -1.51 0.00 0.00 54.79 52.76 1jc1 n ASP 103 Cb 0.51 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.23 1jc1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jc1 n GLY 104 N 0.00 -3.05 3.13 0.27 0.00 -1.19 -4.49 105.19 99.86 1jc1 n GLY 104 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1jc1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc1 s ASN 105 N -4.11 0.68 0.05 1.61 2.20 -0.15 -0.82 114.94 114.39 1jc1 s ASN 105 Ca 0.69 -1.05 0.07 0.00 -0.94 0.00 0.00 52.86 51.63 1jc1 s ASN 105 Cb -0.08 0.19 -0.03 0.00 -2.00 0.00 0.00 41.25 39.32 1jc1 s ASN 105 CO 0.54 -0.59 -0.18 -0.31 -2.94 0.00 0.00 177.10 173.63 1jc1 s TYR 106 N -3.85 2.57 -0.06 1.54 1.51 0.29 -0.21 117.35 119.14 1jc1 s TYR 106 Ca 0.13 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1jc1 s TYR 106 Cb 0.07 -1.46 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1jc1 s TYR 106 CO -0.05 0.27 -0.00 0.15 -1.11 0.00 0.00 175.55 174.80 1jc1 s LYS 107 N -1.49 0.55 0.09 -0.62 1.02 0.20 0.16 119.74 119.64 1jc1 s LYS 107 Ca 0.15 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.26 1jc1 s LYS 107 Cb -0.11 -0.82 -0.03 0.00 -0.52 0.00 0.00 37.83 36.35 1jc1 s LYS 107 CO 0.06 -0.23 -0.12 0.95 -0.92 0.00 0.00 175.35 175.09 1jc1 s THR 108 N 1.58 1.07 -0.01 2.17 -4.23 -0.48 0.68 115.64 116.43 1jc1 s THR 108 Ca -0.01 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1jc1 s THR 108 Cb -0.13 -1.22 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 1jc1 s THR 108 CO -0.03 -0.38 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.02 1jc1 s ARG 109 N -2.24 0.45 0.02 3.99 3.52 0.59 -0.72 118.95 124.56 1jc1 s ARG 109 Ca 0.02 -0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.21 1jc1 s ARG 109 Cb -0.07 -0.44 0.05 0.00 -1.56 0.00 0.00 34.95 32.93 1jc1 s ARG 109 CO 0.02 0.11 0.49 0.00 -0.81 0.00 0.00 175.30 175.11 1jc1 s ALA 110 N -0.08 -1.26 -0.08 6.12 0.00 -0.95 0.12 121.76 125.62 1jc1 s ALA 110 Ca 0.02 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1jc1 s ALA 110 Cb -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1jc1 s ALA 110 CO -0.00 -0.44 -0.21 -1.21 0.00 0.00 0.00 175.76 173.90 1jc1 s GLU 111 N -2.11 2.86 -0.23 0.00 2.02 -0.26 -0.22 118.70 120.76 1jc1 s GLU 111 Ca -0.07 -0.82 -0.04 0.00 0.02 0.00 0.00 54.97 54.06 1jc1 s GLU 111 Cb -0.01 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 1jc1 s GLU 111 CO 0.01 0.32 -0.04 0.08 0.02 0.00 0.00 175.26 175.65 1jc1 s VAL 112 N 0.01 3.38 0.03 2.63 1.01 0.18 -1.13 120.40 126.51 1jc1 s VAL 112 Ca -0.07 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1jc1 s VAL 112 Cb -0.15 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.77 1jc1 s VAL 112 CO 0.05 0.39 1.08 -1.59 0.00 0.00 0.00 175.10 175.03 1jc1 s LYS 113 N 1.47 0.77 -0.05 2.72 -2.85 -0.57 -0.21 119.74 121.03 1jc1 s LYS 113 Ca 0.05 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.33 1jc1 s LYS 113 Cb -0.15 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1jc1 s LYS 113 CO -0.03 -0.35 1.10 -0.06 0.10 0.00 0.00 175.35 176.11 1jc1 s PHE 114 N -2.89 3.39 -0.35 1.78 0.08 -1.15 0.44 117.98 119.28 1jc1 s PHE 114 Ca 0.11 1.42 0.03 0.00 0.12 0.00 0.00 56.93 58.61 1jc1 s PHE 114 Cb 0.01 -3.30 0.10 0.00 -0.57 0.00 0.00 43.02 39.26 1jc1 s PHE 114 CO -0.02 -0.76 0.08 -1.21 -0.10 0.00 0.00 175.22 173.21 1jc1 s GLU 115 N 1.87 1.34 7.18 0.44 2.02 0.39 -4.93 118.70 127.01 1jc1 s GLU 115 Ca 0.53 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1jc1 s GLU 115 Cb -0.22 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1jc1 s GLU 115 CO 0.22 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1jc1 n GLY 116 N 4.27 2.70 0.80 -1.39 0.00 -1.26 -0.67 105.19 109.64 1jc1 n GLY 116 Ca 0.03 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1jc1 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jc1 n ASP 117 N 9.91 2.50 -4.44 1.61 5.68 -1.26 -4.93 116.55 125.62 1jc1 n ASP 117 Ca 0.00 -1.83 -0.29 0.00 -0.50 0.00 0.00 54.79 52.18 1jc1 n ASP 117 Cb 0.00 -0.03 -0.12 0.00 -1.14 0.00 0.00 41.12 39.83 1jc1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1jc1 s THR 118 N -1.94 2.55 -0.41 2.12 2.01 0.15 -4.40 115.64 115.72 1jc1 s THR 118 Ca 0.32 -1.68 -0.25 0.00 0.31 0.00 0.00 61.69 60.39 1jc1 s THR 118 Cb 0.20 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1jc1 s THR 118 CO 