#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 3.24 -0.16 4.31 0.00 -1.26 -0.46 121.76 127.42 2cvl s ALA 3 Ca 0.00 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 2cvl s ALA 3 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2cvl s ALA 3 CO 0.00 -0.05 -0.01 0.08 0.00 0.00 0.00 175.76 175.79 2cvl s VAL 4 N -1.45 4.18 -0.04 0.00 1.01 0.26 -4.92 120.40 119.45 2cvl s VAL 4 Ca 0.50 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2cvl s VAL 4 Cb -0.24 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.31 2cvl s VAL 4 CO 0.31 0.48 -0.02 -0.75 0.00 0.00 0.00 175.10 175.12 2cvl s LYS 5 N 0.35 0.54 -0.03 2.72 2.20 -1.26 -3.76 119.74 120.51 2cvl s LYS 5 Ca -0.02 -0.00 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 2cvl s LYS 5 Cb -0.14 -0.65 0.01 0.00 -1.51 0.00 0.00 37.83 35.54 2cvl s LYS 5 CO 0.02 -0.11 0.17 -0.08 -0.36 0.00 0.00 175.35 174.99 2cvl s THR 6 N 1.00 0.05 -1.69 3.43 -1.32 -1.26 -5.02 115.64 110.82 2cvl s THR 6 Ca -0.10 -0.40 0.29 0.00 -1.21 0.00 0.00 61.69 60.26 2cvl s THR 6 Cb -0.14 -0.38 0.45 0.00 -1.51 0.00 0.00 72.50 70.92 2cvl s THR 6 CO -0.01 -0.22 1.84 0.47 -2.21 0.00 0.00 174.62 174.48 2cvl n ASP 7 N 2.03 0.54 -0.01 8.08 8.00 -1.26 -3.54 116.55 130.39 2cvl n ASP 7 Ca -0.19 -0.64 0.13 0.00 0.71 0.00 0.00 54.79 54.80 2cvl n ASP 7 Cb 0.57 -0.05 0.75 0.00 -0.02 0.00 0.00 41.12 42.37 2cvl n ASP 7 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2cvl n ARG 8 N -0.89 1.02 -4.00 -1.24 1.74 -1.26 -4.77 116.66 107.25 2cvl n ARG 8 Ca 0.15 -0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.12 2cvl n ARG 8 Cb 0.28 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.00 0.20 0.02 7.54 0.00 -1.23 -4.71 121.76 121.58 2cvl s ALA 9 Ca 0.38 -0.82 -0.37 0.00 0.00 0.00 0.00 51.96 51.15 2cvl s ALA 9 Cb 0.18 0.24 -0.16 0.00 0.00 0.00 0.00 23.12 23.37 2cvl s ALA 9 CO 0.29 -0.30 1.44 -2.30 0.00 0.00 0.00 175.76 174.90 2cvl n PRO 10 N 0.73 1.24 -1.54 0.00 -0.02 -1.26 -4.77 135.00 129.38 2cvl n PRO 10 Ca -0.18 0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 2cvl n PRO 10 Cb 0.59 -2.11 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 2cvl n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cvl n ALA 11 N 3.18 0.08 -2.89 3.55 0.00 -1.26 -4.91 120.51 118.27 2cvl n ALA 11 Ca 0.20 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2cvl n ALA 11 Cb 0.19 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 2cvl n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cvl s ALA 12 N -1.61 3.26 -0.76 0.00 0.00 -1.26 -4.96 121.76 116.43 2cvl s ALA 12 Ca 0.76 -2.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.03 2cvl s ALA 12 Cb -0.38 -4.04 0.16 0.00 0.00 0.00 0.00 23.12 18.86 2cvl s ALA 12 CO 0.47 -2.97 0.79 0.42 0.00 0.00 0.00 175.76 174.47 2cvl s ILE 13 N 3.15 5.20 -5.00 0.00 1.01 -1.26 -4.88 121.20 119.42 2cvl s ILE 13 Ca 0.31 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.13 2cvl s ILE 13 Cb -0.07 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.88 2cvl s ILE 13 CO -0.05 -1.13 0.00 0.61 0.00 0.00 0.00 174.94 174.37 2cvl n GLY 14 N 4.74 0.70 2.44 6.18 0.00 -1.26 -4.96 105.19 113.03 2cvl n GLY 14 Ca 0.07 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.30 3.49 -3.47 1.61 -0.04 -1.26 -4.83 135.00 130.19 2cvl n PRO 15 Ca 0.00 -2.36 -0.12 0.00 -0.04 0.00 0.00 63.50 60.99 2cvl n PRO 15 Cb 0.00 -2.94 -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 2.36 -0.49 0.13 0.54 -0.85 -1.26 -5.17 117.35 112.61 2cvl s TYR 16 Ca 0.63 0.43 0.08 0.00 -0.52 0.00 0.00 57.07 57.69 2cvl s TYR 16 Cb 0.17 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 2cvl s TYR 16 CO -0.07 -0.68 -0.12 0.00 -1.52 0.00 0.00 175.55 173.16 2cvl s ALA 17 N -2.99 2.89 0.33 9.51 0.00 -1.26 -4.79 121.76 125.45 2cvl s ALA 17 Ca 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2cvl s ALA 17 Cb -0.01 -0.79 0.65 0.00 0.00 0.00 0.00 23.12 22.97 