#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l1z h HIS -3 N 0.00 0.93 0.00 1.57 -0.00 -2.01 -3.11 115.15 112.53 3l1z h HIS -3 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 60.37 59.70 3l1z h HIS -3 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3l1z h HIS -3 CO 0.00 1.52 0.00 -1.33 -0.00 0.00 0.00 177.93 178.12 3l1z n MET -2 N -3.70 0.06 -0.05 5.26 0.00 -1.26 -1.92 117.12 115.51 3l1z n MET -2 Ca -0.16 0.39 -0.01 0.00 0.00 0.00 0.00 57.70 57.93 3l1z n MET -2 Cb 1.09 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 32.67 3l1z n MET -2 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 3l1z h ASN -1 N 0.00 -0.01 -0.95 7.83 -0.73 -1.76 -2.93 115.58 117.03 3l1z h ASN -1 Ca 0.00 -0.03 0.17 0.00 1.87 0.00 0.00 56.30 58.30 3l1z h ASN -1 Cb 0.18 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.69 3l1z h ASN -1 CO 0.00 0.51 0.60 -1.28 -0.37 0.00 0.00 177.43 176.89 3l1z h SER 0 N -1.00 0.70 0.73 1.15 0.87 -1.44 -1.13 113.55 113.43 3l1z h SER 0 Ca -0.00 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3l1z h SER 0 Cb 0.04 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3l1z h SER 0 CO 0.00 0.31 -0.35 0.24 -0.53 0.00 0.00 176.83 176.50 3l1z h MET 1 N 0.72 -0.95 -0.90 2.24 2.86 -1.53 -0.91 114.93 116.47 3l1z h MET 1 Ca 0.51 0.06 0.23 0.00 -2.06 0.00 0.00 59.70 58.44 3l1z h MET 1 Cb 0.83 0.22 -0.13 0.00 0.06 0.00 0.00 31.60 32.58 3l1z h MET 1 CO -0.27 -0.61 0.36 0.00 1.06 0.00 0.00 176.91 177.46 3l1z h ALA 2 N -1.02 1.43 0.22 6.32 0.00 -1.24 -0.13 119.26 124.82 3l1z h ALA 2 Ca -0.10 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3l1z h ALA 2 Cb 0.78 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3l1z h ALA 2 CO 0.17 -0.39 -0.11 1.25 0.00 0.00 0.00 179.25 180.16 3l1z h LEU 3 N 0.35 -0.28 -1.01 0.00 5.85 -1.08 -0.93 115.31 118.22 3l1z h LEU 3 Ca 0.57 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.48 3l1z h LEU 3 Cb 1.11 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 3l1z h LEU 3 CO -0.56 -0.19 0.61 0.50 -0.34 0.00 0.00 178.44 178.46 3l1z h LYS 4 N -0.31 0.77 0.46 1.25 3.64 0.40 0.63 116.57 123.42 3l1z h LYS 4 Ca -0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3l1z h LYS 4 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3l1z h LYS 4 CO 0.04 0.51 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.42 3l1z h ARG 5 N 0.80 -0.60 -0.88 1.90 2.43 -1.06 -2.82 114.38 114.16 3l1z h ARG 5 Ca 0.57 0.04 0.23 0.00 -0.81 0.00 0.00 59.98 60.01 3l1z h ARG 5 Cb 0.85 0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.38 3l1z h ARG 5 CO -0.37 -0.30 0.14 0.82 -1.51 0.00 0.00 179.97 178.76 3l1z h ILE 6 N -0.88 0.25 0.23 1.20 2.04 -0.02 -0.15 117.51 120.18 3l1z h ILE 6 Ca -0.06 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3l1z h ILE 6 Cb 0.58 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3l1z h ILE 6 CO 0.10 0.02 -0.38 0.78 0.00 0.00 0.00 178.15 178.68 3l1z h ASN 7 N 0.13 -1.07 -0.60 1.72 2.35 -0.87 -1.81 115.58 115.44 3l1z h ASN 7 Ca 0.54 0.11 0.11 0.00 -0.55 0.00 0.00 56.30 56.51 3l1z h ASN 7 