0.31 0.06 0.88 -0.22 -0.69 0.00 0.00 174.62 174.97 1jc1 s LEU 119 N -2.20 4.05 -0.04 4.42 1.98 -0.95 0.15 118.68 126.09 1jc1 s LEU 119 Ca 0.17 0.28 0.05 0.00 -2.89 0.00 0.00 54.13 51.73 1jc1 s LEU 119 Cb -0.10 -3.16 -0.03 0.00 0.66 0.00 0.00 46.19 43.57 1jc1 s LEU 119 CO 0.09 -0.92 -0.17 0.68 -1.89 0.00 0.00 176.35 174.13 1jc1 s VAL 120 N 3.50 2.82 -0.34 1.68 -7.23 0.17 -1.74 120.40 119.26 1jc1 s VAL 120 Ca 0.36 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1jc1 s VAL 120 Cb -0.11 -2.09 0.08 0.00 0.56 0.00 0.00 36.38 34.82 1jc1 s VAL 120 CO 0.22 0.57 0.07 0.21 -0.31 0.00 0.00 175.10 175.86 1jc1 s ASN 121 N -0.76 4.96 -0.22 4.85 2.47 0.18 -1.51 114.94 124.91 1jc1 s ASN 121 Ca 0.11 -1.72 -0.05 0.00 0.42 0.00 0.00 52.86 51.63 1jc1 s ASN 121 Cb -0.10 -1.72 -0.02 0.00 -1.45 0.00 0.00 41.25 37.96 1jc1 s ASN 121 CO 0.01 -0.38 -0.01 0.00 -3.72 0.00 0.00 177.10 173.00 1jc1 s ARG 122 N 1.13 3.49 0.03 0.43 1.70 -0.28 -0.39 118.95 125.06 1jc1 s ARG 122 Ca 0.02 -0.57 0.04 0.00 -0.47 0.00 0.00 55.73 54.76 1jc1 s ARG 122 Cb -0.21 -3.10 -0.02 0.00 -0.57 0.00 0.00 34.95 31.06 1jc1 s ARG 122 CO -0.04 -0.16 -0.13 0.42 -1.08 0.00 0.00 175.30 174.31 1jc1 s ILE 123 N 1.42 1.04 -0.17 4.99 1.01 0.19 -1.10 121.20 128.58 1jc1 s ILE 123 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1jc1 s ILE 123 Cb -0.15 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1jc1 s ILE 123 CO -0.01 0.03 -0.11 -1.61 0.00 0.00 0.00 174.94 173.25 1jc1 s GLU 124 N -0.99 3.31 -0.10 2.79 2.02 0.12 0.23 118.70 126.08 1jc1 s GLU 124 Ca 0.02 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.33 1jc1 s GLU 124 Cb -0.07 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1jc1 s GLU 124 CO 0.01 -0.02 -0.11 -1.17 0.02 0.00 0.00 175.26 173.99 1jc1 s LEU 125 N 0.95 1.50 -0.20 1.80 0.20 0.22 -0.30 118.68 122.84 1jc1 s LEU 125 Ca -0.02 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.41 1jc1 s LEU 125 Cb -0.15 -0.92 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 1jc1 s LEU 125 CO -0.01 -0.03 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.26 1jc1 s LYS 126 N 1.17 3.57 -0.14 1.98 2.36 0.21 0.71 119.74 129.60 1jc1 s LYS 126 Ca -0.04 -0.54 0.01 0.00 -2.55 0.00 0.00 55.97 52.85 1jc1 s LYS 126 Cb -0.14 -3.06 0.00 0.00 -1.05 0.00 0.00 37.83 33.58 1jc1 s LYS 126 CO -0.03 -0.03 -0.18 0.20 1.55 0.00 0.00 175.35 176.86 1jc1 s GLY 127 N 1.09 1.42 0.23 5.54 0.00 0.54 -0.63 107.32 115.52 1jc1 s GLY 127 Ca 0.02 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 43.78 1jc1 s GLY 127 CO 0.01 -0.05 -0.13 -0.26 0.00 0.00 0.00 173.10 172.67 1jc1 s ILE 128 N 0.72 1.79 -1.46 0.90 -4.36 0.70 -0.62 121.20 118.88 1jc1 s ILE 128 Ca -0.08 -2.21 -0.03 0.00 -0.26 0.00 0.00 60.65 58.07 1jc1 s ILE 128 Cb -0.16 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1jc1 s ILE 128 CO 0.01 -0.50 0.40 0.47 0.24 0.00 0.00 174.94 175.56 1jc1 n ASP 129 N -0.46 -5.62 -4.83 4.36 8.00 -1.26 -0.98 116.55 115.77 1jc1 n ASP 129 Ca -0.07 -0.19 -0.32 0.00 0.71 0.00 0.00 54.79 54.91 1jc1 n ASP 129 Cb 0.61 -4.50 -0.02 0.00 -0.02 0.00 0.00 41.12 37.19 1jc1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jc1 s PHE 130 N -3.07 3.27 -0.16 1.24 0.40 -1.26 -3.20 117.98 115.20 1jc1 s PHE 130 Ca 0.20 1.48 -0.12 0.00 -0.60 0.00 0.00 56.93 57.89 1jc1 s PHE 130 Cb -0.09 -2.88 -0.05 0.00 0.51 0.00 0.00 43.02 40.52 1jc1 s PHE 130 CO 0.25 -0.67 0.24 0.15 0.70 0.00 0.00 175.22 175.88 1jc1 s LYS 131 N -4.09 4.17 0.34 0.44 3.01 -1.26 -4.84 119.74 117.51 1jc1 s LYS 131 Ca 0.61 -0.00 0.11 0.00 -1.01 0.00 0.00 55.97 55.67 1jc1 s LYS 131 Cb -0.12 -3.40 1.03 0.00 -1.01 0.00 0.00 37.83 34.33 1jc1 s LYS 131 CO 0.34 0.31 1.57 0.93 0.51 0.00 0.00 175.35 179.01 1jc1 h GLU 132 N 6.49 0.00 -0.27 1.68 3.07 -1.95 0.39 114.58 123.99 1jc1 h GLU 132 Ca -0.42 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1jc1 h GLU 132 Cb 1.17 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1jc1 h GLU 132 CO 0.74 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.95 1jc1 n ASP 133 N -5.39 2.73 -4.61 1.42 5.75 -1.26 -3.52 116.55 111.67 1jc1 n ASP 133 Ca 0.30 -1.88 -0.28 0.00 -0.01 0.00 0.00 54.79 52.91 1jc1 n ASP 133 Cb 1.01 -0.17 0.20 0.00 -1.03 0.00 0.00 41.12 41.13 1jc1 n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jc1 s GLY 134 N -1.58 1.55 0.60 6.12 0.00 