#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 4.75 0.57 0.41 0.01 -1.26 -4.96 114.94 114.46 1r4z s ASN 4 Ca 0.00 1.90 -0.20 0.00 -0.71 0.00 0.00 52.86 53.85 1r4z s ASN 4 Cb 0.00 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1r4z s ASN 4 CO 0.00 -1.87 1.23 -2.84 -1.51 0.00 0.00 177.10 172.11 1r4z s PRO 5 N -4.57 3.08 -0.18 -0.60 0.02 -1.26 -4.69 135.00 126.81 1r4z s PRO 5 Ca 0.64 1.89 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 1r4z s PRO 5 Cb -0.19 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 1r4z s PRO 5 CO 0.50 -1.14 -0.05 0.08 -0.33 0.00 0.00 177.00 176.06 1r4z s VAL 6 N -1.53 3.62 -0.22 3.83 1.01 0.18 -0.95 120.40 126.35 1r4z s VAL 6 Ca 0.75 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1r4z s VAL 6 Cb -0.32 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1r4z s VAL 6 CO 0.36 0.47 0.01 -0.69 0.00 0.00 0.00 175.10 175.24 1r4z s VAL 7 N 0.75 3.89 -0.18 2.92 1.01 -0.21 -0.14 120.40 128.44 1r4z s VAL 7 Ca -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1r4z s VAL 7 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1r4z s VAL 7 CO 0.02 0.40 0.13 -0.04 0.00 0.00 0.00 175.10 175.61 1r4z s MET 8 N 1.27 3.97 -0.24 2.72 -1.94 0.73 -1.93 119.30 123.89 1r4z s MET 8 Ca 0.04 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.83 1r4z s MET 8 Cb -0.15 -3.34 0.04 0.00 2.01 0.00 0.00 34.83 33.40 1r4z s MET 8 CO 0.01 0.42 -0.13 0.08 -0.01 0.00 0.00 175.02 175.39 1r4z s VAL 9 N -0.00 2.21 0.84 -6.03 1.01 0.12 -1.94 120.40 116.62 1r4z s VAL 9 Ca 0.09 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 1r4z s VAL 9 Cb -0.11 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.19 1r4z s VAL 9 CO -0.00 0.17 1.18 -1.38 0.00 0.00 0.00 175.10 175.06 1r4z s HIS 10 N 1.18 2.78 0.00 5.22 -3.43 -1.26 -1.15 115.29 118.63 1r4z s HIS 10 Ca -0.04 0.75 0.00 0.00 -0.80 0.00 0.00 55.06 54.98 1r4z s HIS 10 Cb -0.18 -3.50 0.00 0.00 -1.43 0.00 0.00 32.58 27.47 1r4z s HIS 10 CO -0.07 -1.96 0.00 0.41 -2.00 0.00 0.00 174.74 171.11 1r4z n GLY 11 N -3.07 1.70 3.67 -1.38 0.00 -1.15 -3.38 105.19 101.58 1r4z n GLY 11 Ca 0.08 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 1.04 2.81 0.00 -0.61 1.01 -1.26 -0.88 121.20 123.32 1r4z s ILE 12 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1r4z s ILE 12 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1r4z s ILE 12 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1r4z n GLY 13 N 4.39 0.74 0.00 6.18 0.00 -1.26 -5.01 105.19 110.23 1r4z n GLY 13 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1r4z n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4z n GLY 14 N -2.24 -0.43 3.57 -0.02 0.00 -0.05 -5.13 105.19 100.89 1r4z n GLY 14 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1r4z n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4z s ALA 15 N -3.56 -1.56 0.52 4.61 0.00 -1.26 -4.86 121.76 115.64 1r4z s ALA 15 Ca 0.00 0.37 0.21 0.00 0.00 0.00 0.00 51.96 52.54 1r4z s ALA 15 Cb 0.00 0.77 1.32 0.00 0.00 0.00 0.00 23.12 25.21 1r4z s ALA 15 CO 0.00 -0.84 2.05 0.66 0.00 0.00 0.00 175.76 177.63 1r4z h SER 16 N 2.00 0.03 0.16 0.00 4.64 -1.90 -0.70 113.55 117.78 1r4z h SER 16 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1r4z h SER 16 Cb 1.28 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1r4z h SER 16 CO 0.32 0.02 0.00 -0.26 -0.87 0.00 0.00 176.83 176.04 1r4z h PHE 17 N 0.03 0.00 0.00 4.77 0.04 -1.95 -2.21 116.94 117.62 1r4z h PHE 17 Ca 0.16 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1r4z h PHE 17 Cb 0.58 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 1r4z h PHE 17 CO -0.00 0.00 -0.03 -0.91 -0.60 0.00 0.00 178.31 176.77 1r4z h ASN 18 N 0.00 0.00 -0.54 2.17 2.35 -1.53 -2.57 115.58 115.45 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 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1r4z h ASN 18 CO 0.00 0.03 0.00 0.49 -1.65 0.00 0.00 177.43 176.30 1r4z n PHE 19 N -3.45 1.22 -0.13 1.19 3.72 -0.83 -4.53 117.46 114.65 1r4z n PHE 19 Ca -0.02 -0.49 -0.04 0.00 -0.05 0.00 0.00 57.45 56.84 1r4z n PHE 19 Cb 0.14 -0.20 0.04 0.00 -0.94 0.00 0.00 39.48 38.51 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 3.89 0.50 -0.35 4.37 0.00 -1.65 0.12 119.26 126.12 1r4z h ALA 20 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1r4z h ALA 20 Cb 1.23 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1r4z h ALA 20 CO 0.19 -0.28 0.15 0.78 0.00 0.00 0.00 179.25 180.09 1r4z h GLY 21 N 0.27 0.56 1.21 0.00 0.00 -1.81 -1.37 103.07 101.93 1r4z h GLY 21 Ca 0.21 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1r4z h GLY 21 CO -0.24 0.28 -0.02 -2.22 0.00 0.00 0.00 176.54 174.34 1r4z h ILE 22 N 0.43 1.26 0.10 2.60 2.04 -1.64 -1.27 117.51 121.03 1r4z h ILE 22 Ca 0.12 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1r4z h ILE 22 Cb 0.16 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1r4z h ILE 22 CO -0.01 0.40 -0.05 0.11 0.00 0.00 0.00 178.15 178.60 1r4z h LYS 23 N 0.87 -0.13 -0.80 2.37 1.57 -0.61 -1.34 116.57 118.50 1r4z h LYS 23 Ca 0.16 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1r4z h LYS 23 Cb 0.54 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 1r4z h LYS 23 CO 0.03 -0.04 0.46 0.77 -0.57 0.00 0.00 179.45 180.10 1r4z h SER 24 N -0.18 0.69 0.02 0.86 0.02 -1.08 -0.50 113.55 113.38 1r4z h SER 24 Ca -0.01 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1r4z h SER 24 Cb 0.15 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1r4z h SER 24 CO 0.02 0.41 -0.01 0.22 -1.14 0.00 0.00 176.83 176.34 1r4z h TYR 25 N 0.81 -0.02 -0.88 3.45 3.20 -1.00 -1.31 116.97 121.22 1r4z h TYR 25 Ca 0.37 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1r4z h TYR 25 Cb 0.28 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1r4z h TYR 25 CO -0.06 0.08 0.49 -0.07 -1.64 0.00 0.00 178.16 176.97 1r4z h LEU 26 N -0.13 1.09 -0.51 2.82 3.38 -0.78 -1.02 115.31 120.16 1r4z h LEU 26 Ca -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1r4z h LEU 26 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1r4z h LEU 26 CO 0.00 0.86 0.30 0.58 0.09 0.00 0.00 178.44 180.28 1r4z h VAL 27 N 1.23 1.17 0.00 1.22 2.07 -0.94 -0.38 116.25 120.60 1r4z h VAL 27 Ca 0.31 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1r4z h VAL 27 Cb 0.01 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1r4z h VAL 27 CO -0.05 0.17 -0.07 0.28 0.02 0.00 0.00 177.57 177.92 1r4z h SER 28 N 0.69 0.00 -0.13 0.57 0.02 -0.58 -1.97 113.55 112.15 1r4z h SER 28 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1r4z h SER 28 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1r4z h SER 28 CO -0.03 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 1r4z n GLN 29 N -4.39 1.67 0.00 3.45 1.13 -0.45 -4.92 117.38 113.87 1r4z n GLN 29 Ca -0.03 -1.