#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj2 h GLN 2 N 0.00 0.52 -5.41 2.61 1.08 -1.95 -3.44 115.11 108.52 1kj2 h GLN 2 Ca 0.00 -0.70 -0.47 0.00 -1.45 0.00 0.00 58.65 56.02 1kj2 h GLN 2 Cb 0.00 0.24 -0.26 0.00 -0.05 0.00 0.00 27.48 27.40 1kj2 h GLN 2 CO 0.00 1.31 -0.80 0.08 -0.95 0.00 0.00 178.83 178.46 1kj2 s VAL 3 N -2.95 1.18 -0.26 -0.54 1.01 -1.26 -2.09 120.40 115.49 1kj2 s VAL 3 Ca -0.08 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1kj2 s VAL 3 Cb 0.06 -1.04 0.10 0.00 0.00 0.00 0.00 36.38 35.50 1kj2 s VAL 3 CO 0.91 0.12 0.60 0.00 0.00 0.00 0.00 175.10 176.73 1kj2 s ARG 4 N -0.92 0.56 0.47 2.72 1.70 -0.61 -4.41 118.95 118.46 1kj2 s ARG 4 Ca 0.03 1.23 0.05 0.00 -0.47 0.00 0.00 55.73 56.58 1kj2 s ARG 4 Cb -0.07 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 1kj2 s ARG 4 CO 0.01 -0.19 0.44 0.00 -1.08 0.00 0.00 175.30 174.49 1kj2 n GLN 5 N 4.90 0.77 -3.65 3.89 10.64 -1.26 -1.56 117.38 131.11 1kj2 n GLN 5 Ca -0.16 -2.79 -0.01 0.00 -1.83 0.00 0.00 57.00 52.21 1kj2 n GLN 5 Cb 0.53 0.15 -0.03 0.00 -0.86 0.00 0.00 30.24 30.03 1kj2 n GLN 5 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1kj2 s SER 6 N -3.79 -0.00 0.59 2.61 1.04 -1.15 -4.80 113.70 108.20 1kj2 s SER 6 Ca 0.34 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.64 1kj2 s SER 6 Cb -0.03 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 1kj2 s SER 6 CO 0.21 -0.00 1.02 -2.16 0.98 0.00 0.00 173.24 173.29 1kj2 s PRO 7 N -1.26 3.70 0.39 4.02 0.04 -1.26 -1.50 135.00 139.13 1kj2 s PRO 7 Ca 0.10 0.83 0.28 0.00 0.04 0.00 0.00 61.00 62.25 1kj2 s PRO 7 Cb -0.01 -2.10 1.04 0.00 0.04 0.00 0.00 34.50 33.47 1kj2 s PRO 7 CO -0.07 -0.49 1.82 -0.56 0.04 0.00 0.00 177.00 177.74 1kj2 h GLN 8 N 0.09 0.00 -4.44 4.56 3.07 -1.87 -3.43 115.11 113.09 1kj2 h GLN 8 Ca -0.45 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.00 1kj2 h GLN 8 Cb 1.19 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 28.51 1kj2 h GLN 8 CO 0.62 0.00 -0.74 -1.12 0.09 0.00 0.00 178.83 177.68 1kj2 s SER 9 N -5.07 0.74 -0.27 0.06 0.01 -1.26 -1.12 113.70 106.78 1kj2 s SER 9 Ca 0.04 -0.37 -0.23 0.00 1.31 0.00 0.00 55.95 56.70 1kj2 s SER 9 Cb 0.09 -0.00 0.08 0.00 0.21 0.00 0.00 66.02 66.40 1kj2 s SER 9 CO 0.51 -0.11 0.74 -0.22 0.41 0.00 0.00 173.24 174.57 1kj2 s LEU 10 N -1.02 -0.77 0.04 2.44 2.96 -0.77 -4.94 118.68 116.62 1kj2 s LEU 10 Ca -0.06 1.41 0.07 0.00 -0.22 0.00 0.00 54.13 55.33 1kj2 s LEU 10 Cb -0.07 2.40 -0.02 0.00 0.50 0.00 0.00 46.19 48.99 1kj2 s LEU 10 CO 0.00 -0.24 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.72 1kj2 s THR 11 N 0.69 1.51 -0.08 3.68 2.01 -1.26 -0.71 115.64 121.48 1kj2 s THR 11 Ca -0.02 -1.14 -0.19 0.00 0.31 0.00 0.00 61.69 60.64 1kj2 s THR 11 Cb -0.05 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.18 1kj2 s THR 11 CO -0.05 0.15 0.45 0.54 -0.69 0.00 0.00 174.62 175.02 1kj2 s VAL 12 N -0.81 0.03 0.18 3.82 0.11 -0.69 -4.98 120.40 118.05 1kj2 s VAL 12 Ca 0.06 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1kj2 s VAL 12 Cb -0.09 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 33.97 1kj2 s VAL 12 CO 0.02 -0.11 1.02 0.26 -3.33 0.00 0.00 175.10 172.95 1kj2 s TRP 13 N -0.78 3.75 0.29 1.54 0.52 -1.26 -2.07 118.94 120.92 1kj2 s TRP 13 Ca -0.09 1.74 -0.27 0.00 0.02 0.00 0.00 56.10 57.51 1kj2 s TRP 13 Cb -0.03 -3.14 -0.14 0.00 -1.15 0.00 0.00 33.47 29.00 1kj2 s TRP 13 CO 0.04 -0.11 0.83 -1.91 0.02 0.00 0.00 176.95 175.82 1kj2 n GLU 14 N 2.19 0.93 -0.08 4.98 2.13 -1.20 -0.64 120.64 128.95 1kj2 n GLU 14 Ca 0.01 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1kj2 n GLU 14 Cb 0.47 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1kj2 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kj2 n GLY 15 N 