#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 3.34 -0.17 4.31 0.00 -1.26 -0.42 121.76 127.55 2cvl s ALA 3 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 2cvl s ALA 3 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2cvl s ALA 3 CO 0.00 -0.03 0.00 0.08 0.00 0.00 0.00 175.76 175.82 2cvl s VAL 4 N -1.25 4.25 -0.02 0.00 1.01 0.19 -4.93 120.40 119.65 2cvl s VAL 4 Ca 0.45 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2cvl s VAL 4 Cb -0.28 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2cvl s VAL 4 CO 0.36 0.48 -0.02 -0.75 0.00 0.00 0.00 175.10 175.16 2cvl s LYS 5 N 0.40 0.43 -0.03 2.72 2.20 -1.26 -3.69 119.74 120.51 2cvl s LYS 5 Ca -0.01 -0.04 -0.11 0.00 -0.36 0.00 0.00 55.97 55.45 2cvl s LYS 5 Cb -0.13 -0.50 0.02 0.00 -1.51 0.00 0.00 37.83 35.70 2cvl s LYS 5 CO 0.02 -0.04 0.24 -0.08 -0.36 0.00 0.00 175.35 175.13 2cvl s THR 6 N 0.60 0.05 -2.12 3.43 -1.32 -1.26 -5.02 115.64 110.00 2cvl s THR 6 Ca -0.06 -0.40 0.28 0.00 -1.21 0.00 0.00 61.69 60.29 2cvl s THR 6 Cb -0.10 -0.49 0.46 0.00 -1.51 0.00 0.00 72.50 70.87 2cvl s THR 6 CO -0.01 -0.22 1.72 -0.90 -2.21 0.00 0.00 174.62 173.00 2cvl n ASP 7 N 1.82 1.14 -0.13 8.08 5.75 -1.26 -3.73 116.55 128.22 2cvl n ASP 7 Ca -0.19 -1.16 0.15 0.00 -0.01 0.00 0.00 54.79 53.58 2cvl n ASP 7 Cb 0.56 0.04 0.70 0.00 -1.03 0.00 0.00 41.12 41.39 2cvl n ASP 7 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2cvl n ARG 8 N -0.30 0.89 -4.12 0.11 5.12 -1.26 -4.77 116.66 112.32 2cvl n ARG 8 Ca 0.16 -0.26 -0.13 0.00 -1.93 0.00 0.00 57.85 55.69 2cvl n ARG 8 Cb 0.33 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.03 2cvl n ARG 8 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cvl s ALA 9 N -2.29 0.82 0.59 7.54 0.00 -1.24 -4.76 121.76 122.41 2cvl s ALA 9 Ca 0.35 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 2cvl s ALA 9 Cb 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2cvl s ALA 9 CO 0.43 -0.05 1.19 -0.35 0.00 0.00 0.00 175.76 176.98 2cvl n PRO 10 N 0.97 1.22 -1.86 0.00 -0.04 -1.26 -4.77 135.00 129.26 2cvl n PRO 10 Ca -0.19 0.46 -0.34 0.00 -0.04 0.00 0.00 63.50 63.39 2cvl n PRO 10 Cb 0.56 -2.40 0.04 0.00 -0.04 0.00 0.00 33.50 31.67 2cvl n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cvl s ALA 11 N -1.39 2.47 0.48 0.55 0.00 -1.26 -4.95 121.76 117.65 2cvl s ALA 11 Ca 0.76 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 53.25 2cvl s ALA 11 Cb -0.41 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 2cvl s ALA 11 CO 0.46 -1.25 1.36 0.00 0.00 0.00 0.00 175.76 176.32 2cvl s ALA 12 N -1.99 3.05 -0.31 0.00 0.00 -1.26 -4.91 121.76 116.33 2cvl s ALA 12 Ca 0.72 1.33 0.09 0.00 0.00 0.00 0.00 51.96 54.10 2cvl s ALA 12 Cb -0.25 -3.55 0.59 0.00 0.00 0.00 0.00 23.12 19.92 2cvl s ALA 12 CO 0.37 -1.16 1.62 0.44 0.00 0.00 0.00 175.76 177.04 2cvl n ILE 13 N -0.50 2.73 -3.85 0.00 -5.35 -1.26 -4.98 119.36 106.15 2cvl n ILE 13 Ca 0.07 -2.22 -0.06 0.00 -0.27 0.00 0.00 62.75 60.28 2cvl n ILE 13 Cb 0.44 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 38.01 2cvl n ILE 13 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2cvl s GLY 14 N -1.89 0.28 -1.22 3.28 0.00 -1.26 -5.06 107.32 101.46 2cvl s GLY 14 Ca 0.49 -0.59 -0.17 0.00 0.00 0.00 0.00 44.72 44.45 2cvl s GLY 14 CO 0.06 1.24 2.06 -1.55 0.00 0.00 0.00 173.10 174.91 2cvl n PRO 15 N -0.63 2.41 -3.66 2.90 -0.04 -1.26 -4.85 135.00 129.87 2cvl n PRO 15 Ca -0.06 -2.46 -0.13 0.00 -0.04 0.00 0.00 63.50 60.81 2cvl n PRO 15 Cb 0.60 -3.24 -0.07 0.00 -0.04 0.00 0.00 33.50 30.75 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 4.40 -0.31 0.18 0.54 -0.85 -1.26 -5.16 117.35 114.90 2cvl s TYR 16 Ca 0.52 0.34 -0.12 0.00 -0.52 0.00 0.00 57.07 57.30 2cvl s TYR 16 Cb 0.12 0.23 -0.07 0.00 0.38 0.00 0.00 41.96 42.62 2cvl s TYR 16 CO 0.01 -0.55 0.54 0.00 -1.52 0.00 0.00 175.55 174.03 2cvl s ALA 17 N -2.18 3.58 0.32 9.51 0.00 -1.26 -4.73 121.76 127.00 2cvl s ALA 17 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2cvl s ALA 17 Cb -0.01 -2.47 0.69 0.00 0.00 0.00 0.00 23.12 21.33 2cvl s ALA 17 CO -0.00 0.49 1.85 1.96 0.00 0.00 0.00 175.76 180.05 2cvl h GLN 18 N 3.08 0.81 -2.91 0.00 4.20 -1.95 -3.40 115.11 114.95 2cvl h GLN 18 Ca -0.48 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 2cvl h GLN 18 Cb 1.18 -0.18 -0.13 0.00 0.30 0.00 0.00 27.48 28.65 2cvl h GLN 18 CO 0.67 0.54 0.21 0.00 -0.67 0.00 0.00 178.83 179.58 2cvl s ALA 19 N -5.82 -1.62 -0.03 3.87 0.00 -1.24 -1.04 121.76 115.89 2cvl s ALA 19 Ca -0.11 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2cvl s ALA 19 Cb 0.22 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2cvl s ALA 19 CO 0.80 -0.74 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 2cvl s VAL 20 N -3.53 0.62 -0.22 0.00 1.01 0.01 -0.64 120.40 117.65 2cvl s VAL 20 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 2cvl s VAL 20 Cb -0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2cvl s VAL 20 CO -0.11 0.22 0.16 -0.54 0.00 0.00 0.00 175.10 174.83 2cvl s LYS 21 N 0.51 4.13 -0.23 2.72 1.02 0.43 -0.36 119.74 127.95 2cvl s LYS 21 Ca -0.07 -0.23 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 2cvl s LYS 21 Cb -0.11 -3.49 0.11 0.00 -0.52 0.00 0.00 37.83 33.82 2cvl s LYS 21 CO 0.00 0.16 0.94 0.00 -0.92 0.00 0.00 175.35 175.54 2cvl s ALA 22 N 0.77 -1.91 -1.75 5.17 0.00 -0.45 -2.51 121.76 121.07 2cvl s ALA 22 Ca 0.08 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2cvl s ALA 22 Cb -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2cvl s ALA 22 CO 0.02 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2cvl n GLY 23 N 1.87 0.77 1.49 0.00 0.00 -1.26 -1.30 105.19 106.77 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 -0.59 0.75 3.59 -0.02 0.00 -1.26 -5.04 105.19 102.62 2cvl n GLY 24 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.95 2.48 -0.17 1.61 0.40 -0.42 -0.87 117.98 118.06 2cvl s PHE 25 Ca 0.00 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 2cvl s PHE 25 Cb 0.00 -1.62 0.03 0.00 0.51 0.00 0.00 43.02 41.94 2cvl s PHE 25 CO 0.00 0.50 -0.12 0.08 0.70 0.00 0.00 175.22 176.38 2cvl s VAL 26 N -2.66 1.57 -0.36 -0.44 1.01 0.11 -1.35 120.40 118.27 2cvl s VAL 26 Ca 0.34 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2cvl s VAL 26 Cb 0.07 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2cvl s VAL 26 CO 0.18 0.33 0.33 -0.36 0.00 0.00 0.00 175.10 175.58 2cvl s PHE 27 N 1.46 3.21 -0.21 5.22 0.08 0.51 -1.28 117.98 126.98 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 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 2cvl s PHE 27 CO -0.10 -0.47 0.12 0.08 -0.10 0.00 0.00 175.22 174.75 2cvl s VAL 28 N 1.92 5.22 0.87 -0.44 1.01 0.16 -0.81 120.40 128.33 2cvl s VAL 28 Ca 0.09 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 2cvl s VAL 28 Cb -0.17 -3.39 0.12 0.00 0.00 0.00 0.00 36.38 32.94 2cvl s VAL 28 CO 0.11 0.42 1.14 -0.44 0.00 0.00 0.00 175.10 176.33 2cvl s SER 29 N 0.59 3.31 -0.07 3.32 0.01 -0.20 -2.42 113.70 118.24 2cvl s SER 29 Ca 0.07 2.14 -0.29 0.00 1.31 0.00 0.00 55.95 59.17 2cvl s SER 29 Cb -0.12 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 2cvl s SER 29 CO 0.00 -2.84 1.87 -0.83 0.41 0.00 0.00 173.24 171.85 2cvl s GLY 30 N -2.76 1.29 0.06 3.44 0.00 -1.26 -4.42 107.32 103.66 2cvl s GLY 30 Ca 0.66 1.01 -0.21 0.00 0.00 0.00 0.00 44.72 46.18 2cvl s GLY 30 CO 0.57 3.34 0.61 1.20 0.00 0.00 0.00 173.10 178.82 2cvl s GLN 31 N 4.69 4.29 0.36 2.90 -1.52 0.71 -4.78 119.66 126.30 2cvl s GLN 31 Ca 0.84 0.79 0.09 0.00 -1.95 0.00 0.00 55.36 55.13 2cvl s GLN 31 Cb -0.36 -3.28 -0.06 0.00 -0.22 0.00 0.00 33.01 29.09 2cvl s GLN 31 CO 0.36 0.53 -0.03 0.96 -0.25 0.00 0.00 175.29 176.85 2cvl s ILE 32 N -0.76 2.32 -0.97 1.08 -4.36 -1.26 -1.57 121.20 115.68 2cvl s ILE 32 Ca 0.31 