#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdr n ASP 6 N 0.00 -0.18 0.23 1.61 5.75 -1.26 -5.05 116.55 117.65 3bdr n ASP 6 Ca 0.00 -1.51 -0.15 0.00 -0.01 0.00 0.00 54.79 53.12 3bdr n ASP 6 Cb 0.00 0.41 -0.08 0.00 -1.03 0.00 0.00 41.12 40.42 3bdr n ASP 6 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3bdr h ILE 7 N 1.25 0.60 -0.83 2.12 5.03 -1.99 0.36 117.51 124.05 3bdr h ILE 7 Ca -0.06 -0.14 0.19 0.00 -0.12 0.00 0.00 64.86 64.73 3bdr h ILE 7 Cb 0.28 0.68 -0.12 0.00 -3.03 0.00 0.00 36.82 34.63 3bdr h ILE 7 CO 0.08 0.03 0.32 -0.09 -0.68 0.00 0.00 178.15 177.81 3bdr h ARG 8 N -0.63 0.37 -0.38 2.37 1.12 -1.94 0.99 114.38 116.29 3bdr h ARG 8 Ca -0.06 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.76 3bdr h ARG 8 Cb 0.46 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.32 3bdr h ARG 8 CO 0.09 0.24 0.10 -0.44 -3.11 0.00 0.00 179.97 176.86 3bdr h ASP 9 N 0.38 0.56 -0.82 -3.80 3.45 -1.92 0.15 116.42 114.42 3bdr h ASP 9 Ca 0.50 -0.22 -0.03 0.00 0.43 0.00 0.00 57.03 57.70 3bdr h ASP 9 Cb 0.88 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.47 3bdr h ASP 9 CO -0.50 0.63 0.38 0.15 -1.57 0.00 0.00 179.24 178.33 3bdr h PHE 10 N 0.46 1.19 -0.30 4.55 3.57 0.15 0.17 116.94 126.73 3bdr h PHE 10 Ca 0.12 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3bdr h PHE 10 Cb 0.28 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3bdr h PHE 10 CO 0.01 0.87 -0.06 0.74 -2.23 0.00 0.00 178.31 177.63 3bdr h PHE 11 N 1.16 0.63 -0.21 0.41 -1.00 0.12 -1.93 116.94 116.13 3bdr h PHE 11 Ca 0.28 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.94 3bdr h PHE 11 Cb 0.13 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 3bdr h PHE 11 CO 0.01 0.75 0.08 0.00 -1.61 0.00 0.00 178.31 177.55 3bdr h ALA 12 N 0.79 0.23 -0.76 2.45 0.00 -0.34 -2.39 119.26 119.24 3bdr h ALA 12 Ca 0.08 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3bdr h ALA 12 Cb 0.54 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3bdr h ALA 12 CO 0.03 -0.34 0.50 0.37 0.00 0.00 0.00 179.25 179.80 3bdr h GLN 13 N 0.18 0.69 0.00 0.00 5.75 -0.89 -1.53 115.11 119.32 3bdr h GLN 13 Ca 0.09 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 3bdr h GLN 13 Cb 0.05 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3bdr h GLN 13 CO -0.08 0.46 -0.22 0.77 -2.65 0.00 0.00 178.83 177.10 3bdr h SER 14 N 0.71 0.00 -2.83 -0.69 0.02 -0.84 -3.46 113.55 106.46 3bdr h SER 14 Ca 0.34 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.70 3bdr h SER 14 Cb 0.39 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.07 3bdr h SER 14 CO -0.12 0.22 -0.08 0.00 -1.14 0.00 0.00 176.83 175.71 3bdr n ALA 15 N -2.22 -0.51 0.00 3.77 0.00 -0.58 -4.65 120.51 116.32 3bdr n ALA 15 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3bdr n ALA 15 Cb 0.43 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3bdr n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdr n GLY 16 N 1.45 0.71 3.70 0.00 0.00 0.20 -4.91 105.19 106.34 3bdr n GLY 16 Ca 0.11 -2.25 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 3bdr n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdr s ARG 17 N -0.78 3.54 0.07 1.61 0.52 -1.26 -0.94 118.95 121.72 3bdr s ARG 17 Ca 0.00 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3bdr s ARG 17 Cb 0.00 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 3bdr s ARG 17 CO 0.00 0.52 -0.10 -1.58 0.02 0.00 0.00 175.30 174.16 3bdr s TRP 18 N -0.34 0.91 -0.24 -0.53 0.52 0.64 0.61 118.94 120.51 3bdr s TRP 18 Ca 0.09 -0.57 -0.11 0.00 0.02 0.00 0.00 56.10 55.53 3bdr s TRP 18 Cb -0.12 -0.52 -0.05 0.00 -1.15 0.00 0.00 33.47 31.63 3bdr s TRP 18 CO 0.02 -0.04 0.16 0.12 0.02 0.00 0.00 176.95 177.23 3bdr s PHE 19 N -1.85 3.32 -0.14 -1.98 5.36 -0.03 -0.83 117.98 121.84 3bdr s PHE 19 Ca -0.02 0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 56.18 3bdr s PHE 19 Cb -0.07 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 3bdr s PHE 19 CO 0.00 0.09 -0.10 0.45 -1.46 0.00 0.00 175.22 174.20 3bdr s SER 20 N 0.99 4.26 -0.23 6.13 0.15 0.55 -1.49 113.70 124.05 3bdr s SER 20 Ca 0.08 -0.26 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 3bdr s SER 20 Cb -0.13 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 3bdr s SER 20 CO 0.04 0.17 -0.08 -1.58 1.20 0.00 0.00 173.24 172.99 3bdr s GLN 21 N 0.32 3.01 -0.07 5.44 2.00 0.07 -1.00 119.66 129.44 3bdr s GLN 21 Ca -0.08 -0.86 0.03 0.00 -2.00 0.00 0.00 55.36 52.45 3bdr s GLN 21 Cb -0.15 -2.93 -0.02 0.00 0.80 0.00 0.00 33.01 30.70 3bdr s GLN 21 CO 0.05 -0.32 -0.15 0.50 -0.50 0.00 0.00 175.29 174.88 3bdr s ARG 22 N 1.36 2.70 -0.03 1.67 3.52 -0.49 -1.40 118.95 126.29 3bdr s ARG 22 Ca 0.02 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3bdr s ARG 22 Cb -0.15 -2.42 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 3bdr s ARG 22 CO -0.05 0.52 -0.08 0.99 -0.81 0.00 0.00 175.30 175.86 3bdr s THR 23 N -0.46 0.76 -0.03 4.11 2.01 -0.57 -0.17 115.64 121.29 3bdr s THR 23 Ca 0.06 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 61.78 3bdr s THR 23 Cb -0.12 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 