1.48 1.63 3.95 8.31 0.00 -1.17 -4.88 105.19 114.51 1kj2 n GLY 15 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1kj2 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kj2 s GLU 16 N -0.42 3.30 -0.39 1.61 0.41 0.19 -4.15 118.70 119.26 1kj2 s GLU 16 Ca 0.00 -0.48 -0.16 0.00 -0.41 0.00 0.00 54.97 53.92 1kj2 s GLU 16 Cb 0.00 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 29.70 1kj2 s GLU 16 CO 0.00 0.01 0.40 0.99 -0.49 0.00 0.00 175.26 176.18 1kj2 s THR 17 N -2.37 5.12 0.35 3.63 2.01 -1.26 0.19 115.64 123.31 1kj2 s THR 17 Ca 0.43 -0.20 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1kj2 s THR 17 Cb -0.10 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 1kj2 s THR 17 CO 0.36 -0.29 0.73 0.00 -0.69 0.00 0.00 174.62 174.73 1kj2 s ALA 18 N 2.08 3.35 -0.13 7.40 0.00 -0.47 -4.92 121.76 129.06 1kj2 s ALA 18 Ca 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1kj2 s ALA 18 Cb -0.17 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.29 1kj2 s ALA 18 CO 0.13 0.22 0.10 0.42 0.00 0.00 0.00 175.76 176.62 1kj2 s ILE 19 N -2.11 -0.13 -0.17 0.00 1.01 -1.26 -1.17 121.20 117.38 1kj2 s ILE 19 Ca 0.52 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 1kj2 s ILE 19 Cb -0.10 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1kj2 s ILE 19 CO 0.23 -0.11 -0.02 -0.76 0.00 0.00 0.00 174.94 174.28 1kj2 s LEU 20 N 2.17 3.32 0.55 2.97 1.43 -0.36 -4.84 118.68 123.92 1kj2 s LEU 20 Ca 0.03 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1kj2 s LEU 20 Cb -0.15 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1kj2 s LEU 20 CO -0.07 0.15 0.78 0.20 0.23 0.00 0.00 176.35 177.64 1kj2 s ASN 21 N 0.46 5.33 -0.21 2.29 0.01 -0.56 -0.80 114.94 121.45 1kj2 s ASN 21 Ca -0.02 0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 51.93 1kj2 s ASN 21 Cb -0.14 -1.01 0.13 0.00 0.41 0.00 0.00 41.25 40.64 1kj2 s ASN 21 CO 0.02 -1.11 1.03 0.00 -1.51 0.00 0.00 177.10 175.54 1kj2 s SER 23 N -0.56 -0.10 0.16 0.00 1.04 -0.60 -1.29 113.70 112.35 1kj2 s SER 23 Ca 0.01 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 1kj2 s SER 23 Cb -0.02 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1kj2 s SER 23 CO -0.02 -0.68 0.15 -0.72 0.98 0.00 0.00 173.24 172.95 1kj2 s TYR 24 N -2.99 0.80 -0.27 5.02 -0.85 -1.08 -1.57 117.35 116.41 1kj2 s TYR 24 Ca -0.02 -1.13 0.09 0.00 -0.52 0.00 0.00 57.07 55.48 1kj2 s TYR 24 Cb 0.01 -0.37 -0.11 0.00 0.38 0.00 0.00 41.96 41.87 1kj2 s TYR 24 CO -0.06 -0.62 0.31 0.39 -1.52 0.00 0.00 175.55 174.05 1kj2 n GLU 25 N -0.18 2.77 -3.20 -3.49 -0.58 -0.89 -4.83 120.64 110.24 1kj2 n GLU 25 Ca -0.04 -0.03 -0.44 0.00 -0.42 0.00 0.00 57.16 56.23 1kj2 n GLU 25 Cb 0.64 -1.02 -0.07 0.00 -0.57 0.00 0.00 31.44 30.43 1kj2 n GLU 25 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kj2 s ASP 26 N -2.25 6.21 0.00 1.62 3.68 -1.26 -4.89 116.67 119.78 1kj2 s ASP 26 Ca 0.01 -0.99 0.11 0.00 2.13 0.00 0.00 52.55 53.81 1kj2 s ASP 26 Cb 0.06 -2.27 0.65 0.00 -1.45 0.00 0.00 42.92 39.92 1kj2 s ASP 26 CO 0.36 -0.84 1.15 -1.54 0.13 0.00 0.00 175.17 174.43 1kj2 n SER 27 N 5.97 0.00 0.01 -0.34 3.41 -1.26 -1.64 113.62 119.77 1kj2 n SER 27 Ca -0.08 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.40 1kj2 n SER 27 Cb 0.45 -0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.42 1kj2 n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1kj2 n THR 28 N -1.07 0.06 -1.68 6.66 -1.04 -1.26 -4.91 114.28 111.05 1kj2 n THR 28 Ca 0.08 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1kj2 n THR 28 Cb 0.05 0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 1kj2 n THR 28 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1kj2 n PHE 29 N -1.67 2.56 0.34 -1.42 0.99 -0.65 -4.47 117.46 113.14 1kj2 n PHE 29 Ca 0.04 -0.16 0.04 0.00 -0.00 0.00 0.00 57.45 57.36 1kj2 n PHE 29 Cb 0.37 -2.73 -0.04 0.00 -1.00 0.00 0.00 39.48 36.08 1kj2 n PHE 29 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1kj2 n ASN 30 N 5.98 0.45 -3.94 4.37 2.04 0.23 -4.83 115.26 119.57 1kj2 n ASN 30 Ca 0.19 -0.65 -0.20 0.00 -0.44 0.00 0.00 54.58 53.48 1kj2 n ASN 30 Cb 0.37 1.01 -0.16 0.00 -2.53 0.00 0.00 39.78 38.47 1kj2 n ASN 30 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1kj2 s TYR 31 N -1.73 0.78 -0.36 -2.53 5.04 -1.15 -0.87 117.35 116.52 1kj2 s TYR 31 Ca 0.03 -0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1kj2 s TYR 31 Cb 0.06 -0.62 0.11 0.00 0.35 0.00 0.00 41.96 41.86 1kj2 s TYR 31 CO 0.31 -0.14 0.14 -0.06 -1.34 0.00 0.00 175.55 174.46 1kj2 s PHE 32 N 0.55 2.15 0.06 4.97 0.40 -0.88 -1.73 117.98 123.49 1kj2 s PHE 32 Ca -0.08 -2.19 -0.08 0.00 -0.60 0.00 0.00 56.93 53.98 1kj2 s PHE 32 Cb -0.11 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 1kj2 s PHE 32 CO 0.00 -0.85 0.35 -1.25 0.70 0.00 0.00 175.22 174.17 1kj2 s PRO 33 N 1.04 3.68 -0.19 0.24 0.04 -1.12 -2.51 135.00 136.18 1kj2 s PRO 33 Ca 0.13 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.18 1kj2 s PRO 33 Cb -0.20 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1kj2 s PRO 33 CO -0.13 0.58 -0.01 -1.58 0.04 0.00 0.00 177.00 175.90 1kj2 s TRP 34 N -1.38 3.04 -0.06 0.56 0.52 0.62 -1.25 118.94 120.99 1kj2 s TRP 34 Ca 0.32 -0.42 -0.00 0.00 0.02 0.00 0.00 56.10 56.01 1kj2 s TRP 34 Cb -0.14 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.10 1kj2 s TRP 34 CO 0.18 -0.19 -0.02 0.71 0.02 0.00 0.00 176.95 177.65 1kj2 s TYR 35 N 0.85 3.08 -0.29 -1.98 1.51 -0.69 0.66 117.35 120.49 1kj2 s TYR 35 Ca 0.00 0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1kj2 s TYR 35 Cb -0.14 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1kj2 s TYR 35 CO 0.02 0.43 0.07 -1.14 -1.11 0.00 0.00 175.55 173.82 1kj2 s GLN 36 N -1.04 3.09 -0.23 -0.62 0.74 0.17 -1.26 119.66 120.50 1kj2 s GLN 36 Ca 0.15 -0.86 -0.03 0.00 0.05 0.00 0.00 55.36 54.67 1kj2 s GLN 36 Cb -0.11 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1kj2 s GLN 36 CO 0.04 -0.44 -0.05 -1.14 -0.55 0.00 0.00 175.29 173.15 1kj2 s GLN 37 N 1.49 3.21 -0.05 1.67 0.74 0.36 -2.58 119.66 124.49 1kj2 s GLN 37 Ca 0.02 -0.73 -0.16 0.00 0.05 0.00 0.00 55.36 54.54 1kj2 s GLN 37 Cb -0.17 -2.98 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 1kj2 s GLN 37 CO 0.02 -0.26 0.44 -0.06 -0.55 0.00 0.00 175.29 174.89 1kj2 s PHE 38 N 1.43 3.63 -0.11 1.67 0.08 -1.26 -0.96 117.98 122.45 1kj2 s PHE 38 Ca 0.04 0.95 -0.38 0.00 0.12 0.00 0.00 56.93 57.66 1kj2 s PHE 38 Cb -0.15 -2.42 -0.16 0.00 -0.57 0.00 0.00 43.02 39.72 1kj2 s PHE 38 CO -0.04 0.41 1.58 -0.35 -0.10 0.00 0.00 175.22 176.72 1kj2 n PRO 39 N 2.71 1.21 0.00 0.24 -0.04 -1.26 -2.73 135.00 135.12 1kj2 n PRO 39 Ca -0.11 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1kj2 n PRO 39 Cb 0.52 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1kj2 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kj2 n GLY 40 N 3.49 3.58 3.47 0.55 0.00 -1.26 -5.10 105.19 109.92 1kj2 n GLY 40 Ca 0.23 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 1kj2 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kj2 s GLU 41 N 0.00 1.66 1.04 1.61 8.01 -1.11 -5.15 118.70 124.77 1kj2 s GLU 41 Ca 0.00 -1.91 -0.18 0.00 0.01 0.00 0.00 54.97 52.89 1kj2 s GLU 41 Cb 0.00 -1.03 0.03 0.00 -4.31 0.00 0.00 34.13 28.82 1kj2 s GLU 41 CO 0.00 -0.12 -0.12 0.41 0.01 0.00 0.00 175.26 175.44 1kj2 n GLY 42 N -0.70 -2.59 3.75 -1.39 0.00 -1.26 -4.43 105.19 98.57 1kj2 n GLY 42 Ca -0.03 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1kj2 n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kj2 s PRO 43 