Cb 1.08 0.39 -0.09 0.00 0.05 0.00 0.00 38.32 39.75 3l1z h ASN 7 CO -0.72 -0.48 0.11 0.50 -1.65 0.00 0.00 177.43 175.19 3l1z h LYS 8 N -0.68 0.23 -0.87 0.81 3.64 -0.81 0.79 116.57 119.69 3l1z h LYS 8 Ca 0.00 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3l1z h LYS 8 Cb 0.66 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 3l1z h LYS 8 CO -0.15 0.15 0.47 0.93 -2.27 0.00 0.00 179.45 178.58 3l1z h GLU 9 N 0.24 0.68 -0.31 1.90 5.08 -0.84 0.25 114.58 121.57 3l1z h GLU 9 Ca 0.31 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 3l1z h GLU 9 Cb 0.47 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3l1z h GLU 9 CO -0.42 0.45 -0.45 1.25 -1.00 0.00 0.00 179.01 178.84 3l1z h LEU 10 N 0.70 0.88 -1.49 1.33 5.85 -0.14 -2.16 115.31 120.28 3l1z h LEU 10 Ca 0.46 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3l1z h LEU 10 Cb 0.60 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3l1z h LEU 10 CO -0.33 1.20 -0.19 0.28 -0.34 0.00 0.00 178.44 179.06 3l1z h SER 11 N 0.65 0.00 0.99 1.25 0.02 0.62 -2.52 113.55 114.56 3l1z h SER 11 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3l1z h SER 11 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3l1z h SER 11 CO 0.10 0.19 -0.51 0.44 -1.14 0.00 0.00 176.83 175.91 3l1z h ASP 12 N 0.00 0.00 0.32 3.07 5.19 -0.21 -2.61 116.42 122.19 3l1z h ASP 12 Ca -0.00 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3l1z h ASP 12 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3l1z h ASP 12 CO 0.02 0.08 -0.26 0.18 -3.12 0.00 0.00 179.24 176.15 3l1z n LEU 13 N -2.16 0.80 -0.11 1.55 4.32 -0.84 -2.26 117.00 118.29 3l1z n LEU 13 Ca 0.04 -0.14 -0.24 0.00 -0.02 0.00 0.00 56.01 55.64 3l1z n LEU 13 Cb 0.44 -0.16 -0.11 0.00 -1.62 0.00 0.00 43.42 41.96 3l1z n LEU 13 CO 0.35 0.15 -0.91 0.00 -1.22 0.00 0.00 177.39 175.76 3l1z n ALA 14 N -0.87 0.97 0.70 -1.18 0.00 -1.13 -3.11 120.51 115.88 3l1z n ALA 14 Ca 0.11 -0.74 0.07 0.00 0.00 0.00 0.00 53.44 52.88 3l1z n ALA 14 Cb 0.33 -0.31 0.36 0.00 0.00 0.00 0.00 19.45 19.83 3l1z n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3l1z n ARG 15 N -4.22 0.24 -3.15 0.00 1.74 -0.99 -4.45 116.66 105.82 3l1z n ARG 15 Ca -0.41 0.13 0.05 0.00 -0.77 0.00 0.00 57.85 56.86 3l1z n ARG 15 Cb 0.80 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3l1z n ARG 15 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3l1z s ASP 16 N -2.49 -0.75 -0.05 0.55 2.15 -0.96 -5.06 116.67 110.07 3l1z s ASP 16 Ca 0.14 0.09 -0.23 0.00 0.43 0.00 0.00 52.55 52.98 3l1z s ASP 16 Cb 0.09 1.47 -0.04 0.00 -0.30 0.00 0.00 42.92 44.14 3l1z s ASP 16 CO 0.21 -0.14 0.67 -2.84 -0.17 0.00 0.00 175.17 172.90 3l1z s PRO 17 N 2.92 4.41 0.98 4.34 0.02 -1.18 -3.78 135.00 142.72 3l1z s PRO 17 Ca 0.23 0.83 -0.12 0.00 0.02 0.00 0.00 61.00 61.97 3l1z s PRO 17 Cb -0.04 -3.42 0.18 0.00 0.02 0.00 0.00 34.50 31.24 3l1z s PRO 17 CO -0.24 0.15 1.09 -2.14 -0.33 0.00 0.00 177.00 175.53 3l1z s PRO 18 N 0.51 0.51 -0.19 5.54 0.02 -1.26 -4.90 135.00 135.23 3l1z s PRO 18 Ca 0.35 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 3l1z s