3bdr s THR 23 CO 0.02 0.25 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.59 3bdr s SER 24 N 0.36 2.01 -0.19 3.53 0.01 0.07 -0.99 113.70 118.51 3bdr s SER 24 Ca -0.06 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 3bdr s SER 24 Cb -0.10 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 3bdr s SER 24 CO 0.01 0.18 0.00 -1.00 0.41 0.00 0.00 173.24 172.84 3bdr s HIS 25 N -0.19 3.07 -0.70 2.43 3.76 0.12 -1.20 115.29 122.58 3bdr s HIS 25 Ca 0.02 -0.32 -0.15 0.00 -0.15 0.00 0.00 55.06 54.45 3bdr s HIS 25 Cb -0.09 -2.06 0.17 0.00 1.11 0.00 0.00 32.58 31.72 3bdr s HIS 25 CO 0.01 -0.13 0.68 -1.01 -0.85 0.00 0.00 174.74 173.44 3bdr s HIS 26 N 0.76 3.47 0.03 1.40 3.76 -0.95 -1.83 115.29 121.93 3bdr s HIS 26 Ca 0.00 -1.61 -0.07 0.00 -0.15 0.00 0.00 55.06 53.23 3bdr s HIS 26 Cb -0.14 -3.85 -0.02 0.00 1.11 0.00 0.00 32.58 29.68 3bdr s HIS 26 CO 0.02 -1.05 1.12 -0.07 -0.85 0.00 0.00 174.74 173.91 3bdr h LEU 27 N 8.51 -0.46 -0.83 0.89 3.38 -1.81 -0.26 115.31 124.73 3bdr h LEU 27 Ca -0.08 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.16 3bdr h LEU 27 Cb 1.07 0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.89 3bdr h LEU 27 CO 0.91 -0.07 0.27 0.00 0.09 0.00 0.00 178.44 179.63 3bdr h ALA 28 N -0.82 1.21 -0.38 1.53 0.00 -1.79 -0.99 119.26 118.01 3bdr h ALA 28 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3bdr h ALA 28 Cb 0.11 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3bdr h ALA 28 CO -0.18 -0.37 0.00 1.19 0.00 0.00 0.00 179.25 179.89 3bdr n PHE 29 N -5.14 0.49 -4.31 0.00 3.01 -1.04 -4.95 117.46 105.52 3bdr n PHE 29 Ca 0.19 -0.25 -0.31 0.00 1.01 0.00 0.00 57.45 58.09 3bdr n PHE 29 Cb 0.59 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.96 3bdr n PHE 29 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3bdr n LYS 30 N 0.90 -1.04 -2.15 -1.08 0.00 -0.14 -4.94 118.16 109.71 3bdr n LYS 30 Ca 0.17 0.11 -0.07 0.00 -0.00 0.00 0.00 58.31 58.52 3bdr n LYS 30 Cb 0.44 -3.68 -0.00 0.00 -0.00 0.00 0.00 35.03 31.79 3bdr n LYS 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3bdr n GLN 31 N -4.56 1.30 -3.64 -1.58 6.02 -1.00 -4.96 117.38 108.96 3bdr n GLN 31 Ca -0.31 -0.91 -0.04 0.00 -0.01 0.00 0.00 57.00 55.73 3bdr n GLN 31 Cb 0.69 0.11 -0.07 0.00 1.02 0.00 0.00 30.24 31.99 3bdr n GLN 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3bdr s THR 32 N -0.76 0.00 -0.03 5.09 -1.32 -1.26 -2.25 115.64 115.12 3bdr s THR 32 Ca 0.08 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.58 3bdr s THR 32 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 3bdr s THR 32 CO 0.05 0.00 -0.08 -1.83 -2.21 0.00 0.00 174.62 170.55 3bdr s GLU 33 N 0.98 0.89 0.27 7.08 -1.05 -0.34 -4.97 118.70 121.56 3bdr s GLU 33 Ca -0.05 -0.26 0.11 0.00 -0.15 0.00 0.00 54.97 54.61 3bdr s GLU 33 Cb -0.04 -0.84 -0.05 0.00 -0.44 0.00 0.00 34.13 32.76 3bdr s GLU 33 CO -0.13 0.08 -0.17 -1.12 0.95 0.00 0.00 175.26 174.88 3bdr s SER 34 N 0.27 3.38 -0.28 0.83 0.01 -1.26 -0.75 113.70 115.91 3bdr s SER 34 Ca -0.04 -1.06 -0.23 0.00 1.31 0.00 0.00 55.95 55.93 3bdr s SER 34 Cb -0.09 -0.27 0.10 0.00 0.21 0.00 0.00 66.02 65.98 3bdr s SER 34 CO 0.00 -0.05 0.90 -0.83 0.41 0.00 0.00 173.24 173.67 3bdr s GLY 35 N -3.48 -0.30 0.47 3.44 0.00 0.76 -4.98 107.32 103.23 3bdr s GLY 35 Ca 0.29 2.50 -0.03 0.00 0.00 0.00 0.00 44.72 47.48 3bdr s GLY 35 CO 0.14 1.95 0.74 0.54 0.00 0.00 0.00 173.10 176.46 3bdr s LYS 36 N 0.54 3.31 -0.04 2.90 1.02 -1.26 -1.39 119.74 124.82 3bdr s LYS 36 Ca -0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 3bdr s LYS 36 Cb -0.05 -2.45 0.11 0.00 -0.52 0.00 0.00 37.83 34.92 3bdr s LYS 36 CO -0.06 -0.24 0.95 0.45 -0.92 0.00 0.00 175.35 175.52 3bdr s SER 37 N -4.15 -0.32 0.04 2.83 0.15 -0.17 -4.20 113.70 107.87 3bdr s SER 37 Ca 0.47 0.00 0.04 0.00 0.70 0.00 0.00 55.95 57.16 3bdr s SER 37 Cb -0.10 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 3bdr s SER 37 CO 0.42 -0.55 -0.03 -1.10 1.20 0.00 0.00 173.24 173.18 3bdr s GLN 38 N -2.99 2.58 -0.01 5.44 -1.52 -0.67 -0.33 119.66 122.17 3bdr s GLN 38 Ca 0.06 -0.76 0.01 0.00 -1.95 0.00 0.00 55.36 52.72 3bdr s GLN 38 Cb -0.01 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 3bdr s GLN 38 CO -0.08 0.58 -0.04 -1.17 -0.25 0.00 0.00 175.29 174.32 3bdr s LEU 39 N -1.85 1.87 -0.20 2.90 2.96 -0.01 -2.35 118.68 122.00 3bdr s LEU 39 Ca 0.21 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3bdr s LEU 39 Cb -0.11 -0.25 0.05 0.00 0.50 0.00 0.00 46.19 46.37 3bdr s LEU 39 CO 0.13 0.03 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.27 3bdr s THR 40 N 0.09 1.09 -0.29 3.68 2.01 0.23 -0.26 115.64 122.18 3bdr s THR 40 Ca -0.01 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 3bdr s THR 40 Cb -0.04 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.11 3bdr s THR 40 CO -0.00 -0.04 0.03 -0.63 -0.69 0.00 0.00 174.62 173.29 3bdr s ILE 41 N 1.61 3.45 -0.16 1.82 1.01 -0.11 -1.66 121.20 127.16 3bdr s ILE 41 Ca -0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 3bdr s ILE 41 Cb -0.17 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 