#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z h PRO 17 N 0.00 -0.14 0.00 -1.46 0.11 -2.01 -3.48 132.00 125.01 1m5z h PRO 17 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1m5z h PRO 17 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1m5z h PRO 17 CO 0.00 -0.10 0.00 2.41 -0.21 0.00 0.00 178.00 180.10 1m5z n THR 18 N -2.62 0.00 -1.68 -1.15 -1.04 -1.26 -5.08 114.28 101.45 1m5z n THR 18 Ca -0.02 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.54 1m5z n THR 18 Cb 0.06 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 1m5z n THR 18 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1m5z n PRO 19 N -2.78 2.38 -1.45 -2.82 -0.04 -1.26 -4.63 135.00 124.40 1m5z n PRO 19 Ca 0.00 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 1m5z n PRO 19 Cb 0.00 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 1m5z n PRO 19 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1m5z n VAL 20 N 4.18 1.75 -3.99 0.52 0.24 -1.26 -4.75 118.33 115.02 1m5z n VAL 20 Ca 0.18 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.63 1m5z n VAL 20 Cb 0.32 -0.52 -0.12 0.00 -1.47 0.00 0.00 33.84 32.05 1m5z n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1m5z s GLU 21 N -1.50 3.70 0.14 7.34 -1.05 -0.16 -4.72 118.70 122.45 1m5z s GLU 21 Ca 0.63 -0.47 0.04 0.00 -0.15 0.00 0.00 54.97 55.01 1m5z s GLU 21 Cb -0.64 -3.17 -0.04 0.00 -0.44 0.00 0.00 34.13 29.84 1m5z s GLU 21 CO 0.58 0.01 0.13 -0.48 0.95 0.00 0.00 175.26 176.46 1m5z s LEU 22 N 1.04 3.86 0.05 1.83 0.05 -1.25 -2.25 118.68 122.00 1m5z s LEU 22 Ca 0.03 -0.07 -0.08 0.00 0.05 0.00 0.00 54.13 54.06 1m5z s LEU 22 Cb -0.14 -2.48 -0.00 0.00 -2.05 0.00 0.00 46.19 41.51 1m5z s LEU 22 CO 0.02 0.10 0.16 -1.00 -0.55 0.00 0.00 176.35 175.08 1m5z s HIS 23 N -1.65 0.13 -0.45 3.48 0.09 -0.21 -4.96 115.29 111.72 1m5z s HIS 23 Ca 0.31 -0.44 -0.26 0.00 -0.00 0.00 0.00 55.06 54.67 1m5z s HIS 23 Cb -0.11 -0.08 0.03 0.00 -0.00 0.00 0.00 32.58 32.42 1m5z s HIS 23 CO 0.23 -0.44 0.96 0.21 -0.00 0.00 0.00 174.74 175.70 1m5z s LYS 24 N -2.98 3.60 0.04 1.40 2.20 -1.26 -2.05 119.74 120.69 1m5z s LYS 24 Ca -0.02 0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.92 1m5z s LYS 24 Cb 0.01 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1m5z s LYS 24 CO -0.06 -1.21 -0.08 0.14 -0.36 0.00 0.00 175.35 173.78 1m5z s VAL 25 N 3.82 3.52 -0.23 4.02 -7.23 0.10 -4.98 120.40 119.43 1m5z s VAL 25 Ca 0.39 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1m5z s VAL 25 Cb -0.10 -2.57 0.07 0.00 0.56 0.00 0.00 36.38 34.35 1m5z s VAL 25 CO 0.26 0.30 0.06 -0.89 -0.31 0.00 0.00 175.10 174.52 1m5z s THR 26 N -1.07 0.58 0.63 5.32 2.01 -1.25 0.02 115.64 121.88 1m5z s THR 26 Ca 0.19 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1m5z s THR 26 Cb -0.11 -1.20 0.08 0.00 0.01 0.00 0.00 72.50 71.28 1m5z s THR 26 CO 0.10 -0.37 0.88 -0.76 -0.69 0.00 0.00 174.62 173.78 