#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z s PRO 17 N 0.00 1.35 0.11 -1.46 0.04 -1.26 -4.97 135.00 128.81 1m5z s PRO 17 Ca 0.00 0.93 -0.33 0.00 0.04 0.00 0.00 61.00 61.64 1m5z s PRO 17 Cb 0.00 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 1m5z s PRO 17 CO 0.00 -2.21 1.57 1.15 0.04 0.00 0.00 177.00 177.55 1m5z h THR 18 N -1.53 0.07 -3.79 1.26 2.02 -2.05 -3.42 112.91 105.48 1m5z h THR 18 Ca -0.48 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.18 1m5z h THR 18 Cb 1.27 0.07 0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1m5z h THR 18 CO 0.53 0.00 0.57 -2.16 0.37 0.00 0.00 175.52 174.83 1m5z s PRO 19 N -5.84 4.49 1.06 6.66 0.04 -1.26 -4.96 135.00 135.20 1m5z s PRO 19 Ca -0.16 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1m5z s PRO 19 Cb 0.07 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1m5z s PRO 19 CO 0.62 -0.02 -0.78 1.33 0.04 0.00 0.00 177.00 178.20 1m5z n VAL 20 N 1.18 0.00 -4.36 -0.36 0.24 -1.26 -4.84 118.33 108.93 1m5z n VAL 20 Ca 0.00 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 1m5z n VAL 20 Cb 0.43 -0.31 -0.16 0.00 -1.47 0.00 0.00 33.84 32.33 1m5z n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1m5z s GLU 21 N -2.73 2.64 0.58 7.34 2.02 -0.89 -4.82 118.70 122.85 1m5z s GLU 21 Ca 0.46 -0.71 -0.21 0.00 0.02 0.00 0.00 54.97 54.54 1m5z s GLU 21 Cb -0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1m5z s GLU 21 CO 0.66 -0.12 1.34 -0.51 0.02 0.00 0.00 175.26 176.66 1m5z s LEU 22 N 1.11 3.76 -0.27 1.80 1.43 -1.26 -2.24 118.68 123.01 1m5z s LEU 22 Ca -0.02 2.73 -0.06 0.00 -1.03 0.00 0.00 54.13 55.75 1m5z s LEU 22 Cb -0.14 -4.38 0.14 0.00 0.03 0.00 0.00 46.19 41.83 1m5z s LEU 22 CO -0.06 -1.72 0.56 -2.28 0.23 0.00 0.00 176.35 173.08 1m5z s HIS 23 N -1.33 -1.25 -0.13 0.29 5.65 0.50 -4.93 115.29 114.09 1m5z s HIS 23 Ca 0.75 1.87 -0.29 0.00 0.25 0.00 0.00 55.06 57.64 1m5z s HIS 23 Cb -0.40 0.57 -0.02 0.00 -1.18 0.00 0.00 32.58 31.55 1m5z s HIS 23 CO 0.45 -0.69 1.30 -1.59 -0.65 0.00 0.00 174.74 173.56 1m5z s LYS 24 N 2.80 4.25 0.06 2.88 -2.85 -1.26 -2.22 119.74 123.39 1m5z s LYS 24 Ca 0.03 1.73 0.09 0.00 -1.00 0.00 0.00 55.97 56.81 1m5z s LYS 24 Cb -0.13 -3.75 -0.03 0.00 -2.06 0.00 0.00 37.83 31.86 1m5z s LYS 24 CO -0.18 -0.68 -0.23 0.08 0.10 0.00 0.00 175.35 174.45 1m5z s VAL 25 N 3.31 2.45 -0.23 1.79 1.01 0.11 -4.98 120.40 123.86 1m5z s VAL 25 Ca 0.57 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1m5z s VAL 25 Cb -0.24 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.20 1m5z s VAL 25 CO 0.18 0.31 0.06 -0.89 0.00 0.00 0.00 175.10 174.76 1m5z s THR 26 N -0.90 0.54 0.48 3.92 2.01 -1.25 -0.20 115.64 120.24 1m5z s THR 26 Ca 0.13 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.45 1m5z s THR 26 Cb -0.10 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1m5z s THR 26 CO 0.04 -0.37 0.56 -0.76 -0.69 0.00 0.00 174.62 173.40 1m5z s LEU 27 N 1.83 3.32 0.19 4.42 1.02 -0.21 -4.85 118.68 124.40 1m5z s LEU 