#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4z s ASN 4 N 0.00 4.55 0.57 0.41 0.02 -1.26 -4.93 114.94 114.30 1r4z s ASN 4 Ca 0.00 2.19 -0.20 0.00 -1.02 0.00 0.00 52.86 53.83 1r4z s ASN 4 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 1r4z s ASN 4 CO 0.00 -2.01 1.26 -2.16 0.02 0.00 0.00 177.10 174.21 1r4z s PRO 5 N -4.02 3.03 -0.19 -0.60 0.04 -1.26 -4.67 135.00 127.33 1r4z s PRO 5 Ca 0.71 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.69 1r4z s PRO 5 Cb -0.25 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1r4z s PRO 5 CO 0.44 -1.20 -0.01 0.08 0.04 0.00 0.00 177.00 176.35 1r4z s VAL 6 N -1.46 3.94 -0.25 -0.36 1.01 -0.57 -1.50 120.40 121.20 1r4z s VAL 6 Ca 0.75 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1r4z s VAL 6 Cb -0.35 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1r4z s VAL 6 CO 0.39 0.44 0.12 -0.69 0.00 0.00 0.00 175.10 175.36 1r4z s VAL 7 N 0.88 4.75 -0.20 2.92 1.01 -0.22 -0.29 120.40 129.25 1r4z s VAL 7 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1r4z s VAL 7 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1r4z s VAL 7 CO 0.02 0.32 0.08 -0.04 0.00 0.00 0.00 175.10 175.48 1r4z s MET 8 N 1.55 3.94 -0.26 2.72 -1.94 0.23 -1.64 119.30 123.91 1r4z s MET 8 Ca 0.06 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.69 1r4z s MET 8 Cb -0.15 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.43 1r4z s MET 8 CO 0.06 0.16 -0.07 0.08 -0.01 0.00 0.00 175.02 175.25 1r4z s VAL 9 N 0.70 2.72 0.76 -6.03 1.01 -0.32 -2.19 120.40 117.05 1r4z s VAL 9 Ca 0.04 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.73 1r4z s VAL 9 Cb -0.13 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.88 1r4z s VAL 9 CO 0.02 0.12 1.11 -1.38 0.00 0.00 0.00 175.10 174.97 1r4z s HIS 10 N 1.27 2.95 0.00 5.22 -3.43 -1.26 -1.81 115.29 118.23 1r4z s HIS 10 Ca -0.02 0.64 0.00 0.00 -0.80 0.00 0.00 55.06 54.88 1r4z s HIS 10 Cb -0.18 -3.36 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 1r4z s HIS 10 CO -0.04 -1.61 0.00 0.41 -2.00 0.00 0.00 174.74 171.49 1r4z n GLY 11 N -3.15 1.22 3.70 -1.38 0.00 -1.16 -3.50 105.19 100.91 1r4z n GLY 11 Ca 0.08 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1r4z n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r4z s ILE 12 N 1.09 2.84 0.00 -0.61 1.01 -1.26 -1.43 121.20 122.83 1r4z s ILE 12 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1r4z s ILE 12 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1r4z s ILE 12 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1r4z n GLY 13 N 4.00 0.32 3.94 6.18 0.00 -1.05 -4.99 105.19 113.58 1r4z n GLY 13 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1r4z n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4z s GLY 14 N -2.00 1.81 0.11 -0.02 0.00 -0.52 -5.11 107.32 101.59 1r4z s GLY 14 Ca 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 44.72 43.35 1r4z s GLY 14 CO 0.00 -0.48 0.20 0.00 0.00 0.00 0.00 173.10 172.82 1r4z s ALA 15 N -3.93 -0.07 0.30 3.20 0.00 -1.26 -4.93 121.76 115.06 1r4z s ALA 15 Ca 0.76 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1r4z s ALA 15 Cb -0.03 0.59 0.53 0.00 0.00 0.00 0.00 23.12 24.22 1r4z s ALA 15 CO 0.53 -0.54 1.91 0.77 0.00 0.00 0.00 175.76 178.44 1r4z h SER 16 N 2.72 0.90 0.00 0.00 0.02 -1.93 -0.94 113.55 114.32 1r4z h SER 16 Ca -0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1r4z h SER 16 Cb 1.20 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1r4z h SER 16 CO 0.55 0.58 0.00 2.22 -1.14 0.00 0.00 176.83 179.04 1r4z n PHE 17 N -4.49 0.00 0.24 3.45 -1.74 -1.26 -2.08 117.46 111.58 1r4z n PHE 17 Ca 0.14 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.13 1r4z n PHE 17 Cb 0.20 0.00 0.61 0.00 1.52 0.00 0.00 39.48 41.81 1r4z n PHE 17 CO 0.00 0.00 0.00 -0.91 -0.56 0.00 0.00 176.76 175.29 1r4z h ASN 18 N 0.00 0.00 -0.47 5.98 2.35 -1.58 -2.24 115.58 119.62 1r4z h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1r4z h ASN 18 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1r4z h ASN 18 CO 0.00 0.18 0.00 0.49 -1.65 0.00 0.00 177.43 176.45 1r4z n PHE 19 N -3.71 0.69 -0.28 1.19 3.72 -0.88 -4.45 117.46 113.74 1r4z n PHE 19 Ca -0.02 -0.33 0.02 0.00 -0.05 0.00 0.00 57.45 57.07 1r4z n PHE 19 Cb 0.30 -0.03 0.15 0.00 -0.94 0.00 0.00 39.48 38.96 1r4z n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r4z h ALA 20 N 3.82 1.12 -0.18 4.37 0.00 -1.60 0.41 119.26 127.19 1r4z h ALA 20 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r4z h ALA 20 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1r4z h ALA 20 CO 0.03 0.10 -0.02 0.78 0.00 0.00 0.00 179.25 180.14 1r4z h GLY 21 N 0.78 0.36 1.07 0.00 0.00 -1.81 -2.04 103.07 101.44 1r4z h GLY 21 Ca 0.38 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1r4z h GLY 21 CO -0.23 0.26 0.32 -2.22 0.00 0.00 0.00 176.54 174.67 1r4z h ILE 22 N 0.07 1.26 0.02 2.60 2.04 -1.63 -1.00 117.51 120.87 1r4z h ILE 22 Ca 0.05 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1r4z h ILE 22 Cb 0.43 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1r4z h ILE 22 CO 0.01 0.33 -0.01 0.11 0.00 0.00 0.00 178.15 178.59 1r4z h LYS 23 N 1.15 -0.02 -0.89 2.37 1.57 -0.90 -0.61 116.57 119.23 1r4z h LYS 23 Ca 0.27 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 1r4z h LYS 23 Cb 0.20 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1r4z h LYS 23 CO -0.02 0.13 0.57 1.03 -0.57 0.00 0.00 179.45 180.58 1r4z h SER 24 N -0.17 0.91 0.12 0.86 0.87 -1.17 -0.56 113.55 114.41 1r4z h SER 24 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1r4z h SER 24 Cb 0.16 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1r4z h SER 24 CO 0.00 0.59 -0.06 0.22 -0.53 0.00 0.00 176.83 177.06 1r4z h TYR 25 N 1.05 -0.15 -0.98 2.24 3.20 -0.96 -2.21 116.97 119.16 1r4z h TYR 25 Ca 0.38 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.26 1r4z h TYR 25 Cb 0.13 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1r4z h TYR 25 CO -0.02 0.06 0.65 -0.07 -1.64 0.00 0.00 178.16 177.13 1r4z h LEU 26 N -0.34 1.13 -1.11 2.82 3.38 -0.77 -1.09 115.31 119.32 1r4z h LEU 26 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1r4z