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.04 1r4z n GLN 29 Cb 0.15 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.10 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 1.11 1.01 3.75 1.08 0.00 -0.74 -5.06 105.19 106.35 1r4z n GLY 30 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 0.23 1.61 0.51 -0.27 -4.99 118.94 117.57 1r4z s TRP 31 Ca 0.00 1.59 -0.30 0.00 -2.12 0.00 0.00 56.10 55.28 1r4z s TRP 31 Cb 0.00 -3.33 -0.09 0.00 -0.81 0.00 0.00 33.47 29.24 1r4z s TRP 31 CO 0.00 -0.77 1.12 -1.12 -0.51 0.00 0.00 176.95 175.67 1r4z s SER 32 N -0.40 7.23 0.37 2.95 0.01 -1.26 -4.15 113.70 118.44 1r4z s SER 32 Ca 0.48 2.22 0.04 0.00 1.31 0.00 0.00 55.95 60.00 1r4z s SER 32 Cb -0.32 -2.62 0.72 0.00 0.21 0.00 0.00 66.02 64.02 1r4z s SER 32 CO 0.39 -0.21 2.01 0.03 0.41 0.00 0.00 173.24 175.86 1r4z h ARG 33 N 4.47 0.73 0.00 12.44 3.08 -1.95 -1.13 114.38 132.03 1r4z h ARG 33 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1r4z h ARG 33 Cb 1.21 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1r4z h ARG 33 CO 0.70 0.48 0.00 -0.40 -1.07 0.00 0.00 179.97 179.68 1r4z n ASP 34 N -4.46 0.00 -0.39 7.04 5.75 -1.26 -2.49 116.55 120.74 1r4z n ASP 34 Ca 0.07 -0.26 0.05 0.00 -0.01 0.00 0.00 54.79 54.64 1r4z n ASP 34 Cb 0.09 -0.15 0.13 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.15 2.62 -3.96 0.11 5.02 -0.43 -4.92 118.16 115.45 1r4z n LYS 35 Ca 0.11 -2.15 -0.34 0.00 -2.02 0.00 0.00 58.31 53.91 1r4z n LYS 35 Cb 0.11 -1.35 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 1r4z n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r4z s LEU 36 N -1.73 3.15 0.18 -0.35 1.43 -1.04 -0.65 118.68 119.68 1r4z s LEU 36 Ca 0.22 -0.84 0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1r4z s LEU 36 Cb 0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1r4z s LEU 36 CO 0.07 -0.12 -0.20 -0.31 0.23 0.00 0.00 176.35 176.02 1r4z s TYR 37 N 1.33 2.02 -0.05 0.29 1.51 0.80 -4.98 117.35 118.27 1r4z s TYR 37 Ca 0.01 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1r4z s TYR 37 Cb -0.16 -0.99 0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1r4z s TYR 37 CO -0.05 0.42 0.10 0.00 -1.11 0.00 0.00 175.55 174.92 1r4z s ALA 38 N -1.97 -0.07 0.60 3.71 0.00 -1.26 -0.19 121.76 122.59 1r4z s ALA 38 Ca 0.19 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 1r4z s ALA 38 Cb -0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1r4z s ALA 38 CO 0.08 -0.30 0.98 0.54 0.00 0.00 0.00 175.76 177.06 1r4z s VAL 39 N 1.58 4.42 -0.16 0.00 0.11 -0.82 -4.87 120.40 120.67 1r4z s VAL 39 Ca -0.04 0.57 -0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1r4z s VAL 39 Cb -0.12 -3.76 0.03 0.00 -1.53 0.00 0.00 36.38 31.01 1r4z s VAL 39 CO -0.05 -0.92 -0.08 -1.81 -3.33 0.00 0.00 175.10 168.91 1r4z s ASP 40 N -4.21 2.74 0.04 3.54 1.01 -1.26 -3.92 116.67 114.61 1r4z s ASP 40 Ca 0.54 -0.59 -0.13 0.00 0.71 0.00 0.00 52.55 53.08 1r4z s ASP 40 Cb -0.11 -0.98 -0.06 0.00 1.01 0.00 0.00 42.92 42.78 1r4z s ASP 40 CO 0.51 -0.14 0.41 -0.36 0.21 0.00 0.00 175.17 175.79 1r4z s PHE 41 N 1.59 3.67 -0.36 4.23 0.08 -1.26 -4.99 117.98 120.93 1r4z s PHE 41 Ca 0.02 0.91 0.22 0.00 0.12 0.00 0.00 56.93 58.20 1r4z s PHE 41 Cb -0.14 -2.24 -0.29 0.00 -0.57 0.00 0.00 43.02 39.78 1r4z s PHE 41 CO -0.08 0.59 0.64 -2.67 -0.10 0.00 0.00 175.22 173.59 1r4z n TRP 42 N 1.42 0.01 -2.30 0.36 4.27 -1.26 -4.87 117.44 115.08 1r4z n TRP 42 Ca -0.11 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.08 1r4z n TRP 42 Cb 0.52 -0.34 -0.02 0.00 -1.36 0.00 0.00 31.31 30.11 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 -4.01 6.11 0.00 -0.67 -1.08 -1.26 -4.86 116.67 110.90 1r4z s ASP 43 Ca -0.02 0.64 0.14 0.00 -0.52 0.00 0.00 52.55 52.78 1r4z s ASP 43 Cb 0.15 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.74 1r4z s ASP 43 CO 0.89 -1.65 1.40 0.29 0.52 0.00 0.00 175.17 176.63 1r4z n LYS 44 N 8.43 0.13 0.00 4.34 4.76 -1.26 -1.65 118.16 132.92 1r4z n LYS 44 Ca 0.16 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.88 1r4z n LYS 44 Cb 0.49 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.36 0.00 -2.17 -0.18 -2.24 -1.26 -4.24 114.28 102.82 1r4z n THR 45 Ca 0.06 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1r4z n THR 45 Cb 0.13 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.44 0.06 3.76 3.38 0.00 -0.66 -4.94 105.19 108.23 1r4z n GLY 46 Ca 0.04 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.84 2.32 0.24 2.61 -4.23 -1.26 -4.84 115.64 107.64 1r4z s THR 47 Ca 0.00 0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 1r4z s THR 47 Cb 0.00 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 70.92 1r4z s THR 47 CO 0.00 0.01 1.87 0.78 -0.54 0.00 0.00 174.62 176.74 1r4z h ASN 48 N 1.89 1.09 -0.86 3.99 2.35 -1.94 -0.84 115.58 121.27 1r4z h ASN 48 Ca -0.50 -0.09 0.19 0.00 -0.55 0.00 0.00 56.30 55.34 1r4z h ASN 48 Cb 1.28 -0.28 -0.11 0.00 0.05 0.00 0.00 38.32 39.26 1r4z h ASN 48 CO 0.59 0.87 0.39 0.22 -1.65 0.00 0.00 177.43 177.85 1r4z h TYR 49 N 1.23 0.66 0.07 1.19 3.20 -2.00 0.16 116.97 121.48 1r4z h TYR 49 Ca 0.31 0.04 -0.35 0.00 3.14 0.00 0.00 58.73 