#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1efi n PRO 2 N 0.00 0.63 -0.05 0.00 -0.02 -1.26 -4.93 135.00 129.37 1efi n PRO 2 Ca 0.00 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.78 1efi n PRO 2 Cb 0.00 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 30.96 1efi n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1efi n GLN 3 N -2.14 0.73 -4.23 -0.52 1.13 -1.26 -4.96 117.38 106.14 1efi n GLN 3 Ca 0.14 -0.11 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 1efi n GLN 3 Cb 0.49 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 1efi n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1efi s THR 4 N -3.02 0.06 0.32 5.09 -4.23 -1.26 -5.04 115.64 107.56 1efi s THR 4 Ca -0.08 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.50 1efi s THR 4 Cb 0.10 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.49 1efi s THR 4 CO 0.83 0.00 1.75 -0.29 -0.54 0.00 0.00 174.62 176.37 1efi h ILE 5 N 2.52 1.28 -0.26 2.99 2.10 -1.95 -1.75 117.51 122.44 1efi h ILE 5 Ca -0.35 -1.35 -0.03 0.00 1.08 0.00 0.00 64.86 64.21 1efi h ILE 5 Cb 1.25 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 38.55 1efi h ILE 5 CO 0.52 0.40 0.04 0.74 -1.08 0.00 0.00 178.15 178.77 1efi h THR 6 N 0.19 1.23 -0.43 2.19 2.02 -1.99 0.22 112.91 116.34 1efi h THR 6 Ca 0.02 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1efi h THR 6 Cb 0.71 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1efi h THR 6 CO 0.05 0.25 0.25 -0.33 0.37 0.00 0.00 175.52 176.11 1efi h GLU 7 N 0.25 0.59 -0.11 6.66 5.08 -1.91 -2.08 114.58 123.06 1efi h GLU 7 Ca 0.08 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1efi h GLU 7 Cb 0.33 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1efi h GLU 7 CO 0.00 0.46 0.05 1.25 -1.00 0.00 0.00 179.01 179.77 1efi h LEU 8 N 0.57 0.07 -1.63 1.33 6.46 -1.04 -2.58 115.31 118.50 1efi h LEU 8 Ca 0.15 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1efi h LEU 8 Cb 0.03 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1efi h LEU 8 CO -0.03 0.06 0.31 0.00 -0.62 0.00 0.00 178.44 178.16 1efi n SER 10 N -4.48 0.65 0.09 0.00 3.41 -0.80 -2.51 113.62 109.98 1efi n SER 10 Ca 0.05 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1efi n SER 10 Cb 0.17 -0.80 0.45 0.00 -0.26 0.00 0.00 64.21 63.77 1efi n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1efi n GLU 11 N -2.23 0.20 -4.17 4.33 1.02 -1.01 -4.87 120.64 113.92 1efi n GLU 11 Ca 0.02 0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 57.10 1efi n GLU 11 Cb 0.22 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.82 1efi n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1efi s TYR 12 N -3.10 2.94 0.42 -0.32 1.51 -1.05 -5.12 117.35 112.62 1efi s TYR 12 Ca 0.10 -0.10 -0.09 0.00 -1.01 0.00 0.00 57.07 55.97 1efi s TYR 12 Cb 0.13 -1.42 -0.06 0.00 -0.11 0.00 0.00 41.96 40.51 1efi s TYR 12 CO 0.56 0.52 0.77 0.50 -1.11 0.00 0.00 175.55 176.79 1efi s ARG 13 N -3.02 3.73 -1.49 -0.62 3.52 -1.26 -4.25 118.95 115.56 1efi s ARG 13 Ca 0.29 0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 56.24 1efi s ARG 13 Cb -0.09 -2.39 0.02 0.00 -1.56 0.00 0.00 34.95 30.93 1efi s ARG 13 CO 0.20 -0.06 0.60 0.09 -0.81 0.00 0.00 175.30 175.32 1efi n ASN 14 N -1.45 -5.58 -4.43 -2.12 5.03 -1.26 -4.95 115.26 100.51 1efi n ASN 14 Ca 0.02 -0.32 -0.21 0.00 0.87 0.00 0.00 54.58 54.94 1efi n ASN 14 Cb 0.54 -4.52 -0.10 0.00 -1.02 0.00 0.00 39.78 34.68 1efi n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1efi s THR 15 N -3.13 1.68 -0.03 3.41 -4.23 -1.26 -0.52 115.64 111.56 1efi s THR 15 Ca 0.34 -2.14 -0.29 0.00 -1.18 0.00 0.00 61.69 58.42 1efi s THR 15 Cb -0.16 -2.42 0.09 0.00 1.34 0.00 0.00 72.50 71.35 1efi s THR 15 CO 0.42 -0.32 0.76 0.00 -0.54 0.00 0.00 174.62 174.94 1efi s GLN 16 N -3.72 0.97 -0.06 3.99 -2.07 -0.39 -4.87 119.66 113.51 1efi s GLN 16 Ca 0.29 0.01 -0.20 0.00 -1.82 0.00 0.00 55.36 53.64 1efi s GLN 16 Cb 0.03 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.36 1efi s GLN 16 CO 0.12 -0.35 0.55 0.42 -1.32 0.00 0.00 175.29 174.71 1efi s ILE 17 N -1.96 5.06 -0.19 3.63 -1.09 -1.26 -1.49 121.20 123.90 1efi s ILE 17 Ca -0.04 1.12 -0.03 0.00 -2.23 0.00 0.00 60.65 59.47 1efi s ILE 17 Cb -0.00 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1efi s ILE 17 CO 0.01 0.36 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.71 1efi s TYR 18 N 0.27 2.94 -0.39 3.97 1.51 0.09 -4.98 117.35 120.76 1efi s TYR 18 Ca 0.29 -0.77 -0.22 0.00 -1.01 0.00 0.00 57.07 55.36 1efi s TYR 18 Cb -0.17 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1efi s TYR 18 CO 0.14 -0.39 0.71 0.99 -1.11 0.00 0.00 175.55 175.89 1efi s THR 19 N 1.06 4.79 -0.15 -0.71 2.01 -1.26 -1.48 115.64 119.89 1efi s THR 19 Ca 0.01 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.48 1efi s THR 19 Cb -0.15 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1efi s THR 19 CO -0.00 -0.47 -0.17 -0.38 -0.69 0.00 0.00 174.62 172.91 1efi n ILE 20 N 5.79 1.43 -3.90 1.82 2.08 0.74 -5.00 119.36 122.32 1efi n ILE 20 Ca 0.01 0.19 -0.25 0.00 0.56 0.00 0.00 62.75 63.25 1efi n ILE 20 Cb 0.48 -2.36 -0.00 0.00 -0.75 0.00 0.00 39.64 37.01 1efi n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1efi n ASN 21 N -4.59 -1.06 -3.48 4.38 4.05 0.77 -4.94 115.26 110.39 1efi n ASN 21 Ca -0.10 -0.94 -0.12 0.00 0.45 0.00 0.00 54.58 53.87 1efi n ASN 21 Cb 0.32 -3.37 -0.03 0.00 1.23 0.00 0.00 39.78 37.93 1efi n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1efi s ASP 22 N -4.22 -0.49 0.65 1.20 2.15 -0.86 -4.91 116.67 110.19 1efi s ASP 22 Ca 0.10 0.18 -0.10 0.00 0.43 0.00 0.00 52.55 53.16 1efi s ASP 22 Cb -0.05 0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 43.04 1efi s ASP 22 CO 0.87 -0.71 1.04 -1.59 -0.17 0.00 0.00 175.17 174.60 1efi s LYS 23 N -2.76 3.16 0.24 4.34 -2.85 -1.26 -0.82 119.74 119.79 1efi s LYS 23 Ca -0.00 0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 1efi s LYS 23 Cb -0.01 -2.09 -0.09 0.00 -2.06 0.00 0.00 37.83 33.58 1efi s LYS 23 CO -0.06 -0.79 1.28 0.42 0.10 0.00 0.00 175.35 176.30 1efi s ILE 24 N -3.22 3.16 -0.14 3.79 1.01 -1.26 -4.78 121.20 119.75 1efi s ILE 24 Ca 0.56 1.02 -0.23 0.00 0.00 0.00 0.00 60.65 62.00 1efi s ILE 24 Cb -0.11 -3.65 -0.25 0.00 0.01 0.00 0.00 42.46 38.46 1efi s ILE 24 CO 0.51 0.18 0.58 0.25 0.00 0.00 0.00 174.94 176.47 1efi h LEU 25 N 4.73 0.15 -8.03 2.97 5.85 -0.88 -3.48 115.31 116.63 1efi h LEU 25 Ca -0.46 -0.82 -0.34 0.00 0.84 0.00 0.00 57.88 57.10 1efi h LEU 25 Cb 1.22 -0.05 -0.26 0.00 0.37 0.00 0.00 40.66 41.93 1efi h LEU 25 CO 0.73 1.34 -0.76 -0.44 -0.34 0.00 0.00 178.44 178.97 1efi s SER 26 N -6.69 0.85 -0.09 1.25 0.01 -1.11 -4.97 113.70 102.94 1efi s SER 26 Ca -0.21 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1efi s SER 26 Cb 0.02 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.20 1efi s SER 26 CO 0.70 0.01 -0.20 -0.47 0.41 0.00 0.00 173.24 173.70 1efi s TYR 27 N -0.49 2.19 -0.04 2.43 6.14 -1.26 -1.30 117.35 125.02 1efi s TYR 27 Ca -0.00 -0.91 0.03 0.00 