#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcm s PHE 2 N 0.00 3.61 -0.17 1.09 2.19 -1.26 -1.14 117.98 122.30 2bcm s PHE 2 Ca 0.00 1.06 0.01 0.00 0.33 0.00 0.00 56.93 58.32 2bcm s PHE 2 Cb 0.00 -2.57 0.01 0.00 -1.31 0.00 0.00 43.02 39.15 2bcm s PHE 2 CO 0.00 0.29 -0.17 -1.14 1.83 0.00 0.00 175.22 176.03 2bcm s GLN 3 N 0.12 3.10 0.13 10.12 2.00 0.21 -4.99 119.66 130.34 2bcm s GLN 3 Ca 0.29 -0.79 -0.31 0.00 -2.00 0.00 0.00 55.36 52.55 2bcm s GLN 3 Cb -0.17 -2.61 -0.08 0.00 0.80 0.00 0.00 33.01 30.96 2bcm s GLN 3 CO 0.14 -0.11 1.32 0.00 -0.50 0.00 0.00 175.29 176.14 2bcm s ALA 4 N 1.09 3.53 -0.30 1.58 0.00 -1.26 -1.18 121.76 125.22 2bcm s ALA 4 Ca -0.00 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 2bcm s ALA 4 Cb -0.14 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.67 2bcm s ALA 4 CO -0.06 -0.55 0.87 0.45 0.00 0.00 0.00 175.76 176.48 2bcm s SER 5 N 0.83 -0.87 0.00 0.00 0.15 -0.35 -4.91 113.70 108.55 2bcm s SER 5 Ca 0.61 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2bcm s SER 5 Cb -0.35 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 2bcm s SER 5 CO 0.33 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2bcm n GLY 6 N 5.31 0.86 3.82 9.45 0.00 -1.23 -3.16 105.19 120.24 2bcm n GLY 6 Ca 0.04 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 2bcm n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bcm s THR 7 N -2.41 2.41 -0.12 2.61 -4.23 -1.26 -4.67 115.64 107.96 2bcm s THR 7 Ca 0.00 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2bcm s THR 7 Cb 0.00 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 2bcm s THR 7 CO 0.00 0.00 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.10 2bcm s THR 8 N -2.56 3.45 -0.15 3.99 2.01 -1.26 -0.64 115.64 120.48 2bcm s THR 8 Ca 0.44 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2bcm s THR 8 Cb 0.00 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2bcm s THR 8 CO 0.25 0.54 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.80 2bcm s GLY 9 N 0.02 1.61 -0.08 4.40 0.00 0.10 -4.96 107.32 108.40 2bcm s GLY 9 Ca -0.02 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.67 2bcm s GLY 9 CO 0.03 -0.07 0.32 -1.50 0.00 0.00 0.00 173.10 171.88 2bcm s ILE 10 N 0.48 5.23 -0.11 0.90 2.07 -1.26 -1.62 121.20 126.89 2bcm s ILE 10 Ca -0.06 0.62 0.03 0.00 -1.41 0.00 0.00 60.65 59.83 2bcm s ILE 10 Cb -0.15 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.82 2bcm s ILE 10 CO 0.04 0.52 -0.23 -0.89 -1.91 0.00 0.00 174.94 172.47 2bcm s THR 11 N -0.50 2.00 -0.04 4.00 2.01 -0.08 -5.00 115.64 118.02 2bcm s THR 11 Ca 0.20 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.29 2bcm s THR 11 Cb -0.14 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2bcm s THR 11 CO 0.08 0.54 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.42 2bcm s THR 12 N 0.50 2.15 -0.05 -0.82 2.01 -1.26 -0.87 115.64 117.29 2bcm s THR 12 Ca -0.15 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.81 2bcm s THR 12 Cb -0.17 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.59 2bcm s THR 12 CO 0.06 0.58 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.29 2bcm s LEU 13 N -0.38 1.33 -0.31 4.42 2.96 -0.18 -4.13 118.68 122.39 2bcm s LEU 13 Ca 0.03 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 2bcm s LEU 13 Cb -0.12 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 2bcm s LEU 13 CO 0.02 -0.05 0.17 -0.89 -1.32 0.00 0.00 176.35 174.28 2bcm s THR 14 N 0.97 4.81 -0.02 3.68 2.01 -0.14 -0.55 115.64 126.39 2bcm s THR 14 Ca -0.10 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2bcm s THR 14 Cb -0.14 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2bcm s THR 14 CO 0.00 0.08 0.98 -0.69 -0.69 0.00 0.00 174.62 174.30 2bcm s VAL 15 N 1.65 4.86 0.38 3.82 1.01 -0.00 -1.57 120.40 130.55 2bcm s VAL 15 Ca 0.05 2.04 0.06 0.00 0.00 0.00 0.00 61.98 64.13 2bcm s VAL 15 Cb -0.17 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 2bcm s VAL 15 CO 0.08 0.13 0.02 0.42 0.00 0.00 0.00 175.10 175.75 2bcm s THR 16 N 1.20 1.79 1.04 3.92 -4.23 -0.22 -1.32 115.64 117.82 2bcm s THR 16 Ca 0.51 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.83 2bcm s THR 16 Cb -0.20 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2bcm s THR 16 CO 0.26 -0.01 1.30 -1.61 -0.54 0.00 0.00 174.62 174.01 2bcm s GLU 17 N -3.76 -0.02 0.16 3.99 0.41 -1.26 -1.44 118.70 116.78 2bcm s GLU 17 Ca 0.35 -0.44 -0.12 0.00 -0.41 0.00 0.00 54.97 54.35 2bcm s GLU 17 Cb 0.09 -1.77 0.05 0.00 -1.78 0.00 0.00 34.13 30.72 2bcm s GLU 17 CO 0.17 -2.86 1.68 1.49 -0.49 0.00 0.00 175.26 175.26 2bcm h GLU 18 N -1.96 0.86 -6.02 1.61 