#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba1 h PRO 2 N 0.00 0.54 0.00 0.03 0.13 -2.08 -2.46 132.00 128.17 2ba1 h PRO 2 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2ba1 h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ba1 h PRO 2 CO 0.00 0.85 0.00 0.93 -0.23 0.00 0.00 178.00 179.55 2ba1 h GLU 3 N 0.45 0.00 -0.29 0.86 4.39 -2.06 -3.04 114.58 114.89 2ba1 h GLU 3 Ca 0.04 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 2ba1 h GLU 3 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2ba1 h GLU 3 CO 0.08 0.00 -0.26 -0.44 -1.16 0.00 0.00 179.01 177.23 2ba1 h ASP 4 N 0.00 0.59 -0.08 1.42 5.19 -1.87 -3.00 116.42 118.66 2ba1 h ASP 4 Ca 0.00 -0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.24 2ba1 h ASP 4 Cb 0.53 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.83 2ba1 h ASP 4 CO 0.00 0.83 -0.28 0.40 -3.12 0.00 0.00 179.24 177.08 2ba1 h ILE 5 N 0.51 0.37 -0.78 0.35 5.03 -1.57 0.47 117.51 121.89 2ba1 h ILE 5 Ca 0.07 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.82 2ba1 h ILE 5 Cb 0.72 0.37 -0.04 0.00 -3.03 0.00 0.00 36.82 34.83 2ba1 h ILE 5 CO 0.05 0.00 0.52 -0.07 -0.68 0.00 0.00 178.15 177.97 2ba1 h LEU 6 N -0.37 0.89 -0.29 1.44 3.38 -1.74 -2.77 115.31 115.84 2ba1 h LEU 6 Ca 0.09 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 2ba1 h LEU 6 Cb 0.50 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2ba1 h LEU 6 CO -0.30 0.64 -0.82 0.58 0.09 0.00 0.00 178.44 178.63 2ba1 h VAL 7 N 1.04 1.38 -0.19 1.22 2.07 -1.21 -2.54 116.25 118.02 2ba1 h VAL 7 Ca 0.29 -2.25 -0.07 0.00 0.82 0.00 0.00 66.70 65.49 2ba1 h VAL 7 Cb -0.10 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2ba1 h VAL 7 CO -0.07 0.68 -0.19 0.44 0.02 0.00 0.00 177.57 178.45 2ba1 h ASP 8 N 0.28 0.32 -0.06 0.57 3.45 0.18 0.85 116.42 122.00 2ba1 h ASP 8 Ca -0.05 -0.09 -0.12 0.00 0.43 0.00 0.00 57.03 57.20 2ba1 h ASP 8 Cb 1.42 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 40.11 2ba1 h ASP 8 CO 0.14 0.53 -0.44 0.40 -1.57 0.00 0.00 179.24 178.31 2ba1 h ILE 9 N 0.30 1.41 -0.68 0.35 1.08 -1.50 -2.31 117.51 116.16 2ba1 h ILE 9 Ca 0.05 -1.85 0.06 0.00 -0.39 0.00 0.00 64.86 62.74 2ba1 h ILE 9 Cb 0.52 2.36 -0.04 0.00 -3.07 0.00 0.00 36.82 36.59 2ba1 h ILE 9 CO 0.03 0.54 0.45 0.50 -0.69 0.00 0.00 178.15 178.98 2ba1 h LYS 10 N -0.07 0.67 -0.41 2.37 1.63 -1.18 0.68 116.57 120.27 2ba1 h LYS 10 Ca -0.04 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.64 2ba1 h LYS 10 Cb 1.11 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 2ba1 h LYS 10 CO 0.09 0.44 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.36 2ba1 h ARG 11 N 0.69 0.72 -0.23 1.90 2.43 -0.69 -1.84 114.38 117.36 2ba1 h ARG 11 Ca 0.29 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 2ba1 h ARG 11 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2ba1 h ARG 11 CO -0.09 0.79 -0.36 -0.44 -1.51 0.00 0.00 179.97 178.36 2ba1 h ASP 12 N 0.66 0.52 0.13 -3.80 3.45 -0.33 -1.90 116.42 115.15 2ba1 h ASP 12 Ca 0.12 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 2ba1 h ASP 12 Cb 0.54 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 2ba1 h ASP 12 CO 0.03 0.84 -0.06 0.22 -1.57 0.00 0.00 179.24 178.69 2ba1 h TYR 13 N 0.42 -0.17 -0.58 4.55 3.20 -0.93 -1.59 116.97 121.87 2ba1 h TYR 13 Ca 0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2ba1 h TYR 13 Cb 0.83 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 2ba1 h TYR 13 CO 0.03 0.15 0.36 0.28 -1.64 0.00 0.00 178.16 177.34 2ba1 h VAL 14 N -0.50 1.07 0.00 1.81 2.07 -1.33 -1.53 116.25 117.84 2ba1 h VAL 14 Ca -0.02 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 2ba1 h VAL 14 Cb 0.39 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2ba1 h VAL 14 CO 0.03 0.13 -0.22 -0.07 0.02 0.00 0.00 177.57 177.46 2ba1 h LEU 15 N 0.71 0.00 -0.50 2.57 3.38 -1.34 -1.39 115.31 118.74 2ba1 h LEU 15 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 2ba1 h LEU 15 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2ba1 h LEU 15 CO -0.10 0.22 -0.07 -1.28 0.09 0.00 0.00 178.44 177.30 2ba1 h SER 16 N 0.00 0.93 0.63 -0.43 0.87 -0.29 -2.26 113.55 113.01 2ba1 h SER 16 Ca -0.00 -0.34 -0.14 0.00 -1.23 0.00 0.00 61.79 60.07 2ba1 h SER 16 Cb 0.40 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2ba1 h SER 16 CO 0.03 1.05 -0.67 0.11 -0.53 0.00 0.00 176.83 176.82 2ba1 h LYS 17 N 0.79 0.03 -0.54 2.24 1.79 -0.95 -3.00 116.57 116.94 2ba1 h LYS 17 Ca 0.13 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.52 2ba1 h LYS 17 Cb 0.62 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2ba1 h LYS 17 CO 0.04 0.69 0.11 1.25 -1.08 0.00 0.00 179.45 180.45 2ba1 h LEU 18 N 0.02 0.84 -2.24 2.94 6.46 -1.11 0.49 115.31 122.71 2ba1 h LEU 18 Ca -0.01 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2ba1 h LEU 18 Cb 1.18 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 2ba1 h LEU 18 CO 0.09 0.87 0.00 0.03 -0.62 0.00 0.00 178.44 178.81 2ba1 h ARG 19 N 0.77 0.00 -0.21 1.25 3.08 -1.26 0.19 114.38 118.19 2ba1 h ARG 19 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 2ba1 h ARG 19 Cb 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 2ba1 h ARG 19 CO 0.01 0.00 -0.12 -3.47 -1.07 0.00 0.00 179.97 175.32 2ba1 n ASP 20 N -2.70 2.65 -3.74 7.04 2.03 -0.52 -4.97 116.55 116.34 2ba1 n ASP 20 Ca -0.02 -3.51 -0.25 0.00 0.52 0.00 0.00 54.79 51.52 2ba1 n ASP 20 Cb 0.06 -0.56 0.05 0.00 -0.72 0.00 0.00 41.12 39.94 2ba1 n ASP 20 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ba1 n ASN 21 N -1.04 -3.98 -4.02 1.67 5.15 0.68 -5.00 115.26 108.72 2ba1 n ASN 21 Ca 0.25 -0.72 -0.09 0.00 -0.60 0.00 0.00 54.58 53.42 2ba1 n ASN 21 Cb 0.88 -4.31 -0.11 0.00 -0.53 0.00 0.00 39.78 35.71 2ba1 n ASN 21 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2ba1 s GLU 22 N -6.27 0.42 0.04 1.20 2.02 0.16 -4.99 118.70 111.29 2ba1 s GLU 22 Ca 0.42 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2ba1 s GLU 22 Cb -0.20 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 2ba1 s GLU 22 CO 0.79 -0.04 0.05 1.03 0.02 0.00 0.00 175.26 177.11 2ba1 s ARG 23 N -1.99 2.86 0.62 1.61 0.52 -1.26 -3.08 118.95 118.22 2ba1 s ARG 23 Ca -0.10 -0.64 0.32 0.00 -0.52 0.00 0.00 55.73 54.79 2ba1 s ARG 23 Cb -0.06 -2.72 1.79 0.00 0.52 0.00 0.00 34.95 34.48 2ba1 s ARG 23 CO -0.02 0.60 2.12 -0.84 0.02 0.00 0.00 175.30 177.17 2ba1 h ILE 24 N 3.01 0.30 -0.03 1.52 3.07 -1.93 -1.26 117.51 122.19 2ba1 h ILE 24 Ca -0.48 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2ba1 h ILE 24 Cb 1.17 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 2ba1 h ILE 24 CO 0.62 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.82 2ba1 n ASP 25 N -3.51 2.74 0.00 2.16 5.68 -1.26 -4.96 116.55 117.40 2ba1 n ASP 25 Ca 0.00 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2ba1 n ASP 25 Cb 0.29 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2ba1 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ba1 n GLY 26 N 1.17 0.76 3.69 6.12 0.00 -0.47 -5.05 105.19 111.40 2ba1 n GLY 26 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2ba1 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ba1 s ARG 27 N -0.45 0.90 0.54 1.61 0.52 -1.26 -4.91 118.95 115.91 2ba1 s ARG 27 Ca 0.00 0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 55.97 2ba1 s ARG 27 Cb 0.00 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 2ba1 s ARG 27 CO 0.00 -2.48 0.86 0.20 0.02 0.00 0.00 175.30 173.89 2ba1 s GLY 28 N -3.30 1.56 0.15 -3.53 0.00 -1.26 -4.44 107.32 96.50 2ba1 s GLY 28 Ca 0.64 -0.54 0.18 0.00 0.00 0.00 0.00 44.72 45.01 2ba1 s GLY 28 CO 0.58 -0.31 1.57 0.69 0.00 0.00 0.00 173.10 175.62 2ba1 n PHE 29 N -2.44 0.44 -0.78 1.90 3.01 -1.26 -1.96 117.46 116.36 2ba1 n PHE 29 Ca 0.03 0.18 0.07 0.00 1.01 0.00 0.00 57.45 58.73 2ba1 n PHE 29 Cb 0.56 -0.79 0.09 0.00 -0.01 0.00 0.00 39.48 39.33 2ba1 n PHE 29 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ba1 n ASP 30 N -1.90 2.13 -4.65 4.37 5.75 -1.26 -0.01 116.55 120.98 2ba1 n ASP 30 Ca 0.02 -2.70 -0.36 0.00 -0.01 0.00 0.00 54.79 51.74 2ba1 n ASP 30 Cb 0.18 -0.29 -0.10 0.00 -1.03 0.00 0.00 41.12 39.88 2ba1 n ASP 30 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2ba1 s GLU 31 N -2.19 4.04 0.60 0.11 2.12 -0.83 -4.92 118.70 117.64 2ba1 s GLU 31 Ca 0.21 -0.29 -0.09 0.00 0.36 0.00 0.00 54.97 55.16 2ba1 s GLU 31 Cb 0.18 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 2ba1 s GLU 31 CO 0.02 0.11 0.98 -0.06 -0.54 0.00 0.00 175.26 175.76 2ba1 s PHE 32 N 0.90 3.51 0.98 5.30 0.40 -1.26 -4.69 117.98 123.11 2ba1 s PHE 32 Ca 0.07 1.06 -0.16 0.00 -0.60 0.00 0.00 56.93 57.30 2ba1 s PHE 32 Cb -0.13 -2.71 0.19 0.00 0.51 0.00 0.00 43.02 40.89 2ba1 s PHE 32 CO 0.03 -0.72 1.26 1.03 0.70 