0.14 -4.54 107.32 109.62 1jc1 s GLY 134 Ca 0.35 -0.33 0.31 0.00 0.00 0.00 0.00 44.72 45.06 1jc1 s GLY 134 CO 0.30 0.34 2.21 3.43 0.00 0.00 0.00 173.10 179.37 1jc1 h ASN 135 N -2.17 0.00 0.00 1.64 2.35 -1.88 1.38 115.58 116.90 1jc1 h ASN 135 Ca -0.57 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 1jc1 h ASN 135 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 1jc1 h ASN 135 CO 0.56 0.00 0.00 -0.38 -1.65 0.00 0.00 177.43 175.96 1jc1 n ILE 136 N -3.73 0.00 -0.21 2.81 -0.00 -1.26 -0.64 119.36 116.33 1jc1 n ILE 136 Ca -0.01 0.11 0.23 0.00 -0.00 0.00 0.00 62.75 63.07 1jc1 n ILE 136 Cb 0.17 -0.36 0.60 0.00 -0.00 0.00 0.00 39.64 40.05 1jc1 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1jc1 h LEU 137 N 0.00 0.23 -1.90 1.39 3.38 -1.76 1.75 115.31 118.39 1jc1 h LEU 137 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jc1 h LEU 137 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jc1 h LEU 137 CO 0.00 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1jc1 n GLY 138 N -1.60 1.83 3.87 0.83 0.00 0.47 -4.91 105.19 105.69 1jc1 n GLY 138 Ca 0.19 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1jc1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jc1 n HIS 139 N 0.28 -0.77 -0.88 1.61 8.25 0.60 -4.83 115.22 119.48 1jc1 n HIS 139 Ca 0.11 0.09 0.08 0.00 -0.26 0.00 0.00 57.72 57.74 1jc1 n HIS 139 Cb 0.58 -1.59 0.25 0.00 1.12 0.00 0.00 29.99 30.34 1jc1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jc1 n LYS 140 N -3.30 2.92 -3.33 -0.41 5.02 0.18 -4.97 118.16 114.28 1jc1 n LYS 140 Ca -0.09 -2.73 -0.36 0.00 -2.02 0.00 0.00 58.31 53.10 1jc1 n LYS 140 Cb 0.34 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1jc1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jc1 s LEU 141 N -2.58 4.41 0.43 -0.35 1.43 -1.25 -2.45 118.68 118.32 1jc1 s LEU 141 Ca 0.40 1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 54.43 1jc1 s LEU 141 Cb 0.31 -3.13 -0.11 0.00 0.03 0.00 0.00 46.19 43.30 1jc1 s LEU 141 CO 0.10 0.17 0.96 -1.83 0.23 0.00 0.00 176.35 175.97 1jc1 s GLU 142 N -1.65 4.19 -0.93 1.70 -1.05 -0.49 -4.89 118.70 115.59 1jc1 s GLU 142 Ca 0.34 1.15 -0.24 0.00 -0.15 0.00 0.00 54.97 56.07 1jc1 s GLU 142 Cb -0.17 -2.18 0.04 0.00 -0.44 0.00 0.00 34.13 31.38 1jc1 s GLU 142 CO 0.19 -0.07 1.43 -0.47 0.95 0.00 0.00 175.26 177.29 1jc1 s TYR 143 N -2.15 2.42 0.07 4.83 5.04 -1.26 -4.83 117.35 121.47 1jc1 s TYR 143 Ca 0.62 -0.54 -0.14 0.00 -2.44 0.00 0.00 57.07 54.57 1jc1 s TYR 143 Cb -0.10 -4.65 0.05 0.00 0.35 0.00 0.00 41.96 37.61 1jc1 s TYR 143 CO 0.14 -1.98 0.66 0.27 -1.34 0.00 0.00 175.55 173.30 1jc1 n ASN 144 N 9.29 -0.94 -3.64 4.32 0.23 -1.26 -4.92 115.26 118.34 1jc1 n ASN 144 Ca 0.25 -1.42 -0.09 0.00 -0.53 0.00 0.00 54.58 52.79 1jc1 n ASN 144 Cb 0.50 1.51 -0.07 0.00 -2.08 0.00 0.00 39.78 39.64 1jc1 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1jc1 s TYR 145 N -3.31 -0.78 0.54 -2.53 5.04 -1.26 -4.89 117.35 110.17 1jc1 s TYR 145 Ca 0.15 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.49 1jc1 s TYR 145 Cb -0.01 0.42 0.03 0.00 0.35 0.00 0.00 41.96 42.74 1jc1 s TYR 145 CO 0.02 -0.38 0.78 -0.80 -1.34 0.00 0.00 175.55 173.83 1jc1 s ASN 146 N 0.89 5.37 0.24 4.32 0.01 -1.26 -4.60 114.94 119.91 1jc1 s ASN 146 Ca -0.04 0.12 -0.15 0.00 -0.71 0.00 0.00 52.86 52.09 1jc1 s ASN 146 Cb -0.05 -1.07 -0.08 0.00 0.41 0.00 0.00 41.25 40.46 1jc1 s ASN 146 CO -0.10 -1.08 0.65 0.00 -1.51 0.00 0.00 177.10 175.06 1jc1 s HIS 148 N -1.74 0.11 -0.17 0.00 3.76 -0.14 -4.98 115.29 112.13 1jc1 s HIS 148 Ca 0.47 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.83 1jc1 s HIS 148 Cb -0.13 0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 1jc1 s HIS 148 CO 0.19 -0.73 0.08 -0.80 -0.85 0.00 0.00 174.74 172.63 1jc1 s ASN 149 N -2.89 5.79 -0.24 1.40 0.02 -1.26 -1.50 114.94 116.26 1jc1 s ASN 149 Ca 0.10 0.16 -0.05 0.00 -1.02 0.00 0.00 52.86 52.05 1jc1 s ASN 149 Cb 0.02 -1.96 -0.01 0.00 0.02 0.00 0.00 41.25 39.33 1jc1 s ASN 149 CO -0.05 0.22 -0.01 -0.69 0.02 0.00 0.00 177.10 176.59 1jc1 s VAL 150 N 0.10 3.58 -0.34 1.60 1.01 0.89 -4.74 120.40 122.50 1jc1 s VAL 150 Ca 0.06 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 1jc1 s VAL 150 Cb -0.12 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1jc1 s VAL 150 CO 0.00 0.33 0.84 -0.31 0.00 0.00 0.00 175.10 175.97 1jc1 s TYR 