4.57 -1.98 -3.38 114.58 108.28 2bcm h GLU 18 Ca -0.44 -0.19 -0.57 0.00 -1.18 0.00 0.00 59.36 56.98 2bcm h GLU 18 Cb 1.23 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.64 2bcm h GLU 18 CO 0.32 0.79 0.40 0.00 -1.18 0.00 0.00 179.01 179.34 2bcm s ARG 20 N 2.00 0.51 -0.13 0.00 3.03 -1.26 -5.07 118.95 118.03 2bcm s ARG 20 Ca 0.40 -0.68 -0.00 0.00 2.03 0.00 0.00 55.73 57.48 2bcm s ARG 20 Cb -0.17 0.20 0.03 0.00 -1.03 0.00 0.00 34.95 33.97 2bcm s ARG 20 CO 0.14 -0.12 -0.08 0.08 -1.13 0.00 0.00 175.30 174.19 2bcm s VAL 21 N -2.18 1.14 -0.18 4.99 1.01 -1.26 -5.11 120.40 118.81 2bcm s VAL 21 Ca -0.09 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 2bcm s VAL 21 Cb -0.04 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2bcm s VAL 21 CO -0.03 0.34 0.46 -1.10 0.00 0.00 0.00 175.10 174.77 2bcm s GLN 22 N 1.66 4.23 -0.09 2.72 -0.21 -1.26 -5.07 119.66 121.64 2bcm s GLN 22 Ca 0.04 0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.80 2bcm s GLN 22 Cb -0.13 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.37 2bcm s GLN 22 CO -0.09 -0.01 -0.20 0.08 -2.12 0.00 0.00 175.29 172.95 2bcm s VAL 23 N 1.20 1.73 0.00 1.09 1.01 -1.26 -5.05 120.40 119.13 2bcm s VAL 23 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2bcm s VAL 23 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2bcm s VAL 23 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2bcm n GLY 24 N 3.66 1.95 3.69 4.51 0.00 -1.26 -4.81 105.19 112.94 2bcm n GLY 24 Ca -0.20 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 2bcm n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bcm n ASN 25 N 3.69 3.41 -4.68 1.61 3.02 -1.26 -4.93 115.26 116.13 2bcm n ASN 25 Ca 0.00 1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 55.21 2bcm n ASN 25 Cb 0.00 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 37.66 2bcm n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bcm s VAL 26 N 0.93 3.73 0.21 2.41 1.01 -1.26 -5.02 120.40 122.40 2bcm s VAL 26 Ca 0.77 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.82 2bcm s VAL 26 Cb -0.61 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2bcm s VAL 26 CO 0.37 -0.03 0.04 0.42 0.00 0.00 0.00 175.10 175.89 2bcm s THR 27 N 2.83 0.65 0.18 3.92 -4.23 -1.26 -5.13 115.64 112.60 2bcm s THR 27 Ca 0.65 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 2bcm s THR 27 Cb -0.31 -2.32 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 2bcm s THR 27 CO 0.26 -0.29 1.21 0.00 -0.54 0.00 0.00 174.62 175.25 2bcm s ALA 28 N -3.68 3.45 0.10 3.99 0.00 -1.26 -4.94 121.76 119.42 2bcm s ALA 28 Ca 0.29 0.96 0.09 0.00 0.00 0.00 0.00 51.96 53.30 2bcm s ALA 28 Cb 0.07 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2bcm s ALA 28 CO 0.08 -0.40 -0.22 0.95 0.00 0.00 0.00 175.76 176.17 2bcm s THR 29 N 0.04 1.83 -0.03 0.00 -4.23 -1.26 -0.97 115.64 111.02 2bcm s THR 29 Ca 0.54 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 2bcm s THR 29 Cb -0.33 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 71.89 2bcm s THR 29 CO 0.36 0.02 0.07 -0.76 -0.54 0.00 0.00 174.62 173.77 2bcm s LEU 30 N -1.83 1.39 0.67 4.79 1.43 -0.61 -4.93 118.68 119.58 2bcm s LEU 30 Ca 0.08 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 2bcm s LEU 30 Cb -0.10 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.31 2bcm s LEU 30 CO 0.04 -0.07 1.15 0.00 0.23 0.00 0.00 176.35 177.70 2bcm s ALA 31 N 0.51 2.37 0.26 4.21 0.00 -1.26 -1.06 121.76 126.79 2bcm s ALA 31 Ca -0.04 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2bcm s ALA 31 Cb -0.06 -3.39 0.53 0.00 0.00 0.00 0.00 23.12 20.21 2bcm s ALA 31 CO -0.02 -1.43 1.72 0.00 0.00 0.00 0.00 175.76 176.03 2bcm h ARG 32 N 0.11 0.41 0.00 0.00 3.08 -1.55 0.18 114.38 116.60 2bcm h ARG 32 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2bcm h ARG 32 Cb 1.27 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2bcm h ARG 32 CO 0.53 0.27 0.00 -1.13 -1.07 0.00 0.00 179.97 178.57 2bcm n SER 33 N -5.03 0.37 -1.06 7.04 3.41 -1.26 -2.16 113.62 114.93 2bcm n SER 33 Ca 0.16 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2bcm n SER 33 Cb 0.48 -0.68 0.24 0.00 -0.26 0.00 0.00 64.21 63.99 2bcm n SER 33 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bcm n LYS 34 N -1.92 2.39 -1.48 4.33 4.76 0.62 -4.64 118.16 122.21 2bcm n LYS 34 Ca 0.02 -2.10 -0.39 0.00 -2.87 0.00 0.00 58.31 52.98 2bcm n LYS 34 Cb 0.16 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 2bcm n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2bcm n LEU 35 N 1.31 8.52 -4.89 -0.35 4.77 -0.92 -4.88 117.00 120.56 2bcm n LEU 35 Ca 0.19 -4.48 -0.30 0.00 -0.03 0.00 