#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipk s ASP 2 N 0.00 5.73 0.00 1.61 -1.08 -1.26 -4.89 116.67 116.79 2ipk s ASP 2 Ca 0.00 -1.56 0.07 0.00 -0.52 0.00 0.00 52.55 50.54 2ipk s ASP 2 Cb 0.00 -2.02 0.12 0.00 -1.46 0.00 0.00 42.92 39.56 2ipk s ASP 2 CO 0.00 -0.59 0.94 0.35 0.52 0.00 0.00 175.17 176.39 2ipk n THR 3 N 4.96 0.49 -1.67 1.71 -2.24 -1.26 -5.04 114.28 111.24 2ipk n THR 3 Ca -0.10 -0.75 -0.40 0.00 -2.27 0.00 0.00 64.05 60.54 2ipk n THR 3 Cb 0.43 0.83 0.03 0.00 -2.10 0.00 0.00 70.33 69.51 2ipk n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ipk n ARG 4 N 0.27 1.49 -2.32 -0.78 1.74 -1.26 -4.93 116.66 110.86 2ipk n ARG 4 Ca 0.06 0.54 -0.37 0.00 -0.77 0.00 0.00 57.85 57.31 2ipk n ARG 4 Cb 0.27 -2.31 -0.02 0.00 -1.02 0.00 0.00 32.46 29.38 2ipk n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2ipk s PRO 5 N -2.48 3.81 0.16 5.56 0.04 -1.26 -5.04 135.00 135.79 2ipk s PRO 5 Ca 0.68 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2ipk s PRO 5 Cb -0.47 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2ipk s PRO 5 CO 0.53 -0.49 0.12 1.03 0.04 0.00 0.00 177.00 178.23 2ipk s ARG 6 N -2.72 2.84 -0.06 4.56 1.81 -1.26 -5.12 118.95 119.01 2ipk s ARG 6 Ca 0.63 -0.89 -0.00 0.00 -1.72 0.00 0.00 55.73 53.76 2ipk s ARG 6 Cb -0.26 -2.62 0.03 0.00 -0.45 0.00 0.00 34.95 31.64 2ipk s ARG 6 CO 0.32 0.49 -0.02 -0.06 -0.68 0.00 0.00 175.30 175.35 2ipk s PHE 7 N -1.72 0.68 -0.02 -0.53 0.08 -1.26 -5.08 117.98 110.13 2ipk s PHE 7 Ca 0.30 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.25 2ipk s PHE 7 Cb -0.10 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 2ipk s PHE 7 CO 0.23 -0.25 -0.24 -1.17 -0.10 0.00 0.00 175.22 173.69 2ipk s LEU 8 N 1.40 2.04 -0.06 -0.37 2.96 -1.26 -4.99 118.68 118.40 2ipk s LEU 8 Ca -0.04 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2ipk s LEU 8 Cb -0.13 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.34 2ipk s LEU 8 CO -0.03 0.28 -0.09 0.86 -1.32 0.00 0.00 176.35 176.06 2ipk s TRP 9 N -0.50 1.17 0.05 5.38 -0.11 -1.26 0.54 118.94 124.20 2ipk s TRP 9 Ca 0.07 -0.42 0.06 0.00 1.22 0.00 0.00 56.10 57.04 2ipk s TRP 9 Cb -0.10 -0.92 -0.02 0.00 -1.50 0.00 0.00 33.47 30.93 2ipk s TRP 9 CO -0.00 -0.26 -0.16 -0.65 -4.62 0.00 0.00 176.95 171.25 2ipk s GLN 10 N 0.86 1.07 -0.06 5.86 -0.21 -0.15 -5.00 119.66 122.03 2ipk s GLN 10 Ca -0.12 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.43 2ipk s GLN 10 Cb -0.15 -1.13 0.02 0.00 1.00 0.00 0.00 33.01 32.75 2ipk s GLN 10 CO 0.01 0.28 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.22 2ipk s LEU 11 N -1.23 1.39 -0.05 2.90 2.96 -1.26 -0.79 118.68 122.60 2ipk s LEU 11 Ca 0.03 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2ipk s LEU 11 Cb -0.08 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 46.01 2ipk s LEU 11 CO 0.02 -0.04 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.38 2ipk s LYS 12 N 0.95 1.24 -0.27 1.98 1.02 -0.04 -4.99 119.74 119.62 2ipk s LYS 12 Ca -0.10 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2ipk s LYS 12 Cb -0.15 -1.10 0.04 0.00 -0.52 0.00 0.00 37.83 36.11 2ipk s LYS 12 CO 0.00 0.03 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.37 2ipk s PHE 13 N 0.56 3.19 -0.20 3.18 0.40 -1.26 -0.03 117.98 123.82 2ipk s PHE 13 Ca -0.10 -1.83 -0.04 0.00 -0.60 0.00 0.00 56.93 54.36 2ipk s PHE 13 Cb -0.13 -2.06 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 2ipk s PHE 13 CO 0.02 -0.79 -0.02 -1.21 0.70 0.00 0.00 175.22 173.92 2ipk s GLU 14 N 1.26 3.56 -0.30 0.44 2.02 0.65 -4.96 118.70 121.37 2ipk s GLU 14 Ca -0.04 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 2ipk s GLU 14 Cb -0.19 -3.04 -0.00 0.00 0.10 0.00 0.00 34.13 31.00 2ipk s GLU 14 CO -0.03 -0.01 0.12 0.00 0.02 0.00 0.00 175.26 175.36 2ipk s HIS 16 N 1.58 3.20 -0.17 0.00 3.76 0.37 -4.97 115.29 119.06 2ipk s HIS 16 Ca 0.04 -0.04 -0.03 0.00 -0.15 0.00 0.00 55.06 54.88 2ipk s HIS 16 Cb -0.17 -2.27 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 2ipk s HIS 16 CO 0.05 -0.13 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.71 2ipk s PHE 17 N 1.36 2.99 -0.13 1.40 0.08 -1.26 -1.30 117.98 121.12 2ipk s PHE 17 Ca 0.06 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.70 2ipk s PHE 17 Cb -0.15 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2ipk s PHE 17 CO 0.06 -0.15 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.75 2ipk s PHE 18 N 0.60 2.60 -1.27 0.36 0.40 -0.25 -4.64 117.98 115.78 2ipk s PHE 18 Ca -0.03 -1.27 -0.01 0.00 -0.60 0.00 0.00 56.93 55.02 2ipk s PHE 18 Cb -0.14 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 2ipk s PHE 18 CO 0.03 -0.57 0.77 -1.71 0.70 0.00 0.00 175.22 174.44 2ipk n ASN 19 N 3.98 -1.69 0.00 1.36 2.85 -1.26 -2.10 115.26 118.40 2ipk n ASN 19 Ca -0.20 -0.78 0.00 0.00 -0.11 0.00 0.00 54.58 53.49 2ipk n ASN 19 Cb 0.52 -4.30 0.00 0.00 1.24 0.00 0.00 39.78 37.24 2ipk n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ipk n GLY 20 N -1.47 2.33 0.00 8.20 0.00 -1.26 -2.11 105.19 110.87 2ipk n GLY 20 Ca -0.28 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 45.50 2ipk n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ipk n THR 21 N 0.00 0.01 0.12 2.61 -1.04 -1.26 -4.25 114.28 110.47 2ipk n THR 21 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2ipk n THR 21 Cb 0.00 -0.51 -0.09 0.00 -1.82 0.00 0.00 70.33 67.92 2ipk n THR 21 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2ipk h GLU 22 N 0.00 -0.69 -5.24 -2.82 4.81 -1.47 -3.40 114.58 105.76 2ipk h GLU 22 Ca 0.00 0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.63 2ipk h GLU 22 Cb 0.14 0.16 -0.33 0.00 0.63 0.00 0.00 28.75 29.35 2ipk h GLU 22 CO 0.00 -0.46 -0.87 0.50 -0.73 0.00 0.00 179.01 177.45 2ipk s ARG 23 N -5.85 2.73 -0.02 1.92 3.52 -0.89 -5.03 118.95 115.33 2ipk s ARG 23 Ca -0.16 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.68 2ipk s ARG 23 Cb 0.07 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2ipk s ARG 23 CO 0.62 0.17 -0.10 0.08 -0.81 0.00 0.00 175.30 175.25 2ipk s VAL 24 N 0.36 0.87 -0.08 7.11 1.01 -1.26 -1.09 120.40 127.31 2ipk s VAL 24 Ca -0.17 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2ipk s VAL 24 Cb -0.17 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.47 2ipk s VAL 24 CO 0.07 0.26 -0.12 -0.60 0.00 0.00 0.00 175.10 174.72 2ipk s ARG 25 N -0.00 1.76 -0.17 2.72 3.52 -0.42 -4.98 118.95 121.37 2ipk s ARG 25 Ca -0.00 -0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 