27 Ca 0.02 -0.72 0.10 0.00 0.02 0.00 0.00 54.13 53.55 1m5z s LEU 27 Cb -0.17 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 1m5z s LEU 27 CO -0.15 -0.93 -0.20 -0.31 0.02 0.00 0.00 176.35 174.79 1m5z s TYR 28 N -2.52 2.00 0.27 0.29 1.51 -1.26 0.40 117.35 118.03 1m5z s TYR 28 Ca 0.52 -0.43 0.09 0.00 -1.01 0.00 0.00 57.07 56.24 1m5z s TYR 28 Cb -0.06 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1m5z s TYR 28 CO 0.32 0.43 0.05 0.21 -1.11 0.00 0.00 175.55 175.45 1m5z s LYS 29 N -2.94 2.45 0.01 -0.62 2.20 0.97 -4.77 119.74 117.04 1m5z s LYS 29 Ca 0.20 -1.34 0.04 0.00 -0.36 0.00 0.00 55.97 54.51 1m5z s LYS 29 Cb -0.06 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 1m5z s LYS 29 CO 0.09 0.35 -0.14 0.34 -0.36 0.00 0.00 175.35 175.63 1m5z s ASP 30 N -3.73 1.61 0.52 1.43 -1.08 -1.26 -4.84 116.67 109.32 1m5z s ASP 30 Ca 0.32 -0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.24 1m5z s ASP 30 Cb -0.06 -0.15 1.32 0.00 -1.46 0.00 0.00 42.92 42.57 1m5z s ASP 30 CO 0.21 0.11 2.03 -1.28 0.52 0.00 0.00 175.17 176.77 1m5z h SER 31 N 5.46 0.05 -0.92 -0.34 0.87 -2.00 -1.06 113.55 115.60 1m5z h SER 31 Ca -0.35 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.60 1m5z h SER 31 Cb 1.17 -0.01 -0.31 0.00 -0.44 0.00 0.00 62.40 62.82 1m5z h SER 31 CO 0.47 0.03 0.50 0.61 -0.53 0.00 0.00 176.83 177.90 1m5z n GLY 32 N -1.60 5.75 3.11 5.77 0.00 -1.26 -4.85 105.19 112.10 1m5z n GLY 32 Ca 0.07 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 1m5z n GLY 32 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m5z s MET 33 N -3.69 0.50 0.27 1.61 -1.94 -0.40 -5.02 119.30 110.63 1m5z s MET 33 Ca 0.60 0.90 0.12 0.00 -1.71 0.00 0.00 55.69 55.60 1m5z s MET 33 Cb 0.48 0.27 0.32 0.00 2.01 0.00 0.00 34.83 37.91 1m5z s MET 33 CO 0.01 -0.59 1.57 0.93 -0.01 0.00 0.00 175.02 176.94 1m5z h GLU 34 N 8.06 0.00 -7.53 2.03 5.08 -1.89 -3.37 114.58 116.96 1m5z h GLU 34 Ca -0.22 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.69 1m5z h GLU 34 Cb 1.15 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.53 1m5z h GLU 34 CO 0.25 0.62 0.29 0.34 -1.00 0.00 0.00 179.01 179.51 1m5z s ASP 35 N -6.71 3.63 -0.22 1.42 2.15 -1.26 -4.81 116.67 110.87 1m5z s ASP 35 Ca -0.00 -0.01 0.11 0.00 0.43 0.00 0.00 52.55 53.08 1m5z s ASP 35 Cb 0.12 -0.17 0.43 0.00 -0.30 0.00 0.00 42.92 42.99 1m5z s ASP 35 CO 0.75 -2.37 1.25 0.49 -0.17 0.00 0.00 175.17 175.12 1m5z n PHE 36 N -3.38 0.15 -0.87 -5.34 3.72 -1.26 -4.74 117.46 105.75 1m5z n PHE 36 Ca 0.15 -1.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.07 1m5z n PHE 36 Cb 0.60 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m5z n GLY 37 N -1.14 0.62 3.57 1.37 0.00 -1.26 -3.27 105.19 105.09 1m5z n GLY 37 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1m5z n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m5z s PHE 38 N -2.27 -0.41 0.17 1.61 -0.71 -1.26 0.29 117.98 115.39 1m5z s PHE 38 Ca 0.00 0.80 -0.06 0.00 -1.04 0.00 0.00 56.93 56.62 1m5z s