0.00 56.01 51.38 2bcm n LEU 35 Cb 0.56 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 2bcm n LEU 35 CO 0.15 2.07 0.18 -0.54 -1.33 0.00 0.00 177.39 177.92 2bcm s LYS 36 N 1.25 3.69 0.12 3.23 1.02 -1.26 -0.70 119.74 127.10 2bcm s LYS 36 Ca 0.66 0.09 -0.35 0.00 0.02 0.00 0.00 55.97 56.39 2bcm s LYS 36 Cb 0.19 -2.68 -0.16 0.00 -0.52 0.00 0.00 37.83 34.65 2bcm s LYS 36 CO -0.07 0.30 1.22 -3.47 -0.92 0.00 0.00 175.35 172.41 2bcm n ASP 37 N -0.45 1.33 0.00 2.83 2.03 -1.25 -1.56 116.55 119.48 2bcm n ASP 37 Ca -0.01 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2bcm n ASP 37 Cb 0.53 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 2bcm n ASP 37 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2bcm n ASP 38 N 2.21 -1.58 -4.72 1.67 8.00 0.12 -4.94 116.55 117.31 2bcm n ASP 38 Ca 0.17 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 2bcm n ASP 38 Cb 0.21 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2bcm n ASP 38 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bcm s THR 39 N -2.85 2.73 0.21 -3.53 2.01 -0.60 -4.71 115.64 108.90 2bcm s THR 39 Ca 0.00 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 2bcm s THR 39 Cb 0.00 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 2bcm s THR 39 CO 0.00 0.05 1.20 0.00 -0.69 0.00 0.00 174.62 175.18 2bcm s ALA 40 N 0.95 3.45 -0.15 7.40 0.00 -1.26 -0.78 121.76 131.37 2bcm s ALA 40 Ca 0.67 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 53.54 2bcm s ALA 40 Cb -0.42 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.22 2bcm s ALA 40 CO 0.33 -0.38 -0.20 -0.89 0.00 0.00 0.00 175.76 174.62 2bcm n ILE 41 N 2.22 0.88 -3.86 0.00 5.41 -0.19 -4.90 119.36 118.92 2bcm n ILE 41 Ca 0.03 -0.18 -0.02 0.00 1.00 0.00 0.00 62.75 63.58 2bcm n ILE 41 Cb 0.44 -1.73 0.01 0.00 -0.71 0.00 0.00 39.64 37.65 2bcm n ILE 41 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2bcm s GLY 42 N -5.23 -0.01 0.07 7.39 0.00 -1.05 -4.90 107.32 103.59 2bcm s GLY 42 Ca -0.21 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.42 2bcm s GLY 42 CO 0.27 2.49 -0.12 0.14 0.00 0.00 0.00 173.10 175.88 2bcm s VAL 43 N -2.30 0.96 -0.02 1.40 1.01 -1.26 -1.02 120.40 119.17 2bcm s VAL 43 Ca 0.21 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2bcm s VAL 43 Cb -0.01 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2bcm s VAL 43 CO 0.03 -0.33 -0.06 -0.51 0.00 0.00 0.00 175.10 174.23 2bcm s ILE 44 N -1.55 0.56 0.29 2.22 2.07 -0.16 -4.96 121.20 119.67 2bcm s ILE 44 Ca -0.02 -0.23 -0.29 0.00 -1.41 0.00 0.00 60.65 58.70 2bcm s ILE 44 Cb -0.08 -0.52 -0.09 0.00 0.13 0.00 0.00 42.46 41.89 2bcm s ILE 44 CO 0.01 0.19 1.07 -0.83 -1.91 0.00 0.00 174.94 173.47 2bcm s GLY 45 N 0.30 3.02 -0.07 1.50 0.00 -1.26 -0.87 107.32 109.94 2bcm s GLY 45 Ca -0.04 0.82 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 2bcm s GLY 45 CO 0.00 1.39 0.13 0.14 0.00 0.00 0.00 173.10 174.76 2bcm s VAL 46 N -1.25 -0.18 -0.08 1.40 1.01 -0.47 -4.93 120.40 115.89 2bcm s VAL 46 Ca 0.46 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 2bcm s VAL 46 Cb -0.29 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2bcm s VAL 46 CO 0.37 0.14 -0.03 -0.89 0.00 0.00 0.00 175.10 174.70 2bcm s THR 47 N 2.00 0.57 -0.17 3.92 2.01 -1.26 -1.05 115.64 121.65 2bcm s THR 47 Ca 0.00 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 2bcm s THR 47 Cb -0.12 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 2bcm s THR 47 CO -0.05 0.28 -0.01 0.00 -0.69 0.00 0.00 174.62 174.15 2bcm s ALA 48 N 1.73 3.08 0.04 7.40 0.00 0.75 -5.01 121.76 129.76 2bcm s ALA 48 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2bcm s ALA 48 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 2bcm s ALA 48 CO -0.05 0.14 -0.09 -0.51 0.00 0.00 0.00 175.76 175.25 2bcm s LEU 49 N 0.49 2.23 -1.25 0.00 1.43 -1.26 -2.72 118.68 117.60 2bcm s LEU 49 Ca -0.02 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2bcm s LEU 49 Cb -0.14 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.84 2bcm s LEU 49 CO 0.02 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2bcm n GLY 50 N 1.63 0.78 1.34 -3.19 0.00 -1.26 -4.93 105.19 99.56 2bcm n GLY 50 Ca -0.21 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 2bcm n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bcm n ASN 52 N -0.84 2.76 0.00 0.00 5.03 -1.26 -1.12 115.26 119.83 2bcm n ASN 52 Ca 0.35 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.87 2bcm n ASN 52 Cb 1.13 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.55 2bcm n ASN 52 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bcm n GLY 53 N 3.44 0.98 3.26 7.41 