61.87 1r4z h TYR 49 Cb 0.02 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1r4z h TYR 49 CO 0.01 0.04 -1.98 0.09 -1.64 0.00 0.00 178.16 174.68 1r4z n ASN 50 N -4.99 2.05 0.07 -2.11 3.02 -1.09 -4.46 115.26 107.75 1r4z n ASN 50 Ca 0.19 0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.88 1r4z n ASN 50 Cb 0.55 -0.81 0.09 0.00 -0.61 0.00 0.00 39.78 39.00 1r4z n ASN 50 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1r4z h ASN 51 N -0.20 0.34 0.03 6.41 4.21 -1.06 -3.20 115.58 122.11 1r4z h ASN 51 Ca -0.45 -0.20 0.03 0.00 1.21 0.00 0.00 56.30 56.88 1r4z h ASN 51 Cb 1.85 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 38.91 1r4z h ASN 51 CO -0.03 0.89 -0.25 1.23 -1.29 0.00 0.00 177.43 177.98 1r4z h GLY 52 N 1.42 -0.40 0.90 2.83 0.00 -0.88 -0.55 103.07 106.40 1r4z h GLY 52 Ca -0.01 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1r4z h GLY 52 CO 0.10 -0.21 0.52 -2.55 0.00 0.00 0.00 176.54 174.41 1r4z h PRO 53 N -0.40 1.00 -0.26 4.80 0.11 -1.77 0.74 132.00 136.22 1r4z h PRO 53 Ca 0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1r4z h PRO 53 Cb 0.47 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1r4z h PRO 53 CO -0.20 0.66 0.17 0.28 -0.21 0.00 0.00 178.00 178.70 1r4z h VAL 54 N 1.03 1.06 -0.60 3.15 2.07 -1.48 -1.07 116.25 120.41 1r4z h VAL 54 Ca 0.32 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1r4z h VAL 54 Cb -0.02 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1r4z h VAL 54 CO -0.10 0.06 0.30 0.25 0.02 0.00 0.00 177.57 178.10 1r4z h LEU 55 N 0.35 0.78 -0.35 2.57 5.85 -0.69 -0.58 115.31 123.24 1r4z h LEU 55 Ca 0.09 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1r4z h LEU 55 Cb -0.04 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1r4z h LEU 55 CO -0.02 0.68 0.15 -1.28 -0.34 0.00 0.00 178.44 177.63 1r4z h SER 56 N 0.82 0.19 -0.27 1.25 0.87 -0.45 0.23 113.55 116.20 1r4z h SER 56 Ca 0.21 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 1r4z h SER 56 Cb 0.10 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1r4z h SER 56 CO -0.03 0.15 -0.20 0.03 -0.53 0.00 0.00 176.83 176.26 1r4z h ARG 57 N 0.31 0.73 -0.04 2.24 3.08 -1.00 -1.91 114.38 117.80 1r4z h ARG 57 Ca 0.15 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1r4z h ARG 57 Cb 0.10 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1r4z h ARG 57 CO -0.13 0.87 0.01 0.35 -1.07 0.00 0.00 179.97 180.01 1r4z h PHE 58 N 0.65 0.05 -0.70 3.04 3.57 -0.58 -1.31 116.94 121.65 1r4z h PHE 58 Ca 0.10 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1r4z h PHE 58 Cb 0.68 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1r4z h PHE 58 CO 0.03 0.19 0.46 0.28 -2.23 0.00 0.00 178.31 177.04 1r4z h VAL 59 N -0.10 1.18 -0.93 1.41 2.07 -0.90 -0.58 116.25 118.41 1r4z h VAL 59 Ca 0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1r4z h VAL 59 Cb 0.16 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1r4z h VAL 59 CO -0.00 0.18 0.54 -0.61 0.02 0.00 0.00 177.57 177.70 1r4z h GLN 60 N 0.95 1.28 -0.33 1.57 5.75 -1.19 0.44 115.11 123.59 1r4z h GLN 60 Ca 0.26 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1r4z h GLN 60 Cb -0.11 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.17 1r4z h GLN 60 CO -0.06 0.91 0.16 -0.22 -2.65 0.00 0.00 178.83 176.98 1r4z h LYS 61 N 1.29 0.47 -0.72 1.69 3.64 -0.59 -0.52 116.57 121.83 1r4z h LYS 61 Ca 0.33 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1r4z h LYS 61 Cb -0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1r4z h LYS 61 CO -0.06 0.43 0.46 0.28 -2.27 0.00 0.00 179.45 178.29 1r4z h VAL 62 N 0.40 1.19 -0.67 2.00 2.07 -0.46 -1.24 116.25 119.55 1r4z h VAL 62 Ca 0.11 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1r4z h VAL 62 Cb 0.11 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1r4z h VAL 62 CO -0.02 0.19 0.15 -0.07 0.02 0.00 0.00 177.57 177.84 1r4z h LEU 63 N 0.97 1.03 -0.46 2.57 3.38 -0.64 -1.41 115.31 120.76 1r4z h LEU 63 Ca 0.26 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1r4z h LEU 63 Cb -0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1r4z h LEU 63 CO -0.05 1.00 0.08 0.44 0.09 0.00 0.00 178.44 180.00 1r4z h ASP 64 N 1.00 0.73 -0.18 -0.43 3.32 -0.75 0.24 116.42 120.35 1r4z h ASP 64 Ca 0.21 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1r4z h ASP 64 Cb 0.39 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1r4z h ASP 64 CO 0.01 0.80 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.91 1r4z h GLU 65 N 0.62 0.37 0.00 3.56 5.08 -1.12 -3.28 114.58 119.81 1r4z h GLU 65 Ca 0.14 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1r4z h GLU 65 Cb 0.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1r4z h GLU 65 CO 0.01 0.67 -0.87 1.79 -1.00 0.00 0.00 179.01 179.61 1r4z h THR 66 N 0.06 1.02 0.00 1.13 1.35 -1.29 -3.47 112.91 111.71 1r4z h THR 66 Ca 0.04 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1r4z h THR 66 Cb 0.56 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1r4z h THR 66 CO 0.03 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1r4z n GLY 67 N 1.31 0.76 3.76 5.82 0.00 0.84 -5.01 105.19 112.66 1r4z n GLY 67 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.96 2.36 0.02 4.61 0.00 -1.21 -4.98 121.76 119.60 1r4z s ALA 68 Ca 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1r4z s ALA 68 Cb 0.00 -3.33 -0.35 0.00 0.00 0.00 0.00 23.12 19.44 1r4z s ALA 68 CO 0.00 -1.48 0.97 -0.22 0.00 0.00 0.00 175.76 175.03 1r4z h LYS 69 N -0.29 0.52 -4.17 0.00 3.64 -1.95 -3.45 116.57 110.86 1r4z h LYS 69 Ca -0.46 -0.88 -0.15 0.00 -1.27 0.00 0.00 60.65 57.89 1r4z h LYS 69 Cb 1.25 0.33 -0.14 0.00 -0.41 0.00 0.00 32.23 33.26 1r4z h LYS 69 CO 0.53 1.42 -0.47 0.15 -2.27 0.00 0.00 179.45 178.81 1r4z s LYS 70 N -2.58 1.10 0.31 1.90 1.02 -1.26 -4.79 119.74 115.44 1r4z s LYS 70 Ca -0.10 -1.34 0.10 0.00 0.02 0.00 0.00 55.97 54.65 1r4z s LYS 70 Cb 0.04 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.61 1r4z s LYS 70 CO 0.93 -0.37 -0.14 0.14 -0.92 0.00 0.00 175.35 174.99 1r4z s VAL 71 N -4.03 2.29 0.17 3.17 -7.23 -0.33 -4.21 120.40 110.23 1r4z s VAL 71 Ca 0.23 -2.