0.00 0.00 175.22 177.52 2ba1 s ARG 33 N -5.10 0.56 0.30 0.44 3.00 -1.26 -4.96 118.95 111.93 2ba1 s ARG 33 Ca 0.54 -0.23 -0.29 0.00 0.00 0.00 0.00 55.73 55.74 2ba1 s ARG 33 Cb -0.11 -1.82 -0.11 0.00 0.00 0.00 0.00 34.95 32.91 2ba1 s ARG 33 CO 0.51 -2.49 1.48 0.21 0.00 0.00 0.00 175.30 175.00 2ba1 s LYS 34 N -5.73 4.20 -0.07 3.54 2.20 -1.26 -4.68 119.74 117.94 2ba1 s LYS 34 Ca 0.71 2.44 0.01 0.00 -0.36 0.00 0.00 55.97 58.77 2ba1 s LYS 34 Cb -0.07 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.19 2ba1 s LYS 34 CO 0.53 -0.48 -0.10 0.08 -0.36 0.00 0.00 175.35 175.02 2ba1 s VAL 35 N -0.43 3.39 -0.07 4.02 1.01 -1.26 -1.04 120.40 126.02 2ba1 s VAL 35 Ca 0.57 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2ba1 s VAL 35 Cb -0.44 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2ba1 s VAL 35 CO 0.51 0.58 0.00 -0.70 0.00 0.00 0.00 175.10 175.49 2ba1 s GLU 36 N -0.55 0.56 -0.24 2.72 2.12 0.11 -4.97 118.70 118.44 2ba1 s GLU 36 Ca 0.08 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.50 2ba1 s GLU 36 Cb -0.12 -0.91 0.02 0.00 0.26 0.00 0.00 34.13 33.38 2ba1 s GLU 36 CO 0.02 -0.29 -0.05 0.42 -0.54 0.00 0.00 175.26 174.82 2ba1 s ILE 37 N 1.90 3.03 -0.33 -3.70 1.01 -1.26 -0.47 121.20 121.38 2ba1 s ILE 37 Ca 0.04 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2ba1 s ILE 37 Cb -0.12 -2.49 0.10 0.00 0.01 0.00 0.00 42.46 39.95 2ba1 s ILE 37 CO -0.05 0.25 0.05 -0.63 0.00 0.00 0.00 174.94 174.57 2ba1 s ILE 38 N 1.37 1.93 0.66 2.92 1.01 -0.12 -4.99 121.20 123.98 2ba1 s ILE 38 Ca 0.02 -2.07 -0.11 0.00 0.00 0.00 0.00 60.65 58.49 2ba1 s ILE 38 Cb -0.16 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 2ba1 s ILE 38 CO -0.04 -0.58 1.05 -2.16 0.00 0.00 0.00 174.94 173.21 2ba1 s PRO 39 N 1.09 3.07 -1.06 2.79 0.04 -1.26 -0.39 135.00 139.27 2ba1 s PRO 39 Ca 0.10 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.58 2ba1 s PRO 39 Cb -0.19 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2ba1 s PRO 39 CO -0.12 -0.86 0.91 0.09 0.04 0.00 0.00 177.00 177.06 2ba1 n ASN 40 N -2.87 -4.44 -0.00 6.66 5.03 -0.21 -4.90 115.26 114.52 2ba1 n ASN 40 Ca 0.06 -0.64 0.10 0.00 0.87 0.00 0.00 54.58 54.98 2ba1 n ASN 40 Cb 0.56 -4.95 -0.13 0.00 -1.02 0.00 0.00 39.78 34.24 2ba1 n ASN 40 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2ba1 n VAL 41 N -3.52 0.00 -3.69 2.41 0.31 -1.26 -4.68 118.33 107.90 2ba1 n VAL 41 Ca -0.16 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 2ba1 n VAL 41 Cb 0.64 0.73 -0.14 0.00 -0.91 0.00 0.00 33.84 34.16 2ba1 n VAL 41 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ba1 s ILE 42 N -3.13 1.03 0.36 2.52 1.09 -1.26 -5.01 121.20 116.79 2ba1 s ILE 42 Ca 0.04 -2.00 0.06 0.00 -1.10 0.00 0.00 60.65 57.65 2ba1 s ILE 42 Cb 0.15 -1.74 0.18 0.00 -1.06 0.00 0.00 42.46 39.99 2ba1 s ILE 42 CO 0.88 -0.83 1.91 1.05 -0.10 0.00 0.00 174.94 177.85 2ba1 h GLU 43 N 7.28 0.47 -0.97 2.79 9.09 -1.96 -2.29 114.58 128.99 2ba1 h GLU 43 Ca -0.05 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.27 2ba1 h GLU 43 Cb 0.97 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 2ba1 h GLU 43 CO 0.45 0.48 0.00 1.63 0.05 0.00 0.00 179.01 181.62 2ba1 n LYS 44 N -4.31 0.69 -4.54 1.06 5.02 -1.26 -4.61 118.16 110.21 2ba1 n LYS 44 Ca 0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 2ba1 n LYS 44 Cb 0.22 -1.26 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 2ba1 n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ba1 s ALA 45 N -0.42 1.11 0.64 7.82 0.00 -0.86 -5.00 121.76 125.05 2ba1 s ALA 45 Ca 0.00 -0.43 0.32 0.00 0.00 0.00 0.00 51.96 51.85 2ba1 s ALA 45 Cb 0.00 -0.43 1.73 0.00 0.00 0.00 0.00 23.12 24.42 2ba1 s ALA 45 CO 0.00 0.16 2.02 0.93 0.00 0.00 0.00 175.76 178.87 2ba1 h GLU 46 N 6.52 0.00 -2.55 0.00 3.07 -1.65 -3.43 114.58 116.55 2ba1 h GLU 46 Ca -0.33 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.61 2ba1 h GLU 46 Cb 1.17 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.96 2ba1 h GLU 46 CO 0.48 0.00 0.39 0.20 -1.40 0.00 0.00 179.01 178.68 2ba1 s GLY 47 N -3.88 -0.44 0.00 -3.84 0.00 -1.07 0.80 107.32 98.88 2ba1 s GLY 47 Ca -0.04 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2ba1 s GLY 47 CO 0.38 0.20 0.00 -1.14 0.00 0.00 0.00 173.10 172.55 2ba1 n SER 48 N -0.33 0.00 -3.60 1.64 3.41 -1.25 -0.90 113.62 112.58 2ba1 n SER 48 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 2ba1 n SER 48 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2ba1 n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ba1 s ALA 49 N -2.00 -1.83 -0.13 7.33 0.00 -0.13 -1.04 121.76 123.96 2ba1 s ALA 49 Ca 0.00 1.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.70 2ba1 s ALA 49 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2ba1 s ALA 49 CO 0.00 -0.32 0.03 -1.17 0.00 0.00 0.00 175.76 174.30 2ba1 s LEU 50 N -0.18 3.72 -0.07 0.00 2.96 0.48 -1.30 118.68 124.28 2ba1 s LEU 50 Ca -0.02 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 2ba1 s LEU 50 Cb -0.03 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2ba1 s LEU 50 CO 0.02 0.29 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.51 2ba1 s VAL 51 N -0.35 1.27 -0.23 1.68 1.01 0.75 -0.95 120.40 123.58 2ba1 s VAL 51 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2ba1 s VAL 51 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2ba1 s VAL 51 CO 0.02 0.39 -0.05 -0.54 0.00 0.00 0.00 175.10 174.91 2ba1 s LYS 52 N 0.64 3.22 -0.31 2.72 1.02 0.38 -1.23 119.74 126.18 2ba1 s LYS 52 Ca -0.15 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.14 2ba1 s LYS 52 Cb -0.16 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.25 2ba1 s LYS 52 CO 0.04 -0.25 0.00 -1.17 -0.92 0.00 0.00 175.35 173.05 2ba1 s LEU 53 N 1.43 4.25 0.00 3.17 2.96 0.56 0.06 118.68 131.11 2ba1 s LEU 53 Ca 0.05 -1.78 0.00 0.00 -0.22 0.00 0.00 54.13 52.17 2ba1 s LEU 53 Cb -0.15 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.91 2ba1 s LEU 53 CO -0.04 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 2ba1 n GLY 54 N 4.39 3.94 0.49 7.98 0.00 -0.21 -0.13 105.19 121.64 2ba1 n GLY 54 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2ba1 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ba1 n ASP 55 N 6.64 1.85 -4.72 1.61 10.43 -1.26 -4.90 116.55 126.19 2ba1 n ASP 55 Ca 0.00 -1.41 -0.42 0.00 2.57 0.00 0.00 54.79 55.53 2ba1 n ASP 55 Cb 0.00 0.28 -0.03 0.00 1.84 0.00 0.00 41.12 43.21 2ba1 n ASP 55 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2ba1 s THR 56 N -2.38 4.05 -0.04 -3.53 2.01 0.82 -4.59 115.64 111.98 2ba1 s THR 56 Ca 0.23 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.77 2ba1 s THR 56 Cb 0.19 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 2ba1 s THR 56 CO 0.50 0.13 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.32 2ba1 s GLN 57 N 0.88 1.57 -0.03 4.92 -0.21 -0.33 -0.32 119.66 126.13 2ba1 s GLN 57 Ca 0.57 -0.54 -0.02 0.00 0.02 0.00 0.00 55.36 55.39 2ba1 s GLN 57 Cb -0.29 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 32.34 2ba1 s GLN 57 CO 0.30 0.22 0.08 0.08 -2.12 0.00 0.00 175.29 173.85 2ba1 s VAL 58 N 0.05 -0.01 -0.00 1.09 1.01 -0.36 -1.09 120.40 121.08 2ba1 s VAL 58 Ca -0.03 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.06 2ba1 s VAL 58 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2ba1 s VAL 58 CO 0.02 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.27 2ba1 s VAL 59 N 0.33 2.78 -0.06 2.92 1.01 -0.81 -0.18 120.40 126.39 2ba1 s VAL 59 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 2ba1 s VAL 59 Cb -0.04 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2ba1 s VAL 59 CO -0.01 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.85 2ba1 s VAL 60 N -0.80 0.49 0.10 2.92 1.01 -0.42 -0.25 120.40 123.45 2ba1 s VAL 60 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2ba1 s VAL 60 Cb -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2ba1 s VAL 60 CO 0.02 0.25 -0.07 -0.83 0.00 0.00 0.00 175.10 174.48 2ba1 s GLY 61 N 1.50 1.83 -0.16 4.51 0.00 -0.88 -0.95 107.32 113.17 2ba1 s GLY 61 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2ba1 s GLY 61 CO -0.03 -1.20 -0.10 0.14 0.00 0.00 0.00 173.10 171.91 2ba1 s VAL 62 N -1.27 1.43 -0.13 1.40 1.01 -0.08 -1.69 120.40 121.07 2ba1 s VAL 62 Ca 0.23 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2ba1 s VAL 62 Cb -0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2ba1 s VAL 62 CO 0.15 0.29 -0.08 -0.54 0.00 0.00 0.00 175.10 174.93 2ba1 s LYS 63 N 1.52 3.38 -0.05 2.72 -0.14 0.11 -1.96 119.74 125.33 2ba1 s LYS 63 Ca 0.02 -0.58 0.07 0.00 -1.36 0.00 0.00 55.97 54.12 2ba1 s LYS 63 Cb -0.14 -2.75 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 2ba1 s LYS 63 CO -0.09 0.32 -0.25 -1.64 -0.76 0.00 0.00 175.35 172.93 2ba1 s MET 64 N 0.11 2.37 -0.23 1.68 -1.94 -1.26 0.27 119.30 120.29 2ba1 s MET 64 Ca -0.03 -0.89 -0.20 0.00 -1.71 0.00 0.00 55.69 52.85 2ba1 s MET 64 Cb -0.14 -2.08 0.06 0.00 2.01 0.00 0.00 34.83 34.68 2ba1 s MET 64 CO 0.03 0.43 0.61 1.14 -0.01 0.00 0.00 175.02 177.22 2ba1 s GLN 65 N -0.29 0.70 0.47 2.03 -2.07 -1.01 -4.82 119.66 114.68 2ba1 s GLN 65 Ca 0.00 0.86 -0.24 0.00 -1.82 0.00 0.00 55.36 54.17 2ba1 s GLN 65 Cb -0.12 0.32 -0.07 0.00 -1.09 0.00 0.00 33.01 32.05 2ba1 s GLN 65 CO 0.02 -0.09 1.35 -1.25 -1.32 0.00 0.00 175.29 174.00 2ba1 s PRO 66 N 0.43 3.58 0.31 9.60 0.04 -1.26 -1.76 135.00 145.94 2ba1 s PRO 66 Ca -0.01 2.24 -0.18 0.00 0.04 0.00 0.00 61.00 63.09 2ba1 s PRO 66 Cb -0.04 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 32.04 2ba1 s PRO 66 CO -0.01 -0.84 0.89 0.20 0.04 0.00 0.00 177.00 177.27 2ba1 s GLY 67 N -0.79 0.26 0.02 0.56 0.00 0.11 -4.85 107.32 102.64 2ba1 s GLY 67 Ca 0.64 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 2ba1 s GLY 67 CO 0.50 0.74 0.92 -1.83 0.00 0.00 0.00 173.10 173.42 2ba1 s GLU 68 N -2.28 4.57 0.83 2.90 -1.05 -1.25 0.08 118.70 122.51 2ba1 s GLU 68 Ca 0.18 1.32 -0.11 0.00 -0.15 0.00 0.00 54.97 56.21 2ba1 s GLU 68 Cb -0.04 -3.43 0.09 0.00 -0.44 0.00 0.00 34.13 30.31 2ba1 s GLU 68 CO 0.09 0.07 1.09 -1.25 0.95 0.00 0.00 175.26 176.21 2ba1 s PRO 69 N 0.62 1.78 0.73 -4.83 0.04 -1.26 -4.92 135.00 127.15 2ba1 s PRO 69 Ca 0.47 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 2ba1 s PRO 69 Cb -0.21 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2ba1 s PRO 69 CO 0.27 -1.91 1.21 0.71 0.04 0.00 0.00 177.00 177.31 2ba1 s TYR 70 N -2.95 2.07 0.19 0.56 1.51 -1.26 -4.90 117.35 112.57 2ba1 s TYR 70 Ca 0.62 1.60 -0.11 0.00 -1.01 0.00 0.00 57.07 58.16 2ba1 s TYR 70 Cb -0.17 -3.47 0.11 0.00 -0.11 0.00 0.00 41.96 38.32 2ba1 s TYR 70 CO 0.56 -2.58 1.79 -1.00 -1.11 0.00 0.00 175.55 173.21 2ba1 h PRO 71 N -0.27 0.93 -0.02 -1.71 0.13 -1.98 -3.01 132.00 126.08 2ba1 h PRO 71 Ca -0.48 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 2ba1 h PRO 71 Cb 1.29 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2ba1 h PRO 71 CO 0.50 0.72 -0.38 -0.44 -0.23 0.00 0.00 178.00 178.17 2ba1 h ASP 72 N 0.91 0.04 -1.67 1.44 3.32 -2.04 -3.34 116.42 115.08 2ba1 h ASP 72 Ca 0.23 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.69 2ba1 h ASP 72 Cb 0.07 -0.01 -0.42 0.00 0.22 0.00 0.00 39.33 39.19 2ba1 h ASP 72 CO -0.03 0.41 -0.73 0.35 -1.72 0.00 0.00 179.24 177.51 2ba1 n THR 73 N -4.08 2.44 -0.46 0.35 -2.24 -1.14 -5.08 114.28 104.07 2ba1 n THR 73 Ca -0.02 -5.00 -0.28 0.00 -2.27 0.00 0.00 64.05 56.48 2ba1 n THR 73 Cb 0.42 -1.21 0.26 0.00 -2.10 0.00 0.00 70.33 67.70 2ba1 n THR 73 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ba1 n PRO 74 N -0.41 -2.70 -1.43 -0.78 -0.04 -1.20 -2.27 135.00 126.17 2ba1 n PRO 74 Ca 0.36 -0.76 -0.11 0.00 -0.04 0.00 0.00 63.50 62.95 2ba1 n PRO 74 Cb 0.61 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.91 2ba1 n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ba1 n ASP 75 N -4.88 -4.24 -3.70 3.54 4.64 -1.03 -4.98 116.55 105.90 2ba1 n ASP 75 Ca 0.02 0.24 -0.16 0.00 -1.38 0.00 0.00 54.79 53.51 2ba1 n ASP 75 Cb 0.55 -2.80 -0.16 0.00 -1.04 0.00 0.00 41.12 37.67 2ba1 n ASP 75 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 2ba1 s ARG 76 N -3.14 0.03 1.09 -0.67 6.06 -0.96 -4.44 118.95 116.92 2ba1 s ARG 76 Ca 0.00 0.45 -0.13 0.00 -2.50 0.00 0.00 55.73 53.55 2ba1 s ARG 76 Cb 0.00 -0.28 0.24 0.00 0.06 0.00 0.00 34.95 34.97 2ba1 s ARG 76 CO 0.00 -0.26 1.06 0.20 -2.50 0.00 0.00 175.30 173.80 2ba1 s GLY 77 N 1.86 1.55 -0.01 8.12 0.00 0.22 -4.68 107.32 114.38 2ba1 s GLY 77 Ca -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.49 2ba1 s GLY 77 CO -0.05 0.39 -0.22 0.14 0.00 0.00 0.00 173.10 173.35 2ba1 s VAL 78 N -2.73 1.78 -0.13 1.40 1.01 -0.71 -4.90 120.40 116.12 2ba1 s VAL 78 Ca 0.67 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 2ba1 s VAL 78 Cb -0.22 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.72 2ba1 s VAL 78 CO 0.61 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 175.50 2ba1 s ILE 79 N -0.54 1.06 -0.19 2.22 1.01 -1.26 0.95 121.20 124.44 2ba1 s ILE 79 Ca 0.09 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 2ba1 s ILE 79 Cb -0.09 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.26 2ba1 s ILE 79 CO -0.01 0.29 -0.15 -0.63 0.00 0.00 0.00 174.94 174.44 2ba1 s ILE 80 N 1.68 2.44 -0.13 2.92 1.01 0.91 -4.97 121.20 125.06 2ba1 s ILE 80 Ca 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 2ba1 s ILE 80 Cb -0.13 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2ba1 s ILE 80 CO -0.08 0.49 0.01 -0.69 0.00 0.00 0.00 174.94 174.67 2ba1 s VAL 81 N 1.34 4.35 -0.01 2.92 1.01 -1.26 -1.02 120.40 127.74 2ba1 s VAL 81 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 2ba1 s VAL 81 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2ba1 s VAL 81 CO -0.10 0.54 0.11 0.21 0.00 0.00 0.00 175.10 175.87 2ba1 s ASN 82 N -0.29 0.01 0.13 3.32 2.47 -0.66 -4.83 114.94 115.10 2ba1 s ASN 82 Ca 0.06 -0.11 0.09 0.00 0.42 0.00 0.00 52.86 53.32 2ba1 s ASN 82 Cb -0.12 0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.85 2ba1 s ASN 82 CO 0.02 -0.27 -0.20 0.00 -3.72 0.00 0.00 177.10 172.93 2ba1 s ALA 83 N -0.97 1.96 -0.15 1.71 0.00 -1.26 -0.25 121.76 122.80 2ba1 s ALA 83 Ca -0.11 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 2ba1 s ALA 83 Cb -0.06 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2ba1 s ALA 83 CO 0.01 0.33 -0.06 -1.21 0.00 0.00 0.00 175.76 174.83 2ba1 s GLU 84 N -2.29 1.43 -0.36 0.00 0.41 0.58 -4.88 118.70 113.60 2ba1 s GLU 84 Ca 0.11 -0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.27 2ba1 s GLU 84 Cb -0.08 -1.84 0.10 0.00 -1.78 0.00 0.00 34.13 30.52 2ba1 s GLU 84 CO 0.06 -0.38 0.09 -0.51 -0.49 0.00 0.00 175.26 174.03 2ba1 s LEU 85 N 1.67 4.79 -0.90 1.80 1.02 -1.26 -1.78 118.68 124.02 2ba1 s LEU 85 Ca 0.02 -2.00 -0.01 0.00 0.02 0.00 0.00 54.13 52.16 2ba1 s LEU 85 Cb -0.14 -1.70 0.26 0.00 0.02 0.00 0.00 46.19 44.63 2ba1 s LEU 85 CO -0.08 -0.42 1.05 0.52 0.02 0.00 0.00 176.35 177.44 2ba1 n VAL 86 N 4.41 3.76 0.00 -1.59 0.31 -1.26 -5.02 118.33 118.93 2ba1 n VAL 86 Ca -0.01 -5.46 0.00 0.00 -0.01 0.00 0.00 64.34 58.86 2ba1 n VAL 86 Cb 0.42 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 2ba1 n VAL 86 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2ba1 n PRO 98 N 1.53 0.00 -0.07 5.55 -0.02 -1.26 -5.16 135.00 135.57 2ba1 n PRO 98 Ca 0.26 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 2ba1 n PRO 98 Cb 0.37 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.05 2ba1 n PRO 98 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ba1 h ASP 99 N 0.00 0.67 0.68 2.55 -0.00 -1.98 0.36 116.42 118.69 2ba1 h ASP 99 Ca 0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.03 56.88 2ba1 h ASP 99 Cb 0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.15 2ba1 h ASP 99 CO 0.00 0.74 -0.01 -0.08 -0.00 0.00 0.00 179.24 179.88 2ba1 h GLU 100 N 0.66 0.00 0.04 0.28 4.81 -2.04 0.12 114.58 118.44 2ba1 h GLU 100 Ca 0.13 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.03 2ba1 h GLU 100 Cb 0.41 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2ba1 h GLU 100 CO 0.02 0.01 -1.98 0.09 -0.73 0.00 0.00 179.01 176.42 2ba1 n ASN 101 N -3.13 1.19 -0.16 1.04 3.02 -0.34 -3.25 115.26 113.63 2ba1 n ASN 101 Ca -0.01 0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.66 2ba1 n ASN 101 Cb 0.23 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2ba1 n ASN 101 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2ba1 h SER 102 N 0.02 1.00 -0.07 6.41 0.87 0.28 -1.22 113.55 120.84 2ba1 h SER 102 Ca -0.40 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 59.76 2ba1 h SER 102 Cb 2.05 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2ba1 h SER 102 CO 0.06 1.16 -0.00 0.40 -0.53 0.00 0.00 176.83 177.92 2ba1 h ILE 103 N 0.83 1.26 -0.10 2.23 2.04 -0.95 -2.04 117.51 120.78 2ba1 h ILE 103 Ca 0.11 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.21 2ba1 h ILE 103 Cb 0.77 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2ba1 h ILE 103 CO 0.06 0.22 -0.13 -0.08 0.00 0.00 0.00 178.15 178.22 2ba1 h GLU 104 N -0.18 -0.17 -0.79 2.37 4.81 -1.52 0.25 114.58 119.36 2ba1 h GLU 104 Ca 0.02 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2ba1 h GLU 104 Cb 0.35 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2ba1 h GLU 104 CO 0.00 -0.11 0.51 1.25 -0.73 0.00 0.00 179.01 179.94 2ba1 h LEU 105 N -0.17 0.72 -0.06 1.64 6.46 -1.19 0.73 115.31 123.44 2ba1 h LEU 105 Ca 0.08 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 