#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk2 s ARG 4 N 0.00 4.42 0.03 4.33 0.52 -1.26 -4.99 118.95 121.99 2jk2 s ARG 4 Ca 0.00 1.75 -0.30 0.00 -0.52 0.00 0.00 55.73 56.65 2jk2 s ARG 4 Cb 0.00 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 2jk2 s ARG 4 CO 0.00 -0.30 1.35 0.21 0.02 0.00 0.00 175.30 176.59 2jk2 s LYS 5 N 1.33 4.32 0.27 3.54 2.20 -1.26 -4.96 119.74 125.17 2jk2 s LYS 5 Ca 0.58 1.93 -0.31 0.00 -0.36 0.00 0.00 55.97 57.82 2jk2 s LYS 5 Cb -0.28 -3.48 -0.13 0.00 -1.51 0.00 0.00 37.83 32.44 2jk2 s LYS 5 CO 0.28 -0.49 1.49 0.34 -0.36 0.00 0.00 175.35 176.61 2jk2 n PHE 6 N 4.88 2.49 -4.09 4.03 7.35 -1.23 -4.83 117.46 126.07 2jk2 n PHE 6 Ca 0.12 0.35 -0.28 0.00 -0.76 0.00 0.00 57.45 56.89 2jk2 n PHE 6 Cb 0.44 -2.52 -0.17 0.00 0.35 0.00 0.00 39.48 37.58 2jk2 n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2jk2 s PHE 7 N -0.06 1.71 -0.22 -5.13 5.36 -0.60 -0.91 117.98 118.13 2jk2 s PHE 7 Ca 0.66 -0.86 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 2jk2 s PHE 7 Cb -0.57 -1.33 0.05 0.00 -0.34 0.00 0.00 43.02 40.83 2jk2 s PHE 7 CO 0.49 -0.52 -0.10 0.08 -1.46 0.00 0.00 175.22 173.71 2jk2 s VAL 8 N 1.43 1.79 -0.11 3.12 1.01 0.46 -1.18 120.40 126.94 2jk2 s VAL 8 Ca 0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 2jk2 s VAL 8 Cb -0.13 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2jk2 s VAL 8 CO -0.07 0.08 0.03 -0.83 0.00 0.00 0.00 175.10 174.32 2jk2 s GLY 9 N 1.31 1.90 -0.31 4.51 0.00 0.14 -1.21 107.32 113.67 2jk2 s GLY 9 Ca -0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2jk2 s GLY 9 CO -0.07 -0.44 0.04 -0.32 0.00 0.00 0.00 173.10 172.30 2jk2 s GLY 10 N -0.69 1.77 -0.50 0.20 0.00 0.11 -0.13 107.32 108.09 2jk2 s GLY 10 Ca 0.11 -1.69 -0.20 0.00 0.00 0.00 0.00 44.72 42.95 2jk2 s GLY 10 CO 0.02 0.70 0.64 0.21 0.00 0.00 0.00 173.10 174.67 2jk2 s ASN 11 N 1.34 6.24 0.11 1.64 2.47 0.70 -0.00 114.94 127.43 2jk2 s ASN 11 Ca -0.03 -0.78 0.25 0.00 0.42 0.00 0.00 52.86 52.72 2jk2 s ASN 11 Cb -0.19 -2.30 0.95 0.00 -1.45 0.00 0.00 41.25 38.26 2jk2 s ASN 11 CO 0.00 -0.88 1.76 0.79 -3.72 0.00 0.00 177.10 175.05 2jk2 n TRP 12 N 6.24 0.43 -2.93 0.43 8.01 -0.72 -4.49 117.44 124.41 2jk2 n TRP 12 Ca -0.05 0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 2jk2 n TRP 12 Cb 0.46 -0.72 0.00 0.00 -2.01 0.00 0.00 31.31 29.03 2jk2 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2jk2 n LYS 13 N -1.86 0.00 -2.78 -0.99 5.02 -1.26 -3.32 118.16 112.97 2jk2 n LYS 13 Ca 0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 2jk2 n LYS 13 Cb 0.32 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.33 2jk2 n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2jk2 n MET 14 N 6.29 3.98 -3.92 1.97 1.56 -1.26 -3.91 117.12 121.82 2jk2 n MET 14 Ca 0.00 -4.10 -0.10 0.00 -0.27 0.00 0.00 57.70 53.23 2jk2 n MET 14 Cb 0.00 -2.71 -0.11 0.00 2.15 0.00 0.00 33.22 32.54 2jk2 n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 2jk2 s ASN 15 N -0.10 0.12 0.00 6.12 0.01 -1.21 -5.11 114.94 114.77 2jk2 s ASN 15 Ca 0.35 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 2jk2 s ASN 15 Cb 0.05 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.84 2jk2 s ASN 15 CO 0.04 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.98 2jk2 n GLY 16 N 1.84 2.35 3.52 0.66 0.00 -1.26 -4.68 105.19 107.62 2jk2 n GLY 16 Ca -0.21 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 2jk2 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jk2 s ARG 17 N -3.22 1.91 0.25 1.61 1.81 -1.26 -4.94 118.95 115.12 2jk2 s ARG 17 Ca 0.00 -2.16 -0.03 0.00 -1.72 0.00 0.00 55.73 51.82 2jk2 s ARG 17 Cb 0.00 -0.66 0.48 0.00 -0.45 0.00 0.00 34.95 34.33 2jk2 s ARG 17 CO 0.00 -0.45 1.75 0.87 -0.68 0.00 0.00 175.30 176.79 2jk2 h LYS 18 N 1.80 0.53 0.37 3.54 1.57 -1.99 0.97 116.57 123.37 2jk2 h LYS 18 Ca -0.36 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 2jk2 h LYS 18 Cb 1.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2jk2 h LYS 18 CO 0.58 0.35 -0.18 0.37 -0.57 0.00 0.00 179.45 180.01 2jk2 h GLN 19 N 0.55 -0.48 -0.40 3.15 4.15 -1.98 0.56 115.11 120.65 2jk2 h GLN 19 Ca 0.43 0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.76 2jk2 h GLN 19 Cb 0.61 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2jk2 h GLN 19 CO -0.37 -0.19 -0.24 0.66 -1.93 0.00 0.00 178.83 176.77 2jk2 h SER 20 N -0.75 0.84 0.06 -0.69 4.64 -1.91 -1.62 113.55 114.11 2jk2 h SER 20 Ca -0.05 -0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 2jk2 h SER 20 Cb 0.51 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2jk2 h SER 20 CO 0.08 1.04 -0.36 -0.07 -0.87 0.00 0.00 176.83 176.65 2jk2 h LEU 21 N 0.71 0.43 -0.73 5.97 4.07 -0.85 -1.64 115.31 123.27 2jk2 h LEU 21 Ca 0.09 -0.17 0.07 0.00 0.08 0.00 0.00 57.88 57.95 2jk2 h LEU 21 Cb 0.77 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.32 2jk2 h LEU 21 CO 0.06 0.76 0.41 1.23 -1.08 0.00 0.00 178.44 179.82 2jk2 h GLY 22 N 1.11 1.10 0.98 0.83 0.00 -0.37 -0.30 103.07 106.42 2jk2 h GLY 22 Ca 0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 2jk2 h GLY 22 CO 0.06 0.15 -0.01 -2.09 0.00 0.00 0.00 176.54 174.65 2jk2 h GLU 23 N 0.73 0.80 -0.32 4.80 4.81 -0.91 -1.41 114.58 123.08 2jk2 h GLU 23 Ca 0.34 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2jk2 h GLU 23 Cb 0.25 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2jk2 h GLU 23 CO -0.21 0.86 0.17 1.25 -0.73 0.00 0.00 179.01 180.35 2jk2 h LEU 24 N 0.64 0.26 -0.55 1.64 5.85 -0.93 -2.17 115.31 120.04 2jk2 h LEU 24 Ca 0.13 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2jk2 h LEU 24 Cb 0.51 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2jk2 h LEU 24 CO 0.02 0.19 0.27 0.40 -0.34 0.00 0.00 178.44 178.99 2jk2 h ILE 25 N 0.35 1.20 -0.40 4.05 2.04 -0.97 -1.63 117.51 122.15 2jk2 h ILE 25 Ca 0.13 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.47 2jk2 h ILE 25 Cb 0.03 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 2jk2 h ILE 25 CO -0.08 0.23 0.12 1.23 0.00 0.00 0.00 178.15 179.65 2jk2 h GLY 26 N 0.75 0.50 0.95 5.37 0.00 -1.00 0.14 103.07 109.77 2jk2 h GLY 26 Ca 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.47 2jk2 h GLY 26 CO -0.02 0.00 0.38 -0.84 0.00 0.00 0.00 176.54 176.06 2jk2 h THR 27 N 0.27 1.12 -0.41 4.70 2.02 -1.17 -2.12 112.91 117.32 2jk2 h THR 27 Ca 0.19 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 2jk2 h THR 27 Cb 0.19 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2jk2 h THR 27 CO -0.21 0.14 -0.28 -0.07 0.37 0.00 0.00 175.52 175.47 2jk2 h LEU 28 N 0.76 0.90 -1.34 2.58 3.38 -0.61 -2.39 115.31 118.58 2jk2 h LEU 28 Ca 0.22 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jk2 h LEU 28 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2jk2 h LEU 28 CO -0.07 1.11 0.41 0.78 0.09 0.00 0.00 178.44 180.77 2jk2 h ASN 29 N 0.74 0.75 0.75 -0.43 2.35 -0.59 -2.74 115.58 116.40 2jk2 h ASN 29 Ca 0.09 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2jk2 h ASN 29 Cb 0.83 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2jk2 h ASN 29 CO 0.07 0.56 -0.56 0.00 -1.65 0.00 0.00 177.43 175.85 2jk2 h ALA 30 N 1.58 0.94 -2.92 -0.83 0.00 -1.07 -3.45 119.26 113.50 2jk2 h ALA 30 Ca 0.23 -0.51 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 2jk2 h ALA 30 Cb -0.07 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 17.72 2jk2 h ALA 30 CO -0.05 0.70 0.71 0.00 0.00 0.00 0.00 179.25 180.61 2jk2 s ALA 31 N -3.53 3.53 -0.37 0.00 0.00 -0.93 -4.99 121.76 115.47 2jk2 s ALA 31 Ca -0.01 1.43 -0.18 0.00 0.00 0.00 0.00 51.96 53.20 2jk2 s ALA 31 Cb 0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2jk2 s ALA 31 CO 0.74 -0.87 0.52 -1.59 0.00 0.00 0.00 175.76 174.56 2jk2 s LYS 32 N -1.97 3.53 -0.14 0.00 -2.85 -1.26 -5.02 119.74 112.02 2jk2 s LYS 32 Ca 0.51 -0.24 -0.22 0.00 -1.00 0.00 0.00 55.97 55.02 2jk2 s LYS 32 Cb -0.43 -3.84 -0.03 0.00 -2.06 0.00 0.00 37.83 31.47 2jk2 s LYS 32 CO 0.58 -0.71 0.68 0.54 0.10 0.00 0.00 175.35 176.54 2jk2 s VAL 33 N 2.43 5.02 0.35 1.79 0.11 -1.26 -5.02 120.40 123.82 2jk2 s VAL 33 Ca 0.19 1.34 -0.27 0.00 -2.93 0.00 0.00 61.98 60.30 2jk2 s VAL 33 Cb -0.15 -4.00 -0.12 0.00 -1.53 0.00 0.00 36.38 30.57 2jk2 s VAL 33 CO 0.14 0.16 1.18 -2.65 -3.33 0.00 0.00 175.10 170.61 2jk2 n PRO 34 N 4.51 1.81 0.00 1.54 -0.02 -1.26 -4.82 135.00 136.75 2jk2 n PRO 34 Ca -0.01 0.64 0.05 0.00 -2.02 0.00 0.00 63.50 