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.54 2cvl s ILE 32 Cb -0.19 -2.77 -0.06 0.00 1.25 0.00 0.00 42.46 40.68 2cvl s ILE 32 CO 0.19 -0.16 2.16 -0.81 0.24 0.00 0.00 174.94 176.56 2cvl n PRO 33 N -0.90 2.16 -4.50 0.37 -0.04 -1.26 -4.50 135.00 126.34 2cvl n PRO 33 Ca -0.05 -1.59 -0.33 0.00 -0.04 0.00 0.00 63.50 61.49 2cvl n PRO 33 Cb 0.64 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 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 0.28 3.27 0.71 1.53 1.43 -1.26 -0.43 118.68 124.22 2cvl s LEU 34 Ca 0.44 -0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2cvl s LEU 34 Cb 0.11 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2cvl s LEU 34 CO -0.02 0.33 1.08 0.00 0.23 0.00 0.00 176.35 177.97 2cvl s ALA 35 N -0.91 2.92 0.55 4.21 0.00 0.88 -4.52 121.76 124.89 2cvl s ALA 35 Ca 0.15 -0.50 0.28 0.00 0.00 0.00 0.00 51.96 51.89 2cvl s ALA 35 Cb -0.11 -2.92 1.46 0.00 0.00 0.00 0.00 23.12 21.54 2cvl s ALA 35 CO 0.05 -1.22 1.94 -1.35 0.00 0.00 0.00 175.76 175.17 2cvl h PRO 36 N -0.67 0.00 -0.05 0.00 0.11 -1.86 0.19 132.00 129.73 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2cvl h PRO 36 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 2cvl n ASP 37 N -4.15 0.42 0.00 -2.05 5.68 -1.26 -4.38 116.55 110.82 2cvl n ASP 37 Ca 0.12 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 2cvl n ASP 37 Cb 0.72 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.84 1.49 3.78 6.12 0.00 0.68 -5.04 105.19 113.06 2cvl n GLY 38 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2cvl n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cvl s SER 39 N -3.07 6.95 0.17 1.61 1.04 -1.26 -4.70 113.70 114.45 2cvl s SER 39 Ca 0.00 2.03 -0.30 0.00 0.48 0.00 0.00 55.95 58.16 2cvl s SER 39 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2cvl s SER 39 CO 0.00 -0.35 0.98 -0.22 0.98 0.00 0.00 173.24 174.62 2cvl s LEU 40 N -2.34 4.56 -0.51 2.42 0.20 -1.26 -0.08 118.68 121.66 2cvl s LEU 40 Ca 0.54 1.90 -0.19 0.00 0.69 0.00 0.00 54.13 57.08 2cvl s LEU 40 Cb -0.23 -3.60 0.06 0.00 -0.43 0.00 0.00 46.19 42.00 2cvl s LEU 40 CO 0.29 -0.01 0.61 -0.69 -0.29 0.00 0.00 176.35 176.26 2cvl s VAL 41 N -0.50 4.91 0.37 1.68 1.01 0.43 -4.88 120.40 123.41 2cvl s VAL 41 Ca 0.45 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2cvl s VAL 41 Cb -0.25 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2cvl s VAL 41 CO 0.32 -0.81 0.60 -1.61 0.00 0.00 0.00 175.10 173.60 2cvl s GLU 42 N 2.52 3.51 0.00 2.72 2.02 -1.26 -4.69 118.70 123.53 2cvl s GLU 42 Ca 0.13 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.95 2cvl s GLU 42 Cb -0.20 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2cvl s GLU 42 CO 0.11 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.87 2cvl n GLY 43 N -1.80 0.97 3.69 -1.39 0.00 -1.26 -4.86 105.19 100.53 2cvl n GLY 43 Ca -0.03 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 1.70 0.39 1.61 -4.77 -1.26 -4.75 116.67 105.58 2cvl s ASP 44 Ca 0.00 0.60 0.05 0.00 -3.30 0.00 0.00 52.55 49.91 2cvl s ASP 44 Cb 0.00 -0.85 0.78 0.00 -1.09 0.00 0.00 42.92 41.76 2cvl s ASP 44 CO 0.00 -3.64 2.04 -0.29 0.70 0.00 0.00 175.17 173.97 2cvl h ILE 45 N -2.25 1.13 -0.32 2.11 6.09 -1.96 -2.16 117.51 120.14 2cvl h ILE 45 Ca -0.46 -0.25 -0.04 0.00 -1.37 0.00 0.00 64.86 62.74 2cvl h ILE 45 Cb 1.29 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 2cvl h ILE 45 CO 0.38 0.13 0.05 0.03 -3.07 0.00 0.00 178.15 175.67 2cvl h ARG 46 N 0.65 0.53 -0.41 2.19 3.08 -1.92 0.13 114.38 118.62 2cvl h ARG 46 Ca 0.17 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2cvl h ARG 46 Cb -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2cvl h ARG 46 CO -0.04 0.62 -0.22 -0.24 -1.07 0.00 0.00 179.97 179.02 2cvl h VAL 47 N 0.36 1.28 -0.27 2.04 3.04 -1.87 -1.93 116.25 118.90 2cvl h VAL 47 Ca 0.10 -1.37 -0.14 0.00 -1.01 0.00 0.00 66.70 64.28 2cvl h VAL 47 Cb 