2cvl s ALA 17 CO -0.07 0.58 1.92 1.96 0.00 0.00 0.00 175.76 180.15 2cvl h GLN 18 N 3.45 0.85 -2.78 0.00 4.20 -1.94 -3.40 115.11 115.49 2cvl h GLN 18 Ca -0.49 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.17 2cvl h GLN 18 Cb 1.18 -0.19 -0.13 0.00 0.30 0.00 0.00 27.48 28.63 2cvl h GLN 18 CO 0.51 0.56 0.25 0.00 -0.67 0.00 0.00 178.83 179.49 2cvl s ALA 19 N -5.79 -1.65 -0.03 3.87 0.00 -1.25 -0.95 121.76 115.97 2cvl s ALA 19 Ca -0.11 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2cvl s ALA 19 Cb 0.20 0.71 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2cvl s ALA 19 CO 0.79 -0.71 -0.09 0.08 0.00 0.00 0.00 175.76 175.82 2cvl s VAL 20 N -3.38 0.79 -0.24 0.00 1.01 0.24 -0.58 120.40 118.25 2cvl s VAL 20 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2cvl s VAL 20 Cb -0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2cvl s VAL 20 CO -0.10 0.25 0.20 -0.54 0.00 0.00 0.00 175.10 174.91 2cvl s LYS 21 N 0.29 4.07 -0.26 2.72 1.02 0.39 -0.40 119.74 127.57 2cvl s LYS 21 Ca -0.05 -0.21 -0.26 0.00 0.02 0.00 0.00 55.97 55.48 2cvl s LYS 21 Cb -0.10 -3.56 0.10 0.00 -0.52 0.00 0.00 37.83 33.76 2cvl s LYS 21 CO 0.01 0.01 0.91 0.00 -0.92 0.00 0.00 175.35 175.36 2cvl s ALA 22 N 1.19 -1.90 -1.69 5.17 0.00 -0.30 -1.98 121.76 122.25 2cvl s ALA 22 Ca 0.09 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2cvl s ALA 22 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2cvl s ALA 22 CO 0.06 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2cvl n GLY 23 N 2.23 0.45 1.41 0.00 0.00 -1.26 -1.28 105.19 106.73 2cvl n GLY 23 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.68 0.74 3.60 -0.02 0.00 -1.26 -5.04 105.19 102.53 2cvl n GLY 24 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.93 2.46 -0.16 1.61 0.40 -0.41 -0.76 117.98 118.19 2cvl s PHE 25 Ca 0.00 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 2cvl s PHE 25 Cb 0.00 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.86 2cvl s PHE 25 CO 0.00 0.43 -0.11 0.08 0.70 0.00 0.00 175.22 176.32 2cvl s VAL 26 N -2.75 1.49 -0.35 -0.44 1.01 0.95 -1.15 120.40 119.15 2cvl s VAL 26 Ca 0.35 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2cvl s VAL 26 Cb 0.09 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2cvl s VAL 26 CO 0.18 0.31 0.30 -0.36 0.00 0.00 0.00 175.10 175.52 2cvl s PHE 27 N 1.49 3.22 -0.19 5.22 0.08 0.47 -1.10 117.98 127.17 2cvl s PHE 27 Ca 0.02 -0.20 -0.09 0.00 0.12 0.00 0.00 56.93 56.78 2cvl s PHE 27 Cb -0.14 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 2cvl s PHE 27 CO -0.09 -0.43 0.11 0.08 -0.10 0.00 0.00 175.22 174.79 2cvl s VAL 28 N 1.84 5.26 0.86 -0.44 1.01 0.12 -0.59 120.40 128.46 2cvl s VAL 28 Ca 0.08 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 2cvl s VAL 28 Cb -0.17 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 32.93 2cvl s VAL 28 CO 0.11 0.45 1.13 -0.44 0.00 0.00 0.00 175.10 176.35 2cvl s SER 29 N 0.34 3.43 -0.09 3.32 0.01 -0.12 -2.75 113.70 117.84 2cvl s SER 29 Ca 0.07 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.13 2cvl s SER 29 Cb -0.11 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.50 2cvl s SER 29 CO -0.01 -2.76 1.84 -0.83 0.41 0.00 0.00 173.24 171.89 2cvl s GLY 30 N -2.84 1.25 0.10 3.44 0.00 -1.26 -4.49 107.32 103.52 2cvl s GLY 30 Ca 0.66 0.92 -0.18 0.00 0.00 0.00 0.00 44.72 46.12 2cvl s GLY 30 CO 0.57 3.30 0.57 1.20 0.00 0.00 0.00 173.10 178.74 2cvl s GLN 31 N 4.73 4.13 0.41 2.90 -1.52 0.59 -4.79 119.66 126.11 2cvl s GLN 31 Ca 0.82 0.67 0.06 0.00 -1.95 0.00 0.00 55.36 54.96 2cvl s GLN 31 Cb -0.34 -3.13 -0.07 0.00 -0.22 0.00 0.00 33.01 29.24 2cvl s GLN 31 CO 0.34 0.58 0.02 0.96 -0.25 0.00 0.00 175.29 176.94 2cvl s ILE 32 N -1.23 1.84 -1.14 1.08 -4.36 -1.26 -1.48 121.20 114.65 2cvl s ILE 32 Ca 0.32 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.57 2cvl s ILE 32 Cb -0.18 -2.92 -0.07 0.00 1.25 0.00 0.00 42.46 40.54 