#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cvl s ALA 3 N 0.00 3.31 -0.19 4.31 0.00 -1.26 -0.86 121.76 127.07 2cvl s ALA 3 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 2cvl s ALA 3 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2cvl s ALA 3 CO 0.00 0.09 0.13 0.08 0.00 0.00 0.00 175.76 176.06 2cvl s VAL 4 N -0.70 5.42 -0.04 0.00 1.01 0.53 -4.95 120.40 121.67 2cvl s VAL 4 Ca 0.44 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 2cvl s VAL 4 Cb -0.25 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2cvl s VAL 4 CO 0.32 0.47 0.02 -0.75 0.00 0.00 0.00 175.10 175.15 2cvl s LYS 5 N 0.16 0.27 0.01 2.72 2.20 -1.26 -3.65 119.74 120.18 2cvl s LYS 5 Ca 0.09 0.16 -0.07 0.00 -0.36 0.00 0.00 55.97 55.79 2cvl s LYS 5 Cb -0.11 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 2cvl s LYS 5 CO -0.01 -0.22 0.13 -0.08 -0.36 0.00 0.00 175.35 174.82 2cvl s THR 6 N 1.48 0.09 -2.39 3.43 -1.32 -1.26 -5.03 115.64 110.64 2cvl s THR 6 Ca -0.03 -0.72 0.27 0.00 -1.21 0.00 0.00 61.69 60.00 2cvl s THR 6 Cb -0.13 -0.45 0.44 0.00 -1.51 0.00 0.00 72.50 70.85 2cvl s THR 6 CO -0.03 -0.39 1.64 -0.90 -2.21 0.00 0.00 174.62 172.72 2cvl n ASP 7 N 1.41 1.59 -0.19 8.08 5.68 -1.26 -3.82 116.55 128.05 2cvl n ASP 7 Ca -0.23 -1.43 0.12 0.00 -0.50 0.00 0.00 54.79 52.75 2cvl n ASP 7 Cb 0.56 0.04 0.63 0.00 -1.14 0.00 0.00 41.12 41.21 2cvl n ASP 7 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2cvl n ARG 8 N 0.14 1.25 -3.96 0.11 1.74 -1.26 -4.81 116.66 109.87 2cvl n ARG 8 Ca 0.17 -0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 56.79 2cvl n ARG 8 Cb 0.38 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.32 2cvl n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cvl s ALA 9 N -1.96 0.06 0.03 7.54 0.00 -1.25 -4.75 121.76 121.42 2cvl s ALA 9 Ca 0.36 -0.67 -0.37 0.00 0.00 0.00 0.00 51.96 51.28 2cvl s ALA 9 Cb 0.18 0.24 -0.17 0.00 0.00 0.00 0.00 23.12 23.37 2cvl s ALA 9 CO 0.29 -0.31 1.40 -2.30 0.00 0.00 0.00 175.76 174.84 2cvl n PRO 10 N 0.76 1.14 -1.87 0.00 -0.02 -1.26 -4.78 135.00 128.97 2cvl n PRO 10 Ca -0.19 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 2cvl n PRO 10 Cb 0.58 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 2cvl n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cvl s ALA 11 N 0.98 3.06 -0.11 3.55 0.00 -1.26 -4.91 121.76 123.06 2cvl s ALA 11 Ca 0.87 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.87 2cvl s ALA 11 Cb -0.98 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 2cvl s ALA 11 CO 0.50 -1.16 1.51 0.00 0.00 0.00 0.00 175.76 176.61 2cvl s ALA 12 N -1.28 3.59 -0.48 0.00 0.00 -1.26 -4.96 121.76 117.37 2cvl s ALA 12 Ca 0.65 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 2cvl s ALA 12 Cb -0.40 -3.72 0.13 0.00 0.00 0.00 0.00 23.12 19.13 2cvl s ALA 12 CO 0.50 -1.39 0.32 0.42 0.00 0.00 0.00 175.76 175.62 2cvl s ILE 13 N 3.99 3.86 -3.80 0.00 1.01 -1.26 -4.96 121.20 120.04 2cvl s ILE 13 Ca 0.67 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 59.25 2cvl s ILE 13 Cb -0.28 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2cvl s ILE 13 CO 0.24 -0.77 0.00 0.61 0.00 0.00 0.00 174.94 175.02 2cvl n GLY 14 N 4.57 0.92 2.44 6.18 0.00 -1.26 -4.94 105.19 113.10 2cvl n GLY 14 Ca -0.03 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 2cvl n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cvl n PRO 15 N -1.09 3.43 -3.49 1.61 -0.04 -1.26 -4.85 135.00 129.31 2cvl n PRO 15 Ca 0.00 -2.29 -0.12 0.00 -0.04 0.00 0.00 63.50 61.05 2cvl n PRO 15 Cb 0.00 -2.93 -0.03 0.00 -0.04 0.00 0.00 33.50 30.50 2cvl n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2cvl s TYR 16 N 2.50 -0.43 0.07 0.54 -0.85 -1.26 -5.17 117.35 112.74 2cvl s TYR 16 Ca 0.63 0.20 0.02 0.00 -0.52 0.00 0.00 57.07 57.40 2cvl s TYR 16 Cb 0.17 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 2cvl s TYR 16 CO -0.07 -0.80 0.10 0.00 -1.52 0.00 0.00 175.55 173.26 2cvl s ALA 17 N -3.72 3.62 0.35 9.51 0.00 -1.26 -4.82 121.76 125.44 2cvl s ALA 17 Ca 0.01 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.07 2cvl s ALA 17 Cb -0.00 -1.50 