#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk0 s ARG -3 N 0.00 0.86 0.04 0.00 0.52 -1.26 -5.09 118.95 114.02 2pk0 s ARG -3 Ca 0.00 -1.86 -0.30 0.00 -0.52 0.00 0.00 55.73 53.04 2pk0 s ARG -3 Cb 0.00 -1.51 -0.08 0.00 0.52 0.00 0.00 34.95 33.88 2pk0 s ARG -3 CO 0.00 -1.31 1.70 -1.59 0.02 0.00 0.00 175.30 174.13 2pk0 s LYS -2 N 0.39 4.18 -0.05 3.54 0.00 -1.26 -3.40 119.74 123.14 2pk0 s LYS -2 Ca 0.26 2.35 0.04 0.00 0.00 0.00 0.00 55.97 58.62 2pk0 s LYS -2 Cb -0.08 -3.75 0.00 0.00 0.00 0.00 0.00 37.83 34.00 2pk0 s LYS -2 CO -0.11 -0.79 -0.16 0.15 0.00 0.00 0.00 175.35 174.44 2pk0 s LYS -1 N 3.17 1.79 0.17 1.78 -0.14 -1.26 -5.01 119.74 120.25 2pk0 s LYS -1 Ca 0.76 -0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 2pk0 s LYS -1 Cb -0.39 -1.52 -0.08 0.00 -1.68 0.00 0.00 37.83 34.16 2pk0 s LYS -1 CO 0.33 0.17 1.19 1.52 -0.76 0.00 0.00 175.35 177.80 2pk0 s TYR 0 N 0.24 3.44 -0.02 3.18 -0.00 -1.26 -4.95 117.35 117.99 2pk0 s TYR 0 Ca -0.08 1.43 0.00 0.00 -0.00 0.00 0.00 57.07 58.42 2pk0 s TYR 0 Cb -0.13 -3.42 0.02 0.00 -0.00 0.00 0.00 41.96 38.44 2pk0 s TYR 0 CO 0.03 -1.16 0.02 -1.64 -0.00 0.00 0.00 175.55 172.80 2pk0 s MET 1 N -0.15 0.04 -0.19 -3.49 -1.94 -1.26 -1.40 119.30 110.90 2pk0 s MET 1 Ca 0.53 0.12 -0.08 0.00 -1.71 0.00 0.00 55.69 54.56 2pk0 s MET 1 Cb -0.32 -0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 2pk0 s MET 1 CO 0.36 -0.12 0.07 -2.00 -0.01 0.00 0.00 175.02 173.31 2pk0 s GLU 2 N 0.82 3.97 -0.12 2.03 2.12 -0.64 -4.95 118.70 121.93 2pk0 s GLU 2 Ca -0.07 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 2pk0 s GLU 2 Cb -0.10 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 2pk0 s GLU 2 CO -0.02 0.25 -0.03 0.42 -0.54 0.00 0.00 175.26 175.34 2pk0 s ILE 3 N 0.45 4.00 -0.10 -3.70 1.01 -1.26 -1.08 121.20 120.51 2pk0 s ILE 3 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2pk0 s ILE 3 Cb -0.12 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.65 2pk0 s ILE 3 CO 0.00 0.54 -0.12 -0.55 0.00 0.00 0.00 174.94 174.82 2pk0 s SER 4 N -0.19 2.18 -0.08 3.58 0.15 0.90 -4.99 113.70 115.25 2pk0 s SER 4 Ca 0.04 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.34 2pk0 s SER 4 Cb -0.13 -0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 63.22 2pk0 s SER 4 CO 0.02 -0.03 -0.08 -0.76 1.20 0.00 0.00 173.24 173.59 2pk0 s LEU 5 N 1.16 3.07 -0.15 3.45 1.43 -1.26 -0.67 118.68 125.71 2pk0 s LEU 5 Ca -0.04 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2pk0 s LEU 5 Cb -0.14 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2pk0 s LEU 5 CO -0.03 0.33 0.39 -0.22 0.23 0.00 0.00 176.35 177.05 2pk0 s LEU 6 N -0.62 0.38 0.08 1.79 2.96 -0.63 -5.03 118.68 117.60 2pk0 s LEU 6 Ca 0.09 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 54.88 2pk0 s LEU 6 Cb -0.11 1.33 -0.03 0.00 0.50 0.00 0.00 46.19 47.87 2pk0 s LEU 6 CO 0.02 -0.15 -0.19 0.28 -1.32 0.00 0.00 176.35 174.98 2pk0 s THR 7 N 0.48 1.58 -0.00 3.68 -1.32 -1.26 -1.01 115.64 117.79 2pk0 s THR 7 Ca -0.02 -1.38 -0.01 0.00 -1.21 0.00 0.00 61.69 59.06 2pk0 s THR 7 Cb -0.04 -1.42 -0.00 0.00 -1.51 0.00 0.00 72.50 69.52 2pk0 s THR 7 CO -0.02 -0.01 0.02 -0.62 -2.21 0.00 0.00 174.62 171.78 2pk0 s ASP 8 N -1.64 0.05 0.24 8.08 2.15 0.34 -5.00 116.67 120.88 2pk0 s ASP 8 Ca 0.05 -0.13 0.01 0.00 0.43 0.00 0.00 52.55 52.92 2pk0 s ASP 8 Cb -0.09 0.09 0.26 0.00 -0.30 0.00 0.00 42.92 42.88 2pk0 s ASP 8 CO 0.03 -0.13 1.60 -0.29 -0.17 0.00 0.00 175.17 176.21 2pk0 h ILE 9 N 4.89 1.32 0.00 4.11 2.10 -1.92 -1.12 117.51 126.89 2pk0 h ILE 9 Ca -0.27 -1.65 0.00 0.00 1.08 0.00 0.00 64.86 64.02 2pk0 h ILE 9 Cb 1.21 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 2pk0 h ILE 9 CO 0.46 0.51 0.00 0.61 -1.08 0.00 0.00 178.15 178.64 2pk0 n GLY 10 N 0.02 1.47 0.19 8.18 0.00 -1.26 -3.44 105.19 110.34 2pk0 n GLY 10 Ca -0.02 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 2pk0 n GLY 10 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pk0 h GLN 11 N 0.00 0.57 -0.40 1.61 1.08 -1.70 -3.31 115.11 112.96 2pk0 h GLN 11 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2pk0 h GLN 11 Cb 0.00 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2pk0 h GLN 11 CO 0.00 0.43 0.00 0.54 -0.95 0.00 0.00 178.83 178.85 2pk0 n ARG 12 N -4.75 2.32 -4.24 1.46 5.12 -1.09 -4.95 116.66 110.54 2pk0 n ARG 12 Ca 0.01 -2.01 -0.19 0.00 -1.93 0.00 0.00 57.85 53.72 2pk0 n ARG 12 Cb 0.06 -1.48 -0.12 0.00 -1.16 0.00 0.00 32.46 29.76 2pk0 n ARG 12 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2pk0 s ARG 13 N -1.48 1.02 -0.01 5.56 0.52 -1.25 -5.01 118.95 118.31 2pk0 s ARG 13 Ca 0.38 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.50 2pk0 s ARG 13 Cb 0.21 -1.01 0.27 0.00 0.52 0.00 0.00 34.95 34.94 2pk0 s ARG 13 CO 0.30 0.21 1.22 -1.13 0.02 0.00 0.00 175.30 175.92 2pk0 n SER 14 N 0.76 2.83 -3.69 0.23 3.41 -1.26 -4.75 113.62 111.15 2pk0 n SER 14 Ca -0.17 -2.04 -0.11 0.00 -0.26 0.00 0.00 58.87 56.29 2pk0 n SER 14 Cb 0.56 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 2pk0 n SER 14 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pk0 s ASN 15 N -1.04 -0.33 -0.52 4.04 3.04 -1.26 -5.12 114.94 113.76 2pk0 s ASN 15 Ca 0.21 0.82 -0.17 0.00 0.04 0.00 0.00 52.86 53.75 2pk0 s ASN 15 Cb 0.11 0.82 0.08 0.00 -1.54 0.00 0.00 41.25 40.72 2pk0 s ASN 15 CO 0.13 -0.20 0.55 0.21 -3.04 0.00 0.00 177.10 174.75 2pk0 s ASN 16 N 1.73 6.19 -0.06 -4.21 3.84 -1.26 -4.88 114.94 116.29 2pk0 s ASN 16 Ca -0.07 -1.26 0.19 0.00 0.21 0.00 0.00 52.86 51.93 2pk0 s ASN 16 Cb -0.10 -2.25 0.63 0.00 -0.55 0.00 0.00 41.25 38.99 2pk0 s ASN 16 CO -0.12 -0.85 1.53 0.00 -2.79 0.00 0.00 177.10 174.87 2pk0 n GLN 17 N 5.76 3.07 -3.15 0.43 6.02 -1.26 -4.83 117.38 123.42 2pk0 n GLN 17 Ca -0.10 -2.54 -0.33 0.00 -0.01 0.00 0.00 57.00 54.02 2pk0 n GLN 17 Cb 0.44 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 2pk0 n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pk0 s ASP 18 N -0.92 6.82 0.00 1.08 1.01 -1.26 -1.26 116.67 122.13 2pk0 s ASP 18 Ca 0.46 1.28 0.02 0.00 0.71 0.00 0.00 52.55 55.03 2pk0 s ASP 18 Cb 0.27 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 2pk0 s ASP 18 CO 0.26 -0.15 -0.08 0.12 0.21 0.00 0.00 175.17 175.53 2pk0 s PHE 19 N -1.89 0.71 -0.02 4.23 5.36 0.14 -4.92 117.98 121.59 2pk0 s PHE 19 Ca 0.52 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 56.30 2pk0 s PHE 19 Cb -0.11 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.12 2pk0 s PHE 19 CO 0.18 -0.01 0.06 -1.50 -1.46 0.00 0.00 175.22 172.48 2pk0 s ILE 20 N -0.30 0.01 0.18 3.12 2.07 -1.26 -0.56 121.20 124.45 2pk0 s ILE 20 Ca 0.02 -0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 58.97 2pk0 s ILE 20 Cb -0.04 -0.11 0.06 0.00 0.13 0.00 0.00 42.46 42.51 2pk0 s ILE 20 CO -0.00 -0.03 0.66 0.21 -1.91 0.00 0.00 174.94 173.87 2pk0 s ASN 21 N -0.08 -0.47 0.23 4.50 3.84 -0.92 -5.04 114.94 117.01 2pk0 s ASN 21 Ca -0.01 -0.16 0.11 0.00 0.21 0.00 0.00 52.86 53.00 2pk0 s ASN 21 Cb -0.01 0.61 -0.05 0.00 -0.55 0.00 0.00 41.25 41.26 2pk0 s ASN 21 CO 0.00 -1.04 -0.20 0.00 -2.79 0.00 0.00 177.10 173.08 2pk0 s GLN 22 N -3.74 1.52 0.20 0.43 -2.07 -1.26 -1.34 119.66 113.40 2pk0 s GLN 22 Ca 0.04 -1.62 -0.08 0.00 -1.82 0.00 0.00 55.36 51.88 2pk0 s GLN 22 Cb -0.02 -1.61 -0.02 0.00 -1.09 0.00 0.00 33.01 30.27 2pk0 s GLN 22 CO -0.07 0.31 0.30 -0.06 -1.32 0.00 0.00 175.29 174.44 2pk0 s PHE 23 N -2.32 0.62 -0.09 9.60 0.40 0.38 -4.98 117.98 121.59 2pk0 s PHE 23 Ca 0.24 -0.94 -0.04 0.00 -0.60 0.00 0.00 56.93 55.59 2pk0 s PHE 23 Cb -0.05 -0.13 0.04 0.00 0.51 0.00 0.00 43.02 43.39 2pk0 s PHE 23 CO 0.11 -0.78 0.19 -2.00 0.70 0.00 0.00 175.22 173.44 2pk0 s GLU 24 N -4.04 0.14 0.95 0.44 2.12 -1.26 -0.99 118.70 116.05 2pk0 s GLU 24 Ca 0.25 0.46 -0.14 0.00 0.36 0.00 0.00 54.97 55.90 2pk0 s GLU 24 Cb 0.03 -0.16 0.21 0.00 0.26 0.00 0.00 34.13 34.47 2pk0 s GLU 24 CO 0.06 -0.17 1.30 0.54 -0.54 0.00 0.00 175.26 176.44 2pk0 s ASN 25 N 1.30 3.10 0.36 -1.70 4.22 -0.86 -4.54 114.94 116.82 2pk0 s ASN 25 Ca -0.08 0.08 0.27 0.00 -2.14 0.00 0.00 52.86 50.98 2pk0 s ASN 25 Cb -0.11 -0.09 1.19 0.00 1.28 0.00 0.00 41.25 43.52 2pk0 s ASN 25 CO -0.07 -2.73 1.80 0.11 -2.04 0.00 0.00 177.10 174.17 2pk0 h LYS 26 N -1.56 0.00 -0.55 3.55 1.57 -1.31 -1.55 116.57 116.72 2pk0 h LYS 26 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2pk0 h LYS 26 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2pk0 h LYS 26 CO 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 2pk0 n ALA 27 N -1.86 2.41 -0.51 3.86 0.00 -1.26 -4.94 120.51 118.21 2pk0 n ALA 27 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2pk0 n ALA 27 Cb 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2pk0 