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1r4z s VAL 71 Cb 0.05 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1r4z s VAL 71 CO 0.03 -0.31 0.14 -1.81 -0.31 0.00 0.00 175.10 172.84 1r4z s ASP 72 N -3.54 5.52 -0.02 4.85 1.01 -0.12 -1.08 116.67 123.29 1r4z s ASP 72 Ca 0.31 -0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.46 1r4z s ASP 72 Cb -0.01 -1.44 -0.00 0.00 1.01 0.00 0.00 42.92 42.48 1r4z s ASP 72 CO 0.15 0.06 -0.11 -0.63 0.21 0.00 0.00 175.17 174.85 1r4z s ILE 73 N -1.78 0.90 -0.20 0.77 1.01 0.43 -1.04 121.20 121.28 1r4z s ILE 73 Ca 0.31 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1r4z s ILE 73 Cb -0.10 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.65 1r4z s ILE 73 CO 0.23 0.26 -0.13 -0.69 0.00 0.00 0.00 174.94 174.62 1r4z s VAL 74 N -0.11 1.82 0.10 2.92 1.01 -0.81 -0.38 120.40 124.96 1r4z s VAL 74 Ca 0.02 -1.09 0.10 0.00 0.00 0.00 0.00 61.98 61.01 1r4z s VAL 74 Cb -0.06 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1r4z s VAL 74 CO -0.00 0.23 -0.25 0.00 0.00 0.00 0.00 175.10 175.08 1r4z s ALA 75 N 1.32 2.19 -0.04 5.51 0.00 0.14 -0.70 121.76 130.18 1r4z s ALA 75 Ca -0.01 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1r4z s ALA 75 Cb -0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1r4z s ALA 75 CO -0.09 0.49 -0.21 -1.58 0.00 0.00 0.00 175.76 174.37 1r4z s HIS 76 N -1.02 2.01 0.00 0.00 5.65 -0.30 0.52 115.29 122.15 1r4z s HIS 76 Ca 0.12 -0.53 0.00 0.00 0.25 0.00 0.00 55.06 54.90 1r4z s HIS 76 Cb -0.10 -1.32 0.00 0.00 -1.18 0.00 0.00 32.58 29.98 1r4z s HIS 76 CO 0.05 -0.14 0.00 0.45 -0.65 0.00 0.00 174.74 174.44 1r4z n SER 77 N 2.90 0.00 0.19 9.88 2.88 -0.88 -0.56 113.62 128.04 1r4z n SER 77 Ca -0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1r4z n SER 77 Cb 0.52 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.68 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 -0.05 -1.46 1.85 -1.85 -1.31 114.93 112.11 1r4z h MET 78 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1r4z h MET 78 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 1r4z h MET 78 CO 0.00 0.00 0.03 0.78 -0.40 0.00 0.00 176.91 177.32 1r4z h GLY 79 N 0.27 0.07 0.95 1.39 0.00 -0.84 -1.02 103.07 103.89 1r4z h GLY 79 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1r4z h GLY 79 CO 0.00 0.02 -0.14 -1.33 0.00 0.00 0.00 176.54 175.10 1r4z h GLY 80 N 0.07 0.77 1.05 4.60 0.00 -1.42 -0.77 103.07 107.37 1r4z h GLY 80 Ca 0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 1r4z h GLY 80 CO -0.00 0.61 0.16 0.00 0.00 0.00 0.00 176.54 177.31 1r4z h ALA 81 N 0.79 0.89 -0.58 3.60 0.00 -1.48 -1.51 119.26 120.97 1r4z h ALA 81 Ca 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1r4z h ALA 81 Cb 0.66 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1r4z h ALA 81 CO 0.04 0.60 0.10 -0.91 0.00 0.00 0.00 179.25 179.09 1r4z h ASN 82 N 1.00 0.87 -0.10 0.00 2.35 -1.08 -1.26 115.58 117.37 1r4z h ASN 82 Ca 0.21 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1r4z h ASN 82 Cb 0.37 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1r4z h ASN 82 CO 0.00 0.88 0.03 0.74 -1.65 0.00 0.00 177.43 177.43 1r4z h THR 83 N 0.88 1.18 -0.39 2.81 2.02 -0.80 -1.11 112.91 117.50 1r4z h THR 83 Ca 0.18 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1r4z h THR 83 Cb 0.37 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1r4z h THR 83 CO 0.01 0.16 0.16 -0.07 0.37 0.00 0.00 175.52 176.15 1r4z h LEU 84 N -0.03 0.49 -0.43 2.58 3.38 -1.12 -1.39 115.31 118.79 1r4z h LEU 84 Ca 0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1r4z h LEU 84 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1r4z h LEU 84 CO -0.00 0.45 -0.09 0.22 0.09 0.00 0.00 178.44 179.10 1r4z h TYR 85 N 0.55 0.93 -0.73 1.13 3.20 -0.99 0.29 116.97 121.34 1r4z h TYR 85 Ca 0.14 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1r4z h TYR 85 Cb 0.10 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1r4z h TYR 85 CO 0.00 0.93 0.48 -0.92 -1.64 0.00 0.00 178.16 177.02 1r4z h TYR 86 N 0.66 0.91 -0.16 -3.82 3.20 -0.45 0.23 116.97 117.54 1r4z h TYR 86 Ca 0.11 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 1r4z h TYR 86 Cb 0.62 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1r4z h TYR 86 CO 0.05 0.56 -0.50 0.82 -1.64 0.00 0.00 178.16 177.45 1r4z h ILE 87 N 0.97 1.33 0.07 1.81 2.04 -1.07 -1.63 117.51 121.04 1r4z h ILE 87 Ca 0.28 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1r4z h ILE 87 Cb -0.08 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1r4z h ILE 87 CO -0.07 0.54 -0.03 0.50 0.00 0.00 0.00 178.15 179.09 1r4z h LYS 88 N 0.28 -0.09 0.00 2.37 3.64 -0.20 -3.22 116.57 119.34 1r4z h LYS 88 Ca -0.02 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1r4z h LYS 88 Cb 1.12 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1r4z h LYS 88 CO 0.11 0.47 -1.88 0.09 -2.27 0.00 0.00 179.45 175.96 1r4z n ASN 89 N -4.79 0.28 0.00 4.20 4.13 0.80 -5.00 115.26 114.88 1r4z n ASN 89 Ca -0.07 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1r4z n ASN 89 Cb 0.29 1.14 0.00 0.00 -1.54 0.00 0.00 39.78 39.67 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 -2.58 0.00 -1.62 3.41 4.77 -1.02 -5.03 117.00 114.93 1r4z n LEU 90 Ca -0.13 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1r4z n LEU 90 Cb 0.80 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.25 1r4z n LEU 90 CO 0.44 0.00 0.83 -0.90 -1.33 0.00 0.00 177.39 176.43 1r4z n ASP 91 N 0.00 5.18 0.03 -1.43 5.75 -1.20 -4.56 116.55 120.32 1r4z n ASP 91 Ca 0.00 -2.88 0.14 0.00 -0.01 0.00 0.00 54.79 52.04 1r4z n ASP 91 Cb 0.00 -0.64 0.53 0.00 -1.03 0.00 0.00 41.12 39.99 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 0.43 -1.55 0.39 6.12 0.00 -0.64 -4.15 105.19 105.80 1r4z n GLY 92 Ca 0.26 