1m5z s LEU 27 N 1.81 3.12 0.00 4.42 1.02 0.82 -4.57 118.68 125.29 1m5z s LEU 27 Ca 0.02 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 53.92 1m5z s LEU 27 Cb -0.17 -2.29 -0.01 0.00 0.02 0.00 0.00 46.19 43.74 1m5z s LEU 27 CO -0.15 -1.51 -0.10 -0.31 0.02 0.00 0.00 176.35 174.30 1m5z s TYR 28 N -2.93 0.92 0.32 0.29 2.02 -1.26 -1.08 117.35 115.62 1m5z s TYR 28 Ca 0.62 -0.21 0.10 0.00 -0.37 0.00 0.00 57.07 57.20 1m5z s TYR 28 Cb -0.07 -0.58 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1m5z s TYR 28 CO 0.41 -0.01 -0.03 0.21 -1.57 0.00 0.00 175.55 174.56 1m5z s LYS 29 N -0.44 2.05 -0.02 -0.62 2.20 -0.97 -4.74 119.74 117.19 1m5z s LYS 29 Ca 0.03 -1.70 0.07 0.00 -0.36 0.00 0.00 55.97 54.01 1m5z s LYS 29 Cb -0.05 -1.94 -0.02 0.00 -1.51 0.00 0.00 37.83 34.32 1m5z s LYS 29 CO -0.00 0.21 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.45 1m5z s ASP 30 N -3.67 2.79 -0.98 1.43 1.11 -1.26 -4.65 116.67 111.43 1m5z s ASP 30 Ca 0.33 -0.43 -0.26 0.00 0.18 0.00 0.00 52.55 52.37 1m5z s ASP 30 Cb -0.02 -0.31 -0.18 0.00 1.07 0.00 0.00 42.92 43.49 1m5z s ASP 30 CO 0.19 0.29 2.19 -0.94 1.18 0.00 0.00 175.17 178.08 1m5z s SER 31 N -0.58 3.80 0.00 0.27 1.04 -1.26 -1.17 113.70 115.80 1m5z s SER 31 Ca 0.09 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1m5z s SER 31 Cb -0.09 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1m5z s SER 31 CO -0.01 -4.23 0.00 0.61 0.98 0.00 0.00 173.24 170.59 1m5z n GLY 32 N 6.39 1.59 3.90 7.32 0.00 -1.26 -5.14 105.19 117.99 1m5z n GLY 32 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1m5z n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1m5z s MET 33 N 0.00 2.37 0.02 1.61 0.00 -0.32 -5.00 119.30 117.98 1m5z s MET 33 Ca 0.00 0.12 0.22 0.00 0.00 0.00 0.00 55.69 56.03 1m5z s MET 33 Cb 0.00 -2.05 -0.22 0.00 0.00 0.00 0.00 34.83 32.56 1m5z s MET 33 CO 0.00 -1.27 0.69 -1.91 0.00 0.00 0.00 175.02 172.53 1m5z n GLU 34 N -3.07 0.54 -1.46 4.11 2.13 -1.26 -5.02 120.64 116.61 1m5z n GLU 34 Ca 0.07 -0.10 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 1m5z n GLU 34 Cb 0.59 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.73 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1m5z n ASP 35 N -2.22 -0.27 -1.08 4.31 8.00 -1.26 -5.04 116.55 118.98 1m5z n ASP 35 Ca -0.02 -1.21 0.08 0.00 0.71 0.00 0.00 54.79 54.35 1m5z n ASP 35 Cb 0.53 0.45 0.28 0.00 -0.02 0.00 0.00 41.12 42.36 1m5z n ASP 35 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1m5z n PHE 36 N -0.07 1.14 0.00 1.24 -0.00 -1.26 -4.81 117.46 113.70 1m5z n PHE 36 Ca -0.01 -0.82 0.00 0.00 -0.00 0.00 0.00 57.45 56.62 1m5z n PHE 36 Cb 0.08 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 39.22 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 -0.19 0.64 3.62 7.13 0.00 -1.26 -3.87 105.19 111.27 1m5z n GLY 37 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 -0.26 -0.10 1.61 -0.12 -1.26 0.23 117.98 116.08 1m5z s PHE 38 Ca 0.00 0.55 -0.09 0.00 -0.05 0.00 0.00 56.93 57.33 1m5z s PHE 38 Cb 0.00 0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1m5z s PHE 38 CO 0.00 -0.18 0.21 -1.12 -0.05 0.00 0.00 175.22 174.08 1m5z s SER 39 N -0.47 6.48 0.56 1.98 0.01 0.23 -4.95 113.70 117.54 1m5z s SER 39 Ca 0.04 0.57 0.02 0.00 1.31 0.00 0.00 55.95 57.88 1m5z s SER 39 Cb -0.03 -2.12 0.04 0.00 0.21 0.00 0.00 66.02 64.12 1m5z s SER 39 CO -0.06 0.35 0.79 0.68 0.41 0.00 0.00 173.24 175.40 1m5z s VAL 40 N -0.82 2.61 0.35 3.43 -7.23 -1.26 0.16 120.40 117.64 1m5z s VAL 40 Ca 0.17 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1m5z s VAL 40 Cb -0.13 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1m5z s VAL 40 CO 0.06 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.06 1m5z s ALA 41 N -2.78 2.21 -0.18 1.32 0.00 0.32 -4.48 121.76 118.17 1m5z s ALA 41 Ca 0.58 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1m5z s ALA 41 Cb -0.10 1.21 -0.05 0.00 0.00 0.00 0.00 23.12 24.18 1m5z s ALA 41 CO 0.39 -0.54 0.15 -0.51 0.00 0.00 0.00 175.76 175.25 1m5z s ASP 42 N -3.45 6.26 -0.39 0.00 1.11 -1.26 -3.11 116.67 115.83 1m5z s ASP 42 Ca 0.34 0.29 -0.11 0.00 0.18 0.00 0.00 52.55 53.25 1m5z s ASP 42 Cb 0.03 -2.10 0.04 0.00 1.07 0.00 0.00 42.92 41.96 1m5z s ASP 42 CO 0.22 0.20 0.24 -0.83 1.18 0.00 0.00 175.17 176.18 1m5z s GLY 43 N 0.19 1.95 -0.01 0.21 0.00 -0.35 -4.91 107.32 104.41 1m5z s GLY 43 Ca 0.10 -1.81 0.19 0.00 0.00 0.00 0.00 44.72 43.19 1m5z s GLY 43 CO -0.01 0.89 0.59 1.04 0.00 0.00 0.00 173.10 175.61 1m5z n LEU 44 N 5.02 0.48 -0.05 0.66 7.99 -1.26 -1.52 117.00 128.32 1m5z n LEU 44 Ca -0.11 0.21 0.14 0.00 -0.01 0.00 0.00 56.01 56.23 1m5z n LEU 44 Cb 0.45 0.15 0.56 0.00 -0.11 0.00 0.00 43.42 44.47 1m5z n LEU 44 CO 0.38 0.17 0.83 -0.11 -1.51 0.00 0.00 177.39 177.15 1m5z n LEU 45 N -2.71 0.30 -0.85 2.23 -0.00 -1.26 -4.07 117.00 110.64 1m5z n LEU 45 Ca -0.13 0.17 -0.02 0.00 -0.00 0.00 0.00 56.01 56.03 1m5z n LEU 45 Cb 0.84 -0.30 -0.02 0.00 -0.00 0.00 0.00 43.42 43.94 1m5z n LEU 45 CO 0.43 0.06 0.25 -0.62 -0.00 0.00 0.00 177.39 177.52 1m5z n GLU 46 N -1.25 0.00 -1.89 1.96 1.02 -1.26 -5.07 120.64 114.15 1m5z n GLU 46 Ca 0.11 -0.86 -0.13 0.00 -0.02 0.00 0.00 57.16 56.25 1m5z n GLU 46 Cb 0.30 0.09 0.01 0.00 -0.02 0.00 0.00 31.44 31.83 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 0.09 -0.66 0.00 3.49 4.76 -0.58 -4.88 118.16 120.39 1m5z n LYS 47 Ca -0.09 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1m5z n LYS 47 Cb 0.72 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 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 0.01 1.95 2.83 0.72 0.00 -0.91 -4.38 105.19 105.41 1m5z n GLY 48 Ca -0.03 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.95 0.19 0.35 1.61 1.01 -1.22 -1.21 120.40 119.19 1m5z s VAL 49 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1m5z