#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam n LEU 2 N 0.00 0.00 -4.10 4.03 7.94 -1.26 -5.04 117.00 118.56 2qam n LEU 2 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2qam n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 2qam n LEU 2 CO 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 177.39 175.94 2qam s GLN 3 N 0.00 0.69 0.19 1.96 -2.07 -1.26 -4.63 119.66 114.54 2qam s GLN 3 Ca 0.00 -1.27 -0.32 0.00 -1.82 0.00 0.00 55.36 51.95 2qam s GLN 3 Cb 0.00 0.22 -0.11 0.00 -1.09 0.00 0.00 33.01 32.02 2qam s GLN 3 CO 0.00 -0.15 1.73 -2.14 -1.32 0.00 0.00 175.29 173.42 2qam s PRO 4 N -3.95 4.13 0.19 9.60 0.02 -1.26 -4.87 135.00 138.86 2qam s PRO 4 Ca 0.11 2.59 0.18 0.00 0.02 0.00 0.00 61.00 63.90 2qam s PRO 4 Cb 0.08 -3.18 0.81 0.00 0.02 0.00 0.00 34.50 32.23 2qam s PRO 4 CO -0.07 -0.76 1.54 1.63 -0.33 0.00 0.00 177.00 179.01 2qam n LYS 5 N 4.31 0.11 -3.86 5.54 4.76 -1.26 -4.80 118.16 122.96 2qam n LYS 5 Ca 0.16 0.46 -0.07 0.00 -2.87 0.00 0.00 58.31 55.99 2qam n LYS 5 Cb 0.36 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.77 2qam n LYS 5 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2qam s ARG 6 N -3.27 1.86 -0.23 1.97 3.52 -1.26 -5.18 118.95 116.35 2qam s ARG 6 Ca 0.02 -1.08 -0.29 0.00 -0.13 0.00 0.00 55.73 54.25 2qam s ARG 6 Cb 0.07 0.61 0.16 0.00 -1.56 0.00 0.00 34.95 34.23 2qam s ARG 6 CO 0.25 -0.85 1.19 0.95 -0.81 0.00 0.00 175.30 176.04 2qam s THR 7 N -3.64 0.00 0.17 4.11 -4.23 -1.26 -5.05 115.64 105.74 2qam s THR 7 Ca 0.12 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.54 2qam s THR 7 Cb -0.06 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.83 2qam s THR 7 CO 0.08 0.00 1.61 0.50 -0.54 0.00 0.00 174.62 176.27 2qam h LYS 8 N 2.39 1.05 -5.54 3.99 1.63 -2.03 -3.44 116.57 114.63 2qam h LYS 8 Ca -0.14 -0.38 -0.50 0.00 -0.85 0.00 0.00 60.65 58.78 2qam h LYS 8 Cb 1.18 -0.07 -0.26 0.00 -0.60 0.00 0.00 32.23 32.47 2qam h LYS 8 CO 0.25 1.08 -0.81 -0.06 -3.45 0.00 0.00 179.45 176.46 2qam s PHE 9 N -4.89 1.42 0.09 1.91 0.08 -1.26 -5.05 117.98 110.28 2qam s PHE 9 Ca -0.12 -0.33 0.18 0.00 0.12 0.00 0.00 56.93 56.79 2qam s PHE 9 Cb 0.13 -0.86 0.54 0.00 -0.57 0.00 0.00 43.02 42.26 2qam s PHE 9 CO 0.86 0.03 1.66 -0.09 -0.10 0.00 0.00 175.22 177.59 2qam h ARG 10 N 5.19 0.00 -3.72 0.44 2.43 -2.03 -3.44 114.38 113.25 2qam h ARG 10 Ca -0.38 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.36 2qam h ARG 10 Cb 1.17 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.34 2qam h ARG 10 CO 0.45 0.41 -0.77 0.15 -1.51 0.00 0.00 179.97 178.70 2qam s LYS 11 N -3.44 0.59 0.34 0.20 1.02 -1.26 -4.83 119.74 112.37 2qam s LYS 11 Ca 0.01 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.11 2qam s LYS 11 Cb 0.10 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.46 2qam s LYS 11 CO 0.70 -0.28 0.54 1.41 -0.92 0.00 0.00 175.35 176.80 2qam s MET 12 N 1.84 3.44 0.00 1.68 1.75 -1.26 -5.11 119.30 121.64 2qam s MET 12 Ca 0.03 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.06 2qam s MET 12 Cb -0.12 -2.68 0.00 0.00 2.84 0.00 0.00 34.83 34.86 2qam s MET 12 CO -0.05 0.14 0.00 0.72 -0.65 0.00 0.00 175.02 175.19 2qam n HIS 13 N -1.76 -2.15 -0.08 4.11 8.25 -1.26 -4.77 115.22 117.56 2qam n HIS 13 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 2qam n HIS 13 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 2qam n HIS 13 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2qam h LYS 14 N 0.00 0.00 0.00 -0.41 3.64 -2.06 -3.46 116.57 114.27 2qam h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qam h LYS 14 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2qam h LYS 14 CO 0.00 0.31 0.00 0.41 -2.27 0.00 0.00 179.45 177.90 2qam n GLY 15 N 1.60 0.93 3.67 5.01 0.00 -1.26 -5.00 105.19 110.15 2qam n GLY 15 Ca -0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 2qam n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qam s ARG 16 N 0.00 0.72 0.54 1.61 1.70 -1.26 -5.19 118.95 117.07 2qam s ARG 16 Ca 0.00 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 54.90 2qam s ARG 16 Cb 0.00 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 2qam s ARG 16 CO 0.00 -0.33 0.75 -0.80 -1.08 0.00 0.00 175.30 173.84 2qam s ASN 17 N -2.97 5.25 -0.11 -2.89 0.02 -1.26 -5.06 114.94 107.93 2qam s ASN 17 Ca 0.13 -0.23 0.10 0.00 -1.02 0.00 0.00 52.86 51.85 2qam s ASN 17 Cb 0.02 -0.62 0.22 0.00 0.02 0.00 0.00 41.25 40.90 2qam s ASN 17 CO -0.01 -1.14 1.17 0.54 0.02 0.00 0.00 177.10 177.68 2qam n ARG 18 N -2.26 0.49 -0.50 -0.60 5.12 -1.26 -5.16 116.66 112.49 2qam n ARG 18 Ca 0.09 -1.47 0.07 0.00 -1.93 0.00 0.00 57.85 54.62 2qam n ARG 18 Cb 0.60 