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.39 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 4.85 0.00 -0.10 -0.02 0.00 -1.75 -2.05 103.07 103.99 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 -0.05 1.16 0.00 0.00 0.00 176.54 177.65 1r4z n ASN 94 N -3.66 1.87 0.00 0.19 6.94 -1.26 -0.52 115.26 118.82 1r4z n ASN 94 Ca 0.08 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 1r4z n ASN 94 Cb 0.66 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 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 -0.93 -0.69 -5.23 -3.83 5.02 -0.78 -4.90 118.16 106.83 1r4z n LYS 95 Ca 0.09 -0.55 -0.31 0.00 -2.02 0.00 0.00 58.31 55.51 1r4z n LYS 95 Cb 0.52 -0.98 -0.16 0.00 -0.02 0.00 0.00 35.03 34.39 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 -0.07 2.22 -0.07 -0.18 1.01 -1.19 -1.19 120.40 120.93 1r4z s VAL 96 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 1r4z s VAL 96 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1r4z s VAL 96 CO 0.00 0.58 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1r4z n ALA 97 N 2.53 1.49 -2.63 5.51 0.00 -0.24 -4.71 120.51 122.46 1r4z n ALA 97 Ca -0.16 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 1r4z n ALA 97 Cb 0.51 0.08 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 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 -5.61 3.37 -0.08 0.00 0.01 -1.26 -2.10 114.94 109.28 1r4z s ASN 98 Ca -0.15 -0.41 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 1r4z s ASN 98 Cb 0.02 -0.82 0.01 0.00 0.41 0.00 0.00 41.25 40.87 1r4z s ASN 98 CO 0.22 0.27 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.21 1r4z s VAL 99 N -0.33 1.60 -0.13 1.60 1.01 0.03 -0.43 120.40 123.75 1r4z s VAL 99 Ca 0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1r4z s VAL 99 Cb -0.12 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1r4z s VAL 99 CO 0.02 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 1r4z s VAL 100 N 0.43 1.23 0.01 2.92 1.01 0.49 -1.14 120.40 125.37 1r4z s VAL 100 Ca -0.15 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1r4z s VAL 100 Cb -0.16 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1r4z s VAL 100 CO 0.06 0.39 -0.02 0.42 0.00 0.00 0.00 175.10 175.95 1r4z s THR 101 N 1.62 3.99 -0.28 3.92 -4.23 -0.42 -0.69 115.64 119.56 1r4z s THR 101 Ca 0.05 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1r4z s THR 101 Cb -0.13 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1r4z s THR 101 CO -0.09 0.35 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.52 1r4z s LEU 102 N -1.62 3.81 -1.53 4.79 1.43 0.19 -0.96 118.68 124.79 1r4z s LEU 102 Ca 0.20 -1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 51.60 1r4z s LEU 102 Cb -0.11 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1r4z s LEU 102 CO 0.11 -0.25 0.99 0.61 0.23 0.00 0.00 176.35 178.04 1r4z n GLY 103 N 4.41 -0.49 3.77 -3.19 0.00 0.43 -2.07 105.19 108.04 1r4z n GLY 103 Ca -0.10 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.33 2.97 -0.55 -0.02 0.00 -1.26 -3.14 107.32 101.99 1r4z s GLY 104 Ca 0.65 0.94 -0.04 0.00 0.00 0.00 0.00 44.72 46.28 1r4z s GLY 104 CO 0.83 1.51 2.72 0.00 0.00 0.00 0.00 173.10 178.16 1r4z n ALA 105 N 0.72 6.50 -0.21 3.20 0.00 -0.69 -3.02 120.51 127.00 1r4z n ALA 105 Ca 0.01 -3.18 0.02 0.00 0.00 0.00 0.00 53.44 50.28 1r4z n ALA 105 Cb 0.45 -2.21 0.12 0.00 0.00 0.00 0.00 19.45 17.81 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 3.17 0.03 0.12 0.00 2.35 -1.66 -2.31 115.58 117.28 1r4z h ASN 106 Ca 0.43 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1r4z h ASN 106 Cb 0.66 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1r4z h ASN 106 CO 0.95 0.01 0.00 0.54 -1.65 0.00 0.00 177.43 177.28 1r4z n ARG 107 N -5.12 0.17 0.08 0.81 1.74 -0.06 -1.23 116.66 113.05 1r4z n ARG 107 Ca 0.10 0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 1r4z n ARG 107 Cb 0.34 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.73 1r4z n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1r4z n LEU 108 N -1.20 0.46 -0.03 0.55 4.77 -0.87 -3.79 117.00 116.89 1r4z n LEU 108 Ca 0.05 0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1r4z n LEU 108 Cb 0.06 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1r4z n LEU 108 CO 0.06 -0.34 -0.67 0.41 -1.33 0.00 0.00 177.39 175.52 1r4z n THR 109 N -1.98 0.70 -3.44 -5.08 -1.04 -0.36 -5.10 114.28 97.97 1r4z n THR 109 Ca 0.04 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1r4z n THR 109 Cb 0.27 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 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 -2.20 0.00 -2.34 12.58 -1.32 -0.97 -5.02 115.64 116.37 1r4z s THR 110 Ca -0.12 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.56 1r4z s THR 110 Cb 0.04 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.27 1r4z s THR 110 CO 0.15 0.00 1.20 0.61 -2.21 0.00 0.00 174.62 174.37 1r4z n GLY 111 N -0.25 0.98 3.58 6.08 0.00 -1.26 -3.21 105.19 111.10 1r4z n GLY 111 Ca -0.16 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1r4z n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4z s LYS 112 N -1.54 2.12 -0.93 1.61 1.02 -1.26 0.38 119.74 121.13 1r4z s LYS 112 Ca 0.27 -1.07 -0.24 0.00 0.02 0.00 0.00 55.97 54.95 1r4z s LYS 112 Cb 0.18 -2.28 0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1r4z s LYS 112 CO 0.26 0.49 1.40 0.00 -0.92 0.00 0.00 175.35 176.58 1r4z s ALA 113 N -1.30 2.73 -0.02 5.17 0.00 -0.50 -4.77 121.76 123.07 1r4z s ALA 113 Ca 0.22 -2.00 -0.33 0.00 0.00 0.00 0.00 51.96 49.85 1r4z s ALA 113 Cb -0.11 -4.44 -0.12 0.00 0.00 0.00 0.00 23.12 18.45 1r4z s ALA 113 CO 0.14 -3.51 1.83 1.28 0.00 0.00 0.00 175.76 175.50 1r4z n LEU 114 N 9.01 3.51 0.22 0.00 4.77 -1.26 -4.86 117.00 128.39 1r4z n LEU 114 Ca 0.24 0.99 0.09 0.00 -0.03 0.00 0.00 56.01 57.29 1r4z n LEU 114 Cb 0.50 -1.41 0.52 0.00 -2.33 0.00 0.00 43.42 40.70 1r4z n LEU 114 CO 0.67 -0.05 0.83 1.55 -1.33 0.00 0.00 177.39 179.06 1r4z h PRO 115 N 8.72 0.00 0.00 