s VAL 49 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1m5z s VAL 49 CO 0.00 0.14 0.08 -0.31 0.00 0.00 0.00 175.10 175.00 1m5z s TYR 50 N 0.86 1.90 -0.20 5.22 2.02 -1.18 -2.57 117.35 123.40 1m5z s TYR 50 Ca -0.09 -1.05 -0.19 0.00 -0.37 0.00 0.00 57.07 55.37 1m5z s TYR 50 Cb -0.12 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1m5z s TYR 50 CO -0.01 -0.08 0.56 0.08 -1.57 0.00 0.00 175.55 174.53 1m5z s VAL 51 N -3.28 5.07 0.00 0.71 1.01 -1.25 0.12 120.40 122.78 1m5z s VAL 51 Ca 0.32 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1m5z s VAL 51 Cb 0.07 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.34 1m5z s VAL 51 CO 0.15 0.15 0.84 0.07 0.00 0.00 0.00 175.10 176.30 1m5z h LYS 52 N 7.50 0.03 -1.91 2.72 2.10 0.13 -2.40 116.57 124.73 1m5z h LYS 52 Ca -0.33 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.26 1m5z h LYS 52 Cb 1.15 0.02 -0.21 0.00 -0.90 0.00 0.00 32.23 32.29 1m5z h LYS 52 CO 0.75 0.70 0.23 -0.80 -2.00 0.00 0.00 179.45 178.33 1m5z s ASN 53 N -6.35 -0.64 -0.04 7.07 0.01 -0.98 -4.95 114.94 109.06 1m5z s ASN 53 Ca -0.04 1.00 0.04 0.00 -0.71 0.00 0.00 52.86 53.15 1m5z s ASN 53 Cb 0.08 0.93 -0.00 0.00 0.41 0.00 0.00 41.25 42.66 1m5z s ASN 53 CO 0.82 -0.39 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.22 1m5z s ILE 54 N -0.40 1.42 0.44 0.60 1.01 -1.26 0.75 121.20 123.76 1m5z s ILE 54 Ca -0.04 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.64 1m5z s ILE 54 Cb -0.03 -1.22 -0.08 0.00 0.01 0.00 0.00 42.46 41.15 1m5z s ILE 54 CO 0.04 0.41 1.29 -0.13 0.00 0.00 0.00 174.94 176.55 1m5z s ARG 55 N -0.01 3.79 0.36 2.79 0.52 0.14 -4.94 118.95 121.59 1m5z s ARG 55 Ca -0.03 2.12 -0.26 0.00 -0.52 0.00 0.00 55.73 57.04 1m5z s ARG 55 Cb -0.11 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 1m5z s ARG 55 CO 0.02 -0.63 1.11 -1.25 0.02 0.00 0.00 175.30 174.57 1m5z s PRO 56 N -2.43 4.29 -0.70 3.54 0.04 -1.26 -3.51 135.00 134.97 1m5z s PRO 56 Ca 0.60 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 1m5z s PRO 56 Cb -0.37 -2.81 0.09 0.00 0.04 0.00 0.00 34.50 31.44 1m5z s PRO 56 CO 0.47 -0.09 0.22 0.00 0.04 0.00 0.00 177.00 177.64 1m5z n ALA 57 N 0.41 -1.06 -2.68 8.56 0.00 -1.26 -4.87 120.51 119.62 1m5z n ALA 57 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1m5z n ALA 57 Cb 0.47 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.70 5.80 0.28 0.00 0.00 -1.23 -4.83 105.19 104.52 1m5z n GLY 58 Ca 0.04 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.32 -0.26 1.61 0.11 -1.85 0.56 132.00 131.85 1m5z h PRO 59 Ca 0.00 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1m5z h PRO 59 Cb 0.00 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1m5z h PRO 59 CO 0.00 -0.21 -0.12 0.78 -0.21 0.00 0.00 178.00 178.24 1m5z h GLY 60 N -0.33 0.46 1.79 -0.55 0.00 -1.67 -0.61 103.07 102.15 1m5z h GLY 60 Ca 0.10 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 