0.20 -0.02 0.00 -1.16 0.00 0.00 32.46 32.08 2qam n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qam n GLY 19 N -0.34 -0.71 2.92 -0.13 0.00 -1.26 -4.97 105.19 100.70 2qam n GLY 19 Ca -0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 2qam n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qam n LEU 20 N 0.00 -6.47 -4.61 0.99 7.99 -0.84 -4.80 117.00 109.26 2qam n LEU 20 Ca 0.00 0.93 -0.30 0.00 -0.01 0.00 0.00 56.01 56.63 2qam n LEU 20 Cb 0.23 -2.78 0.23 0.00 -0.11 0.00 0.00 43.42 40.99 2qam n LEU 20 CO 0.00 -2.41 0.63 0.00 -1.51 0.00 0.00 177.39 174.11 2qam s ALA 21 N -1.60 0.69 -0.12 -1.18 0.00 0.14 -4.93 121.76 114.77 2qam s ALA 21 Ca 0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 2qam s ALA 21 Cb -0.01 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2qam s ALA 21 CO 0.59 -3.47 -0.21 1.04 0.00 0.00 0.00 175.76 173.71 2qam n GLN 22 N -4.67 0.35 -1.92 0.00 1.13 -1.26 -4.80 117.38 106.21 2qam n GLN 22 Ca 0.12 0.23 -0.37 0.00 -1.94 0.00 0.00 57.00 55.04 2qam n GLN 22 Cb 0.59 -1.22 -0.03 0.00 0.11 0.00 0.00 30.24 29.69 2qam n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qam s GLY 23 N -4.16 0.03 0.00 1.08 0.00 -1.26 -4.78 107.32 98.24 2qam s GLY 23 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2qam s GLY 23 CO 0.26 3.61 0.00 2.41 0.00 0.00 0.00 173.10 179.37 2qam n THR 24 N 7.44 0.00 -1.68 0.90 -1.04 -1.26 -2.42 114.28 116.22 2qam n THR 24 Ca 0.25 0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.88 2qam n THR 24 Cb 0.52 -0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 68.04 2qam n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2qam n ASP 25 N -1.54 4.03 -4.64 8.00 8.00 -1.26 -4.61 116.55 124.53 2qam n ASP 25 Ca 0.00 0.97 -0.47 0.00 0.71 0.00 0.00 54.79 56.00 2qam n ASP 25 Cb 0.00 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 39.53 2qam n ASP 25 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2qam n VAL 26 N 4.87 0.48 -2.45 2.53 3.14 -1.26 -4.92 118.33 120.72 2qam n VAL 26 Ca 0.19 -0.12 -0.08 0.00 -2.96 0.00 0.00 64.34 61.37 2qam n VAL 26 Cb 0.37 -1.27 0.05 0.00 -1.06 0.00 0.00 33.84 31.93 2qam n VAL 26 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2qam n SER 27 N 2.58 2.74 0.00 6.55 7.64 -1.26 -4.79 113.62 127.08 2qam n SER 27 Ca 0.15 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2qam n SER 27 Cb 0.27 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2qam n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qam n PHE 28 N -0.58 0.00 -1.06 1.43 3.72 -1.26 -5.15 117.46 114.56 2qam n PHE 28 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2qam n PHE 28 Cb 0.88 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 2qam n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qam n GLY 29 N -0.31 5.30 0.00 1.37 0.00 -1.26 -4.93 105.19 105.36 2qam n GLY 29 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2qam n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qam n SER 30 N 0.00 0.26 0.00 1.61 3.41 0.22 -4.67 113.62 114.45 2qam n SER 30 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 2qam n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qam n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qam n PHE 31 N -0.02 0.00 0.00 7.33 3.01 -0.35 -2.17 117.46 125.26 2qam n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qam n PHE 31 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2qam n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qam n GLY 32 N 0.00 2.33 3.80 1.37 0.00 -1.25 -4.15 105.19 107.29 2qam n GLY 32 Ca 0.00 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 2qam n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qam s LEU 33 N 0.00 4.06 0.20 0.99 1.43 -1.14 -3.13 118.68 121.09 2qam s LEU 33 Ca 0.00 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 2qam s LEU 33 Cb 0.00 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2qam s LEU 33 CO 0.00 0.39 0.08 -0.75 0.23 0.00 0.00 176.35 176.30 2qam s LYS 34 N -0.93 2.64 0.00 1.70 2.47 -0.13 -0.65 119.74 124.84 2qam s LYS 34 Ca 0.14 -1.08 0.00 0.00 -1.56 0.00 0.00 55.97 53.47 2qam s LYS 34 Cb -0.12 -2.45 0.00 0.00 -1.46 0.00 0.00 37.83 33.80 2qam s LYS 34 CO 0.03 0.44 0.56 0.00 0.16 0.00 0.00 175.35 176.54 2qam n ALA 35 N -0.55 -0.14 0.00 3.13 0.00 0.12 -2.54 120.51 120.54 2qam n ALA 35 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2qam n ALA 35 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2qam n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qam n VAL 36 N -0.97 0.00 -3.98 0.00 0.31 -1.26 -3.67 118.33 108.76 2qam n VAL 36 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2qam