3.23 0.13 -1.93 -3.40 132.00 138.75 1r4z h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1r4z h PRO 115 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1r4z h PRO 115 CO 0.94 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1r4z n GLY 116 N -0.27 -1.84 0.52 1.56 0.00 -1.26 -1.22 105.19 102.68 1r4z n GLY 116 Ca -0.01 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.01 1.56 -3.60 2.61 -2.24 0.32 -4.88 114.28 108.04 1r4z n THR 117 Ca 0.00 -1.49 -0.40 0.00 -2.27 0.00 0.00 64.05 59.89 1r4z n THR 117 Cb 0.00 0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.61 5.66 0.64 3.42 -1.08 -1.26 -4.89 116.67 117.57 1r4z s ASP 118 Ca 0.27 -2.50 0.32 0.00 -0.52 0.00 0.00 52.55 50.12 1r4z s ASP 118 Cb 0.20 -1.96 1.74 0.00 -1.46 0.00 0.00 42.92 41.43 1r4z s ASP 118 CO 0.09 -0.51 2.02 1.55 0.52 0.00 0.00 175.17 178.84 1r4z h PRO 119 N 7.65 0.00 0.00 4.34 0.13 -1.95 0.14 132.00 142.31 1r4z h PRO 119 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1r4z h PRO 119 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1r4z h PRO 119 CO 0.76 0.00 -0.50 -0.91 -0.23 0.00 0.00 178.00 177.12 1r4z h ASN 120 N 0.00 0.00 -1.57 1.44 2.35 -2.01 -3.43 115.58 112.37 1r4z h ASN 120 Ca 0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1r4z h ASN 120 Cb 0.60 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.70 1r4z h ASN 120 CO -0.00 0.50 -0.43 -1.58 -1.65 0.00 0.00 177.43 174.27 1r4z s GLN 121 N -3.60 0.43 0.37 0.81 0.74 0.47 -5.15 119.66 113.73 1r4z s GLN 121 Ca -0.01 0.58 -0.26 0.00 0.05 0.00 0.00 55.36 55.73 1r4z s GLN 121 Cb 0.12 -0.13 -0.09 0.00 1.10 0.00 0.00 33.01 34.01 1r4z s GLN 121 CO 0.73 -0.74 1.08 0.15 -0.55 0.00 0.00 175.29 175.96 1r4z s LYS 122 N 2.64 4.26 0.19 1.67 1.02 -1.25 -4.57 119.74 123.71 1r4z s LYS 122 Ca 0.14 1.64 -0.30 0.00 0.02 0.00 0.00 55.97 57.47 1r4z s LYS 122 Cb -0.14 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.35 1r4z s LYS 122 CO -0.21 -0.08 1.38 0.42 -0.92 0.00 0.00 175.35 175.95 1r4z s ILE 123 N -1.49 3.01 -0.11 2.17 1.01 -0.35 -5.00 121.20 120.45 1r4z s ILE 123 Ca 0.54 0.81 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 1r4z s ILE 123 Cb -0.26 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1r4z s ILE 123 CO 0.33 0.11 0.10 -0.76 0.00 0.00 0.00 174.94 174.72 1r4z s LEU 124 N 0.14 4.15 0.05 2.97 1.43 -0.89 -4.66 118.68 121.86 1r4z s LEU 124 Ca 0.60 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 1r4z s LEU 124 Cb -0.39 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1r4z s LEU 124 CO 0.38 0.40 -0.22 -0.31 0.23 0.00 0.00 176.35 176.83 1r4z s TYR 125 N -0.97 1.90 -0.18 0.29 1.51 0.08 -0.79 117.35 119.19 1r4z s TYR 125 Ca 0.14 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1r4z s TYR 125 Cb -0.12 -1.13 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 1r4z s TYR 125 CO 0.03 0.10 0.03 0.99 -1.11 0.00 0.00 175.55 175.59 1r4z s THR 126 N -0.81 0.55 -0.33 -0.71 2.01 -0.29 -1.48 115.64 114.57 1r4z s THR 126 Ca 0.08 -0.51 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 1r4z s THR 126 Cb -0.09 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1r4z s THR 126 CO 0.02 -0.15 0.16 -0.55 -0.69 0.00 0.00 174.62 173.40 1r4z s SER 127 N 1.85 5.53 -0.19 3.53 0.15 -0.38 -1.30 113.70 122.89 1r4z s SER 127 Ca -0.00 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.83 1r4z s SER 127 Cb -0.17 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1r4z s SER 127 CO -0.08 -0.26 0.07 -0.63 1.20 0.00 0.00 173.24 173.54 1r4z s ILE 128 N 1.56 4.75 0.03 6.45 1.01 -0.13 -0.63 121.20 134.25 1r4z s ILE 128 Ca 0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 1r4z s ILE 128 Cb -0.18 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1r4z s ILE 128 CO 0.06 0.44 0.20 -0.72 0.00 0.00 0.00 174.94 174.91 1r4z s TYR 129 N 0.55 0.03 -0.04 3.97 -0.85 -0.73 -0.43 117.35 119.85 1r4z s TYR 129 Ca 0.03 -0.20 0.04 0.00 -0.52 0.00 0.00 57.07 56.43 1r4z s TYR 129 Cb -0.13 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 1r4z s TYR 129 CO 0.01 -0.40 -0.16 0.45 -1.52 0.00 0.00 175.55 173.92 1r4z s SER 130 N -1.89 3.86 0.14 -0.18 0.15 -1.26 -0.55 113.70 113.96 1r4z s SER 130 Ca -0.08 -0.25 0.19 0.00 0.70 0.00 0.00 55.95 56.51 1r4z s SER 130 Cb -0.03 -0.75 0.80 0.00 -1.71 0.00 0.00 66.02 64.33 1r4z s SER 130 CO -0.02 0.34 1.58 -1.54 1.20 0.00 0.00 173.24 174.80 1r4z n SER 131 N 2.29 0.36 -0.80 5.45 3.41 -0.50 -1.77 113.62 122.07 1r4z n SER 131 Ca -0.17 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1r4z n SER 131 Cb 0.52 -0.67 0.30 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.65 2.49 -2.15 7.33 0.00 -1.26 -4.90 120.51 120.37 1r4z n ALA 132 Ca 0.02 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 1r4z n ALA 132 Cb 0.19 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.70 6.63 -0.12 0.00 -1.08 -0.73 -4.53 116.67 115.14 1r4z s ASP 133 Ca 0.34 1.86 0.17 0.00 -0.52 0.00 0.00 52.55 54.41 1r4z s ASP 133 Cb 0.20 -2.53 0.68 0.00 -1.46 0.00 0.00 42.92 39.81 1r4z s ASP 133 CO 0.30 -1.01 1.60 0.23 0.52 0.00 0.00 175.17 176.80 1r4z n MET 134 N 7.21 3.68 -0.02 4.34 2.81 -1.26 -4.52 117.12 129.36 1r4z n MET 134 Ca 0.17 -2.85 -0.05 0.00 -1.81 0.00 0.00 57.70 53.16 1r4z n MET 134 Cb 0.44 -1.87 -0.02 0.00 -0.71 0.00 0.00 33.22 31.07 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 0.92 0.26 -3.96 2.02 2.08 -1.26 -4.99 119.36 114.43 1r4z n ILE 135 Ca 0.25 -0.07 -0.34 0.00 0.56 0.00 0.00 62.75 63.15 1r4z n ILE 135 Cb 0.88 -1.54 -0.14 0.00 -0.75 0.00 0.00 39.64 38.08 1r4z n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1r4z s VAL 136 N -2.09 2.88 0.40 1.39 1.01 -1.26 -5.09 120.40 117.63 1r4z s VAL 136 Ca -0.07 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 1r4z s VAL 136 Cb 0.03 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1r4z s VAL 136 CO 0.08 0.19 1.42 -0.04 0.00 0.00 0.00 175.10 176.76 1r4z s MET 137 N 1.32 3.99 0.42 2.72 -1.94 -1.26 -4.85 119.30 119.71 