151 N 1.49 3.14 -0.10 5.22 2.02 -0.91 0.40 117.35 128.60 1jc1 s TYR 151 Ca 0.05 0.77 -0.01 0.00 -0.37 0.00 0.00 57.07 57.51 1jc1 s TYR 151 Cb -0.15 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 37.97 1jc1 s TYR 151 CO -0.01 -0.69 -0.06 0.42 -1.57 0.00 0.00 175.55 173.64 1jc1 s ILE 152 N 3.18 3.74 0.06 2.71 1.01 0.25 -0.01 121.20 132.15 1jc1 s ILE 152 Ca 0.35 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1jc1 s ILE 152 Cb -0.13 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1jc1 s ILE 152 CO 0.15 0.56 -0.06 0.00 0.00 0.00 0.00 174.94 175.59 1jc1 s MET 153 N -0.30 0.62 0.48 2.79 0.23 0.24 -2.24 119.30 121.12 1jc1 s MET 153 Ca 0.04 -1.03 -0.23 0.00 -1.03 0.00 0.00 55.69 53.44 1jc1 s MET 153 Cb -0.13 -0.10 -0.07 0.00 -1.53 0.00 0.00 34.83 33.00 1jc1 s MET 153 CO 0.02 -0.02 1.30 0.00 -2.03 0.00 0.00 175.02 174.29 1jc1 s ALA 154 N -2.68 3.00 -0.74 3.16 0.00 -1.25 -0.07 121.76 123.18 1jc1 s ALA 154 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1jc1 s ALA 154 Cb -0.01 -3.50 0.32 0.00 0.00 0.00 0.00 23.12 19.93 1jc1 s ALA 154 CO -0.04 -1.04 1.20 -3.47 0.00 0.00 0.00 175.76 172.41 1jc1 n ASP 155 N -0.55 5.31 -0.36 0.00 2.03 0.38 -4.61 116.55 118.75 1jc1 n ASP 155 Ca 0.08 -3.64 -0.10 0.00 0.52 0.00 0.00 54.79 51.64 1jc1 n ASP 155 Cb 0.45 -0.78 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 1jc1 n ASP 155 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1jc1 h LYS 156 N 3.62 -0.07 0.00 -0.67 5.09 -1.95 0.53 116.57 123.12 1jc1 h LYS 156 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.00 1jc1 h LYS 156 Cb 0.48 0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.82 1jc1 h LYS 156 CO 0.95 -0.05 -0.01 -0.56 -2.09 0.00 0.00 179.45 177.70 1jc1 h GLN 157 N -0.07 0.00 -0.02 0.07 -0.00 -1.97 0.30 115.11 113.43 1jc1 h GLN 157 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1jc1 h GLN 157 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 1jc1 h GLN 157 CO -0.88 0.01 -0.02 1.63 -0.00 0.00 0.00 178.83 179.56 1jc1 n LYS 158 N -3.58 1.04 -2.73 0.06 4.01 -0.21 -4.97 118.16 111.78 1jc1 n LYS 158 Ca -0.03 -1.28 -0.19 0.00 -0.51 0.00 0.00 58.31 56.29 1jc1 n LYS 158 Cb 0.09 -1.26 0.02 0.00 -0.51 0.00 0.00 35.03 33.36 1jc1 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1jc1 n ASN 159 N 0.71 -5.53 0.00 4.39 4.05 0.16 -4.75 115.26 114.29 1jc1 n ASN 159 Ca 0.08 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1jc1 n ASN 159 Cb 0.35 -4.44 0.00 0.00 1.23 0.00 0.00 39.78 36.92 1jc1 n ASN 159 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jc1 n GLY 160 N -1.30 3.02 3.16 8.20 0.00 0.20 -4.48 105.19 113.99 1jc1 n GLY 160 Ca -0.14 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1jc1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jc1 s ILE 161 N 1.09 0.15 -0.03 -0.61 -4.36 -0.62 0.14 121.20 116.97 1jc1 s ILE 161 Ca 0.00 -1.72 0.06 0.00 -0.26 0.00 0.00 60.65 58.73 1jc1 s ILE 161 Cb 0.00 -1.73 -0.01 0.00 1.25 0.00 0.00 42.46 41.97 1jc1 s ILE 161 CO 0.00 -0.67 -0.21 -0.54 0.24 0.00 0.00 174.94 173.76 1jc1 s LYS 162 N -3.97 1.89 0.01 0.37 3.01 0.90 -2.39 119.74 119.56 1jc1 s LYS 162 Ca 0.14 -0.77 0.01 0.00 -1.01 0.00 0.00 55.97 54.35 1jc1 s LYS 162 Cb 0.07 -1.75 -0.01 0.00 -1.01 0.00 0.00 37.83 35.13 1jc1 s LYS 162 CO -0.05 0.41 -0.03 0.08 0.51 0.00 0.00 175.35 176.27 1jc1 s VAL 163 N -0.35 0.23 -0.00 3.17 1.01 -0.19 0.82 120.40 125.09 1jc1 s VAL 163 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1jc1 s VAL 163 Cb -0.10 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1jc1 s VAL 163 CO 0.00 -0.10 0.25 0.54 0.00 0.00 0.00 175.10 175.79 1jc1 s ASN 164 N -0.52 -0.11 0.00 3.32 4.22 0.99 -2.19 114.94 120.65 1jc1 s ASN 164 Ca -0.04 -0.05 -0.29 0.00 -2.14 0.00 0.00 52.86 50.35 1jc1 s ASN 164 Cb -0.04 0.28 0.10 0.00 1.28 0.00 0.00 41.25 42.88 1jc1 s ASN 164 CO -0.00 -0.45 0.98 0.72 -2.04 0.00 0.00 177.10 176.31 1jc1 s PHE 165 N -1.53 -0.24 -0.22 1.54 -0.71 -0.49 -2.15 117.98 114.18 1jc1 s PHE 165 Ca -0.13 0.08 0.01 0.00 -1.04 0.00 0.00 56.93 55.85 1jc1 s PHE 165 Cb -0.05 0.56 0.05 0.00 -1.21 0.00 0.00 43.02 42.37 1jc1 s PHE 165 CO 0.02 -0.54 -0.09 0.21 -1.34 0.00 0.00 175.22 173.48 1jc1 s LYS 166 N -3.00 2.00 0.12 1.99 2.47 -1.26 0.74 119.74 122.80 1jc1 s LYS 166 Ca 0.08 -0.98 -0.16 0.00 -1.56 0.00 0.00 55.97 53.35 1jc1 s LYS 166 