0.78 0.00 0.00 0.00 0.00 23.12 22.40 2cvl s ALA 17 CO -0.12 0.75 1.88 1.96 0.00 0.00 0.00 175.76 180.24 2cvl h GLN 18 N 3.36 0.71 -2.78 0.00 4.20 -1.95 -3.40 115.11 115.25 2cvl h GLN 18 Ca -0.47 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.23 2cvl h GLN 18 Cb 1.16 -0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.66 2cvl h GLN 18 CO 0.67 0.47 0.30 0.00 -0.67 0.00 0.00 178.83 179.60 2cvl s ALA 19 N -5.70 -1.62 -0.03 3.87 0.00 -1.25 -1.26 121.76 115.77 2cvl s ALA 19 Ca -0.10 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2cvl s ALA 19 Cb 0.21 0.75 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2cvl s ALA 19 CO 0.79 -0.79 -0.06 0.08 0.00 0.00 0.00 175.76 175.78 2cvl s VAL 20 N -3.58 0.59 -0.24 0.00 1.01 0.23 -0.35 120.40 118.07 2cvl s VAL 20 Ca 0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2cvl s VAL 20 Cb -0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2cvl s VAL 20 CO -0.09 0.21 0.18 -0.54 0.00 0.00 0.00 175.10 174.85 2cvl s LYS 21 N 0.47 4.08 -0.23 2.72 1.02 -0.04 -0.52 119.74 127.24 2cvl s LYS 21 Ca -0.06 -0.24 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 2cvl s LYS 21 Cb -0.10 -3.54 0.13 0.00 -0.52 0.00 0.00 37.83 33.80 2cvl s LYS 21 CO 0.00 0.05 1.04 0.00 -0.92 0.00 0.00 175.35 175.53 2cvl s ALA 22 N 1.08 -1.97 -1.72 5.17 0.00 -0.21 -2.19 121.76 121.91 2cvl s ALA 22 Ca 0.08 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2cvl s ALA 22 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2cvl s ALA 22 CO 0.05 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2cvl n GLY 23 N 1.50 0.76 1.55 0.00 0.00 -1.26 -1.12 105.19 106.62 2cvl n GLY 23 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2cvl n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cvl n GLY 24 N -0.59 0.76 3.50 -0.02 0.00 -1.26 -5.04 105.19 102.53 2cvl n GLY 24 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2cvl n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cvl s PHE 25 N -2.70 2.14 -0.14 1.61 0.40 -0.28 -1.00 117.98 118.01 2cvl s PHE 25 Ca 0.00 -0.77 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 2cvl s PHE 25 Cb 0.00 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.18 2cvl s PHE 25 CO 0.00 0.25 -0.13 0.08 0.70 0.00 0.00 175.22 176.12 2cvl s VAL 26 N -3.00 1.47 -0.28 -0.44 1.01 0.98 -1.05 120.40 119.09 2cvl s VAL 26 Ca 0.34 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 2cvl s VAL 26 Cb 0.07 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2cvl s VAL 26 CO 0.15 0.44 0.17 -0.36 0.00 0.00 0.00 175.10 175.50 2cvl s PHE 27 N 1.50 3.19 -0.17 5.22 0.08 0.33 -1.17 117.98 126.97 2cvl s PHE 27 Ca 0.04 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 57.04 2cvl s PHE 27 Cb -0.13 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 2cvl s PHE 27 CO -0.10 -0.21 0.01 0.08 -0.10 0.00 0.00 175.22 174.90 2cvl s VAL 28 N 1.73 4.30 0.80 -0.44 1.01 -0.20 -0.60 120.40 127.00 2cvl s VAL 28 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2cvl s VAL 28 Cb -0.16 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.38 2cvl s VAL 28 CO 0.10 0.47 1.12 -0.44 0.00 0.00 0.00 175.10 176.35 2cvl s SER 29 N 0.41 4.07 0.26 3.32 0.01 -0.39 -2.81 113.70 118.56 2cvl s SER 29 Ca -0.01 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 58.96 2cvl s SER 29 Cb -0.13 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.43 2cvl s SER 29 CO 0.02 -2.33 1.66 0.61 0.41 0.00 0.00 173.24 173.61 2cvl n GLY 30 N -0.53 1.44 3.55 3.44 0.00 -1.26 -4.58 105.19 107.25 2cvl n GLY 30 Ca 0.11 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.34 2cvl n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cvl s GLN 31 N 0.26 2.48 0.44 1.61 -1.52 0.60 -4.89 119.66 118.63 2cvl s GLN 31 Ca 0.69 -0.74 0.04 0.00 -1.95 0.00 0.00 55.36 53.39 2cvl s GLN 31 Cb -0.50 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.81 2cvl s GLN 31 CO 0.41 0.60 0.04 0.96 -0.25 0.00 0.00 175.29 177.05 2cvl s ILE 32 N -0.93 1.27 -0.10 1.08 -4.36 -1.26 -1.49 121.20 115.41 2cvl s ILE 32 Ca 0.15 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.52 