3bdr s ILE 41 CO -0.07 0.01 -0.14 -1.83 0.00 0.00 0.00 174.94 172.91 3bdr s GLU 42 N 1.38 3.25 0.11 2.79 -1.05 -0.95 0.60 118.70 124.84 3bdr s GLU 42 Ca -0.01 -0.73 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 3bdr s GLU 42 Cb -0.18 -2.66 -0.07 0.00 -0.44 0.00 0.00 34.13 30.79 3bdr s GLU 42 CO 0.00 0.02 1.17 -1.17 0.95 0.00 0.00 175.26 176.24 3bdr s LEU 43 N 0.81 4.41 0.05 1.83 0.20 -1.26 -1.38 118.68 123.33 3bdr s LEU 43 Ca -0.05 2.07 0.03 0.00 0.69 0.00 0.00 54.13 56.88 3bdr s LEU 43 Cb -0.15 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 3bdr s LEU 43 CO 0.00 -0.39 0.01 -0.76 -0.29 0.00 0.00 176.35 174.92 3bdr s LEU 44 N 0.46 3.51 0.38 -0.68 1.43 -0.57 -4.92 118.68 118.29 3bdr s LEU 44 Ca 0.55 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 3bdr s LEU 44 Cb -0.30 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 3bdr s LEU 44 CO 0.32 0.22 0.73 -0.94 0.23 0.00 0.00 176.35 176.91 3bdr s SER 45 N -1.98 6.51 0.61 2.29 1.04 -1.26 -1.46 113.70 119.46 3bdr s SER 45 Ca 0.23 1.06 0.30 0.00 0.48 0.00 0.00 55.95 58.02 3bdr s SER 45 Cb -0.12 -2.29 1.66 0.00 0.10 0.00 0.00 66.02 65.38 3bdr s SER 45 CO 0.15 -0.36 2.03 0.58 0.98 0.00 0.00 173.24 176.62 3bdr h VAL 46 N 1.16 0.30 -0.30 5.02 2.07 -1.86 0.24 116.25 122.87 3bdr h VAL 46 Ca -0.47 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 3bdr h VAL 46 Cb 1.19 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3bdr h VAL 46 CO 0.64 0.00 -0.42 0.44 0.02 0.00 0.00 177.57 178.25 3bdr h ASP 47 N 0.00 0.81 -1.30 0.57 3.45 -1.95 -3.41 116.42 114.59 3bdr h ASP 47 Ca 0.09 -0.38 -0.73 0.00 0.43 0.00 0.00 57.03 56.45 3bdr h ASP 47 Cb 0.67 -0.23 0.06 0.00 -0.56 0.00 0.00 39.33 39.27 3bdr h ASP 47 CO -0.00 1.12 0.09 -0.67 -1.57 0.00 0.00 179.24 178.21 3bdr n ASP 48 N -4.03 0.37 0.24 6.45 -0.08 0.84 -4.82 116.55 115.52 3bdr n ASP 48 Ca -0.02 1.14 0.07 0.00 -1.51 0.00 0.00 54.79 54.47 3bdr n ASP 48 Cb 0.55 -1.03 0.60 0.00 2.34 0.00 0.00 41.12 43.58 3bdr n ASP 48 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3bdr h PRO 49 N 3.08 0.03 -0.67 -0.67 0.13 -1.88 -2.33 132.00 129.69 3bdr h PRO 49 Ca -0.46 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3bdr h PRO 49 Cb 1.40 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 3bdr h PRO 49 CO 0.67 0.05 0.28 0.00 -0.23 0.00 0.00 178.00 178.78 3bdr h ALA 50 N 1.95 0.87 0.57 -0.56 0.00 -1.94 -0.83 119.26 119.31 3bdr h ALA 50 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3bdr h ALA 50 Cb 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3bdr h ALA 50 CO 0.00 0.47 -0.27 0.28 0.00 0.00 0.00 179.25 179.73 3bdr h VAL 51 N 0.94 0.38 -0.45 0.00 2.07 -1.74 -2.42 116.25 115.03 3bdr h VAL 51 Ca 0.22 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3bdr h VAL 51 Cb 0.19 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 3bdr h VAL 51 CO -0.02 0.03 -0.18 0.40 0.02 0.00 0.00 177.57 177.82 3bdr h ILE 52 N -0.92 0.42 -0.59 4.57 2.04 -1.43 -0.52 117.51 121.09 3bdr h ILE 52 Ca -0.08 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.89 3bdr h ILE 52 Cb 0.64 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 3bdr h ILE 52 CO 0.13 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.43 3bdr h ALA 53 N 1.27 0.71 -0.51 1.87 0.00 -1.12 -1.76 119.26 119.72 3bdr h ALA 53 Ca 0.22 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 3bdr h ALA 53 Cb 0.42 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3bdr h ALA 53 CO -0.51 -0.28 -0.02 1.25 0.00 0.00 0.00 179.25 179.69 3bdr h LEU 54 N 0.29 0.90 0.54 0.00 6.46 -0.75 0.26 115.31 123.01 3bdr h LEU 54 Ca 0.31 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3bdr h LEU 54 Cb 0.43 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3bdr h LEU 54 CO -0.37 1.00 -0.35 0.00 -0.62 0.00 0.00 178.44 178.11 3bdr h GLN 56 N -0.84 0.39 -0.49 0.00 3.07 -1.41 0.19 115.11 116.03 3bdr h GLN 56 Ca -0.07 -0.02 0.06 0.00 0.09 0.00 0.00 58.65 58.70 3bdr h GLN 56 Cb 0.67 -0.09 -0.05 0.00 0.08 0.00 0.00 27.48 28.10 3bdr h GLN 56 CO 0.06 0.26 0.21 0.37 0.09 0.00 0.00 178.83 179.82 3bdr h GLN 57 N 0.40 0.40 -0.51 0.06 -0.00 -0.31 0.60 115.11 115.75 3bdr h GLN 57 Ca 0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 3bdr h GLN 57 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.77 3bdr h GLN 57 CO -0.06 0.26 0.00 0.66 0.00 0.00 0.00 178.83 179.69 3bdr n TYR 58 N -4.95 0.51 -2.75 3.99 4.02 0.53 -5.06 117.16 113.44 3bdr n TYR 58 Ca 0.04 -0.21 -0.01 0.00 -0.01 0.00 0.00 57.90 57.72 3bdr n TYR 58 Cb 0.17 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 3bdr n TYR 58 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3bdr n ASP 59 N 0.24 -8.02 -3.92 7.72 -0.08 0.21 -5.04 116.55 107.67 3bdr n ASP 59 Ca 0.09 1.32 -0.26 0.00 -1.51 0.00 0.00 54.79 54.42 3bdr n ASP 59 Cb 0.37 -5.28 -0.17 0.00 2.34 0.00 0.00 41.12 38.39 3bdr n ASP 59 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3bdr s ASP 61 N -1.73 2.12 0.19 1.67 3.68 -1.26 -4.91 116.67 116.42 3bdr s ASP 61 Ca 0.03 -0.30 0.08 0.00 2.13 0.00 0.00 52.55 54.49 3bdr s ASP 61 Cb -0.01 -0.84 0.46 0.00 -1.45 0.00 0.00 42.92 41.08 3bdr s ASP 61 CO 0.77 -0.10 1.13 -2.65 0.13 0.00 0.00 175.17 174.45 3bdr n PRO 62 N 4.80 0.06 0.02 4.34 -0.02 -1.26 -0.57 135.00 142.36 3bdr n PRO 62 Ca -0.14 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 3bdr n PRO 62 Cb 0.50 -1.92 0.44 0.00 -0.02 0.00 0.00 33.50 32.50 3bdr n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bdr n ALA 63 N -1.48 1.92 -0.08 3.55 0.00 -1.26 -2.93 120.51 120.23 3bdr n ALA 63 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 3bdr n ALA 63 Cb 0.24 -1.