1r4z s MET 137 Ca -0.00 2.43 0.13 0.00 -1.71 0.00 0.00 55.69 56.54 1r4z s MET 137 Cb -0.17 -2.86 0.99 0.00 2.01 0.00 0.00 34.83 34.80 1r4z s MET 137 CO -0.04 -0.57 1.96 -0.91 -0.01 0.00 0.00 175.02 175.44 1r4z h ASN 138 N 2.80 0.42 -0.92 3.03 2.35 -1.91 -1.81 115.58 119.55 1r4z h ASN 138 Ca -0.50 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.34 1r4z h ASN 138 Cb 1.25 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.47 1r4z h ASN 138 CO 0.63 0.25 0.57 0.22 -1.65 0.00 0.00 177.43 177.44 1r4z h TYR 139 N 0.46 1.04 0.00 1.19 3.20 -1.95 -0.60 116.97 120.31 1r4z h TYR 139 Ca 0.31 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1r4z h TYR 139 Cb 0.59 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1r4z h TYR 139 CO -0.00 0.48 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.81 1r4z h LEU 140 N 0.97 0.00 0.00 2.82 3.38 -1.64 -2.86 115.31 117.98 1r4z h LEU 140 Ca 0.42 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.16 1r4z h LEU 140 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1r4z h LEU 140 CO -0.21 0.11 -1.35 0.28 0.09 0.00 0.00 178.44 177.36 1r4z h SER 141 N 0.00 0.00 -3.03 -0.43 0.02 -1.04 0.03 113.55 109.10 1r4z h SER 141 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1r4z h SER 141 Cb 0.32 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.90 1r4z h SER 141 CO 0.01 0.92 0.81 -0.13 -1.14 0.00 0.00 176.83 177.31 1r4z s ARG 142 N -2.70 4.25 -0.10 3.45 0.52 -0.83 -4.76 118.95 118.79 1r4z s ARG 142 Ca -0.02 2.29 0.04 0.00 -0.52 0.00 0.00 55.73 57.52 1r4z s ARG 142 Cb 0.09 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1r4z s ARG 142 CO 0.82 -0.52 -0.23 -0.51 0.02 0.00 0.00 175.30 174.88 1r4z s LEU 143 N 0.67 2.04 0.05 2.53 1.43 -1.26 -4.78 118.68 119.36 1r4z s LEU 143 Ca 0.66 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1r4z s LEU 143 Cb -0.42 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 1r4z s LEU 143 CO 0.35 0.15 1.87 -1.81 0.23 0.00 0.00 176.35 177.14 1r4z s ASP 144 N 0.36 6.48 0.00 2.29 1.01 0.16 -1.94 116.67 125.03 1r4z s ASP 144 Ca -0.18 2.63 0.00 0.00 0.71 0.00 0.00 52.55 55.71 1r4z s ASP 144 Cb -0.18 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1r4z s ASP 144 CO 0.08 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 175.06 1r4z n GLY 145 N 4.38 1.21 3.94 0.21 0.00 -1.26 -1.41 105.19 112.26 1r4z n GLY 145 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.48 3.48 -0.73 4.61 0.00 -0.82 -0.96 121.76 124.86 1r4z s ALA 146 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 51.96 50.74 1r4z s ALA 146 Cb 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 23.12 20.79 1r4z s ALA 146 CO 0.00 -0.88 1.10 0.50 0.00 0.00 0.00 175.76 176.48 1r4z s ARG 147 N -4.95 3.21 -0.23 0.00 3.52 -0.55 -4.90 118.95 115.05 1r4z s ARG 147 Ca 0.56 -0.75 -0.21 0.00 -0.13 0.00 0.00 55.73 55.19 1r4z s ARG 147 Cb -0.10 -4.35 -0.02 0.00 -1.56 0.00 0.00 34.95 28.92 1r4z s ARG 147 CO 0.42 -1.94 0.66 -0.80 -0.81 0.00 0.00 175.30 172.84 1r4z s ASN 148 N 3.78 6.66 -0.22 -2.12 0.01 -1.26 -1.25 114.94 120.55 1r4z s ASN 148 Ca 0.28 0.81 0.02 0.00 -0.71 0.00 0.00 52.86 53.26 1r4z s ASN 148 Cb -0.12 -2.36 0.04 0.00 0.41 0.00 0.00 41.25 39.22 1r4z s ASN 148 CO 0.09 -0.36 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.49 1r4z s VAL 149 N 2.33 2.02 -0.18 1.60 1.01 0.20 -4.97 120.40 122.41 1r4z s VAL 149 Ca 0.29 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1r4z s VAL 149 Cb -0.16 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1r4z s VAL 149 CO 0.09 0.23 0.26 -1.58 0.00 0.00 0.00 175.10 174.10 1r4z s GLN 150 N 1.23 4.23 0.48 2.72 0.74 -1.26 -1.77 119.66 126.04 1r4z s GLN 150 Ca -0.02 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.45 1r4z s GLN 150 Cb -0.17 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.49 1r4z s GLN 150 CO -0.09 0.22 0.12 0.96 -0.55 0.00 0.00 175.29 175.95 1r4z s ILE 151 N 0.54 1.61 0.14 -2.34 -4.36 0.28 -4.98 121.20 112.09 1r4z s ILE 151 Ca 0.14 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 1r4z s ILE 151 Cb -0.13 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1r4z s ILE 151 CO 0.03 0.00 -0.04 -1.00 0.24 0.00 0.00 174.94 174.16 1r4z s HIS 152 N -2.78 1.12 0.00 1.37 3.76 -1.26 -1.42 115.29 116.08 1r4z s HIS 152 Ca 0.23 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1r4z s HIS 152 Cb 0.03 -0.62 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1r4z s HIS 152 CO 0.13 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1r4z n GLY 153 N -0.17 1.62 3.77 -2.22 0.00 -1.26 -4.93 105.19 102.00 1r4z n GLY 153 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.54 5.38 0.79 1.61 1.01 -1.26 -4.95 120.40 120.43 1r4z s VAL 154 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1r4z s VAL 154 Cb 0.00 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.93 1r4z s VAL 154 CO 0.00 0.47 1.14 -0.83 0.00 0.00 0.00 175.10 175.88 1r4z s GLY 155 N -0.01 1.61 0.11 4.51 0.00 -1.26 -3.66 107.32 108.61 1r4z s GLY 155 Ca 0.13 -0.48 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 1r4z s GLY 155 CO 0.02 -0.03 1.67 0.84 0.00 0.00 0.00 173.10 175.60 1r4z h HIS 156 N -0.98 -0.41 -0.10 1.90 2.76 -1.93 -1.43 115.15 114.96 1r4z h HIS 156 Ca -0.46 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 57.60 1r4z h HIS 156 Cb 1.30 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.42 1r4z h HIS 156 CO 0.39 -0.24 -0.46 0.82 -1.30 0.00 0.00 177.93 177.14 1r4z h ILE 157 N -0.28 1.33 0.00 6.26 2.04 -2.00 -2.69 117.51 122.18 1r4z h ILE 157 Ca 0.04 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1r4z h ILE 157 Cb 0.33 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1r4z h ILE 157 CO -0.13 0.49 0.05 1.23 0.00 0.00 0.00 178.15 179.80 1r4z h GLY 158 N 1.28 0.00 2.00 5.37 0.00 -1.69 -0.45 103.07 109.58 1r4z h GLY 158 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1r4z h GLY 158 CO 0.07 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 