55.12 2ipk s ARG 25 Cb -0.07 -1.54 -0.04 0.00 -1.56 0.00 0.00 34.95 31.74 2ipk s ARG 25 CO 0.00 -0.06 0.09 -1.17 -0.81 0.00 0.00 175.30 173.35 2ipk s LEU 26 N 0.96 3.98 -0.21 -0.88 2.96 -1.26 -0.48 118.68 123.75 2ipk s LEU 26 Ca -0.09 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2ipk s LEU 26 Cb -0.15 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.60 2ipk s LEU 26 CO -0.00 0.22 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.01 2ipk s LEU 27 N 0.10 1.99 -0.26 -0.68 2.96 0.52 -0.93 118.68 122.38 2ipk s LEU 27 Ca 0.07 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 52.87 2ipk s LEU 27 Cb -0.12 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2ipk s LEU 27 CO 0.00 -0.25 0.17 -0.70 -1.32 0.00 0.00 176.35 174.25 2ipk s GLU 28 N 1.58 3.98 -0.03 1.98 2.12 0.60 -0.25 118.70 128.67 2ipk s GLU 28 Ca -0.03 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.02 2ipk s GLU 28 Cb -0.18 -3.59 -0.00 0.00 0.26 0.00 0.00 34.13 30.62 2ipk s GLU 28 CO -0.07 -0.08 -0.14 1.03 -0.54 0.00 0.00 175.26 175.47 2ipk s ARG 29 N 1.44 1.41 -0.16 4.30 0.52 0.95 -0.37 118.95 127.04 2ipk s ARG 29 Ca 0.07 -0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2ipk s ARG 29 Cb -0.15 -1.27 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 2ipk s ARG 29 CO 0.08 0.21 -0.06 0.00 0.02 0.00 0.00 175.30 175.55 2ipk s ILE 31 N 0.62 1.48 -0.22 0.00 1.09 0.03 -1.20 121.20 123.00 2ipk s ILE 31 Ca -0.04 -0.63 -0.08 0.00 -1.10 0.00 0.00 60.65 58.79 2ipk s ILE 31 Cb -0.15 -1.35 -0.04 0.00 -1.06 0.00 0.00 42.46 39.86 2ipk s ILE 31 CO 0.03 0.44 0.10 -0.47 -0.10 0.00 0.00 174.94 174.93 2ipk s TYR 32 N 0.96 3.23 0.00 3.97 5.04 -0.24 -0.98 117.35 129.33 2ipk s TYR 32 Ca -0.07 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 2ipk s TYR 32 Cb -0.15 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 39.98 2ipk s TYR 32 CO -0.01 0.01 0.00 0.09 -1.34 0.00 0.00 175.55 174.29 2ipk n ASN 33 N 4.11 0.00 -0.03 4.32 3.02 0.19 -0.31 115.26 126.55 2ipk n ASN 33 Ca -0.16 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.41 2ipk n ASN 33 Cb 0.52 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 2ipk n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2ipk n GLN 34 N 0.00 2.32 -4.67 3.52 7.27 -1.26 -4.89 117.38 119.68 2ipk n GLN 34 Ca 0.00 -1.68 -0.33 0.00 0.07 0.00 0.00 57.00 55.07 2ipk n GLN 34 Cb 0.00 -1.07 -0.16 0.00 2.41 0.00 0.00 30.24 31.42 2ipk n GLN 34 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2ipk s GLU 35 N -1.35 3.12 0.03 3.69 2.02 0.57 -5.08 118.70 121.69 2ipk s GLU 35 Ca 0.08 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 2ipk s GLU 35 Cb 0.07 -2.51 -0.06 0.00 0.10 0.00 0.00 34.13 31.72 2ipk s GLU 35 CO 0.01 0.03 1.46 -2.00 0.02 0.00 0.00 175.26 174.77 2ipk s GLU 36 N 0.75 4.27 -0.13 1.61 2.12 -1.26 -1.08 118.70 124.98 2ipk s GLU 36 Ca -0.08 2.06 0.13 0.00 0.36 0.00 0.00 54.97 57.45 2ipk s GLU 36 Cb -0.16 -3.54 -0.18 0.00 0.26 0.00 0.00 34.13 30.51 2ipk s GLU 36 CO 0.00 -0.59 0.08 -1.13 -0.54 0.00 0.00 175.26 173.08 2ipk n SER 37 N 5.24 1.47 -3.63 -1.70 3.41 -0.34 -4.17 113.62 113.91 2ipk n SER 37 Ca 0.14 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 2ipk n SER 37 Cb 0.43 0.96 -0.07 0.00 -0.26 0.00 0.00 64.21 65.26 2ipk n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ipk s VAL 38 N -2.43 0.02 0.07 -3.33 0.11 -1.24 0.22 120.40 113.82 2ipk s VAL 38 Ca -0.07 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.67 2ipk s VAL 38 Cb 0.05 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2ipk s VAL 38 CO 0.59 -0.10 0.30 0.00 -3.33 0.00 0.00 175.10 172.56 2ipk s ARG 39 N -1.11 0.87 -0.20 1.54 1.70 -0.63 -1.50 118.95 119.61 2ipk s ARG 39 Ca -0.11 -0.64 0.01 0.00 -0.47 0.00 0.00 55.73 54.52 2ipk s ARG 39 Cb -0.02 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2ipk s ARG 39 CO 0.07 -0.29 -0.17 0.12 -1.08 0.00 0.00 175.30 173.95 2ipk s PHE 40 N -3.09 2.84 -0.24 5.89 2.19 0.50 -1.11 117.98 124.97 2ipk s PHE 40 Ca -0.01 -1.80 -0.06 0.00 0.33 0.00 0.00 56.93 55.39 2ipk s PHE 40 Cb 0.01 -1.88 -0.02 0.00 -1.31 0.00 0.00 43.02 39.82 2ipk s PHE 40 CO -0.07 -0.81 0.02 0.34 1.83 0.00 0.00 175.22 176.53 2ipk s ASP 41 N 1.26 4.77 0.63 6.13 -1.08 -1.26 -0.29 116.67 126.83 2ipk s ASP 41 Ca 0.01 -0.29 0.42 0.00 -0.52 0.00 0.00 52.55 52.17 2ipk s ASP 41 Cb -0.15 -1.84 2.25 0.00 -1.46 0.00 0.00 42.92 41.72 2ipk s ASP 41 CO -0.10 -0.03 2.29 0.77 0.52 0.00 0.00 175.17 178.62 2ipk h SER 42 N 8.18 0.00 1.38 -0.34 4.64 -1.41 0.17 113.55 126.17 2ipk h SER 42 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2ipk h SER 42 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2ipk h SER 42 CO 0.59 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.99 2ipk h ASP 43 N 0.00 0.00 0.00 4.97 3.32 -1.94 -3.24 116.42 119.53 2ipk h ASP 43 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2ipk h ASP 43 Cb 0.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 2ipk h ASP 43 CO 0.00 0.00 -2.34 0.52 -1.72 0.00 0.00 179.24 175.70 2ipk n VAL 44 N -2.64 1.35 -0.37 -1.35 0.31 0.40 -5.02 118.33 111.00 2ipk n VAL 44 Ca 0.03 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2ipk n VAL 44 Cb 0.39 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2ipk n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ipk n GLY 45 N 2.31 0.69 3.54 2.92 0.00 0.02 -5.04 105.19 109.63 2ipk n GLY 45 Ca -0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2ipk n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ipk s GLU 46 N -0.63 1.40 0.42 1.61 -1.05 -1.26 -4.95 118.70 114.24 2ipk s GLU 46 Ca 0.00 -0.83 -0.24 0.00 -0.15 0.00 0.00 54.97 53.75 2ipk s GLU 46 Cb 0.00 0.54 -0.08 0.00 -0.44 0.00 0.00 34.13 34.14 2ipk s GLU 46 CO 0.00 -0.60 1.12 0.71 0.95 0.00 0.00 175.26 177.44 2ipk s TYR 47 N -3.86 3.08 -0.02 4.83 2.02 -1.26 -4.12 117.35 118.02 2ipk s TYR 47 Ca 0.08 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 2ipk s TYR 47 Cb -0.01 -3.29 0.02 0.00 -0.40 0.00 0.00 41.96 38.28 2ipk s TYR 47 CO -0.03 -1.11 0.00 1.03 -1.57 0.00 0.00 175.55 173.87 2ipk s ARG 48 N -2.50 0.15 0.22 -0.62 1.81 -0.26 -4.91 118.95 112.84 2ipk s ARG 48 Ca 0.59 0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 54.36 2ipk s ARG 48 Cb -0.27 -0.29 -0.09 0.00 -0.45 0.00 0.00 34.95 33.86 2ipk s ARG 48 CO 0.33 -0.08 1.15 0.00 -0.68 0.00 0.00 175.30 176.02 2ipk s ALA 49 N 0.64 3.42 -0.13 2.13 0.00 -1.26 -1.61 121.76 124.95 2ipk s ALA 49 Ca -0.06 0.92 0.18 0.00 