n VAL 36 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 2qam n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qam s GLY 37 N -1.68 0.55 0.43 2.92 0.00 -1.26 -4.85 107.32 103.43 2qam s GLY 37 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 2qam s GLY 37 CO 0.00 -0.83 0.59 0.54 0.00 0.00 0.00 173.10 173.40 2qam n ARG 38 N -0.25 -0.01 0.00 2.90 1.74 -1.26 -2.33 116.66 117.45 2qam n ARG 38 Ca -0.06 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 2qam n ARG 38 Cb 0.63 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 2qam n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qam n GLY 39 N 0.65 0.74 2.94 -0.13 0.00 -1.16 -4.69 105.19 103.55 2qam n GLY 39 Ca 0.09 -2.29 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 2qam n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qam s ARG 40 N -0.80 0.48 -0.23 1.61 1.70 -1.26 -1.44 118.95 119.01 2qam s ARG 40 Ca 0.00 -0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 54.93 2qam s ARG 40 Cb 0.00 -0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 33.87 2qam s ARG 40 CO 0.00 0.07 0.44 -0.51 -1.08 0.00 0.00 175.30 174.23 2qam s LEU 41 N 0.08 4.11 0.00 -1.89 1.43 0.22 -4.76 118.68 117.87 2qam s LEU 41 Ca -0.01 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 2qam s LEU 41 Cb -0.05 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2qam s LEU 41 CO -0.00 -0.17 0.43 0.41 0.23 0.00 0.00 176.35 177.25 2qam n THR 42 N 4.72 0.36 0.00 5.49 -1.04 -1.26 0.20 114.28 122.74 2qam n THR 42 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2qam n THR 42 Cb 0.51 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 2qam n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qam n ALA 43 N 0.60 0.00 -0.46 2.41 0.00 -1.22 -3.69 120.51 118.15 2qam n ALA 43 Ca 0.00 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.85 2qam n ALA 43 Cb 0.22 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.43 2qam n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qam h ARG 44 N 0.00 0.02 0.43 0.00 2.43 -1.88 0.54 114.38 115.91 2qam h ARG 44 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qam h ARG 44 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qam h ARG 44 CO 0.00 0.01 -0.21 1.96 -1.51 0.00 0.00 179.97 180.23 2qam h GLN 45 N 0.02 -0.55 -0.70 0.20 4.20 -1.92 0.15 115.11 116.51 2qam h GLN 45 Ca 0.71 0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.66 2qam h GLN 45 Cb 2.78 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 30.65 2qam h GLN 45 CO -0.04 -0.32 0.59 -0.84 -0.67 0.00 0.00 178.83 177.56 2qam h ILE 46 N -1.11 0.45 0.16 2.54 3.07 -0.41 0.70 117.51 122.91 2qam h ILE 46 Ca -0.06 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.03 2qam h ILE 46 Cb 0.49 0.56 0.01 0.00 -0.27 0.00 0.00 36.82 37.61 2qam h ILE 46 CO 0.10 0.00 -1.56 -0.08 -1.05 0.00 0.00 178.15 175.56 2qam h GLU 47 N 0.00 0.35 -0.16 0.16 4.22 -0.60 -1.79 114.58 116.75 2qam h GLU 47 Ca 0.33 -0.59 -0.07 0.00 0.08 0.00 0.00 59.36 59.11 2qam h GLU 47 Cb 1.51 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 2qam h GLU 47 CO -0.00 1.24 -0.23 0.00 -2.18 0.00 0.00 179.01 177.84 2qam h ALA 48 N 0.33 1.32 0.14 2.92 0.00 0.31 -2.50 119.26 121.77 2qam h ALA 48 Ca -0.26 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.08 2qam h ALA 48 Cb 2.06 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 19.79 2qam h ALA 48 CO 0.19 0.46 -1.16 0.00 0.00 0.00 0.00 179.25 178.75 2qam h ALA 49 N 1.51 -0.05 -0.64 0.00 0.00 -0.10 -3.26 119.26 116.71 2qam h ALA 49 Ca 0.04 -0.76 0.12 0.00 0.00 0.00 0.00 54.91 54.32 2qam h ALA 49 Cb 0.55 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2qam h ALA 49 CO 0.04 0.60 0.17 -0.09 0.00 0.00 0.00 179.25 179.97 2qam h ARG 50 N 0.11 0.30 -0.77 0.00 2.43 -1.06 -0.49 114.38 114.90 2qam h ARG 50 Ca -0.18 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 2qam h ARG 50 Cb 1.86 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 31.29 2qam h ARG 50 CO 0.22 0.20 0.47 0.00 -1.51 0.00 0.00 179.97 179.35 2qam h ARG 51 N 0.31 0.85 -0.10 0.20 3.08 -1.54 -2.17 114.38 115.03 2qam h ARG 51 Ca 0.34 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.38 2qam h ARG 51 Cb 0.51 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2qam h ARG 51 CO -0.40 0.56 -0.19 0.00 -1.07 0.00 0.00 179.97 178.88 2qam h ALA 52 N 1.36 -0.15 -0.23 0.04 0.00 -1.15 0.14 119.26 119.26 2qam h ALA 52 Ca 0.33 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2qam h ALA 52 Cb 0.12 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2qam h ALA 52 CO -0.15 -0.65 -0.39 0.52 0.00 0.00 0.00 179.25 178.58 2qam