Cb -0.01 -2.56 -0.07 0.00 -1.46 0.00 0.00 37.83 33.73 1jc1 s LYS 166 CO -0.05 -0.49 0.55 0.42 0.16 0.00 0.00 175.35 175.94 1jc1 s ILE 167 N 1.33 4.83 -0.21 5.43 -1.09 -0.53 -4.90 121.20 126.06 1jc1 s ILE 167 Ca -0.04 0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 59.30 1jc1 s ILE 167 Cb -0.18 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1jc1 s ILE 167 CO -0.07 0.33 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.73 1jc1 s ARG 168 N -1.72 3.13 -0.34 2.79 0.52 -1.26 -1.79 118.95 120.28 1jc1 s ARG 168 Ca 0.35 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.74 1jc1 s ARG 168 Cb -0.16 -2.82 0.05 0.00 0.52 0.00 0.00 34.95 32.54 1jc1 s ARG 168 CO 0.19 -0.23 0.10 -1.01 0.02 0.00 0.00 175.30 174.36 1jc1 s HIS 169 N 1.38 3.28 0.21 -0.53 3.76 0.68 -4.61 115.29 119.45 1jc1 s HIS 169 Ca 0.05 -1.59 -0.32 0.00 -0.15 0.00 0.00 55.06 53.04 1jc1 s HIS 169 Cb -0.14 -2.35 -0.13 0.00 1.11 0.00 0.00 32.58 31.06 1jc1 s HIS 169 CO -0.08 -0.77 1.56 0.09 -0.85 0.00 0.00 174.74 174.70 1jc1 n ASN 170 N 4.76 3.28 -4.90 1.40 3.02 -1.26 -1.28 115.26 120.28 1jc1 n ASN 170 Ca -0.12 1.10 -0.32 0.00 -0.03 0.00 0.00 54.58 55.21 1jc1 n ASN 170 Cb 0.44 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.09 1jc1 n ASN 170 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jc1 s ILE 171 N 0.59 5.34 0.36 2.41 -1.09 0.46 -1.40 121.20 127.87 1jc1 s ILE 171 Ca 0.73 -0.27 0.19 0.00 -2.23 0.00 0.00 60.65 59.07 1jc1 s ILE 171 Cb -0.62 -3.53 0.35 0.00 -1.58 0.00 0.00 42.46 37.08 1jc1 s ILE 171 CO 0.41 0.26 1.62 -0.33 -1.23 0.00 0.00 174.94 175.67 1jc1 h GLU 172 N 3.57 0.16 0.00 2.79 5.08 -1.75 -0.60 114.58 123.83 1jc1 h GLU 172 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1jc1 h GLU 172 Cb 1.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1jc1 h GLU 172 CO 0.71 0.11 0.00 -0.40 -1.00 0.00 0.00 179.01 178.42 1jc1 n ASP 173 N -5.11 0.00 0.00 1.42 5.75 -1.26 -4.84 116.55 112.51 1jc1 n ASP 173 Ca 0.35 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 1jc1 n ASP 173 Cb 1.15 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 1jc1 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jc1 n GLY 174 N 0.53 0.88 3.95 6.12 0.00 -0.24 -5.04 105.19 111.39 1jc1 n GLY 174 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1jc1 n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jc1 s SER 175 N -2.96 5.46 0.12 1.61 0.15 -1.22 -4.84 113.70 112.02 1jc1 s SER 175 Ca 0.00 0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.05 1jc1 s SER 175 Cb 0.00 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1jc1 s SER 175 CO 0.00 -1.05 -0.19 -0.69 1.20 0.00 0.00 173.24 172.51 1jc1 s VAL 176 N -2.82 2.78 -0.30 4.45 1.01 -1.26 0.17 120.40 124.43 1jc1 s VAL 176 Ca 0.54 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1jc1 s VAL 176 Cb -0.10 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.07 1jc1 s VAL 176 CO 0.41 0.10 -0.01 -1.58 0.00 0.00 0.00 175.10 174.02 1jc1 s GLN 177 N -2.12 2.20 0.35 2.72 2.00 -0.40 -4.89 119.66 119.50 1jc1 s GLN 177 Ca 0.17 -1.43 -0.24 0.00 -2.00 0.00 0.00 55.36 51.86 1jc1 s GLN 177 Cb -0.10 -3.12 -0.10 0.00 0.80 0.00 0.00 33.01 30.48 1jc1 s GLN 177 CO 0.10 -0.69 0.93 -0.51 -0.50 0.00 0.00 175.29 174.61 1jc1 s LEU 178 N 1.14 4.22 -0.28 3.68 1.02 -1.26 -0.23 118.68 126.97 1jc1 s LEU 178 Ca -0.03 1.75 -0.04 0.00 0.02 0.00 0.00 54.13 55.83 1jc1 s LEU 178 Cb -0.20 -4.14 0.10 0.00 0.02 0.00 0.00 46.19 41.97 1jc1 s LEU 178 CO -0.04 -0.15 0.14 0.00 0.02 0.00 0.00 176.35 176.33 1jc1 s ALA 179 N -1.78 0.50 -0.30 4.21 0.00 -0.74 -1.13 121.76 122.51 1jc1 s ALA 179 Ca 0.53 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1jc1 s ALA 179 Cb -0.15 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1jc1 s ALA 179 CO 0.20 -1.60 1.05 0.34 0.00 0.00 0.00 175.76 175.75 1jc1 s ASP 180 N 2.13 6.94 -0.19 0.00 -1.08 -0.70 -1.45 116.67 122.32 1jc1 s ASP 180 Ca 0.08 1.08 -0.08 0.00 -0.52 0.00 0.00 52.55 53.11 1jc1 s ASP 180 Cb -0.16 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.73 1jc1 s ASP 180 CO -0.34 -0.83 0.07 -1.00 0.52 0.00 0.00 175.17 173.60 1jc1 s HIS 181 N 3.54 3.24 -0.16 -5.34 3.76 0.23 -1.24 115.29 119.31 1jc1 s HIS 181 Ca 0.44 0.