#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inn h GLU 8 N 0.00 0.00 -1.80 5.55 4.11 -1.91 -2.50 114.58 118.03 1inn h GLU 8 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1inn h GLU 8 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 1inn h GLU 8 CO 0.00 0.94 -0.55 0.45 0.07 0.00 0.00 179.01 179.92 1inn s SER 9 N -6.68 0.63 0.51 3.06 0.15 -1.26 -3.99 113.70 106.12 1inn s SER 9 Ca 0.01 -0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.03 1inn s SER 9 Cb 0.10 0.99 -0.06 0.00 -1.71 0.00 0.00 66.02 65.34 1inn s SER 9 CO 0.81 -0.36 1.31 -0.36 1.20 0.00 0.00 173.24 175.85 1inn s PHE 10 N 2.51 2.46 -1.10 3.44 0.08 -0.91 -4.91 117.98 119.55 1inn s PHE 10 Ca 0.10 1.41 -0.20 0.00 0.12 0.00 0.00 56.93 58.35 1inn s PHE 10 Cb -0.13 -3.70 0.08 0.00 -0.57 0.00 0.00 43.02 38.70 1inn s PHE 10 CO -0.30 -2.54 1.48 -0.51 -0.10 0.00 0.00 175.22 173.26 1inn s ASP 11 N -1.02 6.66 0.08 1.36 1.11 -1.26 -4.99 116.67 118.61 1inn s ASP 11 Ca 0.69 -1.94 -0.30 0.00 0.18 0.00 0.00 52.55 51.17 1inn s ASP 11 Cb -0.38 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.03 1inn s ASP 11 CO 0.45 -1.29 0.98 -0.22 1.18 0.00 0.00 175.17 176.27 1inn s LEU 12 N 4.16 4.46 -0.54 1.23 2.96 -1.26 -1.56 118.68 128.12 1inn s LEU 12 Ca 0.46 1.77 -0.23 0.00 -0.22 0.00 0.00 54.13 55.91 1inn s LEU 12 Cb 0.00 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.15 1inn s LEU 12 CO -0.04 -0.14 0.87 -0.62 -1.32 0.00 0.00 176.35 175.10 1inn s ASP 13 N 0.31 6.32 0.09 3.68 -1.08 -0.17 -4.76 116.67 121.05 1inn s ASP 13 Ca 0.49 -0.47 0.17 0.00 -0.52 0.00 0.00 52.55 52.21 1inn s ASP 13 Cb -0.23 -2.40 0.71 0.00 -1.46 0.00 0.00 42.92 39.54 1inn s ASP 13 CO 0.30 -1.15 1.52 1.41 0.52 0.00 0.00 175.17 177.76 1inn n HIS 14 N 7.17 0.27 1.34 -5.34 8.25 -1.26 -2.36 115.22 123.29 1inn n HIS 14 Ca -0.00 0.11 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 1inn n HIS 14 Cb 0.47 -0.67 0.45 0.00 1.12 0.00 0.00 29.99 31.35 1inn n HIS 14 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1inn n THR 15 N -1.75 0.00 0.25 1.59 -2.24 -1.26 -4.17 114.28 106.70 1inn n THR 15 Ca 0.03 -0.16 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 1inn n THR 15 Cb 0.17 0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1inn n THR 15 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1inn n LYS 16 N -0.42 0.98 -1.70 -0.78 4.76 -1.00 -5.01 118.16 114.98 1inn n LYS 16 Ca 0.15 -0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 1inn n LYS 16 Cb 0.34 -1.32 0.10 0.00 -1.84 0.00 0.00 35.03 32.31 1inn n LYS 16 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1inn s VAL 17 N -2.88 2.43 -0.34 -0.18 -7.23 -1.25 -5.04 120.40 105.91 1inn s VAL 17 Ca -0.02 0.14 -0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1inn s VAL 17 Cb 0.11 -3.00 0.11 0.00 0.56 0.00 0.00 36.38 34.15 1inn s VAL 17 CO 0.65 -0.18 0.13 -0.54 -0.31 0.00 0.00 175.10 174.85 1inn s LYS 18 N -5.36 0.83 0.55 4.82 -0.14 -1.26 -4.98 119.74 114.20 1inn s LYS 18 Ca 0.62 -1.29 -0.18 0.00 -1.36 0.00 0.00 55.97 53.76 1inn s LYS 18 Cb -0.13 -2.03 -0.06 0.00 -1.68 0.00 0.00 37.83 33.93 1inn s LYS 18 CO 0.52 -1.04 1.07 0.00 -0.76 0.00 0.00 175.35 175.14 1inn s ALA 19 N 1.32 2.77 0.35 5.17 0.00 -1.26 -4.37 121.76 125.73 1inn s ALA 19 Ca 0.12 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.50 1inn s ALA 19 Cb -0.19 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1inn s ALA 19 CO -0.18 -0.63 0.76 -1.25 0.00 0.00 0.00 175.76 174.46 1inn s PRO 20 N -3.60 3.96 0.33 0.00 0.04 -1.26 -4.85 135.00 129.62 1inn s PRO 20 Ca 0.67 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1inn s PRO 20 Cb -0.18 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 32.01 1inn s PRO 20 CO 0.29 0.09 0.78 1.52 0.04 0.00 0.00 177.00 179.72 1inn s TYR 21 N -2.11 -0.00 -0.06 0.56 -0.85 -0.69 -3.85 117.35 110.35 1inn s TYR 21 Ca 0.54 -0.57 0.05 0.00 -0.52 0.00 0.00 57.07 56.57 1inn s TYR 21 Cb -0.10 0.78 -0.00 0.00 0.38 0.00 0.00 41.96 43.02 1inn s TYR 21 CO 0.21 -1.40 -0.21 0.08 -1.52 0.00 0.00 175.55 172.71 1inn s VAL 22 N -2.91 1.78 -0.08 -3.49 1.01 -0.61 -1.24 120.40 114.85 1inn s VAL 22 Ca 0.14 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1inn s VAL 22 Cb -0.05 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1inn s VAL 22 CO 0.09 0.50 0.20 -0.60 0.00 0.00 0.00 175.10 175.29 1inn s ARG 23 N 0.08 0.18 -0.17 2.72 3.52 -0.77 -1.13 118.95 123.38 1inn s ARG 23 Ca -0.08 0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.61 1inn s ARG 23 Cb -0.14 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 1inn s ARG 23 CO 0.04 -0.11 1.57 -1.17 -0.81 0.00 0.00 175.30 174.82 1inn s LEU 24 N 0.82 4.04 0.11 -0.88 2.96 -1.26 -0.46 118.68 124.00 1inn s LEU 24 Ca -0.06 1.77 0.23 0.00 -0.22 0.00 0.00 54.13 55.86 1inn s LEU 24 Cb -0.07 -3.53 0.19 0.00 0.50 0.00 0.00 46.19 43.27 1inn s LEU 24 CO -0.05 -1.10 1.17 0.00 -1.32 0.00 0.00 