178.01 1r4z h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -0.94 -1.31 115.31 119.55 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 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1r4z h LEU 159 CO 0.00 0.02 -0.28 0.18 0.09 0.00 0.00 178.44 178.45 1r4z n LEU 160 N -3.21 0.56 -2.78 1.67 4.77 -0.18 -4.19 117.00 113.65 1r4z n LEU 160 Ca -0.02 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1r4z n LEU 160 Cb 0.16 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1r4z n LEU 160 CO 0.24 -0.06 -0.12 -1.22 -1.33 0.00 0.00 177.39 174.91 1r4z n TYR 161 N -1.94 1.17 -5.18 -1.77 4.01 -0.51 -4.13 117.16 108.80 1r4z n TYR 161 Ca 0.05 -3.10 -0.31 0.00 -0.16 0.00 0.00 57.90 54.38 1r4z n TYR 161 Cb 0.40 -0.37 -0.17 0.00 -0.31 0.00 0.00 39.34 38.89 1r4z n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1r4z s SER 162 N -3.00 2.99 0.22 7.72 0.15 -1.12 -5.00 113.70 115.66 1r4z s SER 162 Ca 0.32 -0.53 -0.05 0.00 0.70 0.00 0.00 55.95 56.39 1r4z s SER 162 Cb 0.42 -1.25 0.20 0.00 -1.71 0.00 0.00 66.02 63.68 1r4z s SER 162 CO -0.01 0.17 1.68 0.28 1.20 0.00 0.00 173.24 176.56 1r4z h SER 163 N 6.59 0.87 -0.47 5.45 0.02 -1.96 -0.06 113.55 123.99 1r4z h SER 163 Ca -0.22 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1r4z h SER 163 Cb 1.22 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1r4z h SER 163 CO 0.47 0.97 0.16 -0.61 -1.14 0.00 0.00 176.83 176.69 1r4z h GLN 164 N 0.81 0.73 -0.49 3.45 4.15 -2.00 -2.20 115.11 119.56 1r4z h GLN 164 Ca 0.14 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1r4z h GLN 164 Cb 0.57 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1r4z h GLN 164 CO 0.03 0.68 0.11 0.28 -1.93 0.00 0.00 178.83 178.00 1r4z h VAL 165 N 0.63 1.24 -0.52 2.39 2.07 -1.84 -2.56 116.25 117.66 1r4z h VAL 165 Ca 0.15 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.89 1r4z h VAL 165 Cb 0.24 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1r4z h VAL 165 CO -0.01 0.31 0.15 0.78 0.02 0.00 0.00 177.57 178.83 1r4z h ASN 166 N 0.67 0.12 -0.85 0.57 2.35 -0.75 0.15 115.58 117.84 1r4z h ASN 166 Ca 0.15 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1r4z h ASN 166 Cb 0.35 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1r4z h ASN 166 CO 0.00 0.09 0.51 0.28 -1.65 0.00 0.00 177.43 176.67 1r4z h SER 167 N 0.31 1.03 0.10 5.81 0.02 -1.26 -1.39 113.55 118.18 1r4z h SER 167 Ca 0.25 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1r4z h SER 167 Cb 0.31 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1r4z h SER 167 CO -0.29 0.80 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.79 1r4z h LEU 168 N 1.18 0.36 -0.21 5.07 3.38 -0.87 -1.72 115.31 122.50 1r4z h LEU 168 Ca 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1r4z h LEU 168 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1r4z h LEU 168 CO -0.06 0.68 0.06 0.40 0.09 0.00 0.00 178.44 179.61 1r4z h ILE 169 N 0.30 1.20 -0.39 1.22 2.04 -0.11 -1.44 117.51 120.33 1r4z h ILE 169 Ca 0.04 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1r4z h ILE 169 Cb 0.75 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1r4z h ILE 169 CO 0.06 0.20 0.15 0.50 0.00 0.00 0.00 178.15 179.06 1r4z h LYS 170 N 0.16 0.31 -0.91 2.37 3.64 -1.01 0.91 116.57 122.05 1r4z h LYS 170 Ca 0.07 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1r4z h LYS 170 Cb 0.26 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1r4z h LYS 170 CO -0.00 0.21 0.56 0.93 -2.27 0.00 0.00 179.45 178.88 1r4z h GLU 171 N 0.32 0.96 -0.37 1.90 5.08 -1.16 -1.32 114.58 119.99 1r4z h GLU 171 Ca 0.18 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1r4z h GLU 171 Cb 0.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1r4z h GLU 171 CO -0.17 0.64 0.01 0.78 -1.00 0.00 0.00 179.01 179.27 1r4z h GLY 172 N 0.99 0.70 2.00 -3.84 0.00 -0.05 0.13 103.07 102.99 1r4z h GLY 172 Ca 0.41 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1r4z h GLY 172 CO -0.20 0.47 0.00 1.41 0.00 0.00 0.00 176.54 178.22 1r4z h LEU 173 N 0.47 0.00 -1.16 3.11 3.38 -0.43 -2.25 115.31 118.42 1r4z h LEU 173 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1r4z h LEU 173 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1r4z h LEU 173 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1r4z n ASN 174 N -2.66 1.70 0.00 -0.43 3.02 -0.54 -4.87 115.26 111.49 1r4z n ASN 174 Ca 0.02 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1r4z n ASN 174 Cb 0.30 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1r4z n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r4z n GLY 175 N 1.04 0.78 0.14 7.41 0.00 -0.85 -4.97 105.19 108.74 1r4z n GLY 175 Ca 0.12 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.15 -0.77 3.28 -0.02 0.00 0.43 -4.88 105.19 101.06 1r4z n GLY 176 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1r4z n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4z n GLY 177 N 1.12 -2.24 3.35 -0.02 0.00 -1.26 -4.85 105.19 101.30 1r4z n GLY 177 Ca 0.20 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1r4z n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r4z s GLN 178 N -5.38 1.38 -0.39 1.61 -0.21 -0.55 -4.71 119.66 111.40 1r4z s GLN 178 Ca 0.65 -1.52 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1r4z s GLN 178 Cb -0.04 0.35 0.18 0.00 1.00 0.00 0.00 33.01 34.50 1r4z s GLN 178 CO 0.48 -0.51 0.78 1.21 -2.12 0.00 0.00 175.29 175.13 1r4z s ASN 179 N -3.12 -1.14 -0.33 5.90 3.84 -1.07 -0.74 114.94 118.27 1r4z s ASN 179 Ca 0.33 -0.69 0.05 0.00 0.21 0.00 0.00 52.86 52.75 1r4z s ASN 179 Cb 0.04 1.47 0.57 0.00 -0.55 0.00 0.00 41.25 42.77 1r4z s ASN 179 CO 0.12 -0.11 1.70 0.35 -2.79 0.00 0.00 177.10 176.37 1r4z n THR 180 N 3.98 2.68 1.37 -5.21 -2.24 -0.14 -5.01 114.28 109.71 1r4z n THR 180 Ca 0.10 -1.47 0.13 0.00 -2.27 0.00 0.00 64.05 60.55 1r4z n THR 180 Cb 0.59 -0.52 0.41 0.00 -2.10 0.00 0.00 70.33 68.71 1r4z n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09