0.34 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2cvl h VAL 47 CO 0.01 0.46 -0.41 1.56 -1.01 0.00 0.00 177.57 178.18 2cvl h GLN 48 N 0.70 0.64 -0.27 4.17 4.20 -1.34 -2.76 115.11 120.45 2cvl h GLN 48 Ca 0.09 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 2cvl h GLN 48 Cb 0.78 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2cvl h GLN 48 CO 0.06 0.94 -0.26 1.15 -0.67 0.00 0.00 178.83 180.05 2cvl h THR 49 N 0.53 1.27 -0.49 -0.54 2.02 -0.67 -1.53 112.91 113.50 2cvl h THR 49 Ca 0.04 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 2cvl h THR 49 Cb 0.93 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2cvl h THR 49 CO 0.08 0.42 0.30 -0.08 0.37 0.00 0.00 175.52 176.61 2cvl h GLU 50 N 0.47 0.67 -0.60 6.66 4.81 -1.17 -2.46 114.58 122.96 2cvl h GLU 50 Ca 0.07 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2cvl h GLU 50 Cb 0.70 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2cvl h GLU 50 CO 0.05 0.49 0.24 -0.09 -0.73 0.00 0.00 179.01 178.98 2cvl h ARG 51 N 0.66 0.89 -0.52 1.92 9.65 -1.21 -0.77 114.38 125.00 2cvl h ARG 51 Ca 0.18 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2cvl h ARG 51 Cb -0.01 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 2cvl h ARG 51 CO -0.03 0.76 0.00 0.28 2.80 0.00 0.00 179.97 183.78 2cvl n VAL 52 N -4.47 0.01 0.00 0.20 0.31 -0.60 -1.22 118.33 112.56 2cvl n VAL 52 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2cvl n VAL 52 Cb 0.16 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.62 0.00 -0.10 5.55 -0.58 -0.30 -1.15 120.64 124.69 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 0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.63 -0.46 1.62 2.35 -1.42 -1.22 115.58 117.08 2cvl h ASN 55 Ca 0.00 -0.42 0.04 0.00 -0.55 0.00 0.00 56.30 55.37 2cvl h ASN 55 Cb 0.00 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 2cvl h ASN 55 CO 0.00 0.91 0.22 -0.07 -1.65 0.00 0.00 177.43 176.84 2cvl h LEU 56 N 0.35 0.32 -0.51 1.61 3.38 -1.40 -0.59 115.31 118.47 2cvl h LEU 56 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2cvl h LEU 56 Cb 0.68 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2cvl h LEU 56 CO 0.04 0.22 0.32 0.50 0.09 0.00 0.00 178.44 179.62 2cvl h LYS 57 N 0.44 0.68 -0.55 1.13 3.64 -1.80 -0.39 116.57 119.73 2cvl h LYS 57 Ca 0.20 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2cvl h LYS 57 Cb 0.12 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2cvl h LYS 57 CO -0.15 0.48 0.25 0.00 -2.27 0.00 0.00 179.45 177.76 2cvl h ALA 58 N 1.16 0.71 -0.32 5.00 0.00 -0.72 -1.12 119.26 123.96 2cvl h ALA 58 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2cvl h ALA 58 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2cvl h ALA 58 CO -0.04 0.29 -0.11 0.28 0.00 0.00 0.00 179.25 179.68 2cvl h VAL 59 N 0.74 1.28 -0.72 0.00 2.07 -0.91 -2.08 116.25 116.63 2cvl h VAL 59 Ca 0.19 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2cvl h VAL 59 Cb 0.15 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2cvl h VAL 59 CO -0.02 0.38 0.43 -0.07 0.02 0.00 0.00 177.57 178.31 2cvl h LEU 60 N 0.42 0.88 -0.96 2.57 3.38 -0.93 -1.86 115.31 118.79 2cvl h LEU 60 Ca 0.08 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2cvl h LEU 60 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2cvl h LEU 60 CO 0.04 0.69 -0.34 -0.33 0.09 0.00 0.00 178.44 178.59 2cvl h GLU 61 N 0.99 0.33 0.00 1.13 5.08 -1.15 0.11 114.58 121.07 2cvl h GLU 61 Ca 0.26 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2cvl h GLU 61 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2cvl h GLU 61 CO -0.05 0.63 -0.22 0.00 -1.00 0.00 0.00 179.01 178.37 2cvl h ALA 62 N 1.36 1.16 -0.09 3.43 0.00 -0.85 -1.93 119.26 122.33 2cvl h ALA 62 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2cvl h ALA 62 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2cvl h ALA 62 CO 0.06 