2cvl s ILE 32 CO 0.19 0.00 2.24 -0.81 0.24 0.00 0.00 174.94 176.80 2cvl n PRO 33 N -0.95 2.40 -4.93 0.37 -0.04 -1.26 -4.38 135.00 126.20 2cvl n PRO 33 Ca -0.05 -1.99 -0.33 0.00 -0.04 0.00 0.00 63.50 61.09 2cvl n PRO 33 Cb 0.67 -2.86 -0.15 0.00 -0.04 0.00 0.00 33.50 31.12 2cvl n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cvl s LEU 34 N 0.95 2.52 0.64 1.53 1.43 -1.26 -0.45 118.68 124.03 2cvl s LEU 34 Ca 0.52 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2cvl s LEU 34 Cb 0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 2cvl s LEU 34 CO -0.01 0.19 1.05 0.00 0.23 0.00 0.00 176.35 177.81 2cvl s ALA 35 N 0.18 2.79 0.56 4.21 0.00 0.72 -4.57 121.76 125.64 2cvl s ALA 35 Ca -0.10 0.16 0.27 0.00 0.00 0.00 0.00 51.96 52.30 2cvl s ALA 35 Cb -0.16 -3.17 1.47 0.00 0.00 0.00 0.00 23.12 21.26 2cvl s ALA 35 CO 0.06 -0.94 1.97 -1.35 0.00 0.00 0.00 175.76 175.50 2cvl h PRO 36 N -0.17 0.00 -0.00 0.00 0.11 -1.86 0.17 132.00 130.24 2cvl h PRO 36 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2cvl h PRO 36 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2cvl h PRO 36 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 2cvl n ASP 37 N -4.10 0.06 0.00 -2.05 5.68 -1.26 -4.48 116.55 110.40 2cvl n ASP 37 Ca 0.09 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 2cvl n ASP 37 Cb 0.63 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.88 0.73 3.74 6.12 0.00 0.59 -5.05 105.19 112.21 2cvl n GLY 38 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.92 7.29 0.05 1.61 0.01 -1.25 -4.79 113.70 113.70 2cvl s SER 39 Ca 0.00 1.55 -0.30 0.00 1.31 0.00 0.00 55.95 58.51 2cvl s SER 39 Cb 0.00 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2cvl s SER 39 CO 0.00 -0.04 1.00 -0.22 0.41 0.00 0.00 173.24 174.39 2cvl s LEU 40 N 0.11 4.42 -0.33 2.44 2.96 -1.26 -0.20 118.68 126.82 2cvl s LEU 40 Ca 0.42 1.75 -0.16 0.00 -0.22 0.00 0.00 54.13 55.92 2cvl s LEU 40 Cb -0.21 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 2cvl s LEU 40 CO 0.25 -0.21 0.43 -0.69 -1.32 0.00 0.00 176.35 174.81 2cvl s VAL 41 N 0.61 5.11 0.08 1.68 1.01 0.40 -4.93 120.40 124.35 2cvl s VAL 41 Ca 0.51 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.79 2cvl s VAL 41 Cb -0.23 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2cvl s VAL 41 CO 0.29 -0.08 0.08 -0.62 0.00 0.00 0.00 175.10 174.77 2cvl n GLU 42 N 5.51 1.20 0.00 2.72 1.02 -1.26 -4.77 120.64 125.07 2cvl n GLU 42 Ca -0.07 -0.45 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 2cvl n GLU 42 Cb 0.49 0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 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 4.07 -0.73 3.67 0.62 0.00 -1.26 -4.61 105.19 106.95 2cvl n GLY 43 Ca 0.01 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 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 2.02 0.40 1.61 1.47 -1.26 -4.75 116.67 112.17 2cvl s ASP 44 Ca 0.00 0.86 0.10 0.00 1.18 0.00 0.00 52.55 54.69 2cvl s ASP 44 Cb 0.00 -1.31 0.89 0.00 -0.34 0.00 0.00 42.92 42.17 2cvl s ASP 44 CO 0.00 -3.47 1.98 -0.29 0.68 0.00 0.00 175.17 174.07 2cvl h ILE 45 N -2.13 0.97 -0.29 2.11 6.09 -1.96 -2.08 117.51 120.21 2cvl h ILE 45 Ca -0.50 -0.19 -0.04 0.00 -1.37 0.00 0.00 64.86 62.76 2cvl h ILE 45 Cb 1.31 0.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 2cvl h ILE 45 CO 0.48 0.10 0.01 0.03 -3.07 0.00 0.00 178.15 175.70 2cvl h ARG 46 N 0.57 0.50 -0.55 2.19 3.08 -1.92 1.00 114.38 119.24 2cvl h ARG 46 Ca 0.28 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 2cvl h ARG 46 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2cvl h ARG 46 CO -0.09 0.64 -0.10 0.28 -1.07 0.00 0.00 179.97 179.63 2cvl h VAL 47 N 0.30 1.27 -0.33 2.04 2.07 -1.83 -1.85 116.25 117.92 2cvl h VAL 47 Ca 0.08 -1.27 -0.18 0.00 0.82 0.00 0.00 66.70 66.16 2cvl h VAL 47 Cb 0.41 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2cvl h VAL 47 CO 0.01 0.45 -0.49 1.56 0.02 0.00 