2cvl s ILE 32 Cb -0.11 -2.51 -0.10 0.00 1.25 0.00 0.00 42.46 41.00 2cvl s ILE 32 CO 0.05 0.00 1.75 -2.65 0.24 0.00 0.00 174.94 174.33 2cvl n PRO 33 N -1.04 0.90 -4.17 0.37 -0.02 -1.26 -4.43 135.00 125.35 2cvl n PRO 33 Ca -0.11 -0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 60.52 2cvl n PRO 33 Cb 0.67 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 2cvl n PRO 33 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cvl s LEU 34 N 0.01 3.79 0.65 2.45 1.43 -1.26 -0.76 118.68 125.00 2cvl s LEU 34 Ca 0.27 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2cvl s LEU 34 Cb 0.12 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2cvl s LEU 34 CO -0.00 0.30 0.98 0.00 0.23 0.00 0.00 176.35 177.85 2cvl s ALA 35 N -1.11 3.15 0.34 4.21 0.00 0.14 -4.63 121.76 123.86 2cvl s ALA 35 Ca 0.20 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2cvl s ALA 35 Cb -0.12 -2.70 0.78 0.00 0.00 0.00 0.00 23.12 21.08 2cvl s ALA 35 CO 0.11 -1.03 1.84 -1.35 0.00 0.00 0.00 175.76 175.33 2cvl h PRO 36 N -0.42 0.71 -0.00 0.00 0.11 -1.86 -0.30 132.00 130.25 2cvl h PRO 36 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2cvl h PRO 36 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2cvl h PRO 36 CO 0.61 0.47 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.48 2cvl n ASP 37 N -4.60 0.01 0.00 -2.05 5.68 -1.26 -4.33 116.55 110.00 2cvl n ASP 37 Ca 0.19 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 2cvl n ASP 37 Cb 0.49 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2cvl n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cvl n GLY 38 N 1.07 0.39 3.77 6.12 0.00 -0.12 -5.06 105.19 111.35 2cvl n GLY 38 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2cvl n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cvl s SER 39 N -2.33 6.39 -0.10 1.61 0.01 -1.26 -4.68 113.70 113.34 2cvl s SER 39 Ca 0.00 2.29 -0.20 0.00 1.31 0.00 0.00 55.95 59.35 2cvl s SER 39 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2cvl s SER 39 CO 0.00 -0.76 0.54 -0.22 0.41 0.00 0.00 173.24 173.21 2cvl s LEU 40 N -2.76 4.29 -0.36 2.44 2.96 -1.26 0.23 118.68 124.22 2cvl s LEU 40 Ca 0.60 0.92 -0.15 0.00 -0.22 0.00 0.00 54.13 55.29 2cvl s LEU 40 Cb -0.29 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 2cvl s LEU 40 CO 0.35 -0.03 0.32 -0.69 -1.32 0.00 0.00 176.35 174.98 2cvl s VAL 41 N 0.68 5.21 0.00 1.68 1.01 0.06 -4.95 120.40 124.09 2cvl s VAL 41 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2cvl s VAL 41 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2cvl s VAL 41 CO 0.12 -0.12 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 2cvl n GLU 42 N 5.29 1.68 0.00 2.72 1.02 -1.26 -4.75 120.64 125.34 2cvl n GLU 42 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2cvl n GLU 42 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2cvl n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cvl n GLY 43 N 5.00 -0.90 3.74 0.62 0.00 -1.26 -4.57 105.19 107.83 2cvl n GLY 43 Ca 0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 2cvl n GLY 43 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cvl s ASP 44 N -4.00 2.92 0.44 1.61 1.47 -1.26 -4.77 116.67 113.07 2cvl s ASP 44 Ca 0.00 0.95 0.15 0.00 1.18 0.00 0.00 52.55 54.82 2cvl s ASP 44 Cb 0.00 -1.48 1.05 0.00 -0.34 0.00 0.00 42.92 42.14 2cvl s ASP 44 CO 0.00 -2.92 1.97 -0.29 0.68 0.00 0.00 175.17 174.61 2cvl h ILE 45 N -1.75 0.87 -0.37 2.11 6.09 -1.96 -1.95 117.51 120.56 2cvl h ILE 45 Ca -0.51 -0.13 -0.05 0.00 -1.37 0.00 0.00 64.86 62.80 2cvl h ILE 45 Cb 1.32 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 2cvl h ILE 45 CO 0.57 0.07 0.05 0.03 -3.07 0.00 0.00 178.15 175.80 2cvl h ARG 46 N 0.39 0.61 -0.35 2.19 3.08 -1.92 0.90 114.38 119.30 2cvl h ARG 46 Ca 0.29 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2cvl h ARG 46 Cb 0.62 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2cvl h ARG 46 CO -0.08 0.68 -0.23 0.28 -1.07 0.00 0.00 179.97 179.55 2cvl h VAL 47 N 0.45 1.29 -0.42 2.04 2.07 -1.76 -2.29 116.25 117.63 2cvl h VAL 47 Ca 0.11 -1.38 -0.14 0.00 0.82 0.00 0.00 66.70 66.11 2cvl h VAL 