0.00 -1.26 -4.90 105.19 114.12 2bcm n GLY 53 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 2bcm n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bcm s LEU 54 N 0.00 2.36 -0.19 0.99 1.43 -0.28 -4.90 118.68 118.09 2bcm s LEU 54 Ca 0.00 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 2bcm s LEU 54 Cb 0.00 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 2bcm s LEU 54 CO 0.00 -0.06 0.40 -1.10 0.23 0.00 0.00 176.35 175.82 2bcm s GLN 55 N -2.30 4.20 0.50 1.70 -0.21 -1.24 -0.56 119.66 121.74 2bcm s GLN 55 Ca 0.07 0.22 -0.23 0.00 0.02 0.00 0.00 55.36 55.45 2bcm s GLN 55 Cb -0.07 -3.52 -0.06 0.00 1.00 0.00 0.00 33.01 30.36 2bcm s GLN 55 CO 0.04 0.00 1.29 0.00 -2.12 0.00 0.00 175.29 174.50 2bcm s ALA 56 N 1.17 2.93 0.01 6.09 0.00 -1.26 -0.76 121.76 129.94 2bcm s ALA 56 Ca 0.20 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 2bcm s ALA 56 Cb -0.15 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.51 2bcm s ALA 56 CO 0.08 -1.06 0.35 0.00 0.00 0.00 0.00 175.76 175.13 2bcm s ALA 57 N -1.38 -0.88 -0.01 0.00 0.00 -0.40 -1.01 121.76 118.08 2bcm s ALA 57 Ca 0.67 0.33 0.08 0.00 0.00 0.00 0.00 51.96 53.03 2bcm s ALA 57 Cb -0.36 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2bcm s ALA 57 CO 0.43 -0.34 -0.25 -0.51 0.00 0.00 0.00 175.76 175.10 2bcm s LEU 58 N -1.61 2.14 -0.13 0.00 1.43 0.33 -1.39 118.68 119.45 2bcm s LEU 58 Ca -0.10 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2bcm s LEU 58 Cb -0.03 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2bcm s LEU 58 CO 0.02 0.31 -0.21 -1.58 0.23 0.00 0.00 176.35 175.12 2bcm s GLN 59 N -0.71 3.06 0.46 1.70 0.74 0.02 -0.90 119.66 124.01 2bcm s GLN 59 Ca 0.10 -0.84 -0.21 0.00 0.05 0.00 0.00 55.36 54.46 2bcm s GLN 59 Cb -0.10 -2.44 -0.09 0.00 1.10 0.00 0.00 33.01 31.48 2bcm s GLN 59 CO -0.00 0.03 1.04 0.00 -0.55 0.00 0.00 175.29 175.80 2bcm s ALA 60 N 0.72 2.94 0.67 1.58 0.00 0.32 -0.92 121.76 127.07 2bcm s ALA 60 Ca -0.09 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 2bcm s ALA 60 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2bcm s ALA 60 CO 0.00 -0.26 1.10 -0.25 0.00 0.00 0.00 175.76 176.35 2bcm n ASP 61 N -0.69 1.15 -0.23 0.00 9.92 -1.00 -4.87 116.55 120.83 2bcm n ASP 61 Ca 0.08 0.75 0.17 0.00 -0.53 0.00 0.00 54.79 55.26 2bcm n ASP 61 Cb 0.52 -1.46 0.48 0.00 -0.64 0.00 0.00 41.12 40.02 2bcm n ASP 61 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2bcm h PRO 62 N 0.15 0.45 0.00 -0.24 0.11 -1.95 0.18 132.00 130.71 2bcm h PRO 62 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bcm h PRO 62 Cb 1.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bcm h PRO 62 CO 0.50 0.30 0.00 -3.47 -0.21 0.00 0.00 178.00 175.12 2bcm n ASP 63 N -4.51 0.00 -0.30 -2.05 2.03 -1.26 -3.47 116.55 106.99 2bcm n ASP 63 Ca 0.18 0.23 0.03 0.00 0.52 0.00 0.00 54.79 55.75 2bcm n ASP 63 Cb 0.61 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.73 2bcm n ASP 63 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2bcm n ASN 64 N -1.34 2.12 -3.52 1.67 5.03 0.65 -4.75 115.26 115.11 2bcm n ASN 64 Ca 0.04 -1.72 -0.11 0.00 0.87 0.00 0.00 54.58 53.66 2bcm n ASN 64 Cb 0.09 -0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 2bcm n ASN 64 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2bcm s TYR 65 N -0.81 -0.42 0.00 3.10 1.13 -1.23 -0.92 117.35 118.20 2bcm s TYR 65 Ca 0.10 0.16 0.00 0.00 -1.41 0.00 0.00 57.07 55.92 2bcm s TYR 65 Cb 0.06 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.43 2bcm s TYR 65 CO 0.08 -0.87 0.00 -0.40 -2.51 0.00 0.00 175.55 171.85 2bcm n ASP 66 N -0.36 0.47 0.30 -0.18 5.68 -0.50 -4.96 116.55 116.99 2bcm n ASP 66 Ca -0.15 -0.81 0.16 0.00 -0.50 0.00 0.00 54.79 53.49 2bcm n ASP 66 Cb 0.64 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.55 2bcm n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bcm h ALA 67 N 1.00 1.43 0.00 2.12 0.00 -2.02 -3.29 119.26 118.49 2bcm h ALA 67 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2bcm h ALA 67 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2bcm h ALA 67 CO 0.00 0.02 -1.66 2.41 0.00 0.00 0.00 179.25 180.01 2bcm n THR 68 N -3.72 0.67 -4.16 0.00 -1.04 -1.26 -4.59 114.28 100.17 2bcm n THR 68 Ca -0.03 -0.40 -0.16 0.00 -2.04 0.00 0.00 64.05 61.43 2bcm n THR 68 Cb 0.10 -0.76 -0.12 0.00 -1.82 0.00 0.00 70.33 67.72 2bcm n THR 68 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2bcm s ASN 69 N -4.28 1.08 -0.12 8.00 -0.87 -1.24 -5.04 114.94 112.48 2bcm s ASN 69 Ca -0.06 -0.45 -0.12 0.00 -1.57 0.00 0.00 52.86 50.67 2bcm s ASN 69 Cb 0.03 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.25 