#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 3.90 0.16 1.43 0.04 -1.26 -4.94 135.00 134.33 1m5z s PRO 17 Ca 0.00 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 1m5z s PRO 17 Cb 0.00 -2.44 0.08 0.00 0.04 0.00 0.00 34.50 32.19 1m5z s PRO 17 CO 0.00 -0.41 1.65 1.15 0.04 0.00 0.00 177.00 179.43 1m5z h THR 18 N 1.96 0.51 -2.76 1.26 2.02 -2.03 -3.41 112.91 110.45 1m5z h THR 18 Ca -0.49 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.16 1m5z h THR 18 Cb 1.24 0.51 0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1m5z h THR 18 CO 0.61 0.00 0.94 -2.16 0.37 0.00 0.00 175.52 175.28 1m5z s PRO 19 N -6.17 4.22 0.58 6.66 0.04 -1.26 -4.89 135.00 134.18 1m5z s PRO 19 Ca -0.14 2.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1m5z s PRO 19 Cb 0.14 -3.54 -0.11 0.00 0.04 0.00 0.00 34.50 31.03 1m5z s PRO 19 CO 0.70 -0.67 0.24 1.33 0.04 0.00 0.00 177.00 178.64 1m5z n VAL 20 N 4.62 1.30 -4.04 -0.36 0.24 -1.26 -4.82 118.33 114.00 1m5z n VAL 20 Ca 0.15 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.34 61.61 1m5z n VAL 20 Cb 0.41 -0.41 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 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 -1.75 3.45 0.14 7.34 2.02 -0.88 -4.77 118.70 124.25 1m5z s GLU 21 Ca 0.63 -0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.07 1m5z s GLU 21 Cb -0.45 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1m5z s GLU 21 CO 0.60 -0.10 0.09 -0.48 0.02 0.00 0.00 175.26 175.39 1m5z s LEU 22 N 1.23 3.69 -0.09 1.80 0.05 -1.25 -0.94 118.68 123.16 1m5z s LEU 22 Ca 0.03 -0.15 -0.13 0.00 0.05 0.00 0.00 54.13 53.93 1m5z s LEU 22 Cb -0.14 -2.33 0.03 0.00 -2.05 0.00 0.00 46.19 41.69 1m5z s LEU 22 CO -0.01 0.11 0.32 -1.38 -0.55 0.00 0.00 176.35 174.84 1m5z s HIS 23 N -1.62 -0.30 -0.39 3.48 -3.43 0.44 -4.96 115.29 108.51 1m5z s HIS 23 Ca 0.29 0.67 -0.29 0.00 -0.80 0.00 0.00 55.06 54.93 1m5z s HIS 23 Cb -0.11 0.11 0.01 0.00 -1.43 0.00 0.00 32.58 31.17 1m5z s HIS 23 CO 0.22 -0.25 1.25 -1.59 -2.00 0.00 0.00 174.74 172.37 1m5z s LYS 24 N -0.35 3.78 0.14 -0.38 -2.85 -1.26 -2.10 119.74 116.72 1m5z s LYS 24 Ca -0.05 0.92 0.05 0.00 -1.00 0.00 0.00 55.97 55.89 1m5z s LYS 24 Cb -0.03 -3.91 -0.04 0.00 -2.06 0.00 0.00 37.83 31.79 1m5z s LYS 24 CO 0.02 -1.30 0.08 0.14 0.10 0.00 0.00 175.35 174.39 1m5z s VAL 25 N 4.60 4.26 -0.07 1.79 -7.23 0.27 -4.94 120.40 119.07 1m5z s VAL 25 Ca 0.53 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1m5z s VAL 25 Cb -0.12 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.71 1m5z s VAL 25 CO 0.27 -0.04 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.11 1m5z s THR 26 N -1.63 0.54 0.50 5.32 2.01 -1.25 -0.08 115.64 121.04 1m5z s THR 26 Ca 0.29 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1m5z s THR 26 Cb -0.10 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.78 1m5z s THR 26 CO 0.21 0.27 0.42 -0.76 -0.69 0.00 0.00 174.62 174.08 1m5z s LEU 27 N 1.69 2.99 -0.03 4.42 