h LEU 26 Cb 0.28 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1r4z h LEU 26 CO 0.03 0.81 0.44 0.58 0.09 0.00 0.00 178.44 180.39 1r4z h VAL 27 N 1.33 1.22 0.00 1.22 2.07 -1.03 0.02 116.25 121.08 1r4z h VAL 27 Ca 0.36 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1r4z h VAL 27 Cb -0.15 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1r4z h VAL 27 CO -0.08 0.24 0.00 0.77 0.02 0.00 0.00 177.57 178.52 1r4z h SER 28 N 1.07 0.00 -0.40 0.57 4.64 -0.58 -2.65 113.55 116.20 1r4z h SER 28 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1r4z h SER 28 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r4z h SER 28 CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 1r4z n GLN 29 N -2.94 2.45 0.00 4.77 1.13 -0.12 -4.95 117.38 117.72 1r4z n GLN 29 Ca 0.01 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 52.87 1r4z n GLN 29 Cb 0.27 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1r4z n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r4z n GLY 30 N 1.49 0.90 3.77 1.08 0.00 -0.93 -5.06 105.19 106.43 1r4z n GLY 30 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1r4z n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r4z s TRP 31 N -2.00 3.53 -0.03 1.61 0.51 -0.52 -4.99 118.94 117.06 1r4z s TRP 31 Ca 0.00 1.72 -0.30 0.00 -2.12 0.00 0.00 56.10 55.40 1r4z s TRP 31 Cb 0.00 -3.11 -0.03 0.00 -0.81 0.00 0.00 33.47 29.52 1r4z s TRP 31 CO 0.00 -0.30 1.04 -1.12 -0.51 0.00 0.00 176.95 176.06 1r4z s SER 32 N -1.33 7.26 0.33 2.95 0.01 -1.26 -4.13 113.70 117.52 1r4z s SER 32 Ca 0.50 1.69 0.06 0.00 1.31 0.00 0.00 55.95 59.51 1r4z s SER 32 Cb -0.25 -2.57 0.70 0.00 0.21 0.00 0.00 66.02 64.12 1r4z s SER 32 CO 0.31 -0.38 1.87 -0.09 0.41 0.00 0.00 173.24 175.36 1r4z h ARG 33 N 6.96 0.80 0.00 12.44 9.65 -1.94 -0.62 114.38 141.66 1r4z h ARG 33 Ca -0.38 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1r4z h ARG 33 Cb 1.19 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1r4z h ARG 33 CO 0.80 0.53 0.00 -0.40 2.80 0.00 0.00 179.97 183.70 1r4z n ASP 34 N -4.56 0.00 -0.33 -3.80 5.75 -1.26 -2.82 116.55 109.52 1r4z n ASP 34 Ca 0.17 -1.24 0.09 0.00 -0.01 0.00 0.00 54.79 53.80 1r4z n ASP 34 Cb 0.39 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.65 1r4z n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1r4z n LYS 35 N -0.75 1.90 -4.13 0.11 4.76 -0.24 -4.93 118.16 114.87 1r4z n LYS 35 Ca 0.10 -2.60 -0.33 0.00 -2.87 0.00 0.00 58.31 52.60 1r4z n LYS 35 Cb 0.05 -1.58 -0.16 0.00 -1.84 0.00 0.00 35.03 31.50 1r4z n LYS 35 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r4z s LEU 36 N -2.74 2.33 -0.05 -0.35 1.43 -1.13 -1.52 118.68 116.66 1r4z s LEU 36 Ca 0.34 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1r4z s LEU 36 Cb 0.28 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 1r4z s LEU 36 CO 0.05 0.01 -0.19 -0.31 0.23 0.00 0.00 176.35 176.14 1r4z s TYR 37 N 1.27 1.84 -0.30 0.29 2.02 0.60 -4.99 117.35 118.08 1r4z s TYR 37 Ca 0.04 -0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 56.14 1r4z s TYR 37 Cb -0.14 -1.23 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 1r4z s TYR 37 CO -0.09 -0.18 0.07 0.00 -1.57 0.00 0.00 175.55 173.78 1r4z s ALA 38 N 0.01 3.02 0.39 3.71 0.00 -1.26 0.78 121.76 128.40 1r4z s ALA 38 Ca -0.04 -1.55 -0.26 0.00 0.00 0.00 0.00 51.96 50.11 1r4z s ALA 38 Cb -0.12 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.77 1r4z s ALA 38 CO 0.02 -1.05 1.26 0.54 0.00 0.00 0.00 175.76 176.54 1r4z s VAL 39 N 1.45 2.81 -0.12 0.00 0.11 -0.93 -4.95 120.40 118.77 1r4z s VAL 39 Ca 0.01 0.73 -0.11 0.00 -2.93 0.00 0.00 61.98 59.68 1r4z s VAL 39 Cb -0.18 -3.43 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1r4z s VAL 39 CO 0.02 0.11 0.24 -1.81 -3.33 0.00 0.00 175.10 170.32 1r4z s ASP 40 N -0.81 6.46 0.05 3.54 1.01 -1.26 -4.79 116.67 120.88 1r4z s ASP 40 Ca 0.55 0.55 0.09 0.00 0.71 0.00 0.00 52.55 54.44 1r4z s ASP 40 Cb -0.36 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1r4z s ASP 40 CO 0.46 0.27 -0.25 -0.36 0.21 0.00 0.00 175.17 175.51 1r4z s PHE 41 N -0.43 2.16 -0.14 4.23 0.08 -1.26 -4.92 117.98 117.70 1r4z s PHE 41 Ca 0.16 -0.40 0.18 0.00 0.12 0.00 0.00 56.93 56.99 1r4z s PHE 41 Cb -0.13 -1.28 -0.13 0.00 -0.57 0.00 0.00 43.02 40.91 1r4z s PHE 41 CO 0.05 0.13 0.80 -2.67 -0.10 0.00 0.00 175.22 173.43 1r4z n TRP 42 N 1.71 0.87 -2.77 0.36 4.27 -1.26 -4.72 117.44 115.90 1r4z n TRP 42 Ca -0.17 0.28 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 1r4z n TRP 42 Cb 0.52 -1.03 -0.04 0.00 -1.36 0.00 0.00 31.31 29.41 1r4z n TRP 42 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1r4z s ASP 43 N -5.61 6.20 0.27 -0.67 -1.08 -1.26 -4.88 116.67 109.65 1r4z s ASP 43 Ca -0.03 -0.72 0.23 0.00 -0.52 0.00 0.00 52.55 51.51 1r4z s ASP 43 Cb 0.09 -2.46 1.02 0.00 -1.46 0.00 0.00 42.92 40.11 1r4z s ASP 43 CO 0.81 -1.52 1.70 0.29 0.52 0.00 0.00 175.17 176.98 1r4z n LYS 44 N 8.13 0.18 0.04 4.34 4.76 -1.26 -2.20 118.16 132.15 1r4z n LYS 44 Ca -0.01 0.47 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 1r4z n LYS 44 Cb 0.47 -1.89 0.27 0.00 -1.84 0.00 0.00 35.03 32.03 1r4z n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1r4z n THR 45 N -2.25 0.24 -1.31 -0.18 -2.24 -1.26 -2.53 114.28 104.75 1r4z n THR 45 Ca 0.01 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 1r4z n THR 45 Cb 0.19 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1r4z n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4z n GLY 46 N 1.40 0.68 3.76 3.38 0.00 -0.93 -4.77 105.19 108.70 1r4z n GLY 46 Ca 0.05 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1r4z n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4z s THR 47 N -2.20 2.21 0.20 2.61 -4.23 -1.26 -4.84 115.64 108.13 1r4z s THR 47 Ca 0.00 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1r4z s THR 47 Cb 0.00 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.88 1r4z s THR 47 CO 0.00 0.01 1.86 0.78 -0.54 0.00 0.00 174.62 176.74 1r4z h ASN 48 N 2.04 0.77 -0.97 3.99 2.35 -1.95 -0.35 115.58 121.46 1r4z h ASN 48 Ca -0.51 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.30 1r4z h ASN 48 Cb 1.27 