h MET 53 N -0.25 -0.30 -0.23 0.00 2.86 -0.87 -2.02 114.93 114.13 2qam h MET 53 Ca 0.09 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 2qam h MET 53 Cb 0.38 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.03 2qam h MET 53 CO -0.24 -0.20 -0.47 1.15 1.06 0.00 0.00 176.91 178.21 2qam h THR 54 N -0.32 0.08 0.00 2.22 2.02 -1.11 -1.25 112.91 114.56 2qam h THR 54 Ca 0.04 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.97 2qam h THR 54 Cb 0.43 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2qam h THR 54 CO -0.39 0.00 2.01 -1.14 0.37 0.00 0.00 175.52 176.38 2qam n ARG 55 N -5.43 1.42 0.03 6.66 3.00 0.44 -0.78 116.66 122.00 2qam n ARG 55 Ca -0.04 -1.12 0.00 0.00 -0.00 0.00 0.00 57.85 56.69 2qam n ARG 55 Cb 0.36 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.55 2qam n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qam n ALA 56 N 4.35 0.00 0.31 5.13 0.00 -0.91 -4.86 120.51 124.52 2qam n ALA 56 Ca 0.30 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.91 2qam n ALA 56 Cb 0.11 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.31 2qam n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qam h VAL 57 N 0.00 0.00 0.00 0.00 2.07 -0.09 -3.45 116.25 114.78 2qam h VAL 57 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qam h VAL 57 Cb 0.00 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2qam h VAL 57 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2qam n LYS 58 N -2.79 0.00 0.00 1.57 4.01 0.04 -4.11 118.16 116.88 2qam n LYS 58 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2qam n LYS 58 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.72 2qam n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2qam n ARG 59 N 0.00 0.00 -0.10 1.97 0.63 -1.26 -4.92 116.66 112.97 2qam n ARG 59 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2qam n ARG 59 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 2qam n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qam n GLN 60 N 0.00 0.00 0.00 -0.14 10.64 -1.26 -4.78 117.38 121.84 2qam n GLN 60 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2qam n GLN 60 Cb 0.00 -0.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.29 2qam n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qam n GLY 61 N 0.26 3.91 3.62 2.61 0.00 -0.94 -4.54 105.19 110.12 2qam n GLY 61 Ca 0.02 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 2qam n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qam s LYS 62 N -4.44 3.35 0.15 1.61 2.20 -1.26 -4.83 119.74 116.52 2qam s LYS 62 Ca 0.00 -0.43 0.09 0.00 -0.36 0.00 0.00 55.97 55.27 2qam s LYS 62 Cb 0.00 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2qam s LYS 62 CO 0.00 0.50 -0.11 0.42 -0.36 0.00 0.00 175.35 175.80 2qam s ILE 63 N -0.32 3.14 0.08 5.43 1.09 -1.26 -3.21 121.20 126.16 2qam s ILE 63 Ca 0.07 -1.56 0.03 0.00 -1.10 0.00 0.00 60.65 58.09 2qam s ILE 63 Cb -0.12 -2.52 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 2qam s ILE 63 CO 0.02 -0.03 -0.10 0.26 -0.10 0.00 0.00 174.94 175.00 2qam s TRP 64 N -1.50 0.99 -0.43 3.97 0.51 0.83 -4.92 118.94 118.38 2qam s TRP 64 Ca 0.23 -0.63 0.05 0.00 -2.12 0.00 0.00 56.10 53.63 2qam s TRP 64 Cb -0.10 -0.55 0.20 0.00 -0.81 0.00 0.00 33.47 32.21 2qam s TRP 64 CO 0.14 -0.02 0.42 -0.89 -0.51 0.00 0.00 176.95 176.09 2qam n ILE 65 N 0.75 -0.73 0.14 2.03 5.41 -1.26 -1.59 119.36 124.12 2qam n ILE 65 Ca -0.18 -3.77 0.09 0.00 1.00 0.00 0.00 62.75 59.90 2qam n ILE 65 Cb 0.57 -1.80 0.49 0.00 -0.71 0.00 0.00 39.64 38.20 2qam n ILE 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2qam n ARG 66 N 2.28 0.12 -3.08 0.38 1.74 -1.07 -4.64 116.66 112.39 2qam n ARG 66 Ca 0.27 0.61 -0.30 0.00 -0.77 0.00 0.00 57.85 57.65 2qam n ARG 66 Cb 0.48 -1.88 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 2qam n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qam s VAL 67 N -3.46 4.84 -0.11 1.55 -7.23 -1.24 -5.02 120.40 109.73 2qam s VAL 67 Ca -0.02 0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 60.50 2qam s VAL 67 Cb 0.05 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.34 2qam s VAL 67 CO 0.17 -0.36 0.48 0.12 -0.31 0.00 0.00 175.10 175.20 2qam s PHE 68 N -2.17 -0.46 0.00 2.82 5.36 -1.26 -5.12 117.98 117.15 2qam s PHE 68 Ca 0.50 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 2qam s PHE 68 Cb -0.10 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 2qam s PHE 68 CO 0.27 -0.37 0.18 -0.35 -1.46 0.00 0.00 175.22 173.49 2qam n PRO 69 N 1.98 0.00 0.00 10.12 -0.04 -1.26 -4.45 135.00 141.35 2qam n PRO 69 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2qam n PRO 69 Cb 0.56 