176.35 175.05 1inn n ALA 25 N 7.84 3.01 0.00 5.97 0.00 0.14 -4.89 120.51 132.58 1inn n ALA 25 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1inn n ALA 25 Cb 0.45 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1inn n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1inn n GLY 26 N 1.32 1.44 2.97 0.00 0.00 -1.20 -2.14 105.19 107.58 1inn n GLY 26 Ca 0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1inn n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1inn s VAL 27 N -2.00 -0.04 -0.09 1.61 1.01 -0.94 -0.91 120.40 119.04 1inn s VAL 27 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1inn s VAL 27 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1inn s VAL 27 CO 0.00 0.06 -0.19 -0.75 0.00 0.00 0.00 175.10 174.21 1inn s LYS 28 N 0.96 2.91 -0.07 2.72 2.20 -0.08 -4.14 119.74 124.24 1inn s LYS 28 Ca -0.07 -0.80 -0.17 0.00 -0.36 0.00 0.00 55.97 54.57 1inn s LYS 28 Cb -0.09 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.81 1inn s LYS 28 CO -0.05 0.33 0.45 0.99 -0.36 0.00 0.00 175.35 176.71 1inn s THR 29 N 0.01 5.11 0.55 3.43 2.01 -1.26 -0.90 115.64 124.59 1inn s THR 29 Ca -0.07 0.92 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 1inn s THR 29 Cb -0.15 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1inn s THR 29 CO 0.05 0.42 0.83 0.42 -0.69 0.00 0.00 174.62 175.66 1inn s THR 30 N -0.03 3.77 0.48 -0.82 -4.23 0.32 -4.95 115.64 110.18 1inn s THR 30 Ca 0.25 -0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.84 1inn s THR 30 Cb -0.16 -3.46 0.39 0.00 1.34 0.00 0.00 72.50 70.61 1inn s THR 30 CO 0.12 -0.43 1.94 -0.65 -0.54 0.00 0.00 174.62 175.05 1inn h PRO 31 N -0.01 0.20 -0.00 3.99 0.11 -1.98 -0.62 132.00 133.69 1inn h PRO 31 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1inn h PRO 31 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1inn h PRO 31 CO 0.60 0.13 -0.16 1.63 -0.21 0.00 0.00 178.00 179.99 1inn n LYS 32 N -4.42 0.56 0.00 1.05 4.76 -1.26 -4.91 118.16 113.94 1inn n LYS 32 Ca 0.14 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1inn n LYS 32 Cb 0.63 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1inn n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1inn n GLY 33 N 1.33 0.64 3.92 0.72 0.00 -0.24 -5.10 105.19 106.47 1inn n GLY 33 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1inn n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1inn s ASP 34 N -2.31 3.39 0.04 1.61 1.01 -1.26 -4.76 116.67 114.40 1inn s ASP 34 Ca 0.00 0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.69 1inn s ASP 34 Cb 0.00 -0.53 -0.02 0.00 1.01 0.00 0.00 42.92 43.38 1inn s ASP 34 CO 0.00 -2.57 -0.13 -1.10 0.21 0.00 0.00 175.17 171.57 1inn s GLN 35 N -5.82 0.87 -0.19 8.23 -0.21 -1.26 -0.52 119.66 120.76 1inn s GLN 35 Ca 0.71 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1inn s GLN 35 Cb -0.05 -0.86 0.02 0.00 1.00 0.00 0.00 33.01 33.11 1inn s GLN 35 CO 0.52 0.21 -0.17 0.42 -2.12 0.00 0.00 175.29 174.15 1inn s ILE 36 N -0.94 2.33 -0.10 1.08 -1.09 -0.08 -1.06 121.20 121.35 1inn s ILE 36 Ca 0.00 -0.87 -0.05 0.00 -2.23 0.00 0.00 60.65 57.50 1inn s ILE 36 Cb -0.08 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1inn s ILE 36 CO 0.01 0.50 0.10 -0.44 -1.23 0.00 0.00 174.94 173.88 1inn s SER 37 N 1.32 6.02 -0.07 3.58 0.01 -0.01 -0.90 113.70 123.66 1inn s SER 37 Ca 0.05 0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1inn s SER 37 Cb -0.13 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 1inn s SER 37 CO -0.11 0.38 -0.11 -0.54 0.41 0.00 0.00 173.24 173.28 1inn s LYS 38 N -1.09 2.71 0.04 12.44 1.02 -0.09 -0.47 119.74 134.31 1inn s LYS 38 Ca 0.16 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.58 1inn s LYS 38 Cb -0.12 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1inn s LYS 38 CO 0.05 0.59 -0.17 0.71 -0.92 0.00 0.00 175.35 175.61 1inn s TYR 39 N -0.63 1.50 -0.44 3.18 2.02 -1.26 0.28 117.35 122.00 1inn s TYR 39 Ca 0.09 -0.36 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 1inn s TYR 39 Cb -0.11 -0.89 0.07 0.00 -0.40 0.00 0.00 41.96 40.63 1inn s TYR 39 CO 0.01 0.07 0.31 0.34 -1.57 0.00 0.00 175.55 174.71 1inn s ASP 40 N -1.18 5.85 -0.82 2.29 -1.08 0.39 -4.39 116.67 117.72 1inn s ASP 40 Ca 0.04 -1.39 -0.15 0.00 -0.52 0.00 0.00 52.55 50.53 1inn s ASP 40 Cb -0.08 -2.07 0.21 0.00 -1.46 0.00 0.00 42.92 39.52 1inn s ASP 40 CO 0.02 -0.57 0.79 -0.76 0.52 0.00 0.00 175.17 175.17 1inn s LEU 41 N 1.52 6.55 -0.25 -1.34 1.43 -1.26 -1.84 118.68 123.49 1inn s LEU 41 Ca 0.03 -2.58 -0.26 0.00 -1.03 0.00 0.00 54.13 50.29 1inn s LEU 41 Cb -0.23 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1inn s LEU 41 CO 0.04 -0.64 0.91 -0.60 0.23 0.00 0.00 176.35 176.30 1inn s ARG 42 N 0.50 4.19 -0.20 1.70 6.06 -0.37 -4.44 118.95 126.38 1inn s ARG 42 Ca 0.19 1.07 -0.19 0.00 -2.50 0.00 0.00 55.73 54.30 1inn s ARG 42 Cb -0.11 -3.66 -0.20 0.00 0.06 0.00 0.00 34.95 31.05 1inn