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 39.39 1r4z h ASN 48 CO 0.60 0.55 0.63 0.22 -1.65 0.00 0.00 177.43 177.78 1r4z h TYR 49 N 0.91 1.15 0.15 1.19 -0.00 -2.00 0.12 116.97 118.48 1r4z h TYR 49 Ca 0.26 0.03 -0.36 0.00 -0.00 0.00 0.00 58.73 58.66 1r4z h TYR 49 Cb -0.07 -0.38 -0.01 0.00 -0.00 0.00 0.00 36.73 36.28 1r4z h TYR 49 CO -0.03 0.59 -1.90 -0.91 -0.00 0.00 0.00 178.16 175.90 1r4z h ASN 50 N 1.11 0.48 0.75 -2.11 2.35 -1.89 -3.40 115.58 112.88 1r4z h ASN 50 Ca 0.42 -0.93 -0.20 0.00 -0.55 0.00 0.00 56.30 55.05 1r4z h ASN 50 Cb 0.20 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1r4z h ASN 50 CO -0.17 1.81 -0.92 0.78 -1.65 0.00 0.00 177.43 177.29 1r4z h ASN 51 N 0.08 0.14 -0.10 5.81 4.21 -1.01 -3.35 115.58 121.35 1r4z h ASN 51 Ca -0.39 -0.12 0.04 0.00 1.21 0.00 0.00 56.30 57.04 1r4z h ASN 51 Cb 2.06 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 39.16 1r4z h ASN 51 CO 0.12 0.98 -0.30 1.23 -1.29 0.00 0.00 177.43 178.17 1r4z h GLY 52 N 2.26 -0.42 1.19 2.83 0.00 -0.95 -0.32 103.07 107.66 1r4z h GLY 52 Ca -0.03 0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.67 1r4z h GLY 52 CO 0.13 -0.22 0.54 -2.55 0.00 0.00 0.00 176.54 174.44 1r4z h PRO 53 N -0.39 1.08 -0.41 4.80 0.11 -1.79 -0.13 132.00 135.27 1r4z h PRO 53 Ca 0.09 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1r4z h PRO 53 Cb 0.53 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1r4z h PRO 53 CO -0.32 0.72 -0.00 0.28 -0.21 0.00 0.00 178.00 178.47 1r4z h VAL 54 N 1.12 1.26 -0.55 3.15 2.07 -1.59 -0.33 116.25 121.37 1r4z h VAL 54 Ca 0.30 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1r4z h VAL 54 Cb -0.12 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1r4z h VAL 54 CO -0.06 0.35 0.19 0.25 0.02 0.00 0.00 177.57 178.31 1r4z h LEU 55 N 0.56 0.79 -0.25 2.57 5.85 -0.65 -1.27 115.31 122.91 1r4z h LEU 55 Ca 0.12 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1r4z h LEU 55 Cb 0.48 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1r4z h LEU 55 CO 0.02 0.77 0.11 -1.28 -0.34 0.00 0.00 178.44 177.73 1r4z h SER 56 N 0.76 0.16 -0.74 1.25 0.87 -0.78 -1.04 113.55 114.04 1r4z h SER 56 Ca 0.18 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1r4z h SER 56 Cb 0.25 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1r4z h SER 56 CO -0.01 0.13 0.41 0.03 -0.53 0.00 0.00 176.83 176.86 1r4z h ARG 57 N 0.25 1.03 -0.11 2.24 3.08 -0.87 -2.63 114.38 117.37 1r4z h ARG 57 Ca 0.10 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1r4z h ARG 57 Cb 0.04 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1r4z h ARG 57 CO -0.08 0.76 0.03 0.35 -1.07 0.00 0.00 179.97 179.96 1r4z h PHE 58 N 1.02 0.18 -0.98 3.04 3.57 -0.87 -2.67 116.94 120.23 1r4z h PHE 58 Ca 0.26 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1r4z h PHE 58 Cb 0.02 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1r4z h PHE 58 CO -0.00 0.33 0.64 0.28 -2.23 0.00 0.00 178.31 177.33 1r4z h VAL 59 N -0.03 1.16 -0.92 1.41 2.07 -1.14 -0.47 116.25 118.33 1r4z h VAL 59 Ca 0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1r4z h VAL 59 Cb 0.24 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1r4z h VAL 59 CO 0.00 0.22 0.54 -0.61 0.02 0.00 0.00 177.57 177.74 1r4z h GLN 60 N 1.23 1.25 -0.61 1.57 5.75 -1.35 -1.28 115.11 121.68 1r4z h GLN 60 Ca 0.39 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.68 1r4z h GLN 60 Cb 0.03 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 1r4z h GLN 60 CO -0.13 0.89 0.04 0.87 -2.65 0.00 0.00 178.83 177.85 1r4z h LYS 61 N 1.27 1.03 -0.39 1.69 1.79 -0.94 -0.87 116.57 120.16 1r4z h LYS 61 Ca 0.33 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1r4z h LYS 61 Cb -0.03 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1r4z h LYS 61 CO -0.06 0.99 0.25 0.28 -1.08 0.00 0.00 179.45 179.83 1r4z h VAL 62 N 0.95 1.11 -0.35 0.50 2.07 -0.42 -0.37 116.25 119.75 1r4z h VAL 62 Ca 0.18 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1r4z h VAL 62 Cb 0.50 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1r4z h VAL 62 CO 0.02 0.11 0.12 -0.07 0.02 0.00 0.00 177.57 177.77 1r4z h LEU 63 N 0.52 0.49 -0.10 2.57 3.38 -1.03 -0.24 115.31 120.90 1r4z h LEU 63 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r4z h LEU 63 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1r4z h LEU 63 CO -0.03 0.55 0.01 0.44 0.09 0.00 0.00 178.44 179.50 1r4z h ASP 64 N 0.41 -0.01 0.60 -0.43 3.32 -0.88 0.11 116.42 119.54 1r4z h ASP 64 Ca 0.11 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 1r4z h ASP 64 Cb 0.22 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1r4z h ASP 64 CO -0.01 0.01 -0.76 -0.33 -1.72 0.00 0.00 179.24 176.44 1r4z h GLU 65 N 0.06 0.12 0.00 3.56 4.39 -1.02 -3.31 114.58 118.38 1r4z h GLU 65 Ca 0.05 -0.11 -0.27 0.00 0.34 0.00 0.00 59.36 59.36 1r4z h GLU 65 Cb 0.04 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1r4z h GLU 65 CO -0.07 0.82 -1.67 0.25 -1.16 0.00 0.00 179.01 177.18 1r4z n THR 66 N -3.71 1.52 -0.63 1.13 -2.24 -0.11 -4.96 114.28 105.29 1r4z n THR 66 Ca -0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1r4z n THR 66 Cb 0.73 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1r4z n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4z n GLY 67 N 1.53 0.76 3.79 3.38 0.00 0.38 -5.04 105.19 109.98 1r4z n GLY 67 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1r4z n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4z s ALA 68 N -2.69 2.70 0.03 4.61 0.00 -1.22 -4.96 121.76 120.24 1r4z s ALA 68 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1r4z s ALA 68 Cb 0.00 -3.28 -0.23 0.00 0.00 0.00 0.00 23.12 19.61 1r4z s ALA 68 CO 0.00 -0.79 0.95 0.87 0.00 0.00 0.00 175.76 176.79 1r4z h LYS 69 N 0.77 0.04 -3.80 0.00 1.57 -1.96 -3.44 116.57 109.76 1r4z h LYS 69 Ca -0.48 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.14 1r4z h LYS 69 Cb 1.24 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 1r4z h LYS 69 CO 0.57 0.82 -0.35 0.15 -0.57 0.00 0.00 179.45 180.07 1r4z s LYS 70 N -2.65 0.89 0.30 3.15 1.02 -1.26 -4.80 119.74 116.39 1r4z s LYS 70 Ca -0.03 -0.97 0.10 0.00 0.02 0.00 