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.20 3bdr n ALA 63 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3bdr n TRP 64 N -1.59 0.18 -1.67 0.00 8.01 0.27 -4.93 117.44 117.70 3bdr n TRP 64 Ca 0.05 0.06 -0.45 0.00 -1.31 0.00 0.00 57.50 55.85 3bdr n TRP 64 Cb 0.25 -1.01 -0.04 0.00 -2.01 0.00 0.00 31.31 28.50 3bdr n TRP 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3bdr n ALA 65 N -2.69 1.23 0.12 6.99 0.00 -1.15 -4.77 120.51 120.23 3bdr n ALA 65 Ca -0.29 0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.49 3bdr n ALA 65 Cb 1.11 -2.58 0.03 0.00 0.00 0.00 0.00 19.45 18.01 3bdr n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3bdr h VAL 66 N 5.50 0.19 0.00 0.00 2.07 -1.88 -3.45 116.25 118.69 3bdr h VAL 66 Ca -0.49 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3bdr h VAL 66 Cb 1.26 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3bdr h VAL 66 CO 0.94 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.65 3bdr n GLY 68 N -0.24 2.99 3.60 0.00 0.00 -0.53 -3.78 105.19 107.22 3bdr n GLY 68 Ca 0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 3bdr n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdr s ALA 69 N -2.42 -1.90 -0.26 4.61 0.00 -0.56 -1.51 121.76 119.72 3bdr s ALA 69 Ca 0.17 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.88 3bdr s ALA 69 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.16 3bdr s ALA 69 CO 0.12 -0.29 -0.05 0.50 0.00 0.00 0.00 175.76 176.04 3bdr s ARG 70 N -0.29 2.62 -0.25 0.00 3.52 -0.48 -0.90 118.95 123.17 3bdr s ARG 70 Ca -0.01 -1.12 -0.09 0.00 -0.13 0.00 0.00 55.73 54.39 3bdr s ARG 70 Cb -0.03 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 3bdr s ARG 70 CO -0.01 -0.49 0.11 0.08 -0.81 0.00 0.00 175.30 174.19 3bdr s VAL 71 N 1.27 4.73 0.02 7.11 1.01 -0.15 -2.23 120.40 132.15 3bdr s VAL 71 Ca -0.03 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3bdr s VAL 71 Cb -0.18 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3bdr s VAL 71 CO -0.04 0.33 -0.23 -0.44 0.00 0.00 0.00 175.10 174.72 3bdr s SER 72 N 1.46 2.70 0.38 3.32 0.01 -0.67 -0.87 113.70 120.04 3bdr s SER 72 Ca 0.06 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.89 3bdr s SER 72 Cb -0.15 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 3bdr s SER 72 CO 0.06 0.24 0.21 -2.67 0.41 0.00 0.00 173.24 171.48 3bdr n TRP 73 N 2.14 -0.27 -3.38 2.43 2.14 -0.86 -0.60 117.44 119.04 3bdr n TRP 73 Ca -0.16 -2.75 0.02 0.00 2.07 0.00 0.00 57.50 56.67 3bdr n TRP 73 Cb 0.52 0.13 -0.04 0.00 -0.81 0.00 0.00 31.31 31.11 3bdr n TRP 73 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3bdr s ASP 74 N -3.48 -0.48 0.00 -0.67 -1.08 -0.99 -3.52 116.67 106.45 3bdr s ASP 74 Ca 0.30 0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 3bdr s ASP 74 Cb 0.01 1.52 0.00 0.00 -1.46 0.00 0.00 42.92 43.00 3bdr s ASP 74 CO 0.21 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.42 3bdr n GLY 75 N 4.79 4.04 0.00 2.66 0.00 -1.26 -1.66 105.19 113.76 3bdr n GLY 75 Ca -0.09 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3bdr n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3bdr n THR 76 N -1.55 0.00 0.00 2.61 5.66 -1.26 -4.62 114.28 115.12 3bdr n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3bdr n THR 76 Cb 0.00 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 3bdr n THR 76 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3bdr n HIS 84 N 0.00 0.00 -3.67 1.09 -0.00 -1.26 -4.31 115.22 107.08 3bdr n HIS 84 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 3bdr n HIS 84 Cb 0.00 -1.15 -0.01 0.00 -0.00 0.00 0.00 29.99 28.83 3bdr n HIS 84 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 3bdr s GLU 85 N -5.15 0.89 0.00 1.57 4.04 -1.26 -4.60 118.70 114.18 3bdr s GLU 85 Ca 0.00 -0.46 0.00 0.00 0.04 0.00 0.00 54.97 54.55 3bdr s GLU 85 Cb 0.00 0.33 0.00 0.00 0.02 0.00 0.00 34.13 34.48 3bdr s GLU 85 CO 0.00 -0.40 0.00 0.41 -1.84 0.00 0.00 175.26 173.43 3bdr n GLY 86 N -0.41 -0.62 3.61 -3.83 0.00 -1.23 -5.02 105.19 97.70 3bdr n GLY 86 Ca -0.07 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 3bdr n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdr s SER 87 N -4.00 -0.81 0.09 1.61 0.15 -1.26 -2.04 113.70 107.44 3bdr s SER 87 Ca 0.00 1.44 0.01 0.00 0.70 0.00 0.00 55.95 58.10 3bdr s SER 87 Cb 0.00 1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 3bdr s SER 87 CO 0.00 -0.24 -0.06 0.28 1.20 0.00 0.00 173.24 174.42 3bdr s THR 88 N 0.89 0.61 -0.05 6.45 -1.32 -0.05 -4.99 115.64 117.18 3bdr s THR 88 Ca -0.04 -1.88 0.05 0.00 -1.21 0.00 0.00 61.69 58.61 3bdr s THR 88 Cb -0.05 -1.61 -0.02 0.00 -1.51 0.00 0.00 72.50 69.31 3bdr s THR 88 CO -0.07 -0.87 -0.20 -0.69 -2.21 0.00 0.00 174.62 170.57 3bdr s VAL 89 N -3.57 2.54 -0.05 5.08 1.01 -1.26 -0.98 120.40 123.18 3bdr s VAL 89 Ca 0.10 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3bdr s VAL 89 Cb 0.05 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3bdr s VAL 89 CO -0.05 0.58 -0.25 -0.76 0.00 0.00 0.00 175.10 174.62 3bdr s LEU 90 N -0.45 2.05 -0.12 3.92 1.43 -0.07 -2.06 118.68 123.37 3bdr s LEU 90 Ca 0.05 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3bdr s LEU 90 Cb -0.12 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.82 3bdr s LEU 90 CO 0.01 0.26 0.05 -0.69 0.23 0.00 0.00 176.35 176.21 3bdr s VAL 91 N -0.28 0.18 0.01 -1.59 1.01 -0.21 -1.49 120.40 118.03 3bdr s VAL 91 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3bdr s VAL 91 Cb -0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3bdr s VAL 91 CO 0.02 -0.03 0.93 -2.16 0.00 0.00 0.00 175.10 173.86 3bdr s PRO 92 N 2.03 4.56 0.31 2.72 0.04 -1.25 -0.13 135.00 143.28 3bdr s PRO 92 Ca 0.03 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.43 3bdr s PRO 92 Cb -0.15 -3.44 0.02 0.00 0.04 0.00 0.00 34.50 30.97 3bdr s PRO 92 CO -0.07 0.01 0.18 -0.89 0.04 0.00 0.00 177.00 176.28 3bdr n ILE 93 N 3.69 0.00 -4.33 0.56 2.08 0.17 -3.21 119.36 118.32 3bdr n ILE 93 Ca 0.04 -1.29 -0.17 0.00 0.56 0.00 0.00 62.75 61.89 3bdr n ILE 93 Cb 0.51 -0.10 -0.10 0.00 -0.75 0.00 0.00 39.64 39.19 3bdr n ILE 93 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 3bdr s ASP 95 N -2.80 2.04 -0.44 4.38 -0.00 -1.12 -0.53 116.67 118.19 3bdr s ASP 95 Ca 0.14 -1.15 -0.42 0.00 -0.00 0.00 0.00 52.55 51.11 3bdr s ASP 95 Cb -0.01 -0.04 -0.17 0.00 -0.00 0.00 0.00 42.92 42.70 3bdr s ASP 95 CO 0.09 -0.42 2.06 0.00 -0.00 0.00 0.00 175.17 176.90 3bdr n GLN 96 N -0.40 0.36 -3.97 8.23 3.00 -1.26 -0.83 117.38 122.52 3bdr n GLN 96 Ca -0.06 0.11 -0.26 0.00 -0.01 0.00 0.00 57.00 56.77 3bdr n GLN 96 Cb 0.63 -1.79 -0.02 0.00 0.00 0.00 0.00 30.24 29.06 3bdr n GLN 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bdr n GLY 97 N 6.62 -0.24 3.06 1.08 0.00 -1.26 -4.98 105.19 109.47 3bdr n GLY 97 Ca 0.47 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 3bdr n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdr s SER 98 N -4.28 1.19 -0.28 1.61 0.15 -0.01 -5.12 113.70 106.96 3bdr s SER 98 Ca 0.06 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.51 3bdr s SER 98 Cb -0.03 -0.10 0.46 0.00 -1.71 0.00 0.00 66.02 64.64 3bdr s SER 98 CO 0.89 0.05 1.19 0.54 1.20 0.00 0.00 173.24 177.11 3bdr n ARG 99 N 2.44 3.37 -0.47 5.44 3.00 -1.26 -4.19 116.66 124.97 3bdr n ARG 99 Ca -0.16 -4.07 -0.18 0.00 -0.01 0.00 0.00 57.85 53.44 3bdr n ARG 99 Cb 0.56 -2.19 0.02 0.00 0.00 0.00 0.00 32.46 30.84 3bdr n ARG 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3bdr n GLU 101 N -0.73 0.00 -1.14 5.56 1.02 -1.26 -4.13 120.64 119.96 3bdr n GLU 101 Ca 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3bdr n GLU 101 Cb 0.94 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 3bdr n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bdr n GLY 102 N 1.65 -0.35 3.55 0.62 0.00 -1.12 -2.79 105.19 106.75 3bdr n GLY 102 Ca -0.01 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 3bdr n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdr s LYS 103 N -2.00 2.14 -0.23 1.61 1.02 0.31 -1.95 119.74 120.64 3bdr s LYS 103 Ca 0.00 -0.99 0.01 0.00 0.02 0.00 0.00 55.97 55.01 3bdr s LYS 103 Cb 0.00 -2.29 0.04 0.00 -0.52 0.00 0.00 37.83 35.06 3bdr s LYS 103 CO 0.00 0.52 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.66 3bdr s LEU 104 N -1.94 2.89 -0.12 3.17 2.96 0.10 0.44 118.68 126.17 3bdr s LEU 104 Ca 0.19 -0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 52.87 3bdr s LEU 104 Cb -0.11 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3bdr s LEU 104 CO 0.11 -0.10 0.83 -0.76 -1.32 0.00 0.00 176.35 175.10 3bdr s LEU 105 N 1.24 4.24 -0.09 -0.68 1.02 0.81 -3.66 118.68 121.55 3bdr s LEU 105 Ca -0.01 1.26 -0.00 0.00 0.02 0.00 0.00 54.13 55.39 3bdr s LEU 105 Cb -0.16 -3.26 -0.03 0.00 0.02 0.00 0.00 46.19 42.76 3bdr s LEU 105 CO -0.08 -0.32 -0.07 -0.13 0.02 0.00 0.00 176.35 175.77 3bdr s ARG 106 N 1.69 2.99 -0.08 1.70 0.52 -1.26 -1.04 118.95 123.47 3bdr s ARG 106 Ca 0.40 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 3bdr s ARG 106 Cb -0.17 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.72 3bdr s ARG 106 CO 0.16 0.53 1.64 -1.91 0.02 0.00 0.00 175.30 175.74 3bdr n GLU 107 N 2.63 1.20 0.00 3.54 2.13 -0.87 -5.03 120.64 124.23 3bdr n GLU 107 Ca -0.18 -0.41 0.00 0.00 0.66 0.00 0.00 57.16 57.23 3bdr n GLU 107 Cb 0.53 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 31.08 3bdr n GLU 107 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3bdr n GLY 118 N 0.81 3.01 3.70 8.31 0.00 -1.24 -4.68 105.19 115.10 3bdr n GLY 118 Ca 0.08 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 3bdr n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdr s ARG 119 N -3.46 2.87 0.32 1.61 0.52 0.59 0.02 118.95 121.42 3bdr s ARG 119 Ca 0.00 -0.55 0.10 0.00 -0.52 0.00 0.00 55.73 54.76 3bdr s ARG 119 Cb 0.00 -2.73 -0.06 0.00 0.52 0.00 0.00 34.95 32.68 3bdr s ARG 119 CO 0.00 0.64 -0.12 -0.59 0.02 0.00 0.00 175.30 175.26 3bdr s PHE 120 N -1.07 2.38 0.33 -0.53 -0.12 -0.82 -0.48 117.98 117.68 3bdr s PHE 120 Ca 0.19 -0.44 -0.12 0.00 -0.05 0.00 0.00 56.93 56.51 3bdr s PHE 120 Cb -0.12 -1.27 0.05 0.00 -0.63 0.00 0.00 43.02 41.05 3bdr s PHE 120 CO 0.09 0.62 0.65 0.45 -0.05 0.00 0.00 175.22 176.98 3bdr n SER 121 N -0.76 -1.90 -3.62 1.98 2.88 -0.07 -2.81 113.62 109.33 3bdr n SER 121 Ca -0.05 -2.37 -0.06 0.00 -1.33 0.00 0.00 58.87 55.05 3bdr n SER 121 Cb 0.62 3.18 -0.02 0.00 -0.75 0.00 0.00 64.21 67.25 3bdr n SER 121 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3bdr s GLY 123 N -2.76 -0.36 0.33 0.46 0.00 -0.84 -0.46 107.32 103.69 3bdr s GLY 123 Ca 0.14 0.59 0.07 0.00 0.00 0.00 0.00 44.72 45.53 3bdr s GLY 123 CO 0.11 0.18 1.84 1.48 0.00 0.00 0.00 173.10 176.70 3bdr h SER 124 N 2.00 0.73 0.17 1.64 4.64 -1.99 0.22 113.55 120.96 3bdr h SER 124 Ca -0.23 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3bdr h SER 124 Cb 1.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3bdr h SER 124 CO 0.29 0.34 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3bdr n ASP 125 N -4.62 0.00 0.00 4.97 3.85 -1.26 -2.36 116.55 117.13 3bdr n ASP 125 Ca 0.19 -0.07 0.00 0.00 -0.71 0.00 0.00 54.79 54.21 3bdr n ASP 125 Cb 0.49 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3bdr n ASP 125 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdr n GLY 126 N -0.16 0.45 3.51 6.12 0.00 0.77 -4.73 105.19 111.16 3bdr n GLY 126 Ca 0.08 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3bdr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdr s ALA 127 N -2.00 2.85 0.05 4.61 0.00 -1.25 -4.60 121.76 121.41 3bdr s ALA 127 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 3bdr s ALA 127 Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 3bdr s ALA 127 CO 0.00 0.47 0.47 -1.17 0.00 0.00 0.00 175.76 175.53 3bdr s LEU 128 N -0.45 4.47 -0.06 0.00 2.96 -0.18 -1.98 118.68 123.44 3bdr s LEU 128 Ca 0.06 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 55.06 3bdr s LEU 128 Cb -0.12 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.79 3bdr s LEU 128 CO 0.02 0.27 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.29 3bdr s THR 129 N -1.16 1.27 -0.09 3.68 2.01 0.40 -0.70 115.64 121.05 3bdr s THR 129 Ca 0.28 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3bdr s THR 129 Cb -0.17 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 3bdr s THR 129 CO 0.16 0.38 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 3bdr s LEU 130 N 0.46 2.48 -0.05 4.42 1.43 0.61 -0.89 118.68 127.14 3bdr s LEU 130 Ca -0.12 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3bdr s LEU 130 Cb -0.15 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3bdr s LEU 130 CO 0.04 0.22 -0.01 -0.63 0.23 0.00 0.00 176.35 176.20 3bdr s ILE 131 N -0.01 0.36 -0.04 -0.59 1.01 0.37 -0.62 121.20 121.67 3bdr s ILE 131 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3bdr s ILE 131 Cb -0.15 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.88 3bdr s ILE 131 CO 0.05 0.22 -0.03 0.42 0.00 0.00 0.00 174.94 175.60 3bdr s THR 132 N 1.45 0.42 -0.04 2.92 -4.23 -0.74 -0.30 115.64 115.12 3bdr s THR 132 Ca -0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 3bdr s THR 132 Cb -0.13 -0.47 0.03 0.00 1.34 0.00 0.00 72.50 73.27 3bdr s THR 132 CO -0.03 0.20 0.08 -1.83 -0.54 0.00 0.00 174.62 172.50 3bdr s GLU 133 N 0.99 0.00 0.00 3.99 -1.05 -1.26 -0.88 118.70 120.48 3bdr s GLU 133 Ca -0.10 0.28 0.00 0.00 -0.15 0.00 0.00 54.97 55.00 3bdr s GLU 133 Cb -0.14 -0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.30 3bdr s GLU 133 CO -0.01 -0.19 0.00 0.66 0.95 0.00 0.00 175.26 176.67 3bdr n TYR 134 N 4.36 0.00 0.06 4.83 4.01 -0.84 -5.02 117.16 124.56 3bdr n TYR 134 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 3bdr n TYR 134 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3bdr n TYR 134 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3bdr n GLU 135 N -0.61 0.00 -0.00 -0.72 0.00 -1.26 -4.90 120.64 113.15 3bdr n GLU 135 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 3bdr n GLU 135 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 31.44 31.16 3bdr n GLU 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3bdr n THR 136 N -3.23 0.00 -3.44 3.84 -2.24 -1.26 -4.93 114.28 103.02 3bdr n THR 136 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3bdr n THR 136 Cb 0.00 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 3bdr n THR 136 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3bdr s ILE 137 N -1.91 5.22 -0.13 2.28 2.07 -1.26 -3.16 121.20 124.32 3bdr s ILE 137 Ca 0.03 -0.41 -0.02 0.00 -1.41 0.00 0.00 60.65 58.85 3bdr s ILE 137 Cb 0.07 -3.88 -0.02 0.00 0.13 0.00 0.00 42.46 38.75 3bdr s ILE 137 CO 0.39 -0.23 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.65 