0.00 0.00 0.00 51.96 53.00 2ipk s ALA 49 Cb -0.09 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.43 2ipk s ALA 49 CO -0.01 -0.28 0.46 0.28 0.00 0.00 0.00 175.76 176.21 2ipk n VAL 50 N 1.93 1.07 -4.12 0.00 0.31 0.13 -4.92 118.33 112.74 2ipk n VAL 50 Ca 0.02 -0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 63.52 2ipk n VAL 50 Cb 0.45 -0.52 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 2ipk n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ipk s THR 51 N -2.85 0.05 0.30 2.52 -4.23 -1.04 -4.95 115.64 105.45 2ipk s THR 51 Ca -0.07 -1.81 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 2ipk s THR 51 Cb 0.09 -2.18 0.30 0.00 1.34 0.00 0.00 72.50 72.05 2ipk s THR 51 CO 0.84 -0.24 1.76 -0.33 -0.54 0.00 0.00 174.62 176.11 2ipk h GLU 52 N 2.67 0.68 -0.12 3.99 3.07 -1.93 -0.25 114.58 122.69 2ipk h GLU 52 Ca -0.34 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.51 2ipk h GLU 52 Cb 1.23 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2ipk h GLU 52 CO 0.53 0.45 0.10 1.25 -1.40 0.00 0.00 179.01 179.93 2ipk h LEU 53 N 0.70 0.00 -0.62 1.33 5.85 -1.96 -2.42 115.31 118.19 2ipk h LEU 53 Ca 0.59 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 2ipk h LEU 53 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2ipk h LEU 53 CO -0.41 0.00 -0.29 0.61 -0.34 0.00 0.00 178.44 178.01 2ipk n GLY 54 N -1.50 -0.45 0.18 3.75 0.00 -0.11 -4.48 105.19 102.58 2ipk n GLY 54 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 2ipk n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ipk h ARG 55 N 1.51 0.25 -1.00 1.61 3.08 -1.45 -1.71 114.38 116.68 2ipk h ARG 55 Ca 0.00 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.12 2ipk h ARG 55 Cb 0.56 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 2ipk h ARG 55 CO 0.00 0.17 0.64 -1.35 -1.07 0.00 0.00 179.97 178.35 2ipk h PRO 56 N 0.26 1.06 -0.20 0.04 0.11 -1.80 -1.61 132.00 129.85 2ipk h PRO 56 Ca 0.21 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 2ipk h PRO 56 Cb 0.25 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2ipk h PRO 56 CO -0.25 0.70 -0.45 -0.44 -0.21 0.00 0.00 178.00 177.35 2ipk h ASP 57 N 1.09 0.75 -0.65 -2.05 3.32 -1.67 -0.57 116.42 116.63 2ipk h ASP 57 Ca 0.46 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2ipk h ASP 57 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2ipk h ASP 57 CO -0.21 1.17 0.42 0.00 -1.72 0.00 0.00 179.24 178.89 2ipk h ALA 58 N 0.60 0.83 0.02 3.45 0.00 -1.06 0.21 119.26 123.30 2ipk h ALA 58 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ipk h ALA 58 Cb 1.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ipk h ALA 58 CO 0.10 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 180.55 2ipk h GLU 59 N 0.89 -0.02 -0.27 0.00 5.08 -1.24 -1.71 114.58 117.31 2ipk h GLU 59 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2ipk h GLU 59 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2ipk h GLU 59 CO -0.05 0.18 0.16 -0.92 -1.00 0.00 0.00 179.01 177.38 2ipk h TYR 60 N -0.21 0.36 -0.24 4.33 3.20 -0.82 -2.85 116.97 120.74 2ipk h TYR 60 Ca -0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2ipk h TYR 60 Cb 0.21 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2ipk h TYR 60 CO -0.01 0.28 -0.32 -1.49 -1.64 0.00 0.00 178.16 174.98 2ipk h TRP 61 N 0.33 0.57 0.00 -3.82 6.55 -0.60 -2.60 115.95 116.37 2ipk h TRP 61 Ca 0.10 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 59.80 2ipk h TRP 61 Cb 0.03 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.20 2ipk h TRP 61 CO -0.04 0.76 0.00 -0.91 -1.05 0.00 0.00 178.44 177.19 2ipk h ASN 62 N 0.42 0.00 -0.02 -3.49 2.35 -1.17 -1.83 115.58 111.85 2ipk h ASN 62 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2ipk h ASN 62 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2ipk h ASN 62 CO 0.06 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.30 2ipk n SER 63 N -2.38 1.12 -4.16 5.81 3.41 -0.98 -4.55 113.62 111.89 2ipk n SER 63 Ca 0.01 -1.40 -0.39 0.00 -0.26 0.00 0.00 58.87 56.84 2ipk n SER 63 Cb 0.22 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 2ipk n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ipk s GLN 64 N -1.98 2.78 0.35 4.33 -0.21 -0.69 -4.95 119.66 119.28 2ipk s GLN 64 Ca 0.40 -2.40 0.05 0.00 0.02 0.00 0.00 55.36 53.42 2ipk s GLN 64 Cb 0.21 -3.91 0.70 0.00 1.00 0.00 0.00 33.01 31.01 2ipk s GLN 64 CO 0.34 -1.20 1.96 0.87 -2.12 0.00 0.00 175.29 175.13 2ipk h LYS 65 N 7.41 0.78 -0.32 2.91 1.79 -1.83 -1.89 116.57 125.41 2ipk h LYS 65 Ca -0.01 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2ipk h LYS 65 Cb 0.99 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 2ipk h LYS 65 CO 0.74 0.52 0.20 -0.44 -1.08 0.00 0.00 179.45 179.38 2ipk h ASP 66 N 0.81 0.39 -0.02 0.86 3.32 -1.95 -0.29 116.42 119.53 2ipk h ASP 66 Ca 0.32 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.35 2ipk h ASP 66 Cb 0.22 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2ipk h ASP 66 CO -0.11 0.32 -0.16 0.25 -1.72 0.00 0.00 179.24 177.82 2ipk h LEU 67 N 0.42 -0.48 -0.99 1.55 5.85 -1.72 -0.49 115.31 119.45 2ipk h LEU 67 Ca 0.12 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2ipk h LEU 67 Cb 0.00 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2ipk h LEU 67 CO -0.02 -0.22 0.59 -0.07 -0.34 0.00 0.00 178.44 178.38 2ipk h LEU 68 N -0.26 1.13 -0.83 2.25 3.38 -1.19 0.19 115.31 119.98 2ipk h LEU 68 Ca 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ipk h LEU 68 Cb 0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2ipk h LEU 68 CO -0.17 0.85 0.37 -0.08 0.09 0.00 0.00 178.44 179.50 2ipk h GLU 69 N 1.31 1.22 -0.03 1.13 4.81 -0.61 0.17 114.58 122.57 2ipk h GLU 69 Ca 0.34 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2ipk h GLU 69 Cb -0.08 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 2ipk h GLU 69 CO -0.07 0.96 -0.00 0.37 -0.73 0.00 0.00 179.01 179.54 2ipk h GLN 70 N 1.20 0.05 -0.71 1.92 -0.00 -0.32 -2.47 115.11 114.77 2ipk h GLN 70 Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.90 2ipk h GLN 70 Cb 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.61 2ipk h GLN 70 CO -0.03 0.37 0.40 0.00 0.00 0.00 0.00 178.83 179.58 2ipk h ARG 71 N -0.27 0.98 0.00 1.69 2.47 -0.37 -1.98 114.38 116.89 2ipk h ARG 71 Ca 0.01 -0.10 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 2ipk h ARG 71 Cb 0.35 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2ipk h ARG 71 CO 0.00 0.71 -0.37 0.00 0.56 0.00 0.00 179.97 180.86 