s ARG 42 CO -0.08 -0.59 0.19 1.19 -2.50 0.00 0.00 175.30 173.50 1inn n PHE 43 N 6.18 0.97 -4.33 5.12 0.99 0.01 -1.70 117.46 124.70 1inn n PHE 43 Ca 0.08 0.38 -0.28 0.00 -0.00 0.00 0.00 57.45 57.63 1inn n PHE 43 Cb 0.47 -1.10 -0.10 0.00 -1.00 0.00 0.00 39.48 37.74 1inn n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1inn s LEU 44 N -7.71 2.76 0.10 4.37 1.43 -0.32 -4.25 118.68 115.05 1inn s LEU 44 Ca -0.29 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 51.86 1inn s LEU 44 Cb 0.07 -1.50 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 1inn s LEU 44 CO 0.61 0.13 1.58 -1.58 0.23 0.00 0.00 176.35 177.32 1inn s GLN 45 N -2.59 4.22 -0.06 1.70 2.00 -1.26 -4.82 119.66 118.85 1inn s GLN 45 Ca 0.22 2.28 -0.39 0.00 -2.00 0.00 0.00 55.36 55.47 1inn s GLN 45 Cb -0.09 -3.43 -0.17 0.00 0.80 0.00 0.00 33.01 30.12 1inn s GLN 45 CO 0.12 -0.65 1.42 -2.30 -0.50 0.00 0.00 175.29 173.38 1inn n PRO 46 N 4.94 0.91 -2.36 1.67 -0.02 -1.26 -2.24 135.00 136.64 1inn n PRO 46 Ca 0.15 0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 61.78 1inn n PRO 46 Cb 0.40 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1inn n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1inn n ASN 47 N 3.20 -5.12 -0.10 2.55 3.02 -1.26 -4.87 115.26 112.67 1inn n ASN 47 Ca 0.21 -0.03 0.04 0.00 -0.03 0.00 0.00 54.58 54.77 1inn n ASN 47 Cb 0.14 -4.20 0.05 0.00 -0.61 0.00 0.00 39.78 35.17 1inn n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1inn n GLN 48 N -2.71 1.51 0.00 3.52 1.13 -0.95 -5.08 117.38 114.80 1inn n GLN 48 Ca -0.20 -1.68 0.00 0.00 -1.94 0.00 0.00 57.00 53.18 1inn n GLN 48 Cb 0.65 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.97 1inn n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1inn n GLY 49 N -0.70 4.05 3.18 1.08 0.00 -1.26 -4.98 105.19 106.56 1inn n GLY 49 Ca 0.06 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 1inn n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1inn s ALA 50 N -2.05 1.01 0.06 4.61 0.00 -1.26 -4.82 121.76 119.30 1inn s ALA 50 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1inn s ALA 50 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1inn s ALA 50 CO 0.00 -0.26 0.91 0.42 0.00 0.00 0.00 175.76 176.83 1inn s ILE 51 N -3.66 4.66 0.44 0.00 1.01 0.26 -5.01 121.20 118.90 1inn s ILE 51 Ca 0.14 1.95 -0.25 0.00 0.00 0.00 0.00 60.65 62.49 1inn s ILE 51 Cb 0.06 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 1inn s ILE 51 CO -0.03 0.28 1.20 -0.67 0.00 0.00 0.00 174.94 175.72 1inn n ASP 52 N 3.11 2.14 -0.28 3.58 2.03 -1.26 -4.73 116.55 121.15 1inn n ASP 52 Ca 0.02 1.06 0.12 0.00 0.52 0.00 0.00 54.79 56.52 1inn n ASP 52 Cb 0.50 -1.46 0.38 0.00 -0.72 0.00 0.00 41.12 39.81 1inn n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1inn h PRO 53 N 1.81 0.67 -0.34 -0.67 0.11 -1.98 -0.82 132.00 130.79 1inn h PRO 53 Ca -0.47 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1inn h PRO 53 Cb 1.31 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1inn h PRO 53 CO 0.58 0.44 -0.42 0.00 -0.21 0.00 0.00 178.00 178.40 1inn h ALA 54 N 1.60 0.50 -0.61 -0.75 0.00 -1.91 -1.64 119.26 116.45 1inn h ALA 54 Ca 0.46 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1inn h ALA 54 Cb 0.76 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1inn h ALA 54 CO -0.22 0.63 0.11 0.00 0.00 0.00 0.00 179.25 179.77 1inn h ALA 55 N 0.73 1.04 0.00 0.00 0.00 -1.60 -1.57 119.26 117.86 1inn h ALA 55 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1inn h ALA 55 Cb 1.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1inn h ALA 55 CO 0.10 0.62 -0.59 0.97 0.00 0.00 0.00 179.25 180.35 1inn h ILE 56 N 0.93 1.16 -0.38 0.00 2.10 -1.09 -1.56 117.51 118.67 1inn h ILE 56 Ca 0.19 -2.22 -0.07 0.00 1.08 0.00 0.00 64.86 63.84 1inn h ILE 56 Cb 0.39 2.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1inn h ILE 56 CO 0.01 0.57 -0.05 -0.74 -1.08 0.00 0.00 178.15 176.86 1inn h HIS 57 N 0.00 0.79 -0.34 2.19 2.76 -1.03 -1.48 115.15 118.04 1inn h HIS 57 Ca -0.01 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 57.89 1inn h HIS 57 Cb 1.25 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 1inn h HIS 57 CO 0.00 0.83 -0.27 1.15 -1.30 0.00 0.00 177.93 178.34 1inn h THR 58 N 0.52 1.28 -0.82 6.26 2.02 -1.12 -2.30 112.91 118.75 1inn h THR 58 Ca 0.10 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1inn h THR 58 Cb 0.55 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1inn h THR 58 CO 0.03 0.45 0.45 -0.07 0.37 0.00 0.00 175.52 176.75 1inn h LEU 59 N 0.59 1.02 -0.09 2.58 3.38 -1.16 -0.76 115.31 120.87 1inn h LEU 59 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1inn h LEU 59 Cb 0.76 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1inn h LEU 59 CO 0.06 0.82 0.04 -0.08 0.09 0.00 0.00 178.44 179.37 1inn h GLU 60 N 1.14 0.14 -0.43 1.13 4.81 -0.98 0.12 114.58 120.52 1inn h GLU 60 Ca 0.29 