1m5z h GLY 60 CO -0.30 0.29 -0.71 -1.80 0.00 0.00 0.00 176.54 174.01 1m5z h ASP 61 N 0.40 0.25 0.45 0.19 1.82 -1.47 -2.44 116.42 115.62 1m5z h ASP 61 Ca 0.08 -0.17 -0.20 0.00 -0.39 0.00 0.00 57.03 56.36 1m5z h ASP 61 Cb 0.46 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1m5z h ASP 61 CO 0.03 0.88 -0.83 -0.07 -1.61 0.00 0.00 179.24 177.63 1m5z h LEU 62 N 0.14 0.35 0.19 2.28 3.38 0.50 -3.33 115.31 118.83 1m5z h LEU 62 Ca -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1m5z h LEU 62 Cb 1.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1m5z h LEU 62 CO 0.11 1.04 -0.09 1.23 0.09 0.00 0.00 178.44 180.82 1m5z h GLY 63 N 1.58 -0.27 0.00 0.83 0.00 -1.07 -3.49 103.07 100.65 1m5z h GLY 63 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1m5z h GLY 63 CO 0.13 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1m5z n GLY 64 N 0.28 1.68 3.59 4.60 0.00 -0.93 -4.74 105.19 109.67 1m5z n GLY 64 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 4.13 0.59 0.99 1.02 -1.17 -5.04 118.68 119.21 1m5z s LEU 65 Ca 0.00 0.44 -0.10 0.00 0.02 0.00 0.00 54.13 54.49 1m5z s LEU 65 Cb 0.00 -2.98 -0.04 0.00 0.02 0.00 0.00 46.19 43.19 1m5z s LEU 65 CO 0.00 -0.64 0.98 -0.54 0.02 0.00 0.00 176.35 176.18 1m5z s LYS 66 N 2.93 3.60 0.21 1.70 3.01 -1.26 -4.90 119.74 125.03 1m5z s LYS 66 Ca 0.30 0.65 -0.32 0.00 -1.01 0.00 0.00 55.97 55.59 1m5z s LYS 66 Cb -0.14 -2.14 -0.13 0.00 -1.01 0.00 0.00 37.83 34.41 1m5z s LYS 66 CO 0.14 -0.49 1.53 -0.35 0.51 0.00 0.00 175.35 176.69 1m5z n PRO 67 N -2.63 2.24 -0.79 -1.68 -0.04 -1.26 -1.45 135.00 129.39 1m5z n PRO 67 Ca 0.05 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1m5z n PRO 67 Cb 0.54 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1m5z n PRO 67 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m5z n TYR 68 N 2.70 0.00 -1.51 0.54 9.36 -0.90 -4.90 117.16 122.45 1m5z n TYR 68 Ca 0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.21 1m5z n TYR 68 Cb 0.31 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.92 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1m5z n ASP 69 N 0.00 0.78 -4.60 2.98 5.75 -0.53 -4.41 116.55 116.53 1m5z n ASP 69 Ca 0.00 -1.46 -0.43 0.00 -0.01 0.00 0.00 54.79 52.89 1m5z n ASP 69 Cb 0.00 -1.37 -0.03 0.00 -1.03 0.00 0.00 41.12 38.69 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 8.20 3.28 -0.03 0.11 3.52 0.29 -3.82 118.95 130.51 1m5z s ARG 70 Ca 0.93 1.49 -0.31 0.00 -0.13 0.00 0.00 55.73 57.71 1m5z s ARG 70 Cb -0.26 -4.23 -0.09 0.00 -1.56 0.00 0.00 34.95 28.81 1m5z s ARG 70 CO 0.20 -1.92 2.00 1.28 -0.81 0.00 0.00 175.30 176.05 1m5z n LEU 71 N 10.56 3.85 -0.03 -0.88 4.32 -1.06 -0.23 117.00 133.53 1m5z n LEU 71 Ca 0.24 0.80 -0.01 0.00 -0.02 0.00 0.00 56.01 57.02 1m5z n LEU 71 Cb 0.47 -1.50 -0.00 0.00 -1.62 0.00 0.00 43.42 40.77 1m5z n LEU 71 CO 0.68 -0.00 -0.05 -0.07 -1.22 0.00 0.00 