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pk0 n GLY 28 N 1.50 0.75 3.63 0.00 0.00 -0.58 -5.01 105.19 105.48 2pk0 n GLY 28 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2pk0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pk0 s VAL 29 N -2.50 4.60 0.44 1.61 1.01 -1.26 -4.78 120.40 119.53 2pk0 s VAL 29 Ca 0.00 1.49 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 2pk0 s VAL 29 Cb 0.00 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 2pk0 s VAL 29 CO 0.00 -0.42 1.08 -2.16 0.00 0.00 0.00 175.10 173.60 2pk0 s PRO 30 N 3.42 3.94 -0.02 2.72 0.04 -1.26 -2.03 135.00 141.80 2pk0 s PRO 30 Ca 0.40 1.53 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2pk0 s PRO 30 Cb -0.13 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.05 2pk0 s PRO 30 CO 0.15 -0.34 -0.06 -1.17 0.04 0.00 0.00 177.00 175.62 2pk0 s LEU 31 N -3.01 1.75 -0.13 -3.56 2.96 -0.16 -2.22 118.68 114.32 2pk0 s LEU 31 Ca 0.62 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 2pk0 s LEU 31 Cb -0.22 -0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.09 2pk0 s LEU 31 CO 0.27 0.03 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.50 2pk0 s ILE 32 N 0.24 2.27 -0.16 6.68 1.01 0.59 -0.47 121.20 131.36 2pk0 s ILE 32 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.71 2pk0 s ILE 32 Cb -0.07 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.51 2pk0 s ILE 32 CO -0.00 0.54 -0.17 -0.63 0.00 0.00 0.00 174.94 174.68 2pk0 s ILE 33 N 0.64 1.77 -0.08 2.92 1.01 -0.45 -0.65 121.20 126.36 2pk0 s ILE 33 Ca -0.10 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2pk0 s ILE 33 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 2pk0 s ILE 33 CO 0.02 0.49 -0.15 -0.22 0.00 0.00 0.00 174.94 175.08 2pk0 s LEU 34 N 1.35 2.65 -0.02 2.97 0.20 -0.08 -2.16 118.68 123.58 2pk0 s LEU 34 Ca 0.04 -0.29 -0.00 0.00 0.69 0.00 0.00 54.13 54.57 2pk0 s LEU 34 Cb -0.13 -1.56 0.03 0.00 -0.43 0.00 0.00 46.19 44.10 2pk0 s LEU 34 CO -0.11 0.26 0.03 0.00 -0.29 0.00 0.00 176.35 176.24 2pk0 s ALA 35 N -0.23 0.06 -0.40 5.97 0.00 0.27 -0.78 121.76 126.65 2pk0 s ALA 35 Ca 0.01 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 2pk0 s ALA 35 Cb -0.13 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.85 2pk0 s ALA 35 CO 0.03 -0.09 0.21 0.34 0.00 0.00 0.00 175.76 176.25 2pk0 s ASP 36 N 0.90 5.51 0.50 0.00 -1.08 -1.20 -0.68 116.67 120.62 2pk0 s ASP 36 Ca -0.07 -1.46 -0.15 0.00 -0.52 0.00 0.00 52.55 50.35 2pk0 s ASP 36 Cb -0.11 -1.94 -0.07 0.00 -1.46 0.00 0.00 42.92 39.34 2pk0 s ASP 36 CO -0.03 -0.48 0.94 -0.83 0.52 0.00 0.00 175.17 175.30 2pk0 s GLY 37 N 1.89 1.99 0.09 2.66 0.00 -0.39 -0.38 107.32 113.18 2pk0 s GLY 37 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.83 2pk0 s GLY 37 CO 0.02 0.32 -0.08 -3.16 0.00 0.00 0.00 173.10 170.20 2pk0 s MET 38 N -4.14 0.80 0.00 2.90 0.23 0.12 -4.78 119.30 114.44 2pk0 s MET 38 Ca 0.57 -1.20 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 2pk0 s MET 38 Cb -0.10 -0.33 0.00 0.00 -1.53 0.00 0.00 34.83 32.87 2pk0 s MET 38 CO 0.34 0.02 0.00 0.41 -2.03 0.00 0.00 175.02 173.76 2pk0 n GLY 39 N 0.35 4.02 3.68 3.16 0.00 -1.25 -2.67 105.19 112.49 2pk0 n GLY 39 Ca -0.15 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 2pk0 n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pk0 s GLY 40 N 0.00 1.68 0.00 -0.02 0.00 -1.25 -2.81 107.32 104.91 2pk0 s GLY 40 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2pk0 s GLY 40 CO 0.00 0.92 0.00 -2.39 0.00 0.00 0.00 173.10 171.63 2pk0 n HIS 41 N -4.14 0.00 -0.99 1.90 1.44 -1.26 -2.70 115.22 109.48 2pk0 n HIS 41 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2pk0 n HIS 41 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2pk0 n HIS 41 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2pk0 n ARG 42 N -0.02 -0.00 0.12 -1.40 1.74 -1.26 -4.89 116.66 110.95 2pk0 n ARG 42 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2pk0 n ARG 42 Cb 0.00 -2.60 0.11 0.00 -1.02 0.00 0.00 32.46 28.95 2pk0 n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pk0 h ALA 43 N 0.00 0.84 -0.02 7.54 0.00 -1.62 -1.88 119.26 124.13 2pk0 h ALA 43 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 54.91 54.07 2pk0 h ALA 43 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2pk0 h ALA 43 CO 0.00 0.87 -0.88 0.78 0.00 0.00 0.00 179.25 180.02 2pk0 h GLY 44 N 2.11 0.40 0.77 0.00 0.00 -1.48 -2.68 103.07 102.20 2pk0 h GLY 44 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 2pk0 h GLY 44 CO 0.09 0.60 -0.03 3.43 0.00 0.00 0.00 176.54 180.63 2pk0 h ASN 45 N 0.21 0.31 -0.06 0.19 4.21 -1.77 -2.84 115.58 115.83 2pk0 h ASN 45 Ca -0.06 -0.36 -0.00 0.00 1.21 0.00 0.00 56.30 57.09 2pk0 h ASN 45 Cb 1.50 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.62 2pk0 h ASN 45 CO 0.15 0.59 0.04 0.40 -1.29 0.00 0.00 177.43 177.32 2pk0 h ILE 46 N 0.02 1.05 -0.57 2.81 1.08 -1.41 -1.84 117.51 118.65 2pk0 h ILE 46 Ca 0.04 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 2pk0 h ILE 46 Cb 0.45 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 2pk0 h ILE 46 CO 0.01 0.04 0.25 0.00 -0.69 0.00 0.00 178.15 177.77 2pk0 h ALA 47 N 0.98 0.73 -0.05 1.87 0.00 -1.53 0.17 119.26 121.44 2pk0 h ALA 47 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2pk0 h ALA 47 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2pk0 h ALA 47 CO -0.00 0.32 -0.05 0.66 0.00 0.00 0.00 179.25 180.17 2pk0 h SER 48 N 0.77 0.13 -0.03 0.00 4.64 -1.49 -2.34 113.55 115.23 2pk0 h SER 48 Ca 0.19 -0.48 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 2pk0 h SER 48 Cb 0.15 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2pk0 h SER 48 CO -0.02 0.58 -0.18 -0.08 -0.87 0.00 0.00 176.83 176.26 2pk0 h GLU 49 N -0.33 0.38 -0.04 4.77 4.81 -1.26 -2.87 114.58 120.04 2pk0 h GLU 49 Ca 0.01 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2pk0 h GLU 49 Cb 0.55 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2pk0 h GLU 49 CO 0.01 0.56 -0.05 1.98 -0.73 0.00 0.00 179.01 180.78 2pk0 h MET 50 N 0.35 0.11 0.10 1.92 4.05 -0.64 -1.09 114.93 119.73 2pk0 h MET 50 Ca 0.06 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2pk0 h MET 50 Cb 0.53 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 2pk0 h MET 50 CO 0.03 0.58 -0.39 1.15 0.23 0.00 0.00 176.91 178.51 2pk0 h THR 51 N -0.35 0.19 -0.30 -0.77 2.02 -1.48 0.87 112.91 113.10 2pk0 h THR 51 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2pk0 h THR 51 Cb 0.56 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2pk0 h THR 51 CO 0.01 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.60 2pk0 h VAL 52 N -0.61 0.94 -0.02 3.16 2.07 -1.56 -1.70 116.25 118.53 2pk0 h VAL 52 Ca 0.03 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2pk0 h VAL 52 Cb 0.65 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2pk0 h VAL 52 CO -0.25 0.05 -0.00 0.74 0.02 0.00 0.00 177.57 178.13 2pk0 h THR 53 N 0.26 1.28 -0.12 2.57 2.02 -1.05 -2.37 112.91 115.50 2pk0 h THR 53 Ca 0.13 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2pk0 h THR 53 Cb 0.08 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2pk0 h THR 53 CO -0.12 0.22 0.06 0.44 0.37 0.00 0.00 175.52 176.49 2pk0 h ASP 54 N -0.31 0.10 -0.43 4.18 3.32 -0.82 -0.56 116.42 121.89 2pk0 h ASP 54 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2pk0 h ASP 54 Cb 0.36 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2pk0 h ASP 54 CO 0.00 0.08 0.19 -0.07 -1.72 0.00 0.00 179.24 177.72 2pk0 h LEU 55 N 0.14 0.58 -0.49 1.55 4.07 -1.40 -1.79 115.31 117.97 2pk0 h LEU 55 Ca 0.05 -0.15 -0.17 0.00 0.08 0.00 0.00 57.88 57.69 2pk0 h LEU 55 Cb 0.00 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 2pk0 h LEU 55 CO -0.03 0.57 -0.70 1.23 -1.08 0.00 0.00 178.44 178.43 2pk0 h GLY 56 N 0.56 0.34 2.00 0.83 0.00 -1.32 0.22 103.07 105.70 2pk0 h GLY 56 Ca 0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 2pk0 h GLY 56 CO -0.02 0.41 -0.47 0.23 0.00 0.00 0.00 176.54 176.70 2pk0 h SER 57 N 0.21 0.00 0.33 0.19 0.87 -1.09 -1.19 113.55 112.88 2pk0 h SER 57 Ca -0.02 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.23 2pk0 h SER 57 Cb 1.25 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.24 2pk0 h SER 57 CO 0.11 0.47 -1.36 -0.78 -0.53 0.00 0.00 176.83 174.75 2pk0 h ASP 58 N 0.00 0.74 -0.82 6.23 3.58 -0.77 -3.26 116.42 122.11 2pk0 h ASP 58 Ca -0.00 -0.76 0.07 0.00 0.42 0.00 0.00 57.03 56.75 2pk0 h ASP 58 Cb 0.88 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 2pk0 h ASP 58 CO 0.06 1.59 0.54 -0.25 -2.88 0.00 0.00 179.24 178.30 2pk0 h TRP 59 N 0.16 0.90 0.00 0.28 2.91 -0.43 -2.11 115.95 117.66 2pk0 h TRP 59 Ca -0.21 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.82 