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1inn h GLU 60 Cb 0.02 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1inn h GLU 60 CO -0.05 0.25 0.20 0.45 -0.73 0.00 0.00 179.01 179.13 1inn h HIS 61 N -0.00 0.37 -0.09 0.92 3.86 -0.88 -0.67 115.15 118.66 1inn h HIS 61 Ca 0.03 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1inn h HIS 61 Cb 0.16 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1inn h HIS 61 CO -0.02 0.19 -0.06 -0.07 0.86 0.00 0.00 177.93 178.82 1inn h LEU 62 N 0.41 0.22 -1.16 2.43 3.38 -1.03 -3.26 115.31 116.31 1inn h LEU 62 Ca 0.19 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1inn h LEU 62 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1inn h LEU 62 CO -0.14 0.62 -0.37 -0.07 0.09 0.00 0.00 178.44 178.57 1inn h LEU 63 N -0.18 0.00 -0.89 1.67 3.38 -0.72 -0.38 115.31 118.20 1inn h LEU 63 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1inn h LEU 63 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1inn h LEU 63 CO 0.02 0.37 0.55 0.00 0.09 0.00 0.00 178.44 179.47 1inn h ALA 64 N 1.63 1.23 0.00 1.53 0.00 -1.16 -3.07 119.26 119.42 1inn h ALA 64 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1inn h ALA 64 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1inn h ALA 64 CO 0.05 0.30 -0.20 0.78 0.00 0.00 0.00 179.25 180.18 1inn h GLY 65 N 1.01 0.00 -2.49 0.00 0.00 -1.53 -3.30 103.07 96.75 1inn h GLY 65 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1inn h GLY 65 CO -0.18 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.64 1inn n TYR 66 N -4.60 0.00 0.00 5.60 0.53 -0.18 -1.81 117.16 116.70 1inn n TYR 66 Ca -0.12 -0.07 0.00 0.00 -1.02 0.00 0.00 57.90 56.69 1inn n TYR 66 Cb 0.46 -0.16 0.00 0.00 -1.03 0.00 0.00 39.34 38.61 1inn n TYR 66 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1inn n ARG 68 N 1.20 0.00 0.22 -0.72 1.74 -1.25 -2.74 116.66 115.12 1inn n ARG 68 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1inn n ARG 68 Cb 0.06 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 31.90 1inn n ARG 68 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1inn h ASP 69 N 0.00 0.00 -0.00 0.55 3.32 -1.68 -3.31 116.42 115.30 1inn h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1inn h ASP 69 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1inn h ASP 69 CO 0.00 0.20 -0.10 1.41 -1.72 0.00 0.00 179.24 179.03 1inn n HIS 70 N -3.30 0.00 -3.76 4.55 8.25 -1.11 -5.01 115.22 114.84 1inn n HIS 70 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1inn n HIS 70 Cb 0.46 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.44 1inn n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1inn s LEU 71 N -1.24 0.77 0.49 2.41 2.96 -1.25 -4.79 118.68 118.04 1inn s LEU 71 Ca 0.05 0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1inn s LEU 71 Cb 0.04 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.32 1inn s LEU 71 CO 0.13 -0.13 0.79 -1.61 -1.32 0.00 0.00 176.35 174.21 1inn s GLU 72 N 0.85 3.50 -0.48 1.98 2.02 -1.26 -4.41 118.70 120.90 1inn s GLU 72 Ca -0.06 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.11 1inn s GLU 72 Cb -0.08 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1inn s GLU 72 CO -0.05 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1inn n GLY 73 N -2.28 0.71 3.69 -1.39 0.00 -1.26 -4.74 105.19 99.91 1inn n GLY 73 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1inn n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1inn s VAL 74 N -2.03 3.61 -0.13 1.61 1.01 -1.26 0.41 120.40 123.62 1inn s VAL 74 Ca 0.00 1.00 0.05 0.00 0.00 0.00 0.00 61.98 63.03 1inn s VAL 74 Cb 0.00 -3.64 -0.24 0.00 0.00 0.00 0.00 36.38 32.50 1inn s VAL 74 CO 0.00 -0.00 0.32 0.52 0.00 0.00 0.00 175.10 175.94 1inn n VAL 75 N 4.67 1.62 -3.59 2.92 0.31 0.73 -4.92 118.33 120.06 1inn n VAL 75 Ca 0.13 -0.72 -0.11 0.00 -0.01 0.00 0.00 64.34 63.63 1inn n VAL 75 Cb 0.43 -1.26 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 1inn n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1inn s ASP 76 N -6.41 -0.46 -0.17 4.52 2.15 -1.18 -4.98 116.67 110.14 1inn s ASP 76 Ca -0.17 0.66 -0.02 0.00 0.43 0.00 0.00 52.55 53.46 1inn s ASP 76 Cb 0.07 0.59 0.05 0.00 -0.30 0.00 0.00 42.92 43.33 1inn s ASP 76 CO 0.77 -0.32 0.00 -0.69 -0.17 0.00 0.00 175.17 174.76 1inn s VAL 77 N -0.61 0.75 0.05 1.11 1.01 -1.26 -2.05 120.40 119.40 1inn s VAL 77 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1inn s VAL 77 Cb -0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1inn s VAL 77 CO 0.00 -0.05 -0.04 -0.44 0.00 0.00 0.00 175.10 174.57 1inn s SER 78 N 1.77 0.58 0.00 3.32 0.01 -0.16 -4.85 113.70 114.37 1inn s SER 78 Ca -0.00 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1inn s SER 78 Cb -0.16 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1inn s SER 78 CO -0.07 -0.47 0.00 -0.81 0.41 0.00 0.00 173.24 172.30 1inn n PRO 79 N 0.56 2.44 -0.10 12.44 -0.04 -1.26 0.14 135.00 149.18 1inn