41.19 2bcm s ASN 69 CO 0.38 -0.09 0.26 -0.22 -2.57 0.00 0.00 177.10 174.87 2bcm s LEU 70 N -1.22 4.34 -0.05 0.60 2.96 -1.26 -1.41 118.68 122.63 2bcm s LEU 70 Ca -0.04 0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 54.34 2bcm s LEU 70 Cb -0.08 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.32 2bcm s LEU 70 CO 0.01 0.25 0.24 -0.72 -1.32 0.00 0.00 176.35 174.81 2bcm s TYR 71 N -0.33 -0.18 0.46 5.38 1.13 -0.10 -1.06 117.35 122.66 2bcm s TYR 71 Ca 0.17 0.38 -0.21 0.00 -1.41 0.00 0.00 57.07 56.00 2bcm s TYR 71 Cb -0.13 0.06 -0.09 0.00 -1.10 0.00 0.00 41.96 40.70 2bcm s TYR 71 CO 0.05 -0.24 1.02 -1.64 -2.51 0.00 0.00 175.55 172.23 2bcm s MET 72 N -0.63 3.95 -0.02 -3.49 -1.94 -0.05 -4.48 119.30 112.63 2bcm s MET 72 Ca -0.07 1.34 0.04 0.00 -1.71 0.00 0.00 55.69 55.28 2bcm s MET 72 Cb -0.04 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.60 2bcm s MET 72 CO 0.02 -0.30 -0.13 0.99 -0.01 0.00 0.00 175.02 175.58 2bcm s THR 73 N -1.96 1.06 0.56 2.05 2.01 -0.42 -0.35 115.64 118.58 2bcm s THR 73 Ca 0.65 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 2bcm s THR 73 Cb -0.16 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.49 2bcm s THR 73 CO 0.20 0.31 0.80 -0.94 -0.69 0.00 0.00 174.62 174.29 2bcm s SER 74 N -0.16 5.28 0.54 3.53 1.04 -0.23 -0.88 113.70 122.82 2bcm s SER 74 Ca 0.02 0.10 0.33 0.00 0.48 0.00 0.00 55.95 56.88 2bcm s SER 74 Cb -0.07 -1.00 1.31 0.00 0.10 0.00 0.00 66.02 66.37 2bcm s SER 74 CO 0.00 -1.16 1.96 0.08 0.98 0.00 0.00 173.24 175.11 2bcm h ARG 75 N 0.00 0.00 -0.43 4.02 0.11 -1.91 -0.27 114.38 115.91 2bcm h ARG 75 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2bcm h ARG 75 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2bcm h ARG 75 CO 0.54 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.71 2bcm n ASN 76 N -3.11 1.66 -1.40 0.08 3.02 -1.26 -4.92 115.26 109.32 2bcm n ASN 76 Ca 0.01 -2.09 -0.16 0.00 -0.03 0.00 0.00 54.58 52.31 2bcm n ASN 76 Cb 0.32 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 2bcm n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2bcm n HIS 77 N 0.21 -0.24 -2.41 3.10 8.25 -0.11 -5.01 115.22 119.01 2bcm n HIS 77 Ca 0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.18 2bcm n HIS 77 Cb 0.31 -2.92 -0.02 0.00 1.12 0.00 0.00 29.99 28.47 2bcm n HIS 77 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bcm s ASP 79 N -2.66 6.40 -0.11 0.41 1.11 -1.26 -4.79 116.67 115.78 2bcm s ASP 79 Ca 0.00 2.14 0.03 0.00 0.18 0.00 0.00 52.55 54.90 2bcm s ASP 79 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2bcm s ASP 79 CO 0.00 -0.74 -0.23 -0.54 1.18 0.00 0.00 175.17 174.84 2bcm s LYS 80 N -2.73 2.94 -0.31 8.23 1.02 -1.26 -1.07 119.74 126.57 2bcm s LYS 80 Ca 0.62 -0.84 -0.03 0.00 0.02 0.00 0.00 55.97 55.74 2bcm s LYS 80 Cb -0.24 -2.27 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2bcm s LYS 80 CO 0.29 0.11 0.03 -1.17 -0.92 0.00 0.00 175.35 173.70 2bcm s LEU 81 N 0.50 3.99 0.19 3.17 2.96 0.52 -4.96 118.68 125.06 2bcm s LEU 81 Ca -0.15 -1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 52.25 2bcm s LEU 81 Cb -0.17 -1.76 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 2bcm s LEU 81 CO 0.05 -0.27 1.35 0.20 -1.32 0.00 0.00 176.35 176.36 2bcm s ASN 82 N 1.31 6.84 0.27 3.68 0.01 -1.26 -0.87 114.94 124.92 2bcm s ASN 82 Ca -0.04 2.44 0.02 0.00 -0.71 0.00 0.00 52.86 54.57 2bcm s ASN 82 Cb -0.19 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 2bcm s ASN 82 CO 0.00 -0.58 0.14 0.68 -1.51 0.00 0.00 177.10 175.83 2bcm s VAL 83 N 0.27 0.31 0.04 1.60 -7.23 -0.22 -1.12 120.40 114.05 2bcm s VAL 83 Ca 0.59 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.68 2bcm s VAL 83 Cb -0.38 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 2bcm s VAL 83 CO 0.38 0.00 0.15 -1.59 -0.31 0.00 0.00 175.10 173.72 2bcm s LYS 84 N -3.93 0.64 -0.03 4.82 -2.85 -0.34 -4.32 119.74 113.73 2bcm s LYS 84 Ca 0.37 -0.67 0.05 0.00 -1.00 0.00 0.00 55.97 54.72 2bcm s LYS 84 Cb 0.06 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2bcm s LYS 84 CO 0.16 -0.17 -0.17 -0.51 0.10 0.00 0.00 175.35 174.76 2bcm s LEU 85 N -2.07 2.60 -0.19 2.77 1.43 -1.26 -1.62 118.68 120.35 2bcm s LEU 85 Ca -0.05 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2bcm s LEU 85 Cb -0.01 -1.52 0.07 0.00 0.03 0.00 0.00 46.19 44.76 2bcm s LEU 85 CO -0.04 0.32 0.43 -0.75 0.23 0.00 0.00 176.35 176.54 2bcm s LYS 86 N -0.86 0.38 0.30 1.70 2.20 -0.60 -4.98 119.74 117.87 2bcm s LYS 86 Ca 0.12 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.36 2bcm s LYS 86 Cb -0.10 0.15 -0.11 0.00 -1.51 0.00 0.00 37.83 36.25 2bcm s LYS 