#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he7 n GLN 2 N 0.00 1.43 -4.10 1.09 6.02 -1.26 -4.88 117.38 115.68 3he7 n GLN 2 Ca 0.00 -0.68 -0.30 0.00 -0.01 0.00 0.00 57.00 56.01 3he7 n GLN 2 Cb 0.00 -1.35 -0.17 0.00 1.02 0.00 0.00 30.24 29.75 3he7 n GLN 2 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3he7 s VAL 3 N -2.25 1.54 -0.12 5.09 1.01 -1.26 -0.65 120.40 123.76 3he7 s VAL 3 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3he7 s VAL 3 Cb 0.15 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 3he7 s VAL 3 CO 0.53 0.45 -0.20 -1.61 0.00 0.00 0.00 175.10 174.27 3he7 s GLU 4 N 1.40 3.16 0.00 2.72 2.02 0.85 -4.50 118.70 124.35 3he7 s GLU 4 Ca 0.03 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.23 3he7 s GLU 4 Cb -0.13 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 3he7 s GLU 4 CO -0.09 0.16 -0.04 -0.65 0.02 0.00 0.00 175.26 174.67 3he7 s GLN 5 N 0.42 2.65 -0.09 1.61 -0.21 -1.26 -0.83 119.66 121.96 3he7 s GLN 5 Ca -0.15 -0.67 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 3he7 s GLN 5 Cb -0.17 -2.58 0.04 0.00 1.00 0.00 0.00 33.01 31.30 3he7 s GLN 5 CO 0.06 0.61 0.20 0.45 -2.12 0.00 0.00 175.29 174.50 3he7 s SER 6 N -1.50 -0.20 1.02 5.90 0.15 -0.28 -4.46 113.70 114.35 3he7 s SER 6 Ca 0.18 0.42 -0.14 0.00 0.70 0.00 0.00 55.95 57.12 3he7 s SER 6 Cb -0.11 0.32 0.19 0.00 -1.71 0.00 0.00 66.02 64.70 3he7 s SER 6 CO 0.09 -0.15 1.04 -0.81 1.20 0.00 0.00 173.24 174.61 3he7 n PRO 7 N 4.12 -1.24 -0.03 5.44 -0.04 -1.26 0.29 135.00 142.27 3he7 n PRO 7 Ca -0.25 -1.61 -0.13 0.00 -0.04 0.00 0.00 63.50 61.47 3he7 n PRO 7 Cb 0.53 -1.12 -0.11 0.00 -0.04 0.00 0.00 33.50 32.76 3he7 n PRO 7 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3he7 h GLN 8 N 0.00 -0.02 -5.61 0.54 4.20 -1.88 -3.41 115.11 108.93 3he7 h GLN 8 Ca -0.34 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.91 3he7 h GLN 8 Cb 0.95 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.53 3he7 h GLN 8 CO 0.24 0.63 -0.79 -1.54 -0.67 0.00 0.00 178.83 176.70 3he7 s SER 9 N -5.85 2.05 -0.05 1.46 1.04 -1.26 0.26 113.70 111.36 3he7 s SER 9 Ca -0.17 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 3he7 s SER 9 Cb -0.00 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3he7 s SER 9 CO 0.66 -0.06 0.06 -0.22 0.98 0.00 0.00 173.24 174.65 3he7 s LEU 10 N -2.05 0.19 -0.30 2.42 2.96 0.18 -4.91 118.68 117.16 3he7 s LEU 10 Ca 0.04 0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.87 3he7 s LEU 10 Cb -0.08 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 3he7 s LEU 10 CO 0.03 -0.25 0.28 -0.69 -1.32 0.00 0.00 176.35 174.41 3he7 s VAL 11 N 2.15 5.24 0.05 1.68 1.01 -1.26 0.17 120.40 129.45 3he7 s VAL 11 Ca 0.05 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.27 3he7 s VAL 11 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3he7 s VAL 11 CO -0.03 0.11 -0.18 0.68 0.00 0.00 0.00 175.10 175.68 3he7 s VAL 12 N 1.89 1.42 0.10 2.92 -7.23 -0.88 -5.00 120.40 113.62 3he7 s VAL 12 Ca 0.10 -1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.77 3he7 s VAL 12 Cb -0.16 -1.27 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 3he7 s VAL 12 CO 0.11 0.05 1.25 -0.13 -0.31 0.00 0.00 175.10 176.07 3he7 s ARG 13 N -1.34 4.41 0.04 4.82 0.52 -1.26 -1.50 118.95 124.64 3he7 s ARG 13 Ca 0.04 1.87 -0.39 0.00 -0.52 0.00 0.00 55.73 56.74 3he7 s ARG 13 Cb -0.09 -3.30 -0.19 0.00 0.52 0.00 0.00 34.95 31.90 3he7 s ARG 13 CO 0.02 -0.27 1.17 0.94 0.02 0.00 0.00 175.30 177.18 3he7 n GLN 14 N 3.63 0.43 0.00 3.54 7.27 -0.37 -1.33 117.38 130.54 3he7 n GLN 14 Ca 0.09 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.31 3he7 n GLN 14 Cb 0.45 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.39 3he7 n GLN 14 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3he7 n GLY 15 N 1.88 1.99 3.96 1.69 0.00 0.11 -4.86 105.19 109.97 3he7 n GLY 15 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3he7 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3he7 s GLU 16 N -0.74 1.15 0.03 1.61 2.02 -0.44 -4.17 118.70 118.17 3he7 s GLU 16 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.21 3he7 s GLU 16 Cb 0.00 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 3he7 s GLU 16 CO 0.00 -1.93 0.12 -0.80 0.02 0.00 0.00 175.26 172.67 3he7 s ASN 17 N -4.82 5.87 0.07 -0.19 0.01 -1.26 -0.07 114.94 114.54 3he7 s ASN 17 Ca 0.70 0.15 0.05 0.00 -0.71 0.00 0.00 52.86 53.06 3he7 s ASN 17 Cb -0.04 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.88 3he7 s ASN 17 CO 0.49 0.22 -0.14 -0.94 -1.51 0.00 0.00 177.10 175.21 3he7 s SER 18 N -2.12 1.71 -0.14 -1.22 1.04 -0.81 -5.01 113.70 107.15 3he7 s SER 18 Ca 0.28 -0.60 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 3he7 s SER 18 Cb -0.12 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 65.97 3he7 s SER 18 CO 0.20 -0.06 -0.09 -0.69 0.98 0.00 0.00 173.24 173.58 3he7 s VAL 19 N -1.22 1.24 -0.08 5.02 1.01 -1.26 -1.85 120.40 123.26 3he7 s VAL 19 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3he7 s VAL 19 Cb -0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3he7 s VAL 19 CO 0.02 0.31 -0.14 -0.76 0.00 0.00 0.00 175.10 174.54 3he7 s LEU 20 N 1.61 2.72 0.01 3.92 1.43 -0.51 -4.77 118.68 123.09 3he7 s LEU 20 Ca 0.03 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3he7 s LEU 20 Cb -0.14 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3he7 s LEU 20 CO -0.09 0.28 -0.04 -1.10 0.23 0.00 0.00 176.35 175.63 3he7 s GLN 21 N -0.31 2.63 -0.05 1.70 -1.52 0.14 -0.82 119.66 121.44 3he7 s GLN 21 Ca 0.03 -0.69 0.01 0.00 -1.95 0.00 0.00 55.36 52.76 3he7 s GLN 21 Cb -0.13 -2.56 0.02 0.00 -0.22 0.00 0.00 33.01 30.12 3he7 s GLN 21 CO 0.03 0.61 -0.06 0.00 -0.25 0.00 0.00 175.29 175.62 3he7 s ASN 23 N 0.98 2.23 0.16 0.00 0.01 -0.01 -0.41 114.94 117.89 3he7 s ASN 23 Ca -0.10 -0.50 -0.05 0.00 -0.71 0.00 0.00 52.86 51.50 3he7 s ASN 23 Cb -0.14 -0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 3he7 s ASN 23 CO 0.00 0.12 0.19 -0.72 -1.51 0.00 0.00 177.10 175.18 3he7 s TYR 24 N -0.81 0.67 -0.06 2.20 -0.85 -1.05 -0.10 117.35 117.34 3he7 s TYR 24 Ca 0.06 -1.02 0.02 0.00 -0.52 0.00 0.00 57.07 55.60 3he7 s TYR 24 Cb -0.08 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 41.96 3he7 s TYR 24 CO 0.02 -0.65 0.07 0.43 -1.52 0.00 0.00 175.55 173.90 3he7 n SER 25 N -0.18 1.50 -4.63 -0.18 7.64 0.17 -4.85 113.62 113.10 3he7 n SER 25 Ca -0.05 -0.37 -0.59 0.00 1.01 0.00 0.00 58.87 58.87 3he7 n SER 25 Cb 0.64 1.03 -0.08 0.00 -1.01 0.00 0.00 64.21 64.79 3he7 n SER 25 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3he7 n VAL 26 N -1.21 0.07 -3.80 0.44 0.31 -1.26 -4.99 118.33 107.89 3he7 n VAL 26 Ca 0.00 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 3he7 n VAL 26 Cb 0.04 -0.61 -0.15 0.00 -0.91 0.00 