n PRO 79 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1inn n PRO 79 Cb 0.59 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.90 1inn n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1inn n GLY 81 N 3.43 -0.92 0.00 0.55 0.00 -1.26 -4.69 105.19 102.30 1inn n GLY 81 Ca 0.00 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1inn n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1inn n ARG 83 N -1.48 -2.24 -0.06 0.00 1.74 -1.26 -4.80 116.66 108.56 1inn n ARG 83 Ca 0.07 0.89 0.05 0.00 -0.77 0.00 0.00 57.85 58.09 1inn n ARG 83 Cb 0.28 -5.57 0.08 0.00 -1.02 0.00 0.00 32.46 26.23 1inn n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1inn n THR 84 N -3.93 0.37 0.00 0.55 -2.24 -1.26 -0.58 114.28 107.19 1inn n THR 84 Ca -0.20 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1inn n THR 84 Cb 0.66 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1inn n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1inn n GLY 85 N 0.57 -0.65 3.66 3.38 0.00 -1.26 -0.81 105.19 110.07 1inn n GLY 85 Ca 0.08 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1inn n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1inn s TYR 87 N -0.87 0.59 -0.28 1.61 6.14 0.12 -4.69 117.35 119.97 1inn s TYR 87 Ca 0.00 -1.05 -0.19 0.00 0.64 0.00 0.00 57.07 56.47 1inn s TYR 87 Cb 0.00 0.40 0.08 0.00 0.42 0.00 0.00 41.96 42.86 1inn s TYR 87 CO 0.00 -1.37 0.72 0.00 0.64 0.00 0.00 175.55 175.53 1inn s ALA 89 N -2.63 -1.86 0.00 3.97 0.00 -0.87 -0.98 121.76 119.40 1inn s ALA 89 Ca 0.23 2.27 0.03 0.00 0.00 0.00 0.00 51.96 54.49 1inn s ALA 89 Cb -0.03 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1inn s ALA 89 CO 0.16 -0.36 -0.11 0.08 0.00 0.00 0.00 175.76 175.53 1inn s VAL 90 N 1.14 0.85 -0.24 0.00 1.01 0.38 -0.19 120.40 123.34 1inn s VAL 90 Ca -0.06 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1inn s VAL 90 Cb -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1inn s VAL 90 CO -0.12 0.16 0.98 -0.63 0.00 0.00 0.00 175.10 175.49 1inn s ILE 91 N -0.40 4.72 0.00 2.22 1.01 0.17 -0.83 121.20 128.08 1inn s ILE 91 Ca 0.03 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.57 1inn s ILE 91 Cb -0.05 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1inn s ILE 91 CO -0.00 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1inn n GLY 92 N 3.46 3.84 3.72 6.18 0.00 -0.22 -4.65 105.19 117.51 1inn n GLY 92 Ca 0.10 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1inn n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1inn s GLU 93 N -2.58 1.84 0.29 1.61 8.01 -1.26 -3.66 118.70 122.95 1inn s GLU 93 Ca 0.00 1.50 -0.30 0.00 0.01 0.00 0.00 54.97 56.18 1inn s GLU 93 Cb 0.00 -1.82 -0.12 0.00 -4.31 0.00 0.00 34.13 27.88 1inn s GLU 93 CO 0.00 -2.01 1.58 -2.30 0.01 0.00 0.00 175.26 172.54 1inn n PRO 94 N -3.43 2.65 -2.91 0.39 -0.02 -1.26 -4.91 135.00 125.51 1inn n PRO 94 Ca 0.11 0.94 -0.14 0.00 -2.02 0.00 0.00 63.50 62.40 1inn n PRO 94 Cb 0.52 -2.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1inn n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1inn n ASP 95 N 2.07 -1.58 -0.36 2.55 2.03 -1.26 -5.01 116.55 114.99 1inn n ASP 95 Ca 0.08 -3.17 0.08 0.00 0.52 0.00 0.00 54.79 52.30 1inn n ASP 95 Cb 0.36 0.92 0.25 0.00 -0.72 0.00 0.00 41.12 41.94 1inn n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1inn h GLU 96 N 3.73 0.93 -0.19 -0.67 5.08 -1.98 -0.00 114.58 121.48 1inn h GLU 96 Ca -0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1inn h GLU 96 Cb 0.99 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1inn h GLU 96 CO 0.35 0.61 0.03 0.37 -1.00 0.00 0.00 179.01 179.38 1inn h GLN 97 N 0.95 0.31 -0.63 2.33 5.75 -1.98 -2.96 115.11 118.87 1inn h GLN 97 Ca 0.51 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.88 1inn h GLN 97 Cb 0.56 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 1inn h GLN 97 CO -0.29 0.46 0.19 0.78 -2.65 0.00 0.00 178.83 177.33 1inn h GLY 98 N 0.10 1.04 -2.16 2.39 0.00 -1.82 -2.20 103.07 100.43 1inn h GLY 98 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1inn h GLY 98 CO 0.00 0.56 0.00 -0.62 0.00 0.00 0.00 176.54 176.48 1inn n VAL 99 N -4.27 0.46 0.00 4.60 0.31 -0.07 -1.75 118.33 117.61 1inn n VAL 99 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1inn n VAL 99 Cb 0.22 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1inn n VAL 99 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1inn n LYS 101 N 0.89 0.00 -0.17 5.55 4.76 -0.83 -0.39 118.16 127.98 1inn n LYS 101 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1inn n LYS 101 Cb 0.21 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 1inn n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1inn h ALA 102 N 0.00 0.65 -0.70 7.82 0.00 -1.61 -1.45 119.26 123.97 1inn h ALA 102 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1inn h ALA 102 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1inn h ALA 102 CO 