177.39 176.74 1m5z h LEU 72 N 11.07 0.00 -7.82 2.23 3.38 0.96 -3.32 115.31 121.81 1m5z h LEU 72 Ca -0.48 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.03 1m5z h LEU 72 Cb 1.25 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.66 1m5z h LEU 72 CO 0.95 0.27 -0.79 0.00 0.09 0.00 0.00 178.44 178.96 1m5z s GLN 73 N -1.36 1.23 -0.11 1.13 -2.07 -1.17 0.13 119.66 117.45 1m5z s GLN 73 Ca -0.02 -0.23 -0.02 0.00 -1.82 0.00 0.00 55.36 53.27 1m5z s GLN 73 Cb 0.00 -1.14 -0.03 0.00 -1.09 0.00 0.00 33.01 30.75 1m5z s GLN 73 CO 0.03 -0.07 -0.03 0.08 -1.32 0.00 0.00 175.29 173.99 1m5z s VAL 74 N 0.94 4.05 -1.06 3.63 1.01 0.13 -1.94 120.40 127.16 1m5z s VAL 74 Ca -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1m5z s VAL 74 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1m5z s VAL 74 CO 0.01 0.56 0.18 0.59 0.00 0.00 0.00 175.10 176.44 1m5z n ASN 75 N 2.67 -3.65 0.00 3.32 5.03 -0.49 0.82 115.26 122.95 1m5z n ASN 75 Ca -0.18 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.28 1m5z n ASN 75 Cb 0.53 -3.08 0.00 0.00 -1.02 0.00 0.00 39.78 36.21 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1m5z n HIS 76 N -3.53 0.00 -2.94 3.10 -0.00 -1.26 -5.02 115.22 105.57 1m5z n HIS 76 Ca -0.09 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.69 1m5z n HIS 76 Cb 0.58 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.39 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1m5z s VAL 77 N -2.17 4.53 0.02 3.57 1.01 0.24 -5.01 120.40 122.59 1m5z s VAL 77 Ca 0.00 1.73 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1m5z s VAL 77 Cb 0.00 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1m5z s VAL 77 CO 0.00 0.43 1.45 -0.13 0.00 0.00 0.00 175.10 176.85 1m5z s ARG 78 N -0.53 4.27 -0.06 2.72 1.81 -1.26 0.22 118.95 126.12 1m5z s ARG 78 Ca 0.38 2.04 0.20 0.00 -1.72 0.00 0.00 55.73 56.64 1m5z s ARG 78 Cb -0.22 -3.56 0.36 0.00 -0.45 0.00 0.00 34.95 31.08 1m5z s ARG 78 CO 0.25 -0.60 1.15 0.25 -0.68 0.00 0.00 175.30 175.67 1m5z n THR 79 N 4.64 0.20 0.09 0.02 -2.24 0.29 -4.87 114.28 112.42 1m5z n THR 79 Ca 0.14 -1.12 -0.13 0.00 -2.27 0.00 0.00 64.05 60.67 1m5z n THR 79 Cb 0.43 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.07 -0.20 -0.96 -0.78 3.08 0.93 -2.99 114.38 114.54 1m5z h ARG 80 Ca -0.29 0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.45 1m5z h ARG 80 Cb 1.69 0.04 -0.19 0.00 0.08 0.00 0.00 29.97 31.59 1m5z h ARG 80 CO 0.03 0.08 0.41 -3.47 -1.07 0.00 0.00 179.97 175.95 1m5z n ASP 81 N -5.06 3.69 -4.90 7.04 -0.08 -1.26 -4.28 116.55 111.70 1m5z n ASP 81 Ca -0.09 -3.11 -0.29 0.00 -1.51 0.00 0.00 54.79 49.79 1m5z n ASP 81 Cb 0.20 -0.73 0.07 0.00 2.34 0.00 0.00 41.12 42.99 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1m5z s PHE 82 N -2.41 3.11 0.28 -0.67 0.40 -1.13 -4.69 117.98 112.87 1m5z s PHE 82 Ca 0.42 0.84 0.08 0.00 -0.60 0.00 0.00 56.93 57.66 1m5z s PHE 82 