0.00 33.84 32.20 3he7 n VAL 26 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3he7 s THR 27 N 1.59 -0.04 0.79 2.52 -4.23 -1.26 -3.94 115.64 111.07 3he7 s THR 27 Ca 0.94 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 61.50 3he7 s THR 27 Cb -1.19 -0.07 0.07 0.00 1.34 0.00 0.00 72.50 72.65 3he7 s THR 27 CO 0.62 0.06 1.10 -2.16 -0.54 0.00 0.00 174.62 173.70 3he7 s PRO 28 N 0.78 2.06 -0.50 3.99 0.04 -1.26 -5.02 135.00 135.09 3he7 s PRO 28 Ca -0.06 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 3he7 s PRO 28 Cb -0.09 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.71 3he7 s PRO 28 CO -0.02 -1.80 0.28 0.16 0.04 0.00 0.00 177.00 175.65 3he7 s ASP 29 N -3.26 4.94 -0.09 6.66 3.84 -1.25 -4.12 116.67 123.38 3he7 s ASP 29 Ca 0.62 -2.59 -0.16 0.00 -0.00 0.00 0.00 52.55 50.42 3he7 s ASP 29 Cb -0.18 -1.76 -0.13 0.00 -1.38 0.00 0.00 42.92 39.47 3he7 s ASP 29 CO 0.56 -0.38 0.55 -1.13 -0.00 0.00 0.00 175.17 174.77 3he7 h ASN 30 N 7.23 -0.09 -5.10 2.11 -0.73 -1.24 -3.49 115.58 114.28 3he7 h ASN 30 Ca -0.06 -0.40 -0.12 0.00 1.87 0.00 0.00 56.30 57.59 3he7 h ASN 30 Cb 0.97 0.02 -0.17 0.00 0.27 0.00 0.00 38.32 39.41 3he7 h ASN 30 CO 0.67 0.56 -0.51 -1.38 -0.37 0.00 0.00 177.43 176.41 3he7 s HIS 31 N -2.48 0.20 -0.13 0.67 -3.43 -1.17 -4.67 115.29 104.27 3he7 s HIS 31 Ca -0.10 -0.51 0.02 0.00 -0.80 0.00 0.00 55.06 53.67 3he7 s HIS 31 Cb -0.01 -0.14 0.01 0.00 -1.43 0.00 0.00 32.58 31.02 3he7 s HIS 31 CO 0.37 -0.38 -0.17 -1.17 -2.00 0.00 0.00 174.74 171.38 3he7 s LEU 32 N -2.20 1.85 -0.10 5.38 0.20 0.05 -1.72 118.68 122.14 3he7 s LEU 32 Ca -0.04 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.25 3he7 s LEU 32 Cb -0.00 -1.23 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 3he7 s LEU 32 CO -0.05 0.02 0.02 -0.13 -0.29 0.00 0.00 176.35 175.92 3he7 s ARG 33 N 1.05 3.11 -0.16 1.98 0.52 0.45 -0.63 118.95 125.27 3he7 s ARG 33 Ca -0.04 -0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 54.75 3he7 s ARG 33 Cb -0.15 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 3he7 s ARG 33 CO -0.04 0.69 0.03 -1.58 0.02 0.00 0.00 175.30 174.42 3he7 s TRP 34 N -0.82 3.20 0.12 -0.53 0.52 -0.71 -1.05 118.94 119.67 3he7 s TRP 34 Ca 0.13 0.02 0.11 0.00 0.02 0.00 0.00 56.10 56.38 3he7 s TRP 34 Cb -0.12 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 3he7 s TRP 34 CO 0.02 0.19 -0.27 -0.06 0.02 0.00 0.00 176.95 176.86 3he7 s PHE 35 N 0.10 2.29 -0.17 -1.98 0.08 0.10 -0.48 117.98 117.92 3he7 s PHE 35 Ca 0.03 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 3he7 s PHE 35 Cb -0.13 -1.26 -0.00 0.00 -0.57 0.00 0.00 43.02 41.07 3he7 s PHE 35 CO 0.01 0.30 -0.14 0.21 -0.10 0.00 0.00 175.22 175.51 3he7 s LYS 36 N -1.93 3.23 -0.25 0.44 2.20 0.86 -0.56 119.74 123.73 3he7 s LYS 36 Ca 0.13 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 3he7 s LYS 36 Cb -0.10 -2.68 0.06 0.00 -1.51 0.00 0.00 37.83 33.60 3he7 s LYS 36 CO 0.05 -0.03 -0.09 -1.14 -0.36 0.00 0.00 175.35 173.79 3he7 s GLN 37 N 0.94 1.99 0.60 4.03 0.74 0.52 -0.66 119.66 127.83 3he7 s GLN 37 Ca -0.03 -1.22 -0.15 0.00 0.05 0.00 0.00 55.36 54.02 3he7 s GLN 37 Cb -0.15 -2.78 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 3he7 s GLN 37 CO -0.02 -0.59 1.05 -0.51 -0.55 0.00 0.00 175.29 174.67 3he7 s ASP 38 N 1.21 5.85 0.26 6.67 1.01 -1.26 -0.85 116.67 129.56 3he7 s ASP 38 Ca -0.08 1.72 -0.31 0.00 0.71 0.00 0.00 52.55 54.60 3he7 s ASP 38 Cb -0.20 -2.52 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 3he7 s ASP 38 CO -0.06 -1.12 1.55 0.41 0.21 0.00 0.00 175.17 176.17 3he7 n THR 39 N -2.20 0.82 -0.88 -1.27 -1.04 -1.26 -1.67 114.28 106.77 3he7 n THR 39 Ca 0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3he7 n THR 39 Cb 0.53 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 3he7 n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3he7 n GLY 40 N 2.44 0.66 3.73 3.41 0.00 -1.26 -4.99 105.19 109.18 3he7 n GLY 40 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3he7 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3he7 s LYS 41 N -0.33 2.27 0.95 1.61 -0.14 -0.67 -5.14 119.74 118.30 3he7 s LYS 41 Ca 0.00 -1.71 -0.14 0.00 -1.36 0.00 0.00 55.97 52.75 3he7 s LYS 41 Cb 0.00 -2.06 0.17 0.00 -1.68 0.00 0.00 37.83 34.26 3he7 s LYS 41 CO 0.00 -0.01 1.19 0.20 -0.76 0.00 0.00 175.35 175.97 3he7 s GLY 42 N -3.87 1.64 0.26 -3.33 0.00 -1.26 -4.68 107.32 96.07 3he7 s GLY 42 Ca 0.39 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 3he7 s GLY 42 CO 0.22 -0.15 0.94 1.08 0.00 0.00 0.00 173.10 175.20 3he7 s LEU 43 N -6.06 4.56 -0.08 0.66 1.02 -1.26 -4.32 118.68 113.19 3he7 s LEU 43 Ca 0.67 1.91 0.04 0.00 0.02 0.00 0.00 54.13 56.77 3he7 s LEU 43 Cb -0.10 -3.72 0.00 0.00 0.02 0.00 0.00 46.19 42.39 3he7 s LEU 43 CO 0.53 0.09 -0.20 -0.69 0.02 0.00 0.00 176.35 176.10 3he7 s VAL 44 N -1.31 1.74 0.24 -1.59 1.01 0.16 -4.93 120.40 115.72 3he7 s VAL 44 Ca 0.44 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3he7 s VAL 44 Cb -0.24 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 3he7 s VAL 44 CO 0.29 0.49 1.29 -0.55 0.00 0.00 0.00 175.10 176.63 3he7 s SER 45 N 0.41 6.89 -0.24 3.32 0.15 -1.26 -0.10 113.70 122.88 3he7 s SER 45 Ca -0.16 2.46 -0.06 0.00 0.70 0.00 0.00 55.95 58.89 3he7 s SER 45 Cb -0.17 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 61.40 3he7 s SER 45 CO 0.07 -0.50 -0.27 0.18 1.20 0.00 0.00 173.24 173.92 3he7 n LEU 46 N 2.08 2.26 -3.49 3.45 4.77 0.37 -4.89 117.00 121.56 3he7 n LEU 46 Ca 0.04 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 3he7 n LEU 46 Cb 0.43 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3he7 n LEU 46 CO 0.58 0.67 0.48 0.28 -1.33 0.00 0.00 177.39 178.07 3he7 s THR 47 N -2.45 0.00 -0.08 -5.08 -1.32 -1.21 -4.77 115.64 100.72 3he7 s THR 47 Ca -0.33 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.18 3he7 s THR 47 Cb 0.11 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.11 3he7 s THR 47 CO 0.47 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 172.03 3he7 s VAL 48 N -2.24 1.45 -0.11 5.08 1.01 -1.26 -1.73 120.40 122.59 3he7 s VAL 48 Ca -0.05 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3he7 s VAL 48 Cb -0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3he7 s VAL 48 CO -0.00 0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 174.58 3he7 s LEU 49 N 0.59 2.40 0.00 3.92 1.43 0.20 -4.95 118.68 122.27 3he7 s LEU 49 Ca -0.15 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3he7 s LEU 49 Cb -0.16 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3he7 s LEU 49 CO 0.05 0.16 0.00 0.52 0.23 0.00 0.00 176.35 177.31 3he7 n VAL 50 N 3.52 0.00 -1.39 -1.59 0.31 -1.26 -0.77 118.33 117.15 3he7 n VAL 50 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 3he7 n VAL 50 Cb 0.53 -0.81 0.14 0.00 -0.91 0.00 0.00 33.84 32.79 3he7 n VAL 50 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3he7 s ASP 51 N -4.32 3.31 0.07 4.52 1.01 -1.26 -4.74 116.67 115.26 3he7 s ASP 51 Ca 0.00 1.11 -0.24 0.00 0.71 0.00 0.00 52.55 54.13 3he7 s ASP 51 Cb 0.00 -1.74 -0.16 0.00 1.01 0.00 0.00 42.92 42.03 3he7 s ASP 51 CO 0.00 -2.69 1.65 -0.61 0.21 0.00 0.00 175.17 173.73 3he7 h GLN 52 N -1.59 -0.06 -4.34 8.23 5.75 -1.96 -3.34 115.11 117.79 3he7 h GLN 52 Ca -0.51 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.32 3he7 h GLN 52 Cb 1.32 0.01 -0.38 0.00 1.07 0.00 0.00 27.48 29.51 3he7 h GLN 52 CO 0.60 0.03 -0.62 0.15 -2.65 0.00 0.00 178.83 176.34 3he7 s LYS 53 N -5.86 1.83 -0.01 1.69 -0.14 -1.26 -1.88 119.74 114.11 3he7 s LYS 53 Ca -0.14 -2.03 0.06 0.00 -1.36 0.00 0.00 55.97 52.51 3he7 s LYS 53 Cb 0.05 -3.40 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 3he7 s LYS 53 CO 0.66 -1.03 -0.19 0.34 -0.76 0.00 0.00 175.35 174.36 3he7 s ASP 54 N 1.02 3.63 -0.08 2.83 2.15 -0.89 -4.98 116.67 120.35 3he7 s ASP 54 Ca 0.11 -0.36 0.01 0.00 0.43 0.00 0.00 52.55 52.75 3he7 s ASP 54 Cb -0.21 -0.60 0.02 0.00 -0.30 0.00 0.00 42.92 41.82 3he7 s ASP 54 CO -0.05 0.31 -0.09 -0.75 -0.17 0.00 0.00 175.17 174.42 3he7 s LYS 55 N -0.89 1.50 0.30 4.34 2.20 -1.26 -0.94 119.74 124.99 3he7 s LYS 55 Ca 0.12 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.48 3he7 s LYS 55 Cb -0.10 -1.40 -0.06 0.00 -1.51 0.00 0.00 37.83 34.75 3he7 s LYS 55 CO 0.01 -0.11 -0.01 0.95 -0.36 0.00 0.00 175.35 175.83 3he7 s THR 56 N 1.14 1.48 -0.09 3.43 -4.23 -0.46 -5.01 115.64 111.90 3he7 s THR 56 Ca -0.06 -2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 58.30 3he7 s THR 56 Cb -0.14 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.10 3he7 s THR 56 CO -0.02 -0.17 0.24 -0.44 -0.54 0.00 0.00 174.62 173.69 3he7 s SER 57 N -3.48 -0.24 -0.40 3.99 0.01 -1.26 -2.22 113.70 110.10 3he7 s SER 57 Ca 0.32 0.45 0.03 0.00 1.31 0.00 0.00 55.95 58.07 3he7 s SER 57 Cb 0.06 0.47 0.16 0.00 0.21 0.00 0.00 66.02 66.93 3he7 s SER 57 CO 0.14 -0.10 0.35 0.21 0.41 0.00 0.00 173.24 174.25 3he7 s ASN 58 N 0.06 1.45 1.93 2.44 3.84 0.24 -4.98 114.94 119.92 3he7 s ASN 58 Ca -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 52.86 50.46 3he7 s ASN 58 Cb -0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 41.25 40.58 3he7 s ASN 58 CO 0.00 -0.20 0.00 0.61 -2.79 0.00 0.00 177.10 174.73 3he7 n GLY 59 N 3.26 2.90 0.06 1.21 0.00 -1.26 -1.64 105.19 109.72 3he7 n GLY 59 Ca 0.23 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.66 3he7 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3he7 n ARG 60 N 7.32 0.14 -3.65 1.61 1.74 -1.26 -4.75 116.66 117.80 3he7 n ARG 60 Ca 0.00 0.18 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 3he7 n ARG 60 Cb 0.00 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 3he7 n ARG 60 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3he7 s TYR 62 N -3.09 3.60 -0.04 -1.55 1.51 -0.65 -1.82 117.35 115.31 3he7 s TYR 62 Ca 0.10 0.70 -0.10 0.00 -1.01 0.00 0.00 57.07 56.76 3he7 s TYR 62 Cb 0.14 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3he7 s TYR 62 CO 0.51 0.55 0.22 -1.54 -1.11 0.00 0.00 175.55 174.18 3he7 s SER 63 N -0.58 -0.14 0.04 2.29 1.04 -0.55 0.80 113.70 116.61 3he7 s SER 63 Ca 0.18 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3he7 s SER 63 Cb -0.14 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3he7 s SER 63 CO 0.07 -0.28 -0.04 0.00 0.98 0.00 0.00 173.24 173.97 3he7 s ALA 64 N -0.80 0.44 0.21 5.32 0.00 -0.94 0.70 121.76 126.70 3he7 s ALA 64 Ca -0.09 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.01 3he7 s ALA 64 Cb -0.05 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 3he7 s ALA 64 CO 0.02 -0.23 -0.17 0.95 0.00 0.00 0.00 175.76 176.33 3he7 s THR 65 N -2.69 1.95 -0.04 0.00 -4.23 -0.59 -1.36 115.64 108.67 3he7 s THR 65 Ca -0.03 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.27 3he7 s THR 65 Cb -0.01 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.80 3he7 s THR 65 CO -0.05 -0.48 0.08 -0.22 -0.54 0.00 0.00 174.62 173.41 3he7 s LEU 66 N -3.21 0.59 -0.35 4.79 2.96 -0.11 -2.36 118.68 120.98 3he7 s LEU 66 Ca 0.23 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3he7 s LEU 66 Cb -0.03 0.05 0.10 0.00 0.50 0.00 0.00 46.19 46.81 3he7 s LEU 66 CO 0.09 -0.18 0.08 -0.62 -1.32 0.00 0.00 176.35 174.39 3he7 s ASP 67 N 1.56 4.88 0.57 3.68 -1.08 -0.42 -2.09 116.67 123.77 3he7 s ASP 67 Ca -0.04 -2.05 0.36 0.00 -0.52 0.00 0.00 52.55 50.30 3he7 s ASP 67 Cb -0.12 -1.68 1.57 0.00 -1.46 0.00 0.00 42.92 41.23 3he7 s ASP 67 CO -0.04 -0.41 2.05 0.11 0.52 0.00 0.00 175.17 177.41 3he7 h LYS 68 N 7.75 0.00 -0.04 4.34 1.57 -1.66 0.16 116.57 128.69 3he7 h LYS 68 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3he7 h LYS 68 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3he7 h LYS 68 CO 0.56 0.00 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.89 3he7 h ASP 69 N 0.00 0.16 0.64 0.86 3.45 -1.94 -3.09 116.42 116.51 3he7 h ASP 69 Ca 0.00 -0.61 0.00 0.00 0.43 0.00 0.00 57.03 56.85 3he7 h ASP 69 Cb 0.41 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3he7 h ASP 69 CO 0.00 0.74 -0.03 0.00 -1.57 0.00 0.00 179.24 178.38 3he7 n ALA 70 N -2.44 2.52 -3.76 3.45 0.00 -1.09 -4.95 120.51 114.24 3he7 n ALA 70 Ca -0.08 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 3he7 n ALA 70 Cb 0.37 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.39 3he7 n ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3he7 n LYS 71 N -1.30 -1.05 -3.70 0.00 5.02 0.48 -4.87 118.16 112.74 3he7 n LYS 71 Ca 0.12 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.85 3he7 n LYS 71 Cb 0.27 -3.29 -0.11 0.00 -0.02 0.00 0.00 35.03 31.88 3he7 n LYS 71 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3he7 s HIS 72 N -3.29 -0.58 0.11 2.13 2.46 -0.72 -2.52 115.29 112.88 3he7 s HIS 72 Ca 0.29 1.25 0.09 0.00 0.47 0.00 0.00 55.06 57.16 3he7 s HIS 72 Cb -0.13 0.25 -0.04 0.00 -0.13 0.00 0.00 32.58 32.53 3he7 s HIS 72 CO 0.89 -0.33 -0.23 0.45 -2.47 0.00 0.00 174.74 173.05 3he7 s SER 73 N 1.30 2.86 -0.07 9.88 0.15 0.45 -1.30 113.70 126.98 3he7 s SER 73 Ca -0.09 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 55.91 3he7 s SER 73 Cb -0.08 -0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 3he7 s SER 73 CO -0.12 0.12 -0.22 -0.89 1.20 0.00 0.00 173.24 173.33 3he7 s THR 74 N -1.09 1.85 -0.23 6.45 2.01 -1.00 -0.71 115.64 122.93 3he7 s THR 74 Ca 0.10 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 3he7 s THR 74 Cb -0.10 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3he7 s THR 74 CO 0.05 0.52 0.06 -0.22 -0.69 0.00 0.00 174.62 174.33 3he7 s LEU 75 N 0.09 3.49 -0.20 4.42 2.96 0.00 -1.55 118.68 127.89 3he7 s LEU 75 Ca -0.09 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 3he7 s LEU 75 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3he7 s LEU 75 CO 0.05 0.03 0.08 -1.00 -1.32 0.00 0.00 176.35 174.18 3he7 s HIS 76 N 1.24 3.23 -0.26 5.38 3.76 0.22 -1.42 115.29 127.43 3he7 s HIS 76 Ca 0.04 0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.91 3he7 s HIS 76 Cb -0.14 -2.13 0.01 0.00 1.11 0.00 0.00 32.58 31.42 3he7 s HIS 76 CO 0.03 0.05 0.02 0.42 -0.85 0.00 0.00 174.74 174.41 3he7 s ILE 77 N 0.69 3.57 -0.06 0.60 1.01 -0.77 -1.49 121.20 124.75 3he7 s ILE 77 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 3he7 s ILE 77 Cb -0.13 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 3he7 s ILE 77 CO 0.02 0.20 0.43 -0.89 0.00 0.00 0.00 174.94 174.70 3he7 s THR 78 N 1.46 5.11 -0.73 2.92 2.01 -0.76 -1.93 115.64 123.73 3he7 s THR 78 Ca 0.03 0.87 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 3he7 s THR 78 Cb -0.16 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3he7 s THR 78 CO -0.01 0.45 0.64 0.00 -0.69 0.00 0.00 174.62 175.01 3he7 n ALA 79 N 2.80 -2.67 -1.98 7.40 0.00 -1.20 -4.82 120.51 120.03 3he7 n ALA 79 Ca -0.11 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 3he7 n ALA 79 Cb 0.52 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3he7 n ALA 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3he7 s THR 80 N -2.78 2.90 0.89 0.00 -4.23 0.89 -4.67 115.64 108.64 3he7 s THR 80 Ca 0.07 0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 3he7 s THR 80 Cb -0.01 -3.35 0.17 0.00 1.34 0.00 0.00 72.50 70.65 3he7 s THR 80 CO 0.84 0.03 1.23 -0.76 -0.54 0.00 0.00 174.62 175.41 3he7 s LEU 81 N 1.72 2.77 0.21 4.79 1.43 -1.26 0.04 118.68 128.37 3he7 s LEU 81 Ca 0.70 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.01 3he7 s LEU 81 Cb -0.41 -2.31 0.15 0.00 0.03 0.00 0.00 46.19 43.66 3he7 s LEU 81 CO 0.31 -2.45 1.49 -0.07 0.23 0.00 0.00 176.35 175.86 3he7 h LEU 82 N -1.31 0.17 0.00 1.79 3.38 -1.95 -3.11 115.31 114.27 3he7 h LEU 82 Ca -0.43 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3he7 h LEU 82 Cb 1.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3he7 h LEU 82 CO 0.41 0.84 0.00 0.47 0.09 0.00 0.00 178.44 180.25 3he7 n ASP 83 N -3.74 0.00 -0.12 -0.43 9.92 -1.26 -2.44 116.55 118.48 3he7 n ASP 83 Ca -0.02 -0.46 0.15 0.00 -0.53 0.00 0.00 54.79 53.93 3he7 n ASP 83 Cb 0.71 -0.05 0.79 0.00 -0.64 0.00 0.00 41.12 41.93 3he7 n ASP 83 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3he7 n ASP 84 N -1.05 0.38 -4.57 -2.24 8.00 -1.17 -4.77 116.55 111.13 3he7 n ASP 84 Ca 0.12 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 3he7 n ASP 84 Cb 0.07 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3he7 n ASP 84 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3he7 s THR 85 N -1.99 3.56 0.30 -3.53 2.01 -1.02 -4.82 115.64 110.14 3he7 s THR 85 Ca 0.43 0.46 -0.19 0.00 0.31 0.00 0.00 61.69 62.70 3he7 s THR 85 Cb 0.20 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.70 3he7 s THR 85 CO 0.34 -0.90 0.88 0.00 -0.69 0.00 0.00 174.62 174.25 3he7 s ALA 86 N 7.34 -1.12 -0.12 7.40 0.00 -1.01 -4.73 121.76 129.52 3he7 s ALA 86 Ca 0.64 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 3he7 s ALA 86 Cb -0.14 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3he7 s ALA 86 CO 0.25 -1.02 0.23 0.99 0.00 0.00 0.00 175.76 176.21 3he7 s THR 87 N -2.43 5.35 -0.23 0.00 2.01 -0.03 -0.79 115.64 119.53 3he7 s THR 87 Ca 0.17 0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 3he7 s THR 87 Cb -0.04 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.94 3he7 s THR 87 CO 0.08 0.52 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.17 3he7 s TYR 88 N -0.39 2.98 -0.18 4.92 1.51 0.14 -0.35 117.35 125.99 3he7 s TYR 88 Ca 0.16 -1.12 -0.03 0.00 -1.01 0.00 0.00 57.07 55.07 3he7 s TYR 88 Cb -0.13 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3he7 s TYR 88 CO 0.05 -0.61 -0.05 0.42 -1.11 0.00 0.00 175.55 174.25 3he7 s ILE 89 N 1.44 3.57 -0.21 2.71 1.01 0.28 -1.16 121.20 128.83 3he7 s ILE 89 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3he7 s ILE 89 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3he7 s ILE 89 CO -0.04 0.47 0.13 0.00 0.00 0.00 0.00 174.94 175.51 3he7 s VAL 91 N 0.64 1.01 -0.15 0.00 1.01 -0.21 -1.11 120.40 121.58 3he7 s VAL 91 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3he7 s VAL 91 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3he7 s VAL 91 CO 0.01 0.35 -0.04 -0.69 0.00 0.00 0.00 175.10 174.73 3he7 s VAL 92 N 1.35 3.92 -0.11 2.92 1.01 -0.78 -0.41 120.40 128.29 3he7 s VAL 92 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3he7 s VAL 92 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3he7 s VAL 92 CO -0.04 0.50 0.02 -0.83 0.00 0.00 0.00 175.10 174.75 3he7 s GLY 93 N 0.28 1.87 -0.09 4.51 0.00 -0.70 -0.84 107.32 112.36 3he7 s GLY 93 Ca -0.03 -0.78 0.13 0.00 0.00 0.00 0.00 44.72 44.04 3he7 s GLY 93 CO 0.03 -0.38 1.41 2.09 0.00 0.00 0.00 173.10 176.26 3he7 n ASP 94 N 2.55 3.76 -3.79 1.64 3.85 -0.97 -0.79 116.55 122.81 3he7 n ASP 94 Ca -0.18 -2.36 -0.13 0.00 -0.71 0.00 0.00 54.79 51.41 3he7 n ASP 94 Cb 0.53 -0.51 -0.09 0.00 -1.35 0.00 0.00 41.12 39.70 3he7 n ASP 94 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3he7 s ARG 95 N -1.81 0.61 -0.09 0.11 6.06 -1.26 -4.57 118.95 118.00 3he7 s ARG 95 Ca 0.39 -0.21 0.04 0.00 -2.50 0.00 0.00 55.73 53.45 3he7 s ARG 95 Cb 0.25 0.27 0.28 0.00 0.06 0.00 0.00 34.95 35.81 3he7 s ARG 95 CO 0.18 -0.16 0.99 0.41 -2.50 0.00 0.00 175.30 174.22 3he7 n GLY 96 N 1.40 2.13 3.67 8.12 0.00 -1.26 -4.74 105.19 114.52 3he7 n GLY 96 Ca -0.21 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 3he7 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3he7 s SER 97 N -0.20 0.43 0.58 1.61 1.04 -1.26 -5.04 113.70 110.86 3he7 s SER 97 Ca 0.19 -1.31 0.28 0.00 0.48 0.00 0.00 55.95 55.58 3he7 s SER 97 Cb 0.15 0.78 1.55 0.00 0.10 0.00 0.00 66.02 68.59 3he7 s SER 97 CO 0.05 -1.54 2.03 0.00 0.98 0.00 0.00 173.24 174.76 3he7 h ALA 98 N 2.04 2.04 0.00 5.32 0.00 -2.05 -1.66 119.26 124.95 3he7 h ALA 98 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3he7 h ALA 98 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3he7 h ALA 98 CO 0.40 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3he7 n LEU 99 N -3.91 0.00 -4.80 0.00 4.77 -1.26 -4.81 117.00 106.99 3he7 n LEU 99 Ca 0.05 0.49 -0.35 0.00 -0.03 0.00 0.00 56.01 56.16 3he7 n LEU 99 Cb 0.46 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3he7 n LEU 99 CO 0.29 -0.47 0.65 -0.83 -1.33 0.00 0.00 177.39 175.71 3he7 s GLY 100 N -2.98 2.63 -0.08 -0.72 0.00 -0.63 -4.96 107.32 100.59 3he7 s GLY 100 Ca 0.01 0.48 -0.24 0.00 0.00 0.00 0.00 44.72 44.97 3he7 s GLY 100 CO 0.02 0.85 0.72 -1.60 