2pk0 h TRP 59 Cb 2.05 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 30.40 2pk0 h TRP 59 CO 0.11 0.47 -0.10 0.00 -1.03 0.00 0.00 178.44 177.88 2pk0 h ALA 60 N 1.56 1.17 0.00 2.65 0.00 -1.26 -2.15 119.26 121.23 2pk0 h ALA 60 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2pk0 h ALA 60 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pk0 h ALA 60 CO -0.13 0.12 -0.56 0.39 0.00 0.00 0.00 179.25 179.08 2pk0 n GLU 61 N -3.45 0.04 -1.82 0.00 -0.58 -0.80 -3.84 120.64 110.19 2pk0 n GLU 61 Ca -0.01 0.01 -0.29 0.00 -0.42 0.00 0.00 57.16 56.44 2pk0 n GLU 61 Cb 0.25 -1.52 0.12 0.00 -0.57 0.00 0.00 31.44 29.73 2pk0 n GLU 61 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2pk0 s THR 62 N -3.02 1.99 0.00 2.62 -4.23 -0.81 -4.81 115.64 107.38 2pk0 s THR 62 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2pk0 s THR 62 Cb 0.17 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2pk0 s THR 62 CO 0.71 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 174.12 2pk0 n ASP 63 N -3.53 3.86 -4.84 3.99 2.03 -1.26 -1.33 116.55 115.47 2pk0 n ASP 63 Ca 0.09 -0.07 -0.32 0.00 0.52 0.00 0.00 54.79 55.01 2pk0 n ASP 63 Cb 0.60 0.92 0.01 0.00 -0.72 0.00 0.00 41.12 41.94 2pk0 n ASP 63 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2pk0 s PHE 64 N -1.69 3.32 0.00 -0.67 -0.12 -1.26 -4.37 117.98 113.19 2pk0 s PHE 64 Ca 0.00 1.41 0.00 0.00 -0.05 0.00 0.00 56.93 58.29 2pk0 s PHE 64 Cb 0.00 -2.84 0.00 0.00 -0.63 0.00 0.00 43.02 39.55 2pk0 s PHE 64 CO 0.00 -0.85 0.18 -1.13 -0.05 0.00 0.00 175.22 173.36 2pk0 n SER 65 N -2.46 0.16 -4.58 1.98 3.41 -1.26 -4.67 113.62 106.20 2pk0 n SER 65 Ca 0.07 -1.03 -0.30 0.00 -0.26 0.00 0.00 58.87 57.35 2pk0 n SER 65 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 2pk0 n SER 65 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pk0 s GLU 66 N -0.03 2.16 0.27 4.33 0.41 -1.26 -4.99 118.70 119.59 2pk0 s GLU 66 Ca 0.00 -1.00 -0.04 0.00 -0.41 0.00 0.00 54.97 53.52 2pk0 s GLU 66 Cb 0.00 -2.32 0.34 0.00 -1.78 0.00 0.00 34.13 30.37 2pk0 s GLU 66 CO 0.00 0.51 1.93 -0.07 -0.49 0.00 0.00 175.26 177.15 2pk0 h LEU 67 N 3.66 1.08 -0.75 1.80 3.38 -1.99 -2.50 115.31 119.99 2pk0 h LEU 67 Ca -0.49 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.33 2pk0 h LEU 67 Cb 1.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2pk0 h LEU 67 CO 0.52 0.76 -0.61 0.77 0.09 0.00 0.00 178.44 179.98 2pk0 h SER 68 N 1.26 0.00 0.09 -0.43 4.64 -1.98 0.67 113.55 117.79 2pk0 h SER 68 Ca 0.36 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.41 2pk0 h SER 68 Cb -0.09 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2pk0 h SER 68 CO -0.09 0.61 -1.09 -0.33 -0.87 0.00 0.00 176.83 175.06 2pk0 h GLU 69 N 0.00 0.64 -0.57 4.77 5.08 -1.93 -2.23 114.58 120.34 2pk0 h GLU 69 Ca -0.01 -0.73 -0.11 0.00 -1.00 0.00 0.00 59.36 57.51 2pk0 h GLU 69 Cb 1.10 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2pk0 h GLU 69 CO 0.08 1.31 -0.06 0.82 -1.00 0.00 0.00 179.01 180.16 2pk0 h ILE 70 N 0.34 1.27 -0.46 3.13 2.04 -1.26 -1.80 117.51 120.77 2pk0 h ILE 70 Ca -0.14 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 2pk0 h ILE 70 Cb 1.74 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 2pk0 h ILE 70 CO 0.21 0.43 0.24 -0.09 0.00 0.00 0.00 178.15 178.94 2pk0 h ARG 71 N 0.94 0.65 -0.50 2.37 2.43 -0.87 -0.89 114.38 118.51 2pk0 h ARG 71 Ca 0.16 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2pk0 h ARG 71 Cb 0.62 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2pk0 h ARG 71 CO 0.04 0.53 0.25 -0.44 -1.51 0.00 0.00 179.97 178.84 2pk0 h ASP 72 N 0.60 0.37 -0.95 -3.80 3.32 -1.28 -2.43 116.42 112.25 2pk0 h ASP 72 Ca 0.16 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2pk0 h ASP 72 Cb 0.08 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2pk0 h ASP 72 CO -0.02 0.26 0.62 -0.25 -1.72 0.00 0.00 179.24 178.12 2pk0 h TRP 73 N 0.50 1.16 -0.05 4.55 7.01 -0.94 -2.27 115.95 125.91 2pk0 h TRP 73 Ca 0.22 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2pk0 h TRP 73 Cb 0.12 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 26.79 2pk0 h TRP 73 CO -0.10 0.69 -0.02 0.52 -2.79 0.00 0.00 178.44 176.73 2pk0 h MET 74 N 1.22 0.10 -0.73 2.65 2.86 -0.79 -1.13 114.93 119.10 2pk0 h MET 74 Ca 0.37 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.97 2pk0 h MET 74 Cb -0.04 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 2pk0 h MET 74 CO -0.11 0.48 0.48 -0.07 1.06 0.00 0.00 176.91 178.75 2pk0 h LEU 75 N -0.29 0.85 0.09 1.22 3.38 -1.37 -2.20 115.31 116.98 2pk0 h LEU 75 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pk0 h LEU 75 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2pk0 h LEU 75 CO 0.01 0.62 -0.04 0.58 0.09 0.00 0.00 178.44 179.69 2pk0 h VAL 76 N 0.99 1.11 -0.52 1.22 2.07 -1.38 -3.21 116.25 116.55 2pk0 h VAL 76 Ca 0.27 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2pk0 h VAL 76 Cb -0.10 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2pk0 h VAL 76 CO -0.06 0.30 0.26 0.28 0.02 0.00 0.00 177.57 178.38 2pk0 h SER 77 N -0.82 0.64 -0.00 0.57 0.02 -1.15 -2.27 113.55 110.53 2pk0 h SER 77 Ca -0.01 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 2pk0 h SER 77 Cb 0.59 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2pk0 h SER 77 CO 0.02 0.54 -0.35 0.40 -1.14 0.00 0.00 176.83 176.30 2pk0 h ILE 78 N 0.72 1.29 -0.28 3.27 2.04 -1.53 -1.21 117.51 121.81 2pk0 h ILE 78 Ca 0.18 -1.46 -0.15 0.00 1.00 0.00 0.00 64.86 64.44 2pk0 h ILE 78 Cb 0.06 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2pk0 h ILE 78 CO -0.03 0.46 -0.42 -0.08 0.00 0.00 0.00 178.15 178.08 2pk0 h GLU 79 N 0.41 0.69 -0.07 2.37 4.57 -1.42 -0.37 114.58 120.75 2pk0 h GLU 79 Ca 0.05 -0.36 -0.13 0.00 -1.18 0.00 0.00 59.36 57.74 2pk0 h GLU 79 Cb 0.81 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 2pk0 h GLU 79 CO 0.07 0.97 -0.52 1.79 -1.18 0.00 0.00 179.01 180.14 2pk0 h THR 80 N 0.56 1.36 -0.08 0.32 1.35 -1.29 -2.53 112.91 112.61 2pk0 h THR 80 Ca 0.04 -1.79 -0.21 0.00 -0.55 0.00 0.00 66.41 63.90 2pk0 h THR 80 Cb 0.95 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2pk0 h THR 80 CO 0.09 0.53 -0.80 -0.08 -0.25 0.00 0.00 175.52 175.00 2pk0 h GLU 81 N 0.16 0.52 -0.31 4.72 4.57 -1.14 -1.58 114.58 121.51 2pk0 h GLU 81 Ca 0.00 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 57.78 2pk0 h GLU 81 Cb 0.98 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.62 2pk0 h GLU 81 CO 0.08 1.09 0.00 -0.97 -1.18 0.00 0.00 179.01 178.03 2pk0 h ASN 82 N 0.34 -0.11 1.48 1.04 -0.00 -0.91 -0.73 115.58 116.68 2pk0 h ASN 82 Ca -0.05 0.07 -0.07 0.00 -0.00 0.00 0.00 56.30 56.25 2pk0 h ASN 82 Cb 1.41 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 39.84 2pk0 h ASN 82 CO 0.15 -0.02 -0.34 0.08 -0.00 0.00 0.00 177.43 177.30 2pk0 h ARG 83 N 0.10 0.00 -0.32 6.67 0.11 -1.49 -2.20 114.38 117.25 2pk0 h ARG 83 Ca 0.15 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.07 2pk0 h ARG 83 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 2pk0 h ARG 83 CO -0.25 0.34 -0.43 -0.22 0.10 0.00 0.00 179.97 179.51 2pk0 h LYS 84 N 0.00 0.80 0.06 0.08 3.64 -0.92 -2.25 116.57 117.98 2pk0 h LYS 84 Ca -0.00 -0.44 -0.24 0.00 -1.27 0.00 0.00 60.65 58.70 2pk0 h LYS 84 Cb 1.17 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2pk0 h LYS 84 CO 0.04 1.07 -1.12 0.82 -2.27 0.00 0.00 179.45 178.00 2pk0 h ILE 85 N 0.65 1.61 -0.29 2.00 2.04 -1.15 -2.41 117.51 119.95 2pk0 h ILE 85 Ca 0.04 -3.26 -0.02 0.00 1.00 0.00 0.00 64.86 62.62 2pk0 h ILE 85 Cb 1.00 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 2pk0 h ILE 85 CO 0.10 0.94 0.10 0.22 0.00 0.00 0.00 178.15 179.51 2pk0 h TYR 86 N 0.03 0.46 -0.33 1.37 3.20 -1.42 0.20 116.97 120.48 2pk0 h TYR 86 Ca -0.07 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2pk0 h TYR 86 Cb 1.86 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.98 2pk0 h TYR 86 CO 0.03 0.47 0.18 1.49 -1.64 0.00 0.00 178.16 178.69 2pk0 h GLU 87 N 0.32 0.46 0.00 1.82 4.57 -1.45 -1.30 114.58 118.99 2pk0 h GLU 87 Ca 0.10 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2pk0 h GLU 87 Cb 0.22 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2pk0 h GLU 87 CO -0.01 0.38 -0.26 1.25 -1.18 0.00 0.00 179.01 179.20 2pk0 h LEU 88 N 0.41 0.00 -1.18 1.64 5.85 -1.32 -1.24 115.31 119.47 2pk0 h LEU 88 Ca 0.12 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2pk0 h LEU 88 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2pk0 h LEU 88 CO -0.02 0.26 -0.31 1.23 -0.34 0.00 0.00 178.44 179.26 2pk0 h GLY 89 N 0.80 0.19 0.72 3.75 0.00 0.24 -3.29 103.07 105.47 2pk0 h GLY 89 Ca -0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 2pk0 