86 CO 0.01 -0.20 1.58 0.00 -0.36 0.00 0.00 175.35 176.38 2bcm s ALA 87 N 1.97 3.73 -0.63 3.13 0.00 -1.26 -0.38 121.76 128.31 2bcm s ALA 87 Ca -0.06 1.56 0.25 0.00 0.00 0.00 0.00 51.96 53.71 2bcm s ALA 87 Cb -0.10 -3.64 0.90 0.00 0.00 0.00 0.00 23.12 20.28 2bcm s ALA 87 CO -0.13 -0.98 1.74 0.25 0.00 0.00 0.00 175.76 176.64 2bcm n THR 88 N 2.08 0.69 0.44 0.00 -2.24 -0.34 -3.03 114.28 111.88 2bcm n THR 88 Ca 0.08 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 2bcm n THR 88 Cb 0.38 -0.87 0.27 0.00 -2.10 0.00 0.00 70.33 68.01 2bcm n THR 88 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bcm n ASP 89 N -2.19 2.90 0.00 3.42 3.85 -1.26 -4.94 116.55 118.32 2bcm n ASP 89 Ca 0.04 -1.94 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 2bcm n ASP 89 Cb 0.32 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 2bcm n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bcm n GLY 90 N 1.38 1.30 3.72 6.12 0.00 -1.17 -5.02 105.19 111.53 2bcm n GLY 90 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2bcm n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bcm s SER 91 N -3.16 4.08 -0.19 1.61 1.04 -1.26 -4.97 113.70 110.85 2bcm s SER 91 Ca 0.00 2.20 -0.17 0.00 0.48 0.00 0.00 55.95 58.46 2bcm s SER 91 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2bcm s SER 91 CO 0.00 -2.33 0.43 -0.55 0.98 0.00 0.00 173.24 171.77 2bcm s SER 92 N -2.43 6.50 0.08 7.02 0.15 -1.26 -4.65 113.70 119.10 2bcm s SER 92 Ca 0.70 0.59 0.01 0.00 0.70 0.00 0.00 55.95 57.95 2bcm s SER 92 Cb -0.25 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2bcm s SER 92 CO 0.49 -0.08 -0.05 0.26 1.20 0.00 0.00 173.24 175.06 2bcm s TRP 93 N 1.23 0.73 -0.05 3.44 0.52 -1.26 -1.24 118.94 122.31 2bcm s TRP 93 Ca 0.21 -0.91 0.06 0.00 0.02 0.00 0.00 56.10 55.48 2bcm s TRP 93 Cb -0.15 -0.45 -0.01 0.00 -1.15 0.00 0.00 33.47 31.70 2bcm s TRP 93 CO 0.08 -0.21 -0.24 0.99 0.02 0.00 0.00 176.95 177.59 2bcm s THR 94 N -3.42 2.18 -0.13 2.01 2.01 0.18 -4.90 115.64 113.58 2bcm s THR 94 Ca 0.07 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 2bcm s THR 94 Cb 0.04 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2bcm s THR 94 CO -0.06 0.57 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.93 2bcm s TYR 95 N -0.27 3.00 -0.28 4.92 6.14 -1.26 -1.05 117.35 128.55 2bcm s TYR 95 Ca -0.00 -0.23 -0.23 0.00 0.64 0.00 0.00 57.07 57.25 2bcm s TYR 95 Cb -0.13 -1.89 0.12 0.00 0.42 0.00 0.00 41.96 40.48 2bcm s TYR 95 CO 0.03 0.06 0.99 0.20 0.64 0.00 0.00 175.55 177.46 2bcm s GLY 96 N 0.05 -0.18 -1.36 8.97 0.00 -0.25 -5.01 107.32 109.55 2bcm s GLY 96 Ca -0.00 2.69 -0.07 0.00 0.00 0.00 0.00 44.72 47.34 2bcm s GLY 96 CO 0.03 1.96 0.45 0.70 0.00 0.00 0.00 173.10 176.23 2bcm n ASN 97 N 2.54 -1.33 0.00 1.64 4.13 -1.26 -1.53 115.26 119.45 2bcm n ASN 97 Ca -0.14 -1.07 0.00 0.00 1.68 0.00 0.00 54.58 55.05 2bcm n ASN 97 Cb 0.56 -2.79 0.00 0.00 -1.54 0.00 0.00 39.78 36.01 2bcm n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bcm n GLY 98 N -2.03 1.15 3.30 7.41 0.00 -1.26 -5.00 105.19 108.77 2bcm n GLY 98 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2bcm n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bcm s VAL 99 N -3.61 2.42 -0.27 1.61 1.01 -0.58 -0.52 120.40 120.46 2bcm s VAL 99 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2bcm s VAL 99 Cb 0.00 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2bcm s VAL 99 CO 0.00 0.56 -0.07 0.12 0.00 0.00 0.00 175.10 175.71 2bcm s PHE 100 N 0.10 3.20 0.04 5.22 2.19 -0.08 -1.09 117.98 127.56 2bcm s PHE 100 Ca -0.10 -1.99 0.04 0.00 0.33 0.00 0.00 56.93 55.22 2bcm s PHE 100 Cb -0.16 -2.02 -0.02 0.00 -1.31 0.00 0.00 43.02 39.52 2bcm s PHE 100 CO 0.06 -0.82 -0.13 1.52 1.83 0.00 0.00 175.22 177.67 2bcm s TYR 101 N 1.21 1.13 0.12 10.12 1.13 -0.21 -0.51 117.35 130.33 2bcm s TYR 101 Ca -0.05 -0.38 -0.28 0.00 -1.41 0.00 0.00 57.07 54.95 2bcm s TYR 101 Cb -0.19 -0.67 -0.07 0.00 -1.10 0.00 0.00 41.96 39.94 2bcm s TYR 101 CO -0.04 0.03 0.87 0.21 -2.51 0.00 0.00 175.55 174.10 2bcm s LYS 102 N -1.26 4.64 0.05 -3.49 2.20 -0.18 -0.64 119.74 121.06 2bcm s LYS 102 Ca -0.00 1.29 -0.23 0.00 -0.36 0.00 0.00 55.97 56.67 2bcm s LYS 102 Cb -0.08 -3.34 -0.15 0.00 -1.51 0.00 0.00 37.83 32.75 2bcm s LYS 102 CO 0.01 0.34 1.51 1.15 -0.36 0.00 0.00 175.35 178.01 2bcm h THR 103 N 3.81 1.21 -3.36 3.43 2.02 -1.52 -3.42 112.91 115.08 2bcm h THR 103 Ca -0.44 -0.66 -0.57 0.00 0.77 0.00 0.00 66.41 65.51 2bcm h THR 103 Cb 1.21 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 69.05 2bcm h THR 103 CO 0.70 0.19 0.13 -1.61 0.37 0.00 0.00 175.52 175.30 2bcm s GLU 104 N -5.17 