0.00 0.00 0.00 173.10 173.09 3he7 s ARG 103 N -2.53 4.41 -0.26 2.90 3.52 -1.26 -4.91 118.95 120.82 3he7 s ARG 103 Ca 0.55 0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 56.97 3he7 s ARG 103 Cb -0.15 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3he7 s ARG 103 CO 0.19 -0.00 0.10 -0.51 -0.81 0.00 0.00 175.30 174.28 3he7 s LEU 104 N 1.02 3.61 -0.31 -0.88 1.43 -1.26 -2.29 118.68 120.00 3he7 s LEU 104 Ca 0.38 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 3he7 s LEU 104 Cb -0.18 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3he7 s LEU 104 CO 0.17 -0.04 0.30 -1.00 0.23 0.00 0.00 176.35 176.01 3he7 s HIS 105 N 1.66 3.22 -0.22 0.29 3.76 -0.02 -4.96 115.29 119.02 3he7 s HIS 105 Ca 0.07 0.06 -0.13 0.00 -0.15 0.00 0.00 55.06 54.90 3he7 s HIS 105 Cb -0.15 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.95 3he7 s HIS 105 CO 0.06 -0.31 0.29 -0.06 -0.85 0.00 0.00 174.74 173.87 3he7 s PHE 106 N 1.90 3.34 0.89 1.40 0.40 -1.26 -1.87 117.98 122.78 3he7 s PHE 106 Ca 0.10 0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 56.74 3he7 s PHE 106 Cb -0.16 -2.42 0.12 0.00 0.51 0.00 0.00 43.02 41.07 3he7 s PHE 106 CO 0.11 0.00 1.09 0.20 0.70 0.00 0.00 175.22 177.32 3he7 s GLY 107 N 1.11 1.62 0.29 4.36 0.00 -0.27 -4.86 107.32 109.57 3he7 s GLY 107 Ca 0.14 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.86 3he7 s GLY 107 CO 0.07 0.45 1.74 0.00 0.00 0.00 0.00 173.10 175.35 3he7 h ALA 108 N -1.52 1.14 0.00 3.20 0.00 -1.89 -3.44 119.26 116.74 3he7 h ALA 108 Ca -0.49 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3he7 h ALA 108 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3he7 h ALA 108 CO 0.54 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3he7 n GLY 109 N -0.41 2.38 3.68 0.00 0.00 -1.26 -5.00 105.19 104.58 3he7 n GLY 109 Ca -0.00 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 3he7 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3he7 s THR 110 N -2.03 5.20 -0.28 2.61 2.01 -0.31 -4.81 115.64 118.03 3he7 s THR 110 Ca 0.00 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 3he7 s THR 110 Cb 0.00 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 3he7 s THR 110 CO 0.00 0.43 0.72 -1.58 -0.69 0.00 0.00 174.62 173.50 3he7 s GLN 111 N 0.51 4.04 -0.33 4.92 0.74 0.14 0.27 119.66 129.95 3he7 s GLN 111 Ca 0.06 0.60 -0.10 0.00 0.05 0.00 0.00 55.36 55.97 3he7 s GLN 111 Cb -0.12 -3.69 0.00 0.00 1.10 0.00 0.00 33.01 30.30 3he7 s GLN 111 CO -0.00 -0.55 0.18 -1.17 -0.55 0.00 0.00 175.29 173.20 3he7 s LEU 112 N 2.73 4.32 -0.33 3.68 2.96 0.03 0.48 118.68 132.55 3he7 s LEU 112 Ca 0.30 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3he7 s LEU 112 Cb -0.15 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.53 3he7 s LEU 112 CO 0.10 -0.25 0.16 -0.63 -1.32 0.00 0.00 176.35 174.41 3he7 s ILE 113 N 1.61 4.48 -0.23 6.68 1.01 0.13 -2.39 121.20 132.48 3he7 s ILE 113 Ca 0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 3he7 s ILE 113 Cb -0.18 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3he7 s ILE 113 CO 0.07 -0.06 0.32 -0.69 0.00 0.00 0.00 174.94 174.58 3he7 s VAL 114 N 1.57 5.24 -0.12 2.92 1.01 -1.26 -2.06 120.40 127.69 3he7 s VAL 114 Ca 0.03 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 3he7 s VAL 114 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3he7 s VAL 114 CO 0.06 0.26 0.03 0.27 0.00 0.00 0.00 175.10 175.71 3he7 s ILE 115 N 1.42 4.51 0.29 2.22 -4.36 -0.56 -4.91 121.20 119.81 3he7 s ILE 115 Ca 0.14 -0.16 -0.28 0.00 -0.26 0.00 0.00 60.65 60.10 3he7 s ILE 115 Cb -0.15 -2.95 -0.09 0.00 1.25 0.00 0.00 42.46 40.52 3he7 s ILE 115 CO 0.07 0.55 0.97 -2.16 0.24 0.00 0.00 174.94 174.62 3he7 s PRO 116 N -0.40 4.66 -0.28 0.37 0.04 -1.26 -1.24 135.00 136.88 3he7 s PRO 116 Ca 0.08 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 3he7 s PRO 116 Cb -0.12 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3he7 s PRO 116 CO 0.02 0.32 1.27 0.34 0.04 0.00 0.00 177.00 178.99 3he7 s ASP 117 N -1.36 6.74 -0.30 6.66 2.15 -1.26 -4.57 116.67 124.73 3he7 s ASP 117 Ca 0.47 1.25 -0.11 0.00 0.43 0.00 0.00 52.55 54.59 3he7 s ASP 117 Cb -0.23 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 3he7 s ASP 117 CO 0.29 -1.01 0.18 0.27 -0.17 0.00 0.00 175.17 174.73 3he7 s ILE 118 N 4.17 4.97 0.14 4.11 -4.36 -1.26 -4.99 121.20 123.98 3he7 s ILE 118 Ca 0.55 -0.15 -0.12 0.00 -0.26 0.00 0.00 60.65 60.67 3he7 s ILE 118 Cb -0.17 -3.46 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 3he7 s ILE 118 CO 0.21 0.14 1.53 1.56 0.24 0.00 0.00 174.94 178.62 3he7 h GLN 119 N 8.38 0.86 -3.36 0.37 1.08 -1.94 -3.38 115.11 117.11 3he7 h GLN 119 Ca -0.34 -0.36 -0.63 0.00 -1.45 0.00 0.00 58.65 55.88 3he7 h GLN 119 Cb 1.17 -0.03 -0.40 0.00 -0.05 0.00 0.00 27.48 28.16 3he7 h GLN 119 CO 0.59 1.00 -0.69 -0.80 -0.95 0.00 0.00 178.83 177.98 3he7 s ASN 120 N -6.54 4.08 0.28 1.46 0.01 -1.26 -5.10 114.94 107.86 3he7 s ASN 120 Ca -0.12 -2.70 -0.30 0.00 -0.71 0.00 0.00 52.86 49.03 3he7 s ASN 120 Cb 0.11 -1.35 -0.12 0.00 0.41 0.00 0.00 41.25 40.30 3he7 s ASN 120 CO 0.84 -0.27 1.54 -2.65 -1.51 0.00 0.00 177.10 175.05 3he7 n PRO 121 N 3.49 2.51 -3.13 -0.60 -0.02 -1.26 -4.94 135.00 131.05 3he7 n PRO 121 Ca 0.06 0.89 -0.17 0.00 -2.02 0.00 0.00 63.50 62.26 3he7 n PRO 121 Cb 0.34 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.16 3he7 n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3he7 n ASP 122 N 2.19 0.99 -4.72 2.55 2.03 0.22 -5.03 116.55 114.77 3he7 n ASP 122 Ca 0.10 -3.00 -0.42 0.00 0.52 0.00 0.00 54.79 51.98 3he7 n ASP 122 Cb 0.35 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 3he7 n ASP 122 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3he7 s PRO 123 N -2.52 4.13 0.01 -0.67 0.04 -1.21 -4.59 135.00 130.19 3he7 s PRO 123 Ca 0.39 2.58 -0.20 0.00 0.04 0.00 0.00 61.00 63.81 3he7 s PRO 123 Cb 0.36 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.86 3he7 s PRO 123 CO -0.07 -0.73 0.44 0.00 0.04 0.00 0.00 177.00 176.68 3he7 s ALA 124 N 1.06 -1.11 -0.25 8.56 0.00 -0.80 -0.36 121.76 128.86 3he7 s ALA 124 Ca 0.73 0.51 0.02 0.00 0.00 0.00 0.00 51.96 53.21 3he7 s ALA 124 Cb -0.49 0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3he7 s ALA 124 CO 0.33 -0.40 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 3he7 s VAL 125 N -1.97 2.33 0.06 0.00 1.01 -0.56 -1.08 120.40 120.19 3he7 s VAL 125 Ca -0.08 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.49 3he7 s VAL 125 Cb -0.02 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3he7 s VAL 125 CO 0.01 0.08 0.10 -0.31 0.00 0.00 0.00 175.10 174.98 3he7 s TYR 126 N 1.17 3.26 -0.18 5.22 2.02 0.09 -4.32 117.35 124.61 3he7 s TYR 126 Ca -0.05 0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.70 3he7 s TYR 126 Cb -0.18 