PRO 18 Cb -0.18 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 3l1z s PRO 18 CO 0.18 -2.81 1.99 0.00 -0.33 0.00 0.00 177.00 176.02 3l1z s ALA 19 N -2.71 3.00 0.00 -1.55 0.00 -1.26 -2.40 121.76 116.84 3l1z s ALA 19 Ca 0.66 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3l1z s ALA 19 Cb -0.21 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 18.92 3l1z s ALA 19 CO 0.60 -2.40 0.00 1.04 0.00 0.00 0.00 175.76 175.00 3l1z n GLN 20 N 8.28 -1.11 -4.64 0.00 6.02 -1.26 -4.93 117.38 119.74 3l1z n GLN 20 Ca 0.25 0.28 -0.34 0.00 -0.01 0.00 0.00 57.00 57.18 3l1z n GLN 20 Cb 0.45 -4.35 -0.11 0.00 1.02 0.00 0.00 30.24 27.25 3l1z n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3l1z s SER 22 N -0.81 -0.15 -0.15 0.00 0.15 -0.84 -4.15 113.70 107.74 3l1z s SER 22 Ca 0.12 0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.97 3l1z s SER 22 Cb -0.11 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 3l1z s SER 22 CO 0.01 -0.10 0.41 0.00 1.20 0.00 0.00 173.24 174.76 3l1z s ALA 23 N 0.60 -1.01 0.16 5.45 0.00 -1.26 0.68 121.76 126.38 3l1z s ALA 23 Ca -0.04 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 3l1z s ALA 23 Cb -0.06 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3l1z s ALA 23 CO -0.03 -0.20 0.35 0.20 0.00 0.00 0.00 175.76 176.08 3l1z s GLY 24 N 0.40 0.17 0.47 0.00 0.00 -0.79 -4.99 107.32 102.58 3l1z s GLY 24 Ca -0.02 -0.56 -0.23 0.00 0.00 0.00 0.00 44.72 43.92 3l1z s GLY 24 CO -0.02 -0.60 1.23 -4.14 0.00 0.00 0.00 173.10 169.57 3l1z s PRO 25 N -3.91 3.63 0.00 2.90 0.02 -1.26 -0.75 135.00 135.64 3l1z s PRO 25 Ca 0.11 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.08 3l1z s PRO 25 Cb 0.02 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 32.12 3l1z s PRO 25 CO -0.04 -0.71 0.40 1.33 -0.33 0.00 0.00 177.00 177.65 3l1z n VAL 26 N -0.54 0.30 -0.50 3.83 0.24 0.87 -4.78 118.33 117.75 3l1z n VAL 26 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3l1z n VAL 26 Cb 0.47 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 3l1z n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3l1z n GLY 27 N 0.56 -3.77 5.00 7.63 0.00 -1.26 -4.69 105.19 108.66 3l1z n GLY 27 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3l1z n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3l1z n ASP 28 N -0.09 0.00 -4.65 1.61 -0.08 -1.26 -4.85 116.55 107.23 3l1z n ASP 28 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 3l1z n ASP 28 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 3l1z n ASP 28 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3l1z s ASP 29 N 0.00 6.87 0.07 1.67 -1.08 -1.26 -4.94 116.67 118.00 3l1z s ASP 29 Ca 0.00 1.08 0.12 0.00 -0.52 0.00 0.00 52.55 53.24 3l1z s ASP 29 Cb 0.00 -2.44 -0.16 0.00 -1.46 0.00 0.00 42.92 38.86 3l1z s ASP 29 CO 0.00 -0.46 0.97 -0.03 0.52 0.00 0.00 175.17 176.17 3l1z h MET 30 N 7.53 0.00 -0.14 4.34 1.85 -1.98 -3.29 114.93 123.24 3l1z h MET 30 Ca -0.26 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 3l1z h MET 30 Cb 1.11 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.14 3l1z h MET 