62.16 2jk2 n PRO 34 Cb 0.50 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 32.06 2jk2 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jk2 n ALA 35 N 0.10 1.74 0.51 3.55 0.00 -1.26 -1.86 120.51 123.30 2jk2 n ALA 35 Ca 0.07 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2jk2 n ALA 35 Cb 0.36 -1.15 0.11 0.00 0.00 0.00 0.00 19.45 18.77 2jk2 n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jk2 n ASP 36 N -1.12 2.73 -4.26 0.00 5.68 -1.26 -5.00 116.55 113.31 2jk2 n ASP 36 Ca 0.06 -1.81 -0.32 0.00 -0.50 0.00 0.00 54.79 52.22 2jk2 n ASP 36 Cb 0.05 -0.09 -0.16 0.00 -1.14 0.00 0.00 41.12 39.78 2jk2 n ASP 36 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2jk2 s THR 37 N -1.38 2.30 -0.35 2.12 -4.23 -0.78 -3.46 115.64 109.86 2jk2 s THR 37 Ca 0.25 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.66 2jk2 s THR 37 Cb 0.16 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 72.09 2jk2 s THR 37 CO 0.23 0.55 0.39 -0.70 -0.54 0.00 0.00 174.62 174.55 2jk2 s GLU 38 N 0.30 3.55 -0.11 3.99 2.12 -0.08 -4.87 118.70 123.60 2jk2 s GLU 38 Ca -0.16 -0.39 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 2jk2 s GLU 38 Cb -0.17 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 2jk2 s GLU 38 CO 0.08 -0.55 -0.06 0.08 -0.54 0.00 0.00 175.26 174.26 2jk2 s VAL 39 N 2.07 3.73 -0.02 3.70 1.01 -1.26 -0.40 120.40 129.23 2jk2 s VAL 39 Ca 0.13 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2jk2 s VAL 39 Cb -0.16 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2jk2 s VAL 39 CO 0.12 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 175.05 2jk2 s VAL 40 N -0.29 0.36 -0.09 2.92 1.01 -0.35 -1.62 120.40 122.36 2jk2 s VAL 40 Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2jk2 s VAL 40 Cb -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2jk2 s VAL 40 CO 0.02 0.14 -0.19 0.00 0.00 0.00 0.00 175.10 175.08 2jk2 s ALA 42 N -0.04 3.39 0.75 0.00 0.00 0.99 -0.61 121.76 126.24 2jk2 s ALA 42 Ca -0.05 -2.97 -0.11 0.00 0.00 0.00 0.00 51.96 48.82 2jk2 s ALA 42 Cb -0.14 -2.53 0.04 0.00 0.00 0.00 0.00 23.12 20.49 2jk2 s ALA 42 CO 0.04 -1.98 1.10 -2.14 0.00 0.00 0.00 175.76 172.79 2jk2 s PRO 43 N 0.40 2.48 0.56 0.00 0.02 -1.24 -1.75 135.00 135.47 2jk2 s PRO 43 Ca 0.13 0.53 -0.20 0.00 0.02 0.00 0.00 61.00 61.49 2jk2 s PRO 43 Cb -0.22 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.27 2jk2 s PRO 43 CO -0.04 -1.32 0.93 -2.30 -0.33 0.00 0.00 177.00 173.95 2jk2 n PRO 44 N -3.21 0.97 -0.08 5.54 -0.02 -1.25 -4.43 135.00 132.52 2jk2 n PRO 44 Ca 0.07 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 2jk2 n PRO 44 Cb 0.57 -2.10 0.53 0.00 -0.02 0.00 0.00 33.50 32.48 2jk2 n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2jk2 h THR 45 N 0.70 0.85 0.00 3.45 2.02 -1.95 0.17 112.91 118.16 2jk2 h THR 45 Ca -0.47 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2jk2 h THR 45 Cb 1.36 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2jk2 h THR 45 CO 0.52 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.47 2jk2 h ALA 46 N 1.70 1.00 -0.16 6.16 0.00 -2.02 -3.16 119.26 122.78 2jk2 h ALA 46 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jk2 h ALA 46 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jk2 h ALA 46 CO -0.07 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.84 2jk2 n TYR 47 N -3.08 0.31 -0.04 0.00 4.01 0.60 -4.67 117.16 114.29 2jk2 n TYR 47 Ca -0.01 -0.65 -0.09 0.00 -0.16 0.00 0.00 57.90 56.99 2jk2 n TYR 47 Cb 0.22 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 2jk2 n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2jk2 h ILE 48 N 0.96 0.93 0.30 -0.72 2.04 -1.49 0.10 117.51 119.64 2jk2 h ILE 48 Ca 0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2jk2 h ILE 48 Cb 0.83 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2jk2 h ILE 48 CO 0.04 0.03 -0.15 -0.78 0.00 0.00 0.00 178.15 177.29 2jk2 h ASP 49 N 0.15 -0.35 -0.31 1.72 3.58 -1.83 -1.29 116.42 118.09 2jk2 h ASP 49 Ca 0.09 -0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.52 2jk2 h ASP 49 Cb 0.07 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.13 2jk2 h ASP 49 CO -0.11 -0.11 -0.29 0.15 -2.88 0.00 0.00 179.24 176.00 2jk2 h PHE 50 N -0.57 -0.80 -0.65 0.28 3.57 -1.83 -1.54 116.94 115.40 2jk2 h PHE 50 Ca -0.04 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2jk2 h PHE 50 Cb 0.42 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2jk2 h PHE 50 CO -0.01 -0.36 0.37 0.00 -2.23 0.00 0.00 178.31 176.08 2jk2 h ALA 51 N 0.74 0.83 -0.54 2.41 0.00 -0.71 -2.39 119.26 119.60 2jk2 h ALA 51 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jk2 h ALA 51 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2jk2 h ALA 51 CO -0.47 0.33 0.26 -0.09 0.00 0.00 0.00 179.25 179.28 2jk2 h ARG 52 N 0.88 0.75 -0.08 0.00 9.65 -0.83 0.92 114.38 125.68 2jk2 h ARG 52 Ca 0.23 -0.09 -0.12 0.00 -1.10 0.00 0.00 59.98 58.91 2jk2 h ARG 52 Cb 0.01 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 2jk2 h ARG 52 CO -0.04 0.58 -0.47 1.96 2.80 0.00 0.00 179.97 184.80 2jk2 h GLN 53 N 0.76 0.19 0.00 0.20 4.20 -0.86 -3.32 115.11 116.28 2jk2 h GLN 53 Ca 0.19 -0.10 -0.34 0.00 0.06 0.00 0.00 58.65 58.46 2jk2 h GLN 53 Cb 0.07 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2jk2 h GLN 53 CO -0.03 0.63 -2.09 1.63 -0.67 0.00 0.00 178.83 178.31 2jk2 n LYS 54 N -3.98 0.67 -2.35 1.46 4.76 -0.93 -4.93 118.16 112.87 2jk2 n LYS 54 Ca -0.02 0.14 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 2jk2 n LYS 54 Cb 0.52 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 2jk2 n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jk2 s LEU 55 N -5.84 4.49 0.25 -0.35 2.01 0.27 -4.93 118.68 114.58 2jk2 s LEU 55 Ca -0.09 2.36 -0.31 0.00 0.01 0.00 0.00 54.13 56.10 2jk2 s LEU 55 Cb 0.07 -3.62 -0.13 0.00 0.01 0.00 0.00 46.19 42.51 2jk2 s LEU 55 CO 0.82 -0.32 1.40 -0.67 1.01 0.00 0.00 176.35 178.59 2jk2 n ASP 56 N 1.59 2.80 0.31 2.29 2.03 -1.26 -4.86 116.55 119.45 2jk2 n ASP 56 Ca 0.01 1.15 0.11 0.00 0.52 0.00 0.00 54.79 56.58 2jk2 n ASP 56 Cb 0.44 -1.44 0.61 0.00 -0.72 0.00 0.00 41.12 40.01 2jk2 n ASP 56 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jk2 h PRO 57 N 4.06 0.00 0.00 -0.67 0.13 -1.94 -0.78 132.00 132.80 2jk2 h PRO 57 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2jk2 h PRO 57 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jk2 h PRO 57 CO 0.74 0.00 -0.09 1.57 -0.23 0.00 0.00 178.00 179.99 2jk2 h LYS 58 N 0.00 0.00 -5.31 0.86 2.10 -1.99 -3.41 116.57 108.82 2jk2 h LYS 58 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 2jk2 h LYS 58 Cb 0.89 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.07 2jk2 h LYS 58 CO 0.00 0.09 -0.54 0.42 -2.00 0.00 0.00 179.45 177.42 2jk2 s ILE 59 N -4.64 4.95 0.44 0.07 1.01 -0.30 -4.69 121.20 118.03 2jk2 s ILE 59 Ca -0.04 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 2jk2 s ILE 59 Cb 0.15 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2jk2 s ILE 59 CO 0.64 0.47 0.77 0.00 0.00 0.00 0.00 174.94 176.82 2jk2 s ALA 60 N 0.28 3.38 -0.07 9.38 0.00 -0.64 -4.81 121.76 129.27 2jk2 s ALA 60 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2jk2 s ALA 60 Cb -0.12 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 2jk2 s ALA 60 CO -0.00 -0.16 -0.08 0.08 0.00 0.00 0.00 175.76 175.59 2jk2 s VAL 61 N -2.54 3.58 0.05 0.00 1.01 -1.26 -0.81 120.40 120.43 2jk2 s VAL 61 Ca 0.49 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.05 2jk2 s VAL 61 Cb -0.10 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2jk2 s VAL 61 CO 0.38 0.59 -0.26 0.00 0.00 0.00 0.00 175.10 175.80 2jk2 s ALA 62 N -0.66 2.23 0.48 5.51 0.00 0.22 -1.33 121.76 128.22 2jk2 s ALA 62 Ca 0.10 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 2jk2 s ALA 62 Cb -0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 2jk2 s ALA 62 CO 0.02 0.53 0.98 0.00 0.00 0.00 0.00 175.76 177.28 2jk2 s ALA 63 N -0.81 3.04 -0.98 0.00 0.00 -0.32 -3.65 121.76 119.04 2jk2 s ALA 63 Ca 0.12 0.28 0.27 0.00 0.00 0.00 0.00 51.96 52.62 2jk2 s ALA 63 Cb -0.10 -3.14 0.90 0.00 0.00 0.00 0.00 23.12 20.78 2jk2 s ALA 63 CO 0.02 -0.11 1.70 1.04 0.00 0.00 0.00 175.76 178.40 2jk2 n GLN 64 N -1.23 0.02 -3.61 0.00 6.02 -1.26 -0.45 117.38 116.87 2jk2 n GLN 64 Ca 0.07 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.04 2jk2 n GLN 64 Cb 0.54 