PHE 38 Cb 0.00 0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 42.00 1m5z s PHE 38 CO 0.00 -0.21 0.43 0.45 -1.34 0.00 0.00 175.22 174.55 1m5z s SER 39 N 1.51 6.53 0.13 1.98 0.15 0.78 -4.96 113.70 119.83 1m5z s SER 39 Ca -0.07 0.69 0.10 0.00 0.70 0.00 0.00 55.95 57.37 1m5z s SER 39 Cb -0.03 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1m5z s SER 39 CO -0.14 0.02 -0.24 0.68 1.20 0.00 0.00 173.24 174.76 1m5z s VAL 40 N -1.70 2.04 0.54 4.45 -7.23 -1.26 0.13 120.40 117.37 1m5z s VAL 40 Ca 0.43 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 1m5z s VAL 40 Cb -0.12 -1.84 0.05 0.00 0.56 0.00 0.00 36.38 35.02 1m5z s VAL 40 CO 0.23 -0.01 0.48 0.00 -0.31 0.00 0.00 175.10 175.50 1m5z s ALA 41 N -1.22 4.47 0.49 1.32 0.00 0.31 -4.74 121.76 122.40 1m5z s ALA 41 Ca 0.12 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1m5z s ALA 41 Cb -0.10 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1m5z s ALA 41 CO 0.06 -0.52 0.69 0.34 0.00 0.00 0.00 175.76 176.33 1m5z s ASP 42 N -4.35 5.53 -0.42 0.00 2.15 -1.26 -2.25 116.67 116.06 1m5z s ASP 42 Ca 0.40 -0.02 -0.17 0.00 0.43 0.00 0.00 52.55 53.20 1m5z s ASP 42 Cb -0.03 -1.04 0.02 0.00 -0.30 0.00 0.00 42.92 41.58 1m5z s ASP 42 CO 0.25 -0.91 0.44 -0.83 -0.17 0.00 0.00 175.17 173.94 1m5z s GLY 43 N -4.34 1.90 0.00 2.66 0.00 0.28 -4.78 107.32 103.04 1m5z s GLY 43 Ca 0.54 -1.54 0.19 0.00 0.00 0.00 0.00 44.72 43.91 1m5z s GLY 43 CO 0.37 1.16 1.44 1.04 0.00 0.00 0.00 173.10 177.10 1m5z n LEU 44 N 5.59 2.68 0.00 0.66 4.77 -1.26 -3.62 117.00 125.82 1m5z n LEU 44 Ca -0.07 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1m5z n LEU 44 Cb 0.47 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1m5z n LEU 44 CO 0.46 0.62 0.01 -0.11 -1.33 0.00 0.00 177.39 177.04 1m5z n LEU 45 N 0.97 0.00 -1.28 2.23 -0.00 -1.26 -4.94 117.00 112.72 1m5z n LEU 45 Ca 0.18 -0.01 -0.05 0.00 -0.00 0.00 0.00 56.01 56.12 1m5z n LEU 45 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.84 1m5z n LEU 45 CO 0.13 0.13 0.36 -1.84 -0.00 0.00 0.00 177.39 176.18 1m5z n GLU 46 N 0.00 0.20 -1.63 1.96 0.00 -1.26 -5.08 120.64 114.83 1m5z n GLU 46 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 57.16 56.02 1m5z n GLU 46 Cb 0.26 0.42 0.00 0.00 0.00 0.00 0.00 31.44 32.13 1m5z n GLU 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1m5z n LYS 47 N -0.17 -0.14 0.00 3.44 4.76 -1.24 -4.92 118.16 119.89 1m5z n LYS 47 Ca -0.24 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1m5z n LYS 47 Cb 0.76 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1m5z n GLY 48 N 0.90 1.26 3.26 0.72 0.00 -1.21 -4.36 105.19 105.76 1m5z n GLY 48 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1m5z n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m5z s VAL 49 N -2.16 -0.01 0.13 1.61 1.01 -1.22 0.10 120.40 119.86 1m5z s VAL 49 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1m5z s VAL 49 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1m5z s VAL 49 CO 0.00 