h GLY 89 CO 0.03 0.14 -0.83 1.46 0.00 0.00 0.00 176.54 177.35 2pk0 h GLN 90 N 0.16 0.32 0.00 4.80 1.08 -0.16 -3.18 115.11 118.12 2pk0 h GLN 90 Ca 0.02 -0.53 -0.06 0.00 -1.45 0.00 0.00 58.65 56.63 2pk0 h GLN 90 Cb 0.63 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2pk0 h GLN 90 CO 0.05 1.24 -0.31 0.66 -0.95 0.00 0.00 178.83 179.52 2pk0 h SER 91 N -0.33 0.00 -1.77 1.46 4.64 -1.44 -3.40 113.55 112.70 2pk0 h SER 91 Ca -0.14 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.68 2pk0 h SER 91 Cb 1.64 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.69 2pk0 h SER 91 CO 0.16 0.31 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.36 2pk0 s ASP 92 N -6.34 5.16 -1.30 4.97 -1.08 -1.24 -5.04 116.67 111.81 2pk0 s ASP 92 Ca 0.04 -0.59 -0.13 0.00 -0.52 0.00 0.00 52.55 51.36 2pk0 s ASP 92 Cb 0.07 -0.85 0.13 0.00 -1.46 0.00 0.00 42.92 40.81 2pk0 s ASP 92 CO 0.71 -0.42 1.82 -0.67 0.52 0.00 0.00 175.17 177.13 2pk0 n ASP 93 N -1.39 4.85 -4.30 -0.34 -0.08 -1.26 -4.77 116.55 109.26 2pk0 n ASP 93 Ca -0.01 -2.99 -0.46 0.00 -1.51 0.00 0.00 54.79 49.82 2pk0 n ASP 93 Cb 0.60 -1.58 -0.05 0.00 2.34 0.00 0.00 41.12 42.44 2pk0 n ASP 93 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2pk0 s TYR 94 N 1.84 3.37 -0.21 -0.67 4.12 -1.20 -5.03 117.35 119.56 2pk0 s TYR 94 Ca 0.44 -1.50 -0.29 0.00 0.02 0.00 0.00 57.07 55.75 2pk0 s TYR 94 Cb 0.07 -3.77 -0.03 0.00 -1.52 0.00 0.00 41.96 36.70 2pk0 s TYR 94 CO -0.00 -1.01 1.72 0.15 0.02 0.00 0.00 175.55 176.42 2pk0 s LYS 95 N 1.28 3.72 -0.71 -0.62 -0.14 -1.26 -3.59 119.74 118.42 2pk0 s LYS 95 Ca 0.06 1.76 -0.04 0.00 -1.36 0.00 0.00 55.97 56.38 2pk0 s LYS 95 Cb -0.26 -4.09 0.00 0.00 -1.68 0.00 0.00 37.83 31.80 2pk0 s LYS 95 CO 0.00 -1.39 0.62 0.41 -0.76 0.00 0.00 175.35 174.23 2pk0 n GLY 96 N 4.83 0.14 3.73 -3.33 0.00 -1.26 -3.91 105.19 105.38 2pk0 n GLY 96 Ca 0.20 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2pk0 n GLY 96 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pk0 s MET 97 N -5.60 4.48 0.00 1.61 0.00 -1.24 -3.75 119.30 114.80 2pk0 s MET 97 Ca 0.28 1.83 0.00 0.00 0.00 0.00 0.00 55.69 57.80 2pk0 s MET 97 Cb -0.12 -3.28 0.00 0.00 0.00 0.00 0.00 34.83 31.43 2pk0 s MET 97 CO 0.39 -0.14 0.00 0.41 0.00 0.00 0.00 175.02 175.68 2pk0 n GLY 98 N 2.55 0.53 3.09 2.11 0.00 -1.09 -4.72 105.19 107.66 2pk0 n GLY 98 Ca 0.06 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2pk0 n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pk0 s THR 99 N -2.00 0.11 0.80 2.61 -1.32 -0.16 0.15 115.64 115.83 2pk0 s THR 99 Ca 0.00 -0.90 -0.12 0.00 -1.21 0.00 0.00 61.69 59.46 2pk0 s THR 99 Cb 0.00 -0.61 0.07 0.00 -1.51 0.00 0.00 72.50 70.45 2pk0 s THR 99 CO 0.00 -0.50 1.11 0.42 -2.21 0.00 0.00 174.62 173.44 2pk0 s THR 100 N -1.93 2.88 -0.01 5.08 -4.23 0.49 -0.61 115.64 117.30 2pk0 s THR 100 Ca -0.11 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2pk0 s THR 100 Cb -0.05 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2pk0 s THR 100 CO -0.01 -0.37 0.05 -0.51 -0.54 0.00 0.00 174.62 173.24 2pk0 s ILE 101 N -3.25 0.03 -0.13 2.99 2.07 0.48 -3.23 121.20 120.16 2pk0 s ILE 101 Ca 0.61 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 2pk0 s ILE 101 Cb -0.14 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.32 2pk0 s ILE 101 CO 0.53 -0.12 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.72 2pk0 s GLU 102 N -0.35 1.93 -0.15 3.50 0.41 0.04 -1.57 118.70 122.50 2pk0 s GLU 102 Ca -0.04 -0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.11 2pk0 s GLU 102 Cb -0.03 -1.85 0.02 0.00 -1.78 0.00 0.00 34.13 30.49 2pk0 s GLU 102 CO 0.00 -0.24 -0.16 0.00 -0.49 0.00 0.00 175.26 174.37 2pk0 s ALA 103 N 1.57 1.95 -0.10 5.21 0.00 -0.56 -0.91 121.76 128.92 2pk0 s ALA 103 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2pk0 s ALA 103 Cb -0.13 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.96 2pk0 s ALA 103 CO -0.09 -0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.33 2pk0 s VAL 104 N 1.37 1.09 -0.01 0.00 1.01 0.17 -1.19 120.40 122.84 2pk0 s VAL 104 Ca 0.03 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2pk0 s VAL 104 Cb -0.13 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2pk0 s VAL 104 CO -0.10 0.37 -0.12 0.00 0.00 0.00 0.00 175.10 175.25 2pk0 s ALA 105 N 1.36 2.78 -0.32 5.51 0.00 -0.75 -0.30 121.76 130.04 2pk0 s ALA 105 Ca -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2pk0 s ALA 105 Cb -0.14 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.04 2pk0 s ALA 105 CO -0.05 0.58 0.05 0.42 0.00 0.00 0.00 175.76 176.76 2pk0 s ILE 106 N -0.86 3.39 -0.33 0.00 1.01 -0.94 -1.67 121.20 121.80 2pk0 s ILE 106 Ca 0.14 -1.22 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 2pk0 s ILE 106 Cb -0.11 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.48 2pk0 s ILE 106 CO 0.04 -0.12 0.10 -0.69 0.00 0.00 0.00 174.94 174.27 2pk0 s VAL 107 N 1.34 3.78 0.00 2.92 1.01 0.32 -4.22 120.40 125.54 2pk0 s VAL 107 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2pk0 s VAL 107 Cb -0.19 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2pk0 s VAL 107 CO 0.01 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2pk0 n GLY 108 N 4.81 3.46 0.73 4.51 0.00 -1.26 -0.88 105.19 116.56 2pk0 n GLY 108 Ca -0.13 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.20 2pk0 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pk0 n ASP 109 N 9.69 3.37 -4.91 1.61 5.68 -1.22 -4.54 116.55 126.24 2pk0 n ASP 109 Ca 0.00 -2.54 -0.32 0.00 -0.50 0.00 0.00 54.79 51.42 2pk0 n ASP 109 Cb 0.00 -0.39 -0.04 0.00 -1.14 0.00 0.00 41.12 39.55 2pk0 n ASP 109 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2pk0 s ASN 110 N -1.52 6.40 0.11 -1.12 0.01 -0.06 -0.44 114.94 118.33 2pk0 s ASN 110 Ca 0.32 0.38 0.08 0.00 -0.71 0.00 0.00 52.86 52.94 2pk0 s ASN 110 Cb 0.23 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.84 2pk0 s ASN 110 CO 0.11 0.19 -0.15 0.27 -1.51 0.00 0.00 177.10 176.01 2pk0 s ILE 111 N -1.45 3.03 -0.07 0.60 -4.36 -0.21 -0.52 121.20 118.22 2pk0 s ILE 111 Ca 0.33 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 2pk0 s ILE 111 Cb -0.13 -2.40 0.01 0.00 1.25 0.00 0.00 42.46 41.19 2pk0 s ILE 111 CO 0.23 0.10 -0.13 -0.51 0.24 0.00 0.00 174.94 174.87 2pk0 s ILE 112 N -1.18 1.21 0.19 8.37 2.07 -0.67 -1.60 121.20 129.61 2pk0 s ILE 112 Ca 0.19 -0.53 0.11 0.00 -1.41 0.00 0.00 60.65 59.02 2pk0 s ILE 112 Cb -0.11 -1.10 -0.04 0.00 0.13 0.00 0.00 42.46 41.34 2pk0 s ILE 112 CO 0.11 0.37 -0.23 0.72 -1.91 0.00 0.00 174.94 174.01 2pk0 s PHE 113 N 0.61 2.33 -0.02 3.50 -0.12 -0.65 -1.80 117.98 121.82 2pk0 s PHE 113 Ca -0.14 -0.35 0.06 0.00 -0.05 0.00 0.00 56.93 56.45 2pk0 s PHE 113 Cb -0.16 -1.15 -0.03 0.00 -0.63 0.00 0.00 43.02 41.06 2pk0 s PHE 113 CO 0.04 0.51 -0.19 0.00 -0.05 0.00 0.00 175.22 175.52 2pk0 s ALA 114 N -1.70 2.47 -0.05 1.99 0.00 -0.33 -2.28 121.76 121.86 2pk0 s ALA 114 Ca 0.21 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2pk0 s ALA 114 Cb -0.08 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.31 2pk0 s ALA 114 CO 0.10 0.55 0.11 -1.58 0.00 0.00 0.00 175.76 174.94 2pk0 s HIS 115 N -0.73 -0.10 -0.13 0.00 5.04 -0.40 -1.50 115.29 117.47 2pk0 s HIS 115 Ca 0.12 0.37 -0.04 0.00 -1.54 0.00 0.00 55.06 53.97 2pk0 s HIS 115 Cb -0.10 -0.15 0.06 0.00 0.04 0.00 0.00 32.58 32.43 2pk0 s HIS 115 CO 0.01 -0.15 0.19 0.08 -2.34 0.00 0.00 174.74 172.53 2pk0 s VAL 116 N 1.21 -0.29 0.00 0.89 1.01 -0.61 -1.17 120.40 121.43 2pk0 s VAL 116 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2pk0 s VAL 116 Cb -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2pk0 s VAL 116 CO -0.05 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2pk0 n GLY 117 N 5.32 0.12 0.38 4.51 0.00 -1.26 -0.39 105.19 113.88 2pk0 n GLY 117 Ca -0.05 -2.03 0.06 0.00 0.00 0.00 0.00 46.02 44.00 2pk0 n GLY 117 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pk0 n ASP 118 N 0.00 2.77 -4.78 1.61 5.75 -1.26 -0.63 116.55 120.01 2pk0 n ASP 118 Ca 0.00 -2.55 -0.31 0.00 -0.01 0.00 0.00 54.79 51.92 2pk0 n ASP 118 Cb 0.00 -0.31 0.09 0.00 -1.03 0.00 0.00 41.12 39.87 2pk0 n ASP 118 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2pk0 s SER 119 N -1.75 4.56 0.11 -1.12 0.01 -1.26 -4.31 113.70 109.93 2pk0 s SER 119 Ca 0.24 1.62 0.03 0.00 1.31 0.00 0.00 55.95 59.16 2pk0 s SER 119 Cb 0.19 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2pk0 s SER 119 CO 0.06 -1.97 -0.09 -0.13 0.41 0.00 0.00 173.24 171.52 2pk0 s ARG 120 N -4.99 0.88 -0.05 12.44 0.52 0.10 -4.86 118.95 122.99 2pk0 s ARG 120 Ca 0.61 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 2pk0 s ARG 120 Cb -0.16 -0.47 0.02 0.00 0.52 0.00 0.00 34.95 34.85 2pk0 s ARG 