2ba1 h LEU 105 Cb 0.28 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2ba1 h LEU 105 CO -0.20 0.46 -0.25 0.00 -0.62 0.00 0.00 178.44 177.83 2ba1 h ALA 106 N 1.58 0.10 -0.60 1.25 0.00 -0.58 -2.50 119.26 118.51 2ba1 h ALA 106 Ca 0.34 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2ba1 h ALA 106 Cb 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2ba1 h ALA 106 CO -0.12 0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.50 2ba1 h ARG 107 N -0.26 0.46 0.42 0.00 3.08 0.02 0.42 114.38 118.52 2ba1 h ARG 107 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2ba1 h ARG 107 Cb 0.90 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2ba1 h ARG 107 CO 0.05 0.31 -0.20 0.28 -1.07 0.00 0.00 179.97 179.34 2ba1 h VAL 108 N 0.48 0.57 -0.57 2.04 2.07 -0.91 0.49 116.25 120.42 2ba1 h VAL 108 Ca 0.29 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.66 2ba1 h VAL 108 Cb 0.30 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 2ba1 h VAL 108 CO -0.25 0.05 -0.15 0.58 0.02 0.00 0.00 177.57 177.82 2ba1 h VAL 109 N -0.72 0.43 -0.73 2.57 2.07 -1.13 -0.12 116.25 118.61 2ba1 h VAL 109 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2ba1 h VAL 109 Cb 0.51 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2ba1 h VAL 109 CO 0.10 0.00 0.47 -0.78 0.02 0.00 0.00 177.57 177.38 2ba1 h ASP 110 N -0.00 0.80 -0.91 0.57 3.58 0.08 -2.71 116.42 117.83 2ba1 h ASP 110 Ca 0.27 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 2ba1 h ASP 110 Cb 0.42 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 2ba1 h ASP 110 CO -0.59 0.57 0.52 0.03 -2.88 0.00 0.00 179.24 176.89 2ba1 h ARG 111 N 0.95 1.26 -0.56 0.28 3.08 0.17 -1.11 114.38 118.45 2ba1 h ARG 111 Ca 0.28 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2ba1 h ARG 111 Cb -0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.71 2ba1 h ARG 111 CO -0.08 0.91 0.16 0.78 -1.07 0.00 0.00 179.97 180.66 2ba1 h GLY 112 N 1.28 0.95 1.15 0.04 0.00 -0.88 -0.05 103.07 105.55 2ba1 h GLY 112 Ca 0.32 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 2ba1 h GLY 112 CO -0.05 0.54 -0.09 -2.22 0.00 0.00 0.00 176.54 174.72 2ba1 h ILE 113 N 0.79 1.27 0.02 2.60 1.08 -1.19 -2.84 117.51 119.23 2ba1 h ILE 113 Ca 0.18 -1.23 -0.14 0.00 -0.39 0.00 0.00 64.86 63.28 2ba1 h ILE 113 Cb 0.31 0.94 0.01 0.00 -3.07 0.00 0.00 36.82 35.01 2ba1 h ILE 113 CO -0.00 0.44 -0.55 -0.09 -0.69 0.00 0.00 178.15 177.25 2ba1 h ARG 114 N 0.90 0.33 0.00 2.37 2.43 -1.07 -2.55 114.38 116.79 2ba1 h ARG 114 Ca 0.15 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2ba1 h ARG 114 Cb 0.64 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2ba1 h ARG 114 CO 0.04 1.09 -0.21 0.93 -1.51 0.00 0.00 179.97 180.31 2ba1 h GLU 115 N -0.25 0.00 0.00 0.20 4.39 -1.08 -2.76 114.58 115.07 2ba1 h GLU 115 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2ba1 h GLU 115 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2ba1 h GLU 115 CO 0.11 0.21 -0.66 0.66 -1.16 0.00 0.00 179.01 178.16 2ba1 h SER 116 N 0.00 0.00 -5.30 1.42 4.64 -1.59 -3.48 113.55 109.23 2ba1 h SER 116 Ca -0.00 -0.19 -0.30 0.00 -0.47 0.00 0.00 61.79 60.83 2ba1 h SER 116 Cb 0.78 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.02 2ba1 h SER 116 CO 0.03 0.09 -0.69 -0.62 -0.87 0.00 0.00 176.83 174.77 2ba1 n GLU 117 N -2.20 -6.10 0.28 4.77 1.02 -1.03 -4.79 120.64 112.60 2ba1 n GLU 117 Ca 0.03 0.77 0.15 0.00 -0.02 0.00 0.00 57.16 58.08 2ba1 n GLU 117 Cb 0.45 -5.54 0.84 0.00 -0.02 0.00 0.00 31.44 27.17 2ba1 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ba1 h ALA 118 N 0.82 1.30 -3.43 0.62 0.00 -1.76 -3.40 119.26 113.42 2ba1 h ALA 118 Ca -0.53 -0.06 -0.47 0.00 0.00 0.00 0.00 54.91 53.85 2ba1 h ALA 118 Cb 1.31 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.75 2ba1 h ALA 118 CO 0.46 0.08 -0.80 0.08 0.00 0.00 0.00 179.25 179.07 2ba1 s VAL 119 N -4.29 0.86 -0.48 0.00 1.01 -1.26 0.13 120.40 116.37 2ba1 s VAL 119 Ca -0.04 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2ba1 s VAL 119 Cb 0.13 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2ba1 s VAL 119 CO 0.55 0.30 1.15 -0.62 0.00 0.00 0.00 175.10 176.48 2ba1 s ASP 120 N 0.79 6.61 0.52 3.32 2.15 -1.24 -4.87 116.67 123.96 2ba1 s ASP 120 Ca -0.13 0.48 0.31 0.00 0.43 0.00 0.00 52.55 53.64 2ba1 s ASP 120 Cb -0.15 -2.55 1.13 0.00 -0.30 0.00 0.00 42.92 41.05 2ba1 s ASP 120 CO 0.02 -1.27 1.90 -0.07 -0.17 0.00 0.00 175.17 175.58 2ba1 h LEU 121 N 11.29 0.00 -0.97 -1.34 3.38 -1.94 -2.82 115.31 122.91 2ba1 h LEU 121 Ca -0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2ba1 h LEU 121 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2ba1 h LEU 121 CO 1.13 0.03 -0.44 0.77 0.09 0.00 0.00 178.44 180.02 2ba1 h SER 122 N 0.00 0.17 0.48 -0.43 4.64 -1.90 0.65 113.55 117.17 2ba1 h SER 122 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2ba1 h SER 122 Cb 0.63 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2ba1 h SER 122 CO 0.00 0.59 0.00 0.29 -0.87 0.00 0.00 176.83 176.84 2ba1 n LYS 123 N -4.01 0.36 -0.88 4.77 5.02 -1.06 -3.36 118.16 119.00 2ba1 n LYS 123 Ca -0.02 0.04 0.03 0.00 -2.02 0.00 0.00 58.31 56.35 2ba1 n LYS 123 Cb 0.49 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.36 2ba1 n LYS 123 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ba1 n LEU 124 N -1.29 5.59 -4.75 -0.35 4.77 -0.83 -4.94 117.00 115.19 2ba1 n LEU 124 Ca 0.12 -2.85 -0.39 0.00 -0.03 0.00 0.00 56.01 52.85 2ba1 n LEU 124 Cb 0.20 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 2ba1 n LEU 124 CO 0.20 0.65 0.38 -0.69 -1.33 0.00 0.00 177.39 176.59 2ba1 s VAL 125 N -2.71 4.83 -0.25 4.08 1.01 -1.21 -0.19 120.40 125.96 2ba1 s VAL 125 Ca 0.52 1.43 -0.09 0.00 0.00 0.00 0.00 61.98 63.83 2ba1 s VAL 125 Cb 0.40 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 2ba1 s VAL 125 CO 0.14 0.39 -0.30 -0.38 0.00 0.00 0.00 175.10 174.96 2ba1 n ILE 126 N 2.79 1.37 -3.61 2.22 2.08 0.88 -4.91 119.36 120.18 2ba1 n ILE 126 Ca -0.05 -0.39 -0.19 0.00 0.56 0.00 0.00 62.75 62.69 2ba1 n ILE 126 Cb 0.51 -1.73 -0.15 0.00 -0.75 0.00 0.00 39.64 37.51 2ba1 n ILE 126 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2ba1 s GLU 127 N -2.46 0.08 0.00 0.38 2.02 0.16 -4.92 118.70 113.96 2ba1 s GLU 127 Ca -0.34 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.02 2ba1 s GLU 127 Cb 0.12 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.60 2ba1 s GLU 127 CO 0.46 -0.45 0.00 0.39 0.02 0.00 0.00 175.26 175.68 2ba1 n GLU 128 N 5.32 0.00 -1.70 1.61 -0.58 -1.26 -0.01 120.64 124.01 2ba1 n GLU 128 Ca -0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.68 2ba1 n GLU 128 Cb 0.50 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.38 2ba1 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ba1 n GLY 129 N 0.00 1.10 1.16 0.62 0.00 -1.26 -2.47 105.19 104.34 2ba1 n GLY 129 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2ba1 n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ba1 n GLU 130 N -0.15 0.00 -4.80 1.61 -0.58 0.98 -4.73 120.64 112.98 2ba1 n GLU 130 Ca -0.09 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.32 2ba1 n GLU 130 Cb 0.90 -0.42 -0.16 0.00 -0.57 0.00 0.00 31.44 31.19 2ba1 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ba1 s LYS 131 N -2.00 3.17 0.01 3.49 1.02 -1.15 -3.88 119.74 120.40 2ba1 s LYS 131 Ca 0.00 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 2ba1 s LYS 131 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2ba1 s LYS 131 CO 0.00 0.10 0.16 0.08 -0.92 0.00 0.00 175.35 174.77 2ba1 s VAL 132 N 0.59 0.09 0.18 3.17 1.01 0.11 0.40 120.40 125.95 2ba1 s VAL 132 Ca -0.11 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2ba1 s VAL 132 Cb -0.16 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 2ba1 s VAL 132 CO 0.03 -0.40 1.21 0.26 0.00 0.00 0.00 175.10 176.21 2ba1 s TRP 133 N -1.66 3.40 -0.26 5.22 0.23 0.73 0.04 118.94 126.65 2ba1 s TRP 133 Ca -0.12 1.39 -0.03 0.00 -2.03 0.00 0.00 56.10 55.31 2ba1 s TRP 133 Cb -0.06 -3.46 0.02 0.00 0.03 0.00 0.00 33.47 30.01 2ba1 s TRP 133 CO 0.01 -1.31 -0.03 0.42 0.96 0.00 0.00 176.95 177.00 2ba1 s ILE 134 N 0.02 3.09 -0.35 2.03 1.01 -0.72 -1.74 121.20 124.53 2ba1 s ILE 134 Ca 0.54 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2ba1 s ILE 134 Cb -0.33 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 2ba1 s ILE 134 CO 0.37 0.15 0.50 -0.69 0.00 0.00 0.00 174.94 175.26 2ba1 s VAL 135 N 1.35 5.03 -0.32 2.92 1.01 0.27 -2.40 120.40 128.26 2ba1 s VAL 135 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 2ba1 s VAL 135 Cb -0.17 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2ba1 s VAL 135 CO -0.03 -0.21 0.21 -0.36 0.00 0.00 0.00 175.10 174.71 2ba1 s PHE 136 N 2.35 3.21 -0.38 