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 2qam n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qam n ASP 70 N -0.23 0.00 -4.57 3.54 5.68 -1.24 -4.23 116.55 115.49 2qam n ASP 70 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 2qam n ASP 70 Cb 0.00 -0.65 -0.10 0.00 -1.14 0.00 0.00 41.12 39.22 2qam n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qam s LYS 71 N 0.00 3.77 0.00 0.11 2.20 -1.05 -4.99 119.74 119.79 2qam s LYS 71 Ca 0.00 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 2qam s LYS 71 Cb 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2qam s LYS 71 CO 0.00 -0.32 0.72 -2.30 -0.36 0.00 0.00 175.35 173.09 2qam n PRO 72 N 5.15 0.00 -2.06 4.03 -0.02 -1.26 -0.77 135.00 140.07 2qam n PRO 72 Ca -0.12 0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 2qam n PRO 72 Cb 0.51 -1.22 -0.01 0.00 -0.02 0.00 0.00 33.50 32.75 2qam n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qam n ILE 73 N -1.55 -7.46 -0.30 4.25 2.08 -1.26 -3.62 119.36 111.49 2qam n ILE 73 Ca 0.00 1.17 0.00 0.00 0.56 0.00 0.00 62.75 64.48 2qam n ILE 73 Cb 0.00 -5.19 0.00 0.00 -0.75 0.00 0.00 39.64 33.70 2qam n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qam n THR 74 N 0.62 0.00 -3.64 1.39 -2.24 -1.26 -3.35 114.28 105.81 2qam n THR 74 Ca -0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2qam n THR 74 Cb 0.19 -1.63 -0.04 0.00 -2.10 0.00 0.00 70.33 66.74 2qam n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qam s GLU 75 N -1.10 0.13 -0.09 -0.78 2.12 -1.03 -4.61 118.70 113.34 2qam s GLU 75 Ca 0.00 0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 2qam s GLU 75 Cb 0.00 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 2qam s GLU 75 CO 0.00 -0.04 -0.04 0.15 -0.54 0.00 0.00 175.26 174.80 2qam s LYS 76 N -0.96 2.98 0.97 4.30 1.02 -1.26 -3.39 119.74 123.40 2qam s LYS 76 Ca 0.07 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.43 2qam s LYS 76 Cb -0.01 -2.72 0.08 0.00 -0.52 0.00 0.00 37.83 34.66 2qam s LYS 76 CO -0.07 0.62 -0.08 -2.30 -0.92 0.00 0.00 175.35 172.59 2qam n PRO 77 N 2.39 -1.50 0.00 -1.68 -0.02 -1.26 -5.00 135.00 127.94 2qam n PRO 77 Ca -0.18 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 2qam n PRO 77 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 2qam n PRO 77 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2qam n LEU 78 N -0.07 0.00 -4.35 2.45 -0.00 -1.26 -4.28 117.00 109.49 2qam n LEU 78 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.76 2qam n LEU 78 Cb 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.76 2qam n LEU 78 CO 0.30 0.00 1.46 0.00 -0.00 0.00 0.00 177.39 179.15 2qam n ALA 79 N -3.00 1.47 -2.82 1.47 0.00 -1.26 -4.85 120.51 111.52 2qam n ALA 79 Ca 0.00 -2.81 -0.19 0.00 0.00 0.00 0.00 53.44 50.44 2qam n ALA 79 Cb 0.00 -3.49 -0.15 0.00 0.00 0.00 0.00 19.45 15.81 2qam n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qam s VAL 80 N 11.71 0.70 1.12 0.00 0.11 -1.26 -5.15 120.40 127.63 2qam s VAL 80 Ca 0.71 -0.35 -0.19 0.00 -2.93 0.00 0.00 61.98 59.22 2qam s VAL 80 Cb 0.02 -0.60 0.12 0.00 -1.53 0.00 0.00 36.38 34.38 2qam s VAL 80 CO 0.17 0.21 0.03 -1.14 -3.33 0.00 0.00 175.10 171.04 2qam n ARG 81 N 3.04 -1.79 -3.70 1.54 0.63 -1.26 -5.00 116.66 110.12 2qam n ARG 81 Ca -0.15 -0.51 -0.23 0.00 -0.92 0.00 0.00 57.85 56.04 2qam n ARG 81 Cb 0.56 -1.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.79 2qam n ARG 81 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2qam s MET 82 N -3.47 3.46 -0.07 -0.14 -1.94 -1.26 -4.77 119.30 111.11 2qam s MET 82 Ca 0.54 -0.55 -0.07 0.00 -1.71 0.00 0.00 55.69 53.90 2qam s MET 82 Cb -0.10 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 33.95 2qam s MET 82 CO 0.62 0.31 0.11 0.41 -0.01 0.00 0.00 175.02 176.46 2qam n GLY 83 N -1.53 0.03 1.03 -0.03 0.00 -1.26 -4.91 105.19 98.53 2qam n GLY 83 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qam n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qam n LYS 84 N 0.83 0.00 0.00 1.61 4.76 -1.26 -5.09 118.16 119.01 2qam n LYS 84 Ca -0.01 -1.27 0.00 0.00 -2.87 0.00 0.00 58.31 54.16 2qam n LYS 84 Cb 0.41 0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 2qam n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qam n GLY 85 N 0.20 3.15 3.64 0.72 0.00 -1.26 -5.01 105.19 106.63 2qam n GLY 85 Ca -0.05 -1.39 -0.54 0.00 0.00 0.00 0.00 46.02 44.05 2qam n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qam n LYS 86 N 0.96 1.24 -0.71 1.61 4.81 -1.26 -4.88 118.16 119.93 2qam n LYS 86 Ca 0.00 0.45 -0.32 0.00 -0.87 0.00 0.00 58.31 57.57 2qam n LYS 86 Cb 0.00 -2.12 0.16 0.00 0.02 0.00 0.00 35.03 33.08 2qam