0.00 55.97 55.09 1r4z s LYS 70 Cb 0.09 0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.70 1r4z s LYS 70 CO 0.83 -0.29 -0.05 0.14 -0.92 0.00 0.00 175.35 175.05 1r4z s VAL 71 N -3.87 2.89 0.15 3.17 -7.23 -0.27 -4.34 120.40 110.90 1r4z s VAL 71 Ca 0.06 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1r4z s VAL 71 Cb 0.05 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1r4z s VAL 71 CO -0.10 -0.32 0.04 -1.81 -0.31 0.00 0.00 175.10 172.60 1r4z s ASP 72 N -3.65 5.04 -0.04 4.85 1.01 -0.56 -0.93 116.67 122.39 1r4z s ASP 72 Ca 0.32 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.34 1r4z s ASP 72 Cb -0.04 -1.18 0.01 0.00 1.01 0.00 0.00 42.92 42.72 1r4z s ASP 72 CO 0.18 0.11 -0.11 -0.63 0.21 0.00 0.00 175.17 174.93 1r4z s ILE 73 N -1.62 0.97 -0.17 0.77 1.01 0.20 -1.05 121.20 121.30 1r4z s ILE 73 Ca 0.28 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1r4z s ILE 73 Cb -0.10 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1r4z s ILE 73 CO 0.20 0.30 -0.19 -0.69 0.00 0.00 0.00 174.94 174.56 1r4z s VAL 74 N 0.32 2.20 0.06 2.92 1.01 -0.65 -0.32 120.40 125.94 1r4z s VAL 74 Ca -0.06 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1r4z s VAL 74 Cb -0.11 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1r4z s VAL 74 CO 0.01 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.51 1r4z s ALA 75 N 1.15 1.15 -0.02 5.51 0.00 0.07 -1.18 121.76 128.44 1r4z s ALA 75 Ca 0.01 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1r4z s ALA 75 Cb -0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1r4z s ALA 75 CO -0.09 0.18 -0.21 -1.58 0.00 0.00 0.00 175.76 174.07 1r4z s HIS 76 N -1.11 1.87 0.00 0.00 5.65 -0.75 0.29 115.29 121.24 1r4z s HIS 76 Ca -0.01 -0.36 0.00 0.00 0.25 0.00 0.00 55.06 54.94 1r4z s HIS 76 Cb -0.09 -1.21 0.00 0.00 -1.18 0.00 0.00 32.58 30.10 1r4z s HIS 76 CO 0.02 -0.04 0.00 0.45 -0.65 0.00 0.00 174.74 174.52 1r4z n SER 77 N 2.59 0.00 0.31 9.88 2.88 -0.90 -0.50 113.62 127.88 1r4z n SER 77 Ca -0.15 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.57 1r4z n SER 77 Cb 0.53 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.96 1r4z n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1r4z h MET 78 N 0.00 0.00 -0.23 -1.46 1.85 -1.85 -0.87 114.93 112.37 1r4z h MET 78 Ca 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.16 1r4z h MET 78 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1r4z h MET 78 CO 0.00 0.03 0.17 0.78 -0.40 0.00 0.00 176.91 177.49 1r4z h GLY 79 N 0.54 0.00 0.86 1.39 0.00 -0.83 -1.22 103.07 103.81 1r4z h GLY 79 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1r4z h GLY 79 CO 0.00 0.00 0.01 -1.33 0.00 0.00 0.00 176.54 175.23 1r4z h GLY 80 N 0.00 0.47 0.99 4.60 0.00 -1.46 -0.91 103.07 106.76 1r4z h GLY 80 Ca 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1r4z h GLY 80 CO -0.00 0.31 0.33 0.00 0.00 0.00 0.00 176.54 177.18 1r4z h ALA 81 N 0.83 0.70 -0.73 3.60 0.00 -1.41 -1.58 119.26 120.67 1r4z h ALA 81 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1r4z h ALA 81 Cb 0.39 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1r4z h ALA 81 CO 0.01 0.18 0.48 -0.91 0.00 0.00 0.00 179.25 179.01 1r4z h ASN 82 N 0.74 0.82 -0.35 0.00 2.35 -1.14 -0.83 115.58 117.18 1r4z h ASN 82 Ca 0.20 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1r4z h ASN 82 Cb -0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1r4z h ASN 82 CO -0.04 0.59 0.11 0.74 -1.65 0.00 0.00 177.43 177.17 1r4z h THR 83 N 0.97 1.21 -0.08 2.81 2.02 -0.81 -1.30 112.91 117.72 1r4z h THR 83 Ca 0.28 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1r4z h THR 83 Cb -0.08 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1r4z h THR 83 CO -0.07 0.24 -0.32 -0.07 0.37 0.00 0.00 175.52 175.67 1r4z h LEU 84 N 0.41 0.16 -0.37 2.58 3.38 -1.05 -2.05 115.31 118.37 1r4z h LEU 84 Ca 0.11 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1r4z h LEU 84 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1r4z h LEU 84 CO -0.00 0.48 -0.21 0.22 0.09 0.00 0.00 178.44 179.01 1r4z h TYR 85 N 0.14 0.92 -0.78 1.13 5.03 -0.92 0.33 116.97 122.82 1r4z h TYR 85 Ca 0.02 -0.24 0.01 0.00 2.58 0.00 0.00 58.73 61.10 1r4z h TYR 85 Cb 0.64 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.67 1r4z h TYR 85 CO 0.01 0.99 0.51 -0.92 -1.32 0.00 0.00 178.16 177.43 1r4z h TYR 86 N 0.59 0.98 -0.09 -3.82 3.20 -0.94 0.27 116.97 117.16 1r4z h TYR 86 Ca 0.08 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.78 1r4z h TYR 86 Cb 0.77 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 38.72 1r4z h TYR 86 CO 0.06 0.62 -0.69 0.82 -1.64 0.00 0.00 178.16 177.33 1r4z h ILE 87 N 1.05 1.33 0.02 1.81 2.04 -1.19 -1.49 117.51 121.10 1r4z h ILE 87 Ca 0.28 -1.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 1r4z h ILE 87 Cb -0.12 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1r4z h ILE 87 CO -0.06 0.60 -0.01 0.50 0.00 0.00 0.00 178.15 179.18 1r4z h LYS 88 N 0.25 -0.03 0.00 2.37 3.64 -0.15 -3.30 116.57 119.36 1r4z h LYS 88 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1r4z h LYS 88 Cb 1.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1r4z h LYS 88 CO 0.14 0.68 -1.37 0.09 -2.27 0.00 0.00 179.45 176.72 1r4z n ASN 89 N -4.71 0.54 0.00 4.20 4.13 0.94 -4.99 115.26 115.37 1r4z n ASN 89 Ca -0.08 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.74 1r4z n ASN 89 Cb 0.35 1.32 0.00 0.00 -1.54 0.00 0.00 39.78 39.91 1r4z n ASN 89 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r4z n LEU 90 N -1.89 0.00 -1.37 3.41 4.77 -1.03 -5.02 117.00 115.87 1r4z n LEU 90 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1r4z n LEU 90 Cb 0.44 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.86 1r4z n LEU 90 CO 0.43 0.00 0.79 -0.90 -1.33 0.00 0.00 177.39 176.38 1r4z n ASP 91 N 0.00 4.76 0.03 -1.43 5.75 -1.18 -4.58 116.55 119.90 1r4z n ASP 91 Ca 0.00 -2.99 0.13 0.00 -0.01 0.00 0.00 54.79 51.92 1r4z n ASP 91 Cb 0.00 -0.61 0.52 0.00 -1.03 0.00 0.00 41.12 40.00 1r4z n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r4z n GLY 92 N 0.01 -1.47 0.46 6.12 0.00 -0.59 -4.11 105.19 105.61 1r4z n GLY 92 Ca 