0.01 0.01 -0.31 0.00 0.00 0.00 175.10 174.81 1m5z s TYR 50 N 0.49 0.94 -0.03 5.22 2.02 -0.96 -2.45 117.35 122.58 1m5z s TYR 50 Ca -0.02 -1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 55.27 1m5z s TYR 50 Cb -0.04 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 1m5z s TYR 50 CO -0.03 -0.36 1.42 0.08 -1.57 0.00 0.00 175.55 175.10 1m5z s VAL 51 N -3.85 3.76 -0.03 0.71 1.01 -1.24 0.12 120.40 120.87 1m5z s VAL 51 Ca 0.20 1.09 0.12 0.00 0.00 0.00 0.00 61.98 63.40 1m5z s VAL 51 Cb 0.07 -3.70 -0.22 0.00 0.00 0.00 0.00 36.38 32.53 1m5z s VAL 51 CO 0.00 -0.03 0.74 0.50 0.00 0.00 0.00 175.10 176.32 1m5z h LYS 52 N 8.11 0.00 -1.78 2.72 3.64 0.71 -2.74 116.57 127.22 1m5z h LYS 52 Ca -0.37 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.21 1m5z h LYS 52 Cb 1.17 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.82 1m5z h LYS 52 CO 0.92 0.54 0.69 0.54 -2.27 0.00 0.00 179.45 179.87 1m5z s ASN 53 N -6.14 -0.22 -0.02 4.20 2.20 -0.98 -4.98 114.94 108.99 1m5z s ASN 53 Ca -0.04 -0.00 0.05 0.00 -0.94 0.00 0.00 52.86 51.93 1m5z s ASN 53 Cb 0.08 0.24 -0.01 0.00 -2.00 0.00 0.00 41.25 39.56 1m5z s ASN 53 CO 0.82 -0.38 -0.17 -0.63 -2.94 0.00 0.00 177.10 173.80 1m5z s ILE 54 N -2.69 1.36 0.72 0.54 1.01 -1.26 -0.15 121.20 120.74 1m5z s ILE 54 Ca 0.08 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 1m5z s ILE 54 Cb -0.01 -1.15 0.04 0.00 0.01 0.00 0.00 42.46 41.35 1m5z s ILE 54 CO -0.06 0.39 1.18 -0.13 0.00 0.00 0.00 174.94 176.32 1m5z s ARG 55 N -0.25 2.24 -0.60 2.79 0.52 0.14 -4.91 118.95 118.89 1m5z s ARG 55 Ca 0.03 1.66 -0.27 0.00 -0.52 0.00 0.00 55.73 56.63 1m5z s ARG 55 Cb -0.08 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1m5z s ARG 55 CO 0.00 -1.73 1.60 -1.25 0.02 0.00 0.00 175.30 173.94 1m5z s PRO 56 N -4.00 3.01 0.00 3.54 0.04 -1.26 -2.97 135.00 133.35 1m5z s PRO 56 Ca 0.72 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1m5z s PRO 56 Cb -0.27 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1m5z s PRO 56 CO 0.45 -2.30 0.00 0.00 0.04 0.00 0.00 177.00 175.19 1m5z n ALA 57 N 10.90 0.00 -0.46 8.56 0.00 -1.26 -5.03 120.51 133.21 1m5z n ALA 57 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1m5z n ALA 57 Cb 0.50 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.23 1m5z n ALA 57 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1m5z s GLY 58 N -1.92 1.46 0.26 0.00 0.00 -1.16 -4.39 107.32 101.57 1m5z s GLY 58 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1m5z s GLY 58 CO 0.00 0.30 1.65 -2.55 0.00 0.00 0.00 173.10 172.50 1m5z h PRO 59 N -3.15 0.19 -0.91 2.90 0.11 -1.82 0.90 132.00 130.21 1m5z h PRO 59 Ca -0.49 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.67 1m5z h PRO 59 Cb 1.34 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1m5z h PRO 59 CO 0.36 0.12 0.58 0.78 -0.21 0.00 0.00 178.00 179.63 1m5z h GLY 60 N 0.19 1.39 1.78 -0.55 0.00 -1.62 0.29 103.07 104.55 1m5z h GLY 60 Ca 0.47 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1m5z