5.22 0.40 0.14 -0.06 117.98 128.87 2ba1 s PHE 136 Ca 0.18 -0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 2ba1 s PHE 136 Cb -0.16 -2.43 0.07 0.00 0.51 0.00 0.00 43.02 41.01 2ba1 s PHE 136 CO 0.13 -0.34 0.17 0.08 0.70 0.00 0.00 175.22 175.96 2ba1 s VAL 137 N 1.71 3.75 -0.17 -0.44 1.01 -0.18 -0.71 120.40 125.36 2ba1 s VAL 137 Ca 0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.57 2ba1 s VAL 137 Cb -0.17 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2ba1 s VAL 137 CO 0.10 -0.39 -0.08 -1.81 0.00 0.00 0.00 175.10 172.92 2ba1 s ASP 138 N 1.74 4.25 -0.16 3.32 1.11 -0.68 -1.65 116.67 124.60 2ba1 s ASP 138 Ca 0.02 -0.33 -0.15 0.00 0.18 0.00 0.00 52.55 52.27 2ba1 s ASP 138 Cb -0.21 -1.69 -0.04 0.00 1.07 0.00 0.00 42.92 42.04 2ba1 s ASP 138 CO 0.01 0.08 0.36 -0.63 1.18 0.00 0.00 175.17 176.17 2ba1 s ILE 139 N 0.85 5.26 -0.27 0.77 1.01 0.65 -2.07 121.20 127.41 2ba1 s ILE 139 Ca -0.02 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.33 2ba1 s ILE 139 Cb -0.15 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.70 2ba1 s ILE 139 CO 0.01 0.35 -0.00 -2.28 0.00 0.00 0.00 174.94 173.01 2ba1 s HIS 140 N 0.66 2.57 0.12 3.97 2.46 0.66 -0.31 115.29 125.42 2ba1 s HIS 140 Ca 0.20 -2.03 -0.31 0.00 0.47 0.00 0.00 55.06 53.39 2ba1 s HIS 140 Cb -0.14 -1.90 -0.09 0.00 -0.13 0.00 0.00 32.58 30.33 2ba1 s HIS 140 CO 0.06 -0.83 1.56 0.00 -2.47 0.00 0.00 174.74 173.06 2ba1 s ALA 141 N 1.33 3.72 -0.25 1.58 0.00 -0.73 -1.92 121.76 125.48 2ba1 s ALA 141 Ca 0.01 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.25 2ba1 s ALA 141 Cb -0.19 -3.63 -0.16 0.00 0.00 0.00 0.00 23.12 19.14 2ba1 s ALA 141 CO -0.10 -0.86 -0.22 1.28 0.00 0.00 0.00 175.76 175.86 2ba1 n LEU 142 N 4.51 2.97 -3.69 0.00 4.77 -0.25 -4.63 117.00 120.68 2ba1 n LEU 142 Ca 0.14 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 2ba1 n LEU 142 Cb 0.40 -0.86 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 2ba1 n LEU 142 CO 0.61 0.92 -0.02 -0.62 -1.33 0.00 0.00 177.39 176.95 2ba1 s ASP 143 N -6.40 -0.29 -0.49 -1.43 3.68 -0.88 -4.93 116.67 105.92 2ba1 s ASP 143 Ca -0.33 0.77 -0.12 0.00 2.13 0.00 0.00 52.55 55.00 2ba1 s ASP 143 Cb 0.09 0.76 0.11 0.00 -1.45 0.00 0.00 42.92 42.43 2ba1 s ASP 143 CO 0.57 -0.20 0.39 -0.62 0.13 0.00 0.00 175.17 175.45 2ba1 s ASP 144 N 1.70 5.90 -0.15 -0.34 3.68 -1.26 -1.18 116.67 125.01 2ba1 s ASP 144 Ca -0.07 -1.78 0.18 0.00 2.13 0.00 0.00 52.55 53.01 2ba1 s ASP 144 Cb -0.10 -2.09 0.36 0.00 -1.45 0.00 0.00 42.92 39.64 2ba1 s ASP 144 CO -0.11 -0.73 1.22 -0.67 0.13 0.00 0.00 175.17 175.01 2ba1 n ASP 145 N 5.05 2.64 0.00 -0.34 4.64 -1.26 -4.88 116.55 122.39 2ba1 n ASP 145 Ca -0.11 -3.15 0.00 0.00 -1.38 0.00 0.00 54.79 50.16 2ba1 n ASP 145 Cb 0.41 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 40.02 2ba1 n ASP 145 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2ba1 n GLY 146 N -1.21 3.06 3.77 0.27 0.00 -1.26 0.19 105.19 110.00 2ba1 n GLY 146 Ca 0.18 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 2ba1 n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ba1 n ASN 147 N 0.00 -3.11 0.29 1.61 4.05 -1.21 -4.76 115.26 112.13 2ba1 n ASN 147 Ca 0.00 -0.98 0.17 0.00 0.45 0.00 0.00 54.58 54.22 2ba1 n ASN 147 Cb 0.00 -3.38 0.79 0.00 1.23 0.00 0.00 39.78 38.42 2ba1 n ASN 147 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2ba1 h LEU 148 N -1.87 0.00 0.41 1.20 3.38 -1.95 -2.91 115.31 113.57 2ba1 h LEU 148 Ca -0.65 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 2ba1 h LEU 148 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2ba1 h LEU 148 CO 0.54 0.03 -0.20 0.25 0.09 0.00 0.00 178.44 179.15 2ba1 h LEU 149 N 0.00 -0.47 -1.00 1.67 5.85 -1.96 0.88 115.31 120.28 2ba1 h LEU 149 Ca -0.00 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2ba1 h LEU 149 Cb 0.40 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2ba1 h LEU 149 CO 0.00 -0.08 0.47 0.44 -0.34 0.00 0.00 178.44 178.94 2ba1 h ASP 150 N -0.94 1.05 0.18 1.25 3.45 -1.83 0.17 116.42 119.75 2ba1 h ASP 150 Ca -0.06 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 2ba1 h ASP 150 Cb 0.56 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2ba1 h ASP 150 CO 0.09 0.83 -0.09 0.00 -1.57 0.00 0.00 179.24 178.51 2ba1 h ALA 151 N 1.34 -0.24 -0.92 3.45 0.00 -1.52 -1.47 119.26 119.90 2ba1 h ALA 151 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2ba1 h ALA 151 Cb 0.01 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2ba1 h ALA 151 CO -0.05 -0.62 0.61 0.77 0.00 0.00 0.00 179.25 179.96 2ba1 h SER 152 N -0.28 1.03 -0.68 0.00 0.02 -0.13 -0.68 113.55 112.83 2ba1 h SER 152 Ca -0.02 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2ba1 h SER 152 Cb 0.21 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2ba1 h SER 152 CO 0.04 0.73 0.29 0.00 -1.14 0.00 0.00 176.83 176.75 2ba1 h ALA 153 N 1.44 0.88 0.03 3.77 0.00 -0.47 0.33 119.26 125.24 2ba1 h ALA 153 Ca 0.35 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ba1 h ALA 153 Cb -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2ba1 h ALA 153 CO -0.09 0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 179.56 2ba1 h LEU 154 N 0.95 -0.04 -0.55 0.00 4.07 -0.32 -2.39 115.31 117.04 2ba1 h LEU 154 Ca 0.23 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 2ba1 h LEU 154 Cb 0.18 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 2ba1 h LEU 154 CO -0.02 -0.03 0.01 0.00 -1.08 0.00 0.00 178.44 177.32 2ba1 h ALA 155 N 0.93 0.74 0.09 1.53 0.00 -1.03 -1.87 119.26 119.64 2ba1 h ALA 155 Ca -0.00 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2ba1 h ALA 155 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2ba1 h ALA 155 CO 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 2ba1 h ALA 156 N 0.96 -0.19 0.00 0.00 0.00 -0.84 0.39 119.26 119.58 2ba1 h ALA 156 Ca 0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2ba1 h ALA 156 Cb 0.52 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ba1 h ALA 156 CO 0.03 -0.62 -0.32 0.97 0.00 0.00 0.00 179.25 179.30 2ba1 h ILE 157 N -0.22 1.09 -0.14 0.00 6.09 -1.45 -1.76 117.51 121.11 2ba1 h ILE 157 Ca 0.01 -1.15 -0.15 0.00 -1.37 0.00 0.00 64.86 62.20 2ba1 h ILE 157 Cb 0.22 1.65 0.01 0.00 0.47 0.00 0.00 36.82 39.16 2ba1 h ILE 157 CO -0.04 0.31 -0.50 0.00 -3.07 0.00 0.00 178.15 174.86 2ba1 h ALA 158 N 1.68 0.25 -0.23 0.18 0.00 -0.73 -2.12 119.26 118.30 2ba1 h ALA 158 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ba1 h ALA 158 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2ba1 h ALA 158 CO 0.04 0.43 0.14 0.00 0.00 0.00 0.00 179.25 179.86 2ba1 h ALA 159 N 0.53 0.29 -0.51 0.00 0.00 0.01 -1.90 119.26 117.68 2ba1 h ALA 159 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2ba1 h ALA 159 Cb 1.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2ba1 h ALA 159 CO 0.11 -0.21 0.34 -0.07 0.00 0.00 0.00 179.25 179.41 2ba1 h LEU 160 N 0.28 0.52 -1.06 0.00 3.38 -1.33 -0.25 115.31 116.85 2ba1 h LEU 160 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2ba1 h LEU 160 Cb 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2ba1 h LEU 160 CO -0.02 0.36 0.00 0.24 0.09 0.00 0.00 178.44 179.11 2ba1 h MET 161 N 0.60 0.00 -0.67 1.13 2.86 -0.64 -2.94 114.93 115.26 2ba1 h MET 161 Ca 0.20 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.35 2ba1 h MET 161 Cb 0.06 0.00 -0.37 0.00 0.06 0.00 0.00 31.60 31.35 2ba1 h MET 161 CO -0.05 0.00 -0.69 0.09 1.06 0.00 0.00 176.91 177.32 2ba1 n ASN 162 N -2.66 4.65 -4.75 1.22 3.02 -0.13 -4.93 115.26 111.69 2ba1 n ASN 162 Ca 0.01 -3.77 -0.36 0.00 -0.03 0.00 0.00 54.58 50.44 2ba1 n ASN 162 Cb 0.27 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 2ba1 n ASN 162 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ba1 s THR 163 N -4.43 5.05 -0.23 3.41 2.01 -1.07 -4.24 115.64 116.14 2ba1 s THR 163 Ca 0.50 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 2ba1 s THR 163 Cb 0.41 -3.23 -0.00 0.00 0.01 0.00 0.00 72.50 69.69 2ba1 s THR 163 CO 0.02 0.54 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.71 2ba1 s LYS 164 N -0.36 3.27 -0.15 4.92 2.20 0.24 -0.72 119.74 129.13 2ba1 s LYS 164 Ca 0.10 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 2ba1 s LYS 164 Cb -0.12 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2ba1 s LYS 164 CO 0.02 -0.25 1.69 0.08 -0.36 0.00 0.00 175.35 176.52 2ba1 s VAL 165 N 1.46 3.58 -0.34 4.02 1.01 -0.16 -4.70 120.40 125.26 2ba1 s VAL 165 Ca 0.05 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 2ba1 s VAL 165 Cb -0.15 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 2ba1 s VAL 165 CO -0.03 -0.18 2.12 -0.81 0.00 0.00 0.00 175.10 176.20 2ba1 n PRO 166 N 7.56 1.42 0.04 2.72 -0.04 -1.26 -3.95 135.00 141.49 2ba1 n