0.00 177.57 179.12 2cvl h GLN 48 N 0.93 0.91 -0.39 1.57 4.20 -1.32 -3.07 115.11 117.94 2cvl h GLN 48 Ca 0.14 -0.54 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 2cvl h GLN 48 Cb 0.68 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2cvl h GLN 48 CO 0.05 1.19 -0.06 1.15 -0.67 0.00 0.00 178.83 180.49 2cvl h THR 49 N 0.71 1.23 -0.62 -0.54 2.02 -0.73 -2.20 112.91 112.79 2cvl h THR 49 Ca 0.03 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.25 2cvl h THR 49 Cb 1.10 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 2cvl h THR 49 CO 0.11 0.34 0.37 -0.08 0.37 0.00 0.00 175.52 176.63 2cvl h GLU 50 N 0.60 0.69 -0.69 6.66 4.81 -1.24 -2.13 114.58 123.28 2cvl h GLU 50 Ca 0.12 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2cvl h GLU 50 Cb 0.47 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2cvl h GLU 50 CO 0.02 0.46 0.15 -0.09 -0.73 0.00 0.00 179.01 178.82 2cvl h ARG 51 N 0.71 1.12 -0.90 1.92 9.65 -1.38 -1.11 114.38 124.39 2cvl h ARG 51 Ca 0.26 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2cvl h ARG 51 Cb 0.07 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2cvl h ARG 51 CO -0.13 1.00 0.00 0.28 2.80 0.00 0.00 179.97 183.92 2cvl n VAL 52 N -4.22 0.05 0.00 0.20 0.31 -0.80 -1.39 118.33 112.48 2cvl n VAL 52 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2cvl n VAL 52 Cb 0.27 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.67 0.00 -0.12 5.55 -0.58 -0.42 -1.33 120.64 124.40 2cvl n GLU 54 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2cvl n GLU 54 Cb 0.04 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.88 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 0.64 -0.19 1.62 2.35 -1.50 -0.70 115.58 117.81 2cvl h ASN 55 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2cvl h ASN 55 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2cvl h ASN 55 CO 0.00 0.84 0.13 -0.07 -1.65 0.00 0.00 177.43 176.68 2cvl h LEU 56 N 0.43 0.22 -0.44 1.61 3.38 -1.48 -1.10 115.31 117.92 2cvl h LEU 56 Ca 0.09 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2cvl h LEU 56 Cb 0.55 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2cvl h LEU 56 CO 0.03 0.16 0.23 0.50 0.09 0.00 0.00 178.44 179.45 2cvl h LYS 57 N 0.26 0.45 -0.68 1.13 3.64 -1.80 -0.34 116.57 119.23 2cvl h LYS 57 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2cvl h LYS 57 Cb -0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2cvl h LYS 57 CO -0.01 0.30 0.37 0.00 -2.27 0.00 0.00 179.45 177.83 2cvl h ALA 58 N 1.23 0.87 -0.34 5.00 0.00 -0.84 -1.05 119.26 124.12 2cvl h ALA 58 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2cvl h ALA 58 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2cvl h ALA 58 CO -0.12 0.39 -0.33 0.28 0.00 0.00 0.00 179.25 179.46 2cvl h VAL 59 N 0.93 1.28 -0.75 0.00 2.07 -0.91 -2.18 116.25 116.70 2cvl h VAL 59 Ca 0.24 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 2cvl h VAL 59 Cb 0.05 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2cvl h VAL 59 CO -0.04 0.49 0.32 -0.07 0.02 0.00 0.00 177.57 178.30 2cvl h LEU 60 N 0.62 1.02 -0.59 2.57 3.38 -0.88 -1.88 115.31 119.55 2cvl h LEU 60 Ca 0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2cvl h LEU 60 Cb 0.91 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2cvl h LEU 60 CO 0.08 0.90 0.10 -0.33 0.09 0.00 0.00 178.44 179.28 2cvl h GLU 61 N 1.08 0.98 0.00 1.13 5.08 -1.14 0.24 114.58 121.95 2cvl h GLU 61 Ca 0.25 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2cvl h GLU 61 Cb 0.18 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2cvl h GLU 61 CO -0.02 0.93 -0.07 0.00 -1.00 0.00 0.00 179.01 178.85 2cvl h ALA 62 N 1.01 1.10 -0.05 3.43 0.00 -1.07 -1.22 119.26 122.46 2cvl h ALA 62 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2cvl h ALA 62 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2cvl h ALA 62 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2cvl