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 2jk2 n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jk2 s ASN 65 N -3.08 -0.11 0.29 1.08 2.47 -1.22 -4.53 114.94 109.85 2jk2 s ASN 65 Ca 0.12 -0.05 -0.19 0.00 0.42 0.00 0.00 52.86 53.16 2jk2 s ASN 65 Cb 0.18 0.16 0.02 0.00 -1.45 0.00 0.00 41.25 40.16 2jk2 s ASN 65 CO 0.61 -0.27 0.69 0.00 -3.72 0.00 0.00 177.10 174.40 2jk2 n TYR 67 N -0.46 -2.41 0.12 0.00 9.36 0.26 -4.95 117.16 119.08 2jk2 n TYR 67 Ca -0.04 -1.60 0.08 0.00 3.32 0.00 0.00 57.90 59.65 2jk2 n TYR 67 Cb 0.60 -0.41 0.16 0.00 -0.63 0.00 0.00 39.34 39.05 2jk2 n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2jk2 n LYS 68 N -1.94 2.19 -4.23 2.98 2.85 -1.26 -4.52 118.16 114.23 2jk2 n LYS 68 Ca 0.12 -1.97 -0.13 0.00 -1.05 0.00 0.00 58.31 55.28 2jk2 n LYS 68 Cb 0.45 -1.36 -0.10 0.00 -0.65 0.00 0.00 35.03 33.37 2jk2 n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2jk2 s VAL 69 N -1.14 0.79 0.17 0.58 -7.23 -1.26 -4.75 120.40 107.56 2jk2 s VAL 69 Ca 0.28 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2jk2 s VAL 69 Cb 0.16 -2.00 -0.14 0.00 0.56 0.00 0.00 36.38 34.96 2jk2 s VAL 69 CO 0.22 -0.59 1.40 0.00 -0.31 0.00 0.00 175.10 175.82 2jk2 h THR 70 N 2.75 1.48 -3.31 5.32 1.03 -1.99 -3.43 112.91 114.75 2jk2 h THR 70 Ca -0.36 -2.53 -0.04 0.00 -0.01 0.00 0.00 66.41 63.47 2jk2 h THR 70 Cb 1.20 2.40 -0.12 0.00 -1.07 0.00 0.00 68.15 70.56 2jk2 h THR 70 CO 0.63 0.74 0.00 0.20 -0.01 0.00 0.00 175.52 177.08 2jk2 s ASN 71 N -6.93 -0.29 0.00 0.00 0.01 -1.26 -4.69 114.94 101.78 2jk2 s ASN 71 Ca -0.03 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2jk2 s ASN 71 Cb 0.10 0.53 0.00 0.00 0.41 0.00 0.00 41.25 42.29 2jk2 s ASN 71 CO 0.82 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 2jk2 n GLY 72 N -0.29 -2.09 2.68 0.66 0.00 -1.26 -5.00 105.19 99.89 2jk2 n GLY 72 Ca -0.14 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2jk2 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk2 n ALA 73 N -0.15 5.83 -3.33 4.61 0.00 -1.26 -4.70 120.51 121.51 2jk2 n ALA 73 Ca 0.00 -3.88 -0.26 0.00 0.00 0.00 0.00 53.44 49.31 2jk2 n ALA 73 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 19.45 15.92 2jk2 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jk2 n PHE 74 N 5.47 0.62 -1.66 0.00 3.72 -1.26 -5.09 117.46 119.26 2jk2 n PHE 74 Ca 0.55 -3.69 -0.48 0.00 -0.05 0.00 0.00 57.45 53.77 2jk2 n PHE 74 Cb 0.36 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 2jk2 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2jk2 n THR 75 N 1.62 0.12 -0.26 4.37 -1.04 -1.26 -1.62 114.28 116.20 2jk2 n THR 75 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2jk2 n THR 75 Cb 0.48 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 2jk2 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jk2 n GLY 76 N 3.44 0.82 3.87 3.41 0.00 -1.26 -5.07 105.19 110.40 2jk2 n GLY 76 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2jk2 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jk2 s GLU 77 N -0.62 2.67 0.07 1.61 0.41 -0.64 -5.14 118.70 117.06 2jk2 s GLU 77 Ca 0.00 -1.37 0.03 0.00 -0.41 0.00 0.00 54.97 53.22 2jk2 s GLU 77 Cb 0.00 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 29.86 2jk2 s GLU 77 CO 0.00 -0.01 -0.08 0.96 -0.49 0.00 0.00 175.26 175.64 2jk2 s ILE 78 N -2.36 0.69 0.25 -1.63 -4.36 -1.26 -5.02 121.20 107.51 2jk2 s ILE 78 Ca 0.44 -1.38 0.07 0.00 -0.26 0.00 0.00 60.65 59.51 2jk2 s ILE 78 Cb -0.05 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 2jk2 s ILE 78 CO 0.27 -0.51 0.19 -0.94 0.24 0.00 0.00 174.94 174.20 2jk2 s SER 79 N -2.07 5.52 0.38 4.36 1.04 -1.26 -0.57 113.70 121.10 2jk2 s SER 79 Ca -0.02 -0.25 0.17 0.00 0.48 0.00 0.00 55.95 56.33 2jk2 s SER 79 Cb -0.05 -1.40 1.06 0.00 0.10 0.00 0.00 66.02 65.73 2jk2 s SER 79 CO -0.01 -0.04 1.76 -0.65 0.98 0.00 0.00 173.24 175.29 2jk2 h PRO 80 N 1.51 0.42 -0.96 4.02 0.11 -1.84 -0.82 132.00 134.44 2jk2 h PRO 80 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2jk2 h PRO 80 Cb 1.24 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2jk2 h PRO 80 CO 0.61 0.28 0.63 0.78 -0.21 0.00 0.00 178.00 180.08 2jk2 h GLY 81 N 0.43 1.36 1.21 -0.55 0.00 -1.93 -0.50 103.07 103.10 2jk2 h GLY 81 Ca 0.60 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 2jk2 h GLY 81 CO -0.32 0.51 -0.29 -0.33 0.00 0.00 0.00 176.54 176.11 2jk2 h MET 82 N 1.31 0.88 -0.18 4.80 2.86 -1.50 -1.61 114.93 121.49 2jk2 h MET 82 Ca 0.35 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2jk2 h MET 82 Cb -0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2jk2 h MET 82 CO -0.07 1.05 0.07 0.82 1.06 0.00 0.00 176.91 179.83 2jk2 h ILE 83 N 0.75 1.17 -0.74 -1.22 2.04 -0.90 -1.57 117.51 117.04 2jk2 h ILE 83 Ca 0.09 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2jk2 h ILE 83 Cb 0.85 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 2jk2 h ILE 83 CO 0.07 0.17 0.47 0.11 0.00 0.00 0.00 178.15 178.97 2jk2 h LYS 84 N 0.13 0.89 0.00 2.37 1.57 -1.11 -2.20 116.57 118.23 2jk2 h LYS 84 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jk2 h LYS 84 Cb 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jk2 h LYS 84 CO -0.00 0.59 -0.08 0.22 -0.57 0.00 0.00 179.45 179.60 2jk2 h ASP 85 N 0.92 0.00 -0.03 0.86 3.58 -0.89 -0.38 116.42 120.47 2jk2 h ASP 85 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2jk2 h ASP 85 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jk2 h ASP 85 CO -0.10 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.34 2jk2 n GLY 87 N 1.04 0.75 3.82 0.00 0.00 -0.15 -4.61 105.19 106.04 2jk2 n GLY 87 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2jk2 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk2 s ALA 88 N -2.68 3.10 0.00 4.61 0.00 -0.87 -4.75 121.76 121.17 2jk2 s ALA 88 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2jk2 s ALA 88 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2jk2 s ALA 88 CO 0.00 0.17 0.46 0.25 0.00 0.00 0.00 175.76 176.63 2jk2 n THR 89 N -0.50 0.02 -4.13 0.00 -2.24 -0.44 -3.97 114.28 103.01 2jk2 n THR 89 Ca 0.06 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 2jk2 n THR 89 Cb 0.54 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 2jk2 n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jk2 s TRP 90 N -0.02 0.75 -0.01 4.78 0.52 -1.14 -0.91 118.94 122.92 2jk2 s TRP 90 Ca 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 56.10 55.27 2jk2 s TRP 90 Cb 0.00 -0.46 0.01 0.00 -1.15 0.00 0.00 33.47 31.87 2jk2 s TRP 90 CO 0.00 -0.19 -0.03 0.54 0.02 0.00 0.00 176.95 177.29 2jk2 s VAL 91 N -3.22 0.29 -0.10 4.03 0.11 -0.22 -1.18 120.40 120.12 2jk2 s VAL 91 Ca 0.06 -0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.75 2jk2 s VAL 91 Cb 0.03 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 2jk2 s VAL 91 CO -0.05 0.11 0.85 -0.69 -3.33 0.00 0.00 175.10 171.99 2jk2 s VAL 92 N 0.26 4.91 0.01 2.04 1.01 0.40 -1.03 120.40 128.01 2jk2 s VAL 92 Ca -0.03 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.71 2jk2 s VAL 92 Cb -0.06 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2jk2 s VAL 92 CO -0.00 0.11 -0.13 -0.76 0.00 0.00 0.00 175.10 174.32 2jk2 s LEU 93 N 1.54 2.08 -0.37 3.92 1.43 0.03 -3.38 118.68 123.94 2jk2 s LEU 93 Ca 0.42 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2jk2 s LEU 93 Cb -0.18 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.41 2jk2 s LEU 93 CO 0.18 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2jk2 n GLY 94 N 2.44 0.65 3.65 -3.19 0.00 -1.26 -0.93 105.19 106.54 2jk2 n GLY 94 Ca -0.16 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2jk2 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jk2 n HIS 95 N -2.88 1.67 -0.32 1.61 -0.00 -1.26 -4.45 115.22 109.58 2jk2 n HIS 95 Ca -0.03 0.55 0.21 0.00 0.46 0.00 0.00 57.72 58.91 2jk2 n HIS 95 Cb 0.12 -2.31 0.48 0.00 -0.12 0.00 0.00 29.99 28.17 2jk2 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2jk2 h SER 96 N 1.90 0.49 -0.07 0.26 4.64 -1.94 0.16 113.55 118.98 2jk2 h SER 96 Ca -0.45 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 2jk2 h SER 96 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2jk2 h SER 96 CO 0.59 0.12 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.96 2jk2 h GLU 97 N 0.44 0.59 -0.49 4.77 5.08 -1.97 0.11 114.58 123.11 2jk2 h GLU 97 Ca 0.58 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2jk2 h GLU 97 Cb 1.39 