0.64 0.00 0.00 57.07 56.82 1efi s TYR 27 Cb -0.05 -1.50 0.00 0.00 0.42 0.00 0.00 41.96 40.83 1efi s TYR 27 CO 0.00 -0.40 -0.12 0.99 0.64 0.00 0.00 175.55 176.66 1efi s THR 28 N 0.54 1.03 -0.06 4.34 2.01 0.37 -4.99 115.64 118.89 1efi s THR 28 Ca -0.15 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1efi s THR 28 Cb -0.17 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1efi s THR 28 CO 0.05 0.32 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.52 1efi s GLU 29 N 0.27 1.23 -0.04 4.92 2.12 -1.26 -0.20 118.70 125.74 1efi s GLU 29 Ca -0.06 -0.23 0.07 0.00 0.36 0.00 0.00 54.97 55.10 1efi s GLU 29 Cb -0.11 -1.14 -0.01 0.00 0.26 0.00 0.00 34.13 33.12 1efi s GLU 29 CO 0.02 -0.07 -0.24 0.45 -0.54 0.00 0.00 175.26 174.88 1efi s SER 30 N 0.94 2.91 -0.04 -1.70 0.15 -0.32 -4.99 113.70 110.66 1efi s SER 30 Ca -0.10 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.17 1efi s SER 30 Cb -0.15 -0.61 0.26 0.00 -1.71 0.00 0.00 66.02 63.81 1efi s SER 30 CO 0.01 0.26 1.20 1.15 1.20 0.00 0.00 173.24 177.06 1efi n MET 31 N 2.77 2.80 -2.38 5.44 0.00 -1.26 -2.47 117.12 122.03 1efi n MET 31 Ca -0.17 -2.06 -0.40 0.00 0.00 0.00 0.00 57.70 55.07 1efi n MET 31 Cb 0.52 -1.30 -0.04 0.00 0.00 0.00 0.00 33.22 32.40 1efi n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1efi s ALA 32 N -1.41 3.43 0.18 3.17 0.00 -1.26 -4.85 121.76 121.02 1efi s ALA 32 Ca 0.20 0.99 -0.33 0.00 0.00 0.00 0.00 51.96 52.83 1efi s ALA 32 Cb 0.13 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.73 1efi s ALA 32 CO 0.10 -0.29 1.16 0.41 0.00 0.00 0.00 175.76 177.13 1efi n GLY 33 N 1.17 0.04 3.58 0.00 0.00 -1.26 -0.54 105.19 108.19 1efi n GLY 33 Ca -0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1efi n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1efi n LYS 34 N 1.73 -0.05 -2.02 1.61 4.01 -1.26 -4.77 118.16 117.41 1efi n LYS 34 Ca 0.15 0.01 -0.03 0.00 -0.51 0.00 0.00 58.31 57.93 1efi n LYS 34 Cb 0.25 -3.76 0.06 0.00 -0.51 0.00 0.00 35.03 31.06 1efi n LYS 34 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1efi n ARG 35 N -1.94 1.70 -2.37 1.97 5.12 0.30 -4.96 116.66 116.49 1efi n ARG 35 Ca 0.00 -3.26 -0.36 0.00 -1.93 0.00 0.00 57.85 52.31 1efi n ARG 35 Cb 0.01 -1.36 -0.04 0.00 -1.16 0.00 0.00 32.46 29.91 1efi n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1efi s GLU 36 N -2.75 3.20 0.31 5.56 8.01 -1.10 -4.34 118.70 127.59 1efi s GLU 36 Ca 0.36 -0.80 -0.13 0.00 0.01 0.00 0.00 54.97 54.41 1efi s GLU 36 Cb 0.36 -5.23 0.02 0.00 -4.31 0.00 0.00 34.13 24.97 1efi s GLU 36 CO -0.06 -2.64 0.62 0.00 0.01 0.00 0.00 175.26 173.19 1efi s MET 37 N 5.74 1.88 -0.03 1.61 0.23 -1.03 -4.28 119.30 123.42 1efi s MET 37 Ca 0.55 -1.35 0.04 0.00 -1.03 0.00 0.00 55.69 53.90 1efi s MET 37 Cb -0.03 0.54 -0.00 0.00 -1.53 0.00 0.00 34.83 33.81 1efi s MET 37 CO -0.06 -0.83 -0.15 0.08 -2.03 0.00 0.00 175.02 172.03 1efi s VAL 38 N -3.31 1.23 -0.10 5.16 1.01 -1.24 -1.17 120.40 121.99 1efi s VAL 38 Ca 0.20 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1efi s VAL 38 Cb -0.03 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1efi s VAL 38 CO 0.12 0.36 -0.20 -0.63 0.00 0.00 0.00 175.10 174.75 1efi s ILE 39 N -0.04 1.75 0.10 2.22 1.01 0.73 -1.87 121.20 125.10 1efi s ILE 39 Ca -0.01 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 59.92 1efi s ILE 39 Cb -0.09 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1efi s ILE 39 CO 0.01 0.49 -0.27 0.27 0.00 0.00 0.00 174.94 175.44 1efi s ILE 40 N 0.55 2.20 0.14 