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3he7 s TYR 126 CO -0.06 0.54 0.06 -1.14 -1.57 0.00 0.00 175.55 173.38 3he7 s GLN 127 N -2.26 3.92 0.10 -0.62 0.74 -1.26 -0.01 119.66 120.26 3he7 s GLN 127 Ca 0.29 -0.34 0.08 0.00 0.05 0.00 0.00 55.36 55.44 3he7 s GLN 127 Cb -0.12 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 3he7 s GLN 127 CO 0.21 0.31 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.55 3he7 s LEU 128 N 0.26 2.30 0.39 3.68 1.02 -0.45 -4.97 118.68 120.91 3he7 s LEU 128 Ca 0.04 -0.68 0.04 0.00 0.02 0.00 0.00 54.13 53.54 3he7 s LEU 128 Cb -0.12 -0.83 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 3he7 s LEU 128 CO 0.00 0.04 0.07 -0.13 0.02 0.00 0.00 176.35 176.34 3he7 s ARG 129 N -1.91 1.87 0.00 1.70 0.52 -1.26 -1.62 118.95 118.25 3he7 s ARG 129 Ca 0.05 -2.10 0.00 0.00 -0.52 0.00 0.00 55.73 53.16 3he7 s ARG 129 Cb -0.10 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.39 3he7 s ARG 129 CO 0.04 -0.30 0.42 -0.25 0.02 0.00 0.00 175.30 175.24 3he7 n ASP 135 N -1.02 0.00 -4.71 0.23 10.43 -1.26 -4.81 116.55 115.41 3he7 n ASP 135 Ca -0.07 0.07 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 3he7 n ASP 135 Cb 0.66 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.52 3he7 n ASP 135 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3he7 s LYS 136 N -1.85 4.38 0.35 -1.24 1.02 -1.26 -5.03 119.74 116.11 3he7 s LYS 136 Ca 0.00 1.91 0.03 0.00 0.02 0.00 0.00 55.97 57.93 3he7 s LYS 136 Cb 0.00 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 3he7 s LYS 136 CO 0.00 -0.33 0.10 -1.54 -0.92 0.00 0.00 175.35 172.65 3he7 s SER 137 N 1.07 2.33 -0.12 2.83 1.04 -1.26 -5.03 113.70 114.56 3he7 s SER 137 Ca 0.61 -1.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 3he7 s SER 137 Cb -0.33 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.05 3he7 s SER 137 CO 0.30 -0.78 0.32 -0.69 0.98 0.00 0.00 173.24 173.37 3he7 s VAL 138 N -3.34 -0.00 -0.08 5.02 1.01 -0.64 -4.78 120.40 117.59 3he7 s VAL 138 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 3he7 s VAL 138 Cb 0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 3he7 s VAL 138 CO 0.15 0.00 0.24 0.00 0.00 0.00 0.00 175.10 175.49 3he7 s LEU 140 N -0.95 2.80 -0.33 0.00 2.96 0.98 -1.02 118.68 123.13 3he7 s LEU 140 Ca 0.18 -1.49 -0.24 0.00 -0.22 0.00 0.00 54.13 52.37 3he7 s LEU 140 Cb -0.14 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.43 3he7 s LEU 140 CO 0.07 -0.32 0.81 0.12 -1.32 0.00 0.00 176.35 175.71 3he7 s PHE 141 N 1.40 3.16 0.11 5.38 5.36 -0.11 -0.73 117.98 132.55 3he7 s PHE 141 Ca 0.03 0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 56.73 3he7 s PHE 141 Cb -0.18 -3.33 -0.04 0.00 -0.34 0.00 0.00 43.02 39.13 3he7 s PHE 141 CO -0.12 -0.65 0.05 -0.08 -1.46 0.00 0.00 175.22 172.96 3he7 s THR 142 N 3.08 0.13 -1.27 0.12 -1.32 -0.24 -0.60 115.64 115.54 3he7 s THR 142 Ca 0.33 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 3he7 s THR 142 Cb -0.14 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 3he7 s THR 142 CO 0.14 -0.61 0.00 0.47 -2.21 0.00 0.00 174.62 172.41 3he7 n ASP 143 N -0.04 -5.12 -4.87 8.08 10.43 -0.64 -1.90 116.55 122.48 3he7 n ASP 143 Ca -0.08 0.30 -0.31 0.00 2.57 0.00 0.00 54.79 57.27 3he7 n ASP 143 Cb 0.63 -3.67 0.03 0.00 1.84 0.00 0.00 41.12 39.95 3he7 n ASP 143 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3he7 s PHE 144 N -2.22 3.49 0.61 1.24 -0.12 -1.26 -0.61 117.98 119.11 3he7 s PHE 144 Ca 0.00 1.21 -0.13 0.00 -0.05 0.00 0.00 56.93 57.96 3he7 s PHE 144 Cb 0.00 -2.85 -0.04 0.00 -0.63 0.00 0.00 43.02 39.50 3he7 s PHE 144 CO 0.00 -0.90 1.03 0.16 -0.05 0.00 0.00 175.22 175.46 3he7 s ASP 145 N -4.22 6.12 0.41 1.98 -4.77 -1.26 -4.35 116.67 110.58 3he7 s ASP 145 Ca 0.56 1.54 0.29 0.00 -3.30 0.00 0.00 52.55 51.64 3he7 s ASP 145 Cb -0.11 -2.49 1.36 0.00 -1.09 0.00 0.00 42.92 40.59 3he7 s ASP 145 CO 0.53 -0.94 1.88 0.28 0.70 0.00 0.00 175.17 177.62 3he7 h SER 146 N -0.00 0.00 1.01 2.11 0.02 -1.92 -2.28 113.55 112.49 3he7 h SER 146 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3he7 h SER 146 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3he7 h SER 146 CO 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 3he7 n GLN 147 N -2.59 0.17 -2.87 3.45 1.13 -1.26 -4.78 117.38 110.64 3he7 n GLN 147 Ca 0.00 0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 54.92 3he7 n GLN 147 Cb 0.18 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 28.73 3he7 n GLN 147 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3he7 s THR 148 N -3.16 4.91 -0.16 5.09 2.01 -0.86 -5.06 115.64 118.42 3he7 s THR 148 Ca 0.08 1.73 -0.13 0.00 0.31 0.00 0.00 61.69 63.68 3he7 s THR 148 Cb 0.12 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3he7 s THR 148 CO 0.47 0.12 0.25 0.20 -0.69 0.00 0.00 174.62 174.97 3he7 s ASN 149 N 1.01 6.39 -0.45 3.53 0.01 -1.26 -5.00 114.94 119.18 3he7 s ASN 149 Ca 0.42 0.46 -0.23 0.00 -0.71 0.00 0.00 52.86 52.80 3he7 s ASN 149 Cb -0.18 -2.16 0.02 0.00 0.41 0.00 0.00 41.25 39.35 3he7 s ASN 149 CO 0.18 0.14 0.77 -0.69 -1.51 0.00 0.00 177.10 175.99 3he7 s VAL 150 N 0.33 4.67 0.58 1.60 1.01 -1.26 -4.39 120.40 122.93 3he7 s VAL 150 Ca 0.15 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 3he7 s VAL 150 Cb -0.13 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3he7 s VAL 150 CO 0.03 -0.70 1.09 -0.44 0.00 0.00 0.00 175.10 175.08 3he7 s SER 151 N 2.11 5.70 0.76 3.32 0.01 -1.26 -4.80 113.70 119.55 3he7 s SER 151 Ca 0.29 1.98 -0.11 0.00 1.31 0.00 0.00 55.95 59.42 3he7 s SER 151 Cb -0.12 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.60 3he7 s SER 151 CO 0.22 -1.23 1.08 -1.10 0.41 0.00 0.00 173.24 172.63 3he7 s GLN 152 N -3.71 2.36 0.27 12.44 -1.52 -1.26 -4.83 119.66 123.40 3he7 s GLN 152 Ca 0.68 0.82 -0.29 0.00 -1.95 0.00 0.00 55.36 54.61 3he7 s GLN 152 Cb -0.19 -1.93 -0.09 0.00 -0.22 0.00 0.00 33.01 30.57 3he7 s GLN 152 CO 0.32 -1.48 1.20 0.45 -0.25 0.00 0.00 175.29 175.53 3he7 s SER 153 N -3.78 7.06 0.00 5.90 0.15 -1.26 -4.93 113.70 116.84 3he7 s SER 153 Ca 0.60 2.39 0.25 0.00 0.70 0.00 0.00 55.95 59.89 3he7 s SER 153 Cb -0.15 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 61.98 3he7 s SER 153 CO 0.55 -0.33 1.40 0.29 1.20 0.00 0.00 173.24 176.35 3he7 n LYS 154 N 1.48 2.14 -4.56 5.44 5.02 -1.26 -4.94 118.16 121.48 3he7 n LYS 154 Ca 0.01 -1.66 -0.34 0.00 -2.02 0.00 0.00 58.31 54.30 3he7 n LYS 154 Cb 0.44 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 3he7 n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3he7 s ASP 155 N -1.98 4.59 0.37 4.39 3.68 -1.26 -5.02 116.67 121.44 3he7 s ASP 155 Ca 0.31 -0.12 0.08 0.00 2.13 0.00 0.00 52.55 54.94 3he7 s ASP 155 Cb 0.20 -1.51 0.80 0.00 -1.45 0.00 0.00 42.92 40.96 3he7 s ASP 155 CO 0.31 0.24 1.94 0.28 0.13 