h GLY 60 CO -0.62 0.28 -0.69 -1.80 0.00 0.00 0.00 176.54 173.71 1m5z h ASP 61 N 1.04 0.26 0.35 0.19 1.82 -1.12 -2.53 116.42 116.43 1m5z h ASP 61 Ca 0.40 -0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.74 1m5z h ASP 61 Cb 0.18 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1m5z h ASP 61 CO -0.18 0.87 -0.53 -0.07 -1.61 0.00 0.00 179.24 177.72 1m5z h LEU 62 N 0.15 0.21 0.30 2.28 3.38 0.20 -3.30 115.31 118.54 1m5z h LEU 62 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1m5z h LEU 62 Cb 1.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1m5z h LEU 62 CO 0.11 0.70 -0.14 1.23 0.09 0.00 0.00 178.44 180.42 1m5z h GLY 63 N 1.42 -0.42 0.00 0.83 0.00 -0.34 -3.49 103.07 101.07 1m5z h GLY 63 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1m5z h GLY 63 CO 0.08 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1m5z n GLY 64 N 0.47 1.16 3.42 4.60 0.00 -0.96 -5.02 105.19 108.86 1m5z n GLY 64 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1m5z n GLY 64 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1m5z s LEU 65 N 0.00 3.04 0.34 0.99 2.34 -1.22 -5.10 118.68 119.07 1m5z s LEU 65 Ca 0.00 -0.25 0.03 0.00 0.06 0.00 0.00 54.13 53.97 1m5z s LEU 65 Cb 0.00 -1.74 -0.02 0.00 -0.56 0.00 0.00 46.19 43.87 1m5z s LEU 65 CO 0.00 0.11 0.51 -0.54 -1.06 0.00 0.00 176.35 175.37 1m5z s LYS 66 N 0.69 3.31 0.75 1.48 1.02 -1.26 -4.84 119.74 120.89 1m5z s LYS 66 Ca -0.03 -0.62 -0.16 0.00 0.02 0.00 0.00 55.97 55.19 1m5z s LYS 66 Cb -0.15 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1m5z s LYS 66 CO 0.02 0.11 0.59 -0.35 -0.92 0.00 0.00 175.35 174.81 1m5z n PRO 67 N -1.72 0.25 0.00 -1.68 -0.04 -1.26 -2.84 135.00 127.71 1m5z n PRO 67 Ca -0.04 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1m5z n PRO 67 Cb 0.57 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m5z n TYR 68 N -2.58 0.00 -1.52 0.54 4.01 -1.04 -4.92 117.16 111.66 1m5z n TYR 68 Ca 0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.70 1m5z n TYR 68 Cb 0.50 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.43 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1m5z n ASP 69 N 0.11 0.92 -4.66 7.72 5.75 -1.13 -4.63 116.55 120.63 1m5z n ASP 69 Ca 0.00 -1.49 -0.42 0.00 -0.01 0.00 0.00 54.79 52.87 1m5z n ASP 69 Cb 0.00 -1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 38.65 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1m5z s ARG 70 N 8.31 4.18 -0.32 0.11 3.52 -0.62 -3.72 118.95 130.41 1m5z s ARG 70 Ca 0.93 2.20 -0.29 0.00 -0.13 0.00 0.00 55.73 58.45 1m5z s ARG 70 Cb -0.24 -3.99 -0.02 0.00 -1.56 0.00 0.00 34.95 29.14 1m5z s ARG 70 CO 0.18 -0.85 1.74 -0.51 -0.81 0.00 0.00 175.30 175.05 1m5z s LEU 71 N 4.05 3.57 -0.12 -0.88 1.43 -1.03 -1.41 118.68 124.30 1m5z s LEU 71 Ca 0.74 1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 55.09 1m5z s LEU 71 Cb -0.34 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 1m5z s LEU 71 CO 0.30 -1.61 0.08 -0.07 0.23 0.00 0.00 176.35 