2.92 -4.36 -0.36 -0.48 121.20 121.82 1efi s ILE 40 Ca -0.15 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.65 1efi s ILE 40 Cb -0.17 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1efi s ILE 40 CO 0.05 0.17 -0.11 0.42 0.24 0.00 0.00 174.94 175.71 1efi s THR 41 N -0.98 1.20 0.16 8.37 -4.23 -0.42 -1.40 115.64 118.34 1efi s THR 41 Ca 0.13 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1efi s THR 41 Cb -0.10 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1efi s THR 41 CO 0.05 -0.67 -0.14 -0.36 -0.54 0.00 0.00 174.62 172.96 1efi s PHE 42 N -3.03 1.53 -0.30 3.99 0.08 -0.91 -0.14 117.98 119.20 1efi s PHE 42 Ca 0.15 -0.58 0.23 0.00 0.12 0.00 0.00 56.93 56.84 1efi s PHE 42 Cb 0.01 -0.76 1.11 0.00 -0.57 0.00 0.00 43.02 42.81 1efi s PHE 42 CO 0.01 0.23 1.71 0.36 -0.10 0.00 0.00 175.22 177.43 1efi n LYS 43 N 0.08 0.18 0.26 0.44 -0.00 -1.26 -0.85 118.16 116.99 1efi n LYS 43 Ca -0.12 0.54 0.13 0.00 -0.00 0.00 0.00 58.31 58.86 1efi n LYS 43 Cb 0.59 -1.94 0.66 0.00 -0.00 0.00 0.00 35.03 34.34 1efi n LYS 43 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1efi h SER 44 N 0.00 0.00 0.00 -5.58 4.64 -1.98 -3.46 113.55 107.17 1efi h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1efi h SER 44 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1efi h SER 44 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1efi n GLY 45 N -0.32 0.67 3.75 -0.77 0.00 -0.03 -5.09 105.19 103.39 1efi n GLY 45 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1efi n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1efi s GLU 46 N -0.61 4.58 -0.04 1.61 0.41 -1.25 -4.87 118.70 118.52 1efi s GLU 46 Ca 0.00 1.20 0.06 0.00 -0.41 0.00 0.00 54.97 55.82 1efi s GLU 46 Cb 0.00 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.99 1efi s GLU 46 CO 0.00 0.35 -0.23 0.99 -0.49 0.00 0.00 175.26 175.87 1efi s THR 47 N -0.35 2.24 0.08 3.63 2.01 -1.26 -2.15 115.64 119.83 1efi s THR 47 Ca 0.40 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1efi s THR 47 Cb -0.22 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1efi s THR 47 CO 0.26 0.58 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.32 1efi s PHE 48 N -0.40 0.90 0.13 4.92 0.08 -0.49 -3.83 117.98 119.29 1efi s PHE 48 Ca 0.04 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.46 1efi s PHE 48 Cb -0.12 -0.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 1efi s PHE 48 CO 0.01 -0.07 -0.13 1.14 -0.10 0.00 0.00 175.22 176.07 1efi s GLN 49 N -2.71 1.05 -0.32 0.44 -2.07 -0.16 -1.22 119.66 114.67 1efi s GLN 49 Ca 0.03 -1.30 -0.09 0.00 -1.82 0.00 0.00 55.36 52.17 1efi s GLN 49 Cb -0.03 -0.87 -0.00 0.00 -1.09 0.00 0.00 33.01 31.02 1efi s GLN 49 CO -0.01 0.16 0.15 0.08 -1.32 0.00 0.00 175.29 174.35 1efi s VAL 50 N -2.38 4.53 0.75 3.63 1.01 -0.78 -0.96 120.40 126.20 1efi s VAL 50 Ca 0.11 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 1efi s VAL 50 Cb -0.03 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 33.05 1efi s VAL 50 CO 0.03 0.03 1.23 -1.61 0.00 0.00 0.00 175.10 174.77 1efi s GLU 51 N 1.59 1.97 0.29 2.72 2.02 -1.26 -3.71 118.70 122.32 1efi s GLU 51 Ca 0.04 1.83 -0.29 0.00 0.02 0.00 0.00 54.97 56.57 1efi s GLU 51 Cb -0.17 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 1efi s GLU 51 CO 0.06 -1.98 1.34 0.08 0.02 0.00 0.00 175.26 174.78 1efi s VAL 52 N -1.93 2.79 0.25 2.63 1.01 -1.26 -4.90 120.40 118.99 1efi s VAL 52 Ca 0.76 0.74 -0.31 0.00 0.00 0.00 0.00 61.98 63.16 1efi s VAL 52 Cb -0.31 -3.47 