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2jk2 h GLU 97 CO -0.30 0.87 0.11 0.00 -1.00 0.00 0.00 179.01 178.69 2jk2 h ARG 98 N 0.49 0.80 -0.23 2.33 2.47 -1.08 -0.89 114.38 118.27 2jk2 h ARG 98 Ca 0.05 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 2jk2 h ARG 98 Cb 0.88 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 2jk2 h ARG 98 CO 0.08 0.78 -0.14 0.00 0.56 0.00 0.00 179.97 181.24 2jk2 h ARG 99 N 0.68 0.50 0.00 0.04 3.08 -1.05 -1.03 114.38 116.61 2jk2 h ARG 99 Ca 0.15 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2jk2 h ARG 99 Cb 0.35 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2jk2 h ARG 99 CO 0.00 0.79 -1.73 0.72 -1.07 0.00 0.00 179.97 178.68 2jk2 n HIS 100 N -4.48 0.00 -0.04 3.04 8.25 0.37 -2.50 115.22 119.86 2jk2 n HIS 100 Ca -0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 2jk2 n HIS 100 Cb 0.36 -0.41 -0.13 0.00 1.12 0.00 0.00 29.99 30.93 2jk2 n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jk2 n VAL 101 N -2.12 1.68 0.34 1.59 0.31 -0.36 -4.59 118.33 115.18 2jk2 n VAL 101 Ca -0.07 -0.62 0.08 0.00 -0.01 0.00 0.00 64.34 63.72 2jk2 n VAL 101 Cb 0.51 -1.63 0.12 0.00 -0.91 0.00 0.00 33.84 31.92 2jk2 n VAL 101 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2jk2 n PHE 102 N -3.42 0.24 -2.64 3.52 3.72 -1.05 -4.99 117.46 112.84 2jk2 n PHE 102 Ca -0.37 -0.18 -0.19 0.00 -0.05 0.00 0.00 57.45 56.66 2jk2 n PHE 102 Cb 1.03 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.57 2jk2 n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jk2 n GLY 103 N 0.92 -0.39 3.69 1.37 0.00 -0.82 -4.93 105.19 105.04 2jk2 n GLY 103 Ca 0.12 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2jk2 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jk2 s GLU 104 N -5.24 4.27 0.57 1.61 2.02 -0.45 -4.98 118.70 116.51 2jk2 s GLU 104 Ca 0.13 2.07 -0.14 0.00 0.02 0.00 0.00 54.97 57.06 2jk2 s GLU 104 Cb -0.06 -3.52 -0.06 0.00 0.10 0.00 0.00 34.13 30.59 2jk2 s GLU 104 CO 0.16 -0.59 1.01 -1.54 0.02 0.00 0.00 175.26 174.33 2jk2 s SER 105 N 1.86 6.40 0.27 -0.19 1.04 -1.26 -4.48 113.70 117.33 2jk2 s SER 105 Ca 0.66 1.49 -0.02 0.00 0.48 0.00 0.00 55.95 58.57 2jk2 s SER 105 Cb -0.34 -2.49 0.44 0.00 0.10 0.00 0.00 66.02 63.73 2jk2 s SER 105 CO 0.28 -0.75 1.86 0.44 0.98 0.00 0.00 173.24 176.05 2jk2 h ASP 106 N 0.24 0.97 -0.21 7.02 3.32 -1.99 -1.22 116.42 124.54 2jk2 h ASP 106 Ca -0.45 0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.65 2jk2 h ASP 106 Cb 1.19 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2jk2 h ASP 106 CO 0.62 0.58 0.04 -0.08 -1.72 0.00 0.00 179.24 178.68 2jk2 h GLU 107 N 1.08 0.12 -0.35 3.56 4.81 -1.99 -0.86 114.58 120.94 2jk2 h GLU 107 Ca 0.45 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.68 2jk2 h GLU 107 Cb 0.28 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2jk2 h GLU 107 CO -0.21 0.08 0.21 1.25 -0.73 0.00 0.00 179.01 179.61 2jk2 h LEU 108 N 0.12 0.34 -0.49 1.64 6.46 -1.80 -1.89 115.31 119.69 2jk2 h LEU 108 Ca 0.10 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 2jk2 h LEU 108 Cb 0.10 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2jk2 h LEU 108 CO -0.13 0.25 0.26 0.40 -0.62 0.00 0.00 178.44 178.59 2jk2 h ILE 109 N 0.43 0.98 -0.51 4.05 2.04 -0.94 -0.73 117.51 122.83 2jk2 h ILE 109 Ca 0.14 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2jk2 h ILE 109 Cb -0.00 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 2jk2 h ILE 109 CO -0.06 0.09 0.18 1.23 0.00 0.00 0.00 178.15 179.59 2jk2 h GLY 110 N 0.51 0.68 1.14 5.37 0.00 -0.84 0.05 103.07 110.00 2jk2 h GLY 110 Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 2jk2 h GLY 110 CO -0.13 0.00 0.30 1.46 0.00 0.00 0.00 176.54 178.17 2jk2 h GLN 111 N 0.35 1.09 -0.33 4.80 4.20 -0.76 -0.14 115.11 124.32 2jk2 h GLN 111 Ca 0.25 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 2jk2 h GLN 111 Cb 0.27 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2jk2 h GLN 111 CO -0.26 0.88 -0.09 0.87 -0.67 0.00 0.00 178.83 179.57 2jk2 h LYS 112 N 1.07 0.64 -0.06 1.46 1.57 -0.70 -1.39 116.57 119.16 2jk2 h LYS 112 Ca 0.25 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2jk2 h LYS 112 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2jk2 h LYS 112 CO -0.02 0.82 -0.10 0.28 -0.57 0.00 0.00 179.45 179.86 2jk2 h VAL 113 N 0.42 0.72 -0.52 0.50 2.07 -0.69 0.17 116.25 118.93 2jk2 h VAL 113 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2jk2 h VAL 113 Cb 0.59 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2jk2 h VAL 113 CO 0.03 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.79 2jk2 h ALA 114 N 0.89 0.63 -0.19 1.67 0.00 -0.92 -1.96 119.26 119.38 2jk2 h ALA 114 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jk2 h ALA 114 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jk2 h ALA 114 CO -0.15 -0.24 -0.09 1.25 0.00 0.00 0.00 179.25 180.02 2jk2 h HIS 115 N 0.33 0.45 -0.36 0.00 6.17 -0.92 -1.51 115.15 119.32 2jk2 h HIS 115 Ca 0.26 -0.11 0.04 0.00 0.71 0.00 0.00 60.37 61.27 2jk2 h HIS 115 Cb 0.31 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.09 2jk2 h HIS 115 CO -0.18 0.69 0.11 0.00 0.71 0.00 0.00 177.93 179.25 2jk2 h ALA 116 N 0.70 0.40 -0.55 5.26 0.00 -0.81 -1.26 119.26 123.01 2jk2 h ALA 116 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jk2 h ALA 116 Cb 0.57 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jk2 h ALA 116 CO 0.03 -0.29 0.10 -0.07 0.00 0.00 0.00 179.25 179.02 2jk2 h LEU 117 N 0.25 0.86 -1.27 0.00 3.38 -1.37 -1.69 115.31 115.48 2jk2 h LEU 117 Ca 0.16 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2jk2 h LEU 117 Cb 0.15 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2jk2 h LEU 117 CO -0.18 0.89 0.55 0.00 0.09 0.00 0.00 178.44 179.79 2jk2 h ALA 118 N 1.00 1.68 -0.00 1.53 0.00 -0.90 -1.74 119.26 120.82 2jk2 h ALA 118 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jk2 h ALA 118 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jk2 h ALA 118 CO 0.01 0.16 -0.01 0.39 0.00 0.00 0.00 179.25 179.79 2jk2 n GLU 119 N -4.51 0.77 -0.82 0.00 -0.58 -0.51 -4.92 120.64 110.07 2jk2 n GLU 119 Ca 0.14 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2jk2 n GLU 119 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2jk2 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jk2 n GLY 120 N 1.15 0.50 3.87 0.62 0.00 -0.65 -4.96 105.19 105.71 2jk2 n GLY 120 Ca 0.19 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2jk2 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jk2 s LEU 121 N 0.00 4.09 0.49 0.99 2.96 -0.67 -5.02 118.68 121.52 2jk2 s LEU 121 Ca 0.00 1.06 -0.15 0.00 -0.22 0.00 0.00 54.13 54.83 2jk2 s LEU 121 Cb 0.00 -3.85 -0.07 0.00 0.50 0.00 0.00 46.19 42.76 2jk2 s LEU 121 CO 0.00 -0.16 0.93 -0.83 -1.32 0.00 0.00 176.35 174.97 2jk2 s GLY 122 N -2.43 2.01 -0.09 7.98 0.00 -0.08 -4.25 107.32 110.45 2jk2 s GLY 122 Ca 0.50 0.07 0.02 0.00 0.00 0.00 0.00 44.72 45.30 2jk2 s GLY 122 CO 0.21 0.32 -0.13 0.14 0.00 0.00 0.00 173.10 173.64 2jk2 s VAL 123 N -2.58 1.30 -0.50 1.40 1.01 -0.23 -1.06 120.40 119.74 2jk2 s VAL 123 Ca 0.57 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 2jk2 s VAL 123 Cb -0.10 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.15 2jk2 s VAL 123 CO 0.32 0.40 0.50 -0.63 0.00 0.00 0.00 175.10 175.69 2jk2 s ILE 124 N 0.98 5.09 -0.27 2.22 1.01 -0.20 -1.24 121.20 128.79 2jk2 s ILE 124 Ca -0.08 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 2jk2 s ILE 124 Cb -0.15 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 2jk2 s ILE 124 CO -0.01 -0.72 0.17 0.00 0.00 0.00 0.00 174.94 174.39 2jk2 s ALA 125 N 2.03 3.51 -0.12 9.38 0.00 -0.09 -0.79 121.76 135.69 2jk2 s ALA 125 Ca 0.08 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 2jk2 s ALA 125 Cb -0.23 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2jk2 s ALA 125 CO 0.08 -0.45 0.17 0.00 0.00 0.00 0.00 175.76 175.55 2jk2 s ILE 127 N -0.89 0.62 0.00 0.00 -5.25 -0.05 -4.61 121.20 111.02 2jk2 s ILE 127 Ca 0.15 -1.95 0.00 0.00 -0.99 0.00 0.00 60.65 57.86 2jk2 s ILE 127 Cb -0.12 -1.89 0.00 0.00 2.95 0.00 0.00 42.46 43.40 2jk2 s ILE 127 CO 0.04 -0.68 0.00 0.61 -1.79 0.00 0.00 174.94 173.13 2jk2 n GLY 128 N -0.13 3.39 3.90 6.27 0.00 -1.26 -0.02 105.19 117.35 2jk2 n GLY 128 Ca -0.09 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2jk2 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jk2 s GLU 129 N -2.00 3.40 0.86 1.61 1.03 -1.25 -4.84 118.70 117.52 2jk2 s GLU 129 Ca 0.00 -0.41 -0.13 0.00 0.03 0.00 0.00 54.97 54.46 2jk2 s GLU 129 Cb 0.00 -3.04 0.13 0.00 -0.80 0.00 0.00 34.13 30.42 2jk2 s GLU 129 CO 0.00 0.63 1.22 0.15 -1.33 0.00 0.00 175.26 175.93 2jk2 s LYS 130 N -2.28 1.44 0.13 -4.83 1.02 -1.26 -1.80 119.74 112.15 2jk2 s LYS 130 Ca 0.32 -0.16 -0.19 0.00 0.02 0.00 0.00 55.97 55.95 2jk2 s LYS 130 Cb -0.13 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 2jk2 s LYS 130 CO 0.24 -1.89 1.77 1.25 -0.92 0.00 0.00 175.35 175.79 2jk2 h LEU 131 N -1.24 0.17 -1.85 3.17 5.85 -1.81 -1.37 115.31 118.24 2jk2 h LEU 131 Ca -0.45 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.38 2jk2 h LEU 131 Cb 1.