N -3.22 4.45 -0.06 1.61 0.02 -1.26 -4.69 135.00 131.84 1kj2 s PRO 43 Ca 0.53 2.00 0.05 0.00 0.02 0.00 0.00 61.00 63.60 1kj2 s PRO 43 Cb -0.13 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 1kj2 s PRO 43 CO 0.68 -0.13 -0.22 0.00 -0.33 0.00 0.00 177.00 177.00 1kj2 s ALA 44 N -0.36 1.92 0.17 -1.55 0.00 -1.06 -4.91 121.76 115.96 1kj2 s ALA 44 Ca 0.52 -0.90 -0.33 0.00 0.00 0.00 0.00 51.96 51.25 1kj2 s ALA 44 Cb -0.35 -0.63 -0.13 0.00 0.00 0.00 0.00 23.12 22.00 1kj2 s ALA 44 CO 0.41 0.34 1.61 -0.11 0.00 0.00 0.00 175.76 178.01 1kj2 n LEU 45 N 3.11 3.31 -0.09 0.00 7.94 -1.26 0.43 117.00 130.44 1kj2 n LEU 45 Ca -0.18 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 55.62 1kj2 n LEU 45 Cb 0.52 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 1kj2 n LEU 45 CO 0.26 -0.18 -1.03 -0.11 -1.11 0.00 0.00 177.39 175.22 1kj2 n LEU 46 N 3.51 1.62 -3.61 -1.96 7.94 0.21 -4.77 117.00 119.94 1kj2 n LEU 46 Ca 0.17 0.28 -0.13 0.00 -1.11 0.00 0.00 56.01 55.21 1kj2 n LEU 46 Cb 0.30 -0.65 -0.07 0.00 0.53 0.00 0.00 43.42 43.53 1kj2 n LEU 46 CO 0.63 0.19 0.51 -0.51 -1.11 0.00 0.00 177.39 177.10 1kj2 s ILE 47 N -2.51 0.00 0.16 1.96 2.07 -1.09 -5.02 121.20 116.77 1kj2 s ILE 47 Ca -0.28 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1kj2 s ILE 47 Cb 0.09 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.64 1kj2 s ILE 47 CO 0.37 0.00 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.41 1kj2 s SER 48 N 0.08 1.54 0.02 4.50 1.04 -1.26 -0.27 113.70 119.34 1kj2 s SER 48 Ca -0.01 -1.08 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 1kj2 s SER 48 Cb -0.04 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 1kj2 s SER 48 CO 0.01 -0.44 0.10 -0.51 0.98 0.00 0.00 173.24 173.38 1kj2 s ILE 49 N -3.47 0.10 -0.00 -1.02 2.07 -1.05 -4.95 121.20 112.89 1kj2 s ILE 49 Ca 0.19 -0.86 -0.01 0.00 -1.41 0.00 0.00 60.65 58.56 1kj2 s ILE 49 Cb 0.04 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1kj2 s ILE 49 CO 0.01 -0.47 0.11 -0.13 -1.91 0.00 0.00 174.94 172.55 1kj2 s ARG 50 N -1.80 3.17 0.63 3.50 0.52 -1.26 -2.08 118.95 121.63 1kj2 s ARG 50 Ca -0.12 -0.44 0.33 0.00 -0.52 0.00 0.00 55.73 54.98 1kj2 s ARG 50 Cb -0.06 -2.93 1.78 0.00 0.52 0.00 0.00 34.95 34.26 1kj2 s ARG 50 CO -0.01 0.65 2.00 0.66 0.02 0.00 0.00 175.30 178.62 1kj2 h SER 51 N 4.00 0.00 0.86 0.23 4.64 -1.33 0.17 113.55 122.13 1kj2 h SER 51 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1kj2 h SER 51 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1kj2 h SER 51 CO 0.64 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.93 1kj2 n VAL 52 N -2.86 0.43 -4.17 0.95 0.24 -1.26 -4.79 118.33 106.87 1kj2 n VAL 52 Ca -0.02 0.07 -0.26 0.00 -2.04 0.00 0.00 64.34 62.09 1kj2 n VAL 52 Cb 0.27 -0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 1kj2 n VAL 52 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1kj2 s SER 53 N -3.21 4.42 0.00 -1.34 0.01 0.59 -5.05 113.70 109.12 1kj2 s SER 53 Ca 0.11 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1kj2 s SER 53 Cb 0.15 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1kj2 s SER 53 CO 0.44 -0.68 0.13 -0.90 0.41 0.00 0.00 173.24 172.64 1kj2 n ASP 54 N -1.33 0.27 -3.70 2.44 5.75 -1.26 -4.83 116.55 113.89 1kj2 n ASP 54 Ca -0.03 -0.97 -0.11 0.00 -0.01 0.00 0.00 54.79 53.67 1kj2 n ASP 54 Cb 0.65 0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.64 1kj2 n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1kj2 s LYS 55 N -0.01 0.44 -0.12 0.11 2.20 -1.26 -1.30 119.74 119.81 1kj2 s LYS 55 Ca 0.00 0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 56.36 1kj2 s LYS 55 Cb 0.00 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1kj2 s LYS 55 CO 0.00 -0.13 0.03 0.21 -0.36 0.00 0.00 175.35 175.09 