120 CO 0.56 0.06 -0.08 0.42 0.02 0.00 0.00 175.30 176.28 2pk0 s ILE 121 N -2.84 0.79 0.13 1.52 1.01 -1.26 -0.89 121.20 119.66 2pk0 s ILE 121 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 2pk0 s ILE 121 Cb -0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2pk0 s ILE 121 CO -0.01 0.28 0.03 -0.83 0.00 0.00 0.00 174.94 174.41 2pk0 s GLY 122 N 0.82 0.97 -0.08 6.18 0.00 -0.18 -1.31 107.32 113.72 2pk0 s GLY 122 Ca -0.12 -1.46 0.04 0.00 0.00 0.00 0.00 44.72 43.18 2pk0 s GLY 122 CO 0.01 -1.40 -0.21 -0.42 0.00 0.00 0.00 173.10 171.08 2pk0 s ILE 123 N -3.92 2.37 -0.29 0.90 1.01 -0.43 -0.27 121.20 120.56 2pk0 s ILE 123 Ca 0.21 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 2pk0 s ILE 123 Cb 0.07 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2pk0 s ILE 123 CO 0.00 0.56 0.14 -0.69 0.00 0.00 0.00 174.94 174.96 2pk0 s VAL 124 N -0.02 4.66 -0.04 2.92 1.01 0.22 0.65 120.40 129.79 2pk0 s VAL 124 Ca -0.07 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2pk0 s VAL 124 Cb -0.15 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2pk0 s VAL 124 CO 0.05 0.15 -0.08 -0.60 0.00 0.00 0.00 175.10 174.61 2pk0 s ARG 125 N 1.64 1.05 -1.49 2.72 3.52 -0.22 -1.87 118.95 124.30 2pk0 s ARG 125 Ca 0.05 -0.27 -0.02 0.00 -0.13 0.00 0.00 55.73 55.36 2pk0 s ARG 125 Cb -0.16 -0.96 0.02 0.00 -1.56 0.00 0.00 34.95 32.28 2pk0 s ARG 125 CO 0.06 0.05 0.31 1.04 -0.81 0.00 0.00 175.30 175.96 2pk0 n GLN 126 N 3.55 -2.46 -1.07 5.12 1.13 -1.26 -0.30 117.38 122.10 2pk0 n GLN 126 Ca -0.21 0.29 -0.02 0.00 -1.94 0.00 0.00 57.00 55.12 2pk0 n GLN 126 Cb 0.53 -4.27 -0.01 0.00 0.11 0.00 0.00 30.24 26.60 2pk0 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pk0 n GLY 127 N -2.12 0.49 3.13 1.08 0.00 -1.26 -5.02 105.19 101.50 2pk0 n GLY 127 Ca -0.28 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2pk0 n GLY 127 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pk0 s GLU 128 N -1.38 2.00 -0.23 1.61 2.12 0.59 -4.87 118.70 118.53 2pk0 s GLU 128 Ca 0.00 -0.63 -0.22 0.00 0.36 0.00 0.00 54.97 54.48 2pk0 s GLU 128 Cb 0.00 -1.67 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 2pk0 s GLU 128 CO 0.00 0.20 0.71 -0.47 -0.54 0.00 0.00 175.26 175.16 2pk0 s TYR 129 N 0.19 3.32 -0.31 5.30 5.04 -1.26 -1.06 117.35 128.57 2pk0 s TYR 129 Ca -0.08 0.97 -0.08 0.00 -2.44 0.00 0.00 57.07 55.44 2pk0 s TYR 129 Cb -0.13 -2.91 0.01 0.00 0.35 0.00 0.00 41.96 39.27 2pk0 s TYR 129 CO 0.04 -0.32 0.11 -1.01 -1.34 0.00 0.00 175.55 173.03 2pk0 s HIS 130 N 2.48 3.17 0.09 4.97 3.76 0.21 -4.94 115.29 125.03 2pk0 s HIS 130 Ca 0.30 -0.87 -0.31 0.00 -0.15 0.00 0.00 55.06 54.03 2pk0 s HIS 130 Cb -0.16 -2.30 -0.07 0.00 1.11 0.00 0.00 32.58 31.17 2pk0 s HIS 130 CO 0.09 -0.55 1.26 -1.17 -0.85 0.00 0.00 174.74 173.52 2pk0 s LEU 131 N 1.53 4.38 -0.11 0.89 2.96 -1.26 -1.32 118.68 125.76 2pk0 s LEU 131 Ca 0.03 2.13 0.14 0.00 -0.22 0.00 0.00 54.13 56.22 2pk0 s LEU 131 Cb -0.17 -3.58 -0.21 0.00 0.50 0.00 0.00 46.19 42.72 2pk0 s LEU 131 CO 0.04 -0.52 0.16 0.18 -1.32 0.00 0.00 176.35 174.89 2pk0 n LEU 132 N 3.80 0.00 -4.75 -0.68 4.77 -0.43 -4.97 117.00 114.74 2pk0 n LEU 132 Ca 0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.85 2pk0 n LEU 132 Cb 0.45 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2pk0 n LEU 132 CO 0.56 0.24 -0.20 0.42 -1.33 0.00 0.00 177.39 177.09 2pk0 s THR 133 N -2.63 3.28 -0.09 -5.08 -4.23 -1.24 -5.01 115.64 100.64 2pk0 s THR 133 Ca -0.07 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2pk0 s THR 133 Cb 0.07 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2pk0 s THR 133 CO 0.64 -0.22 -0.22 -0.55 -0.54 0.00 0.00 174.62 173.73 2pk0 s SER 134 N -3.84 2.83 0.23 3.99 0.15 -1.26 -4.93 113.70 110.86 2pk0 s SER 134 Ca 0.37 -0.50 -0.32 0.00 0.70 0.00 0.00 55.95 56.20 2pk0 s SER 134 Cb -0.04 -1.22 -0.12 0.00 -1.71 0.00 0.00 66.02 62.93 2pk0 s SER 134 CO 0.23 0.15 1.70 0.47 1.20 0.00 0.00 173.24 176.98 2pk0 n ASP 135 N 3.50 3.97 -4.51 5.45 9.92 -1.26 -4.90 116.55 128.71 2pk0 n ASP 135 Ca -0.19 1.08 -0.43 0.00 -0.53 0.00 0.00 54.79 54.72 2pk0 n ASP 135 Cb 0.53 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.41 2pk0 n ASP 135 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2pk0 s HIS 136 N 0.90 2.95 0.24 1.24 3.76 0.20 -4.78 115.29 119.80 2pk0 s HIS 136 Ca 0.73 -1.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 2pk0 s HIS 136 Cb -0.50 -4.50 -0.05 0.00 1.11 0.00 0.00 32.58 28.64 2pk0 s HIS 136 CO 0.36 -1.67 0.10 -1.54 -0.85 0.00 0.00 174.74 171.14 2pk0 s SER 137 N 4.01 1.01 0.07 1.40 1.04 -1.26 -1.20 113.70 118.77 2pk0 s SER 137 Ca 0.42 -1.37 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 2pk0 s SER 137 Cb -0.01 0.20 -0.12 0.00 0.10 0.00 0.00 66.02 66.18 2pk0 s SER 137 CO -0.05 -0.74 1.55 0.25 0.98 0.00 0.00 173.24 175.23 2pk0 h LEU 138 N 2.45 0.19 -1.51 2.42 6.46 -1.60 -2.98 115.31 120.75 2pk0 h LEU 138 Ca -0.38 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.11 2pk0 h LEU 138 Cb 1.24 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 2pk0 h LEU 138 CO 0.60 0.38 -0.07 -0.37 -0.62 0.00 0.00 178.44 178.35 2pk0 h VAL 139 N 0.00 1.15 0.00 1.05 -1.51 -1.97 -1.77 116.25 113.20 2pk0 h VAL 139 Ca 0.04 -0.61 -0.10 0.00 -1.23 0.00 0.00 66.70 64.80 2pk0 h VAL 139 Cb 0.26 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2pk0 h VAL 139 CO 0.00 0.19 -0.48 0.78 -1.23 0.00 0.00 177.57 176.83 2pk0 h ASN 140 N 0.22 0.00 -0.39 4.19 2.35 -1.85 -2.44 115.58 117.66 2pk0 h ASN 140 Ca 0.05 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 2pk0 h ASN 140 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2pk0 h ASN 140 CO 0.01 0.48 -0.20 -0.33 -1.65 0.00 0.00 177.43 175.75 2pk0 h GLU 141 N 0.00 0.82 -0.50 0.81 5.08 -1.18 -2.43 114.58 117.18 2pk0 h GLU 141 Ca -0.00 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2pk0 h GLU 141 Cb 0.97 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2pk0 h GLU 141 CO 0.06 0.99 0.23 -0.07 -1.00 0.00 0.00 179.01 179.22 2pk0 h LEU 142 N 0.62 0.63 0.14 1.33 3.38 -1.32 -0.98 115.31 119.10 2pk0 h LEU 142 Ca 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2pk0 h LEU 142 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2pk0 h LEU 142 CO 0.06 0.55 -0.07 0.58 0.09 0.00 0.00 178.44 179.65 2pk0 h VAL 143 N 0.70 1.02 -0.13 1.22 2.07 -1.36 0.36 116.25 120.13 2pk0 h VAL 143 Ca 0.17 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2pk0 h VAL 143 Cb 0.10 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2pk0 h VAL 143 CO -0.02 0.19 0.07 0.50 0.02 0.00 0.00 177.57 178.33 2pk0 h LYS 144 N -0.58 0.17 -0.01 1.57 3.64 -1.21 0.70 116.57 120.85 2pk0 h LYS 144 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2pk0 h LYS 144 Cb 0.45 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2pk0 h LYS 144 CO 0.03 0.13 -0.01 0.00 -2.27 0.00 0.00 179.45 177.33 2pk0 n ALA 145 N -2.52 2.63 -2.61 5.00 0.00 -0.39 -4.93 120.51 117.69 2pk0 n ALA 145 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 2pk0 n ALA 145 Cb 0.09 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.23 2pk0 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pk0 n GLY 146 N 1.11 0.78 0.01 0.00 0.00 0.24 -4.97 105.19 102.36 2pk0 n GLY 146 Ca 0.21 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.67 2pk0 n GLY 146 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pk0 n GLN 147 N -1.00 5.60 -3.94 1.61 6.02 0.12 -5.00 117.38 120.80 2pk0 n GLN 147 Ca 0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 2pk0 n GLN 147 Cb 0.51 -0.67 -0.10 0.00 1.02 0.00 0.00 30.24 30.99 2pk0 n GLN 147 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pk0 s LEU 148 N -2.05 1.93 0.55 1.08 1.43 -0.91 -4.92 118.68 115.79 2pk0 s LEU 148 Ca 0.01 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 2pk0 s LEU 148 Cb 0.02 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.60 2pk0 s LEU 148 CO 0.13 -0.37 0.92 0.42 0.23 0.00 0.00 176.35 177.68 2pk0 s THR 149 N -1.70 4.77 0.34 5.49 -4.23 -1.26 -4.29 115.64 114.76 2pk0 s THR 149 Ca -0.13 0.65 0.05 0.00 -1.18 0.00 0.00 61.69 61.08 2pk0 s THR 149 Cb -0.07 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.22 2pk0 s THR 149 CO -0.01 -0.97 1.91 -0.08 -0.54 0.00 0.00 174.62 174.93 2pk0 h GLU 150 N 0.06 0.80 -0.56 3.99 4.81 -1.98 -1.66 114.58 120.03 2pk0 h GLU 150 Ca -0.45 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2pk0 h GLU 150 Cb 1.19 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2pk0 h GLU 150 CO 0.62 0.53 0.02 1.49 -0.73 0.00 0.00 179.01 180.94 2pk0 h GLU 151 N 0.82 0.98 -0.63 1.92 4.81 -2.00 -2.67 114.58 117.82 2pk0 h GLU 151 Ca 0.38 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2pk0 