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2jk2 h LEU 131 CO 0.54 0.13 0.33 -2.24 -0.34 0.00 0.00 178.44 176.86 2jk2 h ASP 132 N 0.24 0.15 0.25 1.25 2.03 -1.96 0.27 116.42 118.65 2jk2 h ASP 132 Ca 0.09 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.07 2jk2 h ASP 132 Cb 0.01 -0.03 0.03 0.00 -0.83 0.00 0.00 39.33 38.52 2jk2 h ASP 132 CO -0.05 0.09 -1.37 -0.33 -1.03 0.00 0.00 179.24 176.54 2jk2 h GLU 133 N 0.17 0.55 -0.20 4.15 5.08 -1.85 -2.97 114.58 119.51 2jk2 h GLU 133 Ca 0.22 -0.85 -0.02 0.00 -1.00 0.00 0.00 59.36 57.71 2jk2 h GLU 133 Cb 0.66 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2jk2 h GLU 133 CO -0.03 1.40 0.07 -0.09 -1.00 0.00 0.00 179.01 179.35 2jk2 h ARG 134 N 0.19 0.31 0.00 2.33 9.65 -0.28 -1.18 114.38 125.40 2jk2 h ARG 134 Ca -0.22 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.56 2jk2 h ARG 134 Cb 2.06 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 30.59 2jk2 h ARG 134 CO 0.26 0.41 -0.14 0.93 2.80 0.00 0.00 179.97 184.23 2jk2 h GLU 135 N 0.16 0.00 -0.00 0.20 4.39 -1.10 -0.93 114.58 117.30 2jk2 h GLU 135 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2jk2 h GLU 135 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2jk2 h GLU 135 CO -0.00 0.14 -0.07 0.00 -1.16 0.00 0.00 179.01 177.92 2jk2 n ALA 136 N -2.30 2.71 -3.02 3.43 0.00 -1.12 -4.93 120.51 115.27 2jk2 n ALA 136 Ca -0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 2jk2 n ALA 136 Cb 0.25 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.39 2jk2 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk2 n GLY 137 N 1.22 -0.14 0.55 0.00 0.00 -0.35 -4.93 105.19 101.54 2jk2 n GLY 137 Ca 0.17 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2jk2 n GLY 137 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jk2 n ILE 138 N -4.21 1.86 -0.02 -0.61 2.08 -0.47 -4.77 119.36 113.23 2jk2 n ILE 138 Ca -0.04 -1.77 -0.13 0.00 0.56 0.00 0.00 62.75 61.37 2jk2 n ILE 138 Cb 0.57 -0.06 -0.07 0.00 -0.75 0.00 0.00 39.64 39.32 2jk2 n ILE 138 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2jk2 h THR 139 N 1.19 0.08 -0.49 1.39 2.02 -1.87 -1.34 112.91 113.89 2jk2 h THR 139 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jk2 h THR 139 Cb 1.13 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2jk2 h THR 139 CO 0.11 0.00 0.32 -0.33 0.37 0.00 0.00 175.52 175.99 2jk2 h GLU 140 N -0.51 0.66 -0.19 6.66 5.08 -1.96 -1.74 114.58 122.58 2jk2 h GLU 140 Ca 0.07 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2jk2 h GLU 140 Cb 0.65 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2jk2 h GLU 140 CO -0.44 0.45 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.78 2jk2 h LYS 141 N 0.67 0.02 0.67 2.33 3.64 -1.83 -0.28 116.57 121.78 2jk2 h LYS 141 Ca 0.18 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2jk2 h LYS 141 Cb -0.05 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2jk2 h LYS 141 CO -0.04 0.02 -0.32 0.28 -2.27 0.00 0.00 179.45 177.12 2jk2 h VAL 142 N 0.03 0.31 -0.37 2.00 2.07 -1.02 -1.83 116.25 117.44 2jk2 h VAL 142 Ca 0.09 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2jk2 h VAL 142 Cb 0.12 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2jk2 h VAL 142 CO -0.17 0.01 0.08 -0.37 0.02 0.00 0.00 177.57 177.14 2jk2 h VAL 143 N -0.97 1.17 -0.44 2.57 -1.51 -1.29 -1.36 116.25 114.42 2jk2 h VAL 143 Ca -0.09 -0.62 -0.07 0.00 -1.23 0.00 0.00 66.70 64.70 2jk2 h VAL 143 Cb 0.71 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 2jk2 h VAL 143 CO 0.15 0.22 0.02 -0.26 -1.23 0.00 0.00 177.57 176.47 2jk2 h PHE 144 N 0.53 0.83 -0.54 5.19 0.04 -1.02 0.29 116.94 122.26 2jk2 h PHE 144 Ca 0.12 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2jk2 h PHE 144 Cb 0.21 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2jk2 h PHE 144 CO 0.01 0.81 0.34 0.93 -0.60 0.00 0.00 178.31 179.79 2jk2 h GLU 145 N 0.61 0.66 -0.40 1.51 5.08 -0.87 0.36 114.58 121.52 2jk2 h GLU 145 Ca 0.13 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2jk2 h GLU 145 Cb 0.47 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jk2 h GLU 145 CO 0.02 0.43 -0.07 1.96 -1.00 0.00 0.00 179.01 180.35 2jk2 h GLN 146 N 0.68 0.75 -0.34 2.33 4.20 -1.13 -2.95 115.11 118.65 2jk2 h GLN 146 Ca 0.21 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 2jk2 h GLN 146 Cb -0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2jk2 h GLN 146 CO -0.08 0.88 -0.18 1.15 -0.67 0.00 0.00 178.83 179.93 2jk2 h THR 147 N 0.57 1.26 -0.37 -0.54 2.02 -0.80 -2.78 112.91 112.27 2jk2 h THR 147 Ca 0.10 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.10 2jk2 h THR 147 Cb 0.58 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2jk2 h THR 147 CO 0.03 0.40 0.19 0.50 0.37 0.00 0.00 175.52 177.01 2jk2 h LYS 148 N 0.56 0.38 -0.75 6.66 3.64 -0.82 0.44 116.57 126.68 2jk2 h LYS 148 Ca 0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2jk2 h LYS 148 Cb 0.63 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2jk2 h LYS 148 CO 0.04 0.25 0.33 0.28 -2.27 0.00 0.00 179.45 178.08 2jk2 h VAL 149 N 0.39 1.25 0.31 2.00 2.07 -1.41 -0.30 116.25 120.56 2jk2 h VAL 149 Ca 0.15 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2jk2 h VAL 149 Cb 0.05 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2jk2 h VAL 149 CO -0.10 0.31 -0.15 0.40 0.02 0.00 0.00 177.57 178.05 2jk2 h ILE 150 N 1.07 0.70 -0.99 4.57 2.04 -1.20 -3.09 117.51 120.60 2jk2 h ILE 150 Ca 0.25 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.14 2jk2 h ILE 150 Cb 0.17 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 2jk2 h ILE 150 CO -0.03 0.01 0.64 0.00 0.00 0.00 0.00 178.15 178.77 2jk2 h ALA 151 N 0.26 1.38 0.00 1.87 0.00 -0.61 -0.64 119.26 121.52 2jk2 h ALA 151 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jk2 h ALA 151 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jk2 h ALA 151 CO 0.07 0.42 0.00 -0.44 0.00 0.00 0.00 179.25 179.30 2jk2 h ASP 152 N 1.15 0.00 -0.28 0.00 3.32 -0.98 -2.32 116.42 117.31 2jk2 h ASP 152 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2jk2 h ASP 152 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2jk2 h ASP 152 CO -0.18 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.93 2jk2 n ASN 153 N -2.52 3.02 -4.47 6.45 3.02 -0.27 -4.96 115.26 115.53 2jk2 n ASN 153 Ca -0.00 -2.24 -0.33 0.00 -0.03 0.00 0.00 54.58 51.97 2jk2 n ASN 153 Cb 0.15 -0.28 -0.13 0.00 -0.61 0.00 0.00 39.78 38.91 2jk2 n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jk2 s VAL 154 N -1.43 3.60 0.00 2.41 1.01 -0.87 -3.72 120.40 121.40 2jk2 s VAL 154 Ca 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2jk2 s VAL 154 Cb 0.16 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2jk2 s VAL 154 CO 0.12 0.52 0.81 2.29 0.00 0.00 0.00 175.10 178.84 2jk2 n LYS 155 N 3.36 1.75 -3.32 2.72 2.85 -1.26 -4.92 118.16 119.34 2jk2 n LYS 155 Ca -0.18 -1.13 -0.09 0.00 -1.05 0.00 0.00 58.31 55.86 2jk2 n LYS 155 Cb 0.53 -0.93 -0.07 0.00 -0.65 0.00 0.00 35.03 33.91 2jk2 n LYS 155 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2jk2 s ASP 156 N -0.65 0.40 0.00 -5.58 -1.08 -1.26 -5.04 116.67 103.46 2jk2 s ASP 156 Ca 0.00 -0.22 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 2jk2 s ASP 156 Cb 0.00 1.09 0.98 0.00 -1.46 0.00 0.00 42.92 43.53 2jk2 s ASP 156 CO 0.00 -0.34 1.74 0.79 0.52 0.00 0.00 175.17 177.87 2jk2 n TRP 157 N 5.35 0.00 0.30 -5.34 7.02 -1.26 -3.18 117.44 120.34 2jk2 n TRP 157 Ca -0.01 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.64 2jk2 n TRP 157 Cb 0.49 -0.50 0.78 0.00 -2.42 0.00 0.00 31.31 29.66 2jk2 n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2jk2 h SER 158 N 0.00 0.00 -0.40 -0.99 4.64 -1.97 -2.34 113.55 112.49 2jk2 h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jk2 h SER 158 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2jk2 h SER 158 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2jk2 n LYS 159 N -2.84 2.43 -4.48 4.77 4.76 -1.19 -4.96 118.16 116.65 2jk2 n LYS 159 Ca -0.00 -2.24 -0.26 0.00 -2.87 0.00 0.00 58.31 52.94 2jk2 n LYS 159 Cb 0.20 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.78 2jk2 n LYS 159 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jk2 s VAL 160 N -1.33 1.81 -0.06 -0.18 0.11 -0.88 -1.07 120.40 118.80 2jk2 s VAL 160 Ca 0.37 -1.