0.25 -0.07 0.28 0.00 0.00 0.00 0.00 46.02 46.48 1r4z n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r4z h GLY 93 N 4.43 0.00 -0.07 -0.02 0.00 -1.77 -2.03 103.07 103.61 1r4z h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r4z h GLY 93 CO 0.00 0.00 -0.03 1.16 0.00 0.00 0.00 176.54 177.67 1r4z n ASN 94 N -4.05 2.12 -0.02 0.19 6.94 -1.26 -0.64 115.26 118.55 1r4z n ASN 94 Ca 0.17 -2.85 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1r4z n ASN 94 Cb 0.96 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1r4z n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1r4z n LYS 95 N -1.20 0.92 -5.21 -3.83 5.02 -0.77 -4.92 118.16 108.17 1r4z n LYS 95 Ca 0.13 -0.41 -0.32 0.00 -2.02 0.00 0.00 58.31 55.70 1r4z n LYS 95 Cb 0.59 -0.89 -0.16 0.00 -0.02 0.00 0.00 35.03 34.55 1r4z n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r4z s VAL 96 N -0.28 2.26 -0.05 -0.18 1.01 -1.20 -1.11 120.40 120.85 1r4z s VAL 96 Ca 0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1r4z s VAL 96 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1r4z s VAL 96 CO 0.01 0.58 -0.11 0.00 0.00 0.00 0.00 175.10 175.58 1r4z n ALA 97 N 2.60 0.64 -2.85 5.51 0.00 -0.11 -4.67 120.51 121.64 1r4z n ALA 97 Ca -0.17 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.55 1r4z n ALA 97 Cb 0.52 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1r4z n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r4z s ASN 98 N -4.76 3.95 -0.08 0.00 0.01 -1.26 -1.75 114.94 111.05 1r4z s ASN 98 Ca -0.09 -0.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.81 1r4z s ASN 98 Cb 0.01 -1.30 -0.01 0.00 0.41 0.00 0.00 41.25 40.37 1r4z s ASN 98 CO 0.13 0.23 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.03 1r4z s VAL 99 N -0.06 2.09 -0.10 1.60 1.01 0.06 -0.63 120.40 124.37 1r4z s VAL 99 Ca -0.03 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1r4z s VAL 99 Cb -0.14 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1r4z s VAL 99 CO 0.04 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.95 1r4z s VAL 100 N 0.08 0.91 0.02 2.92 1.01 0.56 -1.27 120.40 124.64 1r4z s VAL 100 Ca -0.11 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1r4z s VAL 100 Cb -0.16 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1r4z s VAL 100 CO 0.06 0.35 -0.10 0.42 0.00 0.00 0.00 175.10 175.83 1r4z s THR 101 N 1.66 3.40 -0.29 3.92 -4.23 -0.33 -0.75 115.64 119.02 1r4z s THR 101 Ca 0.03 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1r4z s THR 101 Cb -0.13 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1r4z s THR 101 CO -0.07 0.37 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.58 1r4z s LEU 102 N -1.46 3.88 -1.52 4.79 1.43 0.14 -0.80 118.68 125.14 1r4z s LEU 102 Ca 0.17 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.64 1r4z s LEU 102 Cb -0.11 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1r4z s LEU 102 CO 0.07 -0.26 1.00 0.61 0.23 0.00 0.00 176.35 178.00 1r4z n GLY 103 N 4.48 -0.50 3.77 -3.19 0.00 0.77 -2.12 105.19 108.40 1r4z n GLY 103 Ca -0.11 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1r4z n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4z s GLY 104 N -3.32 3.00 -0.43 -0.02 0.00 -1.26 -3.18 107.32 102.11 1r4z s GLY 104 Ca 0.65 1.08 -0.04 0.00 0.00 0.00 0.00 44.72 46.42 1r4z s GLY 104 CO 0.82 1.69 2.70 0.00 0.00 0.00 0.00 173.10 178.31 1r4z n ALA 105 N 0.81 6.32 -0.25 3.20 0.00 -0.42 -3.23 120.51 126.94 1r4z n ALA 105 Ca 0.00 -2.89 0.05 0.00 0.00 0.00 0.00 53.44 50.60 1r4z n ALA 105 Cb 0.44 -2.07 0.18 0.00 0.00 0.00 0.00 19.45 18.00 1r4z n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1r4z h ASN 106 N 2.83 0.28 0.17 0.00 2.35 -1.67 -2.37 115.58 117.17 1r4z h ASN 106 Ca 0.38 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1r4z h ASN 106 Cb 0.75 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1r4z h ASN 106 CO 0.86 0.12 0.00 0.54 -1.65 0.00 0.00 177.43 177.30 1r4z n ARG 107 N -4.99 0.19 0.15 0.81 1.74 -0.27 -0.95 116.66 113.34 1r4z n ARG 107 Ca 0.14 0.15 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1r4z n ARG 107 Cb 0.40 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.88 1r4z n ARG 107 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1r4z h LEU 108 N 0.00 0.00 0.00 0.55 3.38 -1.71 -3.30 115.31 114.23 1r4z h LEU 108 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1r4z h LEU 108 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1r4z h LEU 108 CO 0.00 0.00 -0.56 0.41 0.09 0.00 0.00 178.44 178.38 1r4z n THR 109 N -2.34 1.23 -3.54 0.22 -1.04 -0.13 -5.10 114.28 103.59 1r4z n THR 109 Ca 0.01 0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 62.15 1r4z n THR 109 Cb 0.20 -1.85 -0.03 0.00 -1.82 0.00 0.00 70.33 66.83 1r4z n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r4z s THR 110 N -2.33 0.03 -1.58 12.58 -1.32 -0.81 -5.01 115.64 117.19 1r4z s THR 110 Ca -0.12 -0.30 0.15 0.00 -1.21 0.00 0.00 61.69 60.21 1r4z s THR 110 Cb 0.02 -1.13 0.29 0.00 -1.51 0.00 0.00 72.50 70.17 1r4z s THR 110 CO 0.17 -0.13 1.20 0.61 -2.21 0.00 0.00 174.62 174.26 1r4z n GLY 111 N -0.32 1.56 3.51 6.08 0.00 -1.26 -3.17 105.19 111.59 1r4z n GLY 111 Ca -0.16 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1r4z n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r4z s LYS 112 N -1.13 2.23 -1.17 1.61 2.20 -1.26 -0.64 119.74 121.57 1r4z s LYS 112 Ca 0.26 -0.91 -0.19 0.00 -0.36 0.00 0.00 55.97 54.77 1r4z s LYS 112 Cb 0.15 -2.30 0.08 0.00 -1.51 0.00 0.00 37.83 34.25 1r4z s LYS 112 CO 0.21 0.56 1.57 0.00 -0.36 0.00 0.00 175.35 177.33 1r4z s ALA 113 N -0.98 3.17 0.05 3.13 0.00 -0.43 -4.78 121.76 121.92 1r4z s ALA 113 Ca 0.16 -2.72 -0.35 0.00 0.00 0.00 0.00 51.96 49.06 1r4z s ALA 113 Cb -0.11 -4.53 -0.14 0.00 0.00 0.00 0.00 23.12 18.35 1r4z s ALA 113 CO 0.07 -3.35 1.65 1.28 0.00 0.00 0.00 175.76 175.41 1r4z n LEU 114 N 8.22 2.97 0.24 0.00 4.77 -1.26 -4.88 117.00 127.05 1r4z n LEU 114 Ca 0.41 1.06 0.10 0.00 -0.03 0.00 0.00 56.01 57.55 1r4z n LEU 114 Cb 0.48 -1.36 0.58 0.00 -2.33 0.00 0.00 43.42 40.78 1r4z n LEU 114 CO 0.70 -0.32 0.87 1.55 -1.33 0.00 0.00 177.39 178.86 1r4z h PRO 115 