h GLU 151 Cb 0.39 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2pk0 h GLU 151 CO -0.15 0.97 0.22 0.93 -0.73 0.00 0.00 179.01 180.25 2pk0 h GLU 152 N 0.87 0.95 0.00 1.92 5.08 -1.72 -2.87 114.58 118.80 2pk0 h GLU 152 Ca 0.16 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2pk0 h GLU 152 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2pk0 h GLU 152 CO 0.02 0.79 -0.47 0.00 -1.00 0.00 0.00 179.01 178.36 2pk0 h ALA 153 N 1.32 1.07 0.00 3.43 0.00 -1.24 -2.45 119.26 121.39 2pk0 h ALA 153 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2pk0 h ALA 153 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pk0 h ALA 153 CO -0.01 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 2pk0 h ALA 154 N 1.53 1.16 -0.14 0.00 0.00 -1.24 -2.93 119.26 117.65 2pk0 h ALA 154 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2pk0 h ALA 154 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2pk0 h ALA 154 CO 0.06 0.27 -0.01 -1.13 0.00 0.00 0.00 179.25 178.45 2pk0 n SER 155 N -3.59 3.15 -4.70 0.00 3.41 -1.08 -5.01 113.62 105.80 2pk0 n SER 155 Ca -0.01 -3.07 -0.42 0.00 -0.26 0.00 0.00 58.87 55.11 2pk0 n SER 155 Cb 0.36 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2pk0 n SER 155 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2pk0 s HIS 156 N -2.87 2.75 -0.89 7.33 2.46 -0.94 -4.92 115.29 118.20 2pk0 s HIS 156 Ca 0.38 0.46 0.24 0.00 0.47 0.00 0.00 55.06 56.61 2pk0 s HIS 156 Cb 0.32 -3.96 0.96 0.00 -0.13 0.00 0.00 32.58 29.76 2pk0 s HIS 156 CO 0.06 -3.69 1.74 -2.30 -2.47 0.00 0.00 174.74 168.08 2pk0 n PRO 157 N 4.74 0.07 -3.06 2.88 -0.02 -1.26 -4.86 135.00 133.49 2pk0 n PRO 157 Ca 0.15 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 2pk0 n PRO 157 Cb 0.39 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 2pk0 n PRO 157 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2pk0 s GLN 158 N -3.05 3.70 0.59 -0.52 -0.21 -1.26 -5.08 119.66 113.83 2pk0 s GLN 158 Ca 0.10 0.24 -0.16 0.00 0.02 0.00 0.00 55.36 55.56 2pk0 s GLN 158 Cb 0.14 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 2pk0 s GLN 158 CO 0.45 0.07 1.07 -1.59 -2.12 0.00 0.00 175.29 173.16 2pk0 s LYS 159 N -3.77 3.27 -0.18 2.91 0.00 -1.26 -4.93 119.74 115.78 2pk0 s LYS 159 Ca 0.48 1.29 -0.29 0.00 0.00 0.00 0.00 55.97 57.45 2pk0 s LYS 159 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 37.83 35.65 2pk0 s LYS 159 CO 0.31 -0.86 2.02 -0.80 0.00 0.00 0.00 175.35 176.02 2pk0 s ASN 160 N -2.57 5.87 -0.27 0.03 0.01 -1.26 -4.97 114.94 111.77 2pk0 s ASN 160 Ca 0.65 1.95 -0.20 0.00 -0.71 0.00 0.00 52.86 54.55 2pk0 s ASN 160 Cb -0.18 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2pk0 s ASN 160 CO 0.35 -1.62 0.63 -0.63 -1.51 0.00 0.00 177.10 174.32 2pk0 s ILE 161 N 6.82 4.96 0.32 0.60 1.09 -1.26 -4.99 121.20 128.74 2pk0 s ILE 161 Ca 0.91 1.05 -0.28 0.00 -1.10 0.00 0.00 60.65 61.23 2pk0 s ILE 161 Cb -0.33 -3.96 -0.09 0.00 -1.06 0.00 0.00 42.46 37.02 2pk0 s ILE 161 CO 0.35 -0.03 1.14 -0.51 -0.10 0.00 0.00 174.94 175.80 2pk0 s ILE 162 N 2.55 3.31 -0.35 2.92 2.07 -1.26 -1.50 121.20 128.94 2pk0 s ILE 162 Ca 0.26 1.25 0.18 0.00 -1.41 0.00 0.00 60.65 60.93 2pk0 s ILE 162 Cb -0.15 -3.77 -0.25 0.00 0.13 0.00 0.00 42.46 38.42 2pk0 s ILE 162 CO 0.10 0.24 0.54 0.35 -1.91 0.00 0.00 174.94 174.26 2pk0 n THR 163 N 0.80 0.00 -3.74 4.00 -2.24 -0.34 -4.86 114.28 107.90 2pk0 n THR 163 Ca 0.01 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2pk0 n THR 163 Cb 0.45 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 69.04 2pk0 n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pk0 s GLN 164 N -3.04 0.74 0.13 -0.78 -2.07 -1.26 -5.03 119.66 108.35 2pk0 s GLN 164 Ca -0.01 -0.24 -0.14 0.00 -1.82 0.00 0.00 55.36 53.14 2pk0 s GLN 164 Cb 0.12 0.33 0.02 0.00 -1.09 0.00 0.00 33.01 32.40 2pk0 s GLN 164 CO 0.75 -0.22 0.37 -1.54 -1.32 0.00 0.00 175.29 173.33 2pk0 s SER 165 N -1.53 -0.16 -0.02 12.60 1.04 -1.26 -4.00 113.70 120.37 2pk0 s SER 165 Ca -0.11 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 2pk0 s SER 165 Cb -0.04 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2pk0 s SER 165 CO 0.03 -0.86 1.10 -0.63 0.98 0.00 0.00 173.24 173.85 2pk0 s ILE 166 N -3.84 4.47 0.00 -1.02 1.01 0.22 -3.65 121.20 118.39 2pk0 s ILE 166 Ca 0.05 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.48 2pk0 s ILE 166 Cb 0.02 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2pk0 s ILE 166 CO -0.10 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2pk0 n GLY 167 N 3.15 1.87 3.72 6.18 0.00 -1.22 -0.99 105.19 117.90 2pk0 n GLY 167 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2pk0 n GLY 167 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pk0 s GLN 168 N -0.40 2.41 0.04 1.61 -2.07 -1.24 -4.24 119.66 115.78 2pk0 s GLN 168 Ca 0.00 -1.45 -0.22 0.00 -1.82 0.00 0.00 55.36 51.87 2pk0 s GLN 168 Cb 0.00 -2.22 -0.15 0.00 -1.09 0.00 0.00 33.01 29.55 2pk0 s GLN 168 CO 0.00 0.22 1.46 0.00 -1.32 0.00 0.00 175.29 175.66 2pk0 h ALA 169 N 1.64 0.13 -2.38 2.60 0.00 -1.93 -3.44 119.26 115.88 2pk0 h ALA 169 Ca -0.44 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 53.79 2pk0 h ALA 169 Cb 1.25 -0.03 0.07 0.00 0.00 0.00 0.00 17.79 19.08 2pk0 h ALA 169 CO 0.62 -0.19 0.38 -0.80 0.00 0.00 0.00 179.25 179.26 2pk0 s ASN 170 N -5.68 5.64 0.60 0.00 0.01 -1.26 -5.02 114.94 109.23 2pk0 s ASN 170 Ca -0.14 1.86 -0.20 0.00 -0.71 0.00 0.00 52.86 53.67 2pk0 s ASN 170 Cb 0.05 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 2pk0 s ASN 170 CO 0.70 -1.27 1.31 -2.84 -1.51 0.00 0.00 177.10 173.49 2pk0 s PRO 171 N -4.07 2.83 0.34 -0.60 0.02 -1.26 -5.00 135.00 127.26 2pk0 s PRO 171 Ca 0.64 2.10 -0.14 0.00 0.02 0.00 0.00 61.00 63.62 2pk0 s PRO 171 Cb -0.17 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.25 2pk0 s PRO 171 CO 0.38 -1.39 0.74 0.14 -0.33 0.00 0.00 177.00 176.54 2pk0 s VAL 172 N -1.38 4.70 -0.68 3.83 -7.23 -1.26 -5.04 120.40 113.33 2pk0 s VAL 172 Ca 0.78 0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 61.83 2pk0 s VAL 172 Cb -0.38 -3.63 0.17 0.00 0.56 0.00 0.00 36.38 33.11 2pk0 s VAL 172 CO 0.42 -0.24 0.51 -1.61 -0.31 0.00 0.00 175.10 173.86 2pk0 s GLU 173 N -3.13 2.68 0.61 4.82 2.02 -1.26 -4.99 118.70 119.45 2pk0 s GLU 173 Ca 0.54 -2.76 -0.16 0.00 0.02 0.00 0.00 54.97 52.60 2pk0 s GLU 173 Cb -0.10 -3.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 2pk0 s GLU 173 CO 0.20 -1.20 1.09 -1.25 0.02 0.00 0.00 175.26 174.12 2pk0 s PRO 174 N -0.47 3.10 -0.09 0.39 0.04 -1.26 -4.96 135.00 131.76 2pk0 s PRO 174 Ca 0.20 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 2pk0 s PRO 174 Cb -0.17 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2pk0 s PRO 174 CO -0.06 -1.00 0.39 -0.51 0.04 0.00 0.00 177.00 175.86 2pk0 s ASP 175 N -2.56 6.66 0.19 6.66 1.01 -0.32 -4.86 116.67 123.45 2pk0 s ASP 175 Ca 0.66 0.78 0.07 0.00 0.71 0.00 0.00 52.55 54.77 2pk0 s ASP 175 Cb -0.19 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 2pk0 s ASP 175 CO 0.37 0.16 0.03 -0.76 0.21 0.00 0.00 175.17 175.17 2pk0 s LEU 176 N -0.08 3.38 -0.28 1.23 1.43 -1.26 -1.27 118.68 121.84 2pk0 s LEU 176 Ca 0.22 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 2pk0 s LEU 176 Cb -0.15 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.15 2pk0 s LEU 176 CO 0.10 0.07 0.74 -0.83 0.23 0.00 0.00 176.35 176.66 2pk0 s GLY 177 N -3.11 -0.52 -0.16 -3.19 0.00 -0.97 -4.97 107.32 94.39 2pk0 s GLY 177 Ca 0.29 2.26 -0.05 0.00 0.00 0.00 0.00 44.72 47.22 2pk0 s GLY 177 CO 0.20 2.02 0.02 0.14 0.00 0.00 0.00 173.10 175.48 2pk0 s VAL 178 N 0.85 4.47 0.04 1.40 1.01 -1.26 -1.63 120.40 125.27 2pk0 s VAL 178 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2pk0 s VAL 178 Cb -0.05 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2pk0 s VAL 178 CO -0.08 0.50 -0.04 -1.00 0.00 0.00 0.00 175.10 174.48 2pk0 s HIS 179 N 0.13 0.47 -0.09 5.22 3.76 -0.63 -5.00 115.29 119.15 2pk0 s HIS 179 Ca 0.03 -0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 54.10 2pk0 s HIS 179 Cb -0.13 -0.31 -0.05 0.00 1.11 0.00 0.00 32.58 33.21 2pk0 s HIS 179 CO 0.01 -0.20 0.43 -1.17 -0.85 0.00 0.00 174.74 172.96 2pk0 s LEU 180 N -1.93 4.32 -0.20 0.89 2.96 -1.26 -1.05 118.68 122.41 2pk0 s LEU 180 Ca -0.07 0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 54.53 2pk0 s LEU 180 Cb -0.05 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 2pk0 s LEU 180 CO -0.03 0.10 0.19 -0.76 -1.32 0.00 0.00 176.35 174.53 2pk0 s LEU 181 N 0.15 4.18 0.43 -0.68 1.02 0.42 -4.98 118.68 119.23 2pk0 s LEU 181 Ca 0.24 0.27 -0.00 0.00 0.02 0.00 0.00 54.13 54.65 2pk0 s LEU 181 Cb -0.15 -2.18 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 2pk0 s