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1efi s VAL 52 CO 0.47 0.15 1.58 -2.65 0.00 0.00 0.00 175.10 174.65 1efi n PRO 53 N 1.47 2.51 -4.26 2.72 -0.02 -1.26 -4.97 135.00 131.20 1efi n PRO 53 Ca 0.03 0.90 -0.20 0.00 -2.02 0.00 0.00 63.50 62.20 1efi n PRO 53 Cb 0.42 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.15 1efi n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1efi n GLY 54 N 2.65 2.94 0.08 -1.23 0.00 -1.26 -5.03 105.19 103.34 1efi n GLY 54 Ca 0.12 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.30 1efi n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1efi n SER 55 N -1.66 0.36 0.21 1.61 3.41 -1.26 -1.62 113.62 114.66 1efi n SER 55 Ca 0.06 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 1efi n SER 55 Cb 0.61 -0.68 0.34 0.00 -0.26 0.00 0.00 64.21 64.22 1efi n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1efi h GLN 56 N 0.00 0.00 -6.58 4.33 -0.00 -1.97 -3.44 115.11 107.44 1efi h GLN 56 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1efi h GLN 56 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.66 1efi h GLN 56 CO 0.00 0.20 0.25 -1.01 -0.00 0.00 0.00 178.83 178.27 1efi s HIS 57 N -3.42 3.91 0.53 0.06 3.76 -0.64 -5.07 115.29 114.42 1efi s HIS 57 Ca 0.03 1.73 -0.03 0.00 -0.15 0.00 0.00 55.06 56.64 1efi s HIS 57 Cb 0.08 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.92 1efi s HIS 57 CO 0.65 0.46 0.79 0.96 -0.85 0.00 0.00 174.74 176.75 1efi s ILE 58 N -0.99 3.69 0.32 0.60 -4.36 -1.26 -4.92 121.20 114.28 1efi s ILE 58 Ca 0.38 -0.28 0.04 0.00 -0.26 0.00 0.00 60.65 60.53 1efi s ILE 58 Cb -0.24 -3.41 0.29 0.00 1.25 0.00 0.00 42.46 40.35 1efi s ILE 58 CO 0.28 -0.35 1.90 0.44 0.24 0.00 0.00 174.94 177.45 1efi h ASP 59 N 0.09 0.81 0.43 4.36 3.32 -1.99 -1.15 116.42 122.28 1efi h ASP 59 Ca -0.45 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1efi h ASP 59 Cb 1.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1efi h ASP 59 CO 0.58 0.48 0.00 0.77 -1.72 0.00 0.00 179.24 179.36 1efi h SER 60 N 0.90 0.00 1.69 6.45 4.64 -2.04 -2.55 113.55 122.63 1efi h SER 60 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1efi h SER 60 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1efi h SER 60 CO -0.17 0.00 -0.20 1.56 -0.87 0.00 0.00 176.83 177.16 1efi h GLN 61 N 0.00 0.00 -0.14 4.77 4.20 -1.58 -3.37 115.11 118.99 1efi h GLN 61 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1efi h GLN 61 Cb 0.21 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1efi h GLN 61 CO 0.00 0.00 -0.24 0.87 -0.67 0.00 0.00 178.83 178.79 1efi h LYS 62 N 0.00 -0.29 -0.15 1.46 1.57 -1.54 0.23 116.57 117.86 1efi h LYS 62 Ca 0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1efi h LYS 62 Cb 0.94 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1efi h LYS 62 CO 0.00 -0.19 -0.34 0.87 -0.57 0.00 0.00 179.45 179.22 1efi h LYS 63 N -0.30 0.30 -0.65 3.15 1.57 -1.79 -2.89 116.57 115.96 1efi h LYS 63 Ca 0.10 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1efi h LYS 63 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1efi h LYS 63 CO -0.31 0.61 0.08 0.00 -0.57 0.00 0.00 179.45 179.25 1efi h ALA 64 N 1.39 0.87 -0.37 3.86 0.00 -1.54 -0.07 119.26 123.39 1efi h ALA 64 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1efi h ALA 64 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1efi h ALA 64 CO 0.06 0.65 0.24 0.82 0.00 0.00 0.00 179.25 181.02 1efi h ILE 65 N 1.01 1.10 -0.55 0.00 2.04 -0.44 0.00 117.51 120.66 1efi h ILE 65 Ca 0.19 