2ipk h ARG 72 N 0.99 0.00 -0.00 0.04 3.08 -0.60 -2.72 114.38 115.17 2ipk h ARG 72 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2ipk h ARG 72 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2ipk h ARG 72 CO -0.04 0.37 -0.29 0.00 -1.07 0.00 0.00 179.97 178.94 2ipk n ALA 73 N -2.42 3.10 0.25 0.04 0.00 -0.81 -4.15 120.51 116.53 2ipk n ALA 73 Ca -0.02 -0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.20 2ipk n ALA 73 Cb 0.43 -1.22 0.61 0.00 0.00 0.00 0.00 19.45 19.26 2ipk n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ipk h ALA 74 N 3.24 1.85 -0.08 0.00 0.00 -1.06 -0.98 119.26 122.23 2ipk h ALA 74 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ipk h ALA 74 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ipk h ALA 74 CO 0.00 0.09 0.11 -0.39 0.00 0.00 0.00 179.25 179.05 2ipk h VAL 75 N 0.00 0.39 0.00 0.00 -1.51 -1.76 0.15 116.25 113.52 2ipk h VAL 75 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2ipk h VAL 75 Cb 0.12 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2ipk h VAL 75 CO 0.01 0.00 -0.88 0.47 -1.23 0.00 0.00 177.57 175.94 2ipk n ASP 76 N -3.65 1.90 0.26 4.19 8.00 -0.45 -1.49 116.55 125.31 2ipk n ASP 76 Ca -0.01 0.42 0.17 0.00 0.71 0.00 0.00 54.79 56.08 2ipk n ASP 76 Cb 0.20 -0.78 0.71 0.00 -0.02 0.00 0.00 41.12 41.23 2ipk n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2ipk h THR 77 N -1.00 0.00 0.00 -3.53 1.35 -1.33 -2.35 112.91 106.06 2ipk h THR 77 Ca -0.01 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2ipk h THR 77 Cb 0.86 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2ipk h THR 77 CO -0.01 0.00 -0.10 0.00 -0.25 0.00 0.00 175.52 175.17 2ipk n TYR 78 N -2.96 0.00 0.48 4.73 9.36 0.36 -4.51 117.16 124.62 2ipk n TYR 78 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.04 2ipk n TYR 78 Cb 0.27 -0.05 -0.09 0.00 -0.63 0.00 0.00 39.34 38.84 2ipk n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2ipk h ARG 80 N -1.22 0.31 0.21 0.00 3.08 -1.26 -1.12 114.38 114.38 2ipk h ARG 80 Ca -0.12 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2ipk h ARG 80 Cb 0.93 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2ipk h ARG 80 CO 0.20 0.32 -0.10 1.25 -1.07 0.00 0.00 179.97 180.57 2ipk h HIS 81 N 0.31 -0.26 0.00 3.04 2.76 -1.28 -2.34 115.15 117.39 2ipk h HIS 81 Ca 0.07 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 2ipk h HIS 81 Cb 0.18 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2ipk h HIS 81 CO 0.00 0.00 -0.24 -0.91 -1.30 0.00 0.00 177.93 175.49 2ipk h ASN 82 N -0.50 0.00 -0.76 3.26 2.35 -0.59 -1.23 115.58 118.11 2ipk h ASN 82 Ca -0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2ipk h ASN 82 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 2ipk h ASN 82 CO 0.05 0.24 0.26 0.22 -1.65 0.00 0.00 177.43 176.54 2ipk h TYR 83 N 0.00 1.21 -0.27 1.19 5.03 -1.12 -2.36 116.97 120.64 2ipk h TYR 83 Ca -0.00 -0.11 -0.11 0.00 2.58 0.00 0.00 58.73 61.08 2ipk h TYR 83 Cb 0.43 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 2ipk h TYR 83 CO 0.00 0.94 -0.31 0.78 -1.32 0.00 0.00 178.16 178.25 2ipk h GLY 84 N 1.13 0.62 1.01 1.82 0.00 -0.69 -1.51 103.07 105.45 2ipk h GLY 84 Ca 0.25 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2ipk h GLY 84 CO -0.01 0.50 0.21 -2.08 0.00 0.00 0.00 176.54 175.16 2ipk h VAL 85 N 0.49 1.24 -0.00 4.60 2.07 -0.95 -3.32 116.25 120.38 2ipk h VAL 85 Ca 0.06 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2ipk h VAL 85 Cb 0.78 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2ipk h VAL 85 CO 0.06 0.31 -0.88 0.61 0.02 0.00 0.00 177.57 177.69 2ipk n GLY 86 N -0.75 -0.77 0.32 2.17 0.00 -0.93 -4.64 105.19 100.61 2ipk n GLY 86 Ca 0.04 -0.57 0.20 0.00 0.00 0.00 0.00 46.02 45.68 2ipk n GLY 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ipk h GLU 87 N 0.29 0.26 0.00 1.61 4.11 -1.38 -0.81 114.58 118.66 2ipk h GLU 87 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2ipk h GLU 87 Cb 0.50 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ipk h GLU 87 CO 0.00 0.17 -0.01 0.66 0.07 0.00 0.00 179.01 179.90 2ipk h SER 88 N 0.26 0.00 0.00 3.06 4.64 -1.84 -0.79 113.55 118.89 2ipk h SER 88 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 2ipk h SER 88 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2ipk h SER 88 CO -0.64 0.01 -0.10 2.22 -0.87 0.00 0.00 176.83 177.44 2ipk n PHE 89 N -3.96 0.00 0.00 4.77 -1.74 -0.39 -4.36 117.46 111.78 2ipk n PHE 89 Ca -0.03 -0.48 0.00 0.00 -0.56 0.00 0.00 57.45 56.38 2ipk n PHE 89 Cb 0.09 -0.08 0.00 0.00 1.52 0.00 0.00 39.48 41.01 2ipk n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2ipk n THR 90 N -0.64 0.00 -0.01 1.97 -2.24 -0.70 -4.46 114.28 108.20 2ipk n THR 90 Ca 0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 2ipk n THR 90 Cb 0.52 -0.57 0.40 0.00 -2.10 0.00 0.00 70.33 68.58 2ipk n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2ipk h VAL 91 N 0.00 1.12 -0.40 2.28 2.07 -1.69 -2.74 116.25 116.90 2ipk h VAL 91 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2ipk h VAL 91 Cb 0.00 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2ipk h VAL 91 CO 0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2ipk n GLN 92 N -4.44 3.38 -2.51 1.57 6.02 -0.32 -4.98 117.38 116.10 2ipk n GLN 92 Ca 0.03 -2.76 -0.42 0.00 -0.01 0.00 0.00 57.00 53.84 2ipk n GLN 92 Cb 0.08 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.49 2ipk n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2ipk s ARG 93 N -2.31 4.51 -0.06 -1.09 3.52 -1.04 -4.83 118.95 117.67 2ipk s ARG 93 Ca 0.42 1.