0.00 0.45 0.22 0.35 0.00 0.00 0.00 179.25 180.27 1inn h PHE 103 N 0.71 1.12 -0.21 0.00 3.57 -0.99 -0.29 116.94 120.86 1inn h PHE 103 Ca 0.14 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1inn h PHE 103 Cb 0.49 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1inn h PHE 103 CO 0.04 0.90 0.12 1.49 -2.23 0.00 0.00 178.31 178.62 1inn h GLU 104 N 1.03 0.29 -0.55 1.11 4.81 -1.74 0.77 114.58 120.30 1inn h GLU 104 Ca 0.23 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1inn h GLU 104 Cb 0.30 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1inn h GLU 104 CO -0.01 0.26 0.30 0.00 -0.73 0.00 0.00 179.01 178.83 1inn h ALA 105 N 1.01 0.70 -0.20 2.92 0.00 -1.00 -1.59 119.26 121.10 1inn h ALA 105 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1inn h ALA 105 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1inn h ALA 105 CO -0.01 0.22 -0.14 0.00 0.00 0.00 0.00 179.25 179.31 1inn h ALA 106 N 1.13 1.39 -0.15 0.00 0.00 -0.81 -1.87 119.26 118.96 1inn h ALA 106 Ca 0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1inn h ALA 106 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1inn h ALA 106 CO -0.03 0.42 -0.47 -0.07 0.00 0.00 0.00 179.25 179.10 1inn h LEU 107 N 0.31 0.40 -0.63 0.00 3.38 -0.34 -0.79 115.31 117.65 1inn h LEU 107 Ca 0.06 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1inn h LEU 107 Cb 0.44 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1inn h LEU 107 CO 0.03 0.82 -0.20 0.11 0.09 0.00 0.00 178.44 179.28 1inn h LYS 108 N 0.30 0.86 -0.76 1.13 1.57 -0.75 0.97 116.57 119.89 1inn h LYS 108 Ca 0.02 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1inn h LYS 108 Cb 0.95 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1inn h LYS 108 CO 0.08 0.99 0.31 -0.44 -0.57 0.00 0.00 179.45 179.82 1inn h ASP 109 N 0.75 1.04 -0.28 0.86 3.45 -1.12 -2.23 116.42 118.90 1inn h ASP 109 Ca 0.11 -0.17 -0.07 0.00 0.43 0.00 0.00 57.03 57.33 1inn h ASP 109 Cb 0.74 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 1inn h ASP 109 CO 0.06 0.92 -0.08 0.74 -1.57 0.00 0.00 179.24 179.31 1inn h THR 110 N 1.09 1.29 -0.52 0.35 2.02 -0.73 -2.22 112.91 114.19 1inn h THR 110 Ca 0.25 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1inn h THR 110 Cb 0.20 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1inn h THR 110 CO -0.02 0.36 0.29 0.00 0.37 0.00 0.00 175.52 176.52 1inn h ALA 111 N 0.77 1.54 -0.57 6.16 0.00 -0.66 -2.43 119.26 124.07 1inn h ALA 111 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1inn h ALA 111 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1inn h ALA 111 CO 0.03 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1inn n GLY 112 N -1.32 1.79 3.55 0.00 0.00 -0.85 -4.88 105.19 103.48 1inn n GLY 112 Ca 0.04 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1inn n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1inn s HIS 113 N -1.33 2.03 -0.93 1.61 2.46 -0.84 -4.79 115.29 113.50 1inn s HIS 113 Ca 0.39 0.25 0.15 0.00 0.47 0.00 0.00 55.06 56.32 1inn s HIS 113 Cb 0.21 -4.38 0.51 0.00 -0.13 0.00 0.00 32.58 28.79 1inn s HIS 113 CO 0.25 -2.12 1.43 -0.40 -2.47 0.00 0.00 174.74 171.43 1inn n ASP 114 N 11.01 3.79 -5.01 9.88 5.68 -1.26 -4.97 116.55 135.66 1inn n ASP 114 Ca 0.16 -2.35 -0.17 0.00 -0.50 0.00 0.00 54.79 51.92 1inn n ASP 114 Cb 0.50 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 40.07 1inn n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1inn s GLN 115 N -1.64 2.77 0.78 0.11 1.11 -1.26 -5.07 119.66 116.46 1inn s GLN 115 Ca 0.38 -1.27 -0.14 0.00 0.01 0.00 0.00 55.36 54.34 1inn s GLN 115 Cb 0.24 -2.74 0.05 0.00 -1.01 0.00 0.00 33.01 29.55 1inn s GLN 115 CO 0.19 -0.35 1.05 -2.30 0.01 0.00 0.00 175.29 173.89 1inn n PRO 116 N -1.91 0.29 -2.15 2.91 -0.02 -1.26 -4.90 135.00 127.97 1inn n PRO 116 Ca 0.09 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1inn n PRO 116 Cb 0.59 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1inn n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1inn s ILE 117 N -2.01 3.60 0.61 4.25 1.01 -1.26 -4.97 121.20 122.44 1inn s ILE 117 Ca 0.72 0.95 -0.19 0.00 0.00 0.00 0.00 60.65 62.14 1inn s ILE 117 Cb -0.31 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1inn s ILE 117 CO 0.52 -0.02 1.25 -2.84 0.00 0.00 0.00 174.94 173.85 1inn s PRO 118 N 2.75 2.81 -1.60 2.79 0.02 -1.26 -3.39 135.00 137.12 1inn s PRO 118 Ca 0.66 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1inn s PRO 118 Cb -0.33 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1inn s PRO 118 CO 0.27 -1.37 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 1inn n GLY 119 N 0.68 1.25 3.33 0.52 0.00 -1.26 -4.89 105.19 104.82 1inn n GLY 119 Ca 0.14 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 1inn n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1inn s VAL 120 N -2.61 5.19 -0.01 1.61 1.01 -1.22 -3.74 120.40 120.63 1inn s VAL 120 