n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qam n GLY 87 N 3.24 -2.22 3.85 3.14 0.00 -1.26 -4.96 105.19 106.98 2qam n GLY 87 Ca 0.21 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2qam n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s ASN 88 N -1.96 6.47 0.24 1.61 2.20 -1.22 -4.56 114.94 117.73 2qam s ASN 88 Ca 0.57 1.48 -0.30 0.00 -0.94 0.00 0.00 52.86 53.67 2qam s ASN 88 Cb -0.17 -2.48 -0.10 0.00 -2.00 0.00 0.00 41.25 36.50 2qam s ASN 88 CO 0.66 -0.68 1.50 -0.69 -2.94 0.00 0.00 177.10 174.95 2qam s VAL 89 N -2.81 2.52 -0.08 3.54 1.01 -1.26 -2.46 120.40 120.86 2qam s VAL 89 Ca 0.57 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 2qam s VAL 89 Cb -0.10 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2qam s VAL 89 CO 0.39 0.06 -0.22 1.21 0.00 0.00 0.00 175.10 176.55 2qam n GLU 90 N 2.59 0.33 0.00 2.72 4.07 -1.21 -4.92 120.64 124.21 2qam n GLU 90 Ca 0.08 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 2qam n GLU 90 Cb 0.39 -1.06 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 2qam n GLU 90 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2qam n TYR 91 N -4.02 0.00 -3.54 4.31 4.11 -1.25 -5.12 117.16 111.65 2qam n TYR 91 Ca -0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.66 2qam n TYR 91 Cb 0.32 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.54 2qam n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qam s TRP 92 N 0.68 -0.39 0.43 -3.48 0.52 -1.24 -4.44 118.94 111.02 2qam s TRP 92 Ca 0.00 0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.73 2qam s TRP 92 Cb 0.00 -0.20 0.01 0.00 -1.15 0.00 0.00 33.47 32.13 2qam s TRP 92 CO 0.00 -0.52 0.61 0.54 0.02 0.00 0.00 176.95 177.60 2qam s VAL 93 N 2.39 3.45 -0.31 4.03 0.11 0.05 -3.38 120.40 126.74 2qam s VAL 93 Ca 0.06 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 2qam s VAL 93 Cb -0.14 -3.22 0.10 0.00 -1.53 0.00 0.00 36.38 31.58 2qam s VAL 93 CO -0.11 -0.12 0.07 0.00 -3.33 0.00 0.00 175.10 171.61 2qam s ALA 94 N -2.44 2.10 -0.11 1.54 0.00 0.53 -2.53 121.76 120.85 2qam s ALA 94 Ca 0.51 -1.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.20 2qam s ALA 94 Cb -0.10 -1.74 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 2qam s ALA 94 CO 0.35 -1.63 2.02 -0.51 0.00 0.00 0.00 175.76 175.98 2qam s LEU 95 N 1.32 3.93 0.20 0.00 1.02 -1.26 -0.61 118.68 123.28 2qam s LEU 95 Ca 0.09 2.17 0.07 0.00 0.02 0.00 0.00 54.13 56.48 2qam s LEU 95 Cb -0.18 -3.52 -0.05 0.00 0.02 0.00 0.00 46.19 42.46 2qam s LEU 95 CO -0.17 -1.47 -0.12 0.27 0.02 0.00 0.00 176.35 174.88 2qam s ILE 96 N 6.21 1.60 0.20 -0.59 -4.36 -0.52 -4.97 121.20 118.77 2qam s ILE 96 Ca 0.91 -2.17 -0.10 0.00 -0.26 0.00 0.00 60.65 59.03 2qam s ILE 96 Cb -0.36 -2.06 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 2qam s ILE 96 CO 0.37 -0.58 0.34 0.00 0.24 0.00 0.00 174.94 175.30 2qam s GLN 97 N -3.68 1.30 -0.05 0.37 0.00 -1.26 -2.99 119.66 113.35 2qam s GLN 97 Ca 0.22 -1.25 -0.39 0.00 -0.00 0.00 0.00 55.36 53.94 2qam s GLN 97 Cb 0.01 0.40 -0.18 0.00 0.00 0.00 0.00 33.01 33.23 2qam s GLN 97 CO 0.06 -0.50 1.31 -2.30 0.00 0.00 0.00 175.29 173.86 2qam n PRO 98 N -0.28 0.58 -0.31 9.60 -0.02 -0.98 -2.12 135.00 141.46 2qam n PRO 98 Ca -0.04 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2qam n PRO 98 Cb 0.63 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2qam n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qam n GLY 99 N 2.46 0.85 3.79 -1.23 0.00 -1.26 0.29 105.19 110.09 2qam n GLY 99 Ca 0.21 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2qam n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s LYS 100 N -0.65 4.05 -0.99 1.61 -0.14 -0.90 -4.15 119.74 118.57 2qam s LYS 100 Ca 0.00 0.35 -0.18 0.00 -1.36 0.00 0.00 55.97 54.78 2qam s LYS 100 Cb 0.00 -3.30 0.14 0.00 -1.68 0.00 0.00 37.83 32.99 2qam s LYS 100 CO 0.00 0.50 1.20 0.54 -0.76 0.00 0.00 175.35 176.83 2qam s VAL 101 N -0.45 4.76 0.03 3.17 0.11 -1.01 0.12 120.40 127.14 2qam s VAL 101 Ca 0.23 -1.77 -0.15 0.00 -2.93 0.00 0.00 61.98 57.36 2qam s VAL 101 Cb -0.16 -4.81 -0.07 0.00 -1.53 0.00 0.00 36.38 29.81 2qam s VAL 101 CO 0.11 -1.54 1.23 -0.07 -3.33 0.00 0.00 175.10 171.50 2qam h LEU 102 N 10.35 -0.58 0.00 2.54 -0.00 -1.21 -3.34 115.31 123.07 2qam h LEU 102 Ca 0.19 0.05 -0.50 0.00 -0.00 0.00 0.00 57.88 57.62 2qam h LEU 102 Cb 0.99 0.19 -0.11 0.00 -0.00 0.00 0.00 40.66 41.73 2qam h LEU 102 CO 1.14 -0.28 -0.42 -1.22 -0.00 0.00 0.00 178.44 177.66 2qam n TYR 103 N -3.62 0.12 -3.67 1.13 4.02 -1.24 -2.60 117.16 111.30 2qam n TYR 103 Ca -0.05 -2.36 -0.08 0.00 -0.01 0.00 0.00 57.90 55.40 2qam n TYR 103 Cb 0.20 