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2cvl n ALA 63 N -2.28 2.56 -0.97 0.00 0.00 -0.75 -4.89 120.51 114.17 2cvl n ALA 63 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2cvl n ALA 63 Cb 0.36 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.09 0.43 0.00 0.00 0.00 -0.73 -5.01 105.19 100.97 2cvl n GLY 64 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.32 0.97 -3.64 1.61 2.88 0.32 -4.79 113.62 112.30 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 -0.01 -0.37 0.40 0.46 0.00 -1.25 -3.67 107.32 102.87 2cvl s GLY 66 Ca 0.00 0.60 0.09 0.00 0.00 0.00 0.00 44.72 45.41 2cvl s GLY 66 CO 0.00 1.01 1.99 1.41 0.00 0.00 0.00 173.10 177.51 2cvl h LEU 67 N 2.00 0.51 -0.06 0.66 3.38 -1.92 -0.74 115.31 119.15 2cvl h LEU 67 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2cvl h LEU 67 Cb 1.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2cvl h LEU 67 CO 0.29 0.33 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 2cvl n SER 68 N -4.48 0.07 -0.63 -0.43 3.41 -1.26 -2.33 113.62 107.97 2cvl n SER 68 Ca 0.09 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2cvl n SER 68 Cb 0.24 -0.53 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.57 1.59 -2.16 4.33 5.12 -0.29 -4.95 116.66 118.73 2cvl n ARG 69 Ca 0.04 -1.28 -0.42 0.00 -1.93 0.00 0.00 57.85 54.26 2cvl n ARG 69 Cb 0.21 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 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 -2.23 3.30 -0.02 1.55 1.01 -0.99 -1.10 120.40 121.92 2cvl s VAL 70 Ca 0.21 0.92 0.11 0.00 0.00 0.00 0.00 61.98 63.22 2cvl s VAL 70 Cb 0.18 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.80 2cvl s VAL 70 CO 0.46 0.07 0.24 1.33 0.00 0.00 0.00 175.10 177.19 2cvl n VAL 71 N 4.01 0.01 -3.73 2.92 0.24 0.03 -4.37 118.33 117.44 2cvl n VAL 71 Ca 0.12 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2cvl n VAL 71 Cb 0.42 0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 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 -2.76 0.46 0.05 7.34 0.74 -0.92 -0.90 119.66 123.67 2cvl s GLN 72 Ca -0.04 0.60 0.05 0.00 0.05 0.00 0.00 55.36 56.02 2cvl s GLN 72 Cb 0.07 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.35 2cvl s GLN 72 CO 0.46 -0.07 -0.14 0.95 -0.55 0.00 0.00 175.29 175.93 2cvl s THR 73 N 0.41 1.13 -0.24 -0.34 -4.23 -0.47 -0.64 115.64 111.25 2cvl s THR 73 Ca -0.02 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 2cvl s THR 73 Cb -0.04 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.82 2cvl s THR 73 CO -0.02 -0.06 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.02 2cvl s THR 74 N -0.97 1.89 -0.14 3.99 2.01 -0.10 -2.45 115.64 119.87 2cvl s THR 74 Ca 0.01 -1.41 -0.02 0.00 0.31 0.00 0.00 61.69 60.58 2cvl s THR 74 Cb -0.08 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2cvl s THR 74 CO 0.02 -0.02 -0.08 0.00 -0.69 0.00 0.00 174.62 173.85 2cvl s PHE 76 N 0.28 2.10 0.19 0.00 0.40 -0.10 -1.85 117.98 119.00 2cvl s PHE 76 Ca -0.06 -0.63 0.10 0.00 -0.60 0.00 0.00 56.93 55.74 2cvl s PHE 76 Cb -0.15 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2cvl s PHE 76 CO 0.04 -0.21 -0.22 -0.51 0.70 0.00 0.00 175.22 175.03 2cvl s LEU 77 N -0.03 2.44 0.09 -0.37 1.43 -0.18 -1.43 118.68 120.62 2cvl s LEU 77 Ca -0.05 -0.87 0.23 0.00 -1.03 0.00 0.00 54.13 52.41 2cvl s LEU 77 Cb -0.13 -1.03 0.11 0.00 0.03 0.00 0.00 46.19 45.17 2cvl s LEU 77 CO 0.03 0.06 1.09 0.00 0.23 0.00 0.00 176.35 177.76 2cvl n ALA 78 N 0.24 3.12 -3.00 4.21 0.00 -0.91 0.23 120.51 124.40 2cvl n ALA 78 Ca -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2cvl n ALA 78 Cb 0.57 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.11 0.00 0.00 0.00 -0.08 -1.26 -4.65 116.55 108.44 2cvl n ASP 79 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2cvl n ASP 79 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.01 -0.67 1.02 -1.26 -4.14 120.64 115.58 2cvl