3bdr s TYR 138 N 1.82 2.94 -0.11 3.50 5.04 -0.68 -1.99 117.35 127.88 3bdr s TYR 138 Ca 0.07 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 3bdr s TYR 138 Cb -0.18 -1.87 0.02 0.00 0.35 0.00 0.00 41.96 40.29 3bdr s TYR 138 CO 0.11 0.00 -0.09 0.45 -1.34 0.00 0.00 175.55 174.69 3bdr s SER 139 N 0.08 2.12 -0.16 4.32 0.15 -0.06 -0.54 113.70 119.61 3bdr s SER 139 Ca -0.02 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.32 3bdr s SER 139 Cb -0.14 -0.85 0.04 0.00 -1.71 0.00 0.00 66.02 63.36 3bdr s SER 139 CO 0.03 -0.09 -0.07 -0.70 1.20 0.00 0.00 173.24 173.61 3bdr s GLU 140 N 1.53 1.63 0.06 5.44 2.12 -0.80 -1.80 118.70 126.88 3bdr s GLU 140 Ca 0.02 -0.55 0.08 0.00 0.36 0.00 0.00 54.97 54.88 3bdr s GLU 140 Cb -0.13 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 3bdr s GLU 140 CO -0.06 -0.39 -0.20 -2.00 -0.54 0.00 0.00 175.26 172.07 3bdr s GLU 141 N 1.59 1.94 -0.17 4.30 2.12 0.21 -1.39 118.70 127.29 3bdr s GLU 141 Ca 0.01 -1.06 -0.01 0.00 0.36 0.00 0.00 54.97 54.27 3bdr s GLU 141 Cb -0.15 -2.13 0.05 0.00 0.26 0.00 0.00 34.13 32.16 3bdr s GLU 141 CO -0.08 0.52 -0.01 0.50 -0.54 0.00 0.00 175.26 175.65 3bdr s ARG 142 N -1.59 1.04 -0.02 4.30 3.52 0.52 -0.28 118.95 126.43 3bdr s ARG 142 Ca 0.15 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 3bdr s ARG 142 Cb -0.10 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 3bdr s ARG 142 CO 0.06 -0.52 0.01 -0.51 -0.81 0.00 0.00 175.30 173.54 3bdr s LEU 143 N 1.74 3.58 0.06 -0.88 1.02 0.12 -1.80 118.68 122.52 3bdr s LEU 143 Ca -0.00 0.05 -0.27 0.00 0.02 0.00 0.00 54.13 53.93 3bdr s LEU 143 Cb -0.16 -2.01 0.08 0.00 0.02 0.00 0.00 46.19 44.11 3bdr s LEU 143 CO -0.07 0.30 0.69 -1.66 0.02 0.00 0.00 176.35 175.63 3bdr s TRP 144 N -1.06 -0.53 -0.23 0.29 -2.14 0.49 -1.01 118.94 114.74 3bdr s TRP 144 Ca 0.19 0.54 -0.14 0.00 2.66 0.00 0.00 56.10 59.36 3bdr s TRP 144 Cb -0.12 0.51 -0.04 0.00 -3.10 0.00 0.00 33.47 30.72 3bdr s TRP 144 CO 0.09 -0.70 0.30 -0.06 -2.66 0.00 0.00 176.95 173.92 3bdr s PHE 145 N -2.79 3.33 -0.58 1.66 0.08 -1.26 0.16 117.98 118.57 3bdr s PHE 145 Ca -0.02 0.42 0.23 0.00 0.12 0.00 0.00 56.93 57.68 3bdr s PHE 145 Cb -0.01 -2.43 0.06 0.00 -0.57 0.00 0.00 43.02 40.07 3bdr s PHE 145 CO -0.05 -0.02 1.03 0.00 -0.10 0.00 0.00 175.22 176.08 3bdr n ALA 146 N 4.57 3.31 -3.49 5.36 0.00 0.16 -4.94 120.51 125.48 3bdr n ALA 146 Ca -0.11 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 3bdr n ALA 146 Cb 0.51 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3bdr n ALA 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bdr s SER 147 N -4.03 -0.45 0.43 0.00 0.15 -1.08 -4.94 113.70 103.79 3bdr s SER 147 Ca 0.03 0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.12 3bdr s SER 147 Cb 0.14 0.45 1.58 0.00 -1.71 0.00 0.00 66.02 66.48 3bdr s SER 147 CO 0.80 -0.67 1.90 -0.65 1.20 0.00 0.00 173.24 175.81 3bdr h PRO 148 N 2.20 0.00 -0.08 5.44 0.11 -2.00 -0.92 132.00 136.75 3bdr h PRO 148 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3bdr h PRO 148 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3bdr h PRO 148 CO 0.34 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 3bdr n ASN 149 N -2.53 2.49 -3.61 -2.05 3.02 -1.26 -4.90 115.26 106.43 3bdr n ASN 149 Ca -0.02 -2.53 -0.28 0.00 -0.03 0.00 0.00 54.58 51.72 3bdr n ASN 149 Cb 0.05 -0.26 -0.15 0.00 -0.61 0.00 0.00 39.78 38.81 3bdr n ASN 149 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3bdr s LEU 150 N -1.92 0.88 -0.14 3.41 0.20 -0.35 -1.66 118.68 119.10 3bdr s LEU 150 Ca 0.20 -1.19 -0.05 0.00 0.69 0.00 0.00 54.13 53.78 3bdr s LEU 150 Cb 0.16 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.44 3bdr s LEU 150 CO 0.04 -0.41 0.02 -0.60 -0.29 0.00 0.00 176.35 175.12 3bdr s ARG 151 N 2.00 3.53 0.17 1.98 3.52 -0.03 -0.67 118.95 129.46 3bdr s ARG 151 Ca 0.07 -0.39 0.09 0.00 -0.13 0.00 0.00 55.73 55.37 3bdr s ARG 151 Cb -0.16 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3bdr s ARG 151 CO -0.27 0.45 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.98 3bdr s LEU 152 N -0.16 2.45 -0.21 -0.88 1.43 0.12 -0.69 118.68 120.74 3bdr s LEU 152 Ca 0.06 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.11 3bdr s LEU 152 Cb -0.12 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.32 3bdr s LEU 152 CO 0.02 -0.04 0.54 0.00 0.23 0.00 0.00 176.35 177.10 3bdr s ARG 153 N -2.89 0.59 0.32 1.70 1.04 -0.92 -0.38 118.95 118.41 3bdr s ARG 153 Ca 0.17 0.84 0.09 0.00 -1.04 0.00 0.00 55.73 55.79 3bdr s ARG 153 Cb -0.05 0.21 -0.05 0.00 -2.04 0.00 0.00 34.95 33.01 3bdr s ARG 153 CO 0.07 -0.11 -0.02 0.95 -0.04 0.00 0.00 175.30 176.15 3bdr s THR 154 N 0.76 2.69 0.04 4.99 -4.23 -0.75 -1.42 115.64 117.71 3bdr s THR 154 Ca -0.04 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.18 3bdr s THR 154 Cb -0.05 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.13 3bdr s THR 154 CO -0.06 -0.24 0.73 -0.94 -0.54 0.00 0.00 174.62 173.57 3bdr s SER 155 N -3.68 -0.52 0.04 3.99 1.04 -0.75 -0.36 113.70 113.46 3bdr s SER 155 Ca 0.34 0.21 0.02 0.00 0.48 0.00 0.00 55.95 57.00 3bdr s SER 155 Cb -0.01 