N 6.78 0.00 0.00 3.23 0.13 -1.93 -3.41 132.00 136.81 1r4z h PRO 115 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1r4z h PRO 115 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r4z h PRO 115 CO 0.90 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 179.27 1r4z n GLY 116 N -0.29 -1.80 0.34 1.56 0.00 -1.26 -1.17 105.19 102.57 1r4z n GLY 116 Ca -0.01 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.18 1r4z n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r4z n THR 117 N 0.00 1.26 -3.32 2.61 -2.24 0.19 -4.91 114.28 107.87 1r4z n THR 117 Ca 0.00 -1.26 -0.45 0.00 -2.27 0.00 0.00 64.05 60.07 1r4z n THR 117 Cb 0.00 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1r4z n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r4z s ASP 118 N -1.34 6.17 0.52 3.42 -1.08 -1.25 -4.85 116.67 118.26 1r4z s ASP 118 Ca 0.17 -1.36 0.35 0.00 -0.52 0.00 0.00 52.55 51.20 1r4z s ASP 118 Cb 0.12 -2.21 1.87 0.00 -1.46 0.00 0.00 42.92 41.24 1r4z s ASP 118 CO 0.07 -0.76 2.07 1.55 0.52 0.00 0.00 175.17 178.63 1r4z h PRO 119 N 8.85 0.00 -0.01 4.34 0.13 -1.96 -1.79 132.00 141.56 1r4z h PRO 119 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1r4z h PRO 119 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1r4z h PRO 119 CO 0.94 0.00 -0.42 0.09 -0.23 0.00 0.00 178.00 178.37 1r4z n ASN 120 N -2.75 1.33 -3.16 1.44 5.03 -1.26 -4.85 115.26 111.04 1r4z n ASN 120 Ca -0.02 -1.06 0.04 0.00 0.87 0.00 0.00 54.58 54.41 1r4z n ASN 120 Cb 0.08 0.34 -0.01 0.00 -1.02 0.00 0.00 39.78 39.17 1r4z n ASN 120 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1r4z s GLN 121 N -2.58 0.54 0.36 3.52 0.74 -0.67 -5.15 119.66 116.42 1r4z s GLN 121 Ca 0.20 0.97 -0.25 0.00 0.05 0.00 0.00 55.36 56.33 1r4z s GLN 121 Cb 0.18 0.54 -0.10 0.00 1.10 0.00 0.00 33.01 34.74 1r4z s GLN 121 CO 0.59 -0.58 1.00 0.15 -0.55 0.00 0.00 175.29 175.89 1r4z s LYS 122 N 2.87 4.41 0.22 1.67 1.02 -1.26 -4.44 119.74 124.22 1r4z s LYS 122 Ca 0.19 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 1r4z s LYS 122 Cb -0.15 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.38 1r4z s LYS 122 CO -0.20 0.09 1.31 0.42 -0.92 0.00 0.00 175.35 176.05 1r4z s ILE 123 N -1.63 3.12 -0.10 2.17 1.01 -0.32 -4.99 121.20 120.45 1r4z s ILE 123 Ca 0.53 0.95 -0.04 0.00 0.00 0.00 0.00 60.65 62.09 1r4z s ILE 123 Cb -0.20 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1r4z s ILE 123 CO 0.26 0.16 0.06 -0.76 0.00 0.00 0.00 174.94 174.66 1r4z s LEU 124 N -0.38 3.93 0.09 2.97 1.43 -0.72 -4.65 118.68 121.35 1r4z s LEU 124 Ca 0.56 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1r4z s LEU 124 Cb -0.37 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1r4z s LEU 124 CO 0.40 0.39 -0.20 -0.31 0.23 0.00 0.00 176.35 176.87 1r4z s TYR 125 N -0.93 1.69 -0.15 0.29 1.51 0.08 -0.76 117.35 119.07 1r4z s TYR 125 Ca 0.14 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1r4z s TYR 125 Cb -0.12 -0.94 0.05 0.00 -0.11 0.00 0.00 41.96 40.84 1r4z s TYR 125 CO 0.03 0.16 0.04 0.99 -1.11 0.00 0.00 175.55 175.66 1r4z s THR 126 N -1.10 0.35 -0.34 -0.71 2.01 -0.39 -1.25 115.64 114.21 1r4z s THR 126 Ca 0.05 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 1r4z s THR 126 Cb -0.10 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1r4z s THR 126 CO 0.03 -0.09 0.12 -0.55 -0.69 0.00 0.00 174.62 173.45 1r4z s SER 127 N 1.95 5.37 -0.21 3.53 0.15 -0.24 -1.18 113.70 123.07 1r4z s SER 127 Ca 0.01 -1.03 -0.10 0.00 0.70 0.00 0.00 55.95 55.53 1r4z s SER 127 Cb -0.15 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 1r4z s SER 127 CO -0.07 -0.32 0.13 -0.63 1.20 0.00 0.00 173.24 173.55 1r4z s ILE 128 N 1.45 5.32 0.03 6.45 1.01 0.02 -0.69 121.20 134.79 1r4z s ILE 128 Ca -0.00 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 1r4z s ILE 128 Cb -0.19 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1r4z s ILE 128 CO 0.04 0.42 0.21 -0.72 0.00 0.00 0.00 174.94 174.89 1r4z s TYR 129 N 0.55 0.01 -0.07 3.97 1.13 -0.63 -0.16 117.35 122.15 1r4z s TYR 129 Ca 0.07 -0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.58 1r4z s TYR 129 Cb -0.12 -0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1r4z s TYR 129 CO -0.00 -0.42 -0.12 0.45 -2.51 0.00 0.00 175.55 172.96 1r4z s SER 130 N -1.92 4.23 0.13 -0.18 0.15 -1.26 -0.90 113.70 113.95 1r4z s SER 130 Ca -0.07 -0.16 0.17 0.00 0.70 0.00 0.00 55.95 56.58 1r4z s SER 130 Cb -0.02 -1.08 0.74 0.00 -1.71 0.00 0.00 66.02 63.94 1r4z s SER 130 CO -0.02 0.32 1.52 -1.54 1.20 0.00 0.00 173.24 174.71 1r4z n SER 131 N 2.50 0.31 -0.87 5.45 3.41 -0.47 -1.04 113.62 122.91 1r4z n SER 131 Ca -0.18 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1r4z n SER 131 Cb 0.52 -0.65 0.17 0.00 -0.26 0.00 0.00 64.21 64.00 1r4z n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r4z n ALA 132 N -1.63 2.50 -1.80 7.33 0.00 -1.26 -4.89 120.51 120.75 1r4z n ALA 132 Ca 0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1r4z n ALA 132 Cb 0.16 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1r4z n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r4z s ASP 133 N -2.01 5.49 -0.35 0.00 -1.08 -0.21 -4.62 116.67 113.90 1r4z s ASP 133 Ca 0.30 1.42 0.05 0.00 -0.52 0.00 0.00 52.55 53.80 1r4z s ASP 133 Cb 0.20 -2.52 0.59 0.00 -1.46 0.00 0.00 42.92 39.74 1r4z s ASP 133 CO 0.31 -2.01 1.74 0.23 0.52 0.00 0.00 175.17 175.96 1r4z n MET 134 N 8.69 2.50 0.00 4.34 2.81 -1.26 -4.44 117.12 129.77 1r4z n MET 134 Ca 0.27 -2.57 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 1r4z n MET 134 Cb 0.47 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1r4z n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1r4z n ILE 135 N -0.62 0.01 -3.91 2.02 -0.00 -1.26 -5.04 119.36 110.55 1r4z n ILE 135 Ca 0.45 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.86 1r4z n ILE 135 Cb 1.41 -0.76 -0.14 0.00 -0.00 0.00 0.00 39.64 40.15 1r4z n ILE 135 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1r4z s VAL 136 N -2.00 3.03 0.33 1.39 1.01 -1.26 -5.09 120.40 117.80 1r4z s VAL 136 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 1r4z s VAL 136 Cb 0.00 -2.65 -0.12 0.00 0.00 0.00 