47 Cb 0.37 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2cvl h VAL 47 CO 0.01 0.45 -0.30 1.56 0.02 0.00 0.00 177.57 179.31 2cvl h GLN 48 N 0.55 0.92 -0.64 1.57 4.20 -1.33 -2.95 115.11 117.42 2cvl h GLN 48 Ca 0.07 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 2cvl h GLN 48 Cb 0.79 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2cvl h GLN 48 CO 0.06 1.09 0.15 1.15 -0.67 0.00 0.00 178.83 180.61 2cvl h THR 49 N 0.78 1.25 -0.51 -0.54 2.02 -0.81 -2.26 112.91 112.84 2cvl h THR 49 Ca 0.08 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.39 2cvl h THR 49 Cb 0.87 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2cvl h THR 49 CO 0.08 0.35 0.24 -0.08 0.37 0.00 0.00 175.52 176.48 2cvl h GLU 50 N 0.97 0.46 -0.80 6.66 4.81 -1.28 -1.91 114.58 123.48 2cvl h GLU 50 Ca 0.20 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2cvl h GLU 50 Cb 0.35 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2cvl h GLU 50 CO 0.00 0.30 0.40 -0.09 -0.73 0.00 0.00 179.01 178.90 2cvl h ARG 51 N 0.47 1.15 -0.60 1.92 9.65 -1.31 -0.22 114.38 125.43 2cvl h ARG 51 Ca 0.23 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2cvl h ARG 51 Cb 0.16 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2cvl h ARG 51 CO -0.17 0.88 0.00 0.28 2.80 0.00 0.00 179.97 183.76 2cvl n VAL 52 N -4.36 0.03 0.00 0.20 0.31 -0.72 -1.18 118.33 112.60 2cvl n VAL 52 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2cvl n VAL 52 Cb 0.13 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2cvl n VAL 52 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cvl n GLU 54 N 0.59 0.00 -0.08 5.55 -0.58 -0.10 -1.26 120.64 124.76 2cvl n GLU 54 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2cvl n GLU 54 Cb 0.03 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.85 2cvl n GLU 54 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2cvl h ASN 55 N 0.00 0.48 -0.21 1.62 2.35 -1.40 -1.46 115.58 116.96 2cvl h ASN 55 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2cvl h ASN 55 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2cvl h ASN 55 CO 0.00 0.78 0.13 -0.07 -1.65 0.00 0.00 177.43 176.62 2cvl h LEU 56 N 0.19 0.25 -0.37 1.61 3.38 -1.45 -1.89 115.31 117.03 2cvl h LEU 56 Ca 0.05 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2cvl h LEU 56 Cb 0.59 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2cvl h LEU 56 CO 0.03 0.21 0.08 0.50 0.09 0.00 0.00 178.44 179.35 2cvl h LYS 57 N 0.27 0.21 -0.62 1.13 3.64 -1.81 -0.03 116.57 119.36 2cvl h LYS 57 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2cvl h LYS 57 Cb -0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2cvl h LYS 57 CO -0.02 0.14 0.33 0.00 -2.27 0.00 0.00 179.45 177.63 2cvl h ALA 58 N 1.27 0.80 -0.32 5.00 0.00 -1.05 -0.24 119.26 124.70 2cvl h ALA 58 Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2cvl h ALA 58 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2cvl h ALA 58 CO -0.22 0.32 -0.09 0.28 0.00 0.00 0.00 179.25 179.55 2cvl h VAL 59 N 0.85 1.28 -0.49 0.00 2.07 -1.00 -0.95 116.25 118.01 2cvl h VAL 59 Ca 0.22 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.60 2cvl h VAL 59 Cb 0.06 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2cvl h VAL 59 CO -0.03 0.37 0.31 -0.07 0.02 0.00 0.00 177.57 178.17 2cvl h LEU 60 N 0.41 0.53 -0.78 2.57 3.38 -0.81 -1.17 115.31 119.45 2cvl h LEU 60 Ca 0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2cvl h LEU 60 Cb 0.59 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2cvl h LEU 60 CO 0.03 0.38 0.13 -0.33 0.09 0.00 0.00 178.44 178.75 2cvl h GLU 61 N 0.63 1.06 -0.03 1.13 5.08 -0.96 0.55 114.58 122.04 2cvl h GLU 61 Ca 0.18 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2cvl h GLU 61 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2cvl h GLU 61 CO -0.05 0.95 -0.12 0.00 -1.00 0.00 0.00 179.01 178.78 2cvl h ALA 62 N 1.14 1.73 -0.01 3.43 0.00 -0.69 -1.24 119.26 123.62 2cvl h ALA 62 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2cvl h ALA 62 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2cvl h ALA 62 CO 0.01 