LEU 181 CO 0.10 0.11 0.65 -1.61 0.02 0.00 0.00 176.35 175.62 2pk0 s GLU 182 N 0.66 3.24 0.16 1.70 2.02 -1.26 -4.87 118.70 120.34 2pk0 s GLU 182 Ca 0.10 -0.35 -0.31 0.00 0.02 0.00 0.00 54.97 54.42 2pk0 s GLU 182 Cb -0.12 -2.56 -0.11 0.00 0.10 0.00 0.00 34.13 31.44 2pk0 s GLU 182 CO 0.02 -0.15 1.70 -1.21 0.02 0.00 0.00 175.26 175.64 2pk0 s GLU 183 N -4.51 4.16 0.00 1.61 2.02 -1.26 -2.12 118.70 118.60 2pk0 s GLU 183 Ca 0.46 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.95 2pk0 s GLU 183 Cb -0.10 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2pk0 s GLU 183 CO 0.38 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2pk0 n GLY 184 N 3.99 0.78 3.75 -1.39 0.00 -0.03 -5.02 105.19 107.26 2pk0 n GLY 184 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2pk0 n GLY 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pk0 s ASP 185 N -2.63 4.34 -0.15 1.61 1.01 -0.90 -4.79 116.67 115.16 2pk0 s ASP 185 Ca 0.00 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.21 2pk0 s ASP 185 Cb 0.00 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.42 2pk0 s ASP 185 CO 0.00 -2.15 -0.10 -0.31 0.21 0.00 0.00 175.17 172.82 2pk0 s TYR 186 N -2.70 1.93 0.10 4.23 2.02 -0.78 -2.11 117.35 120.03 2pk0 s TYR 186 Ca 0.64 -1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 2pk0 s TYR 186 Cb -0.19 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.86 2pk0 s TYR 186 CO 0.53 -0.63 1.04 -1.17 -1.57 0.00 0.00 175.55 173.76 2pk0 s LEU 187 N 1.56 4.45 -0.27 -1.29 2.96 0.27 -0.61 118.68 125.74 2pk0 s LEU 187 Ca 0.03 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 2pk0 s LEU 187 Cb -0.14 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.04 2pk0 s LEU 187 CO -0.09 -0.22 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.98 2pk0 s VAL 188 N 0.33 1.90 -0.22 1.68 1.01 0.62 -1.41 120.40 124.32 2pk0 s VAL 188 Ca 0.51 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 2pk0 s VAL 188 Cb -0.26 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2pk0 s VAL 188 CO 0.31 -0.21 0.05 -0.69 0.00 0.00 0.00 175.10 174.56 2pk0 s VAL 189 N 1.19 4.36 0.07 2.92 1.01 0.52 -1.01 120.40 129.46 2pk0 s VAL 189 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2pk0 s VAL 189 Cb -0.19 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2pk0 s VAL 189 CO -0.07 0.39 0.17 0.54 0.00 0.00 0.00 175.10 176.12 2pk0 s ASN 190 N 1.18 0.13 0.66 3.32 2.20 -0.07 0.32 114.94 122.68 2pk0 s ASN 190 Ca 0.04 -0.60 -0.04 0.00 -0.94 0.00 0.00 52.86 51.32 2pk0 s ASN 190 Cb -0.14 0.31 0.06 0.00 -2.00 0.00 0.00 41.25 39.47 2pk0 s ASN 190 CO 0.03 -0.67 0.94 -0.94 -2.94 0.00 0.00 177.10 173.53 2pk0 s SER 191 N -2.64 4.92 0.58 3.54 1.04 -0.75 0.01 113.70 120.41 2pk0 s SER 191 Ca 0.02 0.29 0.38 0.00 0.48 0.00 0.00 55.95 57.12 2pk0 s SER 191 Cb 0.03 -0.99 1.84 0.00 0.10 0.00 0.00 66.02 67.00 2pk0 s SER 191 CO -0.09 -1.48 2.14 -2.24 0.98 0.00 0.00 173.24 172.55 2pk0 h ASP 192 N -0.41 0.00 0.33 7.02 2.03 -1.85 -2.72 116.42 120.82 2pk0 h ASP 192 Ca -0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.85 2pk0 h ASP 192 Cb 1.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2pk0 h ASP 192 CO 0.57 0.00 -0.06 1.23 -1.03 0.00 0.00 179.24 179.95 2pk0 h GLY 193 N 1.03 0.00 0.13 7.15 0.00 -1.89 0.30 103.07 109.79 2pk0 h GLY 193 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2pk0 h GLY 193 CO 0.00 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.48 2pk0 h LEU 194 N 0.00 -0.15 -0.24 3.11 5.85 -1.73 -3.35 115.31 118.81 2pk0 h LEU 194 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pk0 h LEU 194 Cb 0.23 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2pk0 h LEU 194 CO 0.01 0.31 0.00 0.35 -0.34 0.00 0.00 178.44 178.76 2pk0 n THR 195 N -4.76 0.64 0.14 1.05 -2.24 -1.01 -0.83 114.28 107.27 2pk0 n THR 195 Ca -0.02 0.02 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2pk0 n THR 195 Cb 0.07 -0.83 0.11 0.00 -2.10 0.00 0.00 70.33 67.58 2pk0 n THR 195 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2pk0 h ASN 196 N 0.00 0.00 0.22 3.42 2.35 -0.61 -3.35 115.58 117.61 2pk0 h ASN 196 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2pk0 h ASN 196 Cb 0.49 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.81 2pk0 h ASN 196 CO 0.00 0.57 -2.07 0.23 -1.65 0.00 0.00 177.43 174.51 2pk0 n MET 197 N -3.40 0.67 -4.84 0.81 2.81 -0.74 -4.96 117.12 107.46 2pk0 n MET 197 Ca 0.01 0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.73 2pk0 n MET 197 Cb 0.69 -1.65 -0.13 0.00 -0.71 0.00 0.00 33.22 31.42 2pk0 n MET 197 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pk0 s LEU 198 N -5.91 2.62 0.70 4.03 1.02 -0.01 -4.89 118.68 116.25 2pk0 s LEU 198 Ca -0.10 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.62 2pk0 s LEU 198 Cb 0.07 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.77 2pk0 s LEU 198 CO 0.81 0.30 1.07 -0.94 0.02 0.00 0.00 176.35 177.62 2pk0 s SER 199 N -1.02 5.40 0.19 2.29 1.04 -1.26 -4.50 113.70 115.83 2pk0 s SER 199 Ca 0.13 1.34 -0.11 0.00 0.48 0.00 0.00 55.95 57.79 2pk0 s SER 199 Cb -0.10 -2.20 0.19 0.00 0.10 0.00 0.00 66.02 64.01 2pk0 s SER 199 CO 0.02 -1.40 1.77 0.78 0.98 0.00 0.00 173.24 175.40 2pk0 h ASN 200 N -0.69 0.34 -0.31 7.02 2.35 -1.98 -2.04 115.58 120.27 2pk0 h ASN 200 Ca -0.45 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.29 2pk0 h ASN 200 Cb 1.23 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 2pk0 h ASN 200 CO 0.61 0.23 0.02 0.00 -1.65 0.00 0.00 177.43 176.64 2pk0 h ALA 201 N 1.33 1.29 -0.83 -0.83 0.00 -1.95 -0.39 119.26 117.88 2pk0 h ALA 201 Ca 0.26 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2pk0 h ALA 201 Cb 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2pk0 h ALA 201 CO -0.21 0.49 0.51 -0.44 0.00 0.00 0.00 179.25 179.59 2pk0 h ASP 202 N 0.60 0.79 -0.14 0.00 3.32 -1.76 0.86 116.42 120.09 2pk0 h ASP 202 Ca 0.13 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2pk0 h ASP 202 Cb 0.35 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2pk0 h ASP 202 CO 0.01 0.50 -0.06 0.40 -1.72 0.00 0.00 179.24 178.37 2pk0 h ILE 203 N 0.92 1.31 -0.83 0.35 2.04 -0.80 -2.56 117.51 117.94 2pk0 h ILE 203 Ca 0.37 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 65.25 2pk0 h ILE 203 Cb 0.19 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2pk0 h ILE 203 CO -0.18 0.31 0.54 0.00 0.00 0.00 0.00 178.15 178.82 2pk0 h ALA 204 N 0.67 1.74 -0.48 1.87 0.00 -0.80 -2.10 119.26 120.17 2pk0 h ALA 204 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2pk0 h ALA 204 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2pk0 h ALA 204 CO 0.02 0.08 0.07 1.15 0.00 0.00 0.00 179.25 180.57 2pk0 h THR 205 N 0.76 1.25 -0.49 0.00 2.02 -0.66 -2.85 112.91 112.94 2pk0 h THR 205 Ca 0.38 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 2pk0 h THR 205 Cb 0.47 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2pk0 h THR 205 CO -0.15 0.33 -0.05 0.58 0.37 0.00 0.00 175.52 176.60 2pk0 h VAL 206 N 0.68 1.26 -0.00 3.16 2.07 -0.98 -2.75 116.25 119.69 2pk0 h VAL 206 Ca 0.14 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2pk0 h VAL 206 Cb 0.41 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2pk0 h VAL 206 CO 0.01 0.39 -0.07 0.18 0.02 0.00 0.00 177.57 178.10 2pk0 n LEU 207 N -4.18 0.11 0.00 2.57 4.77 -1.01 -3.45 117.00 115.82 2pk0 n LEU 207 Ca 0.02 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2pk0 n LEU 207 Cb 0.34 -0.39 0.49 0.00 -2.33 0.00 0.00 43.42 41.53 2pk0 n LEU 207 CO 0.43 0.03 0.78 1.07 -1.33 0.00 0.00 177.39 178.37 2pk0 n THR 208 N -1.39 0.03 -1.26 -5.08 5.66 -1.04 -4.91 114.28 106.29 2pk0 n THR 208 Ca 0.09 -0.01 -0.29 0.00 -3.05 0.00 0.00 64.05 60.79 2pk0 n THR 208 Cb 0.31 -0.26 0.18 0.00 -1.55 0.00 0.00 70.33 69.02 2pk0 n THR 208 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2pk0 s GLN 209 N -3.01 0.18 -0.72 1.09 -0.21 -1.22 -4.98 119.66 110.79 2pk0 s GLN 209 Ca 0.13 0.28 -0.11 0.00 0.02 0.00 0.00 55.36 55.68 2pk0 s GLN 209 Cb 0.18 -1.73 0.19 0.00 1.00 0.00 0.00 33.01 32.65 2pk0 s GLN 209 CO 0.59 -2.85 0.63 -1.21 -2.12 0.00 0.00 175.29 170.34 2pk0 s GLU 210 N -5.17 3.21 0.20 2.91 2.02 -1.26 -4.98 118.70 115.62 2pk0 s GLU 210 Ca 0.67 -2.36 -0.11 0.00 0.02 0.00 0.00 54.97 53.19 2pk0 s GLU 210 Cb -0.15 -4.21 -0.00 0.00 0.10 0.00 0.00 34.13 29.87 2pk0 s GLU 210 CO 0.56 -1.26 0.38 0.15 0.02 0.00 0.00 175.26 175.11 2pk0 s LYS 211 N 0.33 1.32 0.78 1.61 1.02 -1.26 -5.17 119.74 118.37 2pk0 s LYS 211 Ca 0.15 -1.17 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 2pk0 s LYS 211 Cb -0.16 0.43 0.06 0.00 -0.52 0.00 0.00 37.83 37.64 2pk0 s LYS 211 CO -0.06 -0.52 1.08 0.95 -0.92 0.00 0.00 175.35 175.89 2pk0 