0.00 36.38 33.61 1r4z s VAL 136 CO 0.00 0.02 1.38 0.23 0.00 0.00 0.00 175.10 176.73 1r4z n MET 137 N 4.66 2.28 -0.05 2.72 2.81 -1.26 -4.87 117.12 123.40 1r4z n MET 137 Ca -0.15 0.80 0.12 0.00 -1.81 0.00 0.00 57.70 56.67 1r4z n MET 137 Cb 0.45 -2.45 0.53 0.00 -0.71 0.00 0.00 33.22 31.04 1r4z n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1r4z h ASN 138 N 3.13 0.31 0.32 7.83 2.35 -1.89 -1.13 115.58 126.49 1r4z h ASN 138 Ca -0.47 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1r4z h ASN 138 Cb 1.27 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 1r4z h ASN 138 CO 0.67 0.19 -0.05 0.10 -1.65 0.00 0.00 177.43 176.68 1r4z h TYR 139 N 0.35 0.00 0.00 1.19 -0.00 -1.95 -0.29 116.97 116.26 1r4z h TYR 139 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.98 1r4z h TYR 139 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.28 1r4z h TYR 139 CO -0.00 0.05 -0.22 -0.07 -0.00 0.00 0.00 178.16 177.92 1r4z h LEU 140 N 0.00 0.00 0.12 0.10 3.38 -1.52 -3.35 115.31 114.04 1r4z h LEU 140 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1r4z h LEU 140 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1r4z h LEU 140 CO 0.01 0.04 -1.87 0.28 0.09 0.00 0.00 178.44 176.98 1r4z h SER 141 N 0.00 0.38 -3.36 -0.43 0.02 -1.05 -0.54 113.55 108.57 1r4z h SER 141 Ca -0.00 -0.77 -0.55 0.00 -0.84 0.00 0.00 61.79 59.63 1r4z h SER 141 Cb 1.03 -0.12 0.10 0.00 0.14 0.00 0.00 62.40 63.54 1r4z h SER 141 CO 0.00 1.68 0.71 0.54 -1.14 0.00 0.00 176.83 178.62 1r4z n ARG 142 N -3.43 2.43 -4.58 3.45 1.74 -0.78 -4.77 116.66 110.72 1r4z n ARG 142 Ca -0.27 0.86 -0.28 0.00 -0.77 0.00 0.00 57.85 57.39 1r4z n ARG 142 Cb 1.05 -2.55 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 1r4z n ARG 142 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r4z s LEU 143 N -0.95 1.75 -0.07 0.55 1.43 -1.26 -4.83 118.68 115.30 1r4z s LEU 143 Ca 0.59 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 1r4z s LEU 143 Cb -0.54 -1.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 1r4z s LEU 143 CO 0.56 0.04 1.94 -1.81 0.23 0.00 0.00 176.35 177.31 1r4z s ASP 144 N 0.84 6.25 0.00 2.29 1.01 0.19 -1.94 116.67 125.30 1r4z s ASP 144 Ca -0.10 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1r4z s ASP 144 Cb -0.15 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1r4z s ASP 144 CO 0.01 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 174.74 1r4z n GLY 145 N 4.77 1.16 3.96 0.21 0.00 -1.26 -1.32 105.19 112.71 1r4z n GLY 145 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1r4z n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4z s ALA 146 N -2.29 3.45 -0.79 4.61 0.00 -0.82 -0.86 121.76 125.06 1r4z s ALA 146 Ca 0.00 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 1r4z s ALA 146 Cb 0.00 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.87 1r4z s ALA 146 CO 0.00 -1.22 1.12 0.50 0.00 0.00 0.00 175.76 176.16 1r4z s ARG 147 N -5.11 3.31 -0.34 0.00 3.52 -0.39 -4.86 118.95 115.09 1r4z s ARG 147 Ca 0.61 -1.02 -0.23 0.00 -0.13 0.00 0.00 55.73 54.96 1r4z s ARG 147 Cb -0.09 -4.55 0.01 0.00 -1.56 0.00 0.00 34.95 28.75 1r4z s ARG 147 CO 0.43 -1.91 0.77 -0.80 -0.81 0.00 0.00 175.30 172.99 1r4z s ASN 148 N 3.86 6.58 -0.25 -2.12 0.01 -1.26 -1.08 114.94 120.69 1r4z s ASN 148 Ca 0.30 0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 52.89 1r4z s ASN 148 Cb -0.10 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.18 1r4z s ASN 148 CO 0.03 -0.68 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.20 1r4z s VAL 149 N 3.02 2.99 -0.22 1.60 1.01 0.13 -4.97 120.40 123.96 1r4z s VAL 149 Ca 0.31 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1r4z s VAL 149 Cb -0.14 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1r4z s VAL 149 CO 0.15 0.23 0.21 -1.58 0.00 0.00 0.00 175.10 174.11 1r4z s GLN 150 N 1.35 4.14 0.48 2.72 0.74 -1.26 -1.60 119.66 126.22 1r4z s GLN 150 Ca 0.01 -0.14 0.04 0.00 0.05 0.00 0.00 55.36 55.32 1r4z s GLN 150 Cb -0.16 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1r4z s GLN 150 CO -0.04 0.12 0.06 0.96 -0.55 0.00 0.00 175.29 175.84 1r4z s ILE 151 N 0.86 1.56 0.24 -2.34 -4.36 -0.08 -4.99 121.20 112.09 1r4z s ILE 151 Ca 0.11 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1r4z s ILE 151 Cb -0.13 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 1r4z s ILE 151 CO 0.03 0.00 0.12 -1.00 0.24 0.00 0.00 174.94 174.33 1r4z s HIS 152 N -2.79 1.39 0.00 1.37 3.76 -1.26 -1.37 115.29 116.39 1r4z s HIS 152 Ca 0.20 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 1r4z s HIS 152 Cb 0.04 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.98 1r4z s HIS 152 CO 0.11 -0.49 0.00 0.41 -0.85 0.00 0.00 174.74 173.92 1r4z n GLY 153 N -0.40 0.77 3.53 -2.22 0.00 -1.26 -4.95 105.19 100.67 1r4z n GLY 153 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1r4z n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r4z s VAL 154 N -2.46 3.64 0.85 1.61 1.01 -1.26 -5.02 120.40 118.77 1r4z s VAL 154 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1r4z s VAL 154 Cb 0.00 -2.52 0.12 0.00 0.00 0.00 0.00 36.38 33.99 1r4z s VAL 154 CO 0.00 0.57 1.21 -0.83 0.00 0.00 0.00 175.10 176.04 1r4z s GLY 155 N -0.41 1.68 0.08 4.51 0.00 -1.26 -3.77 107.32 108.15 1r4z s GLY 155 Ca 0.06 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 43.54 1r4z s GLY 155 CO 0.02 -0.34 1.63 0.84 0.00 0.00 0.00 173.10 175.25 1r4z h HIS 156 N -1.20 -0.79 -0.15 1.90 2.76 -1.92 -2.40 115.15 113.35 1r4z h HIS 156 Ca -0.45 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 57.63 1r4z h HIS 156 Cb 1.29 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.52 1r4z h HIS 156 CO -0.24 -0.46 -0.26 0.82 -1.30 0.00 0.00 177.93 176.49 1r4z h ILE 157 N -0.76 1.25 0.00 6.26 2.04 -2.00 -2.34 117.51 121.95 1r4z h ILE 157 Ca -0.06 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1r4z h ILE 157 Cb 0.62 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1r4z h ILE 157 CO 0.06 0.35 0.00 1.23 0.00 0.00 0.00 178.15 179.80 1r4z h GLY 158 N 0.99 0.00 2.00 5.37 0.00 -1.85 -1.27 103.07 108.31 1r4z h GLY 158 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1r4z