PRO 166 Ca 0.19 -0.88 -0.11 0.00 -0.04 0.00 0.00 63.50 62.67 2ba1 n PRO 166 Cb 0.44 -2.03 -0.04 0.00 -0.04 0.00 0.00 33.50 31.83 2ba1 n PRO 166 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ba1 h ALA 167 N 5.20 -0.12 -0.61 0.55 0.00 -1.89 -3.23 119.26 119.16 2ba1 h ALA 167 Ca 0.25 0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.44 2ba1 h ALA 167 Cb 0.55 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 2ba1 h ALA 167 CO 0.78 -0.61 2.42 -1.91 0.00 0.00 0.00 179.25 179.93 2ba1 n GLU 168 N -5.26 3.28 0.00 0.00 2.13 -1.25 -2.52 120.64 117.02 2ba1 n GLU 168 Ca -0.05 -3.18 0.00 0.00 0.66 0.00 0.00 57.16 54.60 2ba1 n GLU 168 Cb 0.18 -3.11 0.00 0.00 0.27 0.00 0.00 31.44 28.78 2ba1 n GLU 168 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2ba1 n ARG 169 N 5.13 0.00 -0.02 5.31 0.63 -1.22 -4.83 116.66 121.66 2ba1 n ARG 169 Ca 0.45 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.39 2ba1 n ARG 169 Cb 0.38 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.32 2ba1 n ARG 169 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2ba1 n PHE 170 N -0.03 0.05 -3.22 -0.14 3.01 -1.05 -5.03 117.46 111.06 2ba1 n PHE 170 Ca 0.00 -0.26 -0.08 0.00 1.01 0.00 0.00 57.45 58.12 2ba1 n PHE 170 Cb 0.00 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 39.47 2ba1 n PHE 170 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2ba1 n ASP 171 N -0.07 -7.09 -0.01 4.37 -0.08 -1.12 -4.98 116.55 107.56 2ba1 n ASP 171 Ca 0.02 -0.37 -0.02 0.00 -1.51 0.00 0.00 54.79 52.91 2ba1 n ASP 171 Cb 0.18 -4.84 -0.01 0.00 2.34 0.00 0.00 41.12 38.79 2ba1 n ASP 171 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ba1 n LEU 172 N -2.38 0.90 0.00 -2.67 4.32 -1.15 -5.06 117.00 110.96 2ba1 n LEU 172 Ca -0.05 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2ba1 n LEU 172 Cb 0.55 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2ba1 n LEU 172 CO 0.56 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 2ba1 n GLY 173 N 3.02 1.66 3.89 -0.72 0.00 -1.26 -5.06 105.19 106.72 2ba1 n GLY 173 Ca -0.04 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2ba1 n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ba1 s GLU 174 N 4.53 3.16 0.44 1.61 2.02 -1.26 -3.78 118.70 125.42 2ba1 s GLU 174 Ca 0.00 -0.91 -0.22 0.00 0.02 0.00 0.00 54.97 53.86 2ba1 s GLU 174 Cb 0.00 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.42 2ba1 s GLU 174 CO 0.00 0.42 1.02 -0.51 0.02 0.00 0.00 175.26 176.21 2ba1 s ASP 175 N -3.88 6.62 0.08 -0.19 1.01 -1.26 -4.60 116.67 114.45 2ba1 s ASP 175 Ca 0.33 1.92 -0.11 0.00 0.71 0.00 0.00 52.55 55.40 2ba1 s ASP 175 Cb -0.08 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2ba1 s ASP 175 CO 0.27 -0.59 0.26 -0.72 0.21 0.00 0.00 175.17 174.60 2ba1 s TYR 176 N -1.90 0.02 0.36 4.23 1.13 -1.25 -5.01 117.35 114.92 2ba1 s TYR 176 Ca 0.63 -0.35 -0.25 0.00 -1.41 0.00 0.00 57.07 55.68 2ba1 s TYR 176 Cb -0.17 0.04 -0.09 0.00 -1.10 0.00 0.00 41.96 40.64 2ba1 s TYR 176 CO 0.21 -0.56 1.01 -0.51 -2.51 0.00 0.00 175.55 173.19 2ba1 s LEU 177 N -2.63 4.26 0.06 -3.49 1.02 -1.26 -0.99 118.68 115.64 2ba1 s LEU 177 Ca 0.02 1.97 -0.31 0.00 0.02 0.00 0.00 54.13 55.83 2ba1 s LEU 177 Cb 0.03 -4.07 -0.08 0.00 0.02 0.00 0.00 46.19 42.08 2ba1 s LEU 177 CO -0.09 -0.28 1.66 -0.22 0.02 0.00 0.00 176.35 177.44 2ba1 s LEU 178 N -2.30 4.36 -0.58 1.79 2.96 0.10 -4.83 118.68 120.18 2ba1 s LEU 178 Ca 0.53 2.48 -0.27 0.00 -0.22 0.00 0.00 54.13 56.65 2ba1 s LEU 178 Cb -0.21 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 2ba1 s LEU 178 CO 0.27 -0.90 1.64 -2.16 -1.32 0.00 0.00 176.35 173.88 2ba1 s PRO 179 N 2.78 2.98 -0.34 0.98 0.04 -1.26 -4.89 135.00 135.29 2ba1 s PRO 179 Ca 0.74 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 2ba1 s PRO 179 Cb -0.40 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.87 2ba1 s PRO 179 CO 0.32 -2.32 0.27 0.08 0.04 0.00 0.00 177.00 175.39 2ba1 s VAL 180 N 7.48 5.26 -1.40 -0.36 1.01 -1.26 -3.62 120.40 127.50 2ba1 s VAL 180 Ca 0.60 -0.17 0.24 0.00 0.00 0.00 0.00 61.98 62.64 2ba1 s VAL 180 Cb -0.12 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2ba1 s VAL 180 CO 0.23 -0.04 1.27 -1.14 0.00 0.00 0.00 175.10 175.41 2ba1 n ARG 181 N 5.17 0.46 -4.06 2.72 0.63 0.35 -4.97 116.66 116.96 2ba1 n ARG 181 Ca -0.12 -0.33 -0.13 0.00 -0.92 0.00 0.00 57.85 56.36 2ba1 n ARG 181 Cb 0.50 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.86 2ba1 n ARG 181 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2ba1 s ASP 182 N -2.76 0.52 -0.48 6.15 3.68 -1.23 -4.92 116.67 117.63 2ba1 s ASP 182 Ca 0.15 -1.30 0.05 0.00 2.13 0.00 0.00 52.55 53.58 2ba1 s ASP 182 Cb 0.18 0.62 0.19 0.00 -1.45 0.00 0.00 42.92 42.46 2ba1 s ASP 182 CO 0.67 -1.23 0.43 -0.11 0.13 0.00 0.00 175.17 175.05 2ba1 n LEU 183 N -0.48 0.54 -4.72 -1.34 0.00 -1.26 -4.79 117.00 104.95 2ba1 n LEU 183 Ca -0.00 -4.65 -0.42 0.00 0.00 0.00 0.00 56.01 50.94 2ba1 n LEU 183 Cb 0.62 0.25 -0.03 0.00 0.00 0.00 0.00 43.42 44.26 2ba1 n LEU 183 CO 0.28 1.89 1.28 -2.84 0.00 0.00 0.00 177.39 178.00 2ba1 s PRO 184 N -0.60 4.19 -0.04 1.96 0.02 -1.26 -4.24 135.00 135.03 2ba1 s PRO 184 Ca 0.32 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.79 2ba1 s PRO 184 Cb 0.05 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.44 2ba1 s PRO 184 CO -0.17 -0.66 -0.03 0.08 -0.33 0.00 0.00 177.00 175.89 2ba1 s VAL 185 N 1.22 0.42 -0.04 3.83 1.01 -0.72 -4.82 120.40 121.30 2ba1 s VAL 185 Ca 0.72 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2ba1 s VAL 185 Cb -0.45 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2ba1 s VAL 185 CO 0.32 0.19 -0.10 -0.94 0.00 0.00 0.00 175.10 174.57 2ba1 s SER 186 N 0.83 4.42 -0.22 3.32 1.04 -1.26 -0.35 113.70 121.47 2ba1 s SER 186 Ca -0.10 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.22 2ba1 s SER 186 Cb -0.13 -1.02 0.04 0.00 0.10 0.00 0.00 66.02 65.00 2ba1 s SER 186 CO -0.00 0.33 -0.15 -0.69 0.98 0.00 0.00 173.24 173.71 2ba1 s VAL 187 N -0.84 2.20 -0.12 5.02 1.01 0.47 -4.70 120.40 123.44 2ba1 s VAL 187 Ca 0.13 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 2ba1 s VAL 187 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2ba1 s VAL 187 CO 0.03 0.26 0.03 -0.89 0.00 0.00 0.00 175.10 174.53 2ba1 s THR 188 N 1.21 4.56 0.06 3.92 2.01 -1.26 -1.02 115.64 125.12 2ba1 s THR 188 Ca -0.01 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 61.92 2ba1 s THR 188 Cb -0.16 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2ba1 s THR 188 CO -0.09 0.56 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.77 2ba1 s SER 189 N -0.49 2.36 -0.28 3.53 0.01 0.13 -1.35 113.70 117.60 2ba1 s SER 189 Ca 0.09 -0.57 -0.21 0.00 1.31 0.00 0.00 55.95 56.58 2ba1 s SER 189 Cb -0.12 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 2ba1 s SER 189 CO 0.02 0.10 0.64 -0.22 0.41 0.00 0.00 173.24 174.20 2ba1 s LEU 190 N -1.41 4.10 -0.20 2.44 0.20 -0.25 -1.26 118.68 122.30 2ba1 s LEU 190 Ca 0.06 0.57 -0.15 0.00 0.69 0.00 0.00 54.13 55.30 2ba1 s LEU 190 Cb -0.09 -2.85 -0.04 0.00 -0.43 0.00 0.00 46.19 42.77 2ba1 s LEU 190 CO 0.02 -0.44 0.37 -0.63 -0.29 0.00 0.00 176.35 175.38 2ba1 s ILE 191 N 2.59 5.22 -0.19 6.68 -1.09 0.25 -0.56 121.20 134.11 2ba1 s ILE 191 Ca 0.26 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.32 2ba1 s ILE 191 Cb -0.15 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 2ba1 s ILE 191 CO 0.10 0.27 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.38 2ba1 s VAL 192 N 1.20 0.96 0.00 2.92 1.01 0.14 -4.68 120.40 121.95 2ba1 s VAL 192 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2ba1 s VAL 192 Cb -0.14 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2ba1 s VAL 192 CO 0.07 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2ba1 n GLY 193 N 4.90 4.27 0.89 4.51 0.00 -1.26 -0.35 105.19 118.15 2ba1 n GLY 193 Ca -0.11 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2ba1 n GLY 193 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ba1 n ASN 194 N 9.00 2.86 -4.94 1.61 2.85 -1.26 -4.88 115.26 120.50 2ba1 n ASN 194 Ca 0.00 -1.93 -0.21 0.00 -0.11 0.00 0.00 54.58 52.33 2ba1 n ASN 194 Cb 0.00 0.01 -0.03 0.00 1.24 0.00 0.00 39.78 41.01 2ba1 n ASN 194 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2ba1 s LYS 195 N -1.90 3.33 0.06 1.20 3.01 0.52 -4.92 119.74 121.05 2ba1 s LYS 195 Ca 0.26 -0.81 0.05 0.00 -1.01 0.00 0.00 55.97 54.45 2ba1 s LYS 195 Cb 0.19 -2.82 -0.03 0.00 -1.01 0.00 0.00 37.83 34.16 2ba1 s LYS 195 CO 0.29 0.43 -0.14 1.52 0.51 0.00 0.00 175.35 177.96 2ba1 s TYR 196 N -2.00 1.17 -0.29 3.18 -0.85 -1.26 -0.69 117.35 116.61 2ba1 s TYR 196 Ca 0.34 -0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 56.45 2ba1 s TYR 196 Cb -0.09 -0.67 0.09 0.00 