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 3bdr s SER 155 CO 0.19 -0.73 -0.08 0.27 0.98 0.00 0.00 173.24 173.87 3bdr s ILE 156 N -2.72 0.56 -0.12 -1.02 -5.25 -0.49 -1.63 121.20 110.54 3bdr s ILE 156 Ca -0.01 -1.03 -0.00 0.00 -0.99 0.00 0.00 60.65 58.62 3bdr s ILE 156 Cb -0.01 -0.62 0.02 0.00 2.95 0.00 0.00 42.46 44.81 3bdr s ILE 156 CO -0.05 -0.34 -0.09 -0.22 -1.79 0.00 0.00 174.94 172.45 3bdr s LEU 157 N -1.49 1.33 -0.08 0.37 1.98 -1.26 -1.91 118.68 117.62 3bdr s LEU 157 Ca -0.09 -0.34 -0.02 0.00 -2.89 0.00 0.00 54.13 50.79 3bdr s LEU 157 Cb -0.09 -0.91 -0.03 0.00 0.66 0.00 0.00 46.19 45.81 3bdr s LEU 157 CO 0.00 -0.09 0.00 -0.75 -1.89 0.00 0.00 176.35 173.63 3bdr s LYS 158 N 1.56 2.98 -0.22 1.98 2.20 0.30 0.07 119.74 128.61 3bdr s LYS 158 Ca 0.03 -0.41 -0.09 0.00 -0.36 0.00 0.00 55.97 55.14 3bdr s LYS 158 Cb -0.13 -2.79 0.09 0.00 -1.51 0.00 0.00 37.83 33.49 3bdr s LYS 158 CO -0.08 0.70 0.48 0.50 -0.36 0.00 0.00 175.35 176.60 3bdr s ARG 159 N -0.91 0.41 -1.21 4.03 3.52 0.74 -1.68 118.95 123.85 3bdr s ARG 159 Ca 0.13 1.08 -0.02 0.00 -0.13 0.00 0.00 55.73 56.80 3bdr s ARG 159 Cb -0.11 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.62 3bdr s ARG 159 CO 0.03 -0.22 0.87 1.19 -0.81 0.00 0.00 175.30 176.36 3bdr n PHE 160 N 5.11 -2.11 -1.10 5.12 3.72 -1.19 -2.50 117.46 124.51 3bdr n PHE 160 Ca -0.13 0.87 -0.03 0.00 -0.05 0.00 0.00 57.45 58.10 3bdr n PHE 160 Cb 0.51 -4.61 -0.01 0.00 -0.94 0.00 0.00 39.48 34.43 3bdr n PHE 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bdr n GLY 161 N -1.33 0.55 3.22 1.37 0.00 -1.26 -4.99 105.19 102.73 3bdr n GLY 161 Ca -0.25 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3bdr n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bdr s GLY 162 N -2.28 -0.22 0.22 -0.02 0.00 -1.04 -5.12 107.32 98.86 3bdr s GLY 162 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 3bdr s GLY 162 CO 0.00 0.65 1.33 -1.36 0.00 0.00 0.00 173.10 173.73 3bdr s PHE 163 N -0.11 3.20 -0.01 1.90 0.08 -1.26 -0.19 117.98 121.60 3bdr s PHE 163 Ca -0.03 1.20 0.01 0.00 0.12 0.00 0.00 56.93 58.23 3bdr s PHE 163 Cb -0.03 -3.64 0.01 0.00 -0.57 0.00 0.00 43.02 38.79 3bdr s PHE 163 CO 0.01 -2.02 1.00 -1.13 -0.10 0.00 0.00 175.22 172.99 3bdr n SER 164 N 2.46 2.01 -3.63 1.36 3.41 0.11 -4.51 113.62 114.82 3bdr n SER 164 Ca 0.06 -2.04 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 3bdr n SER 164 Cb 0.42 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3bdr n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bdr s ALA 166 N -1.08 -2.57 0.06 7.33 0.00 -0.76 -2.71 121.76 122.03 3bdr s ALA 166 Ca 0.01 2.05 0.01 0.00 0.00 0.00 0.00 51.96 54.03 3bdr s ALA 166 Cb 0.01 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3bdr s ALA 166 CO 0.00 -0.35 -0.05 -1.12 0.00 0.00 0.00 175.76 174.24 3bdr s SER 167 N 1.18 0.77 0.03 0.00 0.01 -0.65 0.16 113.70 115.19 3bdr s SER 167 Ca -0.08 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.37 3bdr s SER 167 Cb -0.03 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 3bdr s SER 167 CO -0.12 -0.42 -0.09 0.12 0.41 0.00 0.00 173.24 173.14 3bdr s PHE 168 N -2.91 0.78 -0.01 2.43 5.36 -0.16 -1.81 117.98 121.65 3bdr s PHE 168 Ca 0.02 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 3bdr s PHE 168 Cb 0.01 -0.47 0.02 0.00 -0.34 0.00 0.00 43.02 42.23 3bdr s PHE 168 CO -0.05 -0.03 0.01 0.00 -1.46 0.00 0.00 175.22 173.70 3bdr s SER 170 N 0.58 4.54 -0.20 0.00 0.01 -0.49 -2.16 113.70 115.98 3bdr s SER 170 Ca -0.05 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 56.94 3bdr s SER 170 Cb -0.07 -1.76 0.05 0.00 0.21 0.00 0.00 66.02 64.45 3bdr s SER 170 CO -0.02 0.07 -0.05 -1.61 0.41 0.00 0.00 173.24 172.05 3bdr s GLU 171 N 0.95 1.48 -0.16 12.44 2.02 0.13 -0.75 118.70 134.82 3bdr s GLU 171 Ca 0.00 -0.73 -0.06 0.00 0.02 0.00 0.00 54.97 54.20 3bdr s GLU 171 Cb -0.15 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 3bdr s GLU 171 CO 0.01 -0.52 0.05 -1.50 0.02 0.00 0.00 175.26 173.32 3bdr s ILE 172 N 1.54 4.74 0.29 -1.63 -1.16 -0.56 -0.85 121.20 123.57 3bdr s ILE 172 Ca -0.02 -0.06 -0.30 0.00 -0.51 0.00 0.00 60.65 59.76 3bdr s ILE 172 Cb -0.17 -3.10 -0.11 0.00 0.61 0.00 0.00 42.46 39.69 3bdr s ILE 172 CO -0.07 0.51 1.50 -0.60 -2.81 0.00 0.00 174.94 173.47 3bdr s ARG 173 N -0.03 4.20 0.00 3.50 3.52 -0.66 -0.85 118.95 128.61 3bdr s ARG 173 Ca 0.06 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 3bdr s ARG 173 Cb -0.12 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3bdr s ARG 173 CO 0.01 -0.50 0.00 1.28 -0.81 0.00 0.00 175.30 175.28 3bdr n LEU 174 N 1.95 0.77 0.00 -0.88 4.77 0.20 -4.87 117.00 118.95 3bdr n LEU 174 Ca 0.06 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3bdr n LEU 174 Cb 0.39 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3bdr n LEU 174 CO 0.62 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3bdr n GLY 175 N 2.09 0.42 3.70 -0.72 0.00 -1.26 -5.07 105.19 104.35 3bdr n GLY 175 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3bdr n GLY 175 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70