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 2ipk s ARG 93 Cb 0.31 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 2ipk s ARG 93 CO 0.14 -0.10 -0.04 1.03 -0.81 0.00 0.00 175.30 175.52 2ipk s ARG 94 N 0.57 0.83 -0.08 5.12 1.81 -1.26 -3.81 118.95 122.13 2ipk s ARG 94 Ca 0.54 -0.06 -0.02 0.00 -1.72 0.00 0.00 55.73 54.47 2ipk s ARG 94 Cb -0.28 -0.93 0.04 0.00 -0.45 0.00 0.00 34.95 33.32 2ipk s ARG 94 CO 0.31 -0.15 0.05 0.08 -0.68 0.00 0.00 175.30 174.90 2ipk s VAL 95 N 1.24 0.07 0.35 3.52 1.01 0.03 -4.96 120.40 121.66 2ipk s VAL 95 Ca -0.06 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2ipk s VAL 95 Cb -0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2ipk s VAL 95 CO -0.02 0.11 1.26 -0.70 0.00 0.00 0.00 175.10 175.75 2ipk s GLU 96 N 2.09 4.27 0.39 2.72 2.12 -1.26 -1.87 118.70 127.16 2ipk s GLU 96 Ca 0.04 2.09 -0.23 0.00 0.36 0.00 0.00 54.97 57.23 2ipk s GLU 96 Cb -0.13 -2.96 -0.10 0.00 0.26 0.00 0.00 34.13 31.20 2ipk s GLU 96 CO -0.05 -0.22 0.99 -1.25 -0.54 0.00 0.00 175.26 174.19 2ipk s PRO 97 N -1.92 4.27 -0.15 4.30 0.04 -1.26 -4.49 135.00 135.79 2ipk s PRO 97 Ca 0.51 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 2ipk s PRO 97 Cb -0.37 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2ipk s PRO 97 CO 0.48 -0.01 0.42 0.15 0.04 0.00 0.00 177.00 178.09 2ipk s LYS 98 N -2.64 4.28 -0.08 4.56 1.02 0.01 -4.89 119.74 122.01 2ipk s LYS 98 Ca 0.58 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.93 2ipk s LYS 98 Cb -0.17 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2ipk s LYS 98 CO 0.21 0.11 -0.24 0.08 -0.92 0.00 0.00 175.35 174.60 2ipk s VAL 99 N 0.80 1.99 -0.01 3.17 1.01 -1.26 -1.50 120.40 124.60 2ipk s VAL 99 Ca 0.22 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2ipk s VAL 99 Cb -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2ipk s VAL 99 CO 0.08 0.55 0.14 0.42 0.00 0.00 0.00 175.10 176.29 2ipk s THR 100 N 0.12 0.07 -0.10 3.92 -4.23 -0.82 -5.01 115.64 109.58 2ipk s THR 100 Ca -0.11 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 2ipk s THR 100 Cb -0.16 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2ipk s THR 100 CO 0.06 -0.30 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.92 2ipk s VAL 101 N -1.08 1.96 0.10 2.29 1.01 -1.26 -1.27 120.40 122.15 2ipk s VAL 101 Ca -0.12 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 2ipk s VAL 101 Cb -0.06 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.67 2ipk s VAL 101 CO 0.01 0.54 0.52 -0.72 0.00 0.00 0.00 175.10 175.45 2ipk s TYR 102 N 0.38 -0.41 0.42 5.22 1.13 -0.98 -5.01 117.35 118.10 2ipk s TYR 102 Ca -0.19 0.29 -0.24 0.00 -1.41 0.00 0.00 57.07 55.52 2ipk s TYR 102 Cb -0.18 0.39 -0.08 0.00 -1.10 0.00 0.00 41.96 40.99 2ipk s TYR 102 CO 0.08 -0.72 1.15 -2.14 -2.51 0.00 0.00 175.55 171.41 2ipk s PRO 103 N -3.16 3.96 0.32 -3.49 0.02 -1.26 -0.98 135.00 130.40 2ipk s PRO 103 Ca -0.01 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 2ipk s PRO 103 Cb -0.00 -2.55 -0.10 0.00 0.02 0.00 0.00 34.50 31.86 2ipk s PRO 103 CO -0.08 -0.38 1.41 0.45 -0.33 0.00 0.00 177.00 178.07 2ipk s SER 104 N -1.29 6.60 0.00 2.53 0.15 -0.08 -4.82 113.70 116.79 2ipk s SER 104 Ca 0.60 2.79 0.05 0.00 0.70 0.00 0.00 55.95 60.09 2ipk s SER 104 Cb -0.29 -2.65 0.23 0.00 -1.71 0.00 0.00 66.02 61.61 2ipk s SER 104 CO 0.35 -0.69 1.11 2.29 1.20 0.00 0.00 173.24 177.50 2ipk n LYS 105 N 1.23 0.03 -4.04 5.44 2.85 -1.26 -4.27 118.16 118.14 2ipk n LYS 105 Ca 0.03 0.35 -0.30 0.00 -1.05 0.00 0.00 58.31 57.34 2ipk n LYS 105 Cb 0.40 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.12 2ipk n LYS 105 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2ipk s THR 106 N -2.86 1.53 -0.60 0.58 2.01 -1.26 -5.07 115.64 109.97 2ipk s THR 106 Ca 0.03 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2ipk s THR 106 Cb 0.03 -1.44 0.15 0.00 0.01 0.00 0.00 72.50 71.26 2ipk s THR 106 CO 0.09 0.45 0.39 -1.10 -0.69 0.00 0.00 174.62 173.76 2ipk s GLN 107 N 1.48 2.09 -0.68 4.92 -1.52 -1.26 -4.82 119.66 119.86 2ipk s GLN 107 Ca 0.04 -2.91 -0.06 0.00 -1.95 0.00 0.00 55.36 50.48 2ipk s GLN 107 Cb -0.13 -3.13 -0.05 0.00 -0.22 0.00 0.00 33.01 29.49 2ipk s GLN 107 CO -0.10 -1.23 2.98 -0.35 -0.25 0.00 0.00 175.29 176.33 2ipk n PRO 108 N 2.52 2.93 -3.72 2.91 -0.04 -1.26 -4.89 135.00 133.45 2ipk n PRO 108 Ca 0.15 -2.16 -0.07 0.00 -0.04 0.00 0.00 63.50 61.38 2ipk n PRO 108 Cb 0.35 -2.30 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 2ipk n PRO 108 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ipk s LEU 109 N -1.17 -0.31 -0.12 1.53 1.43 -1.26 -5.11 118.68 113.67 2ipk s LEU 109 Ca 0.62 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 2ipk s LEU 109 Cb 0.29 2.50 -0.05 0.00 0.03 0.00 0.00 46.19 48.97 2ipk s LEU 109 CO -0.11 -1.10 0.34 0.00 0.23 0.00 0.00 176.35 175.71 2ipk s GLN 110 N -3.66 4.16 -0.65 1.70 -2.07 -1.26 -4.25 119.66 113.63 2ipk s GLN 110 Ca 0.09 0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.83 2ipk s GLN 110 Cb -0.03 -3.37 0.00 0.00 -1.09 0.00 0.00 33.01 28.51 2ipk s GLN 110 CO 0.01 0.34 0.00 0.72 -1.32 0.00 0.00 175.29 175.04 2ipk n HIS 111 N 3.17 -0.85 -4.68 9.60 8.25 -1.26 -4.88 115.22 124.56 2ipk n HIS 111 Ca -0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.01 2ipk n HIS 111 Cb 0.52 -1.77 -0.13 0.00 1.12 0.00 0.00 29.99 29.73 2ipk n HIS 111 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ipk s HIS 112 N -1.65 2.87 -0.32 4.41 3.76 -1.26 -4.47 115.29 118.63 2ipk s HIS 112 Ca 0.00 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 2ipk s HIS 112 Cb 0.00 -1.80 0.06 0.00 1.11 0.00 0.00 32.58 31.95 2ipk s HIS 112 CO 0.00 0.02 0.04 1.21 -0.85 0.00 0.00 174.74 175.16 2ipk s ASN 113 N -0.09 4.94 -0.35 1.40 3.04 0.41 -4.74 114.94 119.56 2ipk s ASN 113 Ca -0.00 -1.48 -0.28 0.00 0.04 0.00 0.00 52.86 51.14 2ipk s ASN 113 Cb -0.14 -1.73 0.02 0.00 -1.54 0.00 0.00 41.25 37.87 2ipk s ASN 113 CO 0.03 -0.32 1.02 -0.22 -3.04 0.00 0.00 177.10 174.57 2ipk s LEU 114 N 1.20 3.93 0.02 3.21 0.20 -1.26 -2.12 118.68 123.86 2ipk s LEU 114 Ca -0.02 0.85 -0.08 0.00 0.69 0.00 0.00 54.13 55.57 2ipk s LEU 114 Cb -0.20 -3.43 -0.05 0.00 -0.43 0.00 0.00 46.19 42.07 2ipk s LEU 114 CO -0.02 -0.89 0.30 -0.76 -0.29 0.00 0.00 176.35 174.70 2ipk s LEU 115 N 3.62 4.37 -0.11 -0.68 1.43 0.17 -0.91 118.68 126.58 2ipk s LEU 115 Ca 0.43 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.19 2ipk s LEU 115 Cb -0.12 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 2ipk s LEU 115 CO 0.17 0.25 -0.18 -0.69 0.23 0.00 0.00 176.35 176.13 2ipk s VAL 116 N -1.29 2.63 -0.37 -1.59 1.01 -0.15 -0.77 120.40 119.87 2ipk s VAL 116 Ca 0.28 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2ipk s VAL 116 Cb -0.14 -2.06 0.09 0.00 0.00 0.00 0.00 36.38 34.27 2ipk s VAL 116 CO 0.16 0.54 0.14 0.00 0.00 0.00 0.00 175.10 175.94 2ipk s SER 118 N 1.61 6.73 -0.22 0.00 0.15 -0.40 -1.57 113.70 120.01 2ipk s SER 118 Ca 0.04 0.88 -0.00 0.00 0.70 0.00 0.00 55.95 57.57 2ipk s SER 118 Cb -0.22 -2.33 0.06 0.00 -1.71 0.00 0.00 66.02 61.82 2ipk s SER 118 CO -0.03 -0.14 -0.04 -0.69 1.20 0.00 0.00 173.24 173.54 2ipk s VAL 119 N 1.23 1.29 0.25 4.45 1.01 -0.39 -1.95 120.40 126.28 2ipk s VAL 119 Ca 0.29 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2ipk s VAL 119 Cb -0.16 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2ipk s VAL 119 CO 0.12 -0.09 0.10 -0.94 0.00 0.00 0.00 175.10 174.29 2ipk s SER 120 N 1.51 1.11 -1.82 3.32 1.04 -0.56 -1.04 113.70 117.26 2ipk s SER 120 Ca -0.04 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.00 2ipk s SER 120 Cb -0.18 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2ipk s SER 120 CO -0.07 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2ipk n GLY 121 N -0.45 1.70 3.97 7.32 0.00 -0.44 -0.81 105.19 116.48 2ipk n GLY 121 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2ipk n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ipk s PHE 122 N -2.62 3.28 -0.27 1.61 -0.71 -1.11 -4.67 117.98 113.49 2ipk s PHE 122 Ca 0.00 0.02 -0.23 0.00 -1.04 0.00 0.00 56.93 55.68 2ipk s PHE 122 Cb 0.00 -1.94 0.07 0.00 -1.21 0.00 0.00 43.02 39.95 2ipk s PHE 122 CO 0.00 0.05 0.71 -0.47 -1.34 0.00 0.00 175.22 174.17 2ipk s TYR 123 N -2.23 -0.85 0.95 3.49 6.14 -0.78 -0.53 117.35 123.54 2ipk s TYR 123 Ca 0.42 1.97 -0.16 0.00 0.64 0.00 0.00 57.07 59.94 2ipk s TYR 123 Cb -0.09 0.36 0.23 0.00 0.42 0.00 0.00 41.96 42.87 2ipk s TYR 123 CO 0.33 -0.41 0.93 -0.35 0.64 0.00 0.00 175.55 176.68 2ipk n PRO 124 N 3.08 -2.36 0.18 4.97 -0.04 -1.25 -0.79 135.00 138.79 2ipk n PRO 124 Ca -0.15 -1.47 0.06 0.00 -0.04 0.00 0.00 63.50 61.89 2ipk n PRO 124 Cb 0.56 -1.28 0.23 0.00 -0.04 0.00 0.00 33.50 32.97 2ipk n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2ipk h GLY 125 N -2.10 0.00 -5.01 0.55 0.00 -1.98 -3.45 103.07 91.09 2ipk h GLY 125 Ca -0.34 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.46 2ipk h GLY 125 CO 0.22 0.00 1.06 -1.35 0.00 0.00 0.00 176.54 176.47 2ipk s SER 126 N -6.38 6.53 0.01 0.19 1.04 -1.26 -4.95 113.70 108.89 2ipk s SER 126 Ca 0.02 2.58 -0.24 0.00 0.48 0.00 0.00 55.95 58.79 2ipk s SER 126 Cb 0.09 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.70 2ipk s SER 126 CO 0.70 -0.94 0.54 -0.51 0.98 0.00 0.00 173.24 174.01 2ipk s ILE 127 N 2.88 0.02 -0.15 -1.02 2.07 -1.26 -4.62 121.20 119.13 2ipk s ILE 127 Ca 0.77 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 2ipk s ILE 127 Cb -0.42 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.27 2ipk s ILE 127 CO 0.34 -0.11 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.43 2ipk s GLU 128 N -1.91 2.25 -0.21 3.50 2.56 -0.51 -5.00 118.70 119.37 2ipk s GLU 128 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 54.97 54.34 2ipk s GLU 128 Cb -0.01 -2.10 0.04 0.00 2.00 0.00 0.00 34.13 34.06 2ipk s GLU 128 CO 0.03 -0.25 -0.14 0.08 -0.56 0.00 0.00 175.26 174.42 2ipk s VAL 129 N 1.49 1.95 0.05 3.70 1.01 -1.26 -0.84 120.40 126.50 2ipk s VAL 129 Ca 0.05 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.89 2ipk s VAL 129 Cb -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2ipk s VAL 129 CO -0.10 0.22 -0.14 -0.13 0.00 0.00 0.00 175.10 174.95 2ipk s ARG 130 N 1.27 0.87 0.14 2.72 0.52 -0.04 -4.96 118.95 119.46 2ipk s ARG 130 Ca -0.02 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 2ipk s ARG 130 Cb -0.16 -0.87 -0.04 0.00 0.52 0.00 0.00 34.95 34.40 2ipk s ARG 130 CO -0.09 0.21 0.27 -1.58 0.02 0.00 0.00 175.30 174.13 2ipk s TRP 131 N -1.05 3.48 0.00 -0.53 0.52 -1.26 0.50 118.94 120.61 2ipk s TRP 131 Ca -0.00 0.13 -0.04 0.00 0.02 0.00 0.00 56.10 56.21 2ipk s TRP 131 Cb -0.09 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2ipk s TRP 131 CO 0.02 0.53 0.07 -0.06 0.02 0.00 0.00 176.95 177.53 2ipk s PHE 132 N -1.70 0.10 -0.35 -1.98 0.40 0.40 -1.30 117.98 113.54 2ipk s PHE 132 Ca 0.34 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2ipk s PHE 132 Cb -0.11 -0.09 0.11 0.00 0.51 0.00 0.00 43.02 43.44 2ipk s PHE 132 CO 0.28 -0.22 0.10 0.50 0.70 0.00 0.00 175.22 176.58 2ipk s ARG 133 N -1.22 1.19 -1.03 0.44 3.52 0.35 -0.89 118.95 121.30 2ipk s ARG 133 Ca -0.13 -1.62 -0.06 0.00 -0.13 0.00 0.00 55.73 53.79 2ipk s ARG 133 Cb -0.08 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.68 2ipk s ARG 133 CO 0.00 -0.99 0.89 0.09 -0.81 0.00 0.00 175.30 174.48 2ipk n ASN 134 N 4.34 -4.71 0.00 -2.12 3.02 -0.60 -2.69 115.26 112.49 2ipk n ASN 134 Ca 0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2ipk n ASN 134 Cb 0.41 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.54 2ipk n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ipk n GLY 135 N -1.56 1.48 3.46 7.41 0.00 -1.26 -5.03 105.19 109.69 2ipk n GLY 135 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2ipk n GLY 135 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ipk s GLN 136 N -0.35 3.68 0.15 1.61 2.00 -1.10 -5.05 119.66 120.61 2ipk s GLN 136 Ca 0.00 -0.47 -0.32 0.00 -2.00 0.00 0.00 55.36 52.57 2ipk s GLN 136 Cb 0.00 -3.33 -0.12 0.00 0.80 0.00 0.00 33.01 30.36 2ipk s GLN 136 CO 0.00 -0.17 1.73 -1.91 -0.50 0.00 0.00 175.29 174.44 2ipk n GLU 137 N 4.87 2.56 -3.01 1.67 2.13 -1.26 -0.50 120.64 127.10 2ipk n GLU 137 Ca -0.16 0.93 -0.41 0.00 0.66 0.00 0.00 57.16 58.17 2ipk n GLU 137 Cb 0.51 -2.77 -0.05 0.00 0.27 0.00 0.00 31.44 29.40 2ipk n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ipk s GLU 138 N 1.77 4.00 -0.06 5.31 0.41 -0.42 -4.89 118.70 124.82 2ipk s GLU 138 Ca 0.79 0.56 -0.03 0.00 -0.41 0.00 0.00 54.97 55.89 2ipk s GLU 138 Cb -0.56 -3.70 -0.01 0.00 -1.78 0.00 0.00 34.13 28.08 2ipk s GLU 138 CO 0.37 -0.59 -0.05 0.87 -0.49 0.00 0.00 175.26 175.37 2ipk h LYS 139 N 8.04 0.00 -7.34 1.61 1.79 -1.92 -3.43 116.57 115.31 2ipk h LYS 139 Ca -0.25 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.71 2ipk h LYS 139 Cb 1.11 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.87 2ipk h LYS 139 CO 0.84 0.00 0.34 0.00 -1.08 0.00 0.00 179.45 179.55 2ipk s ALA 140 N -2.85 2.38 0.00 3.86 0.00 -1.26 -3.78 121.76 120.11 2ipk s ALA 140 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2ipk s ALA 140 Cb 0.01 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2ipk s ALA 140 CO 0.06 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.66 2ipk n GLY 141 N -1.71 2.78 3.76 0.00 0.00 -1.26 -4.88 105.19 103.89 2ipk n GLY 141 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2ipk n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipk s VAL 142 N -2.29 4.02 -0.15 1.61 1.01 -1.25 -2.80 120.40 120.56 2ipk s VAL 142 Ca 0.00 1.