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1efi h ILE 65 Cb 0.47 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1efi h ILE 65 CO 0.02 0.10 0.15 -0.33 0.00 0.00 0.00 178.15 178.08 1efi h GLU 66 N 0.50 0.84 -0.39 2.37 4.39 -1.25 -2.53 114.58 118.52 1efi h GLU 66 Ca 0.14 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1efi h GLU 66 Cb -0.05 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1efi h GLU 66 CO -0.03 0.75 0.09 -0.09 -1.16 0.00 0.00 179.01 178.57 1efi h ARG 67 N 0.81 0.62 -0.88 2.33 2.43 -0.52 -1.73 114.38 117.45 1efi h ARG 67 Ca 0.18 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1efi h ARG 67 Cb 0.27 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1efi h ARG 67 CO -0.00 0.65 0.56 1.98 -1.51 0.00 0.00 179.97 181.65 1efi h MET 68 N 0.48 1.03 -0.62 0.20 4.05 -0.73 0.97 114.93 120.31 1efi h MET 68 Ca 0.12 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 1efi h MET 68 Cb 0.31 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1efi h MET 68 CO 0.00 0.68 0.04 0.87 0.23 0.00 0.00 176.91 178.73 1efi h LYS 69 N 1.06 1.06 -0.28 0.39 1.57 -1.15 -0.53 116.57 118.69 1efi h LYS 69 Ca 0.36 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1efi h LYS 69 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1efi h LYS 69 CO -0.14 1.01 0.18 -0.44 -0.57 0.00 0.00 179.45 179.48 1efi h ASP 70 N 0.98 0.33 -0.62 0.86 3.32 -0.47 -2.20 116.42 118.61 1efi h ASP 70 Ca 0.18 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1efi h ASP 70 Cb 0.51 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1efi h ASP 70 CO 0.02 0.26 0.41 0.74 -1.72 0.00 0.00 179.24 178.95 1efi h THR 71 N 0.37 1.14 -0.67 0.35 2.02 -0.50 -2.01 112.91 113.60 1efi h THR 71 Ca 0.10 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1efi h THR 71 Cb -0.02 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1efi h THR 71 CO -0.02 0.15 0.31 -0.07 0.37 0.00 0.00 175.52 176.26 1efi h LEU 72 N 0.82 0.89 0.05 2.58 3.38 -0.86 0.62 115.31 122.79 1efi h LEU 72 Ca 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1efi h LEU 72 Cb -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1efi h LEU 72 CO -0.06 0.78 -0.02 -0.09 0.09 0.00 0.00 178.44 179.13 1efi h ARG 73 N 0.93 -0.06 -0.18 1.13 2.43 -1.14 0.43 114.38 117.91 1efi h ARG 73 Ca 0.23 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1efi h ARG 73 Cb 0.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1efi h ARG 73 CO -0.03 0.02 -0.36 0.97 -1.51 0.00 0.00 179.97 179.07 1efi h ILE 74 N -0.13 1.29 -0.40 1.20 6.09 -1.24 -0.55 117.51 123.77 1efi h ILE 74 Ca -0.01 -1.44 -0.02 0.00 -1.37 0.00 0.00 64.86 62.02 1efi h ILE 74 Cb 0.11 1.54 -0.02 0.00 0.47 0.00 0.00 36.82 38.93 1efi h ILE 74 CO 0.01 0.44 0.17 0.74 -3.07 0.00 0.00 178.15 176.44 1efi h THR 75 N 0.33 1.19 0.30 2.19 2.02 -0.74 -1.66 112.91 116.55 1efi h THR 75 Ca 0.04 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1efi h THR 75 Cb 0.78 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1efi h THR 75 CO 0.06 0.21 -0.14 0.22 0.37 0.00 0.00 175.52 176.24 1efi h TYR 76 N 0.51 -0.37 -0.62 3.16 3.20 -0.59 -1.48 116.97 120.77 1efi h TYR 76 Ca 0.14 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1efi h TYR 76 Cb 0.17 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1efi h TYR 76 CO -0.00 -0.19 0.42 -0.07 -1.64 0.00 0.00 178.16 176.68 1efi h LEU 77 N -0.47 0.41 -0.91 2.82 3.38 -0.96 -1.73 115.31 117.84 1efi h LEU 77 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1efi