s THR 212 N -3.98 3.33 0.08 2.17 -4.23 -1.26 -4.87 115.64 106.88 2pk0 s THR 212 Ca 0.19 0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 60.91 2pk0 s THR 212 Cb 0.01 -3.10 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 2pk0 s THR 212 CO 0.03 -0.57 1.63 0.25 -0.54 0.00 0.00 174.62 175.43 2pk0 h LEU 213 N -1.05 0.12 -0.88 4.79 5.85 -2.00 -1.10 115.31 121.03 2pk0 h LEU 213 Ca -0.46 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.29 2pk0 h LEU 213 Cb 1.25 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 2pk0 h LEU 213 CO 0.57 0.22 0.47 0.44 -0.34 0.00 0.00 178.44 179.79 2pk0 h ASP 214 N 0.01 0.57 -0.10 1.25 3.32 -1.95 0.15 116.42 119.67 2pk0 h ASP 214 Ca 0.03 0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 2pk0 h ASP 214 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2pk0 h ASP 214 CO -0.00 0.22 -0.34 0.44 -1.72 0.00 0.00 179.24 177.84 2pk0 h ASP 215 N 0.64 0.61 -0.51 6.45 5.19 -1.84 -2.45 116.42 124.52 2pk0 h ASP 215 Ca 0.49 -0.25 -0.11 0.00 -0.62 0.00 0.00 57.03 56.54 2pk0 h ASP 215 Cb 0.72 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2pk0 h ASP 215 CO -0.37 0.90 -0.10 0.11 -3.12 0.00 0.00 179.24 176.66 2pk0 h LYS 216 N 0.50 0.99 -0.55 3.56 1.57 -0.22 -0.87 116.57 121.55 2pk0 h LYS 216 Ca 0.06 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2pk0 h LYS 216 Cb 0.82 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2pk0 h LYS 216 CO 0.07 1.03 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.99 2pk0 h ASN 217 N 0.89 0.93 -0.77 0.86 -0.73 -0.95 -0.98 115.58 114.83 2pk0 h ASN 217 Ca 0.14 -0.26 -0.04 0.00 1.87 0.00 0.00 56.30 58.01 2pk0 h ASN 217 Cb 0.65 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.96 2pk0 h ASN 217 CO 0.04 1.00 0.32 -0.61 -0.37 0.00 0.00 177.43 177.81 2pk0 h GLN 218 N 0.87 1.14 -0.10 6.67 5.75 -1.24 -2.65 115.11 125.56 2pk0 h GLN 218 Ca 0.16 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2pk0 h GLN 218 Cb 0.54 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2pk0 h GLN 218 CO 0.03 0.92 -0.22 -0.44 -2.65 0.00 0.00 178.83 176.48 2pk0 h ASP 219 N 1.11 0.16 -0.43 -0.69 3.32 -0.65 -1.84 116.42 117.41 2pk0 h ASP 219 Ca 0.26 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 2pk0 h ASP 219 Cb 0.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2pk0 h ASP 219 CO -0.02 0.39 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.75 2pk0 h LEU 220 N 0.15 0.80 0.03 1.55 3.38 -0.85 -2.15 115.31 118.22 2pk0 h LEU 220 Ca 0.03 -0.34 -0.23 0.00 0.09 0.00 0.00 57.88 57.42 2pk0 h LEU 220 Cb 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2pk0 h LEU 220 CO 0.03 0.95 -1.07 0.16 0.09 0.00 0.00 178.44 178.60 2pk0 h ILE 221 N 0.63 1.64 -0.00 1.22 -0.00 -1.31 -1.83 117.51 117.86 2pk0 h ILE 221 Ca 0.11 -3.28 -0.00 0.00 -0.00 0.00 0.00 64.86 61.70 2pk0 h ILE 221 Cb 0.58 2.87 -0.00 0.00 -0.00 0.00 0.00 36.82 40.27 2pk0 h ILE 221 CO 0.03 0.94 0.00 0.74 -0.00 0.00 0.00 178.15 179.87 2pk0 h THR 222 N 0.03 1.03 -0.98 0.16 2.02 -1.37 0.55 112.91 114.34 2pk0 h THR 222 Ca -0.05 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2pk0 h THR 222 Cb 1.83 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 69.27 2pk0 h THR 222 CO 0.15 0.02 0.64 0.25 0.37 0.00 0.00 175.52 176.96 2pk0 h LEU 223 N -0.03 1.13 -1.10 2.58 5.85 -1.41 0.19 115.31 122.51 2pk0 h LEU 223 Ca 0.00 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2pk0 h LEU 223 Cb 0.03 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2pk0 h LEU 223 CO -0.00 0.83 -0.09 0.00 -0.34 0.00 0.00 178.44 178.83 2pk0 h ALA 224 N 1.35 1.25 -0.34 1.25 0.00 -1.00 -0.16 119.26 121.62 2pk0 h ALA 224 Ca 0.36 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2pk0 h ALA 224 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2pk0 h ALA 224 CO -0.08 0.49 -0.25 -0.91 0.00 0.00 0.00 179.25 178.50 2pk0 h ASN 225 N 0.49 0.81 -0.73 0.00 2.35 -0.35 -1.04 115.58 117.12 2pk0 h ASN 225 Ca 0.09 -0.44 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 2pk0 h ASN 225 Cb 0.46 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2pk0 h ASN 225 CO 0.03 1.08 0.36 0.45 -1.65 0.00 0.00 177.43 177.69 2pk0 h HIS 226 N 0.55 1.06 0.00 1.19 3.86 -0.48 -0.49 115.15 120.84 2pk0 h HIS 226 Ca 0.06 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2pk0 h HIS 226 Cb 0.82 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2pk0 h HIS 226 CO 0.06 0.77 0.00 0.54 0.86 0.00 0.00 177.93 180.16 2pk0 n ARG 227 N -4.32 0.11 0.00 2.45 5.12 -0.12 -4.85 116.66 115.04 2pk0 n ARG 227 Ca 0.07 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 2pk0 n ARG 227 Cb 0.14 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 2pk0 n ARG 227 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pk0 n GLY 228 N 0.00 2.66 2.65 -0.13 0.00 -0.20 -4.95 105.19 105.23 2pk0 n GLY 228 Ca 0.03 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 2pk0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pk0 n GLY 229 N 0.00 -0.51 0.00 -0.02 0.00 -0.41 -4.41 105.19 99.84 2pk0 n GLY 229 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.13 2pk0 n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pk0 n LEU 230 N -3.40 0.00 -3.96 0.99 4.77 -1.26 -2.37 117.00 111.77 2pk0 n LEU 230 Ca -0.19 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2pk0 n LEU 230 Cb 0.66 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2pk0 n LEU 230 CO 0.36 -0.22 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.55 2pk0 s ASP 231 N -2.72 0.05 0.29 -1.43 2.15 -1.26 -4.81 116.67 108.94 2pk0 s ASP 231 Ca 0.09 -0.86 -0.30 0.00 0.43 0.00 0.00 52.55 51.91 2pk0 s ASP 231 Cb 0.07 0.43 -0.12 0.00 -0.30 0.00 0.00 42.92 43.01 2pk0 s ASP 231 CO 0.18 -0.88 1.62 0.59 -0.17 0.00 0.00 175.17 176.51 2pk0 n ASN 232 N -0.21 3.94 -4.45 -0.34 5.03 -1.22 -4.35 115.26 113.66 2pk0 n ASN 232 Ca -0.08 1.14 -0.33 0.00 0.87 0.00 0.00 54.58 56.18 2pk0 n ASN 232 Cb 0.63 -1.60 -0.13 0.00 -1.02 0.00 0.00 39.78 37.66 2pk0 n ASN 232 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2pk0 s ILE 233 N 0.12 3.28 -0.16 2.41 1.01 -0.42 -3.61 121.20 123.82 2pk0 s ILE 233 Ca 0.65 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2pk0 s ILE 233 Cb -0.49 -2.36 0.07 0.00 0.01 0.00 0.00 42.46 39.70 2pk0 s ILE 233 CO 0.47 0.55 0.36 -0.89 0.00 0.00 0.00 174.94 175.43 2pk0 s THR 234 N -0.12 -0.38 -0.03 2.92 2.01 -1.26 -0.51 115.64 118.27 2pk0 s THR 234 Ca -0.00 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2pk0 s THR 234 Cb -0.13 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.83 2pk0 s THR 234 CO 0.03 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.31 2pk0 s VAL 235 N 2.14 0.38 -0.18 3.82 1.01 -0.18 -1.80 120.40 125.59 2pk0 s VAL 235 Ca -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2pk0 s VAL 235 Cb -0.11 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2pk0 s VAL 235 CO -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 175.10 175.15 2pk0 s ALA 236 N 0.68 3.06 -0.08 5.51 0.00 0.15 -1.61 121.76 129.47 2pk0 s ALA 236 Ca -0.08 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2pk0 s ALA 236 Cb -0.11 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2pk0 s ALA 236 CO -0.00 0.05 -0.18 -0.51 0.00 0.00 0.00 175.76 175.11 2pk0 s LEU 237 N 0.65 2.48 -0.16 0.00 1.43 0.15 -0.35 118.68 122.87 2pk0 s LEU 237 Ca -0.01 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2pk0 s LEU 237 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2pk0 s LEU 237 CO 0.02 0.25 -0.19 -0.69 0.23 0.00 0.00 176.35 175.97 2pk0 s VAL 238 N -0.15 1.90 -0.14 -1.59 1.01 -0.50 -0.07 120.40 120.86 2pk0 s VAL 238 Ca -0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2pk0 s VAL 238 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2pk0 s VAL 238 CO 0.04 0.52 0.04 -0.47 0.00 0.00 0.00 175.10 175.22 2pk0 s TYR 239 N 1.20 3.24 -0.46 5.22 5.04 -0.24 -0.57 117.35 130.78 2pk0 s TYR 239 Ca 0.01 0.13 -0.16 0.00 -2.44 0.00 0.00 57.07 54.61 2pk0 s TYR 239 Cb -0.14 -1.95 0.06 0.00 0.35 0.00 0.00 41.96 40.28 2pk0 s TYR 239 CO -0.09 0.31 0.40 0.08 -1.34 0.00 0.00 175.55 174.91 2pk0 s VAL 240 N -0.23 5.20 0.52 3.14 1.01 -0.90 -1.62 120.40 127.51 2pk0 s VAL 240 Ca 0.07 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2pk0 s VAL 240 Cb -0.12 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2pk0 s VAL 240 CO 0.02 -0.53 1.12 -1.61 0.00 0.00 0.00 175.10 174.10 2pk0 s GLU 241 N 1.77 3.51 0.00 2.72 2.02 -0.50 -0.85 118.70 127.37 2pk0 s GLU 241 Ca 0.06 1.61 0.20 0.00 0.02 0.00 0.00 54.97 56.86 2pk0 s GLU 241 Cb -0.22 -2.11 0.16 0.00 0.10 0.00 0.00 34.13 32.06 2pk0 s GLU 241 CO 0.08 -0.72 1.14 0.43 0.02 0.00 0.00 175.26 176.21