30 CO 0.85 0.58 0.00 1.19 -0.40 0.00 0.00 176.91 179.14 3l1z n PHE 31 N -3.12 0.19 -3.82 1.39 0.99 -1.26 -4.64 117.46 107.20 3l1z n PHE 31 Ca -0.08 -0.10 -0.28 0.00 -0.00 0.00 0.00 57.45 56.99 3l1z n PHE 31 Cb 0.93 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 39.25 3l1z n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 3l1z s HIS 32 N -1.81 1.47 0.22 1.38 2.46 -1.24 -1.18 115.29 116.60 3l1z s HIS 32 Ca 0.15 -1.06 0.11 0.00 0.47 0.00 0.00 55.06 54.73 3l1z s HIS 32 Cb 0.08 -1.21 -0.05 0.00 -0.13 0.00 0.00 32.58 31.27 3l1z s HIS 32 CO 0.11 -0.63 -0.20 -1.58 -2.47 0.00 0.00 174.74 169.97 3l1z s TRP 33 N 1.71 2.11 0.06 3.88 0.52 0.01 -0.09 118.94 127.15 3l1z s TRP 33 Ca -0.01 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.78 3l1z s TRP 33 Cb -0.17 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.13 3l1z s TRP 33 CO -0.07 0.52 -0.18 1.14 0.02 0.00 0.00 176.95 178.38 3l1z s GLN 34 N -3.13 1.99 0.22 4.98 -2.07 0.07 -0.22 119.66 121.51 3l1z s GLN 34 Ca 0.23 -1.04 0.11 0.00 -1.82 0.00 0.00 55.36 52.84 3l1z s GLN 34 Cb -0.05 -2.17 -0.05 0.00 -1.09 0.00 0.00 33.01 29.65 3l1z s GLN 34 CO 0.11 0.52 -0.21 0.00 -1.32 0.00 0.00 175.29 174.39 3l1z s ALA 35 N -0.99 2.51 0.05 2.60 0.00 -0.64 -1.89 121.76 123.40 3l1z s ALA 35 Ca 0.16 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.45 3l1z s ALA 35 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3l1z s ALA 35 CO 0.07 0.33 -0.12 0.95 0.00 0.00 0.00 175.76 176.98 3l1z s THR 36 N -2.09 0.94 -0.02 0.00 -4.23 0.22 -0.51 115.64 109.95 3l1z s THR 36 Ca 0.23 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3l1z s THR 36 Cb -0.06 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.89 3l1z s THR 36 CO 0.11 -0.18 0.01 -0.63 -0.54 0.00 0.00 174.62 173.39 3l1z s ILE 37 N -1.12 0.06 -1.44 2.99 1.01 -0.87 -1.99 121.20 119.85 3l1z s ILE 37 Ca -0.03 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.80 3l1z s ILE 37 Cb -0.09 -0.15 0.28 0.00 0.01 0.00 0.00 42.46 42.52 3l1z s ILE 37 CO 0.01 0.09 1.12 0.23 0.00 0.00 0.00 174.94 176.39 3l1z n MET 38 N 3.87 2.04 -2.65 2.79 2.81 -0.97 -1.68 117.12 123.32 3l1z n MET 38 Ca -0.24 -1.12 -0.05 0.00 -1.81 0.00 0.00 57.70 54.48 3l1z n MET 38 Cb 0.53 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 3l1z n MET 38 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3l1z n GLY 39 N 0.65 -4.75 3.26 3.03 0.00 -1.13 -3.52 105.19 102.72 3l1z n GLY 39 Ca 0.10 1.66 -0.38 0.00 0.00 0.00 0.00 46.02 47.40 3l1z n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3l1z n PRO 40 N 1.82 0.09 0.00 1.61 -0.02 -1.26 -3.54 135.00 133.70 3l1z n PRO 40 Ca -0.39 0.04 0.14 0.00 -2.02 0.00 0.00 63.50 61.26 3l1z n PRO 40 Cb 0.60 -1.17 0.52 0.00 -0.02 0.00 0.00 33.50 33.43 3l1z n PRO 40 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3l1z n ASN 41 N 2.14 0.57 -1.86 2.55 4.13 -1.26 -2.86 115.26 118.66 3l1z n ASN 41 Ca 0.07 -0.53 -0.05 0.00 1.68 0.00 0.00 54.58 55.75 3l1z n ASN 41 Cb 0.49 -0.02 0.30 0.00 -1.54 0.00 0.00 39.78 39.00 3l1z n ASN 41 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3l1z n ASP 42 N -0.98 4.60 -4.23 6.41 2.03 -1.26 -4.94 116.55 118.18 3l1z n ASP 42 Ca 0.12 -3.25 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 3l1z n ASP 42 Cb 0.30 -0.