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1jc1 s HIS 181 Cb -0.13 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.46 1jc1 s HIS 181 CO 0.14 0.10 -0.19 0.71 -0.85 0.00 0.00 174.74 174.65 1jc1 s TYR 182 N 0.55 2.74 -0.00 1.40 2.02 -0.71 -1.40 117.35 121.94 1jc1 s TYR 182 Ca 0.04 -1.30 -0.03 0.00 -0.37 0.00 0.00 57.07 55.41 1jc1 s TYR 182 Cb -0.13 -1.87 -0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1jc1 s TYR 182 CO 0.01 -0.61 0.06 -1.14 -1.57 0.00 0.00 175.55 172.29 1jc1 s GLN 183 N 0.95 0.25 -0.00 -0.62 0.74 -0.93 -1.05 119.66 119.00 1jc1 s GLN 183 Ca -0.03 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1jc1 s GLN 183 Cb -0.15 0.10 -0.00 0.00 1.10 0.00 0.00 33.01 34.06 1jc1 s GLN 183 CO -0.04 -0.05 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.48 1jc1 s GLN 184 N -0.79 0.26 -0.06 1.67 0.74 0.20 -1.02 119.66 120.65 1jc1 s GLN 184 Ca -0.09 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.18 1jc1 s GLN 184 Cb -0.05 -0.23 0.02 0.00 1.10 0.00 0.00 33.01 33.85 1jc1 s GLN 184 CO 0.00 0.06 -0.04 -0.80 -0.55 0.00 0.00 175.29 173.96 1jc1 s ASN 185 N -0.15 1.40 0.02 6.67 -0.87 -1.01 0.04 114.94 121.04 1jc1 s ASN 185 Ca 0.00 -0.16 0.04 0.00 -1.57 0.00 0.00 52.86 51.17 1jc1 s ASN 185 Cb -0.02 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.25 40.66 1jc1 s ASN 185 CO -0.00 -0.10 -0.11 0.42 -2.57 0.00 0.00 177.10 174.74 1jc1 s THR 186 N 1.32 0.85 0.67 1.60 -4.23 -0.44 -1.58 115.64 113.83 1jc1 s THR 186 Ca -0.04 -0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 59.53 1jc1 s THR 186 Cb -0.14 -0.78 0.01 0.00 1.34 0.00 0.00 72.50 72.93 1jc1 s THR 186 CO -0.02 0.01 1.19 -2.16 -0.54 0.00 0.00 174.62 173.10 1jc1 s PRO 187 N -0.85 2.56 -0.12 3.99 0.04 -1.26 -0.70 135.00 138.66 1jc1 s PRO 187 Ca 0.00 1.70 0.09 0.00 0.04 0.00 0.00 61.00 62.84 1jc1 s PRO 187 Cb -0.06 -1.89 -0.24 0.00 0.04 0.00 0.00 34.50 32.35 1jc1 s PRO 187 CO 0.00 -1.50 0.37 -0.89 0.04 0.00 0.00 177.00 175.03 1jc1 n ILE 188 N -2.27 1.58 -2.46 0.56 5.41 -0.63 -4.74 119.36 116.80 1jc1 n ILE 188 Ca 0.13 -0.76 -0.05 0.00 1.00 0.00 0.00 62.75 63.07 1jc1 n ILE 188 Cb 0.50 -1.07 0.02 0.00 -0.71 0.00 0.00 39.64 38.39 1jc1 n ILE 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jc1 n GLY 189 N 1.76 0.98 0.00 7.39 0.00 -1.26 -5.01 105.19 109.06 1jc1 n GLY 189 Ca -0.27 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 43.83 1jc1 n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jc1 n ASP 190 N -2.96 0.83 -4.20 1.61 9.92 -1.26 -5.03 116.55 115.46 1jc1 n ASP 190 Ca 0.04 -0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 53.20 1jc1 n ASP 190 Cb 0.13 1.09 0.23 0.00 -0.64 0.00 0.00 41.12 41.93 1jc1 n ASP 190 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jc1 n GLY 191 N 1.41 -2.51 3.74 0.44 0.00 -1.26 -4.95 105.19 102.07 1jc1 n GLY 191 Ca 0.03 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1jc1 n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jc1 s PRO 192 N -4.05 4.59 0.24 1.61 0.04 -1.26 -5.06 135.00 131.11 1jc1 s PRO 192 Ca 0.62 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.97 1jc1 s PRO 192 Cb -0.18 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1jc1 s PRO 192 CO 0.63 0.31 0.05 0.14 0.04 0.00 0.00 177.00 178.17 1jc1 s VAL 193 N -0.24 3.78 0.13 -0.36 -7.23 -1.26 -4.81 120.40 110.41 1jc1 s VAL 193 Ca 0.41 -1.64 -0.28 0.00 -1.81 0.00 0.00 61.98 58.66 1jc1 s VAL 193 Cb -0.22 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.66 1jc1 s VAL 193 CO 0.26 -0.29 0.89 -0.76 -0.31 0.00 0.00 175.10 174.89 1jc1 s LEU 194 N -3.50 4.53 -0.59 1.32 1.43 -1.26 -5.03 118.68 115.58 1jc1 s LEU 194 Ca 0.31 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 1jc1 s LEU 194 Cb -0.08 -3.47 0.15 0.00 0.03 0.00 0.00 46.19 42.82 1jc1 s LEU 194 CO 0.21 0.04 0.36 -0.76 0.23 0.00 0.00 176.35 176.42 1jc1 s LEU 195 N -0.40 4.67 0.65 1.79 1.43 -1.26 -3.87 118.68 121.68 1jc1 s LEU 195 Ca 0.42 -3.11 -0.17 0.00 -1.03 0.00 0.00 54.13 50.24 1jc1 s LEU 195 Cb -0.23 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1jc1 s LEU 195 CO 0.28 -0.25 1.07 -0.81 0.23 0.00 0.00 176.35 176.88 1jc1 n PRO 196 N 3.03 0.85 -1.32 1.29 -0.04 -1.26 -4.94 135.00 132.61 1jc1 n PRO 196 Ca 0.08 0.34 -0.30 0.00 -0.04 0.00 0.00 63.50 63.58 1jc1 n PRO 196 Cb 0.34 -2.30 0.11 0.00 -0.04 0.00 0.00 33.50 31.61 1jc1 n PRO 196 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jc1 s ASP 197 N -1.41 3.99 0.71 3.54 