0.38 0.00 0.00 41.96 41.67 2ba1 s TYR 196 CO 0.28 0.04 0.07 -0.51 -1.52 0.00 0.00 175.55 173.91 2ba1 s LEU 197 N -1.55 2.40 0.35 -3.49 1.02 0.28 -4.87 118.68 112.81 2ba1 s LEU 197 Ca -0.02 -1.54 -0.28 0.00 0.02 0.00 0.00 54.13 52.31 2ba1 s LEU 197 Cb -0.09 -0.94 -0.11 0.00 0.02 0.00 0.00 46.19 45.07 2ba1 s LEU 197 CO 0.02 -0.38 1.44 -0.69 0.02 0.00 0.00 176.35 176.76 2ba1 s VAL 198 N 1.55 2.27 -0.77 -1.59 1.01 0.98 -1.09 120.40 122.76 2ba1 s VAL 198 Ca 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2ba1 s VAL 198 Cb -0.18 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2ba1 s VAL 198 CO -0.19 0.06 0.65 -0.67 0.00 0.00 0.00 175.10 174.95 2ba1 n ASP 199 N 0.80 -6.40 -4.78 3.32 4.64 -0.46 -4.67 116.55 109.01 2ba1 n ASP 199 Ca 0.02 -0.48 -0.34 0.00 -1.38 0.00 0.00 54.79 52.60 2ba1 n ASP 199 Cb 0.40 -3.56 0.00 0.00 -1.04 0.00 0.00 41.12 36.91 2ba1 n ASP 199 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2ba1 s PRO 200 N -3.88 3.38 0.26 -0.67 0.04 -1.25 -4.81 135.00 128.07 2ba1 s PRO 200 Ca 0.01 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.61 2ba1 s PRO 200 Cb -0.00 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2ba1 s PRO 200 CO 0.82 -0.81 0.40 -1.54 0.04 0.00 0.00 177.00 175.91 2ba1 s SER 201 N -1.95 6.30 0.40 6.66 1.04 -1.26 -3.30 113.70 121.58 2ba1 s SER 201 Ca 0.71 0.12 0.19 0.00 0.48 0.00 0.00 55.95 57.44 2ba1 s SER 201 Cb -0.22 -1.86 1.12 0.00 0.10 0.00 0.00 66.02 65.16 2ba1 s SER 201 CO 0.28 -0.12 1.76 -0.09 0.98 0.00 0.00 173.24 176.04 2ba1 h ARG 202 N 1.09 0.37 0.24 4.02 9.65 -0.56 0.15 114.38 129.33 2ba1 h ARG 202 Ca -0.51 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.33 2ba1 h ARG 202 Cb 1.23 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2ba1 h ARG 202 CO 0.61 0.24 -0.11 0.93 2.80 0.00 0.00 179.97 184.44 2ba1 h GLU 203 N 0.38 -0.31 -0.49 0.20 4.39 -1.94 -2.99 114.58 113.82 2ba1 h GLU 203 Ca 0.61 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.29 2ba1 h GLU 203 Cb 1.55 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.25 2ba1 h GLU 203 CO -0.31 -0.15 0.14 0.93 -1.16 0.00 0.00 179.01 178.47 2ba1 h GLU 204 N -0.40 0.73 0.00 2.33 5.08 -1.19 -2.49 114.58 118.65 2ba1 h GLU 204 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ba1 h GLU 204 Cb 0.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2ba1 h GLU 204 CO 0.05 0.65 0.05 -1.33 -1.00 0.00 0.00 179.01 177.43 2ba1 n MET 205 N -4.31 0.06 0.25 2.33 2.81 -0.08 -1.52 117.12 116.66 2ba1 n MET 205 Ca 0.04 0.53 0.17 0.00 -1.81 0.00 0.00 57.70 56.62 2ba1 n MET 205 Cb 0.20 -1.74 0.76 0.00 -0.71 0.00 0.00 33.22 31.73 2ba1 n MET 205 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ba1 h SER 206 N 0.00 0.00 0.11 7.83 4.64 -1.47 -2.04 113.55 122.63 2ba1 h SER 206 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2ba1 h SER 206 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2ba1 h SER 206 CO 0.00 0.00 -0.24 0.58 -0.87 0.00 0.00 176.83 176.30 2ba1 h VAL 207 N 0.00 1.23 0.00 0.95 2.07 -1.51 -3.43 116.25 115.56 2ba1 h VAL 207 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2ba1 h VAL 207 Cb 0.33 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2ba1 h VAL 207 CO 0.00 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.53 2ba1 n GLY 208 N -0.60 1.58 2.77 2.17 0.00 -0.77 -5.02 105.19 105.33 2ba1 n GLY 208 Ca -0.01 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 2ba1 n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ba1 n ASP 209 N 0.00 5.89 -4.10 1.61 -0.08 -1.26 -4.74 116.55 113.87 2ba1 n ASP 209 Ca 0.00 -3.65 -0.34 0.00 -1.51 0.00 0.00 54.79 49.29 2ba1 n ASP 209 Cb 0.00 -0.90 -0.13 0.00 2.34 0.00 0.00 41.12 42.43 2ba1 n ASP 209 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2ba1 s THR 210 N -4.14 2.87 0.26 5.18 -4.23 -1.26 -3.64 115.64 110.68 2ba1 s THR 210 Ca 0.42 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2ba1 s THR 210 Cb 0.21 -2.91 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 2ba1 s THR 210 CO -0.11 -0.47 0.00 0.42 -0.54 0.00 0.00 174.62 173.92 2ba1 s THR 211 N 1.10 1.17 -0.02 3.99 -4.23 -0.22 -0.58 115.64 116.85 2ba1 s THR 211 Ca 0.04 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2ba1 s THR 211 Cb -0.21 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 2ba1 s THR 211 CO -0.04 -0.24 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.45 2ba1 s LEU 212 N -3.37 1.91 -0.07 4.79 1.98 -0.39 -1.18 118.68 122.35 2ba1 s LEU 212 Ca 0.31 -0.25 0.01 0.00 -2.89 0.00 0.00 54.13 51.31 2ba1 s LEU 212 Cb 0.06 -0.70 0.02 0.00 0.66 0.00 0.00 46.19 46.23 2ba1 s LEU 212 CO 0.11 0.12 -0.09 -0.89 -1.89 0.00 0.00 176.35 173.71 2ba1 s THR 213 N -0.05 0.99 -0.14 3.68 2.01 -0.18 0.17 115.64 122.12 2ba1 s THR 213 Ca 0.00 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2ba1 s THR 213 Cb -0.08 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.50 2ba1 s THR 213 CO 0.00 0.33 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.48 2ba1 s ILE 214 N 1.01 1.66 -0.16 1.82 1.01 -0.19 -1.07 121.20 125.29 2ba1 s ILE 214 Ca -0.08 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 2ba1 s ILE 214 Cb -0.15 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2ba1 s ILE 214 CO -0.00 0.47 0.09 -0.89 0.00 0.00 0.00 174.94 174.61 2ba1 s THR 215 N 1.28 5.03 0.26 2.92 2.01 0.16 -0.40 115.64 126.92 2ba1 s THR 215 Ca 0.01 0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.16 2ba1 s THR 215 Cb -0.14 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 2ba1 s THR 215 CO -0.08 0.52 -0.17 0.28 -0.69 0.00 0.00 174.62 174.48 2ba1 s THR 216 N -0.16 2.20 0.29 -0.82 -1.32 0.52 -0.35 115.64 116.01 2ba1 s THR 216 Ca 0.08 -2.32 0.02 0.00 -1.21 0.00 0.00 61.69 58.26 2ba1 s THR 216 Cb -0.12 -2.25 0.02 0.00 -1.51 0.00 0.00 72.50 68.64 2ba1 s THR 216 CO 0.01 -0.44 0.16 -0.90 -2.21 0.00 0.00 174.62 171.24 2ba1 n ASP 217 N -0.56 2.14 -0.21 8.08 5.68 -0.39 -1.76 116.55 129.54 2ba1 n ASP 217 Ca -0.06 -2.05 0.18 0.00 -0.50 0.00 0.00 54.79 52.36 2ba1 n ASP 217 Cb 0.60 0.03 0.52 0.00 -1.14 0.00 0.00 41.12 41.14 2ba1 n ASP 217 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2ba1 h LYS 218 N 0.00 0.38 -0.64 0.11 3.64 -1.90 -1.04 116.57 117.12 2ba1 h LYS 218 Ca -0.19 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2ba1 h LYS 218 Cb 0.67 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2ba1 h LYS 218 CO 0.31 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 177.49 2ba1 n ASP 219 N -4.49 5.07 -1.32 4.20 8.00 -1.26 -4.90 116.55 121.85 2ba1 n ASP 219 Ca 0.17 -2.80 -0.16 0.00 0.71 0.00 0.00 54.79 52.71 2ba1 n ASP 219 Cb 0.64 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2ba1 n ASP 219 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ba1 n ASP 220 N 0.53 -4.92 -4.82 -2.24 9.92 -0.39 -4.98 116.55 109.64 2ba1 n ASP 220 Ca 0.24 0.34 -0.36 0.00 -0.53 0.00 0.00 54.79 54.48 2ba1 n ASP 220 Cb 1.07 -3.87 -0.06 0.00 -0.64 0.00 0.00 41.12 37.62 2ba1 n ASP 220 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2ba1 s ASN 221 N -2.75 6.99 -0.11 -2.24 -0.87 -1.26 -4.82 114.94 109.88 2ba1 s ASN 221 Ca 0.00 1.29 -0.30 0.00 -1.57 0.00 0.00 52.86 52.28 2ba1 s ASN 221 Cb 0.00 -2.37 -0.02 0.00 -0.02 0.00 0.00 41.25 38.84 2ba1 s ASN 221 CO 0.00 0.09 1.11 -0.69 -2.57 0.00 0.00 177.10 175.04 2ba1 s VAL 222 N -1.44 4.53 -0.20 1.60 1.01 -1.26 -1.26 120.40 123.38 2ba1 s VAL 222 Ca 0.39 1.83 0.14 0.00 0.00 0.00 0.00 61.98 64.34 2ba1 s VAL 222 Cb -0.17 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 2ba1 s VAL 222 CO 0.20 -0.04 0.01 0.52 0.00 0.00 0.00 175.10 175.80 2ba1 n VAL 223 N 4.76 1.33 -3.56 2.92 0.31 0.53 -4.94 118.33 119.68 2ba1 n VAL 223 Ca 0.10 -0.76 -0.17 0.00 -0.01 0.00 0.00 64.34 63.51 2ba1 n VAL 223 Cb 0.47 -0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 2ba1 n VAL 223 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ba1 s ALA 224 N -2.47 -1.56 0.00 3.52 0.00 -1.04 -4.81 121.76 115.40 2ba1 s ALA 224 Ca -0.14 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 2ba1 s ALA 224 Cb 0.06 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2ba1 s ALA 224 CO 0.74 -0.38 0.21 -1.64 0.00 0.00 0.00 175.76 174.69 2ba1 s MET 225 N -1.45 0.58 -0.30 0.00 -1.94 -1.26 0.40 119.30 115.33 2ba1 s MET 225 Ca -0.10 -0.35 -0.09 0.00 -1.71 0.00 0.00 55.69 53.44 2ba1 s MET 225 Cb -0.01 0.25 0.15 0.00 2.01 0.00 0.00 34.83 37.23 2ba1 s MET 225 CO 0.07 -0.15 0.71 -1.14 -0.01 0.00 0.00 175.02 174.50 2ba1 s GLN 226 N -1.49 0.52 -0.16 2.03 2.00 -0.23 -4.99 119.66 117.34 2ba1 s GLN 226 Ca -0.13 1.22 -0.07 0.00 -2.00 0.00 0.00 55.36 54.37 2ba1 s GLN 226 Cb -0.06 0.72 -0.04 0.00 0.80 0.00 0.00 33.01 34.43 2ba1 s GLN 226 CO 0.02 -0.27 