175.29 1m5z h LEU 72 N 13.20 0.00 -8.03 1.79 4.07 -0.81 -3.04 115.31 122.48 1m5z h LEU 72 Ca -0.33 -0.17 -0.48 0.00 0.08 0.00 0.00 57.88 56.98 1m5z h LEU 72 Cb 1.16 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 42.59 1m5z h LEU 72 CO 1.03 0.68 -0.81 -1.10 -1.08 0.00 0.00 178.44 177.17 1m5z s GLN 73 N -1.84 1.31 -0.29 1.13 -0.21 -1.09 0.13 119.66 118.80 1m5z s GLN 73 Ca -0.08 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.91 1m5z s GLN 73 Cb 0.00 -1.17 0.06 0.00 1.00 0.00 0.00 33.01 32.91 1m5z s GLN 73 CO 0.18 0.12 -0.03 0.08 -2.12 0.00 0.00 175.29 173.52 1m5z s VAL 74 N 0.27 2.60 -1.20 1.09 1.01 0.16 -0.20 120.40 124.14 1m5z s VAL 74 Ca -0.06 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 1m5z s VAL 74 Cb -0.11 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1m5z s VAL 74 CO 0.02 -0.15 0.59 0.59 0.00 0.00 0.00 175.10 176.14 1m5z n ASN 75 N 4.51 -5.26 0.00 3.32 4.13 0.21 -1.83 115.26 120.33 1m5z n ASN 75 Ca -0.11 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1m5z n ASN 75 Cb 0.43 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.61 1m5z n ASN 75 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1m5z n HIS 76 N -4.31 0.00 -2.95 3.10 8.25 -1.26 -5.02 115.22 113.03 1m5z n HIS 76 Ca -0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.00 1m5z n HIS 76 Cb 0.59 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.64 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m5z s VAL 77 N -2.06 4.39 -0.04 1.59 1.01 -0.76 -5.01 120.40 119.52 1m5z s VAL 77 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1m5z s VAL 77 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1m5z s VAL 77 CO 0.00 0.49 1.47 -0.13 0.00 0.00 0.00 175.10 176.94 1m5z s ARG 78 N -0.97 4.24 0.00 2.72 0.52 -1.26 0.41 118.95 124.60 1m5z s ARG 78 Ca 0.37 2.01 0.18 0.00 -0.52 0.00 0.00 55.73 57.77 1m5z s ARG 78 Cb -0.23 -3.73 0.30 0.00 0.52 0.00 0.00 34.95 31.81 1m5z s ARG 78 CO 0.26 -0.69 1.10 0.25 0.02 0.00 0.00 175.30 176.25 1m5z n THR 79 N 5.02 0.00 0.03 0.02 -2.24 0.34 -4.85 114.28 112.60 1m5z n THR 79 Ca 0.15 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 1m5z n THR 79 Cb 0.43 0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 69.41 1m5z n THR 79 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1m5z h ARG 80 N 0.70 -0.15 -0.87 -0.78 1.12 0.11 -3.25 114.38 111.25 1m5z h ARG 80 Ca -0.23 0.01 -0.23 0.00 -1.11 0.00 0.00 59.98 58.42 1m5z h ARG 80 Cb 1.74 0.03 -0.14 0.00 -0.01 0.00 0.00 29.97 31.60 1m5z h ARG 80 CO 0.03 0.33 0.29 -0.25 -3.11 0.00 0.00 179.97 177.26 1m5z n ASP 81 N -4.89 3.97 -4.78 -3.80 8.00 -1.26 -4.14 116.55 109.64 1m5z n ASP 81 Ca -0.08 -3.00 -0.29 0.00 0.71 0.00 0.00 54.79 52.13 1m5z n ASP 81 Cb 0.28 -0.71 0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1m5z s PHE 82 N -2.40 2.71 0.25 1.24 0.40 -1.22 -4.50 117.98 114.46 1m5z s PHE 82 Ca 0.42 0.63 0.08 0.00 -0.60 0.00 0.00 56.93 57.45 1m5z s PHE 82 Cb 0.34 -3.