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.88 3l1z n ASP 42 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3l1z s SER 43 N -1.23 0.91 0.00 1.67 1.04 -1.18 -4.75 113.70 110.17 3l1z s SER 43 Ca 0.54 -1.24 0.24 0.00 0.48 0.00 0.00 55.95 55.97 3l1z s SER 43 Cb 0.43 0.19 1.30 0.00 0.10 0.00 0.00 66.02 68.04 3l1z s SER 43 CO 0.12 -0.66 1.81 -2.65 0.98 0.00 0.00 173.24 172.84 3l1z n PRO 44 N -0.25 0.49 -0.03 4.02 -0.02 -1.26 -2.93 135.00 135.02 3l1z n PRO 44 Ca -0.04 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3l1z n PRO 44 Cb 0.64 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.87 3l1z n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3l1z n TYR 45 N -1.19 0.07 -1.64 6.00 4.01 -1.26 -3.76 117.16 119.39 3l1z n TYR 45 Ca 0.14 -0.03 -0.59 0.00 -0.16 0.00 0.00 57.90 57.25 3l1z n TYR 45 Cb 0.15 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.11 3l1z n TYR 45 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3l1z n GLN 46 N 0.96 0.57 0.00 -0.72 7.27 -1.14 -1.53 117.38 122.79 3l1z n GLN 46 Ca 0.16 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.44 3l1z n GLN 46 Cb 0.51 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 31.37 3l1z n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3l1z n GLY 47 N 3.03 3.04 3.77 1.69 0.00 -1.23 -5.02 105.19 110.47 3l1z n GLY 47 Ca 0.24 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 3l1z n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3l1z s GLY 48 N -0.20 2.84 -0.24 -0.02 0.00 -0.58 -4.86 107.32 104.26 3l1z s GLY 48 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 44.72 45.72 3l1z s GLY 48 CO 0.00 1.57 0.04 -1.34 0.00 0.00 0.00 173.10 173.36 3l1z s VAL 49 N -1.42 4.04 -0.20 1.40 -7.23 -0.92 -2.85 120.40 113.21 3l1z s VAL 49 Ca 0.62 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 60.49 3l1z s VAL 49 Cb -0.33 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 3l1z s VAL 49 CO 0.40 0.37 -0.05 -0.36 -0.31 0.00 0.00 175.10 175.15 3l1z s PHE 50 N 1.55 2.95 0.12 2.82 0.08 -0.68 -4.77 117.98 120.05 3l1z s PHE 50 Ca 0.06 -0.80 -0.13 0.00 0.12 0.00 0.00 56.93 56.19 3l1z s PHE 50 Cb -0.15 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.18 3l1z s PHE 50 CO 0.02 -0.43 0.49 -0.06 -0.10 0.00 0.00 175.22 175.14 3l1z s PHE 51 N 1.19 3.60 0.23 0.36 0.08 -1.26 -2.05 117.98 120.13 3l1z s PHE 51 Ca 0.02 0.95 0.06 0.00 0.12 0.00 0.00 56.93 58.08 3l1z s PHE 51 Cb -0.14 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 39.97 3l1z s PHE 51 CO -0.01 0.46 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.00 3l1z s LEU 52 N -1.94 2.42 -0.11 -0.37 1.02 0.33 -0.33 118.68 119.70 3l1z s LEU 52 Ca 0.36 -1.14 0.03 0.00 0.02 0.00 0.00 54.13 53.40 3l1z s LEU 52 Cb -0.15 -0.50 0.01 0.00 0.02 0.00 0.00 46.19 45.57 3l1z s LEU 52 CO 0.19 -0.35 -0.19 0.42 0.02 0.00 0.00 176.35 176.43 3l1z s THR 