0.00 0.00 175.17 178.08 3he7 h SER 156 N 6.13 0.62 -0.01 -0.34 0.02 -2.04 -2.93 113.55 114.99 3he7 h SER 156 Ca -0.37 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3he7 h SER 156 Cb 1.19 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3he7 h SER 156 CO 0.57 0.38 -0.50 0.47 -1.14 0.00 0.00 176.83 176.62 3he7 n ASP 157 N -4.49 1.91 -4.79 3.07 8.00 -1.26 -4.88 116.55 114.10 3he7 n ASP 157 Ca 0.12 -1.45 -0.36 0.00 0.71 0.00 0.00 54.79 53.81 3he7 n ASP 157 Cb 0.30 0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.84 3he7 n ASP 157 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3he7 s VAL 158 N -2.43 5.43 -0.10 2.53 1.01 -1.11 -3.63 120.40 122.10 3he7 s VAL 158 Ca 0.17 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3he7 s VAL 158 Cb 0.17 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 3he7 s VAL 158 CO 0.57 0.51 -0.22 -0.31 0.00 0.00 0.00 175.10 175.65 3he7 s TYR 159 N -0.21 2.59 -0.08 5.22 2.02 -0.00 -4.73 117.35 122.16 3he7 s TYR 159 Ca 0.12 -0.94 -0.01 0.00 -0.37 0.00 0.00 57.07 55.87 3he7 s TYR 159 Cb -0.12 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 3he7 s TYR 159 CO 0.01 -0.36 -0.03 0.42 -1.57 0.00 0.00 175.55 174.02 3he7 s ILE 160 N 0.28 0.57 0.72 2.71 1.01 -1.26 -1.55 121.20 123.68 3he7 s ILE 160 Ca -0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 3he7 s ILE 160 Cb -0.17 -0.67 0.05 0.00 0.01 0.00 0.00 42.46 41.68 3he7 s ILE 160 CO 0.08 0.28 1.06 0.42 0.00 0.00 0.00 174.94 176.78 3he7 s THR 161 N 1.69 2.70 0.86 2.92 -4.23 -0.79 -4.73 115.64 114.07 3he7 s THR 161 Ca 0.02 0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 3he7 s THR 161 Cb -0.13 -3.18 0.11 0.00 1.34 0.00 0.00 72.50 70.64 3he7 s THR 161 CO -0.05 -0.22 1.19 -0.62 -0.54 0.00 0.00 174.62 174.39 3he7 s ASP 162 N -4.46 4.03 0.87 3.99 2.15 -1.26 -4.49 116.67 117.50 3he7 s ASP 162 Ca 0.59 0.73 -0.10 0.00 0.43 0.00 0.00 52.55 54.20 3he7 s ASP 162 Cb -0.11 -1.16 0.12 0.00 -0.30 0.00 0.00 42.92 41.47 3he7 s ASP 162 CO 0.48 -2.20 1.12 -1.59 -0.17 0.00 0.00 175.17 172.81 3he7 s LYS 163 N -5.57 1.40 -0.29 4.34 -2.85 -1.26 -4.49 119.74 111.01 3he7 s LYS 163 Ca 0.64 1.37 -0.14 0.00 -1.00 0.00 0.00 55.97 56.84 3he7 s LYS 163 Cb -0.11 -1.78 0.10 0.00 -2.06 0.00 0.00 37.83 33.98 3he7 s LYS 163 CO 0.51 -2.31 0.71 0.00 0.10 0.00 0.00 175.35 174.35 3he7 s VAL 165 N 2.08 5.12 0.10 0.00 1.01 -1.26 -1.81 120.40 125.63 3he7 s VAL 165 Ca -0.08 1.00 0.10 0.00 0.00 0.00 0.00 61.98 62.99 3he7 s VAL 165 Cb -0.07 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3he7 s VAL 165 CO -0.19 0.22 -0.24 -1.48 0.00 0.00 0.00 175.10 173.41 3he7 s LEU 166 N 1.34 2.41 -0.26 3.92 0.05 -0.41 -4.95 118.68 120.78 3he7 s LEU 166 Ca 0.26 -0.64 -0.00 0.00 0.05 0.00 0.00 54.13 53.80 3he7 s LEU 166 Cb -0.15 -1.34 0.04 0.00 -2.05 0.00 0.00 46.19 42.68 3he7 s LEU 166 CO 0.10 0.21 -0.07 -0.62 -0.55 0.00 0.00 176.35 175.42 3he7 s ASP 167 N -1.83 4.38 -1.09 1.48 -1.08 -1.26 -1.51 116.67 115.76 3he7 s ASP 167 Ca 0.14 -1.07 -0.18 0.00 -0.52 0.00 0.00 52.55 50.92 3he7 s ASP 167 Cb -0.10 -1.63 0.12 0.00 -1.46 0.00 0.00 42.92 39.84 3he7 s ASP 167 CO 0.06 -0.16 1.38 -0.04 0.52 0.00 0.00 175.17 176.92 3he7 s MET 168 N 1.25 3.80 0.24 4.34 -1.94 0.63 -4.90 119.30 122.72 3he7 s MET 168 Ca -0.03 -1.91 -0.06 0.00 -1.71 0.00 0.00 55.69 51.98 3he7 s MET 168 Cb -0.18 -5.14 0.42 0.00 2.01 0.00 0.00 34.83 31.94 3he7 s MET 168 CO -0.05 -1.93 1.71 0.00 -0.01 0.00 0.00 175.02 174.74 3he7 h ARG 169 N 8.34 0.34 0.00 2.03 3.08 -1.96 0.10 114.38 126.30 3he7 h ARG 169 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3he7 h ARG 169 Cb 0.95 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3he7 h ARG 169 CO 1.27 0.22 0.00 -1.13 -1.07 0.00 0.00 179.97 179.26 3he7 n SER 170 N -5.08 0.00 -0.00 7.04 3.41 -1.26 -2.76 113.62 114.97 3he7 n SER 170 Ca 0.13 0.50 0.05 0.00 -0.26 0.00 0.00 58.87 59.29 3he7 n SER 170 Cb 0.41 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 3he7 n SER 170 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3he7 n MET 171 N -1.50 2.98 -3.85 4.33 2.81 0.32 -4.99 117.12 117.23 3he7 n MET 171 Ca 0.03 -0.02 -0.25 0.00 -1.81 0.00 0.00 57.70 55.66 3he7 n MET 171 Cb 0.15 -1.04 0.01 0.00 -0.71 0.00 0.00 33.22 31.63 3he7 n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3he7 n ASP 172 N -1.36 -1.46 -3.99 7.83 2.03 -0.98 -4.99 116.55 113.62 3he7 n ASP 172 Ca 0.01 -0.89 -0.27 0.00 0.52 0.00 0.00 54.79 54.16 3he7 n ASP 172 Cb 0.18 -3.61 -0.17 0.00 -0.72 0.00 0.00 41.12 36.80 3he7 n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3he7 s PHE 173 N -3.70 1.66 0.05 -0.67 5.36 -1.20 -5.03 117.98 114.45 3he7 s PHE 173 Ca 0.13 -0.76 0.07 0.00 -0.96 0.00 0.00 56.93 55.41 3he7 s PHE 173 Cb -0.07 -1.26 -0.03 0.00 -0.34 0.00 0.00 43.02 41.32 3he7 s PHE 173 CO 0.85 -0.44 -0.17 0.15 -1.46 0.00 0.00 175.22 174.15 3he7 s LYS 174 N 1.17 2.07 -0.07 10.12 1.02 -1.26 -0.27 119.74 132.53 3he7 s LYS 174 Ca -0.04 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 54.85 3he7 s LYS 174 Cb -0.14 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 3he7 s LYS 174 CO -0.03 0.54 0.28 -1.54 -0.92 0.00 0.00 175.35 173.68 3he7 s SER 175 N -1.55 -0.23 0.23 2.83 1.04 -0.57 -4.93 113.70 110.52 3he7 s SER 175 Ca 0.15 0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.77 3he7 s SER 175 Cb -0.11 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.40 3he7 s SER 175 CO 0.06 -0.25 0.65 0.20 0.98 0.00 0.00 173.24 174.89 3he7 s ASN 176 N -0.50 6.84 -0.17 7.02 0.01 -1.26 -1.29 114.94 125.59 3he7 s ASN 176 Ca -0.06 1.20 -0.24 0.00 -0.71 0.00 0.00 52.86 53.05 3he7 s ASN 176 Cb -0.04 -2.34 0.06 0.00 0.41 0.00 0.00 41.25 39.35 3he7 s ASN 176 CO 0.02 -0.03 0.62 -0.94 -1.51 0.00 0.00 177.10 175.26 3he7 s SER 177 N -1.96 -0.63 0.13 -1.22 1.04 -0.75 -1.62 113.70 108.69 3he7 s SER 177 Ca 0.45 1.04 0.06 0.00 0.48 0.00 0.00 55.95 57.99 3he7 s SER 177 Cb -0.14 1.