1.02 0.86 -4.32 118.68 125.31 1m5z s LEU 27 Ca 0.01 -1.03 -0.01 0.00 0.02 0.00 0.00 54.13 53.12 1m5z s LEU 27 Cb -0.13 -1.53 0.03 0.00 0.02 0.00 0.00 46.19 44.58 1m5z s LEU 27 CO -0.05 -0.94 0.04 -0.31 0.02 0.00 0.00 176.35 175.11 1m5z s TYR 28 N -2.65 0.14 0.12 0.29 2.02 -1.26 -0.89 117.35 115.11 1m5z s TYR 28 Ca 0.42 0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 57.19 1m5z s TYR 28 Cb -0.02 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 41.06 1m5z s TYR 28 CO 0.25 -0.16 0.39 0.21 -1.57 0.00 0.00 175.55 174.67 1m5z s LYS 29 N 1.64 3.68 0.16 -0.62 2.20 -0.35 -4.44 119.74 122.01 1m5z s LYS 29 Ca -0.02 0.03 0.09 0.00 -0.36 0.00 0.00 55.97 55.72 1m5z s LYS 29 Cb -0.13 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1m5z s LYS 29 CO -0.03 0.50 -0.21 0.34 -0.36 0.00 0.00 175.35 175.60 1m5z s ASP 30 N -2.13 2.90 0.53 1.43 2.15 -1.26 -4.80 116.67 115.49 1m5z s ASP 30 Ca 0.38 -0.83 0.28 0.00 0.43 0.00 0.00 52.55 52.81 1m5z s ASP 30 Cb -0.13 -0.18 1.50 0.00 -0.30 0.00 0.00 42.92 43.80 1m5z s ASP 30 CO 0.21 0.03 2.09 0.77 -0.17 0.00 0.00 175.17 178.10 1m5z h SER 31 N 3.40 0.00 -0.03 -0.34 4.64 -1.99 -2.19 113.55 117.03 1m5z h SER 31 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1m5z h SER 31 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1m5z h SER 31 CO 0.48 0.10 -0.02 0.61 -0.87 0.00 0.00 176.83 177.13 1m5z n GLY 32 N -0.71 0.88 3.71 -0.77 0.00 -1.26 -4.94 105.19 102.11 1m5z n GLY 32 Ca -0.02 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.96 4.53 0.03 1.61 -1.94 -0.83 -4.93 119.30 115.82 1m5z s MET 33 Ca 0.27 1.26 0.28 0.00 -1.71 0.00 0.00 55.69 55.80 1m5z s MET 33 Cb 0.19 -3.45 1.15 0.00 2.01 0.00 0.00 34.83 34.73 1m5z s MET 33 CO 0.30 0.01 1.89 0.39 -0.01 0.00 0.00 175.02 177.60 1m5z n GLU 34 N 3.77 0.04 -0.57 2.03 1.02 -1.26 -4.83 120.64 120.83 1m5z n GLU 34 Ca 0.04 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1m5z n GLU 34 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1m5z n GLU 34 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1m5z n ASP 35 N -1.62 0.00 -1.57 1.62 2.03 -1.26 -5.04 116.55 110.71 1m5z n ASP 35 Ca 0.07 -0.48 -0.05 0.00 0.52 0.00 0.00 54.79 54.85 1m5z n ASP 35 Cb 0.35 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.00 1m5z n ASP 35 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1m5z n PHE 36 N 0.00 1.86 -0.38 -0.67 -0.00 -1.26 -4.78 117.46 112.23 1m5z n PHE 36 Ca 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 57.45 56.12 1m5z n PHE 36 Cb 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 39.48 38.89 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1m5z n GLY 37 N -0.63 0.78 3.61 7.13 0.00 -1.26 -3.68 105.19 111.13 1m5z n GLY 37 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.80 -0.27 -0.09 1.61 -0.12 -1.26 0.11 117.98 115.16 1m5z s PHE 38 Ca 0.00 0.51 -0.01 0.00 -0.05 0.00 0.00 56.93 57.38 1m5z s PHE 38 Cb 0.00 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1m5z