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1inn s VAL 120 Cb 0.00 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.17 1inn s VAL 120 CO 0.00 -0.84 1.11 -0.94 0.00 0.00 0.00 175.10 174.43 1inn s SER 121 N 3.43 -0.17 0.51 3.32 1.04 -1.26 -4.98 113.70 115.59 1inn s SER 121 Ca 0.04 -0.14 0.21 0.00 0.48 0.00 0.00 55.95 56.53 1inn s SER 121 Cb -0.29 0.28 1.32 0.00 0.10 0.00 0.00 66.02 67.43 1inn s SER 121 CO 0.04 -0.50 2.09 -0.08 0.98 0.00 0.00 173.24 175.78 1inn h GLU 122 N 2.00 0.00 0.11 4.02 4.81 -1.93 -0.47 114.58 123.12 1inn h GLU 122 Ca -0.22 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.73 1inn h GLU 122 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1inn h GLU 122 CO 0.27 0.10 -1.31 -0.07 -0.73 0.00 0.00 179.01 177.27 1inn h LEU 123 N 0.00 0.36 -0.26 1.64 3.38 -1.95 -3.39 115.31 115.10 1inn h LEU 123 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1inn h LEU 123 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1inn h LEU 123 CO 0.01 1.33 -0.55 -0.62 0.09 0.00 0.00 178.44 178.71 1inn n GLU 124 N -3.48 2.23 -4.19 1.13 1.02 -1.05 -5.00 120.64 111.30 1inn n GLU 124 Ca -0.10 -0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 56.65 1inn n GLU 124 Cb 1.02 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 31.12 1inn n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inn n GLY 126 N 2.91 -1.21 2.67 0.00 0.00 -1.26 -4.06 105.19 104.23 1inn n GLY 126 Ca -0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1inn n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1inn n ASN 127 N -1.42 -2.22 0.15 1.61 2.85 -1.26 -5.01 115.26 109.96 1inn n ASN 127 Ca 0.08 -3.41 0.11 0.00 -0.11 0.00 0.00 54.58 51.25 1inn n ASN 127 Cb 0.24 1.55 0.55 0.00 1.24 0.00 0.00 39.78 43.35 1inn n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1inn n TYR 128 N 1.01 0.76 1.05 1.20 0.18 -1.26 -1.82 117.16 118.28 1inn n TYR 128 Ca 0.10 0.36 0.13 0.00 1.88 0.00 0.00 57.90 60.36 1inn n TYR 128 Cb 0.65 -1.08 0.41 0.00 -0.38 0.00 0.00 39.34 38.95 1inn n TYR 128 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1inn n ARG 129 N -2.25 0.10 -3.23 -3.48 1.74 -1.26 -4.57 116.66 103.71 1inn n ARG 129 Ca -0.00 -0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.66 1inn n ARG 129 Cb 0.11 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1inn n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1inn n ASP 130 N -1.41 5.34 -4.20 0.55 2.03 -0.76 -5.02 116.55 113.08 1inn n ASP 130 Ca 0.07 -3.35 -0.12 0.00 0.52 0.00 0.00 54.79 51.91 1inn n ASP 130 Cb 0.33 -1.09 -0.10 0.00 -0.72 0.00 0.00 41.12 39.54 1inn n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1inn s HIS 131 N -2.39 1.03 -0.42 -0.67 3.76 -1.26 -4.51 115.29 110.82 1inn s HIS 131 Ca 0.33 -0.94 0.07 0.00 -0.15 0.00 0.00 55.06 54.37 1inn s HIS 131 Cb 0.05 -0.58 0.18 0.00 1.11 0.00 0.00 32.58 33.33 1inn s HIS 131 CO 0.03 -0.15 0.61 0.34 -0.85 0.00 0.00 174.74 174.72 1inn s ASP 132 N -3.10 -1.17 0.14 1.40 -1.08 -1.21 -4.82 116.67 106.84 1inn s ASP 132 Ca 0.16 -1.08 -0.16 0.00 -0.52 0.00 0.00 52.55 50.95 1inn s ASP 132 Cb 0.05 1.76 -0.00 0.00 -1.46 0.00 0.00 42.92 43.27 1inn s ASP 132 CO -0.01 -0.16 1.75 0.25 0.52 0.00 0.00 175.17 177.52 1inn h LEU 133 N 6.63 0.48 -0.35 -1.34 5.85 -1.94 -1.89 115.31 122.75 1inn h LEU 133 Ca 0.06 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1inn h LEU 133 Cb 1.15 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1inn h LEU 133 CO 0.10 0.42 0.01 0.00 -0.34 0.00 0.00 178.44 178.63 1inn h ALA 134 N 1.07 0.32 -0.57 1.25 0.00 -1.96 0.02 119.26 119.39 1inn h ALA 134 Ca 0.14 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1inn h ALA 134 Cb 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1inn h ALA 134 CO -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 179.25 178.82 1inn h ALA 135 N 1.29 0.88 -0.29 0.00 0.00 -1.95 -1.84 119.26 117.35 1inn h ALA 135 Ca 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1inn h ALA 135 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1inn h ALA 135 CO -0.27 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.74 1inn h ALA 136 N 1.05 0.38 -0.83 0.00 0.00 -0.89 -0.82 119.26 118.15 1inn h ALA 136 Ca 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1inn h ALA 136 Cb 0.56 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1inn h ALA 136 CO 0.03 -0.00 0.55 0.00 0.00 0.00 0.00 179.25 179.83 1inn h ARG 137 N 0.32 1.10 -0.11 0.00 3.08 -0.86 -1.97 114.38 115.93 1inn h ARG 137 Ca 0.10 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1inn h ARG 137 Cb 0.21 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1inn h ARG 137 CO -0.01 0.73 -0.45 0.37 -1.07 0.00 0.00 179.97 179.55 1inn h GLN 138 N 1.13 0.27 -0.44 0.04 5.75 -1.19 -1.35 115.11 119.32 1inn h GLN 138 Ca 0.30 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.58 1inn h GLN 138 Cb -0.