h LEU 77 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1efi h LEU 77 CO 0.07 0.25 -0.12 0.35 0.09 0.00 0.00 178.44 179.08 1efi n THR 78 N -4.47 0.00 -2.91 0.22 -2.24 -0.64 -4.94 114.28 99.30 1efi n THR 78 Ca 0.10 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 1efi n THR 78 Cb 0.36 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1efi n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1efi n GLU 79 N 0.01 -4.20 -2.48 -0.78 1.02 -0.65 -4.95 120.64 108.61 1efi n GLU 79 Ca 0.16 0.91 -0.41 0.00 -0.02 0.00 0.00 57.16 57.80 1efi n GLU 79 Cb 0.39 -5.73 -0.04 0.00 -0.02 0.00 0.00 31.44 26.03 1efi n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1efi s THR 80 N -3.14 3.72 0.22 2.62 2.01 -0.64 -4.82 115.64 115.62 1efi s THR 80 Ca 0.25 1.54 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 1efi s THR 80 Cb -0.11 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1efi s THR 80 CO 0.30 0.29 1.25 -0.54 -0.69 0.00 0.00 174.62 175.23 1efi s LYS 81 N -0.60 4.44 -0.16 4.92 1.02 -1.26 -4.38 119.74 123.72 1efi s LYS 81 Ca 0.49 1.99 -0.08 0.00 0.02 0.00 0.00 55.97 58.39 1efi s LYS 81 Cb -0.31 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1efi s LYS 81 CO 0.37 -0.14 0.12 0.42 -0.92 0.00 0.00 175.35 175.19 1efi s ILE 82 N -0.23 5.35 -0.05 2.17 1.01 -0.00 -4.49 121.20 124.95 1efi s ILE 82 Ca 0.53 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 1efi s ILE 82 Cb -0.35 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1efi s ILE 82 CO 0.40 0.52 -0.04 -0.78 0.00 0.00 0.00 174.94 175.03 1efi h ASP 83 N 5.95 0.00 -3.94 3.58 3.58 -1.27 0.23 116.42 124.55 1efi h ASP 83 Ca -0.47 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.63 1efi h ASP 83 Cb 1.18 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.08 1efi h ASP 83 CO 0.68 0.27 -0.73 -0.54 -2.88 0.00 0.00 179.24 176.04 1efi s LYS 84 N -1.39 1.06 -0.05 0.28 1.02 -1.15 -0.19 119.74 119.32 1efi s LYS 84 Ca -0.04 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.57 1efi s LYS 84 Cb 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 37.83 36.62 1efi s LYS 84 CO 0.05 0.10 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.00 1efi s LEU 85 N -2.99 1.45 -0.27 3.17 1.43 -0.55 -1.80 118.68 119.12 1efi s LEU 85 Ca 0.15 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1efi s LEU 85 Cb 0.00 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1efi s LEU 85 CO 0.02 -0.02 0.27 0.00 0.23 0.00 0.00 176.35 176.84 1efi s VAL 87 N 1.83 1.15 -0.18 0.00 -7.23 -0.55 0.19 120.40 115.61 1efi s VAL 87 Ca 0.11 -1.46 -0.26 0.00 -1.81 0.00 0.00 61.98 58.56 1efi s VAL 87 Cb -0.16 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1efi s VAL 87 CO 0.10 -0.32 0.85 0.26 -0.31 0.00 0.00 175.10 175.68 1efi s TRP 88 N -1.65 3.41 -1.67 2.82 0.51 0.12 -1.26 118.94 121.23 1efi s TRP 88 Ca 0.02 1.27 0.15 0.00 -2.12 0.00 0.00 56.10 55.41 1efi s TRP 88 Cb -0.08 -3.04 0.48 0.00 -0.81 0.00 0.00 33.47 30.03 1efi s TRP 88 CO 0.02 -0.27 1.38 0.27 -0.51 0.00 0.00 176.95 177.85 1efi n ASN 89 N 5.34 3.12 -1.84 2.95 0.23 0.32 -2.16 115.26 123.22 1efi n ASN 89 Ca 0.05 -2.14 0.01 0.00 -0.53 0.00 0.00 54.58 51.97 1efi n ASN 89 Cb 0.48 -0.41 0.35 0.00 -2.08 0.00 0.00 39.78 38.12 1efi n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1efi n ASN 90 N 0.89 5.15 -4.07 0.53 6.94 -1.26 -4.90 115.26 118.54 1efi n ASN 90 Ca 0.18 -3.09 -0.13 0.00 -0.02 0.00 0.00 54.58 51.53 1efi n ASN 90 Cb 0.54 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.15 