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 3he7 s SER 177 CO 0.20 -0.34 -0.14 0.00 0.98 0.00 0.00 173.24 173.94 3he7 s ALA 178 N -0.18 1.53 0.03 5.32 0.00 0.23 -2.01 121.76 126.68 3he7 s ALA 178 Ca -0.04 -1.34 0.09 0.00 0.00 0.00 0.00 51.96 50.67 3he7 s ALA 178 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3he7 s ALA 178 CO 0.03 0.09 -0.26 0.08 0.00 0.00 0.00 175.76 175.70 3he7 s VAL 179 N -2.28 2.07 0.03 0.00 1.01 -1.26 -0.94 120.40 119.03 3he7 s VAL 179 Ca 0.10 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.81 3he7 s VAL 179 Cb -0.04 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3he7 s VAL 179 CO 0.03 0.40 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 3he7 s ALA 180 N -0.75 0.66 0.20 5.51 0.00 -0.18 -1.88 121.76 125.31 3he7 s ALA 180 Ca 0.11 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 3he7 s ALA 180 Cb -0.10 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3he7 s ALA 180 CO 0.01 0.05 0.49 1.67 0.00 0.00 0.00 175.76 177.99 3he7 s TRP 181 N -1.00 -0.00 0.10 0.00 -2.14 -0.59 -0.30 118.94 115.01 3he7 s TRP 181 Ca -0.05 -0.35 -0.02 0.00 2.66 0.00 0.00 56.10 58.34 3he7 s TRP 181 Cb -0.08 0.32 0.01 0.00 -3.10 0.00 0.00 33.47 30.62 3he7 s TRP 181 CO 0.00 -0.90 0.17 0.45 -2.66 0.00 0.00 176.95 174.01 3he7 n SER 182 N -0.33 -0.48 0.00 -2.66 2.88 -1.26 -0.82 113.62 110.95 3he7 n SER 182 Ca -0.09 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 3he7 n SER 182 Cb 0.62 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.92 3he7 n SER 182 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3he7 n ASN 183 N -1.68 0.91 -4.77 -3.46 3.02 -1.24 -5.02 115.26 103.02 3he7 n ASN 183 Ca -0.01 -1.38 -0.33 0.00 -0.03 0.00 0.00 54.58 52.83 3he7 n ASN 183 Cb 0.16 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 3he7 n ASN 183 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3he7 s LYS 184 N -0.38 2.87 0.00 3.52 1.02 -1.26 -5.17 119.74 120.34 3he7 s LYS 184 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.39 3he7 s LYS 184 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 3he7 s LYS 184 CO 0.00 -1.19 0.65 0.43 -0.92 0.00 0.00 175.35 174.32 3he7 n SER 185 N -2.30 1.75 0.00 2.83 7.64 -1.26 -5.20 113.62 117.08 3he7 n SER 185 Ca 0.10 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.54 3he7 n SER 185 Cb 0.52 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3he7 n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3he7 n ALA 188 N 1.81 0.00 0.18 -0.43 0.00 -1.26 -5.23 120.51 115.58 3he7 n ALA 188 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3he7 n ALA 188 Cb 0.17 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.30 3he7 n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3he7 h ALA 190 N 1.90 2.08 -0.03 0.00 0.00 -1.94 -2.00 119.26 119.28 3he7 h ALA 190 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3he7 h ALA 190 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3he7 h ALA 190 CO -0.00 -0.41 0.00 0.09 0.00 0.00 0.00 179.25 178.93 3he7 n ASN 191 N -4.06 1.60 -0.02 0.00 3.02 -1.02 -4.81 115.26 109.97 3he7 n ASN 191 Ca 0.04 -1.49 0.15 0.00 -0.03 0.00 0.00 54.58 53.25 3he7 n ASN 191 Cb 0.42 -0.02 0.60 0.00 -0.61 0.00 0.00 39.78 40.17 3he7 n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3he7 h ALA 192 N 0.34 2.24 -0.21 5.41 0.00 -1.22 -2.63 119.26 123.18 3he7 h ALA 192 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3he7 h ALA 192 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3he7 h ALA 192 CO 0.00 -0.37 -0.01 1.19 0.00 0.00 0.00 179.25 180.07 3he7 n PHE 193 N -4.44 0.76 0.27 0.00 3.01 -1.26 -4.73 117.46 111.07 3he7 n PHE 193 Ca 0.09 -0.96 0.16 0.00 1.01 0.00 0.00 57.45 57.75 3he7 n PHE 193 Cb 0.46 -0.29 0.80 0.00 -0.01 0.00 0.00 39.48 40.43 3he7 n PHE 193 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3he7 h ASN 194 N 1.38 0.00 0.80 4.37 4.21 -1.82 -0.01 115.58 124.51 3he7 h ASN 194 Ca 0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 3he7 h ASN 194 Cb 1.37 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.57 3he7 h ASN 194 CO 0.19 0.00 -0.02 0.78 -1.29 0.00 0.00 177.43 177.09 3he7 h ASN 195 N 0.00 0.00 -3.08 5.81 2.35 -1.86 -3.44 115.58 115.36 3he7 h ASN 195 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 3he7 h ASN 195 Cb 0.13 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.55 3he7 h ASN 195 CO 0.00 0.02 0.06 -0.44 -1.65 0.00 0.00 177.43 175.42 3he7 s SER 196 N -5.66 5.33 -0.50 5.81 0.01 -0.02 -4.70 113.70 113.97 3he7 s SER 196 Ca -0.00 0.30 -0.26 0.00 1.31 0.00 0.00 55.95 57.30 3he7 s SER 196 Cb 0.10 -1.21 0.03 0.00 0.21 0.00 0.00 66.02 65.15 3he7 s SER 196 CO 0.53 -1.16 0.99 -0.63 0.41 0.00 0.00 173.24 173.39 3he7 s ILE 197 N -2.88 4.35 -0.20 1.44 1.01 -1.26 -5.02 121.20 118.64 3he7 s ILE 197 Ca 0.56 0.70 -0.17 0.00 0.00 0.00 0.00 60.65 61.73 3he7 s ILE 197 Cb -0.10 -4.53 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 3he7 s ILE 197 CO 0.41 -1.00 0.47 -0.63 0.00 0.00 0.00 174.94 174.19 3he7 s ILE 198 N 4.06 5.14 0.47 2.92 1.01 -1.26 -4.87 121.20 128.67 3he7 s ILE 198 Ca 0.37 0.86 -0.22 0.00 0.00 0.00 0.00 60.65 61.66 3he7 s ILE 198 Cb -0.10 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 3he7 s ILE 198 CO 0.25 0.20 0.79 -2.65 0.00 0.00 0.00 174.94 173.53 3he7 n PRO 199 N 4.71 0.91 0.24 2.79 -0.02 -1.26 -4.87 135.00 137.50 3he7 n PRO 199 Ca -0.06 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 3he7 n PRO 199 Cb 0.51 -1.84 0.61 0.00 -0.02 0.00 0.00 33.50 32.75 3he7 n PRO 199 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3he7 h GLU 200 N 0.96 0.00 -1.51 -0.52 4.11 -2.01 -2.95 114.58 112.66 3he7 h GLU 200 Ca -0.44 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.34 3he7 h GLU 200 Cb 1.37 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.26 3he7 h GLU 200 CO 0.53 0.14 0.05 -0.40 0.07 0.00 0.00 179.01 179.39 3he7 n ASP 201 N -4.13 6.04 -4.69 3.06 5.68 -1.26 -5.01 116.55 116.23 3he7 n ASP 201 Ca -0.02 -3.77 -0.42 0.00 -0.50 0.00 0.00 54.79 50.08 3he7 n ASP 201 Cb 0.22 -0.71 -0.03 0.00 -1.14 0.00 0.00 41.12 39.46 3he7 n ASP 201 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3he7 s THR 202 N -5.17 4.86 -0.18 2.12 2.01 -1.12 -4.53 115.64 113.64 3he7 s THR 202 Ca 0.52 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 64.11 3he7 s THR 202 Cb 0.43 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 3he7 s THR 202 CO -0.21 0.08 1.30 0.12 -0.69 0.00 0.00 174.62 175.22 3he7 s PHE 203 N 1.62 2.76 -0.66 4.92 5.36 0.51 -4.93 117.98 127.55 3he7 s PHE 203 Ca 0.46 0.93 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 3he7 s PHE 203 Cb -0.19 -3.59 0.16 0.00 -0.34 0.00 0.00 43.02 39.07 3he7 s PHE 203 CO 0.19 -1.86 0.45 -0.06 -1.46 0.00 0.00 175.22 172.49 3he7 s PHE 204 N 3.68 3.46 0.32 10.12 0.40 -1.26 -1.50 117.98 133.20 3he7 s PHE 204 Ca 0.56 -3.14 -0.29 0.00 -0.60 0.00 0.00 56.93 53.46 3he7 s PHE 204 Cb -0.22 -2.90 -0.10 0.00 0.51 0.00 0.00 43.02 40.31 3he7 s PHE 204 CO 0.17 -0.68 1.31 -1.25 0.70 0.00 0.00 175.22 175.46 3he7 s PRO 205 N -0.84 4.36 0.16 0.24 0.04 -1.26 -4.97 135.00 132.72 3he7 s PRO 205 Ca 0.21 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 3he7 s PRO 205 Cb -0.15 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 3he7 s PRO 205 CO -0.08 -0.19 1.02 -1.12 0.04 0.00 0.00 177.00 176.67 3he7 s SER 206 N -0.41 7.41 0.00 6.66 0.01 -1.26 -4.96 113.70 121.15 3he7 s SER 206 Ca 0.50 1.94 0.05 0.00 1.31 0.00 0.00 55.95 59.75 3he7 s SER 206 Cb -0.39 -2.60 0.32 0.00 0.21 0.00 0.00 66.02 63.56 3he7 s SER 206 CO 0.51 -0.11 0.79 -2.65 0.41 0.00 0.00 173.24 172.20