4.35 1.05 6.66 2.02 -1.26 -5.01 118.70 121.34 2bcm s GLU 104 Ca -0.14 0.81 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 2bcm s GLU 104 Cb 0.05 -3.50 0.21 0.00 0.10 0.00 0.00 34.13 30.99 2bcm s GLU 104 CO 0.69 -0.07 1.09 0.20 0.02 0.00 0.00 175.26 177.19 2bcm s GLY 105 N 0.95 1.56 0.00 -1.39 0.00 -1.26 -4.70 107.32 102.47 2bcm s GLY 105 Ca 0.35 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2bcm s GLY 105 CO 0.15 0.21 0.00 0.61 0.00 0.00 0.00 173.10 174.07 2bcm n GLY 106 N -0.93 0.98 3.78 0.20 0.00 0.28 -4.89 105.19 104.60 2bcm n GLY 106 Ca 0.06 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 2bcm n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcm s ASN 107 N 0.00 5.63 -0.23 1.61 0.01 -1.26 -4.55 114.94 116.15 2bcm s ASN 107 Ca 0.00 2.06 -0.27 0.00 -0.71 0.00 0.00 52.86 53.94 2bcm s ASN 107 Cb 0.00 -2.56 0.10 0.00 0.41 0.00 0.00 41.25 39.20 2bcm s ASN 107 CO 0.00 -1.28 0.91 0.86 -1.51 0.00 0.00 177.10 176.08 2bcm s TRP 108 N -2.03 -0.55 -0.05 2.20 -0.00 -1.10 -5.00 118.94 112.40 2bcm s TRP 108 Ca 0.69 1.24 0.02 0.00 -0.00 0.00 0.00 56.10 58.05 2bcm s TRP 108 Cb -0.21 0.36 0.01 0.00 -0.00 0.00 0.00 33.47 33.63 2bcm s TRP 108 CO 0.31 -0.34 -0.10 0.20 -0.00 0.00 0.00 176.95 177.03 2bcm s GLY 109 N -0.17 0.66 0.00 5.86 0.00 -1.26 -0.18 107.32 112.23 2bcm s GLY 109 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2bcm s GLY 109 CO -0.01 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.85 2bcm n GLY 110 N 3.76 1.54 2.98 0.20 0.00 -0.21 -5.02 105.19 108.44 2bcm n GLY 110 Ca -0.23 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 2bcm n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bcm s HIS 111 N -1.23 0.34 -0.17 1.61 3.76 -1.26 -1.37 115.29 116.96 2bcm s HIS 111 Ca 0.00 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2bcm s HIS 111 Cb 0.00 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.47 2bcm s HIS 111 CO 0.00 -0.12 -0.15 0.08 -0.85 0.00 0.00 174.74 173.70 2bcm s VAL 112 N -1.08 2.60 0.22 -0.90 1.01 -0.05 -1.20 120.40 121.00 2bcm s VAL 112 Ca -0.10 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2bcm s VAL 112 Cb -0.08 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 2bcm s VAL 112 CO -0.00 0.51 0.79 -0.83 0.00 0.00 0.00 175.10 175.57 2bcm s GLY 113 N 1.03 2.77 -0.15 4.51 0.00 0.48 -0.99 107.32 114.97 2bcm s GLY 113 Ca -0.01 0.32 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 2bcm s GLY 113 CO -0.04 0.75 -0.14 -0.42 0.00 0.00 0.00 173.10 173.26 2bcm s ILE 114 N -1.40 2.83 0.09 0.90 1.01 -0.19 -1.55 121.20 122.89 2bcm s ILE 114 Ca 0.42 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2bcm s ILE 114 Cb -0.20 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2bcm s ILE 114 CO 0.24 0.51 -0.06 -0.94 0.00 0.00 0.00 174.94 174.69 2bcm s SER 115 N 0.74 0.98 0.19 3.58 1.04 -0.64 -1.02 113.70 118.57 2bcm s SER 115 Ca -0.06 -1.01 -0.31 0.00 0.48 0.00 0.00 55.95 55.05 2bcm s SER 115 Cb -0.15 0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.98 2bcm s SER 115 CO 0.01 -0.50 1.59 -0.69 0.98 0.00 0.00 173.24 174.63 2bcm s VAL 116 N -3.70 2.47 -0.55 5.02 1.01 0.04 -1.20 120.40 123.50 2bcm s VAL 116 Ca 0.11 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 2bcm s VAL 116 Cb 0.06 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.36 2bcm s VAL 116 CO -0.06 0.03 0.39 -0.62 0.00 0.00 0.00 175.10 174.85 2bcm s ASP 117 N 1.06 5.54 0.00 3.32 2.15 -0.27 -0.70 116.67 127.77 2bcm s ASP 117 Ca 0.70 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 51.30 2bcm s ASP 117 Cb -0.45 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2bcm s ASP 117 CO 0.33 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 2bcm n GLY 118 N 4.20 0.03 3.69 2.66 0.00 -1.26 -4.60 105.19 109.90 2bcm n GLY 118 Ca 0.02 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2bcm n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcm s ASN 119 N -1.11 6.50 -0.30 1.61 0.01 -1.26 -3.97 114.94 116.41 2bcm s ASN 119 Ca 0.00 2.64 0.19 0.00 -0.71 0.00 0.00 52.86 54.98 2bcm s ASN 119 Cb 0.00 -2.56 0.48 0.00 0.41 0.00 0.00 41.25 39.58 2bcm s ASN 119 CO 0.00 -0.97 1.01 0.00 -1.51 0.00 0.00 177.10 175.64 2bcm n GLN 120 N 5.87 1.40 0.00 -0.60 6.02 0.12 -4.92 117.38 125.27 2bcm n GLN 120 Ca 0.17 -3.37 0.12 0.00 -0.01 0.00 0.00 57.00 53.91 2bcm n GLN 120 Cb 0.39 -1.40 0.63 0.00 1.02 0.00 0.00 30.24 30.89 2bcm n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bcm n THR 121 N -0.26 0.19 1.33 5.09 -2.24 -1.24 -2.52 114.28 114.63 2bcm n THR 121 Ca 0.09 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 2bcm n THR 