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.80 2ipk s VAL 142 Cb 0.00 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.30 2ipk s VAL 142 CO 0.00 0.34 0.34 -0.69 0.00 0.00 0.00 175.10 175.10 2ipk s VAL 143 N -1.34 -0.24 0.14 2.92 1.01 -0.82 -5.01 120.40 117.06 2ipk s VAL 143 Ca 0.45 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2ipk s VAL 143 Cb -0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2ipk s VAL 143 CO 0.30 0.07 -0.06 -0.55 0.00 0.00 0.00 175.10 174.86 2ipk s SER 144 N 1.83 4.56 0.00 3.32 0.15 -1.26 -0.35 113.70 121.95 2ipk s SER 144 Ca -0.06 -0.40 0.27 0.00 0.70 0.00 0.00 55.95 56.46 2ipk s SER 144 Cb -0.10 -0.91 0.92 0.00 -1.71 0.00 0.00 66.02 64.21 2ipk s SER 144 CO -0.11 0.13 1.69 0.35 1.20 0.00 0.00 173.24 176.50 2ipk n THR 145 N 0.29 0.00 0.00 6.45 -2.24 -0.77 -5.02 114.28 112.99 2ipk n THR 145 Ca -0.11 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2ipk n THR 145 Cb 0.54 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2ipk n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ipk n GLY 146 N 1.43 -0.37 3.68 3.38 0.00 -1.26 -4.89 105.19 107.16 2ipk n GLY 146 Ca 0.09 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2ipk n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ipk s LEU 147 N -2.50 4.26 -0.23 0.99 2.96 -1.26 -4.58 118.68 118.32 2ipk s LEU 147 Ca 0.00 1.83 -0.06 0.00 -0.22 0.00 0.00 54.13 55.68 2ipk s LEU 147 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2ipk s LEU 147 CO 0.00 -0.66 0.02 -0.63 -1.32 0.00 0.00 176.35 173.76 2ipk s ILE 148 N 2.66 4.00 -0.21 6.68 -1.09 -0.13 -4.99 121.20 128.12 2ipk s ILE 148 Ca 0.57 -0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 2ipk s ILE 148 Cb -0.25 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 2ipk s ILE 148 CO 0.21 0.39 0.48 -1.58 -1.23 0.00 0.00 174.94 173.20 2ipk s GLN 149 N 1.39 4.16 0.00 2.79 0.74 -1.26 -1.52 119.66 125.96 2ipk s GLN 149 Ca 0.05 0.32 0.28 0.00 0.05 0.00 0.00 55.36 56.06 2ipk s GLN 149 Cb -0.15 -3.57 0.99 0.00 1.10 0.00 0.00 33.01 31.38 2ipk s GLN 149 CO 0.01 -0.15 1.72 0.09 -0.55 0.00 0.00 175.29 176.42 2ipk n ASN 150 N 4.82 0.44 0.00 6.67 3.02 -0.60 -4.94 115.26 124.68 2ipk n ASN 150 Ca -0.06 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 2ipk n ASN 150 Cb 0.51 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2ipk n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ipk n GLY 151 N 1.39 1.36 0.77 7.41 0.00 -1.26 -4.86 105.19 110.00 2ipk n GLY 151 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2ipk n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ipk n ASP 152 N 0.00 1.84 -2.32 1.61 5.75 -1.26 -4.95 116.55 117.22 2ipk n ASP 152 Ca 0.00 -3.74 -0.16 0.00 -0.01 0.00 0.00 54.79 50.89 2ipk n ASP 152 Cb 0.00 -0.50 0.04 0.00 -1.03 0.00 0.00 41.12 39.63 2ipk n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2ipk n TRP 153 N -0.96 -1.60 -3.85 2.11 7.02 -1.26 -5.03 117.44 113.86 2ipk n TRP 153 Ca 0.19 0.50 -0.11 0.00 -1.02 0.00 0.00 57.50 57.07 2ipk n TRP 153 Cb 0.74 -3.52 -0.09 0.00 -2.42 0.00 0.00 31.31 26.03 2ipk n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2ipk s THR 154 N -3.08 0.10 0.30 -0.99 -4.23 -1.26 -4.67 115.64 101.82 2ipk s THR 154 Ca 0.29 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 2ipk s THR 154 Cb -0.13 -0.84 -0.06 0.00 1.34 0.00 0.00 72.50 72.81 2ipk s THR 154 CO 0.36 -0.48 0.00 -0.36 -0.54 0.00 0.00 174.62 173.61 2ipk s PHE 155 N -2.38 1.96 0.10 3.99 0.40 0.31 -1.55 117.98 120.80 2ipk s PHE 155 Ca -0.07 -0.83 -0.16 0.00 -0.60 0.00 0.00 56.93 55.27 2ipk s PHE 155 Cb -0.02 -1.21 0.03 0.00 0.51 0.00 0.00 43.02 42.33 2ipk s PHE 155 CO -0.03 0.14 0.40 1.14 0.70 0.00 0.00 175.22 177.57 2ipk s GLN 156 N -3.81 1.02 -0.17 0.44 -2.07 -0.58 -1.33 119.66 113.17 2ipk s GLN 156 Ca 0.33 -0.62 -0.29 0.00 -1.82 0.00 0.00 55.36 52.96 2ipk s GLN 156 Cb 0.07 0.45 0.11 0.00 -1.09 0.00 0.00 33.01 32.55 2ipk s GLN 156 CO 0.14 -0.38 0.93 -0.08 -1.32 0.00 0.00 175.29 174.57 2ipk s THR 157 N -3.42 0.00 -0.11 3.63 -1.32 -0.20 -0.96 115.64 113.25 2ipk s THR 157 Ca 0.01 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 2ipk s THR 157 Cb 0.01 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.00 2ipk s THR 157 CO -0.09 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.34 2ipk s LEU 158 N -0.82 2.21 -0.27 9.08 1.43 -1.26 -1.27 118.68 127.78 2ipk s LEU 158 Ca -0.03 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2ipk s LEU 158 Cb -0.01 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.83 2ipk s LEU 158 CO 0.02 0.15 -0.04 -0.69 0.23 0.00 0.00 176.35 176.02 2ipk s VAL 159 N 0.40 1.83 0.49 -1.59 1.01 -0.61 -1.85 120.40 120.07 2ipk s VAL 159 Ca -0.16 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.18 2ipk s VAL 159 Cb -0.17 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2ipk s VAL 159 CO 0.07 -0.22 0.80 -0.04 0.00 0.00 0.00 175.10 175.71 2ipk s MET 160 N 1.22 3.52 -0.12 2.72 -1.94 0.53 -1.76 119.30 123.47 2ipk s MET 160 Ca -0.02 0.21 -0.04 0.00 -1.71 0.00 0.00 55.69 54.12 2ipk s MET 160 Cb -0.19 -2.37 0.06 0.00 2.01 0.00 0.00 34.83 34.34 2ipk s MET 160 CO -0.08 -0.23 0.21 -1.17 -0.01 0.00 0.00 175.02 173.74 2ipk s LEU 161 N -4.76 -0.17 0.19 -0.03 2.96 0.05 -1.95 118.68 114.96 2ipk s LEU 161 Ca 0.48 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 2ipk s LEU 161 Cb -0.10 0.46 -0.08 0.00 0.50 0.00 0.00 46.19 46.96 2ipk s LEU 161 CO 0.45 -0.25 0.91 -0.70 -1.32 0.00 0.00 176.35 175.44 2ipk s GLU 162 N 2.35 4.76 0.04 1.98 2.56 -1.12 -0.65 118.70 128.62 2ipk s GLU 162 Ca 0.03 1.41 -0.07 0.00 0.00 0.00 0.00 54.97 56.34 2ipk s GLU 162 Cb -0.12 -3.31 -0.01 0.00 2.00 0.00 0.00 34.13 32.69 2ipk s GLU 162 CO -0.08 0.44 0.12 0.95 -0.56 0.00 0.00 175.26 176.14 2ipk s THR 163 N -0.82 0.13 -0.73 -1.70 -4.23 -0.90 -4.91 115.64 102.48 2ipk s THR 163 Ca 0.42 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2ipk s THR 163 Cb -0.25 -0.98 0.18 0.00 1.34 0.00 0.00 72.50 72.79 2ipk s THR 163 CO 0.30 -0.60 0.54 -0.69 -0.54 0.00 0.00 174.62 173.63 2ipk s VAL 164 N -2.80 3.35 0.41 2.29 1.01 -1.26 -0.44 120.40 122.96 2ipk s VAL 164 Ca -0.03 -3.93 -0.27 0.00 0.00 0.00 0.00 61.98 57.75 2ipk s VAL 164 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 2ipk s VAL 164 CO -0.05 -0.99 1.42 -2.16 0.00 0.00 0.00 175.10 173.32 2ipk s PRO 165 N -1.17 3.93 -0.06 2.72 0.04 -1.26 -5.05 135.00 134.15 2ipk s PRO 165 Ca 0.24 2.