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.43 2qam n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qam s GLU 104 N -3.40 0.47 0.29 -0.72 2.02 -0.62 -2.89 118.70 113.86 2qam s GLU 104 Ca 0.19 1.06 0.11 0.00 0.02 0.00 0.00 54.97 56.35 2qam s GLU 104 Cb 0.01 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 2qam s GLU 104 CO 0.13 -0.19 -0.17 -1.64 0.02 0.00 0.00 175.26 173.41 2qam s MET 105 N 2.03 1.75 0.14 1.61 -1.94 -1.26 -0.12 119.30 121.51 2qam s MET 105 Ca -0.07 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.15 2qam s MET 105 Cb -0.09 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.95 2qam s MET 105 CO -0.15 0.31 0.00 -3.47 -0.01 0.00 0.00 175.02 171.69 2qam n ASP 106 N -0.67 -1.10 -1.90 3.03 2.03 -1.20 0.70 116.55 117.45 2qam n ASP 106 Ca -0.05 0.27 -0.03 0.00 0.52 0.00 0.00 54.79 55.50 2qam n ASP 106 Cb 0.60 1.30 -0.04 0.00 -0.72 0.00 0.00 41.12 42.26 2qam n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qam n GLY 107 N -0.83 1.85 3.53 0.27 0.00 -1.26 -4.71 105.19 104.03 2qam n GLY 107 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2qam n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s VAL 108 N 1.23 0.00 0.57 1.61 0.11 -1.26 -2.20 120.40 120.45 2qam s VAL 108 Ca 0.15 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.02 2qam s VAL 108 Cb 0.07 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 2qam s VAL 108 CO 0.00 0.00 0.62 -2.65 -3.33 0.00 0.00 175.10 169.74 2qam n PRO 109 N 0.99 0.59 0.27 1.54 -0.02 -1.26 -4.67 135.00 132.45 2qam n PRO 109 Ca -0.18 0.23 0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2qam n PRO 109 Cb 0.57 -1.79 0.77 0.00 -0.02 0.00 0.00 33.50 33.03 2qam n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qam h GLU 110 N 0.32 0.00 0.00 -0.52 9.09 -1.99 -0.56 114.58 120.92 2qam h GLU 110 Ca -0.46 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.84 2qam h GLU 110 Cb 1.39 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.48 2qam h GLU 110 CO 0.48 0.08 -0.54 1.49 0.05 0.00 0.00 179.01 180.58 2qam h GLU 111 N 0.00 0.00 0.00 1.06 4.57 -1.99 -2.39 114.58 115.83 2qam h GLU 111 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qam h GLU 111 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2qam h GLU 111 CO 0.01 0.54 -0.02 1.25 -1.18 0.00 0.00 179.01 179.61 2qam h LEU 112 N 0.00 0.00 -0.92 1.64 7.12 -1.50 -2.97 115.31 118.68 2qam h LEU 112 Ca -0.01 0.00 0.27 0.00 0.13 0.00 0.00 57.88 58.27 2qam h LEU 112 Cb 1.33 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 41.31 2qam h LEU 112 CO 0.07 0.36 0.32 0.00 -0.13 0.00 0.00 178.44 179.05 2qam h ALA 113 N -1.31 1.48 0.12 1.25 0.00 -1.30 0.13 119.26 119.63 2qam h ALA 113 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qam h ALA 113 Cb 0.02 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qam h ALA 113 CO 0.00 -0.53 -0.18 -0.09 0.00 0.00 0.00 179.25 178.46 2qam h ARG 114 N 0.21 -0.30 -2.80 0.00 2.43 -1.54 -0.89 114.38 111.49 2qam h ARG 114 Ca 0.62 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 59.13 2qam h ARG 114 Cb 1.32 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 2qam h ARG 114 CO -0.67 -0.20 3.12 -1.91 -1.51 0.00 0.00 179.97 178.80 2qam n GLU 115 N -3.40 3.95 0.00 0.20 0.00 -0.04 -2.58 120.64 118.77 2qam n GLU 115 Ca -0.04 -2.63 0.00 0.00 0.00 0.00 0.00 57.16 54.50 2qam n GLU 115 Cb 0.15 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 28.89 2qam n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qam n ALA 116 N 2.80 0.78 0.11 4.31 0.00 -0.78 -4.80 120.51 122.94 2qam n ALA 116 Ca 0.71 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.24 2qam n ALA 116 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.73 2qam n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qam h PHE 117 N 0.00 0.00 -0.04 0.00 0.04 -0.92 -2.96 116.94 113.05 2qam h PHE 117 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2qam h PHE 117 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2qam h PHE 117 CO 0.00 0.15 -0.41 -0.22 -0.60 0.00 0.00 178.31 177.23 2qam h LYS 118 N 0.00 0.10 0.00 1.51 3.64 -1.73 0.34 116.57 120.42 2qam h LYS 118 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2qam h LYS 118 Cb 1.14 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2qam h LYS 118 CO 0.01 0.50 -0.27 1.28 -2.27 0.00 0.00 179.45 178.70 2qam n LEU 119 N -4.03 0.34 -0.06 5.20 4.77 -1.21 -3.42 117.00 118.59 2qam n LEU 119 Ca -0.02 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 2qam n LEU 119 Cb 0.46 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2qam n LEU 119 CO 0.40 0.03 -0.22 0.00 -1.33 0.00 0.00 177.39 