#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4f s VAL 7 N 0.00 1.41 0.33 12.58 -7.23 -1.26 -5.13 120.40 121.10 2c4f s VAL 7 Ca 0.00 -0.74 -0.27 0.00 -1.81 0.00 0.00 61.98 59.16 2c4f s VAL 7 Cb 0.00 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 2c4f s VAL 7 CO 0.00 0.40 1.11 0.00 -0.31 0.00 0.00 175.10 176.30 2c4f s ALA 8 N -0.22 3.29 0.79 1.32 0.00 -1.26 -4.82 121.76 120.87 2c4f s ALA 8 Ca 0.02 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 2c4f s ALA 8 Cb -0.09 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.77 2c4f s ALA 8 CO 0.01 -0.26 1.14 0.00 0.00 0.00 0.00 175.76 176.65 2c4f s ALA 9 N -1.32 2.00 0.21 0.00 0.00 -1.26 -4.74 121.76 116.65 2c4f s ALA 9 Ca 0.50 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 2c4f s ALA 9 Cb -0.30 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2c4f s ALA 9 CO 0.38 -2.04 0.34 1.52 0.00 0.00 0.00 175.76 175.95 2c4f s TYR 10 N -2.50 0.58 -1.44 0.00 -0.85 0.59 -4.92 117.35 108.80 2c4f s TYR 10 Ca 0.67 -0.90 -0.11 0.00 -0.52 0.00 0.00 57.07 56.21 2c4f s TYR 10 Cb -0.23 -0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.09 2c4f s TYR 10 CO 0.52 -0.83 1.06 0.09 -1.52 0.00 0.00 175.55 174.87 2c4f n ASN 11 N -0.31 -5.22 -4.68 -0.18 3.02 -1.26 -1.34 115.26 105.28 2c4f n ASN 11 Ca -0.02 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.43 2c4f n ASN 11 Cb 0.63 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 2c4f n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2c4f s LEU 12 N -7.24 4.38 -0.01 3.41 1.02 -1.26 -4.45 118.68 114.53 2c4f s LEU 12 Ca 0.58 2.54 0.04 0.00 0.02 0.00 0.00 54.13 57.31 2c4f s LEU 12 Cb -0.28 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.37 2c4f s LEU 12 CO 0.78 -0.94 -0.12 -0.89 0.02 0.00 0.00 176.35 175.20 2c4f s THR 13 N 3.10 0.97 -0.21 5.49 2.01 0.18 -4.97 115.64 122.20 2c4f s THR 13 Ca 0.77 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.09 2c4f s THR 13 Cb -0.41 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2c4f s THR 13 CO 0.34 0.27 0.41 0.26 -0.69 0.00 0.00 174.62 175.22 2c4f s TRP 14 N -0.27 3.35 -0.31 4.92 0.52 -1.26 -0.76 118.94 125.14 2c4f s TRP 14 Ca 0.04 0.60 -0.03 0.00 0.02 0.00 0.00 56.10 56.73 2c4f s TRP 14 Cb -0.05 -2.55 0.05 0.00 -1.15 0.00 0.00 33.47 29.77 2c4f s TRP 14 CO -0.00 -0.06 0.03 0.15 0.02 0.00 0.00 176.95 177.09 2c4f s LYS 15 N 1.48 2.47 -0.05 4.98 -0.14 0.08 -5.00 119.74 123.57 2c4f s LYS 15 Ca 0.19 -1.25 -0.02 0.00 -1.36 0.00 0.00 55.97 53.53 2c4f s LYS 15 Cb -0.15 -3.26 0.04 0.00 -1.68 0.00 0.00 37.83 32.77 2c4f s LYS 15 CO 0.08 -0.64 0.11 0.45 -0.76 0.00 0.00 175.35 174.59 2c4f s SER 16 N 1.31 0.07 -0.04 2.83 0.15 -1.26 -0.29 113.70 116.47 2c4f s SER 16 Ca -0.04 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 2c4f s SER 16 Cb -0.20 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.24 2c4f s SER 16 CO -0.00 -0.15 0.07 -0.89 1.20 0.00 0.00 173.24 173.47 2c4f s THR 17 N 1.27 -0.10 -1.52 6.45 2.01 -0.83 -4.84 115.64 118.09 2c4f s THR 17 Ca -0.08 0.29 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 2c4f s THR 17 Cb -0.12 -0.15 0.10 0.00 0.01 0.00 0.00 72.50 72.34 2c4f s THR 17 CO -0.05 0.12 0.78 0.59 -0.69 0.00 0.00 174.62 175.37 2c4f n ASN 18 N 4.65 -4.12 0.00 3.53 4.13 -1.26 -1.24 115.26 120.95 2c4f n ASN 18 Ca -0.18 -0.73 0.00 0.00 1.68 0.00 0.00 54.58 55.35 2c4f n ASN 18 Cb 0.50 -3.34 0.00 0.00 -1.54 0.00 0.00 39.78 35.40 2c4f n ASN 18 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2c4f n PHE 19 N -4.39 0.00 -2.30 3.10 3.72 -1.26 -4.96 117.46 111.37 2c4f n PHE 19 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 2c4f n PHE 19 Cb 0.52 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 2c4f n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2c4f s LYS 20 N -0.20 3.93 -0.18 -1.08 2.47 -0.37 -4.73 119.74 119.59 2c4f s LYS 20 Ca 0.00 1.48 0.01 0.00 -1.56 0.00 0.00 55.97 55.90 2c4f s LYS 20 Cb 0.00 -3.92 0.03 0.00 -1.46 0.00 0.00 37.83 32.48 2c4f s LYS 20 CO 0.00 -1.11 -0.15 0.99 0.16 0.00 0.00 175.35 175.24 2c4f s THR 21 N 4.52 1.79 -0.10 3.43 2.01 -1.26 -1.96 115.64 124.07 2c4f s THR 21 Ca 0.62 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.78 2c4f s THR 21 Cb -0.21 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.60 2c4f s THR 21 CO 0.24 0.40 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.71 2c4f s ILE 22 N 1.38 2.02 -0.07 1.82 -1.09 0.61 -0.58 121.20 125.28 2c4f s ILE 22 Ca 0.03 -0.99 -0.16 0.00 -2.23 0.00 0.00 60.65 57.29 2c4f s ILE 22 Cb -0.14 -1.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 2c4f s ILE 22 CO -0.11 0.55 0.43 -0.22 -1.23 0.00 0.00 174.94 174.36 2c4f s LEU 23 N 0.40 4.35 0.16 2.97 2.96 -0.19 -0.74 118.68 128.58 2c4f s LEU 23 Ca -0.18 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 54.67 2c4f s LEU 23 Cb -0.18 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2c4f s LEU 23 CO 0.08 0.14 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.43 2c4f s GLU 24 N -0.07 1.33 0.38 1.98 2.02 0.07 -0.71 118.70 123.70 2c4f s GLU 24 Ca 0.24 -1.40 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 2c4f s GLU 24 Cb -0.16 -1.53 0.05 0.00 0.10 0.00 0.00 34.13 32.60 2c4f s GLU 24 CO 0.11 0.33 0.79 1.67 0.02 0.00 0.00 175.26 178.18 2c4f s TRP 25 N -1.74 0.10 0.19 1.61 -2.14 -0.63 -0.65 118.94 115.69 2c4f s TRP 25 Ca 0.16 -0.77 0.05 0.00 2.66 0.00 0.00 56.10 58.20 2c4f s TRP 25 Cb -0.07 0.83 -0.05 0.00 -3.10 0.00 0.00 33.47 31.08 2c4f s TRP 25 CO 0.07 -1.55 -0.08 -1.21 -2.66 0.00 0.00 176.95 171.52 2c4f s GLU 26 N -2.38 1.24 0.41 3.25 2.02 -0.45 -4.78 118.70 118.01 2c4f s GLU 26 Ca 0.15 -1.57 0.08 0.00 0.02 0.00 0.00 54.97 53.65 2c4f s GLU 26 Cb -0.05 -0.76 -0.00 0.00 0.10 0.00 0.00 34.13 33.41 2c4f s GLU 26 CO 0.11 0.04 0.48 -1.25 0.02 0.00 0.00 175.26 