s PHE 38 CO 0.00 -0.22 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.38 1m5z s SER 39 N -0.80 4.89 0.27 1.98 1.04 0.18 -4.96 113.70 116.31 1m5z s SER 39 Ca 0.03 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.51 1m5z s SER 39 Cb -0.02 -1.41 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 1m5z s SER 39 CO -0.04 0.32 0.41 0.68 0.98 0.00 0.00 173.24 175.60 1m5z s VAL 40 N -0.57 4.98 0.37 5.02 -7.23 -1.26 0.13 120.40 121.85 1m5z s VAL 40 Ca 0.09 -0.92 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1m5z s VAL 40 Cb -0.12 -3.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.00 1m5z s VAL 40 CO 0.02 -0.32 0.04 0.00 -0.31 0.00 0.00 175.10 174.53 1m5z s ALA 41 N -2.07 2.77 0.11 1.32 0.00 0.21 -4.69 121.76 119.41 1m5z s ALA 41 Ca 0.37 -1.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.08 1m5z s ALA 41 Cb -0.09 0.48 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 1m5z s ALA 41 CO 0.30 -0.23 0.87 0.34 0.00 0.00 0.00 175.76 177.04 1m5z s ASP 42 N -3.59 7.42 -0.44 0.00 2.15 -1.26 -2.55 116.67 118.39 1m5z s ASP 42 Ca 0.33 1.69 -0.10 0.00 0.43 0.00 0.00 52.55 54.90 1m5z s ASP 42 Cb 0.08 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 1m5z s ASP 42 CO 0.15 0.03 0.29 -0.83 -0.17 0.00 0.00 175.17 174.64 1m5z s GLY 43 N -0.32 1.99 -0.08 2.66 0.00 0.26 -4.89 107.32 106.94 1m5z s GLY 43 Ca 0.42 -2.26 0.16 0.00 0.00 0.00 0.00 44.72 43.03 1m5z s GLY 43 CO 0.28 1.02 0.46 1.04 0.00 0.00 0.00 173.10 175.89 1m5z n LEU 44 N 4.93 0.50 -0.08 0.66 7.99 -1.26 -1.50 117.00 128.25 1m5z n LEU 44 Ca -0.10 0.24 0.14 0.00 -0.01 0.00 0.00 56.01 56.28 1m5z n LEU 44 Cb 0.42 0.27 0.61 0.00 -0.11 0.00 0.00 43.42 44.61 1m5z n LEU 44 CO 0.41 0.37 0.88 0.18 -1.51 0.00 0.00 177.39 177.71 1m5z n LEU 45 N -2.87 0.36 -1.05 2.23 4.77 -1.26 -3.99 117.00 115.19 1m5z n LEU 45 Ca -0.21 0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 1m5z n LEU 45 Cb 1.03 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1m5z n LEU 45 CO 0.44 0.07 0.25 -0.62 -1.33 0.00 0.00 177.39 176.20 1m5z n GLU 46 N -1.08 0.00 -1.45 3.23 1.02 -1.26 -5.09 120.64 116.01 1m5z n GLU 46 Ca 0.13 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 1m5z n GLU 46 Cb 0.28 0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1m5z n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5z n LYS 47 N 0.14 -0.14 -1.12 3.49 5.02 -0.59 -4.86 118.16 120.10 1m5z n LYS 47 Ca -0.13 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1m5z n LYS 47 Cb 0.80 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m5z n GLY 48 N 0.88 -0.60 3.09 0.72 0.00 -0.56 -4.26 105.19 104.47 1m5z n GLY 48 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.68 -0.00 0.07 1.61 1.01 -1.24 0.92 120.40 119.07 1m5z s VAL 49 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1m5z s VAL 49 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1m5z s VAL 49 CO 0.00 0.01 -0.06 -0.31 0.00 0.00 0.00 