176.27 2qam h ALA 120 N 2.91 0.00 0.00 -1.18 0.00 -0.91 -3.33 119.26 116.74 2qam h ALA 120 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qam h ALA 120 Cb 0.54 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qam h ALA 120 CO 0.00 0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.90 2qam h ALA 121 N -1.04 1.24 -0.32 0.00 0.00 -0.55 -0.28 119.26 118.30 2qam h ALA 121 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2qam h ALA 121 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2qam h ALA 121 CO 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 179.25 178.78 2qam h ALA 122 N 1.19 -0.04 -2.50 0.00 0.00 -1.67 -2.94 119.26 113.30 2qam h ALA 122 Ca 0.00 0.11 -0.79 0.00 0.00 0.00 0.00 54.91 54.22 2qam h ALA 122 Cb 0.65 0.51 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 2qam h ALA 122 CO 0.00 -0.63 0.51 -1.59 0.00 0.00 0.00 179.25 177.54 2qam s LYS 123 N -6.10 4.14 -0.28 0.00 0.00 -0.12 -4.95 119.74 112.43 2qam s LYS 123 Ca -0.15 -3.08 -0.19 0.00 0.00 0.00 0.00 55.97 52.56 2qam s LYS 123 Cb 0.13 -4.60 0.10 0.00 0.00 0.00 0.00 37.83 33.47 2qam s LYS 123 CO 0.69 -1.30 0.83 -0.51 0.00 0.00 0.00 175.35 175.05 2qam s LEU 124 N -0.83 -0.72 0.24 2.77 1.43 -1.11 -4.60 118.68 115.87 2qam s LEU 124 Ca 0.31 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2qam s LEU 124 Cb -0.09 2.13 0.28 0.00 0.03 0.00 0.00 46.19 48.55 2qam s LEU 124 CO -0.07 -0.20 1.64 -0.65 0.23 0.00 0.00 176.35 177.30 2qam h PRO 125 N 6.04 0.52 -6.40 1.29 0.11 -1.92 -3.44 132.00 128.20 2qam h PRO 125 Ca -0.29 -0.24 -0.55 0.00 0.11 0.00 0.00 66.00 65.03 2qam h PRO 125 Cb 1.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2qam h PRO 125 CO 0.15 0.81 -0.02 0.42 -0.21 0.00 0.00 178.00 179.15 2qam s ILE 126 N -4.31 4.76 -0.66 4.15 1.09 -1.26 -5.03 121.20 119.94 2qam s ILE 126 Ca -0.07 0.99 -0.25 0.00 -1.10 0.00 0.00 60.65 60.22 2qam s ILE 126 Cb 0.13 -3.78 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 2qam s ILE 126 CO 0.81 0.24 1.09 -0.54 -0.10 0.00 0.00 174.94 176.44 2qam s LYS 127 N -1.95 3.23 0.41 2.79 1.02 -1.26 -5.02 119.74 118.96 2qam s LYS 127 Ca 0.39 -0.40 -0.02 0.00 0.02 0.00 0.00 55.97 55.97 2qam s LYS 127 Cb -0.16 -4.15 -0.03 0.00 -0.52 0.00 0.00 37.83 32.97 2qam s LYS 127 CO 0.20 -1.85 0.65 0.95 -0.92 0.00 0.00 175.35 174.37 2qam s THR 128 N 4.71 4.88 0.37 2.17 -4.23 -1.24 -4.03 115.64 118.28 2qam s THR 128 Ca 0.30 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 2qam s THR 128 Cb -0.12 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 2qam s THR 128 CO 0.15 -0.63 0.08 0.28 -0.54 0.00 0.00 174.62 173.97 2qam s THR 129 N -2.50 0.96 0.02 3.99 -1.32 -1.05 -4.89 115.64 110.85 2qam s THR 129 Ca 0.44 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.90 2qam s THR 129 Cb -0.10 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.29 2qam s THR 129 CO 0.39 0.00 0.17 0.12 -2.21 0.00 0.00 174.62 173.10 2qam s PHE 130 N -3.22 3.49 0.19 9.09 5.36 -1.26 -0.96 117.98 130.67 2qam s PHE 130 Ca 0.29 0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 56.51 2qam s PHE 130 Cb 0.06 -1.79 -0.03 0.00 -0.34 0.00 0.00 43.02 40.92 2qam s PHE 130 CO 0.14 0.61 0.19 0.08 -1.46 0.00 0.00 175.22 174.79 2qam s VAL 131 N -1.37 0.03 0.39 3.12 1.01 -1.18 -4.92 120.40 117.47 2qam s VAL 131 Ca 0.29 -1.79 0.07 0.00 0.00 0.00 0.00 61.98 60.55 2qam s VAL 131 Cb -0.13 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 2qam s VAL 131 CO 0.21 -0.15 -0.00 0.42 0.00 0.00 0.00 175.10 175.58 2qam s THR 132 N -4.08 1.92 0.09 3.92 -4.23 -1.26 -3.88 115.64 108.11 2qam s THR 132 Ca 0.30 -2.03 -0.33 0.00 -1.18 0.00 0.00 61.69 58.44 2qam s THR 132 Cb 0.05 -2.91 -0.16 0.00 1.34 0.00 0.00 72.50 70.83 2qam s THR 132 CO 0.07 -0.04 1.60 0.50 -0.54 0.00 0.00 174.62 176.21 2qam h LYS 133 N 1.87 -0.86 -3.83 3.99 3.64 -1.71 -3.42 116.57 116.24 2qam h LYS 133 Ca -0.43 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2qam h LYS 133 Cb 1.24 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2qam h LYS 133 CO 0.78 -0.57 -0.92 2.41 -2.27 0.00 0.00 179.45 178.87 2qam n THR 134 N -5.51 -5.46 -0.31 1.00 -1.04 -1.26 -4.49 114.28 97.21 2qam n THR 134 Ca -0.12 2.48 0.17 0.00 -2.04 0.00 0.00 64.05 64.55 2qam n THR 134 Cb 0.41 -3.35 0.43 0.00 -1.82 0.00 0.00 70.33 65.99 2qam n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qam h VAL 135 N 2.20 0.66 0.00 12.58 2.07 -1.99 -3.49 116.25 128.28 2qam h VAL 135 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qam h VAL 135 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2qam h VAL 135 CO 0.00 0.10 0.00 0.23 0.02 0.00 0.00 177.57 177.92