0.09 -1.59 -0.50 0.00 0.00 175.29 173.04 2ba1 s LYS 227 N 2.82 3.82 0.08 1.67 0.00 -1.26 -1.01 119.74 125.87 2ba1 s LYS 227 Ca -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 55.97 55.77 2ba1 s LYS 227 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 37.83 34.47 2ba1 s LYS 227 CO -0.19 0.43 -0.20 -1.12 0.00 0.00 0.00 175.35 174.27 2ba1 s SER 228 N -0.05 2.42 0.00 0.03 0.01 -0.32 -5.00 113.70 110.78 2ba1 s SER 228 Ca 0.08 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2ba1 s SER 228 Cb -0.12 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2ba1 s SER 228 CO 0.01 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2ba1 n GLY 229 N 1.29 2.68 3.48 3.44 0.00 -1.24 -1.05 105.19 113.79 2ba1 n GLY 229 Ca -0.19 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 2ba1 n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ba1 s GLY 230 N 0.00 1.83 0.11 -0.02 0.00 -1.26 -4.93 107.32 103.05 2ba1 s GLY 230 Ca 0.00 -2.73 -0.25 0.00 0.00 0.00 0.00 44.72 41.74 2ba1 s GLY 230 CO 0.00 2.18 0.76 -2.52 0.00 0.00 0.00 173.10 173.52 2ba1 s TYR 231 N 3.11 -0.38 -0.31 1.90 -0.85 -1.26 -5.01 117.35 114.54 2ba1 s TYR 231 Ca 0.37 0.16 -0.12 0.00 -0.52 0.00 0.00 57.07 56.97 2ba1 s TYR 231 Cb -0.03 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 2ba1 s TYR 231 CO -0.08 -0.78 0.21 -0.51 -1.52 0.00 0.00 175.55 172.87 2ba1 s LEU 232 N -2.70 4.25 -0.21 -3.49 1.43 -1.26 -5.05 118.68 111.65 2ba1 s LEU 232 Ca 0.05 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 2ba1 s LEU 232 Cb -0.02 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2ba1 s LEU 232 CO -0.08 -0.13 0.97 -0.22 0.23 0.00 0.00 176.35 177.12 2ba1 s LEU 233 N 1.74 4.12 0.20 1.79 0.20 -1.26 -5.02 118.68 120.46 2ba1 s LEU 233 Ca 0.07 1.31 -0.30 0.00 0.69 0.00 0.00 54.13 55.90 2ba1 s LEU 233 Cb -0.17 -3.44 -0.09 0.00 -0.43 0.00 0.00 46.19 42.07 2ba1 s LEU 233 CO 0.11 -0.58 1.27 -0.62 -0.29 0.00 0.00 176.35 176.24 2ba1 s ASP 234 N 1.21 6.96 0.24 3.68 -1.08 -1.26 -4.94 116.67 121.48 2ba1 s ASP 234 Ca 0.42 2.35 -0.07 0.00 -0.52 0.00 0.00 52.55 54.73 2ba1 s ASP 234 Cb -0.16 -2.61 0.23 0.00 -1.46 0.00 0.00 42.92 38.92 2ba1 s ASP 234 CO 0.09 -0.47 1.90 -0.08 0.52 0.00 0.00 175.17 177.13 2ba1 h GLU 235 N 5.27 1.26 -0.38 4.34 4.81 -1.99 -0.91 114.58 126.99 2ba1 h GLU 235 Ca -0.45 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 2ba1 h GLU 235 Cb 1.21 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2ba1 h GLU 235 CO 0.76 0.86 -0.11 -0.22 -0.73 0.00 0.00 179.01 179.57 2ba1 h LYS 236 N 1.29 0.74 -0.81 1.92 3.11 -2.00 -1.30 116.57 119.52 2ba1 h LYS 236 Ca 0.34 -0.29 -0.02 0.00 -2.81 0.00 0.00 60.65 57.87 2ba1 h LYS 236 Cb -0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.06 2ba1 h LYS 236 CO -0.07 0.89 0.43 1.25 -2.81 0.00 0.00 179.45 179.14 2ba1 h LEU 237 N 0.54 1.02 -0.23 5.20 6.46 -1.84 -2.43 115.31 124.04 2ba1 h LEU 237 Ca 0.09 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2ba1 h LEU 237 Cb 0.63 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2ba1 h LEU 237 CO 0.04 0.84 0.14 0.15 -0.62 0.00 0.00 178.44 178.99 2ba1 h PHE 238 N 1.13 0.30 -0.93 1.25 3.57 -0.94 -0.84 116.94 120.48 2ba1 h PHE 238 Ca 0.28 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.89 2ba1 h PHE 238 Cb 0.06 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.62 2ba1 h PHE 238 CO 0.01 0.23 0.57 -0.44 -2.23 0.00 0.00 178.31 176.45 2ba1 h ASP 239 N 0.29 0.84 -0.21 0.41 3.32 -0.82 0.07 116.42 120.31 2ba1 h ASP 239 Ca 0.08 0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.97 2ba1 h ASP 239 Cb 0.02 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.45 2ba1 h ASP 239 CO -0.02 0.47 -0.67 -0.33 -1.72 0.00 0.00 179.24 176.97 2ba1 h GLU 240 N 0.94 0.84 0.00 3.56 5.08 -1.21 -3.00 114.58 120.79 2ba1 h GLU 240 Ca 0.45 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2ba1 h GLU 240 Cb 0.40 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ba1 h GLU 240 CO -0.25 1.23 -0.18 1.25 -1.00 0.00 0.00 179.01 180.06 2ba1 h LEU 241 N 0.61 0.00 0.83 1.33 5.85 -0.49 -1.30 115.31 122.13 2ba1 h LEU 241 Ca -0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2ba1 h LEU 241 Cb 1.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.33 2ba1 h LEU 241 CO 0.14 0.18 -0.40 0.25 -0.34 0.00 0.00 178.44 178.27 2ba1 h LEU 242 N 0.00 -0.95 -0.09 2.25 6.46 -0.86 0.16 115.31 122.28 2ba1 h LEU 242 Ca -0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2ba1 h LEU 242 Cb 0.40 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 2ba1 h LEU 242 CO 0.02 -0.64 -0.05 0.44 -0.62 0.00 0.00 178.44 177.59 2ba1 h ASP 243 N -1.19 -0.17 -0.72 1.25 3.32 -1.48 0.06 116.42 117.49 2ba1 h ASP 243 Ca -0.11 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.08 2ba1 h ASP 243 Cb 0.86 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.42 2ba1 h ASP 243 CO 0.19 -0.07 0.34 0.58 -1.72 0.00 0.00 179.24 178.55 2ba1 h VAL 244 N -0.05 0.79 -0.37 -1.35 2.07 -1.23 -1.39 116.25 114.72 2ba1 h VAL 244 Ca 0.06 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2ba1 h VAL 244 Cb 0.13 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2ba1 h VAL 244 CO -0.12 0.10 -0.14 0.28 0.02 0.00 0.00 177.57 177.71 2ba1 h SER 245 N 0.55 0.76 -0.42 0.57 0.02 -0.09 -0.68 113.55 114.26 2ba1 h SER 245 Ca 0.37 -0.39 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2ba1 h SER 245 Cb 0.45 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2ba1 h SER 245 CO -0.31 0.98 0.14 0.40 -1.14 0.00 0.00 176.83 176.91 2ba1 h ILE 246 N 0.54 0.86 -0.77 3.27 1.08 -0.45 -1.13 117.51 120.90 2ba1 h ILE 246 Ca 0.09 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 2ba1 h ILE 246 Cb 0.67 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 2ba1 h ILE 246 CO 0.05 0.06 0.29 -1.13 -0.69 0.00 0.00 178.15 176.72 2ba1 h ASN 247 N 0.30 1.09 -0.75 1.72 -1.24 -1.10 -2.31 115.58 113.29 2ba1 h ASN 247 Ca 0.20 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 2ba1 h ASN 247 Cb 0.20 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 2ba1 h ASN 247 CO -0.21 0.98 0.38 0.00 -1.29 0.00 0.00 177.43 177.29 2ba1 h ALA 249 N 1.34 1.06 -0.84 0.00 0.00 -0.92 -1.42 119.26 118.49 2ba1 h ALA 249 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2ba1 h ALA 249 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2ba1 h ALA 249 CO -0.04 0.58 0.46 0.00 0.00 0.00 0.00 179.25 180.25 2ba1 h ARG 250 N 0.65 1.17 -0.22 0.00 3.08 -0.91 0.21 114.38 118.36 2ba1 h ARG 250 Ca 0.11 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2ba1 h ARG 250 Cb 0.56 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2ba1 h ARG 250 CO 0.03 0.86 -0.05 0.87 -1.07 0.00 0.00 179.97 180.62 2ba1 h LYS 251 N 1.17 0.42 -0.58 0.04 1.79 -1.09 -2.73 116.57 115.58 2ba1 h LYS 251 Ca 0.30 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2ba1 h LYS 251 Cb 0.03 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2ba1 h LYS 251 CO -0.05 0.65 0.26 -0.07 -1.08 0.00 0.00 179.45 179.16 2ba1 h LEU 252 N 0.15 0.77 -1.97 2.94 3.38 -1.04 -1.94 115.31 117.61 2ba1 h LEU 252 Ca 0.06 -0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.09 2ba1 h LEU 252 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2ba1 h LEU 252 CO 0.02 0.70 0.53 -0.09 0.09 0.00 0.00 178.44 179.69 2ba1 h ARG 253 N 0.79 0.03 0.00 1.13 2.43 -0.47 0.13 114.38 118.42 2ba1 h ARG 253 Ca 0.20 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2ba1 h ARG 253 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2ba1 h ARG 253 CO -0.02 0.02 -0.38 0.93 -1.51 0.00 0.00 179.97 179.01 2ba1 h GLU 254 N 0.03 0.00 0.00 0.20 5.08 -1.04 -2.60 114.58 116.25 2ba1 h GLU 254 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2ba1 h GLU 254 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2ba1 h GLU 254 CO -0.01 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 2ba1 n LYS 255 N -3.70 0.15 0.08 2.33 5.02 0.45 -0.92 118.16 121.57 2ba1 n LYS 255 Ca -0.01 0.60 -0.03 0.00 -2.02 0.00 0.00 58.31 56.85 2ba1 n LYS 255 Cb 0.47 -1.95 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 2ba1 n LYS 255 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2ba1 h PHE 256 N 0.00 0.00 0.00 2.13 0.04 -1.58 -3.36 116.94 114.17 2ba1 h PHE 256 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ba1 h PHE 256 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2ba1 h PHE 256 CO 0.00 0.75 0.00 1.17 -0.60 0.00 0.00 178.31 179.63 2ba1 n LYS 257 N -3.20 0.00 0.00 1.51 4.81 -0.10 -5.19 118.16 116.00 2ba1 n LYS 257 Ca -0.03 0.22 0.15 0.00 -0.87 0.00 0.00 58.31 57.78 2ba1 n LYS 257 Cb 0.86 -1.14 0.75 0.00 0.02 0.00 0.00 35.03 35.52 2ba1 n LYS 257 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96