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2cvl n ALA 63 N -2.51 2.64 -0.83 0.00 0.00 -0.48 -4.88 120.51 114.44 2cvl n ALA 63 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2cvl n ALA 63 Cb 0.21 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2cvl n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cvl n GLY 64 N 1.04 0.53 0.00 0.00 0.00 -0.47 -5.03 105.19 101.27 2cvl n GLY 64 Ca 0.21 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2cvl n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cvl n SER 65 N 0.89 0.48 -3.66 1.61 2.88 0.11 -4.75 113.62 111.19 2cvl n SER 65 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2cvl n SER 65 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2cvl n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cvl s GLY 66 N -0.03 -0.28 0.40 0.46 0.00 -1.26 -3.78 107.32 102.83 2cvl s GLY 66 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.19 2cvl s GLY 66 CO 0.00 1.67 2.04 1.41 0.00 0.00 0.00 173.10 178.21 2cvl h LEU 67 N 2.00 0.51 0.00 0.66 3.38 -1.92 -1.44 115.31 118.50 2cvl h LEU 67 Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2cvl h LEU 67 Cb 1.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2cvl h LEU 67 CO 0.30 0.36 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 2cvl n SER 68 N -4.47 0.00 -0.82 -0.43 3.41 -1.26 -2.34 113.62 107.71 2cvl n SER 68 Ca 0.05 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2cvl n SER 68 Cb 0.10 -0.48 0.08 0.00 -0.26 0.00 0.00 64.21 63.65 2cvl n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cvl n ARG 69 N -1.48 2.00 -2.23 4.33 5.12 -0.54 -4.94 116.66 118.92 2cvl n ARG 69 Ca 0.05 -1.65 -0.42 0.00 -1.93 0.00 0.00 57.85 53.90 2cvl n ARG 69 Cb 0.21 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 2cvl n ARG 69 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2cvl s VAL 70 N -2.13 3.53 -0.17 1.55 1.01 -0.99 -0.88 120.40 122.31 2cvl s VAL 70 Ca 0.26 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.40 2cvl s VAL 70 Cb 0.19 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.75 2cvl s VAL 70 CO 0.38 0.07 0.29 1.33 0.00 0.00 0.00 175.10 177.16 2cvl n VAL 71 N 4.09 0.00 -3.68 2.92 0.24 -0.23 -4.27 118.33 117.40 2cvl n VAL 71 Ca 0.11 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2cvl n VAL 71 Cb 0.43 0.53 -0.09 0.00 -1.47 0.00 0.00 33.84 33.24 2cvl n VAL 71 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2cvl s GLN 72 N -2.43 0.64 0.06 7.34 0.74 -0.99 -0.95 119.66 124.07 2cvl s GLN 72 Ca -0.01 0.82 0.04 0.00 0.05 0.00 0.00 55.36 56.26 2cvl s GLN 72 Cb 0.07 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 2cvl s GLN 72 CO 0.41 -0.09 -0.12 0.95 -0.55 0.00 0.00 175.29 175.89 2cvl s THR 73 N 0.51 0.90 -0.17 -0.34 -4.23 -0.40 -0.83 115.64 111.08 2cvl s THR 73 Ca -0.02 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2cvl s THR 73 Cb -0.04 -0.90 0.04 0.00 1.34 0.00 0.00 72.50 72.93 2cvl s THR 73 CO -0.02 -0.27 -0.10 -0.89 -0.54 0.00 0.00 174.62 172.80 2cvl s THR 74 N -1.29 1.44 -0.07 3.99 2.01 -0.14 -2.31 115.64 119.27 2cvl s THR 74 Ca -0.05 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2cvl s THR 74 Cb -0.10 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2cvl s THR 74 CO 0.02 0.24 -0.17 0.00 -0.69 0.00 0.00 174.62 174.01 2cvl s PHE 76 N -0.29 2.17 0.05 0.00 0.40 0.17 -1.72 117.98 118.76 2cvl s PHE 76 Ca 0.02 -0.90 0.09 0.00 -0.60 0.00 0.00 56.93 55.54 2cvl s PHE 76 Cb -0.13 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2cvl s PHE 76 CO 0.03 -0.39 -0.25 -0.51 0.70 0.00 0.00 175.22 174.79 2cvl s LEU 77 N 0.53 2.18 0.25 -0.37 1.43 -0.37 -1.37 118.68 120.95 2cvl s LEU 77 Ca -0.16 -0.59 0.23 0.00 -1.03 0.00 0.00 54.13 52.58 2cvl s LEU 77 Cb -0.17 -1.23 0.28 0.00 0.03 0.00 0.00 46.19 45.10 2cvl s LEU 77 CO 0.06 0.23 1.36 0.00 0.23 0.00 0.00 176.35 178.23 2cvl h ALA 78 N 4.72 0.72 -2.96 4.21 0.00 -1.61 0.14 119.26 124.48 2cvl h ALA 78 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2cvl h ALA 78 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cvl h ALA 78 CO 0.43 