175.10 174.74 1m5z s TYR 50 N 0.23 0.71 -0.12 5.22 2.02 -1.06 -2.56 117.35 121.79 1m5z s TYR 50 Ca -0.01 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 55.61 1m5z s TYR 50 Cb -0.02 -0.43 -0.05 0.00 -0.40 0.00 0.00 41.96 41.06 1m5z s TYR 50 CO -0.01 -0.17 1.66 0.08 -1.57 0.00 0.00 175.55 175.54 1m5z s VAL 51 N -2.82 3.60 -0.00 0.71 1.01 -0.72 0.66 120.40 122.84 1m5z s VAL 51 Ca 0.02 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1m5z s VAL 51 Cb -0.00 -3.52 -0.23 0.00 0.00 0.00 0.00 36.38 32.63 1m5z s VAL 51 CO -0.04 -0.13 0.81 0.50 0.00 0.00 0.00 175.10 176.24 1m5z h LYS 52 N 10.14 0.03 -2.25 2.72 3.64 0.85 -0.61 116.57 131.09 1m5z h LYS 52 Ca -0.37 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 1m5z h LYS 52 Cb 1.17 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.81 1m5z h LYS 52 CO 0.97 0.68 0.06 -0.80 -2.27 0.00 0.00 179.45 178.09 1m5z s ASN 53 N -6.33 -0.57 -0.11 4.20 0.01 -0.93 -4.88 114.94 106.33 1m5z s ASN 53 Ca -0.04 0.73 0.02 0.00 -0.71 0.00 0.00 52.86 52.86 1m5z s ASN 53 Cb 0.08 0.68 0.01 0.00 0.41 0.00 0.00 41.25 42.44 1m5z s ASN 53 CO 0.82 -0.48 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.15 1m5z s ILE 54 N -0.84 1.51 -0.25 0.60 1.01 -1.26 0.52 121.20 122.49 1m5z s ILE 54 Ca -0.09 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1m5z s ILE 54 Cb -0.02 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1m5z s ILE 54 CO 0.07 0.44 1.91 -0.60 0.00 0.00 0.00 174.94 176.76 1m5z s ARG 55 N 0.99 3.42 0.06 2.79 3.52 0.30 -4.91 118.95 125.12 1m5z s ARG 55 Ca -0.06 1.74 -0.32 0.00 -0.13 0.00 0.00 55.73 56.96 1m5z s ARG 55 Cb -0.15 -4.22 -0.11 0.00 -1.56 0.00 0.00 34.95 28.91 1m5z s ARG 55 CO -0.02 -1.76 1.85 -2.30 -0.81 0.00 0.00 175.30 172.27 1m5z n PRO 56 N 8.32 2.62 -1.40 5.12 -0.02 -1.26 -4.02 135.00 144.36 1m5z n PRO 56 Ca 0.24 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1m5z n PRO 56 Cb 0.45 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1m5z n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m5z n ALA 57 N 6.05 -2.80 0.00 3.55 0.00 -1.26 -5.02 120.51 121.03 1m5z n ALA 57 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1m5z n ALA 57 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1m5z n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m5z n GLY 58 N -0.31 -0.59 0.34 0.00 0.00 -1.26 -4.94 105.19 98.44 1m5z n GLY 58 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.38 1m5z n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m5z h PRO 59 N 0.00 0.88 -0.08 1.61 0.11 -1.81 0.52 132.00 133.23 1m5z h PRO 59 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1m5z h PRO 59 Cb 0.00 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 1m5z h PRO 59 CO 0.00 0.59 -0.09 0.78 -0.21 0.00 0.00 178.00 179.06 1m5z h GLY 60 N 0.91 0.22 1.76 -0.55 0.00 -1.70 -0.88 103.07 102.83 1m5z h GLY 60 Ca 0.26 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 1m5z h GLY 60 CO -0.06 0.21 -0.71 -1.80 0.00 0.00 0.00 176.54 174.18 1m5z h ASP 61 N -0.23 0.28 0.49 0.19 1.82 -1.70 -2.03 116.42 115.25 1m5z h ASP 61 Ca 0.01 -0.19 -0.12 0.00 -0.39 0.00 0.00 57.03 56.34 1m5z h ASP 61 Cb 0.62 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1m5z h ASP 61 CO 0.02 0.90 -0.56 -0.07 -1.61 0.00 0.00 179.24 177.92 1m5z h LEU 62 N 0.16 0.09 0.22 2.28 3.38 0.02 -3.21 115.31 118.24 1m5z h LEU 62 Ca -0.02 -0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 1m5z h LEU 62 Cb 1.27 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 42.02 1m5z h LEU 62 CO 0.11 0.63 -1.47 1.23 0.09 0.00 0.00 178.44 179.03 1m5z h GLY 63 N 1.60 0.52 0.00 0.83 0.00 -1.07 -3.49 103.07 101.47 1m5z h GLY 63 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 47.33 45.99 1m5z h GLY 63 CO 0.08 1.17 0.00 0.61 0.00 0.00 0.00 176.54 178.40 1m5z n GLY 64 N 1.69 1.93 3.72 4.60 0.00 -0.79 -4.61 105.19 111.74 1m5z n GLY 64 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1m5z n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m5z s LEU 65 N 0.00 4.42 0.36 0.99 1.02 -1.07 -5.05 118.68 119.35 1m5z s LEU 65 Ca 0.00 1.82 0.05 0.00 0.02 0.00 0.00 54.13 56.02 1m5z s LEU 65 Cb 0.00 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.62 1m5z s LEU 65 CO 0.00 -0.25 0.52 -0.54 0.02 0.00 0.00 176.35 176.10 1m5z s LYS 66 N 0.60 3.10 0.34 1.70 3.01 -1.26 -4.88 119.74 122.36 1m5z s LYS 66 Ca 0.52 -0.89 -0.29 0.00 -1.01 0.00 0.00 55.97 54.30 1m5z s LYS 66 Cb -0.24 -2.76 -0.11 0.00 -1.01 0.00 0.00 37.83 33.71 1m5z s LYS 66 CO 0.30 -0.02 1.45 -1.25 0.51 0.00 0.00 175.35 176.34 1m5z s PRO 67 N -4.26 4.19 0.00 -1.68 0.04 -1.26 -2.48 135.00 129.55 1m5z s PRO 67 Ca 0.46 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1m5z s PRO 67 Cb -0.10 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1m5z s PRO 67 CO 0.33 -0.44 0.00 0.98 0.04 0.00 0.00 177.00 177.91 1m5z n TYR 68 N 0.92 0.00 -1.52 0.56 4.19 -0.24 -4.90 117.16 116.18 1m5z n TYR 68 Ca 0.02 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.08 1m5z n TYR 68 Cb 0.40 -0.05 -0.11 0.00 0.49 0.00 0.00 39.34 40.07 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1m5z n ASP 69 N 0.19 0.71 -4.56 2.98 9.92 -1.04 -4.36 116.55 120.39 1m5z n ASP 69 Ca 0.00 -1.35 -0.35 0.00 -0.53 0.00 0.00 54.79 52.56 1m5z n ASP 69 Cb 0.00 -1.32 -0.04 0.00 -0.64 0.00 0.00 41.12 39.12 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1m5z s ARG 70 N 8.20 2.85 -0.44 -1.24 3.52 -0.75 -1.76 118.95 129.33 1m5z s ARG 70 Ca 0.98 -0.17 -0.34 0.00 -0.13 0.00 0.00 55.73 56.07 1m5z s ARG 70 Cb -0.31 -4.80 -0.12 0.00 -1.56 0.00 0.00 34.95 28.17 1m5z s ARG 70 CO 0.22 -2.81 2.28 1.28 -0.81 0.00 0.00 175.30 175.46 1m5z n LEU 71 N 12.08 1.93 -0.03 -0.88 4.77 -1.06 -1.62 117.00 132.19 1m5z n LEU 71 Ca 0.28 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 1m5z n LEU 71 Cb 0.49 -1.