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.01 2jk2 s VAL 160 Cb 0.21 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 2jk2 s VAL 160 CO 0.29 0.09 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.30 2jk2 s VAL 161 N -0.99 1.43 -0.05 2.04 1.01 -0.37 -4.57 120.40 118.89 2jk2 s VAL 161 Ca 0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 2jk2 s VAL 161 Cb -0.10 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2jk2 s VAL 161 CO 0.03 0.42 0.43 -0.76 0.00 0.00 0.00 175.10 175.22 2jk2 s LEU 162 N 0.38 4.39 -0.17 3.92 1.43 -0.62 -0.91 118.68 127.09 2jk2 s LEU 162 Ca -0.12 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2jk2 s LEU 162 Cb -0.15 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.48 2jk2 s LEU 162 CO 0.04 0.19 -0.18 0.00 0.23 0.00 0.00 176.35 176.63 2jk2 s ALA 163 N -0.36 2.18 -0.30 4.21 0.00 -0.19 -0.28 121.76 127.03 2jk2 s ALA 163 Ca 0.24 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 2jk2 s ALA 163 Cb -0.16 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2jk2 s ALA 163 CO 0.12 -0.36 0.61 -0.47 0.00 0.00 0.00 175.76 175.65 2jk2 s TYR 164 N 1.35 3.22 -0.38 0.00 5.04 -0.10 -0.87 117.35 125.62 2jk2 s TYR 164 Ca 0.05 0.58 -0.11 0.00 -2.44 0.00 0.00 57.07 55.15 2jk2 s TYR 164 Cb -0.13 -2.94 0.03 0.00 0.35 0.00 0.00 41.96 39.28 2jk2 s TYR 164 CO -0.12 -0.44 0.22 -1.21 -1.34 0.00 0.00 175.55 172.65 2jk2 s GLU 165 N 2.55 2.80 -1.22 4.97 2.02 0.96 0.45 118.70 131.22 2jk2 s GLU 165 Ca 0.24 -1.12 -0.21 0.00 0.02 0.00 0.00 54.97 53.90 2jk2 s GLU 165 Cb -0.15 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 2jk2 s GLU 165 CO 0.11 -0.73 1.88 -1.25 0.02 0.00 0.00 175.26 175.29 2jk2 s PRO 166 N 1.55 2.93 0.49 0.39 0.04 -1.26 -3.83 135.00 135.31 2jk2 s PRO 166 Ca 0.02 -1.42 0.17 0.00 0.04 0.00 0.00 61.00 59.81 2jk2 s PRO 166 Cb -0.20 -5.33 1.19 0.00 0.04 0.00 0.00 34.50 30.20 2jk2 s PRO 166 CO 0.06 -3.48 2.05 0.28 0.04 0.00 0.00 177.00 175.95 2jk2 h VAL 167 N 5.99 0.91 -0.09 -0.36 2.07 -1.83 -1.53 116.25 121.41 2jk2 h VAL 167 Ca 0.29 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.77 2jk2 h VAL 167 Cb 0.92 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2jk2 h VAL 167 CO 1.29 0.03 0.08 4.11 0.02 0.00 0.00 177.57 183.11 2jk2 h TRP 168 N 0.18 0.00 0.03 1.57 5.08 -1.56 -2.74 115.95 118.51 2jk2 h TRP 168 Ca 0.16 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.81 2jk2 h TRP 168 Cb 0.42 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.53 2jk2 h TRP 168 CO -0.00 0.00 -1.84 0.00 -1.28 0.00 0.00 178.44 175.32 2jk2 n ALA 169 N -2.44 1.34 -2.35 0.11 0.00 -0.58 -4.42 120.51 112.16 2jk2 n ALA 169 Ca -0.01 -0.76 -0.43 0.00 0.00 0.00 0.00 53.44 52.24 2jk2 n ALA 169 Cb 0.19 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2jk2 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jk2 s ILE 170 N -2.58 3.98 -1.45 0.00 1.01 -1.04 -4.00 121.20 117.13 2jk2 s ILE 170 Ca -0.10 1.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.51 2jk2 s ILE 170 Cb 0.08 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.49 2jk2 s ILE 170 CO 0.81 -0.56 1.06 0.61 0.00 0.00 0.00 174.94 176.86 2jk2 n GLY 171 N 4.66 -0.51 0.00 6.18 0.00 -1.26 -4.85 105.19 109.41 2jk2 n GLY 171 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2jk2 n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jk2 n THR 172 N -4.80 0.00 0.00 2.61 -2.24 -1.26 -5.06 114.28 103.53 2jk2 n THR 172 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2jk2 n THR 172 Cb 0.55 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2jk2 n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jk2 n GLY 173 N 2.35 3.10 3.93 3.38 0.00 -1.26 -5.13 105.19 111.55 2jk2 n GLY 173 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 2jk2 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jk2 s LYS 174 N 0.00 1.65 0.02 1.61 -0.14 -1.26 -5.12 119.74 116.50 2jk2 s LYS 174 Ca 0.00 -0.24 -0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2jk2 s LYS 174 Cb 0.00 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 2jk2 s LYS 174 CO 0.00 -1.70 -0.02 0.95 -0.76 0.00 0.00 175.35 173.82 2jk2 s THR 175 N -3.53 0.09 -0.15 2.17 -4.23 -1.26 -4.64 115.64 104.09 2jk2 s THR 175 Ca 0.65 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 2jk2 s THR 175 Cb -0.09 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 2jk2 s THR 175 CO 0.48 -0.42 0.12 0.00 -0.54 0.00 0.00 174.62 174.26 2jk2 s ALA 176 N -1.24 3.74 0.26 3.99 0.00 -1.26 -4.99 121.76 122.25 2jk2 s ALA 176 Ca -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2jk2 s ALA 176 Cb -0.08 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 2jk2 s ALA 176 CO -0.01 0.41 0.42 0.95 0.00 0.00 0.00 175.76 177.52 2jk2 s THR 177 N -0.37 5.21 0.56 0.00 -4.23 -1.26 -5.00 115.64 110.54 2jk2 s THR 177 Ca 0.11 -0.69 0.27 0.00 -1.18 0.00 0.00 61.69 60.20 2jk2 s THR 177 Cb -0.12 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 70.28 2jk2 s THR 177 CO 0.01 -0.35 2.00 1.55 -0.54 0.00 0.00 174.62 177.29 2jk2 h PRO 178 N 1.27 0.00 -0.12 3.99 0.13 -1.96 -2.13 132.00 133.18 2jk2 h PRO 178 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2jk2 h PRO 178 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jk2 h PRO 178 CO 0.63 0.00 -0.06 1.96 -0.23 0.00 0.00 178.00 180.30 2jk2 h GLN 179 N 0.00 0.25 0.00 0.86 7.50 -1.95 -1.62 115.11 120.15 2jk2 h GLN 179 Ca 0.20 -0.11 -0.10 0.00 0.50 0.00 0.00 58.65 59.14 2jk2 h GLN 179 Cb 0.90 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.41 2jk2 h GLN 179 CO -0.00 0.60 -0.49 -0.56 -1.50 0.00 0.00 178.83 176.87 2jk2 h GLN 180 N -0.11 0.00 0.23 1.46 3.07 -1.85 -0.86 115.11 117.05 2jk2 h GLN 180 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 2jk2 h GLN 180 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2jk2 h GLN 180 CO 0.02 0.49 -0.11 0.00 0.09 0.00 0.00 178.83 179.32 2jk2 h ALA 181 N 1.51 -0.31 -0.91 0.06 0.00 -1.42 -2.50 119.26 115.69 2jk2 h ALA 181 Ca -0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jk2 h ALA 181 Cb 1.07 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2jk2 h ALA 181 CO 0.06 -0.59 0.57 0.37 0.00 0.00 0.00 179.25 179.66 2jk2 h GLN 182 N -0.47 0.98 -0.22 0.00 5.75 -1.16 -1.55 115.11 118.43 2jk2 h GLN 182 Ca -0.03 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2jk2 h GLN 182 Cb 0.36 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 2jk2 h GLN 182 CO 0.05 0.65 -0.07 1.49 -2.65 0.00 0.00 178.83 178.31 2jk2 h GLU 183 N 1.01 -0.02 -0.22 1.69 4.81 -1.10 0.03 114.58 120.78 2jk2 h GLU 183 Ca 0.41 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 2jk2 h GLU 183 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2jk2 h GLU 183 CO -0.19 -0.01 -0.05 0.28 -0.73 0.00 0.00 179.01 178.30 2jk2 h VAL 184 N -0.02 1.28 -0.50 0.32 2.07 -1.09 -2.65 116.25 115.65 2jk2 h VAL 184 Ca 0.11 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.64 2jk2 h VAL 184 Cb 0.18 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2jk2 h VAL 184 CO -0.24 0.32 0.23 0.45 0.02 0.00 0.00 177.57 178.35 2jk2 h HIS 185 N 0.16 0.42 -0.98 1.57 3.86 -1.11 0.12 115.15 119.18 2jk2 h HIS 185 Ca 0.06 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 2jk2 h HIS 185 Cb 0.50 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 2jk2 h HIS 185 CO 0.05 0.18 0.63 1.49 0.86 0.00 0.00 177.93 181.15 2jk2 h GLU 186 N 0.45 1.17 -0.28 2.45 4.81 -0.99 -0.60 114.58 121.59 2jk2 h GLU 186 Ca 0.23 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2jk2 h GLU 186 Cb 0.18 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2jk2 h GLU 186 CO -0.19 0.77 -0.00 0.87 -0.73 0.00 0.00 179.01 179.73 2jk2 h LYS 187 N 1.21 0.50 -0.72 1.92 