174.66 2c4f s PRO 27 N -3.76 2.72 0.34 0.39 0.04 -1.26 -0.30 135.00 133.17 2c4f s PRO 27 Ca 0.22 -1.35 -0.29 0.00 0.04 0.00 0.00 61.00 59.63 2c4f s PRO 27 Cb 0.03 -2.61 -0.11 0.00 0.04 0.00 0.00 34.50 31.85 2c4f s PRO 27 CO 0.05 -0.21 1.53 1.63 0.04 0.00 0.00 177.00 180.04 2c4f n LYS 28 N -1.71 2.67 -2.57 4.56 5.02 -1.26 -4.90 118.16 119.96 2c4f n LYS 28 Ca 0.06 0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 56.91 2c4f n LYS 28 Cb 0.60 -2.69 -0.05 0.00 -0.02 0.00 0.00 35.03 32.87 2c4f n LYS 28 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2c4f s PRO 29 N -1.35 4.39 -0.25 1.97 0.04 -1.26 -5.05 135.00 133.49 2c4f s PRO 29 Ca 0.58 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2c4f s PRO 29 Cb -0.49 -2.79 0.08 0.00 0.04 0.00 0.00 34.50 31.34 2c4f s PRO 29 CO 0.57 0.05 0.03 0.08 0.04 0.00 0.00 177.00 177.77 2c4f s VAL 30 N -1.49 1.03 -1.42 -0.36 1.01 -1.26 -4.78 120.40 113.12 2c4f s VAL 30 Ca 0.52 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2c4f s VAL 30 Cb -0.24 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2c4f s VAL 30 CO 0.31 -0.37 0.39 0.59 0.00 0.00 0.00 175.10 176.02 2c4f n ASN 31 N 4.83 -5.50 -3.52 3.32 5.03 -1.26 -4.99 115.26 113.16 2c4f n ASN 31 Ca -0.07 -0.19 -0.12 0.00 0.87 0.00 0.00 54.58 55.08 2c4f n ASN 31 Cb 0.44 -4.40 -0.04 0.00 -1.02 0.00 0.00 39.78 34.76 2c4f n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2c4f s GLN 32 N -5.37 1.15 0.26 3.52 -2.07 -1.26 -1.56 119.66 114.33 2c4f s GLN 32 Ca 0.19 -0.46 0.04 0.00 -1.82 0.00 0.00 55.36 53.30 2c4f s GLN 32 Cb -0.08 0.52 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 2c4f s GLN 32 CO 0.24 -0.47 0.02 0.14 -1.32 0.00 0.00 175.29 173.90 2c4f s VAL 33 N -3.39 1.07 0.19 3.63 -7.23 0.13 -4.77 120.40 110.03 2c4f s VAL 33 Ca -0.00 -2.03 0.10 0.00 -1.81 0.00 0.00 61.98 58.24 2c4f s VAL 33 Cb -0.00 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2c4f s VAL 33 CO -0.09 -0.20 -0.20 -0.31 -0.31 0.00 0.00 175.10 173.98 2c4f s TYR 34 N -3.39 2.05 -0.03 2.82 2.02 0.37 -0.65 117.35 120.54 2c4f s TYR 34 Ca 0.32 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 2c4f s TYR 34 Cb 0.07 -1.00 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 2c4f s TYR 34 CO 0.11 0.44 0.06 0.99 -1.57 0.00 0.00 175.55 175.59 2c4f s THR 35 N -1.99 -0.02 0.05 -0.71 2.01 -1.01 -0.24 115.64 113.74 2c4f s THR 35 Ca 0.20 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.29 2c4f s THR 35 Cb -0.06 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 2c4f s THR 35 CO 0.09 0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.35 2c4f s VAL 36 N 0.34 4.03 0.06 3.82 1.01 -0.57 -0.57 120.40 128.51 2c4f s VAL 36 Ca -0.03 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.16 2c4f s VAL 36 Cb -0.04 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2c4f s VAL 36 CO -0.01 0.22 -0.15 -1.10 0.00 0.00 0.00 175.10 174.06 2c4f s GLN 37 N -2.00 0.94 0.02 2.72 -0.21 -0.35 -0.36 119.66 120.41 2c4f s GLN 37 Ca 0.23 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2c4f s GLN 37 Cb -0.12 -0.