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.28 1m5z s PHE 82 CO 0.10 -1.87 0.13 -0.51 0.70 0.00 0.00 175.22 173.77 1m5z s ASP 83 N -4.62 5.23 0.27 1.36 1.11 -1.26 -3.33 116.67 115.42 1m5z s ASP 83 Ca 0.64 -0.37 0.01 0.00 0.18 0.00 0.00 52.55 53.01 1m5z s ASP 83 Cb -0.10 -1.24 0.59 0.00 1.07 0.00 0.00 42.92 43.25 1m5z s ASP 83 CO 0.49 -0.02 1.76 0.00 1.18 0.00 0.00 175.17 178.57 1m5z n LEU 86 N -3.30 0.73 0.10 0.00 4.32 0.20 -4.14 117.00 114.91 1m5z n LEU 86 Ca -0.02 0.18 -0.17 0.00 -0.02 0.00 0.00 56.01 55.98 1m5z n LEU 86 Cb 0.15 0.17 -0.13 0.00 -1.62 0.00 0.00 43.42 41.99 1m5z n LEU 86 CO 0.25 0.51 -0.04 0.58 -1.22 0.00 0.00 177.39 177.46 1m5z h VAL 87 N 0.00 1.46 -0.03 4.08 2.07 0.11 -2.54 116.25 121.41 1m5z h VAL 87 Ca -0.43 -2.93 0.01 0.00 0.82 0.00 0.00 66.70 64.17 1m5z h VAL 87 Cb 2.11 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 34.75 1m5z h VAL 87 CO 0.05 0.86 -0.06 0.58 0.02 0.00 0.00 177.57 179.02 1m5z h VAL 88 N 0.11 0.84 -0.22 2.57 2.07 -0.65 -0.50 116.25 120.47 1m5z h VAL 88 Ca -0.14 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1m5z h VAL 88 Cb 1.94 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1m5z h VAL 88 CO 0.21 0.00 -0.21 -0.65 0.02 0.00 0.00 177.57 176.94 1m5z h PRO 89 N -0.09 0.53 -0.67 1.57 0.11 -1.72 -2.28 132.00 129.45 1m5z h PRO 89 Ca 0.03 -0.28 0.13 0.00 0.11 0.00 0.00 66.00 66.00 1m5z h PRO 89 Cb 0.13 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1m5z h PRO 89 CO -0.08 0.86 0.45 -0.07 -0.21 0.00 0.00 178.00 178.95 1m5z h LEU 90 N 0.22 0.32 -0.02 2.35 3.38 -1.33 0.31 115.31 120.54 1m5z h LEU 90 Ca 0.04 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1m5z h LEU 90 Cb 0.75 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1m5z h LEU 90 CO 0.05 0.17 -0.41 0.40 0.09 0.00 0.00 178.44 178.75 1m5z h ILE 91 N 0.34 1.47 0.00 1.22 2.04 -0.96 -3.08 117.51 118.55 1m5z h ILE 91 Ca 0.32 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1m5z h ILE 91 Cb 0.79 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1m5z h ILE 91 CO -0.09 0.55 0.00 0.00 0.00 0.00 0.00 178.15 178.62 1m5z n ALA 92 N -2.55 2.28 0.74 1.87 0.00 -0.59 -2.75 120.51 119.51 1m5z n ALA 92 Ca -0.10 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1m5z n ALA 92 Cb 0.57 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 1m5z n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1m5z n GLU 93 N -1.19 0.46 0.18 0.00 1.02 0.98 -4.28 120.64 117.81 1m5z n GLU 93 Ca 0.14 -0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1m5z n GLU 93 Cb 0.15 -1.45 0.62 0.00 -0.02 0.00 0.00 31.44 30.74 1m5z n GLU 93 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1m5z h SER 94 N 0.00 0.00 0.00 1.62 0.02 -1.42 -3.48 113.55 110.28 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1m5z h SER 94 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1m5z h SER 94 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1m5z n GLY 95 N -0.66 0.37 0.00 -3.77 0.00 -1.26 -3.88 105.19 