Cb 0.35 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1m5z s PHE 82 CO 0.09 -1.46 0.17 -0.51 0.70 0.00 0.00 175.22 174.21 1m5z s ASP 83 N -4.47 5.21 0.29 1.36 1.01 -1.26 -3.38 116.67 115.42 1m5z s ASP 83 Ca 0.60 -0.43 0.04 0.00 0.71 0.00 0.00 52.55 53.47 1m5z s ASP 83 Cb -0.11 -1.14 0.67 0.00 1.01 0.00 0.00 42.92 43.34 1m5z s ASP 83 CO 0.50 -0.12 1.78 0.00 0.21 0.00 0.00 175.17 177.53 1m5z n LEU 86 N -3.47 0.99 0.10 0.00 4.32 0.18 -4.12 117.00 115.00 1m5z n LEU 86 Ca -0.02 0.21 -0.16 0.00 -0.02 0.00 0.00 56.01 56.02 1m5z n LEU 86 Cb 0.17 0.02 -0.11 0.00 -1.62 0.00 0.00 43.42 41.88 1m5z n LEU 86 CO 0.26 0.53 0.02 0.58 -1.22 0.00 0.00 177.39 177.56 1m5z h VAL 87 N 0.01 1.44 -0.02 4.08 2.07 -0.11 -2.68 116.25 121.03 1m5z h VAL 87 Ca -0.41 -2.79 0.02 0.00 0.82 0.00 0.00 66.70 64.34 1m5z h VAL 87 Cb 2.08 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 34.59 1m5z h VAL 87 CO 0.05 0.82 -0.09 0.58 0.02 0.00 0.00 177.57 178.95 1m5z h VAL 88 N 0.14 0.76 -0.10 2.57 2.07 -0.58 0.62 116.25 121.73 1m5z h VAL 88 Ca -0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1m5z h VAL 88 Cb 1.85 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1m5z h VAL 88 CO 0.20 0.00 -0.01 -0.65 0.02 0.00 0.00 177.57 177.13 1m5z h PRO 89 N -0.15 0.17 -0.40 1.57 0.11 -1.72 -2.15 132.00 129.43 1m5z h PRO 89 Ca 0.04 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.21 1m5z h PRO 89 Cb 0.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1m5z h PRO 89 CO -0.11 0.45 0.34 -0.07 -0.21 0.00 0.00 178.00 178.41 1m5z h LEU 90 N -0.12 0.00 -0.00 2.35 3.38 -1.35 0.20 115.31 119.77 1m5z h LEU 90 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1m5z h LEU 90 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1m5z h LEU 90 CO 0.01 0.00 -0.20 0.40 0.09 0.00 0.00 178.44 178.74 1m5z h ILE 91 N 0.00 1.57 0.00 1.22 2.04 -0.54 -3.24 117.51 118.56 1m5z h ILE 91 Ca 0.19 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1m5z h ILE 91 Cb 0.87 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1m5z h ILE 91 CO -0.00 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.67 1m5z n ALA 92 N -2.53 2.47 0.87 1.87 0.00 -0.53 -3.12 120.51 119.55 1m5z n ALA 92 Ca -0.10 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1m5z n ALA 92 Cb 0.48 -1.46 0.22 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.15 0.08 0.24 0.00 1.02 0.59 -3.93 120.64 117.49 1m5z n GLU 93 Ca 0.17 0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1m5z n GLU 93 Cb 0.16 -1.55 0.62 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.64 -3.47 113.55 110.08 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 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 1m5z n GLY 95 N -0.78 2.14 0.41 -3.77 0.00 -1.25 -3.85 105.19 98.10 1m5z n GLY 95 Ca -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 1m5z n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m5z