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.90 2c4f s GLN 37 CO 0.15 0.23 -0.03 -1.50 -2.12 0.00 0.00 175.29 172.02 2c4f s ILE 38 N -1.03 0.11 0.25 1.08 2.07 -0.25 -1.08 121.20 122.34 2c4f s ILE 38 Ca 0.01 -0.78 -0.22 0.00 -1.41 0.00 0.00 60.65 58.25 2c4f s ILE 38 Cb -0.09 -0.23 0.03 0.00 0.13 0.00 0.00 42.46 42.30 2c4f s ILE 38 CO 0.02 -0.42 0.72 -0.94 -1.91 0.00 0.00 174.94 172.40 2c4f s SER 39 N -1.25 -0.31 0.31 4.50 1.04 -0.67 -0.86 113.70 116.46 2c4f s SER 39 Ca -0.13 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 55.87 2c4f s SER 39 Cb -0.09 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2c4f s SER 39 CO -0.01 -1.25 0.43 0.42 0.98 0.00 0.00 173.24 173.81 2c4f s THR 40 N -3.84 4.40 0.37 2.02 -4.23 -1.26 -1.21 115.64 111.89 2c4f s THR 40 Ca 0.09 -1.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.77 2c4f s THR 40 Cb -0.05 -3.53 0.38 0.00 1.34 0.00 0.00 72.50 70.64 2c4f s THR 40 CO 0.03 -0.21 1.69 0.11 -0.54 0.00 0.00 174.62 175.71 2c4f h LYS 41 N 0.99 0.32 -0.07 3.99 1.57 -1.97 -2.08 116.57 119.32 2c4f h LYS 41 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2c4f h LYS 41 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2c4f h LYS 41 CO 0.55 0.21 0.00 -1.13 -0.57 0.00 0.00 179.45 178.51 2c4f n SER 42 N -4.84 1.84 -4.96 0.86 3.41 -1.26 -5.04 113.62 103.62 2c4f n SER 42 Ca 0.31 -1.52 -0.20 0.00 -0.26 0.00 0.00 58.87 57.19 2c4f n SER 42 Cb 1.02 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.96 2c4f n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2c4f s GLY 43 N -0.66 1.85 0.69 5.00 0.00 -0.78 -5.09 107.32 108.32 2c4f s GLY 43 Ca 0.08 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 2c4f s GLY 43 CO 0.07 -1.19 1.06 0.99 0.00 0.00 0.00 173.10 174.03 2c4f s ASP 44 N -4.45 5.43 -0.06 1.64 1.01 -1.26 -4.49 116.67 114.49 2c4f s ASP 44 Ca 0.58 1.60 -0.25 0.00 0.71 0.00 0.00 52.55 55.19 2c4f s ASP 44 Cb -0.10 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2c4f s ASP 44 CO 0.38 -1.41 0.78 0.26 0.21 0.00 0.00 175.17 175.39 2c4f s TRP 45 N -3.05 3.58 -0.11 4.23 0.52 -1.26 -4.57 118.94 118.26 2c4f s TRP 45 Ca 0.58 1.35 -0.02 0.00 0.02 0.00 0.00 56.10 58.03 2c4f s TRP 45 Cb -0.14 -2.90 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 2c4f s TRP 45 CO 0.55 0.03 -0.04 0.21 0.02 0.00 0.00 176.95 177.72 2c4f s LYS 46 N 1.00 3.25 0.18 4.98 2.20 -0.04 -4.91 119.74 126.41 2c4f s LYS 46 Ca 0.41 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.39 2c4f s LYS 46 Cb -0.18 -2.79 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 2c4f s LYS 46 CO 0.20 0.46 0.54 -1.12 -0.36 0.00 0.00 175.35 175.07 2c4f s SER 47 N -0.24 6.71 0.12 1.43 0.01 -1.26 -1.10 113.70 119.37 2c4f s