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1m5z n LEU 71 CO 0.66 -0.85 -0.04 -0.07 -1.33 0.00 0.00 177.39 175.76 1m5z h LEU 72 N 13.30 0.00 -7.98 2.23 3.38 -0.02 -3.33 115.31 122.90 1m5z h LEU 72 Ca -0.24 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.35 1m5z h LEU 72 Cb 1.31 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.77 1m5z h LEU 72 CO 1.08 0.26 -0.77 -1.10 0.09 0.00 0.00 178.44 178.00 1m5z s GLN 73 N -1.34 0.69 -0.37 1.13 -0.21 -1.13 0.09 119.66 118.51 1m5z s GLN 73 Ca -0.02 -0.27 -0.06 0.00 0.02 0.00 0.00 55.36 55.03 1m5z s GLN 73 Cb 0.00 -0.66 0.06 0.00 1.00 0.00 0.00 33.01 33.41 1m5z s GLN 73 CO 0.03 0.15 0.16 0.08 -2.12 0.00 0.00 175.29 173.58 1m5z s VAL 74 N -0.07 3.77 0.00 1.09 1.01 -0.70 -0.41 120.40 125.10 1m5z s VAL 74 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1m5z s VAL 74 Cb -0.04 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1m5z s VAL 74 CO -0.00 -0.35 0.00 -3.20 0.00 0.00 0.00 175.10 171.54 1m5z n ASN 75 N 4.79 0.00 0.00 3.32 2.85 0.35 -2.18 115.26 124.39 1m5z n ASN 75 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1m5z n ASN 75 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1m5z n ASN 75 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1m5z n HIS 76 N 0.00 0.00 -2.95 1.20 8.25 -1.26 -5.01 115.22 115.45 1m5z n HIS 76 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1m5z n HIS 76 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1m5z n HIS 76 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1m5z s VAL 77 N 0.00 4.94 -0.01 1.59 0.11 -0.93 -5.01 120.40 121.09 1m5z s VAL 77 Ca 0.00 1.54 -0.30 0.00 -2.93 0.00 0.00 61.98 60.29 1m5z s VAL 77 Cb 0.00 -4.09 -0.06 0.00 -1.53 0.00 0.00 36.38 30.70 1m5z s VAL 77 CO 0.00 0.09 1.47 -0.13 -3.33 0.00 0.00 175.10 173.21 1m5z s ARG 78 N 1.76 4.25 -0.07 1.54 0.52 -1.26 -1.71 118.95 123.97 1m5z s ARG 78 Ca 0.37 2.03 0.22 0.00 -0.52 0.00 0.00 55.73 57.83 1m5z s ARG 78 Cb -0.17 -3.67 0.40 0.00 0.52 0.00 0.00 34.95 32.03 1m5z s ARG 78 CO 0.14 -0.66 1.15 0.25 0.02 0.00 0.00 175.30 176.21 1m5z n THR 79 N 4.88 0.29 0.10 0.02 -2.24 0.11 -4.92 114.28 112.52 1m5z n THR 79 Ca 0.14 -1.33 -0.13 0.00 -2.27 0.00 0.00 64.05 60.46 1m5z n THR 79 Cb 0.43 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1m5z n THR 79 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1m5z h ARG 80 N 1.26 -0.23 -1.01 -0.78 3.08 -0.47 -3.06 114.38 113.16 1m5z h ARG 80 Ca -0.26 0.02 -0.37 0.00 0.07 0.00 0.00 59.98 59.43 1m5z h ARG 80 Cb 1.67 0.05 -0.22 0.00 0.08 0.00 0.00 29.97 31.55 1m5z h ARG 80 CO 0.06 0.07 0.48 -0.25 -1.07 0.00 0.00 179.97 179.26 1m5z n ASP 81 N -5.06 3.66 -4.52 7.04 9.92 -1.26 -4.13 116.55 122.20 1m5z n ASP 81 Ca -0.09 -3.16 -0.29 0.00 -0.53 0.00 0.00 54.79 50.73 1m5z n ASP 81 Cb 0.22 -0.75 0.14 0.00 -0.64 0.00 0.00 41.12 40.08 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1m5z s PHE 82 N -2.36 2.23 0.23 1.24 0.40 -1.16 -4.62 117.98 113.94 1m5z s PHE 82 Ca 0.41 0.47 0.08 0.00 -0.60 0.00 0.00 56.93 57.29 1m5z s PHE 82 Cb 0.34 -3.