n GLU 81 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 2cvl n GLU 81 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 31.90 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 1.65 -0.09 1.62 8.00 -1.26 -4.42 116.55 122.05 2cvl n ASP 82 Ca 0.00 -1.56 -0.06 0.00 0.71 0.00 0.00 54.79 53.88 2cvl n ASP 82 Cb 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 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 2.55 0.06 0.11 1.24 -1.00 -2.00 -1.33 116.94 116.56 2cvl h PHE 83 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2cvl h PHE 83 Cb 0.54 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 2cvl h PHE 83 CO 0.01 -0.01 -0.09 -1.35 -1.61 0.00 0.00 178.31 175.26 2cvl h PRO 84 N 0.15 -0.20 -0.84 1.51 0.11 -1.97 -0.72 132.00 130.04 2cvl h PRO 84 Ca 0.16 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2cvl h PRO 84 Cb 0.19 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 2cvl h PRO 84 CO -0.23 -0.13 0.49 0.78 -0.21 0.00 0.00 178.00 178.70 2cvl h GLY 85 N -0.21 1.23 0.97 -0.55 0.00 -1.83 -1.57 103.07 101.10 2cvl h GLY 85 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2cvl h GLY 85 CO -0.01 0.51 0.06 -2.75 0.00 0.00 0.00 176.54 174.34 2cvl h PHE 86 N 1.16 0.12 -0.96 5.60 3.04 -1.04 -2.74 116.94 122.11 2cvl h PHE 86 Ca 0.30 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.26 2cvl h PHE 86 Cb -0.02 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.40 2cvl h PHE 86 CO -0.00 0.12 0.63 -0.91 -2.02 0.00 0.00 178.31 176.13 2cvl h ASN 87 N 0.09 1.10 0.02 0.41 2.35 -0.82 -0.31 115.58 118.42 2cvl h ASN 87 Ca 0.03 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2cvl h ASN 87 Cb 0.03 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2cvl h ASN 87 CO -0.01 0.79 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.39 2cvl h GLU 88 N 1.29 -0.17 -0.23 0.81 4.81 -1.12 -0.74 114.58 119.23 2cvl h GLU 88 Ca 0.35 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.51 2cvl h GLU 88 Cb -0.14 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2cvl h GLU 88 CO -0.08 -0.11 -0.17 0.28 -0.73 0.00 0.00 179.01 178.20 2cvl h VAL 89 N -0.18 1.31 -0.78 0.32 2.07 -1.31 -3.10 116.25 114.59 2cvl h VAL 89 Ca 0.03 -1.29 0.12 0.00 0.82 0.00 0.00 66.70 66.38 2cvl h VAL 89 Cb 0.21 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 2cvl h VAL 89 CO -0.08 0.40 0.39 0.22 0.02 0.00 0.00 177.57 178.51 2cvl h TYR 90 N 0.22 0.68 0.00 1.57 3.20 -0.95 -0.98 116.97 120.71 2cvl h TYR 90 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2cvl h TYR 90 Cb 0.70 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2cvl h TYR 90 CO 0.07 0.19 0.00 0.00 -1.64 0.00 0.00 178.16 176.78 2cvl h ALA 91 N 1.50 1.00 0.00 1.82 0.00 -1.05 -2.33 119.26 120.20 2cvl h ALA 91 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2cvl h ALA 91 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2cvl h ALA 91 CO -0.33 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 178.76 2cvl h ARG 92 N 0.00 0.00 -0.01 0.00 3.08 -1.16 -3.25 114.38 113.04 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 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2cvl h ARG 92 CO 0.00 0.16 -0.47 0.66 -1.07 0.00 0.00 179.97 179.25 2cvl n TYR 93 N -3.21 0.00 -4.27 3.04 4.02 -0.88 -4.95 117.16 110.92 2cvl n TYR 93 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 2cvl n TYR 93 Cb 0.49 -0.11 -0.10 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 -2.69 1.45 0.02 -0.72 0.40 -1.23 -4.84 117.98 110.37 2cvl s PHE 94 Ca 0.18 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 2cvl s PHE 94 Cb 0.18 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.97 2cvl s PHE 94 CO 0.62 0.19 -0.02 0.95 0.70 0.00 0.00 175.22 177.66 2cvl s THR 95 N -2.74 0.11 0.22 0.64 -4.23 -1.26 -4.92 115.64 103.46 2cvl s THR 95 Ca 0.15 -0.94 -0.31 0.00 -1.18 0.00 0.00 61.69 59.41 2cvl s