1.01 -1.26 -3.89 116.67 119.35 1jc1 s ASP 197 Ca 0.78 1.51 -0.15 0.00 0.71 0.00 0.00 52.55 55.39 1jc1 s ASP 197 Cb -0.38 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1jc1 s ASP 197 CO 0.45 -2.32 1.19 0.20 0.21 0.00 0.00 175.17 174.90 1jc1 s ASN 198 N -3.55 4.42 0.01 0.27 0.01 -1.26 -4.78 114.94 110.06 1jc1 s ASN 198 Ca 0.62 2.28 -0.19 0.00 -0.71 0.00 0.00 52.86 54.86 1jc1 s ASN 198 Cb -0.17 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 38.97 1jc1 s ASN 198 CO 0.56 -2.11 0.87 0.00 -1.51 0.00 0.00 177.10 174.91 1jc1 n HIS 199 N -2.61 -0.46 -4.10 2.20 1.44 -0.95 -4.97 115.22 105.77 1jc1 n HIS 199 Ca 0.13 -0.57 -0.10 0.00 -2.01 0.00 0.00 57.72 55.16 1jc1 n HIS 199 Cb 0.51 0.26 -0.08 0.00 0.12 0.00 0.00 29.99 30.80 1jc1 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1jc1 s TYR 200 N -2.51 0.78 -0.17 -1.40 -0.85 -0.60 0.88 117.35 113.47 1jc1 s TYR 200 Ca 0.20 -1.08 -0.03 0.00 -0.52 0.00 0.00 57.07 55.64 1jc1 s TYR 200 Cb -0.01 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.04 1jc1 s TYR 200 CO 0.00 -0.72 -0.05 -0.51 -1.52 0.00 0.00 175.55 172.75 1jc1 s LEU 201 N -3.07 3.09 -0.40 -3.49 1.43 0.16 -1.57 118.68 114.84 1jc1 s LEU 201 Ca 0.29 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.96 1jc1 s LEU 201 Cb 0.05 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1jc1 s LEU 201 CO 0.07 0.11 0.59 -0.55 0.23 0.00 0.00 176.35 176.81 1jc1 s SER 202 N 0.70 6.34 -0.07 2.29 0.15 0.15 -0.07 113.70 123.19 1jc1 s SER 202 Ca -0.02 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1jc1 s SER 202 Cb -0.15 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1jc1 s SER 202 CO 0.02 -0.65 -0.19 -0.89 1.20 0.00 0.00 173.24 172.74 1jc1 s THR 203 N 2.64 2.63 -0.02 6.45 2.01 -0.56 -1.09 115.64 127.70 1jc1 s THR 203 Ca 0.21 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1jc1 s THR 203 Cb -0.15 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1jc1 s THR 203 CO 0.16 0.57 -0.08 0.00 -0.69 0.00 0.00 174.62 174.58 1jc1 s SER 205 N 0.10 0.69 -0.07 0.00 0.01 -1.26 -1.19 113.70 111.97 1jc1 s SER 205 Ca -0.01 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.97 1jc1 s SER 205 Cb -0.07 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.16 1jc1 s SER 205 CO 0.00 -0.06 -0.09 0.00 0.41 0.00 0.00 173.24 173.51 1jc1 s ALA 206 N -0.67 1.11 -0.12 1.44 0.00 0.40 -4.50 121.76 119.42 1jc1 s ALA 206 Ca -0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1jc1 s ALA 206 Cb -0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1jc1 s ALA 206 CO 0.00 -0.07 0.07 -0.51 0.00 0.00 0.00 175.76 175.25 1jc1 s LEU 207 N 1.03 3.96 0.34 0.00 1.43 -1.26 -1.26 118.68 122.92 1jc1 s LEU 207 Ca -0.08 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1jc1 s LEU 207 Cb -0.15 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1jc1 s LEU 207 CO -0.00 0.34 0.61 -0.94 0.23 0.00 0.00 176.35 176.59 1jc1 s SER 208 N -0.64 0.30 0.11 2.29 1.04 0.18 -4.93 113.70 112.05 1jc1 s SER 208 Ca 0.12 -1.19 0.08 0.00 0.48 0.00 0.00 55.95 55.43 1jc1 s SER 208 Cb -0.12 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1jc1 s SER 208 CO 0.02 -1.42 -0.12 -0.54 0.98 0.00 0.00 173.24 172.16 1jc1 s LYS 209 N -3.02 2.02 -0.50 4.02 -0.14 -1.26 0.74 119.74 121.59 1jc1 s LYS 209 Ca 0.22 -1.08 -0.15 0.00 -1.36 0.00 0.00 55.97 53.60 1jc1 s LYS 209 Cb -0.03 -2.24 0.11 0.00 -1.68 0.00 0.00 37.83 33.99 1jc1 s LYS 209 CO 0.14 0.50 0.44 0.34 -0.76 0.00 0.00 175.35 176.00 1jc1 s ASP 210 N -2.22 6.10 0.46 2.83 2.15 -1.26 -4.89 116.67 119.84 1jc1 s ASP 210 Ca 0.21 -1.62 0.33 0.00 0.43 0.00 0.00 52.55 51.90 1jc1 s ASP 210 Cb -0.11 -2.17 1.47 0.00 -0.30 0.00 0.00 42.92 41.81 1jc1 s ASP 210 CO 0.13 -0.75 1.63 1.55 -0.17 0.00 0.00 175.17 177.56 1jc1 h PRO 211 N 8.78 0.08 0.00 4.34 0.13 -2.03 4.49 132.00 147.77 1jc1 h PRO 211 Ca -0.28 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1jc1 h PRO 211 Cb 1.10 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1jc1 h PRO 211 CO 0.95 0.05 -0.30 -0.91 -0.23 0.00 0.00 178.00 177.56 1jc1 h ASN 212 N 0.08 0.00 -2.51 1.44 2.35 -2.04 -3.45 115.58 111.45 1jc1 h ASN 212 Ca 0.82 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 56.03 1jc1 h ASN 212 Cb 2.70 0.00 0.02 0.00 0.05 0.00 0.00 38.32 41.09 1jc1 h ASN 212 CO -0.33 0.30 1.14 -0.70 -1.65 0.00 0.00 177.43 176.19 