1efi n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1efi s LYS 91 N -2.89 0.54 -0.10 -3.83 3.01 -1.25 -5.08 119.74 110.13 1efi s LYS 91 Ca 0.54 -0.80 -0.00 0.00 -1.01 0.00 0.00 55.97 54.69 1efi s LYS 91 Cb 0.42 -0.26 0.02 0.00 -1.01 0.00 0.00 37.83 37.01 1efi s LYS 91 CO 0.14 0.04 -0.06 0.99 0.51 0.00 0.00 175.35 176.97 1efi s THR 92 N -1.60 0.90 0.87 2.17 2.01 -1.26 -2.80 115.64 115.93 1efi s THR 92 Ca -0.08 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 1efi s THR 92 Cb -0.09 -0.94 0.11 0.00 0.01 0.00 0.00 72.50 71.60 1efi s THR 92 CO -0.00 0.35 1.09 -2.16 -0.69 0.00 0.00 174.62 173.21 1efi s PRO 93 N 1.71 1.47 0.22 4.92 0.04 -1.26 -5.06 135.00 137.03 1efi s PRO 93 Ca 0.04 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 1efi s PRO 93 Cb -0.13 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1efi s PRO 93 CO -0.07 -2.10 1.03 0.09 0.04 0.00 0.00 177.00 175.99 1efi n ASN 94 N -3.78 1.00 -4.68 6.66 3.02 -1.12 -4.48 115.26 111.87 1efi n ASN 94 Ca 0.07 1.16 -0.37 0.00 -0.03 0.00 0.00 54.58 55.40 1efi n ASN 94 Cb 0.55 -1.21 -0.08 0.00 -0.61 0.00 0.00 39.78 38.43 1efi n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1efi s SER 95 N -0.34 6.34 0.01 6.41 0.15 -0.92 -0.99 113.70 124.36 1efi s SER 95 Ca 0.67 0.39 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 1efi s SER 95 Cb -0.81 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 61.26 1efi s SER 95 CO 0.56 0.00 1.38 -0.63 1.20 0.00 0.00 173.24 175.75 1efi s ILE 96 N 1.06 3.72 -0.22 6.45 1.01 -0.13 0.14 121.20 133.24 1efi s ILE 96 Ca 0.15 1.12 0.08 0.00 0.00 0.00 0.00 60.65 62.00 1efi s ILE 96 Cb -0.14 -3.72 -0.19 0.00 0.01 0.00 0.00 42.46 38.42 1efi s ILE 96 CO 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 174.94 174.91 1efi n ALA 97 N 5.24 1.51 -3.38 9.38 0.00 0.13 -4.87 120.51 128.52 1efi n ALA 97 Ca 0.13 -1.11 -0.11 0.00 0.00 0.00 0.00 53.44 52.34 1efi n ALA 97 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1efi n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1efi s ALA 98 N -2.47 -1.43 0.05 0.00 0.00 -0.80 -4.98 121.76 112.13 1efi s ALA 98 Ca -0.23 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1efi s ALA 98 Cb 0.07 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1efi s ALA 98 CO 0.64 -0.77 -0.07 0.96 0.00 0.00 0.00 175.76 176.52 1efi s ILE 99 N -3.78 0.49 0.02 0.00 -5.25 -1.26 -1.12 121.20 110.31 1efi s ILE 99 Ca 0.03 -1.26 0.02 0.00 -0.99 0.00 0.00 60.65 58.45 1efi s ILE 99 Cb -0.01 -0.81 -0.02 0.00 2.95 0.00 0.00 42.46 44.57 1efi s ILE 99 CO -0.11 -0.52 -0.07 -0.94 -1.79 0.00 0.00 174.94 171.51 1efi s SER 100 N -1.91 0.78 -0.01 4.36 1.04 -0.75 -4.99 113.70 112.21 1efi s SER 100 Ca -0.06 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1efi s SER 100 Cb -0.06 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1efi s SER 100 CO -0.01 -0.10 0.00 -0.04 0.98 0.00 0.00 173.24 174.07 1efi s MET 101 N -1.03 0.09 0.02 4.02 -1.94 -1.26 -0.81 119.30 118.39 1efi s MET 101 Ca -0.05 0.04 0.07 0.00 -1.71 0.00 0.00 55.69 54.03 1efi s MET 101 Cb -0.07 -0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.56 1efi s MET 101 CO 0.00 -0.05 -0.20 -1.59 -0.01 0.00 0.00 175.02 173.17 1efi s LYS 102 N 0.42 1.44 0.00 2.03 -2.85 -1.26 -4.91 119.74 114.61 1efi s LYS 102 Ca -0.04 -0.84 0.13 0.00 -1.00 0.00 0.00 55.97 54.22 1efi s LYS 102 Cb -0.06 -1.49 0.79 0.00 -2.06 0.00 0.00 37.83 35.01 1efi s LYS 102 CO -0.01 0.39 1.22 -1.71 0.10 0.00 0.00 175.35 175.34