n ASN 96 N 3.43 -0.03 -3.26 1.61 0.23 -1.26 -4.67 115.26 111.31 1m5z n ASN 96 Ca 0.00 -0.82 0.03 0.00 -0.53 0.00 0.00 54.58 53.26 1m5z n ASN 96 Cb 0.00 0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 37.69 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1m5z s LYS 97 N 0.00 0.41 -0.43 -3.83 2.20 -1.25 -2.29 119.74 114.55 1m5z s LYS 97 Ca 0.00 0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 56.37 1m5z s LYS 97 Cb 0.00 0.47 0.10 0.00 -1.51 0.00 0.00 37.83 36.89 1m5z s LYS 97 CO 0.00 -0.36 0.26 -0.51 -0.36 0.00 0.00 175.35 174.38 1m5z s LEU 98 N 2.82 5.29 -0.30 5.43 1.43 -0.24 -4.70 118.68 128.40 1m5z s LEU 98 Ca 0.07 -1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 51.25 1m5z s LEU 98 Cb -0.12 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1m5z s LEU 98 CO -0.17 -0.58 0.32 -0.62 0.23 0.00 0.00 176.35 175.54 1m5z s ASP 99 N 2.17 6.17 0.11 2.29 -1.08 -1.26 -0.13 116.67 124.94 1m5z s ASP 99 Ca 0.05 0.01 -0.15 0.00 -0.52 0.00 0.00 52.55 51.93 1m5z s ASP 99 Cb -0.24 -2.18 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 1m5z s ASP 99 CO -0.01 -0.21 0.37 -1.48 0.52 0.00 0.00 175.17 174.36 1m5z s LEU 100 N 1.97 0.54 -0.37 -1.34 0.05 0.10 -1.40 118.68 118.23 1m5z s LEU 100 Ca 0.12 -0.31 -0.10 0.00 0.05 0.00 0.00 54.13 53.89 1m5z s LEU 100 Cb -0.16 1.71 0.04 0.00 -2.05 0.00 0.00 46.19 45.73 1m5z s LEU 100 CO 0.11 -0.81 0.19 -0.69 -0.55 0.00 0.00 176.35 174.60 1m5z s VAL 101 N -3.60 4.33 0.28 1.48 1.01 -0.82 0.03 120.40 123.12 1m5z s VAL 101 Ca 0.02 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1m5z s VAL 101 Cb 0.02 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1m5z s VAL 101 CO -0.10 -0.26 0.38 0.27 0.00 0.00 0.00 175.10 175.39 1m5z s ILE 102 N 1.50 4.63 -0.10 2.22 -5.25 -0.87 0.14 121.20 123.47 1m5z s ILE 102 Ca 0.01 -1.05 -0.05 0.00 -0.99 0.00 0.00 60.65 58.57 1m5z s ILE 102 Cb -0.20 -3.61 0.05 0.00 2.95 0.00 0.00 42.46 41.65 1m5z s ILE 102 CO 0.05 -0.26 0.24 -0.94 -1.79 0.00 0.00 174.94 172.24 1m5z s SER 103 N -4.04 -0.25 -0.03 4.36 1.04 0.68 -1.04 113.70 114.41 1m5z s SER 103 Ca 0.39 0.50 -0.07 0.00 0.48 0.00 0.00 55.95 57.25 1m5z s SER 103 Cb -0.09 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1m5z s SER 103 CO 0.29 -0.16 0.16 0.00 0.98 0.00 0.00 173.24 174.51 1m5z s ARG 104 N 1.23 0.38 0.04 4.02 1.04 -0.96 -0.55 118.95 124.16 1m5z s ARG 104 Ca -0.09 -0.12 -0.31 0.00 -1.04 0.00 0.00 55.73 54.17 1m5z s ARG 104 Cb -0.10 0.16 -0.06 0.00 -2.04 0.00 0.00 34.95 32.90 1m5z s ARG 104 CO -0.08 -0.08 1.40 0.54 -0.04 0.00 0.00 175.30 177.04 1m5z s ASN 105 N -0.77 6.84 0.00 -2.89 2.20 -1.26 -0.99 114.94 118.08 1m5z s ASN 105 Ca -0.09 2.20 0.00 0.00 -0.94 0.00 0.00 52.86 54.03 1m5z s ASN 105 Cb -0.05 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.63 1m5z s ASN 105 CO 0.01 -0.69 0.37 -2.65 -2.94 0.00 0.00 177.10 171.20