THR 95 Cb -0.01 -0.33 -0.15 0.00 1.34 0.00 0.00 72.50 73.34 2cvl s THR 95 CO 0.03 -0.52 1.10 -2.65 -0.54 0.00 0.00 174.62 172.04 2cvl n PRO 96 N 1.51 1.23 -2.65 3.99 -0.02 -1.26 -3.93 135.00 133.88 2cvl n PRO 96 Ca -0.23 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2cvl n PRO 96 Cb 0.55 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.81 4.63 0.54 0.52 0.04 -1.26 -5.16 135.00 133.50 2cvl s PRO 97 Ca 0.68 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 2cvl s PRO 97 Cb -0.79 -3.37 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 2cvl s PRO 97 CO 0.55 0.09 1.00 0.71 0.04 0.00 0.00 177.00 179.39 2cvl s TYR 98 N 0.22 3.42 0.81 0.56 1.51 -1.25 -5.05 117.35 117.57 2cvl s TYR 98 Ca 0.49 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.89 2cvl s TYR 98 Cb -0.25 -2.81 0.08 0.00 -0.11 0.00 0.00 41.96 38.87 2cvl s TYR 98 CO 0.31 -0.51 1.09 -2.14 -1.11 0.00 0.00 175.55 173.19 2cvl s PRO 99 N -4.25 1.95 0.61 -1.71 0.02 -1.26 -5.02 135.00 125.35 2cvl s PRO 99 Ca 0.59 0.81 -0.14 0.00 0.02 0.00 0.00 61.00 62.28 2cvl s PRO 99 Cb -0.11 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 2cvl s PRO 99 CO 0.36 -1.76 1.05 0.00 -0.33 0.00 0.00 177.00 176.32 2cvl s ALA 100 N -3.03 2.78 -0.02 -1.55 0.00 -0.08 -4.90 121.76 114.97 2cvl s ALA 100 Ca 0.61 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 2cvl s ALA 100 Cb -0.16 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2cvl s ALA 100 CO 0.55 -0.84 0.40 0.50 0.00 0.00 0.00 175.76 176.37 2cvl s ARG 101 N -4.39 0.77 -0.06 0.00 3.52 -1.26 -1.37 118.95 116.16 2cvl s ARG 101 Ca 0.61 -0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 56.10 2cvl s ARG 101 Cb -0.14 0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.62 2cvl s ARG 101 CO 0.42 -0.22 -0.01 0.00 -0.81 0.00 0.00 175.30 174.68 2cvl s ALA 102 N -1.38 0.61 -0.04 6.12 0.00 -1.03 -4.99 121.76 121.05 2cvl s ALA 102 Ca -0.12 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.82 2cvl s ALA 102 Cb -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2cvl s ALA 102 CO 0.05 -0.28 -0.12 0.99 0.00 0.00 0.00 175.76 176.40 2cvl s THR 103 N 1.54 1.07 0.05 0.00 2.01 -1.26 -0.58 115.64 118.48 2cvl s THR 103 Ca -0.02 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 2cvl s THR 103 Cb -0.13 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2cvl s THR 103 CO -0.03 0.32 0.21 0.68 -0.69 0.00 0.00 174.62 175.11 2cvl s VAL 104 N 0.25 0.11 -0.19 3.82 -7.23 -0.77 -5.01 120.40 111.38 2cvl s VAL 104 Ca -0.06 -0.94 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 2cvl s VAL 104 Cb -0.11 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2cvl s VAL 104 CO 0.02 -0.52 0.12 0.00 -0.31 0.00 0.00 175.10 174.41 2cvl s ALA 105 N -2.92 3.68 0.48 1.32 0.00 -1.26 -1.01 121.76 122.05 2cvl s ALA 105 Ca -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2cvl s ALA 105 Cb 0.01 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 2cvl s ALA 105 CO -0.06 0.21 0.08 0.14 0.00 0.00 0.00 175.76 176.13 2cvl s VAL 106 N 0.21 1.54 0.08 0.00 -7.23 0.14 -4.91 120.40 110.23 2cvl s VAL 106 Ca 0.08 -1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 2cvl s VAL 106 Cb -0.11 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 2cvl s VAL 106 CO -0.01 0.00 1.55 0.50 -0.31 0.00 0.00 175.10 176.83 2cvl h LYS 107 N 1.36 0.35 -2.96 4.82 3.64 -1.87 -3.40 116.57 118.51 2cvl h LYS 107 Ca -0.43 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 2cvl h LYS 107 Cb 1.29 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 2cvl h LYS 107 CO 0.73 0.50 0.10 0.00 -2.27 0.00 0.00 179.45 178.51 2cvl s ALA 108 N -5.16 -1.39 0.31 5.00 0.00 -1.26 -4.96 121.76 114.30 2cvl s ALA 108 Ca -0.14 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2cvl s ALA 108 Cb 0.07 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 2cvl s ALA 108 CO 0.73 -0.65 -0.01 -0.51 