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.68 2ipk s PRO 165 Cb -0.09 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.67 2ipk s PRO 165 CO -0.12 -0.62 0.12 1.03 0.04 0.00 0.00 177.00 177.45 2ipk s ARG 166 N -2.24 0.02 0.08 4.56 0.52 -1.26 -5.07 118.95 115.55 2ipk s ARG 166 Ca 0.56 0.42 -0.25 0.00 -0.52 0.00 0.00 55.73 55.95 2ipk s ARG 166 Cb -0.44 -0.29 -0.14 0.00 0.52 0.00 0.00 34.95 34.61 2ipk s ARG 166 CO 0.58 -0.25 0.57 0.45 0.02 0.00 0.00 175.30 176.66 2ipk n SER 167 N 4.85 -0.50 0.00 0.23 2.88 -1.26 -1.51 113.62 118.32 2ipk n SER 167 Ca -0.14 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2ipk n SER 167 Cb 0.50 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2ipk n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ipk n GLY 168 N 1.30 3.32 3.76 0.46 0.00 -1.26 -5.04 105.19 107.73 2ipk n GLY 168 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2ipk n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ipk s GLU 169 N -0.67 4.46 -0.30 1.61 2.02 -0.57 -4.87 118.70 120.39 2ipk s GLU 169 Ca 0.00 1.91 -0.00 0.00 0.02 0.00 0.00 54.97 56.90 2ipk s GLU 169 Cb 0.00 -3.06 0.06 0.00 0.10 0.00 0.00 34.13 31.23 2ipk s GLU 169 CO 0.00 0.02 -0.02 0.08 0.02 0.00 0.00 175.26 175.36 2ipk s VAL 170 N -1.21 2.75 -0.32 2.63 1.01 -1.26 -1.40 120.40 122.60 2ipk s VAL 170 Ca 0.48 -1.54 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 2ipk s VAL 170 Cb -0.33 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2ipk s VAL 170 CO 0.43 -0.15 0.39 -0.31 0.00 0.00 0.00 175.10 175.47 2ipk s TYR 171 N 1.19 3.21 -0.10 5.22 2.02 -0.41 -1.56 117.35 126.92 2ipk s TYR 171 Ca -0.05 0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2ipk s TYR 171 Cb -0.20 -2.69 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 2ipk s TYR 171 CO -0.03 -0.39 -0.04 0.99 -1.57 0.00 0.00 175.55 174.52 2ipk s THR 172 N 2.11 3.94 -0.23 -0.71 2.01 -0.07 0.19 115.64 122.88 2ipk s THR 172 Ca 0.14 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 2ipk s THR 172 Cb -0.16 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2ipk s THR 172 CO 0.11 0.56 0.09 0.00 -0.69 0.00 0.00 174.62 174.70 2ipk s GLN 174 N 1.10 3.03 -0.11 0.00 0.74 0.18 -1.94 119.66 122.66 2ipk s GLN 174 Ca 0.05 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.81 2ipk s GLN 174 Cb -0.14 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.42 2ipk s GLN 174 CO 0.04 0.41 -0.13 0.08 -0.55 0.00 0.00 175.29 175.14 2ipk s VAL 175 N -0.17 1.34 -0.14 1.34 1.01 0.31 -0.86 120.40 123.24 2ipk s VAL 175 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2ipk s VAL 175 Cb -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2ipk s VAL 175 CO 0.03 0.41 -0.12 -1.61 0.00 0.00 0.00 175.10 173.82 2ipk s GLU 176 N 1.22 3.42 -0.06 2.72 2.02 -0.02 -0.64 118.70 127.36 2ipk s GLU 176 Ca -0.03 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.10 2ipk s GLU 176 Cb -0.14 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.45 2ipk s GLU 176 CO -0.04 0.20 0.47 -1.58 0.02 0.00 0.00 175.26 174.32 2ipk s HIS 177 N 0.41 -0.40 -0.27 1.61 2.46 -1.26 -1.43 115.29 116.40 2ipk s HIS 177 Ca -0.09 0.74 0.18 0.00 0.47 0.00 0.00 55.06 56.36 2ipk s HIS 177 Cb -0.16 0.22 0.99 0.00 -0.13 0.00 0.00 32.58 33.50 2ipk s HIS 177 CO 0.05 -0.44 1.55 -2.30 -2.47 0.00 0.00 174.74 171.12 2ipk n PRO 178 N 1.42 0.12 0.22 2.88 -0.02 -1.26 -1.76 135.00 136.59 2ipk n PRO 178 Ca -0.19 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2ipk n PRO 178 Cb 0.56 -1.92 0.26 0.00 -0.02 0.00 0.00 33.50 32.39 2ipk n PRO 178 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ipk h SER 179 N 0.00 0.00 -4.24 2.55 4.64 -1.89 -3.45 113.55 111.15 2ipk h SER 179 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2ipk h SER 179 Cb 0.06 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.90 2ipk h SER 179 CO 0.00 0.06 -0.84 0.68 -0.87 0.00 0.00 176.83 175.86 2ipk s VAL 180 N -3.29 1.68 -0.14 0.95 -7.23 -0.72 -4.88 120.40 106.76 2ipk s VAL 180 Ca 0.05 -1.32 0.16 0.00 -1.81 0.00 0.00 61.98 59.06 2ipk s VAL 180 Cb 0.06 -1.48 0.08 0.00 0.56 0.00 0.00 36.38 35.60 2ipk s VAL 180 CO 0.65 0.11 1.48 0.71 -0.31 0.00 0.00 175.10 177.74 2ipk h THR 181 N 4.26 0.82 -4.02 5.32 1.35 -1.87 -3.43 112.91 115.34 2ipk h THR 181 Ca -0.44 -2.09 -0.48 0.00 -0.55 0.00 0.00 66.41 62.85 2ipk h THR 181 Cb 1.17 2.36 -0.24 0.00 -1.73 0.00 0.00 68.15 69.71 2ipk h THR 181 CO 0.42 0.46 -0.81 -0.94 -0.25 0.00 0.00 175.52 174.40 2ipk s SER 182 N -6.44 1.99 0.49 5.36 1.04 -1.26 -5.12 113.70 109.77 2ipk s SER 182 Ca 0.04 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 2ipk s SER 182 Cb 0.08 -0.12 -0.08 0.00 0.10 0.00 0.00 66.02 66.00 2ipk s SER 182 CO 0.73 0.04 1.07 -2.65 0.98 0.00 0.00 173.24 173.41 2ipk n PRO 183 N 1.58 1.34 -3.55 4.02 -0.02 -1.26 -4.93 135.00 132.18 2ipk n PRO 183 Ca -0.19 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 2ipk n PRO 183 Cb 0.54 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2ipk n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ipk s LEU 184 N -1.46 4.36 -0.00 2.45 1.43 0.18 -4.90 118.68 120.74 2ipk s LEU 184 Ca 0.67 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2ipk s LEU 184 Cb -0.49 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2ipk s LEU 184 CO 0.53 0.22 -0.15 0.42 0.23 0.00 0.00 176.35 177.60 2ipk s THR 185 N -0.34 1.21 -0.06 5.49 -4.23 -1.26 -0.53 115.64 115.91 2ipk s THR 185 Ca 0.20 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2ipk s THR 185 Cb -0.15 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.70 2ipk s THR 185 CO 0.08 0.28 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.73 2ipk s VAL 186 N -0.45 0.48 0.04 2.29 1.01 -0.82 -4.98 120.40 117.96 2ipk s VAL 186 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2ipk s VAL 186 Cb -0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2ipk s VAL 186 CO -0.00 0.25 0.10 -1.61 0.00 0.00 0.00 175.10 173.84 2ipk s GLU 187 N 1.48 3.06 -0.23 2.72 2.02 -1.26 -1.04 118.70 125.45 2ipk s GLU 187 Ca -0.02 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.40 2ipk s GLU 187 Cb -0.13 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.27 2ipk s GLU 187 CO -0.03 0.61 -0.08 -0.46 0.02 0.00 0.00 175.26 175.33 2ipk s TRP 188 N -1.31 2.97 -0.36 1.61 -0.11 0.13 -4.97 118.94 116.90 2ipk s TRP 188 Ca 0.27 -1.33 -0.18 0.00 1.22 0.00 0.00 56.10 56.08 2ipk s TRP 188 Cb -0.12 -2.06 -0.00 0.00 -1.50 0.00 0.00 33.47 29.79 2ipk s TRP 188 CO 0.19 -0.67 0.53 1.03 -4.62 0.00 0.00 176.95 173.41 2ipk s ARG 189 N 1.38 3.58 0.00 5.86 1.81 -1.26 -1.28 118.95 129.04 2ipk s ARG 189 Ca 0.03 -0.17 0.28 0.00 -1.72 0.00 0.00 55.73 54.15 2ipk s ARG 189 Cb -0.15 -3.82 1.12 0.00 -0.45 0.00 0.00 34.95 31.64 2ipk s ARG 189 CO -0.05 -0.69 1.78 0.00 -0.68 0.00 0.00 175.30 175.66