1kj2 s LYS 56 N 1.14 0.49 -0.12 4.03 2.36 -0.75 -4.97 119.74 121.91 1kj2 s LYS 56 Ca -0.07 -0.05 0.02 0.00 -2.55 0.00 0.00 55.97 53.31 1kj2 s LYS 56 Cb -0.07 -1.39 -0.00 0.00 -1.05 0.00 0.00 37.83 35.32 1kj2 s LYS 56 CO -0.10 -0.46 -0.19 -1.21 1.55 0.00 0.00 175.35 174.95 1kj2 s GLU 57 N 1.98 3.18 -0.24 4.03 2.02 -1.26 -0.66 118.70 127.74 1kj2 s GLU 57 Ca 0.03 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 1kj2 s GLU 57 Cb -0.14 -2.48 0.12 0.00 0.10 0.00 0.00 34.13 31.73 1kj2 s GLU 57 CO -0.06 0.13 0.31 0.34 0.02 0.00 0.00 175.26 176.00 1kj2 s ASP 58 N 0.49 0.85 1.66 -0.19 3.68 -0.74 -5.04 116.67 117.39 1kj2 s ASP 58 Ca -0.13 -0.09 0.00 0.00 2.13 0.00 0.00 52.55 54.46 1kj2 s ASP 58 Cb -0.17 0.77 0.00 0.00 -1.45 0.00 0.00 42.92 42.07 1kj2 s ASP 58 CO 0.05 -0.32 0.00 0.61 0.13 0.00 0.00 175.17 175.64 1kj2 n GLY 59 N 5.34 2.58 0.78 2.66 0.00 -1.26 -2.10 105.19 113.19 1kj2 n GLY 59 Ca -0.04 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1kj2 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kj2 n ARG 61 N 6.83 1.85 -4.04 1.61 1.74 -1.26 -4.98 116.66 118.40 1kj2 n ARG 61 Ca 0.00 -1.62 -0.32 0.00 -0.77 0.00 0.00 57.85 55.14 1kj2 n ARG 61 Cb 0.00 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 1kj2 n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kj2 s PHE 62 N -1.84 3.32 -0.14 -1.55 0.40 -0.89 -1.39 117.98 115.88 1kj2 s PHE 62 Ca 0.23 0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.70 1kj2 s PHE 62 Cb 0.17 -1.72 0.07 0.00 0.51 0.00 0.00 43.02 42.05 1kj2 s PHE 62 CO 0.31 0.56 0.31 0.99 0.70 0.00 0.00 175.22 178.08 1kj2 s THR 63 N -1.30 -0.37 -0.12 0.64 2.01 -0.91 -1.79 115.64 113.81 1kj2 s THR 63 Ca 0.26 0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.34 1kj2 s THR 63 Cb -0.12 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1kj2 s THR 63 CO 0.18 0.09 0.32 -0.63 -0.69 0.00 0.00 174.62 173.89 1kj2 s ILE 64 N 2.17 5.26 -0.19 1.82 1.01 0.16 -1.14 121.20 130.30 1kj2 s ILE 64 Ca -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 1kj2 s ILE 64 Cb -0.11 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1kj2 s ILE 64 CO -0.10 0.45 -0.08 -0.36 0.00 0.00 0.00 174.94 174.85 1kj2 s PHE 65 N -0.01 2.91 -0.09 3.97 0.08 0.01 -1.81 117.98 123.04 1kj2 s PHE 65 Ca 0.19 -0.89 0.05 0.00 0.12 0.00 0.00 56.93 56.40 1kj2 s PHE 65 Cb -0.14 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1kj2 s PHE 65 CO 0.06 -0.45 -0.24 0.12 -0.10 0.00 0.00 175.22 174.61 1kj2 s PHE 66 N 1.09 2.53 -0.55 0.36 5.36 -0.42 -1.10 117.98 125.25 1kj2 s PHE 66 Ca 0.01 -0.96 0.04 0.00 -0.96 0.00 0.00 56.93 55.05 1kj2 s PHE 66 Cb -0.15 -1.68 0.15 0.00 -0.34 0.00 0.00 43.02 41.01 1kj2 s PHE 66 CO -0.01 -0.37 0.36 1.21 -1.46 0.00 0.00 175.22 174.95 1kj2 s ASN 67 N 0.21 3.90 0.53 6.13 3.84 -0.07 -4.67 114.94 124.81 1kj2 s ASN 67 Ca -0.15 -3.24 0.26 0.00 0.21 0.00 0.00 52.86 49.94 1kj2 s ASN 67 Cb -0.17 -1.29 1.41 0.00 -0.55 0.00 0.00 41.25 40.65 1kj2 s ASN 67 CO 0.08 -0.17 1.99 0.50 -2.79 0.00 0.00 177.10 176.70 1kj2 h LYS 68 N 6.01 0.00 0.20 0.43 1.63 -1.92 -0.16 116.57 122.75 1kj2 h LYS 68 Ca 0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1kj2 h LYS 68 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1kj2 h LYS 68 CO 0.60 0.00 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.41 1kj2 h ARG 69 N 0.00 -0.25 -0.06 1.90 2.43 -1.95 -3.20 114.38 113.25 1kj2 h ARG 69 Ca 0.26 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1kj2 h ARG 69 Cb 1.07 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1kj2 h ARG 69 CO -0.00 0.02 0.00 0.39 -1.51 0.00 0.00 179.97 178.87 1kj2 n GLU 70 N -5.09 1.61 -3.50 0.20 1.02 -0.82 -4.96 120.64 109.10 1kj2 n GLU 70 Ca -0.09 -0.90 -0.21 0.00 -0.02 0.00 0.00 