1.79 -0.97 -2.32 116.57 117.98 2jk2 h LYS 187 Ca 0.40 -0.16 0.03 0.00 -2.18 0.00 0.00 60.65 58.74 2jk2 h LYS 187 Cb 0.05 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 2jk2 h LYS 187 CO -0.14 0.66 0.45 -0.07 -1.08 0.00 0.00 179.45 179.27 2jk2 h LEU 188 N 0.29 0.73 -0.77 2.94 3.38 -0.49 -0.50 115.31 120.88 2jk2 h LEU 188 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2jk2 h LEU 188 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2jk2 h LEU 188 CO 0.02 0.50 -0.27 -0.09 0.09 0.00 0.00 178.44 178.68 2jk2 h ARG 189 N 0.87 0.63 -0.81 1.13 2.43 -1.09 -2.00 114.38 115.54 2jk2 h ARG 189 Ca 0.29 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2jk2 h ARG 189 Cb 0.04 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2jk2 h ARG 189 CO -0.12 0.84 0.38 0.78 -1.51 0.00 0.00 179.97 180.34 2jk2 h GLY 190 N 1.00 1.25 0.79 2.80 0.00 -0.96 -0.76 103.07 107.20 2jk2 h GLY 190 Ca 0.07 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.80 2jk2 h GLY 190 CO 0.06 0.60 0.19 -0.25 0.00 0.00 0.00 176.54 177.14 2jk2 h TRP 191 N 1.15 0.34 -0.59 5.60 7.01 -0.72 -0.71 115.95 128.03 2jk2 h TRP 191 Ca 0.28 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 2jk2 h TRP 191 Cb 0.13 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2jk2 h TRP 191 CO 0.01 0.18 0.31 -0.07 -2.79 0.00 0.00 178.44 176.08 2jk2 h LEU 192 N 0.38 0.76 -0.73 0.65 3.38 -0.95 0.93 115.31 119.73 2jk2 h LEU 192 Ca 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2jk2 h LEU 192 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2jk2 h LEU 192 CO -0.12 0.65 0.48 0.50 0.09 0.00 0.00 178.44 180.03 2jk2 h LYS 193 N 0.80 0.94 0.03 1.13 3.64 -0.91 -0.22 116.57 121.99 2jk2 h LYS 193 Ca 0.21 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 2jk2 h LYS 193 Cb 0.08 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2jk2 h LYS 193 CO -0.03 0.62 -0.98 0.77 -2.27 0.00 0.00 179.45 177.56 2jk2 h SER 194 N 0.97 0.22 0.00 4.20 0.02 -0.67 -3.36 113.55 114.93 2jk2 h SER 194 Ca 0.28 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2jk2 h SER 194 Cb -0.08 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2jk2 h SER 194 CO -0.07 1.08 -1.04 0.59 -1.14 0.00 0.00 176.83 176.24 2jk2 n ASN 195 N -3.56 2.85 0.00 3.07 3.02 0.28 -4.89 115.26 116.03 2jk2 n ASN 195 Ca -0.04 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 2jk2 n ASN 195 Cb 0.88 1.21 0.00 0.00 -0.61 0.00 0.00 39.78 41.26 2jk2 n ASN 195 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jk2 n VAL 196 N -1.57 0.00 -3.57 2.41 0.31 -0.21 -5.04 118.33 110.65 2jk2 n VAL 196 Ca -0.01 0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 2jk2 n VAL 196 Cb 0.14 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 2jk2 n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2jk2 s SER 197 N -0.92 -0.22 0.19 4.52 1.04 -0.51 -5.00 113.70 112.79 2jk2 s SER 197 Ca 0.00 -0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 2jk2 s SER 197 Cb 0.00 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.54 2jk2 s SER 197 CO 0.00 -0.43 1.82 0.44 0.98 0.00 0.00 173.24 176.05 2jk2 h ASP 198 N 2.00 0.57 -0.55 7.02 3.45 -1.82 -1.76 116.42 125.32 2jk2 h ASP 198 Ca -0.17 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.26 2jk2 h ASP 198 Cb 1.20 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 2jk2 h ASP 198 CO 0.26 0.39 0.17 0.00 -1.57 0.00 0.00 179.24 178.50 2jk2 h ALA 199 N 1.28 0.72 -0.58 3.45 0.00 -1.95 -1.16 119.26 121.02 2jk2 h ALA 199 Ca 0.25 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2jk2 h ALA 199 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jk2 h ALA 199 CO -0.12 0.38 0.00 0.28 0.00 0.00 0.00 179.25 179.80 2jk2 h VAL 200 N 0.77 1.26 -0.56 0.00 2.07 -1.89 -1.87 116.25 116.03 2jk2 h VAL 200 Ca 0.18 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2jk2 h VAL 200 Cb 0.28 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2jk2 h VAL 200 CO -0.01 0.41 0.36 0.00 0.02 0.00 0.00 177.57 178.35 2jk2 h ALA 201 N 0.98 0.72 -0.21 1.67 0.00 -0.99 -1.55 119.26 119.87 2jk2 h ALA 201 Ca 0.17 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2jk2 h ALA 201 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jk2 h ALA 201 CO 0.03 0.11 -0.33 0.37 0.00 0.00 0.00 179.25 179.43 2jk2 h GLN 202 N 0.72 0.44 0.00 0.00 -0.00 -1.01 -3.33 115.11 111.93 2jk2 h GLN 202 Ca 0.22 -0.19 -0.08 0.00 -0.00 0.00 0.00 58.65 58.60 2jk2 h GLN 202 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 2jk2 h GLN 202 CO -0.07 0.72 -1.91 -1.13 0.00 0.00 0.00 178.83 176.43 2jk2 n SER 203 N -4.08 0.16 -4.69 -0.69 3.41 -0.72 -4.72 113.62 102.30 2jk2 n SER 203 Ca -0.01 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 2jk2 n SER 203 Cb 0.45 1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 65.87 2jk2 n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jk2 s THR 204 N -3.27 4.51 -0.02 6.66 2.01 -0.60 -4.88 115.64 120.06 2jk2 s THR 204 Ca -0.07 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 2jk2 s THR 204 Cb 0.12 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2jk2 s THR 204 CO 0.87 0.01 0.99 -0.13 -0.69 0.00 0.00 174.62 175.67 2jk2 s ARG 205 N 2.04 4.53 -0.29 4.92 0.52 -1.26 -4.98 118.95 124.42 2jk2 s ARG 205 Ca 0.52 1.42 -0.00 0.00 -0.52 0.00 0.00 55.73 57.16 2jk2 s ARG 205 Cb -0.22 -3.47 0.06 0.00 0.52 0.00 0.00 34.95 31.84 2jk2 s ARG 205 CO 0.21 -0.10 -0.02 0.42 0.02 0.00 0.00 175.30 175.82 2jk2 s ILE 206 N 1.18 2.74 0.11 1.52 1.01 -1.26 -1.59 121.20 124.91 2jk2 s ILE 206 Ca 0.52 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2jk2 s ILE 206 Cb -0.21 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2jk2 s ILE 206 CO 0.26 -0.13 0.22 0.27 0.00 0.00 0.00 174.94 175.57 2jk2 s ILE 207 N 1.19 5.16 -0.18 2.92 -4.36 0.61 -1.13 121.20 125.41 2jk2 s ILE 207 Ca -0.05 -0.64 -0.15 0.00 -0.26 0.00 0.00 60.65 59.54 2jk2 s ILE 207 Cb -0.20 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 2jk2 s ILE 207 CO -0.03 0.01 0.37 -0.47 0.24 0.00 0.00 174.94 175.06 2jk2 s TYR 208 N -1.63 3.41 -0.30 1.37 5.04 -0.17 -0.92 117.35 124.16 2jk2 s TYR 208 Ca 0.34 0.62 0.14 0.00 -2.44 0.00 0.00 57.07 55.73 2jk2 s TYR 208 Cb -0.12 -2.46 0.36 0.00 0.35 0.00 0.00 41.96 40.08 2jk2 s TYR 208 CO 0.27 0.08 1.26 0.41 -1.34 0.00 0.00 175.55 176.24 2jk2 n GLY 209 N 3.72 3.85 0.76 8.97 0.00 0.17 -1.43 105.19 121.24 2jk2 n GLY 209 Ca -0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 2jk2 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jk2 n GLY 210 N -0.53 -0.34 3.68 -0.02 0.00 -1.25 -4.66 105.19 102.07 2jk2 n GLY 210 Ca 0.15 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 2jk2 n GLY 210 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jk2 n SER 211 N -3.09 3.73 -3.86 1.61 2.88 -1.26 -4.84 113.62 108.79 2jk2 n SER 211 Ca 0.03 1.00 -0.23 0.00 -1.33 0.00 0.00 58.87 58.34 2jk2 n SER 211 Cb 0.12 -1.48 -0.17 0.00 -0.75 0.00 0.00 64.21 61.93 2jk2 n SER 211 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jk2 s VAL 212 N 2.80 0.62 0.33 2.46 1.01 -1.26 -5.04 120.40 121.32 2jk2 s VAL 212 Ca 0.84 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.81 2jk2 s VAL 212 Cb -0.57 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 2jk2 s VAL 212 CO 0.41 0.28 -0.06 0.42 0.00 0.00 0.00 175.10 176.15 2jk2 s THR 213 N 1.46 1.95 0.49 3.92 -4.23 -1.26 -4.74 115.64 113.23 2jk2 s THR 213 Ca -0.02 -2.15 0.21 0.00 -1.18 0.00 0.00 61.69 58.56 2jk2 s THR 213 Cb -0.13 -2.62 0.37 0.00 1.34 0.00 0.00 72.50 71.46 2jk2 s THR 213 CO -0.03 -0.20 1.98 1.23 -0.54 0.00 0.00 174.62 177.06 2jk2 h GLY 214 N 2.09 0.23 1.87 3.99 0.00 -1.95 -0.90 103.07 108.40 2jk2 h GLY 214 Ca -0.41 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2jk2 h GLY 214 CO 0.70 0.03 -0.11 0.00 0.00 0.00 0.00 176.54 177.16 2jk2 h ALA 215 N 1.72 0.93 -0.00 3.60 0.00 -1.98 -3.34 119.26 120.19 2jk2 h ALA 215 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jk2 h ALA 215 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jk2 h ALA 215 CO -0.04 0.00 -0.22 0.25 0.00 0.00 0.00 179.25 179.24 2jk2 n THR 216 N -2.55 0.00 0.14 0.00 -2.24 -0.79 -4.75 114.28 104.09 2jk2 n THR 216 Ca 0.05 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 2jk2 n THR 216 Cb 0.47 1.01 0.23 0.00 -2.10 0.00 0.00 70.33 69.94 2jk2 n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jk2 h LYS 218 N 