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.21 2cvl n ASP 79 N -2.61 0.00 0.00 0.00 -0.08 -1.26 -4.66 116.55 107.94 2cvl n ASP 79 Ca 0.03 -0.54 0.00 0.00 -1.51 0.00 0.00 54.79 52.77 2cvl n ASP 79 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2cvl n ASP 79 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2cvl n GLU 81 N 0.00 0.00 0.00 -0.67 1.02 -1.26 -3.93 120.64 115.80 2cvl n GLU 81 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2cvl n GLU 81 Cb 0.00 -0.20 0.46 0.00 -0.02 0.00 0.00 31.44 31.68 2cvl n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2cvl n ASP 82 N 0.00 0.66 -0.19 1.62 8.00 -1.26 -4.29 116.55 121.09 2cvl n ASP 82 Ca 0.00 -0.57 -0.02 0.00 0.71 0.00 0.00 54.79 54.90 2cvl n ASP 82 Cb 0.00 0.03 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 2cvl n ASP 82 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2cvl h PHE 83 N 0.68 0.51 -0.35 1.24 3.57 -1.99 -0.41 116.94 120.19 2cvl h PHE 83 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2cvl h PHE 83 Cb 0.45 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 2cvl h PHE 83 CO 0.00 0.22 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.91 2cvl h PRO 84 N 0.53 0.04 -0.46 6.41 0.11 -1.96 0.27 132.00 136.93 2cvl h PRO 84 Ca 0.27 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 2cvl h PRO 84 Cb 0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2cvl h PRO 84 CO -0.20 0.03 -0.05 0.78 -0.21 0.00 0.00 178.00 178.34 2cvl h GLY 85 N 0.04 0.92 0.93 -0.55 0.00 -1.78 -1.76 103.07 100.88 2cvl h GLY 85 Ca 0.17 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.80 2cvl h GLY 85 CO -0.33 0.66 0.31 -2.75 0.00 0.00 0.00 176.54 174.43 2cvl h PHE 86 N 0.69 0.59 -0.66 5.60 3.04 -0.60 -2.23 116.94 123.38 2cvl h PHE 86 Ca 0.12 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2cvl h PHE 86 Cb 0.58 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2cvl h PHE 86 CO 0.04 0.35 0.28 -0.97 -2.02 0.00 0.00 178.31 175.99 2cvl h ASN 87 N 0.63 0.87 -0.28 0.41 -1.24 -0.30 -0.42 115.58 115.25 2cvl h ASN 87 Ca 0.19 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 2cvl h ASN 87 Cb -0.02 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 2cvl h ASN 87 CO -0.07 0.76 0.01 -0.08 -1.29 0.00 0.00 177.43 176.76 2cvl h GLU 88 N 0.94 0.49 -0.45 6.67 4.81 -0.82 -0.81 114.58 125.41 2cvl h GLU 88 Ca 0.22 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2cvl h GLU 88 Cb 0.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2cvl h GLU 88 CO -0.02 0.64 -0.28 0.28 -0.73 0.00 0.00 179.01 178.89 2cvl h VAL 89 N 0.28 1.27 -0.66 0.32 2.07 -1.28 -2.78 116.25 115.46 2cvl h VAL 89 Ca 0.08 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.22 2cvl h VAL 89 Cb 0.41 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2cvl h VAL 89 CO 0.01 0.50 0.33 0.22 0.02 0.00 0.00 177.57 178.65 2cvl h TYR 90 N 0.82 0.60 0.00 1.57 3.20 -0.97 -0.41 116.97 121.79 2cvl h TYR 90 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2cvl h TYR 90 Cb 0.87 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2cvl h TYR 90 CO 0.06 0.25 -0.03 0.00 -1.64 0.00 0.00 178.16 176.79 2cvl h ALA 91 N 1.38 1.13 0.00 1.82 0.00 -0.88 -2.01 119.26 120.70 2cvl h ALA 91 Ca 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2cvl h ALA 91 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2cvl h ALA 91 CO -0.23 0.04 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 2cvl h ARG 92 N 0.00 0.00 0.00 0.00 3.08 -0.86 -3.21 114.38 113.39 2cvl h ARG 92 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2cvl h ARG 92 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2cvl h ARG 92 CO 0.00 0.11 -0.92 0.66 -1.07 0.00 0.00 179.97 178.76 2cvl n TYR 93 N -3.18 0.00 -4.34 3.04 4.02 -0.76 -4.96 117.16 110.98 2cvl n TYR 93 Ca 0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 2cvl n TYR 93 Cb 0.46 -0.06 -0.12 0.00 -0.02 0.00 0.00 39.34 39.60 2cvl n TYR 93 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2cvl s PHE 94 N -3.01 1.97 0.05 -0.72 0.40 -1.19 -4.84 117.98 110.64 2cvl s PHE 94 Ca 0.08 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2cvl