53 N -3.16 1.74 -0.26 5.49 -4.23 -0.05 -1.61 115.64 113.55 3l1z s THR 53 Ca 0.26 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 3l1z s THR 53 Cb 0.03 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.34 3l1z s THR 53 CO 0.08 0.49 -0.00 -0.63 -0.54 0.00 0.00 174.62 174.02 3l1z s ILE 54 N 0.70 3.43 -0.30 2.99 1.01 0.70 -2.47 121.20 127.27 3l1z s ILE 54 Ca -0.12 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 3l1z s ILE 54 Cb -0.16 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3l1z s ILE 54 CO 0.02 0.22 0.06 -1.00 0.00 0.00 0.00 174.94 174.24 3l1z s HIS 55 N 1.43 3.17 -0.05 3.97 3.76 0.17 -0.81 115.29 126.94 3l1z s HIS 55 Ca 0.03 -1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 53.42 3l1z s HIS 55 Cb -0.16 -2.22 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 3l1z s HIS 55 CO -0.01 -0.65 0.93 -0.06 -0.85 0.00 0.00 174.74 174.09 3l1z s PHE 56 N 1.43 3.59 0.75 1.40 0.08 -0.32 -1.10 117.98 123.80 3l1z s PHE 56 Ca 0.01 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 3l1z s PHE 56 Cb -0.18 -3.08 0.04 0.00 -0.57 0.00 0.00 43.02 39.23 3l1z s PHE 56 CO 0.01 -0.07 1.18 -2.30 -0.10 0.00 0.00 175.22 173.94 3l1z n PRO 57 N 4.26 0.52 0.10 0.24 -0.02 -1.26 -4.88 135.00 133.95 3l1z n PRO 57 Ca 0.05 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3l1z n PRO 57 Cb 0.50 -2.42 0.45 0.00 -0.02 0.00 0.00 33.50 32.02 3l1z n PRO 57 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3l1z n THR 58 N -2.74 0.76 -0.33 3.45 5.66 -1.26 -2.42 114.28 117.40 3l1z n THR 58 Ca 0.14 0.12 0.08 0.00 -3.05 0.00 0.00 64.05 61.34 3l1z n THR 58 Cb 0.49 -0.99 0.32 0.00 -1.55 0.00 0.00 70.33 68.61 3l1z n THR 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3l1z n ASP 59 N -2.10 4.23 -4.77 1.09 9.92 -1.26 -4.42 116.55 119.24 3l1z n ASP 59 Ca 0.03 -2.37 -0.40 0.00 -0.53 0.00 0.00 54.79 51.53 3l1z n ASP 59 Cb 0.27 -0.54 0.01 0.00 -0.64 0.00 0.00 41.12 40.22 3l1z n ASP 59 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3l1z s TYR 60 N -1.76 2.53 -0.89 1.24 5.04 -1.01 -0.28 117.35 122.21 3l1z s TYR 60 Ca 0.45 1.31 0.11 0.00 -2.44 0.00 0.00 57.07 56.50 3l1z s TYR 60 Cb 0.29 -3.85 0.52 0.00 0.35 0.00 0.00 41.96 39.27 3l1z s TYR 60 CO 0.23 -2.72 1.34 -0.35 -1.34 0.00 0.00 175.55 172.70 3l1z n PRO 61 N -0.20 3.22 0.20 4.97 -0.04 -1.26 -4.08 135.00 137.81 3l1z n PRO 61 Ca 0.05 -2.01 0.06 0.00 -0.04 0.00 0.00 63.50 61.56 3l1z n PRO 61 Cb 0.43 -1.85 0.39 0.00 -0.04 0.00 0.00 33.50 32.43 3l1z n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3l1z h PHE 62 N 2.72 0.00 -4.23 0.54 0.04 -1.00 -3.36 116.94 111.64 3l1z h PHE 62 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 3l1z h PHE 62 Cb 1.27 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 39.12 3l1z h PHE 62 CO 0.63 0.35 -0.88 0.15 -0.60 0.00 0.00 178.31 177.95 3l1z s LYS 63 N -3.81 2.40 0.55 1.51 1.02 -1.04 -4.88 119.74 115.49 3l1z s LYS 63 Ca -0.01 -0.90 -0.21 0.00 0.02 0.00 0.00 55.97 54.87 3l1z s LYS 63 Cb 0.12 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 3l1z s LYS 63 CO 0.68 0.46 