57.16 55.94 1kj2 n GLU 70 Cb 0.21 -1.45 0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1kj2 n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kj2 n LYS 71 N 0.10 -3.17 -3.75 3.49 5.02 -0.13 -4.91 118.16 114.80 1kj2 n LYS 71 Ca 0.18 0.70 -0.13 0.00 -2.02 0.00 0.00 58.31 57.04 1kj2 n LYS 71 Cb 0.32 -5.22 -0.11 0.00 -0.02 0.00 0.00 35.03 29.99 1kj2 n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1kj2 s LYS 72 N -5.33 0.36 0.28 1.97 1.02 -1.09 -2.64 119.74 114.32 1kj2 s LYS 72 Ca 0.29 0.50 0.02 0.00 0.02 0.00 0.00 55.97 56.81 1kj2 s LYS 72 Cb -0.07 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 1kj2 s LYS 72 CO 0.79 -0.07 0.09 -0.51 -0.92 0.00 0.00 175.35 174.73 1kj2 s LEU 73 N 0.46 1.78 0.01 3.17 1.02 -0.41 -0.89 118.68 123.81 1kj2 s LEU 73 Ca -0.02 -1.40 -0.25 0.00 0.02 0.00 0.00 54.13 52.47 1kj2 s LEU 73 Cb -0.04 -0.07 0.06 0.00 0.02 0.00 0.00 46.19 46.16 1kj2 s LEU 73 CO -0.02 -0.72 0.57 -0.94 0.02 0.00 0.00 176.35 175.26 1kj2 s SER 74 N -3.37 -0.51 -0.10 2.29 1.04 -0.26 -1.66 113.70 111.13 1kj2 s SER 74 Ca 0.37 0.37 0.02 0.00 0.48 0.00 0.00 55.95 57.19 1kj2 s SER 74 Cb 0.08 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1kj2 s SER 74 CO 0.14 -0.67 -0.18 -0.22 0.98 0.00 0.00 173.24 173.30 1kj2 s LEU 75 N -1.65 2.47 -0.28 2.42 2.96 0.02 -0.81 118.68 123.81 1kj2 s LEU 75 Ca -0.08 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1kj2 s LEU 75 Cb -0.01 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1kj2 s LEU 75 CO 0.03 0.21 0.02 -1.00 -1.32 0.00 0.00 176.35 174.28 1kj2 s HIS 76 N 0.09 3.14 -1.07 5.38 3.76 -0.29 -1.22 115.29 125.08 1kj2 s HIS 76 Ca -0.08 -1.34 -0.13 0.00 -0.15 0.00 0.00 55.06 53.36 1kj2 s HIS 76 Cb -0.15 -2.16 0.22 0.00 1.11 0.00 0.00 32.58 31.59 1kj2 s HIS 76 CO 0.05 -0.67 1.15 0.42 -0.85 0.00 0.00 174.74 174.84 1kj2 s ILE 77 N 1.40 5.49 0.19 0.60 1.01 -0.31 -2.14 121.20 127.43 1kj2 s ILE 77 Ca 0.00 -2.80 -0.30 0.00 0.00 0.00 0.00 60.65 57.55 1kj2 s ILE 77 Cb -0.17 -4.70 -0.08 0.00 0.01 0.00 0.00 42.46 37.52 1kj2 s ILE 77 CO -0.01 -1.33 1.12 0.28 0.00 0.00 0.00 174.94 175.01 1kj2 s THR 78 N 0.32 3.75 -0.71 2.92 -1.32 -0.48 -1.37 115.64 118.74 1kj2 s THR 78 Ca 0.32 1.53 -0.00 0.00 -1.21 0.00 0.00 61.69 62.33 1kj2 s THR 78 Cb -0.07 -3.98 -0.01 0.00 -1.51 0.00 0.00 72.50 66.94 1kj2 s THR 78 CO -0.06 0.28 0.67 -0.67 -2.21 0.00 0.00 174.62 172.62 1kj2 n ASP 79 N 2.22 -7.30 -3.00 8.08 2.03 -1.09 -4.77 116.55 112.71 1kj2 n ASP 79 Ca 0.02 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1kj2 n ASP 79 Cb 0.46 -5.00 0.00 0.00 -0.72 0.00 0.00 41.12 35.86 1kj2 n ASP 79 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1kj2 n SER 80 N -1.83 -1.52 -3.63 1.67 7.64 0.49 -4.58 113.62 111.86 1kj2 n SER 80 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 1kj2 n SER 80 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1kj2 n SER 80 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1kj2 s GLN 81 N -2.28 0.14 -0.66 1.43 -0.21 -1.26 -3.04 119.66 113.79 1kj2 s GLN 81 Ca 0.00 -0.03 -0.27 0.00 0.02 0.00 0.00 55.36 55.08 1kj2 s GLN 81 Cb 0.00 0.07 0.02 0.00 1.00 0.00 0.00 33.01 34.09 1kj2 s GLN 81 CO 0.00 -0.06 1.43 -1.25 -2.12 0.00 0.00 175.29 173.29 1kj2 s PRO 82 N -1.88 3.12 0.00 2.91 0.04 -1.26 -1.78 135.00 136.15 1kj2 s PRO 82 Ca 0.10 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1kj2 s PRO 82 Cb -0.01 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1kj2 s PRO 82 CO -0.04 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1kj2 n GLY 83 N 5.40 4.06 0.00 0.56 0.00 -1.26 -4.87 105.19 109.08 1kj2 n GLY 83 Ca 0.09 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.54 1kj2 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kj2 n ASP 84 