s PHE 94 Cb 0.16 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 2cvl s PHE 94 CO 0.84 0.31 -0.06 -0.08 0.70 0.00 0.00 175.22 176.93 2cvl s THR 95 N -1.49 0.49 0.23 0.64 -1.32 -1.26 -4.86 115.64 108.07 2cvl s THR 95 Ca 0.13 -1.35 -0.31 0.00 -1.21 0.00 0.00 61.69 58.95 2cvl s THR 95 Cb -0.08 -0.92 -0.14 0.00 -1.51 0.00 0.00 72.50 69.84 2cvl s THR 95 CO 0.06 -0.58 1.26 -2.65 -2.21 0.00 0.00 174.62 170.50 2cvl n PRO 96 N 0.96 1.66 -2.76 7.08 -0.02 -1.26 -3.78 135.00 136.88 2cvl n PRO 96 Ca -0.19 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 2cvl n PRO 96 Cb 0.57 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2cvl n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2cvl s PRO 97 N -0.68 4.69 0.58 0.52 0.04 -1.26 -5.16 135.00 133.73 2cvl s PRO 97 Ca 0.67 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 2cvl s PRO 97 Cb -0.72 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 2cvl s PRO 97 CO 0.53 0.25 0.99 0.71 0.04 0.00 0.00 177.00 179.53 2cvl s TYR 98 N -0.13 3.59 0.80 0.56 1.51 -1.25 -5.03 117.35 117.40 2cvl s TYR 98 Ca 0.45 1.28 -0.11 0.00 -1.01 0.00 0.00 57.07 57.68 2cvl s TYR 98 Cb -0.23 -2.69 0.07 0.00 -0.11 0.00 0.00 41.96 39.00 2cvl s TYR 98 CO 0.29 -0.58 1.09 -2.14 -1.11 0.00 0.00 175.55 173.10 2cvl s PRO 99 N -4.90 2.05 0.47 -1.71 0.02 -1.26 -5.00 135.00 124.68 2cvl s PRO 99 Ca 0.55 0.93 -0.20 0.00 0.02 0.00 0.00 61.00 62.30 2cvl s PRO 99 Cb -0.11 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 2cvl s PRO 99 CO 0.48 -1.72 1.01 0.00 -0.33 0.00 0.00 177.00 176.44 2cvl s ALA 100 N -2.99 2.93 -0.01 -1.55 0.00 -0.13 -4.90 121.76 115.11 2cvl s ALA 100 Ca 0.61 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.00 2cvl s ALA 100 Cb -0.16 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2cvl s ALA 100 CO 0.56 -0.19 0.17 0.50 0.00 0.00 0.00 175.76 176.80 2cvl s ARG 101 N -3.30 0.46 -0.05 0.00 3.52 -1.26 -1.27 118.95 117.06 2cvl s ARG 101 Ca 0.65 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 56.02 2cvl s ARG 101 Cb -0.14 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.46 2cvl s ARG 101 CO 0.19 -0.11 -0.10 0.00 -0.81 0.00 0.00 175.30 174.48 2cvl s ALA 102 N -1.12 1.00 -0.02 6.12 0.00 -0.98 -4.99 121.76 121.78 2cvl s ALA 102 Ca -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2cvl s ALA 102 Cb -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2cvl s ALA 102 CO 0.02 0.10 -0.07 0.99 0.00 0.00 0.00 175.76 176.79 2cvl s THR 103 N 0.55 0.63 0.11 0.00 2.01 -1.26 -0.84 115.64 116.84 2cvl s THR 103 Ca -0.10 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 2cvl s THR 103 Cb -0.13 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2cvl s THR 103 CO 0.02 0.20 0.09 0.68 -0.69 0.00 0.00 174.62 174.92 2cvl s VAL 104 N 0.11 0.13 -0.11 3.82 -7.23 -0.70 -5.00 120.40 111.43 2cvl s VAL 104 Ca -0.01 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 2cvl s VAL 104 Cb -0.06 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 2cvl s VAL 104 CO -0.00 -0.60 -0.11 0.00 -0.31 0.00 0.00 175.10 174.08 2cvl s ALA 105 N -3.97 2.75 0.29 1.32 0.00 -1.26 -1.24 121.76 119.64 2cvl s ALA 105 Ca 0.16 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.33 2cvl s ALA 105 Cb 0.07 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2cvl s ALA 105 CO -0.03 0.37 -0.12 0.14 0.00 0.00 0.00 175.76 176.11 2cvl s VAL 106 N -0.08 2.66 0.23 0.00 -7.23 0.50 -4.93 120.40 111.55 2cvl s VAL 106 Ca -0.01 -2.24 -0.08 0.00 -1.81 0.00 0.00 61.98 57.84 2cvl s VAL 106 Cb -0.14 -2.51 0.21 0.00 0.56 0.00 0.00 36.38 34.51 2cvl s VAL 106 CO 0.03 -0.35 1.90 0.11 -0.31 0.00 0.00 175.10 176.49 2cvl h LYS 107 N 2.11 1.16 -2.00 4.82 1.57 -1.86 -3.38 116.57 118.99 2cvl h LYS 107 Ca -0.41 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 2cvl h LYS 107 Cb 1.26 -0.26 -0.19 0.00 0.08 0.00 0.00 32.23 33.11 2cvl h LYS 107 CO 0.62 0.77 0.26 0.00 -0.57 0.00 0.00 179.45 180.53 2cvl s ALA 108 N -6.12 -1.79 0.37 3.86 0.00 -1.26 -4.95 121.76 111.87 2cvl s ALA 108 Ca -0.13 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2cvl s