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 1m5z s PHE 82 CO 0.08 -2.18 0.09 -0.51 0.70 0.00 0.00 175.22 173.40 1m5z s ASP 83 N -4.74 5.06 0.28 1.36 1.11 -1.26 -3.72 116.67 114.77 1m5z s ASP 83 Ca 0.68 -0.39 0.02 0.00 0.18 0.00 0.00 52.55 53.04 1m5z s ASP 83 Cb -0.07 -1.15 0.63 0.00 1.07 0.00 0.00 42.92 43.39 1m5z s ASP 83 CO 0.50 0.01 1.76 0.00 1.18 0.00 0.00 175.17 178.62 1m5z n LEU 86 N -3.39 1.35 0.08 0.00 4.32 0.19 -4.13 117.00 115.42 1m5z n LEU 86 Ca -0.02 0.23 -0.15 0.00 -0.02 0.00 0.00 56.01 56.05 1m5z n LEU 86 Cb 0.17 -0.19 -0.08 0.00 -1.62 0.00 0.00 43.42 41.70 1m5z n LEU 86 CO 0.26 0.58 0.09 0.58 -1.22 0.00 0.00 177.39 177.68 1m5z h VAL 87 N 0.02 1.41 -0.05 4.08 2.07 -0.09 -2.56 116.25 121.14 1m5z h VAL 87 Ca -0.40 -2.61 0.03 0.00 0.82 0.00 0.00 66.70 64.54 1m5z h VAL 87 Cb 2.05 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 34.37 1m5z h VAL 87 CO 0.06 0.78 -0.16 0.58 0.02 0.00 0.00 177.57 178.84 1m5z h VAL 88 N 0.19 0.60 -0.29 2.57 2.07 -0.67 -0.90 116.25 119.83 1m5z h VAL 88 Ca -0.11 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1m5z h VAL 88 Cb 1.72 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1m5z h VAL 88 CO 0.18 0.00 -0.22 1.55 0.02 0.00 0.00 177.57 179.10 1m5z h PRO 89 N -0.24 0.66 -0.62 1.57 0.13 -1.72 -2.34 132.00 129.45 1m5z h PRO 89 Ca 0.07 -0.32 0.15 0.00 -0.87 0.00 0.00 66.00 65.03 1m5z h PRO 89 Cb 0.33 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 1m5z h PRO 89 CO -0.19 0.92 0.43 -0.07 -0.23 0.00 0.00 178.00 178.86 1m5z h LEU 90 N 0.40 0.15 0.05 1.56 3.38 -1.25 0.20 115.31 119.80 1m5z h LEU 90 Ca 0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1m5z h LEU 90 Cb 0.77 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1m5z h LEU 90 CO 0.06 0.08 -0.35 0.40 0.09 0.00 0.00 178.44 178.72 1m5z h ILE 91 N 0.16 1.63 0.00 1.22 2.04 -1.01 -3.12 117.51 118.43 1m5z h ILE 91 Ca 0.30 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1m5z h ILE 91 Cb 0.94 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1m5z h ILE 91 CO -0.05 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1m5z n ALA 92 N -2.61 2.14 0.55 1.87 0.00 -0.69 -2.56 120.51 119.21 1m5z n ALA 92 Ca -0.11 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.28 1m5z n ALA 92 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1m5z n ALA 92 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1m5z n GLU 93 N -1.20 1.81 0.26 0.00 -0.00 0.61 -4.46 120.64 117.66 1m5z n GLU 93 Ca 0.12 -0.74 0.18 0.00 -0.00 0.00 0.00 57.16 56.71 1m5z n GLU 93 Cb 0.14 -1.16 0.85 0.00 -0.00 0.00 0.00 31.44 31.26 1m5z n GLU 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m5z h SER 94 N 1.49 0.00 0.00 -1.84 4.64 -1.43 -3.48 113.55 112.93 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m5z h SER 94 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1m5z h SER 94 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1m5z n