SER 47 Ca 0.04 0.98 -0.09 0.00 1.31 0.00 0.00 55.95 58.19 2c4f s SER 47 Cb -0.13 -2.25 -0.00 0.00 0.21 0.00 0.00 66.02 63.85 2c4f s SER 47 CO 0.02 0.02 0.24 -0.54 0.41 0.00 0.00 173.24 173.40 2c4f s LYS 48 N -2.38 0.98 -1.29 12.44 -0.14 0.51 -4.95 119.74 124.92 2c4f s LYS 48 Ca 0.42 -1.02 -0.06 0.00 -1.36 0.00 0.00 55.97 53.95 2c4f s LYS 48 Cb -0.13 0.37 -0.00 0.00 -1.68 0.00 0.00 37.83 36.38 2c4f s LYS 48 CO 0.20 -0.34 0.62 0.00 -0.76 0.00 0.00 175.35 175.08 2c4f n PHE 50 N -4.27 2.39 -4.13 0.00 3.72 -1.26 -2.99 117.46 110.92 2c4f n PHE 50 Ca -0.24 -0.03 -0.33 0.00 -0.05 0.00 0.00 57.45 56.80 2c4f n PHE 50 Cb 0.66 -2.67 -0.03 0.00 -0.94 0.00 0.00 39.48 36.50 2c4f n PHE 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2c4f n TYR 51 N 6.05 -1.72 -2.44 1.38 4.01 -0.32 -4.95 117.16 119.17 2c4f n TYR 51 Ca 0.21 0.78 -0.30 0.00 -0.16 0.00 0.00 57.90 58.42 2c4f n TYR 51 Cb 0.32 -3.23 -0.02 0.00 -0.31 0.00 0.00 39.34 36.11 2c4f n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2c4f s THR 52 N -3.53 4.73 -1.77 -0.72 -1.32 0.67 -4.59 115.64 109.11 2c4f s THR 52 Ca 0.49 0.75 0.15 0.00 -1.21 0.00 0.00 61.69 61.87 2c4f s THR 52 Cb -0.27 -3.79 0.16 0.00 -1.51 0.00 0.00 72.50 67.09 2c4f s THR 52 CO 0.91 -0.80 1.02 0.35 -2.21 0.00 0.00 174.62 173.90 2c4f n THR 53 N -1.95 0.14 -1.27 5.08 -2.24 -1.26 -0.48 114.28 112.31 2c4f n THR 53 Ca 0.04 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 2c4f n THR 53 Cb 0.54 1.19 0.13 0.00 -2.10 0.00 0.00 70.33 70.09 2c4f n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c4f s ASP 54 N -1.20 3.71 -0.28 3.42 1.01 -1.26 -4.47 116.67 117.59 2c4f s ASP 54 Ca 0.19 1.48 0.08 0.00 0.71 0.00 0.00 52.55 55.01 2c4f s ASP 54 Cb 0.13 -2.17 0.46 0.00 1.01 0.00 0.00 42.92 42.35 2c4f s ASP 54 CO 0.19 -2.49 1.31 0.35 0.21 0.00 0.00 175.17 174.75 2c4f n THR 55 N -3.78 2.48 -3.68 -1.27 -2.24 -1.26 -4.87 114.28 99.64 2c4f n THR 55 Ca 0.07 -3.44 -0.11 0.00 -2.27 0.00 0.00 64.05 58.30 2c4f n THR 55 Cb 0.55 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 2c4f n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2c4f s GLU 56 N -3.40 0.98 -0.19 -0.78 -1.05 -1.26 -1.61 118.70 111.40 2c4f s GLU 56 Ca 0.45 -0.66 -0.06 0.00 -0.15 0.00 0.00 54.97 54.55 2c4f s GLU 56 Cb 0.40 0.43 0.09 0.00 -0.44 0.00 0.00 34.13 34.61 2c4f s GLU 56 CO -0.02 -0.36 0.38 0.00 0.95 0.00 0.00 175.26 176.21 2c4f s ASP 58 N 2.57 6.91 -0.03 0.00 2.15 -1.26 -1.03 116.67 125.98 2c4f s ASP 58 Ca 0.00 1.86 0.07 0.00 0.43 0.00 0.00 52.55 54.91 2c4f s ASP 58 Cb -0.12 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.12 2c4f s ASP 58 CO -0.12 -0.74 1.13 0.18 -0.17 0.00 0.00 175.17 175.45 2c4f n LEU 59 N 6.21 2.49 -0.15 -1.34 4.77 0.26 -4.78 117.00 124.45 2c4f n LEU 59 Ca 0.14 -2.18 -0.05 0.00 -0.03 0.00 0.00 56.01 53.89 2c4f n LEU 59 Cb 0.45 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2c4f n LEU 