121 Cb 0.81 -0.66 0.38 0.00 -2.10 0.00 0.00 70.33 68.76 2bcm n THR 121 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bcm n ASP 122 N -1.21 2.00 -4.77 3.42 8.00 -1.26 -4.49 116.55 118.24 2bcm n ASP 122 Ca 0.13 -1.67 -0.38 0.00 0.71 0.00 0.00 54.79 53.58 2bcm n ASP 122 Cb 0.16 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2bcm n ASP 122 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2bcm s LYS 123 N -2.00 3.77 0.73 -1.24 -0.14 -1.05 -5.00 119.74 114.81 2bcm s LYS 123 Ca 0.35 1.97 -0.11 0.00 -1.36 0.00 0.00 55.97 56.82 2bcm s LYS 123 Cb 0.21 -2.54 0.03 0.00 -1.68 0.00 0.00 37.83 33.85 2bcm s LYS 123 CO 0.32 -0.60 1.07 -1.25 -0.76 0.00 0.00 175.35 174.14 2bcm s PRO 124 N -2.52 2.63 0.76 -1.68 0.04 -1.26 -4.87 135.00 128.09 2bcm s PRO 124 Ca 0.62 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 2bcm s PRO 124 Cb -0.34 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.29 2bcm s PRO 124 CO 0.42 -1.30 1.11 0.95 0.04 0.00 0.00 177.00 178.22 2bcm s THR 125 N -3.06 3.12 -3.26 1.26 -4.23 -1.26 -4.83 115.64 103.38 2bcm s THR 125 Ca 0.59 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2bcm s THR 125 Cb -0.14 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2bcm s THR 125 CO 0.55 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2bcm n GLY 126 N -0.80 0.89 3.60 3.99 0.00 -0.43 -4.93 105.19 107.51 2bcm n GLY 126 Ca 0.10 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 2bcm n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bcm s GLU 127 N -1.11 4.00 -0.06 1.61 2.12 -1.26 -0.82 118.70 123.17 2bcm s GLU 127 Ca 0.00 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2bcm s GLU 127 Cb 0.00 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 2bcm s GLU 127 CO 0.00 -0.33 -0.03 0.71 -0.54 0.00 0.00 175.26 175.06 2bcm s TYR 128 N 2.18 3.04 0.03 5.30 2.02 0.29 -3.92 117.35 126.28 2bcm s TYR 128 Ca 0.17 0.09 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 2bcm s TYR 128 Cb -0.16 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2bcm s TYR 128 CO 0.10 0.40 -0.15 0.99 -1.57 0.00 0.00 175.55 175.32 2bcm s THR 129 N -0.88 1.20 -0.07 -0.71 2.01 -0.06 -1.01 115.64 116.12 2bcm s THR 129 Ca 0.14 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2bcm s THR 129 Cb -0.11 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2bcm s THR 129 CO 0.03 0.10 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.79 2bcm s LEU 130 N -0.97 1.20 -0.18 4.42 2.96 -0.05 -1.30 118.68 124.76 2bcm s LEU 130 Ca 0.03 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2bcm s LEU 130 Cb -0.07 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 2bcm s LEU 130 CO 0.01 -0.08 -0.02 0.20 -1.32 0.00 0.00 176.35 175.14 2bcm s ASN 131 N 1.27 4.77 -0.10 3.68 0.01 -1.26 -0.91 114.94 122.40 2bcm s ASN 131 Ca -0.05 -0.19 0.03 0.00 -0.71 0.00 0.00 52.86 51.95 2bcm s ASN 131 Cb -0.14 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.73 2bcm s ASN 131 CO -0.02 0.10 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.71 2bcm s LEU 132 N 0.75 1.94 -0.07 0.60 1.43 -0.64 -2.37 118.68 120.31 2bcm s LEU 132 Ca -0.01 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2bcm s LEU 132 Cb -0.14 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2bcm s LEU 132 CO 0.02 0.09 -0.12 -0.89 0.23 0.00 0.00 176.35 175.68 2bcm s THR 133 N 0.61 3.21 0.42 5.49 2.01 -0.10 -0.72 115.64 126.56 2bcm s THR 133 Ca -0.14 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2bcm s THR 133 Cb -0.17 -2.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.95 2bcm s THR 133 CO 0.04 0.57 0.98 -0.83 -0.69 0.00 0.00 174.62 174.70 2bcm s GLY 134 N -0.47 2.54 0.00 4.40 0.00 0.19 -0.80 107.32 113.18 2bcm s GLY 134 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2bcm s GLY 134 CO 0.02 0.85 0.00 0.61 0.00 0.00 0.00 173.10 174.58 2bcm n GLY 135 N -0.19 1.08 3.17 0.20 0.00 -0.49 -1.22 105.19 107.76 2bcm n GLY 135 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2bcm n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bcm s TYR 136 N -1.65 0.58 -0.15 1.61 1.13 -0.33 -1.28 117.35 117.27 2bcm s TYR 136 Ca 0.00 -1.02 -0.04 0.00 -1.41 0.00 0.00 57.07 54.61 2bcm s TYR 136 Cb 0.00 -0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 40.51 2bcm s TYR 136 CO 0.00 -0.52 -0.02 -0.46 -2.51 0.00 0.00 175.55 172.04 2bcm s TRP 137 N -3.97 3.07 -1.47 -3.49 -0.11 0.07 -0.62 118.94 112.41 2bcm s TRP 137 Ca 0.15 -0.17 0.12 0.00 1.22 0.00 0.00 56.10 57.42 2bcm s TRP 137 Cb 0.07 -1.95 0.09 0.00 -1.50 0.00 0.00 33.47 30.18 2bcm s TRP 137 CO -0.04 0.06 0.87 0.25 -4.62 0.00 0.00 176.95 173.48