GLY 95 N -0.68 0.48 0.00 -0.77 0.00 -1.26 -4.14 105.19 98.82 1m5z n GLY 95 Ca -0.01 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 0.40 0.00 -3.87 1.61 3.02 -1.26 -4.39 115.26 110.78 1m5z n ASN 96 Ca 0.00 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.73 1m5z n ASN 96 Cb 0.00 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.65 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 -2.82 0.40 -0.36 3.52 1.02 -1.26 -1.21 119.74 119.03 1m5z s LYS 97 Ca 0.14 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1m5z s LYS 97 Cb 0.14 0.17 0.11 0.00 -0.52 0.00 0.00 37.83 37.72 1m5z s LYS 97 CO 0.35 -0.09 0.11 -1.17 -0.92 0.00 0.00 175.35 173.63 1m5z s LEU 98 N -1.04 3.70 -0.29 3.17 0.20 -0.07 -4.63 118.68 119.73 1m5z s LEU 98 Ca -0.11 -2.16 -0.16 0.00 0.69 0.00 0.00 54.13 52.39 1m5z s LEU 98 Cb -0.06 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.34 1m5z s LEU 98 CO 0.01 -0.36 0.41 -1.81 -0.29 0.00 0.00 176.35 174.32 1m5z s ASP 99 N 0.91 6.28 0.23 3.68 1.01 -1.26 -0.10 116.67 127.42 1m5z s ASP 99 Ca 0.12 0.23 -0.11 0.00 0.71 0.00 0.00 52.55 53.49 1m5z s ASP 99 Cb -0.20 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1m5z s ASP 99 CO -0.11 -0.26 0.42 -1.48 0.21 0.00 0.00 175.17 173.95 1m5z s LEU 100 N 2.15 0.46 -0.28 1.23 2.34 0.88 0.13 118.68 125.60 1m5z s LEU 100 Ca 0.16 -0.96 0.02 0.00 0.06 0.00 0.00 54.13 53.41 1m5z s LEU 100 Cb -0.16 1.57 0.06 0.00 -0.56 0.00 0.00 46.19 47.10 1m5z s LEU 100 CO 0.10 -1.08 -0.07 -0.69 -1.06 0.00 0.00 176.35 173.56 1m5z s VAL 101 N -4.02 2.42 0.15 1.48 1.01 0.45 0.94 120.40 122.83 1m5z s VAL 101 Ca 0.23 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.64 1m5z s VAL 101 Cb 0.01 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1m5z s VAL 101 CO 0.08 -0.09 0.21 0.27 0.00 0.00 0.00 175.10 175.57 1m5z s ILE 102 N 1.13 4.95 -0.08 2.22 -5.25 -0.89 0.65 121.20 123.93 1m5z s ILE 102 Ca -0.07 -0.84 0.01 0.00 -0.99 0.00 0.00 60.65 58.76 1m5z s ILE 102 Cb -0.20 -3.53 0.02 0.00 2.95 0.00 0.00 42.46 41.70 1m5z s ILE 102 CO -0.04 -0.08 -0.09 -0.55 -1.79 0.00 0.00 174.94 172.39 1m5z s SER 103 N -3.12 1.80 -0.16 4.36 0.15 -0.64 -0.42 113.70 115.66 1m5z s SER 103 Ca 0.33 -0.27 -0.08 0.00 0.70 0.00 0.00 55.95 56.64 1m5z s SER 103 Cb -0.11 -0.76 0.07 0.00 -1.71 0.00 0.00 66.02 63.51 1m5z s SER 103 CO 0.26 -0.05 0.37 0.00 1.20 0.00 0.00 173.24 175.03 1m5z s ARG 104 N 1.15 0.32 0.29 5.44 1.70 -0.12 -1.80 118.95 125.93 1m5z s ARG 104 Ca -0.06 0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 55.72 1m5z s ARG 104 Cb -0.14 0.05 -0.10 0.00 -0.57 0.00 0.00 34.95 34.19 1m5z s ARG 104 CO -0.02 -0.20 1.12 0.54 -1.08 0.00 0.00 175.30 175.67 1m5z s ASN 105 N 1.82 7.20 0.00 -2.89 4.22 -1.26 -2.07 114.94 121.95 1m5z s ASN 105 Ca -0.06 2.32 0.25 0.00 -2.14 0.00 0.00 52.86 53.23 1m5z s ASN 105 Cb -0.10 -2.63 1.52 0.00 1.28 0.00 0.00 41.25 41.32 1m5z s ASN 105 CO -0.12 -0.19 1.88 -0.81 -2.04 0.00 0.00 177.10 175.81