N 0.00 0.00 -4.66 1.61 8.00 -0.73 -4.62 116.55 116.15 1kj2 n ASP 84 Ca 0.00 0.42 -0.42 0.00 0.71 0.00 0.00 54.79 55.50 1kj2 n ASP 84 Cb 0.00 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 1kj2 n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1kj2 s SER 85 N -2.91 6.77 0.00 -2.24 0.01 -1.24 -4.89 113.70 109.20 1kj2 s SER 85 Ca 0.06 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1kj2 s SER 85 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1kj2 s SER 85 CO 0.18 -0.86 0.00 0.00 0.41 0.00 0.00 173.24 172.97 1kj2 n ALA 86 N 6.87 0.00 -2.73 1.44 0.00 -0.19 -4.94 120.51 120.96 1kj2 n ALA 86 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 1kj2 n ALA 86 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1kj2 n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kj2 s THR 87 N -2.55 5.33 -0.22 0.00 2.01 -0.14 0.28 115.64 120.35 1kj2 s THR 87 Ca 0.00 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1kj2 s THR 87 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1kj2 s THR 87 CO 0.00 0.53 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.06 1kj2 s TYR 88 N -0.51 2.96 0.04 4.92 2.02 0.42 -0.49 117.35 126.71 1kj2 s TYR 88 Ca 0.17 -1.42 -0.00 0.00 -0.37 0.00 0.00 57.07 55.44 1kj2 s TYR 88 Cb -0.13 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1kj2 s TYR 88 CO 0.05 -0.70 0.17 -0.06 -1.57 0.00 0.00 175.55 173.44 1kj2 s PHE 89 N 1.35 3.45 -0.21 2.71 0.40 -0.39 -1.89 117.98 123.40 1kj2 s PHE 89 Ca 0.03 0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 1kj2 s PHE 89 Cb -0.15 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.65 1kj2 s PHE 89 CO -0.06 0.59 -0.15 0.00 0.70 0.00 0.00 175.22 176.29 1kj2 s ALA 91 N 1.27 3.18 0.12 0.00 0.00 -0.38 0.64 121.76 126.58 1kj2 s ALA 91 Ca 0.01 -2.01 -0.17 0.00 0.00 0.00 0.00 51.96 49.79 1kj2 s ALA 91 Cb -0.15 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1kj2 s ALA 91 CO -0.10 0.05 0.43 0.00 0.00 0.00 0.00 175.76 176.14 1kj2 s ALA 92 N -2.55 -1.03 0.22 0.00 0.00 0.42 -2.81 121.76 115.99 1kj2 s ALA 92 Ca 0.35 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 1kj2 s ALA 92 Cb 0.01 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1kj2 s ALA 92 CO 0.19 -0.63 0.60 -0.98 0.00 0.00 0.00 175.76 174.93 1kj2 s ARG 93 N -3.59 1.49 0.09 0.00 1.70 -0.71 -0.66 118.95 117.27 1kj2 s ARG 93 Ca 0.01 -0.84 0.09 0.00 -0.47 0.00 0.00 55.73 54.53 1kj2 s ARG 93 Cb 0.01 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.92 1kj2 s ARG 93 CO -0.11 -0.65 -0.23 1.52 -1.08 0.00 0.00 175.30 174.75 1kj2 s TYR 94 N -3.87 2.00 -0.10 5.89 -0.85 -1.26 -0.60 117.35 118.56 1kj2 s TYR 94 Ca 0.09 -0.40 -0.39 0.00 -0.52 0.00 0.00 57.07 55.85 1kj2 s TYR 94 Cb -0.02 -1.13 -0.17 0.00 0.38 0.00 0.00 41.96 41.02 1kj2 s TYR 94 CO -0.02 0.21 1.49 0.94 -1.52 0.00 0.00 175.55 176.65 1kj2 n GLN 95 N 1.30 0.99 -0.39 -3.49 0.00 -1.26 -0.30 117.38 114.22 1kj2 n GLN 95 Ca -0.18 0.36 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1kj2 n GLN 95 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.77 1kj2 n GLN 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kj2 n GLY 96 N 3.19 1.60 3.77 1.69 0.00 -1.26 -5.02 105.19 109.16 1kj2 n GLY 96 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1kj2 n GLY 96 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kj2 s GLY 97 N -1.89 2.95 0.12 -0.02 0.00 0.59 -4.98 107.32 104.10 1kj2 s GLY 97 Ca 0.00 0.71 0.07 0.00 0.00 0.00 0.00 44.72 45.50 1kj2 s GLY 97 CO 0.00 1.24 1.27 3.21 0.00 0.00 0.00 173.10 178.82 1kj2 h ARG 101 N 3.47 0.00 -6.19 2.90 2.47 -1.95 -3.47 114.38 111.61 1kj2 h ARG 101 Ca -0.47 -0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.73 1kj2 h ARG 101 Cb 1.21 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.48 