0.00 0.00 0.00 175.76 175.32 2cvl s LEU 109 N -2.45 2.42 0.31 0.00 1.43 -1.26 -5.04 118.68 114.09 2cvl s LEU 109 Ca -0.01 -1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 51.52 2cvl s LEU 109 Cb -0.00 -0.57 -0.13 0.00 0.03 0.00 0.00 46.19 45.52 2cvl s LEU 109 CO -0.08 -0.46 1.29 -2.65 0.23 0.00 0.00 176.35 174.68 2cvl n PRO 110 N -0.67 2.02 -1.25 1.29 -0.02 -1.26 -1.46 135.00 133.65 2cvl n PRO 110 Ca -0.04 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 2cvl n PRO 110 Cb 0.65 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.93 -1.64 -1.60 -0.52 5.12 -1.26 -2.62 116.66 115.07 2cvl n ARG 111 Ca 0.07 0.79 -0.13 0.00 -1.93 0.00 0.00 57.85 56.65 2cvl n ARG 111 Cb 0.34 -5.16 -0.04 0.00 -1.16 0.00 0.00 32.46 26.45 2cvl n ARG 111 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cvl n GLY 112 N 0.15 0.97 3.71 -0.13 0.00 -0.53 -5.00 105.19 104.36 2cvl n GLY 112 Ca -0.09 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.52 2.31 -0.25 1.61 -7.23 -1.08 -4.90 120.40 108.34 2cvl s VAL 113 Ca 0.00 0.10 0.22 0.00 -1.81 0.00 0.00 61.98 60.49 2cvl s VAL 113 Cb 0.00 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.34 2cvl s VAL 113 CO 0.00 -0.13 1.11 0.03 -0.31 0.00 0.00 175.10 175.80 2cvl h ARG 114 N -1.69 0.00 -2.86 4.82 3.08 -1.94 -3.40 114.38 112.38 2cvl h ARG 114 Ca -0.52 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.41 2cvl h ARG 114 Cb 1.31 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.14 2cvl h ARG 114 CO 0.57 0.03 -0.24 0.54 -1.07 0.00 0.00 179.97 179.80 2cvl s VAL 115 N -3.30 0.03 -0.05 2.04 0.11 -1.26 -2.13 120.40 115.83 2cvl s VAL 115 Ca 0.00 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2cvl s VAL 115 Cb 0.09 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2cvl s VAL 115 CO 0.77 -0.12 0.10 -0.70 -3.33 0.00 0.00 175.10 171.82 2cvl s GLU 116 N -0.59 0.01 -0.10 1.54 2.12 -0.52 -4.25 118.70 116.92 2cvl s GLU 116 Ca -0.07 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.62 2cvl s GLU 116 Cb -0.04 -0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.09 2cvl s GLU 116 CO 0.03 -0.22 -0.10 0.08 -0.54 0.00 0.00 175.26 174.50 2cvl s VAL 117 N 1.54 1.11 0.32 3.70 1.01 -0.61 -0.92 120.40 126.55 2cvl s VAL 117 Ca -0.04 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.63 2cvl s VAL 117 Cb -0.12 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 2cvl s VAL 117 CO -0.04 0.37 0.07 0.00 0.00 0.00 0.00 175.10 175.49 2cvl s ALA 118 N 1.26 3.33 0.27 5.51 0.00 -0.51 -0.21 121.76 131.42 2cvl s ALA 118 Ca -0.03 -1.81 -0.19 0.00 0.00 0.00 0.00 51.96 49.93 2cvl s ALA 118 Cb -0.14 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2cvl s ALA 118 CO -0.04 0.11 0.67 0.00 0.00 0.00 0.00 175.76 176.50 2cvl s VAL 120 N -3.91 1.10 0.16 0.00 1.01 0.18 -0.67 120.40 118.28 2cvl s VAL 120 Ca 0.14 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2cvl s VAL 120 Cb -0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2cvl s VAL 120 CO 0.08 0.34 -0.02 0.00 0.00 0.00 0.00 175.10 175.50 2cvl s ALA 121 N 0.53 1.35 0.25 5.51 0.00 -0.40 -0.79 121.76 128.20 2cvl s ALA 121 Ca -0.12 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 2cvl s ALA 121 Cb -0.14 0.41 -0.09 0.00 0.00 0.00 0.00 23.12 23.30 2cvl s ALA 121 CO 0.03 -0.27 0.97 -0.51 0.00 0.00 0.00 175.76 175.98 2cvl s LEU 122 N -3.16 4.62 0.40 0.00 1.43 -0.26 0.05 118.68 121.76 2cvl s LEU 122 Ca 0.21 2.01 0.20 0.00 -1.03 0.00 0.00 54.13 55.52 2cvl s LEU 122 Cb 0.05 -3.62 0.80 0.00 0.03 0.00 0.00 46.19 43.45 2cvl s LEU 122 CO 0.03 0.10 1.79 0.00 0.23 0.00 0.00 176.35 178.49 2cvl h ALA 123 N 4.06 1.05 -0.00 4.21 0.00 -1.27 -3.44 119.26 123.88 2cvl h ALA 123 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2cvl h ALA 123 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cvl h ALA 123 CO 0.68 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.72