h GLY 158 CO 0.04 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.99 1r4z h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -0.93 -1.78 115.31 119.09 1r4z h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r4z h LEU 159 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1r4z h LEU 159 CO 0.00 0.00 -0.10 -0.07 0.09 0.00 0.00 178.44 178.36 1r4z h LEU 160 N 0.00 0.00 -4.89 1.67 3.38 -1.43 -3.36 115.31 110.69 1r4z h LEU 160 Ca -0.00 -0.03 -0.41 0.00 0.09 0.00 0.00 57.88 57.53 1r4z h LEU 160 Cb 0.22 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.57 1r4z h LEU 160 CO 0.00 0.01 -1.07 -1.22 0.09 0.00 0.00 178.44 176.25 1r4z n TYR 161 N -2.44 1.73 -4.65 1.13 4.02 -0.68 -4.16 117.16 112.12 1r4z n TYR 161 Ca 0.05 -2.81 -0.33 0.00 -0.01 0.00 0.00 57.90 54.80 1r4z n TYR 161 Cb 0.46 -0.30 -0.16 0.00 -0.02 0.00 0.00 39.34 39.32 1r4z n TYR 161 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1r4z s SER 162 N -3.28 3.36 0.28 7.72 0.15 -1.16 -5.01 113.70 115.75 1r4z s SER 162 Ca 0.33 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 1r4z s SER 162 Cb 0.43 -1.50 0.40 0.00 -1.71 0.00 0.00 66.02 63.65 1r4z s SER 162 CO -0.02 0.09 1.85 0.77 1.20 0.00 0.00 173.24 177.13 1r4z h SER 163 N 7.26 0.83 -0.06 5.45 4.64 -1.95 0.24 113.55 129.96 1r4z h SER 163 Ca -0.31 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1r4z h SER 163 Cb 1.19 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1r4z h SER 163 CO 0.55 0.76 0.04 -0.61 -0.87 0.00 0.00 176.83 176.70 1r4z h GLN 164 N 0.88 0.09 -0.51 4.77 5.75 -1.99 -1.20 115.11 122.90 1r4z h GLN 164 Ca 0.21 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1r4z h GLN 164 Cb 0.20 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1r4z h GLN 164 CO -0.02 0.12 0.30 0.28 -2.65 0.00 0.00 178.83 176.87 1r4z h VAL 165 N 0.03 1.16 -0.61 2.39 2.07 -1.77 -2.67 116.25 116.84 1r4z h VAL 165 Ca 0.02 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.28 1r4z h VAL 165 Cb 0.06 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 1r4z h VAL 165 CO -0.00 0.16 0.21 0.78 0.02 0.00 0.00 177.57 178.74 1r4z h ASN 166 N 0.68 0.19 -0.62 0.57 2.35 -0.18 -0.26 115.58 118.31 1r4z h ASN 166 Ca 0.18 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1r4z h ASN 166 Cb -0.00 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1r4z h ASN 166 CO -0.03 0.11 0.34 0.77 -1.65 0.00 0.00 177.43 176.97 1r4z h SER 167 N 0.38 0.79 0.80 5.81 4.64 -0.91 -1.44 113.55 123.62 1r4z h SER 167 Ca 0.31 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1r4z h SER 167 Cb 0.40 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1r4z h SER 167 CO -0.32 0.64 -0.62 -0.07 -0.87 0.00 0.00 176.83 175.59 1r4z h LEU 168 N 0.89 0.00 -0.24 5.97 3.38 -0.97 -1.65 115.31 122.68 1r4z h LEU 168 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1r4z h LEU 168 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1r4z h LEU 168 CO -0.04 0.62 -0.12 0.40 0.09 0.00 0.00 178.44 179.39 1r4z h ILE 169 N 0.00 1.30 -0.10 1.22 2.04 -0.40 -1.21 117.51 120.37 1r4z h ILE 169 Ca -0.01 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1r4z h ILE 169 Cb 1.19 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1r4z h ILE 169 CO 0.08 0.37 -0.02 0.50 0.00 0.00 0.00 178.15 179.08 1r4z h LYS 170 N 0.23 0.01 -0.99 2.37 3.64 -1.14 0.58 116.57 121.27 1r4z h LYS 170 Ca 0.05 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1r4z h LYS 170 Cb 0.62 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1r4z h LYS 170 CO 0.04 0.00 0.64 0.93 -2.27 0.00 0.00 179.45 178.79 1r4z h GLU 171 N 0.01 1.15 -0.35 1.90 5.08 -1.23 -0.87 114.58 120.27 1r4z h GLU 171 Ca 0.05 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1r4z h GLU 171 Cb 0.07 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1r4z h GLU 171 CO -0.09 0.76 -0.20 0.78 -1.00 0.00 0.00 179.01 179.26 1r4z h GLY 172 N 1.19 0.81 2.00 -3.84 0.00 -0.61 0.51 103.07 103.12 1r4z h GLY 172 Ca 0.42 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1r4z h GLY 172 CO -0.16 0.68 0.00 1.41 0.00 0.00 0.00 176.54 178.47 1r4z h LEU 173 N 0.53 0.00 -2.68 3.11 3.38 -0.48 -2.41 115.31 116.75 1r4z h LEU 173 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1r4z h LEU 173 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1r4z h LEU 173 CO 0.06 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.18 1r4z n ASN 174 N -2.52 4.14 0.00 -0.43 5.03 -0.37 -4.89 115.26 116.22 1r4z n ASN 174 Ca 0.02 -2.51 0.00 0.00 0.87 0.00 0.00 54.58 52.96 1r4z n ASN 174 Cb 0.30 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 1r4z n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r4z n GLY 175 N 0.71 0.62 0.00 7.41 0.00 -0.91 -4.94 105.19 108.09 1r4z n GLY 175 Ca 0.20 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1r4z n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4z n GLY 176 N -2.75 -0.95 3.76 -0.02 0.00 0.18 -4.84 105.19 100.58 1r4z n GLY 176 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1r4z n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4z s GLY 177 N -1.87 1.70 0.16 -0.02 0.00 -1.26 -4.79 107.32 101.24 1r4z s GLY 177 Ca 0.39 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.93 1r4z s GLY 177 CO 0.30 -0.29 0.12 1.20 0.00 0.00 0.00 173.10 174.43 1r4z s GLN 178 N -5.71 1.07 -0.45 2.90 -0.21 -0.38 -4.71 119.66 112.17 1r4z s GLN 178 Ca 0.74 -1.49 0.04 0.00 0.02 0.00 0.00 55.36 54.67 1r4z s GLN 178 Cb -0.06 0.27 0.19 0.00 1.00 0.00 0.00 33.01 34.42 1r4z s GLN 178 CO 0.55 -0.34 0.79 1.21 -2.12 0.00 0.00 175.29 175.38 1r4z s ASN 179 N -3.09 -1.19 0.00 5.90 3.84 -0.97 -0.74 114.94 118.69 1r4z s ASN 179 Ca 0.29 -1.18 0.25 0.00 0.21 0.00 0.00 52.86 52.44 1r4z s ASN 179 Cb 0.07 1.55 1.28 0.00 -0.55 0.00 0.00 41.25 43.60 1r4z s ASN 179 CO 0.06 -0.07 1.84 0.35 -2.79 0.00 0.00 177.10 176.49 1r4z n THR 180 N 3.27 0.19 0.00 -5.21 -2.24 -0.04 -5.01 114.28 105.23 1r4z n THR 180 Ca 0.14 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1r4z n THR 180 Cb 0.58 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1r4z n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09