ALA 108 Cb 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 2cvl s ALA 108 CO 0.80 -0.39 0.03 -0.51 0.00 0.00 0.00 175.76 175.69 2cvl s LEU 109 N -1.31 2.95 0.29 0.00 1.43 -1.26 -5.02 118.68 115.75 2cvl s LEU 109 Ca -0.08 -1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 51.60 2cvl s LEU 109 Cb -0.00 -1.20 -0.14 0.00 0.03 0.00 0.00 46.19 44.88 2cvl s LEU 109 CO 0.06 -0.35 1.03 -2.65 0.23 0.00 0.00 176.35 174.67 2cvl n PRO 110 N -0.99 1.41 -1.92 1.29 -0.02 -1.26 -1.58 135.00 131.93 2cvl n PRO 110 Ca -0.04 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 2cvl n PRO 110 Cb 0.64 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 2cvl n PRO 110 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2cvl n ARG 111 N 0.73 -1.78 -1.66 -0.52 1.74 -1.26 -1.29 116.66 112.62 2cvl n ARG 111 Ca 0.09 0.64 -0.17 0.00 -0.77 0.00 0.00 57.85 57.64 2cvl n ARG 111 Cb 0.32 -5.06 -0.06 0.00 -1.02 0.00 0.00 32.46 26.64 2cvl n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cvl n GLY 112 N -0.52 1.30 3.73 -0.13 0.00 -0.61 -4.98 105.19 103.97 2cvl n GLY 112 Ca -0.13 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2cvl n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cvl s VAL 113 N -2.68 2.65 -0.27 1.61 -7.23 -0.41 -4.89 120.40 109.19 2cvl s VAL 113 Ca 0.00 0.24 0.22 0.00 -1.81 0.00 0.00 61.98 60.63 2cvl s VAL 113 Cb 0.00 -2.58 0.07 0.00 0.56 0.00 0.00 36.38 34.43 2cvl s VAL 113 CO 0.00 -0.25 1.18 0.03 -0.31 0.00 0.00 175.10 175.75 2cvl h ARG 114 N -1.10 0.00 -2.67 4.82 3.08 -1.93 -3.39 114.38 113.18 2cvl h ARG 114 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 2cvl h ARG 114 Cb 1.26 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.12 2cvl h ARG 114 CO 0.48 0.06 -0.05 0.54 -1.07 0.00 0.00 179.97 179.93 2cvl s VAL 115 N -3.26 0.03 -0.06 2.04 0.11 -1.26 -2.15 120.40 115.86 2cvl s VAL 115 Ca 0.01 -0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2cvl s VAL 115 Cb 0.08 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2cvl s VAL 115 CO 0.76 -0.16 0.14 -0.70 -3.33 0.00 0.00 175.10 171.81 2cvl s GLU 116 N -1.69 0.12 -0.03 1.54 2.12 -0.47 -4.27 118.70 116.02 2cvl s GLU 116 Ca -0.10 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2cvl s GLU 116 Cb -0.02 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.33 2cvl s GLU 116 CO 0.04 -0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 174.72 2cvl s VAL 117 N 0.64 0.30 0.30 3.70 1.01 -0.56 -0.65 120.40 125.14 2cvl s VAL 117 Ca -0.05 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.01 2cvl s VAL 117 Cb -0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 2cvl s VAL 117 CO -0.03 0.15 -0.15 0.00 0.00 0.00 0.00 175.10 175.07 2cvl s ALA 118 N 0.67 2.85 0.32 5.51 0.00 -0.50 -0.29 121.76 130.33 2cvl s ALA 118 Ca -0.07 -1.94 -0.18 0.00 0.00 0.00 0.00 51.96 49.76 2cvl s ALA 118 Cb -0.11 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2cvl s ALA 118 CO -0.01 0.21 0.73 0.00 0.00 0.00 0.00 175.76 176.69 2cvl s VAL 120 N -3.27 0.36 0.16 0.00 1.01 -0.01 -1.03 120.40 117.62 2cvl s VAL 120 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2cvl s VAL 120 Cb -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2cvl s VAL 120 CO 0.09 0.13 0.07 0.00 0.00 0.00 0.00 175.10 175.39 2cvl s ALA 121 N 0.21 1.02 0.32 5.51 0.00 -0.31 -1.07 121.76 127.45 2cvl s ALA 121 Ca -0.02 -1.55 -0.26 0.00 0.00 0.00 0.00 51.96 50.13 2cvl s ALA 121 Cb -0.06 0.95 -0.10 0.00 0.00 0.00 0.00 23.12 23.92 2cvl s ALA 121 CO -0.00 -0.49 0.94 -0.51 0.00 0.00 0.00 175.76 175.70 2cvl s LEU 122 N -3.10 4.33 0.00 0.00 1.43 -0.06 -0.01 118.68 121.27 2cvl s LEU 122 Ca 0.28 1.83 0.11 0.00 -1.03 0.00 0.00 54.13 55.32 2cvl s LEU 122 Cb 0.07 -4.02 0.67 0.00 0.03 0.00 0.00 46.19 42.94 2cvl s LEU 122 CO 0.05 -0.07 1.43 0.00 0.23 0.00 0.00 176.35 177.99 2cvl n ALA 123 N 0.54 2.56 -0.81 4.21 0.00 -0.17 -4.66 120.51 122.18 2cvl n ALA 123 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2cvl n ALA 123 Cb 0.50 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2cvl n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89