1jc1 s GLU 213 N -3.34 4.16 -0.15 0.81 2.56 1.47 -4.98 118.70 119.24 1jc1 s GLU 213 Ca 0.03 2.45 -0.13 0.00 0.00 0.00 0.00 54.97 57.32 1jc1 s GLU 213 Cb 0.09 -3.94 -0.04 0.00 2.00 0.00 0.00 34.13 32.23 1jc1 s GLU 213 CO 0.68 -0.87 -0.26 0.36 -0.56 0.00 0.00 175.26 174.61 1jc1 n LYS 214 N 6.84 0.47 -0.65 4.30 2.85 -1.26 -4.83 118.16 125.87 1jc1 n LYS 214 Ca 0.18 0.34 -0.31 0.00 -1.05 0.00 0.00 58.31 57.47 1jc1 n LYS 214 Cb 0.41 -1.49 0.18 0.00 -0.65 0.00 0.00 35.03 33.47 1jc1 n LYS 214 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jc1 n ARG 215 N -4.41 -0.69 -1.65 -1.58 3.00 -1.26 -4.81 116.66 105.25 1jc1 n ARG 215 Ca -0.10 -0.14 -0.49 0.00 -0.01 0.00 0.00 57.85 57.11 1jc1 n ARG 215 Cb 0.39 -2.33 -0.05 0.00 0.00 0.00 0.00 32.46 30.47 1jc1 n ARG 215 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1jc1 n ASP 216 N -4.21 2.71 -3.76 0.55 2.03 -1.26 -4.84 116.55 107.76 1jc1 n ASP 216 Ca 0.11 1.08 -0.08 0.00 0.52 0.00 0.00 54.79 56.41 1jc1 n ASP 216 Cb 0.52 -1.33 -0.02 0.00 -0.72 0.00 0.00 41.12 39.56 1jc1 n ASP 216 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1jc1 s HIS 217 N 1.46 0.03 -0.12 -0.67 -3.43 -1.26 -0.46 115.29 110.84 1jc1 s HIS 217 Ca 0.84 -0.48 -0.07 0.00 -0.80 0.00 0.00 55.06 54.54 1jc1 s HIS 217 Cb -0.78 0.57 0.05 0.00 -1.43 0.00 0.00 32.58 30.98 1jc1 s HIS 217 CO 0.44 -1.21 0.29 1.41 -2.00 0.00 0.00 174.74 173.67 1jc1 s MET 218 N -3.72 0.27 -0.23 -0.38 1.75 0.17 -4.92 119.30 112.24 1jc1 s MET 218 Ca 0.15 0.56 -0.09 0.00 -1.25 0.00 0.00 55.69 55.06 1jc1 s MET 218 Cb -0.04 -0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.54 1jc1 s MET 218 CO 0.08 -0.14 0.11 0.08 -0.65 0.00 0.00 175.02 174.51 1jc1 s VAL 219 N 1.07 4.89 0.02 10.11 1.01 0.23 -1.57 120.40 136.16 1jc1 s VAL 219 Ca -0.08 0.02 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1jc1 s VAL 219 Cb -0.08 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1jc1 s VAL 219 CO -0.08 0.36 -0.20 -0.22 0.00 0.00 0.00 175.10 174.96 1jc1 s LEU 220 N 1.13 2.12 -0.06 3.92 0.20 0.32 -0.65 118.68 125.66 1jc1 s LEU 220 Ca 0.06 -0.45 0.04 0.00 0.69 0.00 0.00 54.13 54.47 1jc1 s LEU 220 Cb -0.14 -0.97 -0.00 0.00 -0.43 0.00 0.00 46.19 44.65 1jc1 s LEU 220 CO 0.04 0.18 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.89 1jc1 s LEU 221 N -0.89 1.91 0.04 -0.68 2.96 -0.39 -0.29 118.68 121.35 1jc1 s LEU 221 Ca 0.07 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1jc1 s LEU 221 Cb -0.08 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 1jc1 s LEU 221 CO 0.01 0.15 0.02 -0.70 -1.32 0.00 0.00 176.35 174.50 1jc1 s GLU 222 N 0.16 0.56 -0.02 1.98 2.12 -0.46 -0.45 118.70 122.59 1jc1 s GLU 222 Ca -0.08 -0.96 -0.01 0.00 0.36 0.00 0.00 54.97 54.29 1jc1 s GLU 222 Cb -0.13 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.48 1jc1 s GLU 222 CO 0.03 -0.12 0.04 -0.06 -0.54 0.00 0.00 175.26 174.62 1jc1 s PHE 223 N -3.09 -0.02 -0.02 5.30 0.08 -0.34 -1.32 117.98 118.58 1jc1 s PHE 223 Ca -0.01 0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.18 1jc1 s PHE 223 Cb 0.02 -0.11 0.02 0.00 -0.57 0.00 0.00 43.02 42.38 1jc1 s PHE 223 CO -0.07 -0.06 0.03 0.08 -0.10 0.00 0.00 175.22 175.10 1jc1 s VAL 224 N 0.61 -0.05 -0.07 -0.44 1.01 -0.19 -0.70 120.40 120.57 1jc1 s VAL 224 Ca -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1jc1 s VAL 224 Cb -0.07 -0.07 0.04 0.00 0.00 0.00 0.00 36.38 36.28 1jc1 s VAL 224 CO -0.02 0.07 0.16 -0.89 0.00 0.00 0.00 175.10 174.42 1jc1 s THR 225 N 0.85 -0.07 0.68 3.92 2.01 -0.25 -2.07 115.64 120.72 1jc1 s THR 225 Ca -0.07 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 1jc1 s THR 225 Cb -0.10 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 1jc1 s THR 225 CO -0.02 0.08 1.05 0.00 -0.69 0.00 0.00 174.62 175.04 1jc1 s ALA 226 N 1.27 2.76 0.00 7.40 0.00 -0.55 0.32 121.76 132.96 1jc1 s ALA 226 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1jc1 s ALA 226 Cb -0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1jc1 s ALA 226 CO -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 175.76 174.57 1jc1 n ALA 227 N -3.06 0.00 -0.09 0.00 0.00 -0.61 -4.58 120.51 112.17 1jc1 n ALA 227 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1jc1 n ALA 227 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1jc1 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91