95.99 1m5z n GLY 95 Ca -0.00 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.77 1m5z n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m5z n ASN 96 N 1.45 0.00 -4.05 1.61 3.02 -1.26 -4.27 115.26 111.76 1m5z n ASN 96 Ca 0.00 0.21 -0.11 0.00 -0.03 0.00 0.00 54.58 54.64 1m5z n ASN 96 Cb 0.00 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 38.68 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m5z s LYS 97 N -2.75 0.50 -0.31 3.52 1.02 -1.25 -0.02 119.74 120.44 1m5z s LYS 97 Ca 0.15 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.32 1m5z s LYS 97 Cb 0.14 -0.12 0.11 0.00 -0.52 0.00 0.00 37.83 37.43 1m5z s LYS 97 CO 0.34 0.00 0.14 -1.17 -0.92 0.00 0.00 175.35 173.74 1m5z s LEU 98 N -1.79 1.10 -0.30 3.17 0.20 0.16 -4.52 118.68 116.71 1m5z s LEU 98 Ca -0.08 -1.61 -0.16 0.00 0.69 0.00 0.00 54.13 52.96 1m5z s LEU 98 Cb -0.07 -0.50 -0.02 0.00 -0.43 0.00 0.00 46.19 45.16 1m5z s LEU 98 CO -0.01 -0.40 0.43 -1.81 -0.29 0.00 0.00 176.35 174.27 1m5z s ASP 99 N 1.70 6.30 0.06 3.68 1.11 -1.26 -1.05 116.67 127.21 1m5z s ASP 99 Ca 0.11 0.19 -0.07 0.00 0.18 0.00 0.00 52.55 52.97 1m5z s ASP 99 Cb -0.18 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.56 1m5z s ASP 99 CO -0.25 -0.30 0.14 -1.48 1.18 0.00 0.00 175.17 174.46 1m5z s LEU 100 N 2.19 1.65 -0.34 1.23 0.05 0.72 0.66 118.68 124.84 1m5z s LEU 100 Ca 0.17 -0.60 -0.06 0.00 0.05 0.00 0.00 54.13 53.69 1m5z s LEU 100 Cb -0.16 0.80 0.05 0.00 -2.05 0.00 0.00 46.19 44.83 1m5z s LEU 100 CO 0.11 -0.61 0.10 -0.69 -0.55 0.00 0.00 176.35 174.70 1m5z s VAL 101 N -3.24 3.64 0.40 1.48 1.01 0.72 0.04 120.40 124.45 1m5z s VAL 101 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1m5z s VAL 101 Cb 0.02 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1m5z s VAL 101 CO -0.08 -0.21 0.39 0.27 0.00 0.00 0.00 175.10 175.48 1m5z s ILE 102 N 1.36 2.84 -0.16 2.22 -5.25 -0.94 -0.24 121.20 121.03 1m5z s ILE 102 Ca -0.02 -1.30 -0.01 0.00 -0.99 0.00 0.00 60.65 58.33 1m5z s ILE 102 Cb -0.20 -3.03 0.04 0.00 2.95 0.00 0.00 42.46 42.22 1m5z s ILE 102 CO 0.02 -0.03 -0.02 -0.44 -1.79 0.00 0.00 174.94 172.68 1m5z s SER 103 N -4.14 2.64 -0.03 4.36 0.01 -0.50 -0.37 113.70 115.67 1m5z s SER 103 Ca 0.48 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 1m5z s SER 103 Cb -0.04 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.48 1m5z s SER 103 CO 0.28 -0.22 0.05 0.00 0.41 0.00 0.00 173.24 173.76 1m5z s ARG 104 N 1.76 -0.00 -0.04 12.44 1.04 -0.95 -1.60 118.95 131.60 1m5z s ARG 104 Ca 0.01 0.19 -0.30 0.00 -1.04 0.00 0.00 55.73 54.60 1m5z s ARG 104 Cb -0.15 -0.18 -0.06 0.00 -2.04 0.00 0.00 34.95 32.51 1m5z s ARG 104 CO -0.07 -0.14 1.72 -0.80 -0.04 0.00 0.00 175.30 175.97 1m5z s ASN 105 N 0.89 6.61 0.00 -2.89 0.02 -1.26 -2.08 114.94 116.23 1m5z s ASN 105 Ca -0.07 2.31 0.17 0.00 -1.02 0.00 0.00 52.86 54.25 1m5z s ASN 105 Cb -0.10 -2.53 1.03 0.00 0.02 0.00 0.00 41.25 39.67 1m5z s ASN 105 CO -0.03 -0.96 1.43 -0.81 0.02 0.00 0.00 177.10 176.75