59 CO 0.57 0.61 0.67 0.74 -1.33 0.00 0.00 177.39 178.66 2c4f h THR 60 N 0.83 0.28 -0.18 -5.08 2.02 -1.78 -1.07 112.91 107.94 2c4f h THR 60 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2c4f h THR 60 Cb 0.70 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2c4f h THR 60 CO 0.02 0.00 0.15 0.44 0.37 0.00 0.00 175.52 176.49 2c4f h ASP 61 N -0.16 0.00 0.09 4.18 5.19 -1.91 -1.49 116.42 122.32 2c4f h ASP 61 Ca 0.22 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.45 2c4f h ASP 61 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2c4f h ASP 61 CO -0.58 0.00 -0.85 -0.33 -3.12 0.00 0.00 179.24 174.36 2c4f h GLU 62 N 0.00 0.18 0.00 3.56 4.39 -1.59 -3.37 114.58 117.75 2c4f h GLU 62 Ca 0.08 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 2c4f h GLU 62 Cb 0.38 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2c4f h GLU 62 CO -0.00 1.15 -0.31 -0.84 -1.16 0.00 0.00 179.01 177.85 2c4f h ILE 63 N -0.56 0.74 0.00 3.13 -0.00 -1.06 -2.94 117.51 116.82 2c4f h ILE 63 Ca -0.18 -1.37 0.00 0.00 -0.00 0.00 0.00 64.86 63.31 2c4f h ILE 63 Cb 1.50 1.87 0.00 0.00 -0.00 0.00 0.00 36.82 40.19 2c4f h ILE 63 CO 0.05 0.31 0.00 1.33 -0.00 0.00 0.00 178.15 179.84 2c4f n VAL 64 N -3.47 0.52 0.24 0.16 0.24 -0.59 -2.56 118.33 112.88 2c4f n VAL 64 Ca 0.00 0.13 0.08 0.00 -2.04 0.00 0.00 64.34 62.51 2c4f n VAL 64 Cb 0.48 -0.78 0.61 0.00 -1.47 0.00 0.00 33.84 32.68 2c4f n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2c4f h LYS 65 N 0.00 0.00 -0.70 7.34 1.57 -1.68 -3.38 116.57 119.72 2c4f h LYS 65 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2c4f h LYS 65 Cb 0.30 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.42 2c4f h LYS 65 CO 0.00 0.13 -0.29 0.34 -0.57 0.00 0.00 179.45 179.06 2c4f s ASP 66 N -6.73 -1.10 0.30 0.86 -1.08 -1.06 -5.04 116.67 102.82 2c4f s ASP 66 Ca -0.04 -0.33 0.23 0.00 -0.52 0.00 0.00 52.55 51.89 2c4f s ASP 66 Cb 0.15 1.49 1.09 0.00 -1.46 0.00 0.00 42.92 44.19 2c4f s ASP 66 CO 0.65 -0.15 1.69 1.33 0.52 0.00 0.00 175.17 179.22 2c4f n VAL 67 N 4.50 0.93 1.25 1.11 0.24 -1.14 -2.24 118.33 122.98 2c4f n VAL 67 Ca 0.08 0.49 0.13 0.00 -2.04 0.00 0.00 64.34 63.00 2c4f n VAL 67 Cb 0.58 -1.46 0.34 0.00 -1.47 0.00 0.00 33.84 31.83 2c4f n VAL 67 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2c4f n LYS 68 N -2.26 1.11 -1.80 7.34 5.02 -1.26 -4.91 118.16 121.40 2c4f n LYS 68 Ca 0.00 -0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 55.27 2c4f n LYS 68 Cb 0.13 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2c4f n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2c4f s GLN 69 N -2.38 3.15 -0.23 1.97 -1.52 -0.95 -5.05 119.66 114.66 2c4f s GLN 69 Ca 0.26 0.69 -0.07 0.00 -1.95 0.00 0.00 55.36 54.29 2c4f s GLN 69 Cb 0.19 -2.04 -0.03 0.00 -0.22 0.00 0.00 33.01 30.92 2c4f s GLN 69 CO 0.48 -0.88 0.06 0.99 -0.25 0.00 0.00 175.29 175.69 2c4f s THR 70 N -3.21 4.33 0.09 -0.19 2.01 -1.26 -5.09 115.64 112.32 2c4f s THR 70 Ca 0.57 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.44 2c4f s THR 70 Cb -0.12 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2c4f s THR 70 CO 0.54 0.38 0.02 -0.31 -0.69 0.00 0.00 174.62 174.55 2c4f s TYR 71 N 1.28 3.02 -0.04 4.92 1.51 -1.26 -3.75 117.35 123.03 2c4f s TYR 71 Ca 0.05 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 2c4f s TYR 71 Cb -0.15 -1.55 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2c4f s TYR 71 CO 0.03 0.49 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.65 2c4f s LEU 72 N -2.37 1.85 0.23 -1.29 1.98 -0.35 -4.99 118.68 113.75 2c4f s LEU 72 Ca 0.27 -0.29 0.10 0.00 -2.89 0.00 0.00 54.13 51.31 2c4f s LEU 72 Cb -0.12 -0.81 -0.05 0.00 0.66 0.00 0.00 46.19 45.88 2c4f s LEU 72 CO 0.19 0.11 -0.18 0.00 -1.89 0.00 0.00 176.35 174.59 2c4f s ALA 73 N 0.13 2.33 -0.03 5.97 0.00 -1.26 -1.66 121.76 127.24 2c4f s ALA 73 Ca -0.04 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.13 2c4f s ALA 73 Cb -0.11 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2c4f s ALA 73 CO 0.02 0.20 0.16 -0.98 0.00 0.00 0.00 175.76 175.16 2c4f s ARG 74 N -3.40 0.39 -0.21 0.00 1.70 -0.24 -4.98 118.95 112.20 2c4f s ARG 74 Ca 0.24 -0.14 -0.03 0.00 -0.47 0.00 0.00 55.73 55.33 2c4f s ARG 74 Cb -0.04 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.51 2c4f s ARG 74 CO 0.10 -0.08 -0.06 0.08 -1.08 0.00 0.00 175.30 174.26 2c4f s VAL 75 N -0.82 3.30 0.08 4.99 1.01 -1.26 -1.21 120.40 126.49 2c4f s VAL 75 Ca -0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2c4f s VAL 75 Cb -0.05 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 2c4f s VAL 75 CO 0.01 0.44 0.39 -0.36 0.00 0.00 0.00 175.10 175.58 2c4f s PHE 76 N 1.36 3.58 -0.15 5.22 0.08 0.26 -4.67 117.98 123.65 2c4f s PHE 76 Ca 0.04 0.76 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 2c4f s PHE 76 Cb -0.14 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2c4f s PHE 76 CO -0.03 0.52 -0.09 -1.12 -0.10 0.00 0.00 175.22 174.40 2c4f s SER 77 N -1.79 4.34 -0.05 1.36 0.01 -1.26 -2.41 113.70 113.90 2c4f s SER 77 Ca 0.33 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.39 2c4f s SER 77 Cb -0.14 -1.69 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 2c4f s SER 77 CO 0.18 0.15 -0.21 -0.31 0.41 0.00 0.00 173.24 173.47 2c4f s TYR 78 N 0.45 2.03 0.32 2.43 2.02 0.17 -4.97 117.35 119.80 2c4f s TYR 78 Ca -0.07 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.76 2c4f s TYR 78 Cb -0.15 -1.34 -0.10 0.00 -0.40 0.00 0.00 41.96 39.96 2c4f s TYR 78 CO 0.04 -0.18 1.26 -1.25 -1.57 0.00 0.00 175.55 173.85 2c4f s PRO 79 N -0.08 4.41 0.00 -1.71 0.04 -1.26 -0.69 135.00 135.70 2c4f s PRO 79 Ca -0.03 2.13 0.27 0.00 0.04 0.00 0.00 61.00 63.41 2c4f s PRO 79 Cb -0.12 -3.09 0.85 0.00 0.04 0.00 0.00 34.50 32.17 2c4f s PRO 79 CO 0.03 -0.11 1.63 0.00 0.04 0.00 0.00 177.00 178.59