0.05 -0.23 -0.59 0.00 6.56 -1.81 -0.61 116.57 119.94 2jk2 h LYS 218 Ca -0.00 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2jk2 h LYS 218 Cb 0.92 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.61 2jk2 h LYS 218 CO 0.07 0.00 0.29 0.93 -2.06 0.00 0.00 179.45 178.68 2jk2 h GLU 219 N -0.44 0.83 -0.27 3.15 5.08 -1.89 -2.10 114.58 118.95 2jk2 h GLU 219 Ca -0.02 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 2jk2 h GLU 219 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jk2 h GLU 219 CO 0.04 0.64 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.27 2jk2 h LEU 220 N 0.83 0.78 -1.29 1.33 3.38 -1.45 -3.22 115.31 115.66 2jk2 h LEU 220 Ca 0.21 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2jk2 h LEU 220 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2jk2 h LEU 220 CO -0.03 1.12 -0.15 0.00 0.09 0.00 0.00 178.44 179.47 2jk2 h ALA 221 N 0.68 1.04 -0.00 1.53 0.00 -0.81 -2.74 119.26 118.96 2jk2 h ALA 221 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jk2 h ALA 221 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jk2 h ALA 221 CO 0.08 0.19 -0.15 -1.13 0.00 0.00 0.00 179.25 178.25 2jk2 n SER 222 N -3.34 0.22 -4.72 0.00 3.41 -0.81 -4.83 113.62 103.55 2jk2 n SER 222 Ca 0.00 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 2jk2 n SER 222 Cb 0.38 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 2jk2 n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2jk2 s GLN 223 N -2.85 4.29 0.39 4.33 -1.52 -1.03 -4.92 119.66 118.35 2jk2 s GLN 223 Ca 0.18 2.18 0.17 0.00 -1.95 0.00 0.00 55.36 55.94 2jk2 s GLN 223 Cb 0.19 -3.20 1.06 0.00 -0.22 0.00 0.00 33.01 30.85 2jk2 s GLN 223 CO 0.55 -0.46 1.78 -1.35 -0.25 0.00 0.00 175.29 175.57 2jk2 h PRO 224 N 6.38 0.42 -0.35 2.91 0.11 -1.90 -2.56 132.00 137.02 2jk2 h PRO 224 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jk2 h PRO 224 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jk2 h PRO 224 CO 0.86 0.28 0.00 -0.25 -0.21 0.00 0.00 178.00 178.67 2jk2 n ASP 225 N -4.62 2.93 -4.54 -2.05 9.92 -1.26 -4.89 116.55 112.05 2jk2 n ASP 225 Ca 0.24 -2.01 -0.40 0.00 -0.53 0.00 0.00 54.79 52.09 2jk2 n ASP 225 Cb 0.82 -0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.96 2jk2 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jk2 s VAL 226 N -1.01 5.26 -1.13 2.53 1.01 -0.96 -4.61 120.40 121.48 2jk2 s VAL 226 Ca 0.23 -0.14 0.15 0.00 0.00 0.00 0.00 61.98 62.23 2jk2 s VAL 226 Cb 0.12 -3.73 0.48 0.00 0.00 0.00 0.00 36.38 33.25 2jk2 s VAL 226 CO 0.16 -0.01 1.40 0.47 0.00 0.00 0.00 175.10 177.12 2jk2 n ASP 227 N 5.16 3.58 0.00 3.32 8.00 -0.28 -4.75 116.55 131.58 2jk2 n ASP 227 Ca -0.12 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.20 2jk2 n ASP 227 Cb 0.50 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2jk2 n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jk2 n GLY 228 N 0.78 0.53 3.07 0.44 0.00 -1.26 -1.56 105.19 107.19 2jk2 n GLY 228 Ca 0.18 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 2jk2 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jk2 s PHE 229 N -3.33 0.09 -0.38 1.61 0.08 -0.32 -1.00 117.98 114.73 2jk2 s PHE 229 Ca 0.00 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 2jk2 s PHE 229 Cb 0.00 -0.08 0.09 0.00 -0.57 0.00 0.00 43.02 42.46 2jk2 s PHE 229 CO 0.00 -0.25 0.14 -1.17 -0.10 0.00 0.00 175.22 173.84 2jk2 s LEU 230 N -1.32 4.88 -0.09 -0.37 2.96 -0.51 -0.68 118.68 123.55 2jk2 s LEU 230 Ca -0.14 -1.83 -0.19 0.00 -0.22 0.00 0.00 54.13 51.74 2jk2 s LEU 230 Cb -0.08 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2jk2 s LEU 230 CO 0.01 -0.46 0.54 -0.69 -1.32 0.00 0.00 176.35 174.43 2jk2 s VAL 231 N 1.16 5.11 0.00 1.68 1.01 0.81 -4.35 120.40 125.82 2jk2 s VAL 231 Ca 0.05 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2jk2 s VAL 231 Cb -0.22 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2jk2 s VAL 231 CO -0.03 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2jk2 n GLY 232 N 3.06 1.15 0.37 4.51 0.00 -1.26 -0.22 105.19 112.81 2jk2 n GLY 232 Ca -0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2jk2 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jk2 h GLY 233 N 0.00 1.40 2.00 -0.02 0.00 -1.95 -0.42 103.07 104.08 2jk2 h GLY 233 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2jk2 h GLY 233 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.52 2jk2 h ALA 234 N 1.62 1.00 0.00 3.60 0.00 -1.88 -2.05 119.26 121.55 2jk2 h ALA 234 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2jk2 h ALA 234 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jk2 h ALA 234 CO -0.29 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.62 2jk2 h SER 235 N 0.00 0.00 0.70 0.00 4.64 -1.30 -2.38 113.55 115.21 2jk2 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jk2 h SER 235 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2jk2 h SER 235 CO 0.00 0.00 -0.38 0.18 -0.87 0.00 0.00 176.83 175.76 2jk2 n LEU 236 N -2.75 0.41 -4.53 5.97 4.77 -0.77 -4.86 117.00 115.23 2jk2 n LEU 236 Ca 0.01 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 2jk2 n LEU 236 Cb 0.24 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 2jk2 n LEU 236 CO 0.23 0.06 -0.39 -1.59 -1.33 0.00 0.00 177.39 174.37 2jk2 s LYS 237 N -3.03 1.79 0.61 3.23 -2.85 -0.90 -4.93 119.74 113.66 2jk2 s LYS 237 Ca 0.11 -1.92 0.27 0.00 -1.00 0.00 0.00 55.97 53.44 2jk2 s LYS 237 Cb 0.17 -1.65 1.34 0.00 -2.06 0.00 0.00 37.83 35.63 2jk2 s LYS 237 CO 0.66 0.14 1.75 -1.35 0.10 0.00 0.00 175.35 176.65 2jk2 h PRO 238 N 2.06 0.00 -0.19 1.78 0.11 -1.92 -0.87 132.00 132.97 2jk2 h PRO 238 Ca -0.42 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.75 2jk2 h PRO 238 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2jk2 h PRO 238 CO 0.70 0.00 0.24 1.49 -0.21 0.00 0.00 178.00 180.21 2jk2 h GLU 239 N 0.00 0.00 -0.91 1.05 4.81 -1.96 -1.86 114.58 115.71 2jk2 h GLU 239 Ca 0.22 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 2jk2 h GLU 239 Cb 1.46 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.78 2jk2 h GLU 239 CO -0.00 0.00 0.59 0.35 -0.73 0.00 0.00 179.01 179.22 2jk2 h PHE 240 N 0.00 1.07 -0.51 0.92 3.57 -1.06 -2.10 116.94 118.82 2jk2 h PHE 240 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2jk2 h PHE 240 Cb 0.56 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2jk2 h PHE 240 CO 0.00 0.58 0.25 0.28 -2.23 0.00 0.00 178.31 177.19 2jk2 h VAL 241 N 1.07 1.19 -0.64 1.41 2.07 -1.56 0.60 116.25 120.39 2jk2 h VAL 241 Ca 0.38 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2jk2 h VAL 241 Cb 0.13 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2jk2 h VAL 241 CO -0.13 0.22 0.29 0.44 0.02 0.00 0.00 177.57 178.40 2jk2 h ASP 242 N 0.68 0.34 -0.65 0.57 3.32 -1.50 -2.00 116.42 117.18 2jk2 h ASP 242 Ca 0.18 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2jk2 h ASP 242 Cb 0.12 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2jk2 h ASP 242 CO -0.02 0.20 0.13 0.40 -1.72 0.00 0.00 179.24 178.24 2jk2 h ILE 243 N 0.50 1.26 -0.96 0.35 2.04 -0.76 -1.85 117.51 118.09 2jk2 h ILE 243 Ca 0.32 -0.99 0.11 0.00 1.00 0.00 0.00 64.86 65.30 2jk2 h ILE 243 Cb 0.35 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 2jk2 h ILE 243 CO -0.27 0.37 0.61 0.40 0.00 0.00 0.00 178.15 179.26 2jk2 h ILE 244 N 1.02 0.93 -0.46 -0.67 2.04 -0.33 -2.14 117.51 117.89 2jk2 h ILE 244 Ca 0.21 -0.32 -0.21 0.00 1.00 0.00 0.00 64.86 65.54 2jk2 h ILE 244 Cb 0.40 -0.09 -0.12 0.00 -0.74 0.00 0.00 36.82 36.26 2jk2 h ILE 244 CO 0.01 0.17 0.26 0.59 0.00 0.00 0.00 178.15 179.18 2jk2 n ASN 245 N -4.58 3.39 0.26 1.72 3.02 -0.71 -4.55 115.26 113.81 2jk2 n ASN 245 Ca 0.18 -2.75 0.12 0.00 -0.03 0.00 0.00 54.58 52.10 2jk2 n ASN 245 Cb 0.35 -0.66 0.70 0.00 -0.61 0.00 0.00 39.78 39.57 2jk2 n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jk2 h ALA 246 N 1.82 1.26 -0.01 5.41 0.00 -1.25 -2.33 119.26 124.16 2jk2 h ALA 246 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jk2 h ALA 246 Cb 1.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2jk2 h ALA 246 CO 0.50 0.16 -0.47 1.17 0.00 0.00 0.00 179.25 180.61 2jk2 n LYS 247 N -3.61 0.55 0.00 0.00 3.00 -1.26 -4.48 118.16 112.35 2jk2 n LYS 247 Ca -0.02 -0.37 0.15 0.00 -0.00 0.00 0.00 58.31 58.08 2jk2 n LYS 247 Cb 0.25 -1.49 0.84 0.00 0.00 0.00 0.00 35.03 34.63 2jk2 n LYS 247 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44