1kj2 h ARG 101 CO 0.66 0.99 -0.53 0.00 0.56 0.00 0.00 179.97 181.65 1kj2 s ALA 103 N -2.71 3.63 -0.28 0.04 0.00 -1.26 -5.09 121.76 116.08 1kj2 s ALA 103 Ca 0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.59 1kj2 s ALA 103 Cb 0.10 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1kj2 s ALA 103 CO 0.82 0.33 0.03 -1.17 0.00 0.00 0.00 175.76 175.77 1kj2 s LEU 104 N -3.63 3.68 -0.10 0.00 2.96 -1.26 -4.72 118.68 115.61 1kj2 s LEU 104 Ca 0.32 -0.87 -0.25 0.00 -0.22 0.00 0.00 54.13 53.12 1kj2 s LEU 104 Cb -0.09 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1kj2 s LEU 104 CO 0.25 -0.19 0.77 -0.63 -1.32 0.00 0.00 176.35 175.23 1kj2 s ILE 105 N 1.40 4.97 -0.09 6.68 1.09 0.17 -4.90 121.20 130.52 1kj2 s ILE 105 Ca 0.00 1.55 -0.03 0.00 -1.10 0.00 0.00 60.65 61.07 1kj2 s ILE 105 Cb -0.18 -4.09 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 1kj2 s ILE 105 CO -0.00 0.16 0.04 -0.36 -0.10 0.00 0.00 174.94 174.68 1kj2 s PHE 106 N 1.32 3.29 0.93 3.97 0.40 -1.26 -0.44 117.98 126.18 1kj2 s PHE 106 Ca 0.39 0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.89 1kj2 s PHE 106 Cb -0.18 -1.83 0.15 0.00 0.51 0.00 0.00 43.02 41.67 1kj2 s PHE 106 CO 0.17 0.55 1.11 0.20 0.70 0.00 0.00 175.22 177.95 1kj2 s GLY 107 N -0.93 1.58 0.00 4.36 0.00 0.21 -4.69 107.32 107.84 1kj2 s GLY 107 Ca 0.14 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1kj2 s GLY 107 CO 0.03 0.18 0.86 -1.30 0.00 0.00 0.00 173.10 172.87 1kj2 n THR 108 N -3.89 0.00 -0.09 0.90 -2.24 -1.26 -4.66 114.28 103.04 1kj2 n THR 108 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1kj2 n THR 108 Cb 0.58 -0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1kj2 n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kj2 n GLY 109 N 0.17 -2.78 2.71 3.38 0.00 -1.26 -5.00 105.19 102.41 1kj2 n GLY 109 Ca 0.04 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 1kj2 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kj2 s THR 110 N -3.65 -0.26 -0.02 2.61 2.01 -0.79 -4.59 115.64 110.94 1kj2 s THR 110 Ca 0.00 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 1kj2 s THR 110 Cb 0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 1kj2 s THR 110 CO 0.00 -0.22 0.88 -0.89 -0.69 0.00 0.00 174.62 173.70 1kj2 s THR 111 N 2.28 4.92 -0.10 -0.82 2.01 -0.28 -0.43 115.64 123.21 1kj2 s THR 111 Ca 0.06 1.84 0.04 0.00 0.31 0.00 0.00 61.69 63.93 1kj2 s THR 111 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.14 1kj2 s THR 111 CO -0.11 0.20 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.09 1kj2 s VAL 112 N 0.88 2.04 -0.17 3.82 1.01 0.14 -1.84 120.40 126.28 1kj2 s VAL 112 Ca 0.47 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1kj2 s VAL 112 Cb -0.20 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1kj2 s VAL 112 CO 0.25 0.56 -0.15 -0.55 0.00 0.00 0.00 175.10 175.20 1kj2 s SER 113 N 0.38 3.03 -0.47 3.32 0.15 0.11 -1.03 113.70 119.18 1kj2 s SER 113 Ca -0.18 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 55.73 1kj2 s SER 113 Cb -0.18 -1.30 0.12 0.00 -1.71 0.00 0.00 66.02 62.95 1kj2 s SER 113 CO 0.08 -0.06 0.34 -0.69 1.20 0.00 0.00 173.24 174.12 1kj2 s VAL 114 N 1.39 4.16 -0.17 4.45 1.01 -1.26 -1.71 120.40 128.28 1kj2 s VAL 114 Ca 0.03 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.01 1kj2 s VAL 114 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1kj2 s VAL 114 CO -0.11 -0.78 0.44 -0.55 0.00 0.00 0.00 175.10 174.11 1kj2 s SER 115 N 2.59 6.56 0.00 3.32 0.15 -0.88 -4.25 113.70 121.19 1kj2 s SER 115 Ca 0.06 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.41 1kj2 s SER 115 Cb -0.26 -2.26 0.19 0.00 -1.71 0.00 0.00 66.02 61.98 1kj2 s SER 115 CO -0.01 -0.05 0.68 -2.65 1.20 0.00 0.00 173.24 172.40