n ALA 63 N -2.17 2.57 -0.96 0.00 0.00 -0.74 -4.87 120.51 114.34 2cvl n ALA 63 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2cvl n ALA 63 Cb 0.25 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.15 0.43 0.00 0.00 0.00 -0.46 -4.63 105.19 101.68 2cvl n GLY 64 Ca 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.44 0.70 -3.69 1.61 2.88 0.80 -3.94 113.62 113.41 2cvl n SER 65 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 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 -0.02 -0.33 0.29 0.46 0.00 -1.25 -3.75 107.32 102.72 2cvl s GLY 66 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 2cvl s GLY 66 CO 0.00 2.15 1.92 1.41 0.00 0.00 0.00 173.10 178.58 2cvl h LEU 67 N 2.00 0.96 -0.85 0.66 3.38 -1.92 -1.59 115.31 117.95 2cvl h LEU 67 Ca -0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2cvl h LEU 67 Cb 1.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2cvl h LEU 67 CO 0.30 0.63 0.00 -1.54 0.09 0.00 0.00 178.44 177.92 2cvl n SER 68 N -4.47 0.58 -0.61 -0.43 3.41 -1.26 -1.92 113.62 108.92 2cvl n SER 68 Ca 0.13 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 2cvl n SER 68 Cb 0.16 -0.79 0.16 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.18 1.58 -2.18 4.33 5.12 -0.60 -4.92 116.66 117.81 2cvl n ARG 69 Ca 0.01 -1.22 -0.42 0.00 -1.93 0.00 0.00 57.85 54.29 2cvl n ARG 69 Cb 0.16 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.26 3.55 -0.31 1.55 1.01 -0.81 -0.84 120.40 122.30 2cvl s VAL 70 Ca 0.25 1.00 0.13 0.00 0.00 0.00 0.00 61.98 63.36 2cvl s VAL 70 Cb 0.19 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.75 2cvl s VAL 70 CO 0.44 0.02 0.43 1.33 0.00 0.00 0.00 175.10 177.32 2cvl n VAL 71 N 4.48 0.00 -3.68 2.92 0.24 -0.19 -4.30 118.33 117.80 2cvl n VAL 71 Ca 0.13 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 2cvl n VAL 71 Cb 0.43 0.58 -0.09 0.00 -1.47 0.00 0.00 33.84 33.29 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 -2.61 0.61 0.06 7.34 0.74 -0.97 -1.09 119.66 123.73 2cvl s GLN 72 Ca -0.00 0.84 0.06 0.00 0.05 0.00 0.00 55.36 56.31 2cvl s GLN 72 Cb 0.09 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.40 2cvl s GLN 72 CO 0.56 -0.10 -0.16 0.95 -0.55 0.00 0.00 175.29 175.98 2cvl s THR 73 N 0.71 1.28 -0.22 -0.34 -4.23 -0.16 -0.95 115.64 111.72 2cvl s THR 73 Ca -0.03 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 2cvl s THR 73 Cb -0.05 -1.17 0.05 0.00 1.34 0.00 0.00 72.50 72.67 2cvl s THR 73 CO -0.05 -0.04 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.99 2cvl s THR 74 N -1.00 1.90 -0.12 3.99 2.01 -0.02 -2.39 115.64 120.02 2cvl s THR 74 Ca 0.02 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.75 2cvl s THR 74 Cb -0.09 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 2cvl s THR 74 CO 0.02 0.11 -0.12 0.00 -0.69 0.00 0.00 174.62 173.94 2cvl s PHE 76 N 0.16 2.41 0.24 0.00 0.40 0.07 -2.05 117.98 119.22 2cvl s PHE 76 Ca -0.07 -0.84 0.11 0.00 -0.60 0.00 0.00 56.93 55.53 2cvl s PHE 76 Cb -0.15 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 2cvl s PHE 76 CO 0.05 -0.30 -0.20 -0.51 0.70 0.00 0.00 175.22 174.96 2cvl s LEU 77 N 0.09 2.54 -0.01 -0.37 1.43 -0.10 -1.37 118.68 120.88 2cvl s LEU 77 Ca -0.10 -0.98 0.22 0.00 -1.03 0.00 0.00 54.13 52.23 2cvl s LEU 77 Cb -0.15 -1.02 -0.27 0.00 0.03 0.00 0.00 46.19 44.77 2cvl s LEU 77 CO 0.06 0.02 0.71 0.00 0.23 0.00 0.00 176.35 177.37 2cvl n ALA 78 N -0.31 3.84 -3.00 4.21 0.00 -0.98 -0.19 120.51 124.08 2cvl n ALA 78 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2cvl n ALA 78 Cb 0.59 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2cvl n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cvl n ASP 79 N -1.86 0.13 0.00 0.00 -0.08 -1.26 -4.65 116.55 108.83 2cvl n ASP 79 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2cvl n ASP 79 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 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 -0.58 -1.26 -4.10 120.64 114.03 2cvl n GLU 81 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2cvl n GLU 81 Cb 0.00 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 31.35 2cvl n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2cvl n ASP 82 N 0.00 0.84 -0.09 1.62 8.00 -1.26 -4.38 116.55 121.29 2cvl n ASP 82 Ca 0.00 -0.82 -0.06 0.00 0.71 0.00 0.00 54.79 54.62 2cvl n ASP 82 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2cvl n ASP 82 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2cvl h PHE 83 N 1.04 -0.34 -0.17 1.24 -1.00 -2.00 -0.46 116.94 115.25 2cvl h PHE 83 Ca 0.00 0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.86 2cvl h PHE 83 Cb 0.45 0.20 -0.05 0.00 3.61 0.00 0.00 35.95 40.16 2cvl h PHE 83 CO 0.00 -0.22 -0.12 -1.35 -1.61 0.00 0.00 178.31 175.01 2cvl h PRO 84 N -0.08 -0.12 -0.74 1.51 0.11 -1.97 0.42 132.00 131.12 2cvl h PRO 84 Ca 0.17 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 2cvl h PRO 84 Cb 0.34 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 2cvl h PRO 84 CO -0.39 -0.08 0.24 0.78 -0.21 0.00 0.00 178.00 178.34 2cvl h GLY 85 N -0.12 1.24 0.99 -0.55 0.00 -1.80 -1.78 103.07 101.04 2cvl h GLY 85 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2cvl h GLY 85 CO -0.25 0.68 0.04 -2.75 0.00 0.00 0.00 176.54 174.25 2cvl h PHE 86 N 1.10 0.07 -0.95 5.60 3.04 -0.67 -2.70 116.94 122.43 2cvl h PHE 86 Ca 0.24 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.23 2cvl h PHE 86 Cb 0.29 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.72 2cvl h PHE 86 CO 0.02 0.06 0.63 -0.91 -2.02 0.00 0.00 178.31 176.09 2cvl h ASN 87 N 0.06 1.03 -0.20 0.41 2.35 -0.68 0.01 115.58 118.56 2cvl h ASN 87 Ca 0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2cvl h ASN 87 Cb 0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2cvl h ASN 87 CO -0.00 0.70 0.13 -0.08 -1.65 0.00 0.00 177.43 176.53 2cvl h GLU 88 N 1.19 0.27 -0.28 0.81 4.81 -1.06 -0.45 114.58 119.87 2cvl h GLU 88 Ca 0.38 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.42 2cvl h GLU 88 Cb 0.03 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2cvl h GLU 88 CO -0.12 0.19 -0.52 0.28 -0.73 0.00 0.00 179.01 178.11 2cvl h VAL 89 N 0.26 1.28 -0.66 0.32 2.07 -1.24 -2.97 116.25 115.33 2cvl h VAL 89 Ca 0.07 -1.72 0.09 0.00 0.82 0.00 0.00 66.70 65.96 2cvl h VAL 89 Cb -0.01 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2cvl h VAL 89 CO -0.02 0.56 0.30 0.22 0.02 0.00 0.00 177.57 178.66 2cvl h TYR 90 N 0.63 0.54 0.00 1.57 3.20 -0.79 0.68 116.97 122.80 2cvl h TYR 90 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2cvl h TYR 90 Cb 1.12 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2cvl h TYR 90 CO 0.06 0.19 0.00 0.00 -1.64 0.00 0.00 178.16 176.77 2cvl n ALA 91 N -2.42 1.64 0.11 1.82 0.00 -0.20 -1.18 120.51 120.28 2cvl n ALA 91 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.51 2cvl n ALA 91 Cb 0.26 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 2cvl n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cvl h ARG 92 N 0.00 0.00 0.00 0.00 3.08 -0.73 -3.38 114.38 113.36 2cvl h ARG 92 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2cvl h ARG 92 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 2cvl h ARG 92 CO 0.00 0.50 -2.23 0.66 -1.07 0.00 0.00 179.97 177.83 2cvl n TYR 93 N -3.16 0.00 -3.77 3.04 4.02 -0.93 -4.91 117.16 111.44 2cvl n TYR 93 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 2cvl n TYR 93 Cb 0.77 -0.84 -0.10 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.43 3.25 0.27 -0.72 0.40 -0.33 -4.87 117.98 113.55 2cvl s PHE 94 Ca -0.24 0.06 0.10 0.00 -0.60 0.00 0.00 56.93 56.24 2cvl s PHE 94 Cb 0.07 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 2cvl s PHE 94 CO 0.56 -0.00 -0.14 0.95 0.70 0.00 0.00 175.22 177.28 2cvl s THR 95 N 1.01 2.09 0.28 0.64 -4.23 -1.26 -4.43 115.64 109.74 2cvl s THR 95 Ca 0.06 -2.28 -0.30 0.00 -1.18 0.00 0.00 61.69 57.99 2cvl s THR 95 Cb -0.14 -2.30 -0.13 0.00 1.34 0.00 0.00 72.50 71.27 2cvl s THR 95 CO 0.04 -0.41 1.40 -2.65 -0.54 0.00 0.00 174.62 172.46 2cvl n PRO 96 N -0.57 2.16 -2.52 3.99 -0.02 -1.26 -3.55 135.00 133.24 2cvl n PRO 96 Ca -0.06 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2cvl n PRO 96 Cb 0.61 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.87 4.44 0.62 0.52 0.04 -1.26 -5.15 135.00 133.34 2cvl s PRO 97 Ca 0.64 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 2cvl s PRO 97 Cb -0.60 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 2cvl s PRO 97 CO 0.53 -0.26 1.04 0.71 0.04 0.00 0.00 177.00 179.07 2cvl s TYR 98 N 1.40 3.18 0.83 0.56 4.12 -1.23 -5.05 117.35 121.15 2cvl s TYR 98 Ca 0.56 1.45 -0.12 0.00 0.02 0.00 0.00 57.07 58.98 2cvl s TYR 98 Cb -0.25 -2.89 0.09 0.00 -1.52 0.00 0.00 41.96 37.38 2cvl s TYR 98 CO 0.26 -0.99 1.11 -2.14 0.02 0.00 0.00 175.55 173.81 2cvl s PRO 99 N -4.55 1.84 0.52 -1.71 0.02 -1.26 -5.01 135.00 124.85 2cvl s PRO 99 Ca 0.60 0.55 -0.18 0.00 0.02 0.00 0.00 61.00 61.99 2cvl s PRO 99 Cb -0.14 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 2cvl s PRO 99 CO 0.44 -1.77 1.03 0.00 -0.33 0.00 0.00 177.00 176.37 2cvl s ALA 100 N -3.19 2.87 -0.02 -1.55 0.00 -0.25 -4.88 121.76 114.74 2cvl s ALA 100 Ca 0.62 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 2cvl s ALA 100 Cb -0.14 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2cvl s ALA 100 CO 0.54 -0.42 0.26 0.50 0.00 0.00 0.00 175.76 176.64 2cvl s ARG 101 N -3.58 0.58 -0.06 0.00 3.52 -1.26 -0.99 118.95 117.16 2cvl s ARG 101 Ca 0.65 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.07 2cvl s ARG 101 Cb -0.15 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2cvl s ARG 101 CO 0.26 -0.15 -0.08 0.00 -0.81 0.00 0.00 175.30 174.52 2cvl s ALA 102 N -1.20 0.95 -0.02 6.12 0.00 -1.00 -4.98 121.76 121.62 2cvl s ALA 102 Ca -0.13 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2cvl s ALA 102 Cb -0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2cvl s ALA 102 CO 0.03 0.03 -0.10 0.99 0.00 0.00 0.00 175.76 176.71 2cvl s THR 103 N 0.83 0.84 0.13 0.00 2.01 -1.26 -0.76 115.64 117.43 2cvl s THR 103 Ca -0.12 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.38 2cvl s THR 103 Cb -0.15 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.63 2cvl s THR 103 CO 0.01 0.25 0.25 0.68 -0.69 0.00 0.00 174.62 175.12 2cvl s VAL 104 N 0.03 0.10 -0.10 3.82 -7.23 -0.87 -5.01 120.40 111.14 2cvl s VAL 104 Ca -0.01 -1.26 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 2cvl s VAL 104 Cb -0.07 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 2cvl s VAL 104 CO 0.00 -0.46 -0.07 0.00 -0.31 0.00 0.00 175.10 174.26 2cvl s ALA 105 N -3.91 2.93 0.37 1.32 0.00 -1.26 -0.92 121.76 120.29 2cvl s ALA 105 Ca 0.11 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2cvl s ALA 105 Cb 0.04 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 2cvl s ALA 105 CO -0.06 0.42 0.05 0.14 0.00 0.00 0.00 175.76 176.32 2cvl s VAL 106 N -0.31 1.34 0.10 0.00 -7.23 0.73 -4.92 120.40 110.12 2cvl s VAL 106 Ca 0.04 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 2cvl s VAL 106 Cb -0.13 -2.76 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 2cvl s VAL 106 CO 0.02 0.00 1.65 0.50 -0.31 0.00 0.00 175.10 176.96 2cvl h LYS 107 N 1.94 -0.46 -3.41 4.82 3.64 -1.88 -3.40 116.57 117.82 2cvl h LYS 107 Ca -0.41 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 2cvl h LYS 107 Cb 1.25 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 33.05 2cvl h LYS 107 CO 0.72 -0.31 -0.08 0.00 -2.27 0.00 0.00 179.45 177.51 2cvl s ALA 108 N -6.08 -0.88 0.30 5.00 0.00 -1.26 -4.95 121.76 113.89 2cvl s ALA 108 Ca -0.16 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.75 2cvl s ALA 108 Cb 0.07 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 2cvl s ALA 108 CO 0.65 -0.66 -0.01 -0.51 0.00 0.00 0.00 175.76 175.23 2cvl s LEU 109 N -2.82 2.40 0.15 0.00 1.43 -1.26 -5.05 118.68 113.53 2cvl s LEU 109 Ca 0.04 -1.27 -0.34 0.00 -1.03 0.00 0.00 54.13 51.53 2cvl s LEU 109 Cb 0.02 -0.55 -0.16 0.00 0.03 0.00 0.00 46.19 45.53 2cvl s LEU 109 CO -0.11 -0.46 1.26 -2.65 0.23 0.00 0.00 176.35 174.62 2cvl n PRO 110 N -0.65 1.26 -1.43 1.29 -0.02 -1.26 -1.24 135.00 132.95 2cvl n PRO 110 Ca -0.04 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2cvl n PRO 110 Cb 0.65 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 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 2.10 -1.52 -1.53 -0.52 1.74 -1.26 -2.57 116.66 113.10 2cvl n ARG 111 Ca 0.16 0.99 -0.09 0.00 -0.77 0.00 0.00 57.85 58.15 2cvl n ARG 111 Cb 0.23 -5.34 -0.03 0.00 -1.02 0.00 0.00 32.46 26.31 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 -0.12 0.74 3.78 -0.13 0.00 -0.37 -5.02 105.19 104.06 2cvl n GLY 112 Ca -0.15 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.36 2.87 -0.49 1.61 -7.23 -1.06 -4.90 120.40 108.83 2cvl s VAL 113 Ca 0.00 0.28 0.24 0.00 -1.81 0.00 0.00 61.98 60.69 2cvl s VAL 113 Cb 0.00 -2.96 0.18 0.00 0.56 0.00 0.00 36.38 34.16 2cvl s VAL 113 CO 0.00 -0.37 1.43 0.03 -0.31 0.00 0.00 175.10 175.88 2cvl h ARG 114 N -1.24 0.00 -2.39 4.82 3.08 -1.94 -3.40 114.38 113.31 2cvl h ARG 114 Ca -0.48 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.49 2cvl h ARG 114 Cb 1.28 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.12 2cvl h ARG 114 CO 0.58 0.00 -0.02 0.54 -1.07 0.00 0.00 179.97 180.00 2cvl s VAL 115 N -3.22 0.01 -0.02 2.04 0.11 -1.26 -2.31 120.40 115.75 2cvl s VAL 115 Ca 0.06 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2cvl s VAL 115 Cb 0.09 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2cvl s VAL 115 CO 0.70 -0.05 0.03 -0.70 -3.33 0.00 0.00 175.10 171.75 2cvl s GLU 116 N -0.46 -0.03 -0.07 1.54 2.12 -0.47 -4.26 118.70 117.07 2cvl s GLU 116 Ca -0.06 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2cvl s GLU 116 Cb -0.03 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.13 2cvl s GLU 116 CO 0.04 -0.17 -0.07 0.08 -0.54 0.00 0.00 175.26 174.61 2cvl s VAL 117 N 1.06 0.82 0.30 3.70 1.01 -0.55 -0.75 120.40 126.00 2cvl s VAL 117 Ca -0.09 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2cvl s VAL 117 Cb -0.13 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2cvl s VAL 117 CO -0.03 0.31 0.01 0.00 0.00 0.00 0.00 175.10 175.39 2cvl s ALA 118 N 1.19 3.21 0.27 5.51 0.00 -0.47 -0.30 121.76 131.18 2cvl s ALA 118 Ca -0.06 -1.79 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 2cvl s ALA 118 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.38 2cvl s ALA 118 CO -0.02 0.17 0.67 0.00 0.00 0.00 0.00 175.76 176.58 2cvl s VAL 120 N -3.94 0.86 0.22 0.00 1.01 -0.13 -0.70 120.40 117.72 2cvl s VAL 120 Ca 0.13 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2cvl s VAL 120 Cb -0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 2cvl s VAL 120 CO 0.07 0.29 -0.00 0.00 0.00 0.00 0.00 175.10 175.46 2cvl s ALA 121 N 0.73 1.71 0.27 5.51 0.00 -0.25 -1.03 121.76 128.70 2cvl s ALA 121 Ca -0.13 -1.72 -0.29 0.00 0.00 0.00 0.00 51.96 49.82 2cvl s ALA 121 Cb -0.15 0.50 -0.09 0.00 0.00 0.00 0.00 23.12 23.38 2cvl s ALA 121 CO 0.02 -0.26 0.98 -0.51 0.00 0.00 0.00 175.76 175.99 2cvl s LEU 122 N -3.28 4.54 0.92 0.00 1.43 -0.02 -0.03 118.68 122.24 2cvl s LEU 122 Ca 0.27 1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 55.23 2cvl s LEU 122 Cb 0.06 -3.73 0.15 0.00 0.03 0.00 0.00 46.19 42.69 2cvl s LEU 122 CO 0.08 0.02 1.20 0.00 0.23 0.00 0.00 176.35 177.87 2cvl s ALA 123 N -1.29 2.09 0.00 4.21 0.00 0.06 -4.70 121.76 122.12 2cvl s ALA 123 Ca 0.44 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2cvl s ALA 123 Cb -0.25 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2cvl s ALA 123 CO 0.32 -2.24 0.00 0.39 0.00 0.00 0.00 175.76 174.23