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1inn h GLN 138 CO -0.07 0.67 -0.08 0.45 -2.65 0.00 0.00 178.83 177.16 1inn h HIS 139 N 0.22 0.84 -0.54 3.99 3.86 -0.50 -0.40 115.15 122.61 1inn h HIS 139 Ca 0.02 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 1inn h HIS 139 Cb 0.88 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 1inn h HIS 139 CO 0.02 0.81 -0.07 0.00 0.86 0.00 0.00 177.93 179.55 1inn h ALA 140 N 1.21 0.74 -0.60 2.45 0.00 -1.09 -2.56 119.26 119.41 1inn h ALA 140 Ca 0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1inn h ALA 140 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1inn h ALA 140 CO 0.03 0.62 0.09 -0.09 0.00 0.00 0.00 179.25 179.91 1inn h ARG 141 N 0.88 0.97 -0.61 0.00 2.43 -0.84 -2.25 114.38 114.96 1inn h ARG 141 Ca 0.15 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1inn h ARG 141 Cb 0.63 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1inn h ARG 141 CO 0.04 0.90 0.22 -0.44 -1.51 0.00 0.00 179.97 179.18 1inn h ASP 142 N 0.92 0.86 -0.34 -3.80 3.32 -0.94 -0.12 116.42 116.31 1inn h ASP 142 Ca 0.19 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1inn h ASP 142 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1inn h ASP 142 CO 0.01 0.82 0.11 0.58 -1.72 0.00 0.00 179.24 179.03 1inn h VAL 143 N 0.85 1.21 -0.79 -1.35 2.07 -1.28 -0.72 116.25 116.24 1inn h VAL 143 Ca 0.20 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1inn h VAL 143 Cb 0.25 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1inn h VAL 143 CO -0.01 0.23 0.35 -0.07 0.02 0.00 0.00 177.57 178.09 1inn h LEU 144 N 0.39 1.05 -0.46 2.57 3.38 -1.24 0.17 115.31 121.18 1inn h LEU 144 Ca 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1inn h LEU 144 Cb 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1inn h LEU 144 CO -0.00 0.91 0.18 0.44 0.09 0.00 0.00 178.44 180.06 1inn h ASP 145 N 1.14 0.64 -0.25 -0.43 3.32 -0.83 -3.01 116.42 117.00 1inn h ASP 145 Ca 0.27 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1inn h ASP 145 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1inn h ASP 145 CO -0.03 0.63 -0.37 1.56 -1.72 0.00 0.00 179.24 179.31 1inn h GLN 146 N 0.60 0.79 -0.09 3.56 4.20 -0.76 -3.50 115.11 119.92 1inn h GLN 146 Ca 0.15 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1inn h GLN 146 Cb 0.20 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1inn h GLN 146 CO -0.01 1.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.59 1inn n GLY 147 N 0.04 0.34 3.88 3.46 0.00 0.58 -5.00 105.19 108.49 1inn n GLY 147 Ca -0.02 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1inn n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1inn s LEU 148 N -0.16 3.28 0.13 0.99 1.43 -1.26 -4.58 118.68 118.50 1inn s LEU 148 Ca 0.00 1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 1inn s LEU 148 Cb 0.00 -4.25 0.06 0.00 0.03 0.00 0.00 46.19 42.03 1inn s LEU 148 CO 0.00 -0.87 0.53 -1.59 0.23 0.00 0.00 176.35 174.65 1inn s LYS 149 N -5.10 1.17 -0.28 1.70 -2.85 -1.25 -5.03 119.74 108.10 1inn s LYS 149 Ca 0.54 -0.50 -0.21 0.00 -1.00 0.00 0.00 55.97 54.80 1inn s LYS 149 Cb -0.11 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1inn s LYS 149 CO 0.51 -0.48 0.67 0.08 0.10 0.00 0.00 175.35 176.24 1inn s VAL 150 N -3.53 4.92 -0.07 1.79 1.01 -1.26 -1.58 120.40 121.68 1inn s VAL 150 Ca 0.00 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 1inn s VAL 150 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1inn s VAL 150 CO -0.11 -0.09 0.58 -1.58 0.00 0.00 0.00 175.10 173.91 1inn s GLN 151 N 2.65 4.36 0.49 2.72 2.00 -0.28 -4.93 119.66 126.66 1inn s GLN 151 Ca 0.28 0.66 -0.18 0.00 -2.00 0.00 0.00 55.36 54.12 1inn s GLN 151 Cb -0.15 -3.42 -0.09 0.00 0.80 0.00 0.00 33.01 30.15 1inn s GLN 151 CO 0.10 0.18 0.98 -1.21 -0.50 0.00 0.00 175.29 174.84 1inn s GLU 152 N 0.48 4.02 -0.23 1.67 8.01 -1.26 -4.59 118.70 126.81 1inn s GLU 152 Ca 0.31 1.04 -0.24 0.00 0.01 0.00 0.00 54.97 56.09 1inn s GLU 152 Cb -0.17 -2.15 -0.01 0.00 -4.31 0.00 0.00 34.13 27.50 1inn s GLU 152 CO 0.15 -0.21 0.81 0.99 0.01 0.00 0.00 175.26 177.00 1inn s THR 153 N -2.44 4.86 -0.36 3.63 2.01 -1.26 -4.97 115.64 117.12 1inn s THR 153 Ca 0.60 1.53 -0.12 0.00 0.31 0.00 0.00 61.69 64.02 1inn s THR 153 Cb -0.10 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1inn s THR 153 CO 0.24 -0.04 0.21 -0.63 -0.69 0.00 0.00 174.62 173.72 1inn s ILE 154 N 2.63 4.82 0.39 1.82 -1.09 -1.26 -5.06 121.20 123.46 1inn s ILE 154 Ca 0.35 -0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 57.94 1inn s ILE 154 Cb -0.16 -3.59 -0.10 0.00 -1.58 0.00 0.00 42.46 37.04 1inn s ILE 154 CO 0.08 -0.12 0.97 -0.76 -1.23 0.00 0.00 174.94 173.88 1inn s LEU 155 N 1.62 4.10 0.00 2.97 1.43 -1.26 -1.00 118.68 126.55 1inn s LEU 155 Ca 0.04 1.80 0.15 0.00 -1.03 0.00 0.00 54.13 55.09 1inn s LEU 155 Cb -0.18 -4.31 0.92 0.00 0.03 0.00 0.00 46.19 42.65 1inn s LEU 155 CO 0.08 -0.29 1.34 0.18 0.23 0.00 0.00 176.35 177.88