1.23 -0.35 -0.92 0.00 0.00 175.35 176.45 3l1z n PRO 64 N 2.73 1.45 -2.67 -1.68 -0.04 -1.26 -4.32 135.00 129.21 3l1z n PRO 64 Ca -0.17 0.54 -0.41 0.00 -0.04 0.00 0.00 63.50 63.42 3l1z n PRO 64 Cb 0.52 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 3l1z n PRO 64 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3l1z s PRO 65 N -2.78 4.65 -0.10 0.54 0.04 -1.26 -4.55 135.00 131.54 3l1z s PRO 65 Ca 0.72 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 3l1z s PRO 65 Cb -0.43 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 3l1z s PRO 65 CO 0.49 0.13 1.23 0.15 0.04 0.00 0.00 177.00 179.05 3l1z s LYS 66 N 0.08 4.30 -0.02 4.56 1.02 -0.26 -4.89 119.74 124.53 3l1z s LYS 66 Ca 0.49 1.68 -0.06 0.00 0.02 0.00 0.00 55.97 58.10 3l1z s LYS 66 Cb -0.25 -3.65 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 3l1z s LYS 66 CO 0.31 -0.56 0.13 0.54 -0.92 0.00 0.00 175.35 174.85 3l1z s VAL 67 N 2.78 0.05 0.06 3.17 0.11 -1.26 0.45 120.40 125.75 3l1z s VAL 67 Ca 0.56 -0.38 -0.27 0.00 -2.93 0.00 0.00 61.98 58.96 3l1z s VAL 67 Cb -0.24 -0.32 0.09 0.00 -1.53 0.00 0.00 36.38 34.38 3l1z s VAL 67 CO 0.19 -0.21 0.80 0.00 -3.33 0.00 0.00 175.10 172.55 3l1z s ALA 68 N -0.70 -1.73 0.40 1.54 0.00 -1.03 -4.55 121.76 115.68 3l1z s ALA 68 Ca -0.08 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 3l1z s ALA 68 Cb -0.05 0.58 -0.09 0.00 0.00 0.00 0.00 23.12 23.57 3l1z s ALA 68 CO 0.01 -0.74 1.07 -0.06 0.00 0.00 0.00 175.76 176.04 3l1z s PHE 69 N -3.34 3.24 -0.22 0.00 0.40 0.27 -0.87 117.98 117.46 3l1z s PHE 69 Ca 0.04 1.63 0.08 0.00 -0.60 0.00 0.00 56.93 58.09 3l1z s PHE 69 Cb -0.01 -3.17 -0.21 0.00 0.51 0.00 0.00 43.02 40.15 3l1z s PHE 69 CO -0.10 -0.72 -0.06 0.25 0.70 0.00 0.00 175.22 175.30 3l1z n THR 70 N -0.03 1.47 -2.54 0.64 -2.24 0.55 -4.29 114.28 107.84 3l1z n THR 70 Ca 0.05 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 3l1z n THR 70 Cb 0.49 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 3l1z n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3l1z s THR 71 N -2.51 4.20 0.57 4.28 2.01 -1.18 -4.99 115.64 118.02 3l1z s THR 71 Ca -0.24 1.69 -0.20 0.00 0.31 0.00 0.00 61.69 63.25 3l1z s THR 71 Cb 0.08 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3l1z s THR 71 CO 0.70 0.19 1.29 -0.13 -0.69 0.00 0.00 174.62 175.98 3l1z s ARG 72 N 0.53 3.03 -0.27 4.92 1.81 -1.26 -4.87 118.95 122.84 3l1z s ARG 72 Ca 0.53 2.05 -0.22 0.00 -1.72 0.00 0.00 55.73 56.37 3l1z s ARG 72 Cb -0.27 -2.10 0.08 0.00 -0.45 0.00 0.00 34.95 32.21 3l1z s ARG 72 CO 0.31 -1.22 0.72 -1.50 -0.68 0.00 0.00 175.30 172.93 3l1z s ILE 73 N -1.42 0.00 -0.48 1.52 2.07 -1.26 -4.72 121.20 116.91 3l1z s ILE 73 Ca 0.75 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.74 3l1z s ILE 73 Cb -0.36 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.26 3l1z s ILE 73 CO 0.41 0.00 0.88 -0.47 -1.91 0.00 0.00 174.94 173.85 3l1z s TYR 74 N 0.79 2.92 -0.17 3.50 5.04 -1.26 -4.88 117.35 123.30 3l1z s TYR 74 Ca -0.03 0.22 -0.28 0.00 -2.44 0.00 0.00 57.07 54.53 3l1z s TYR 74 Cb -0.05 -3.90 0.09 0.00 0.35 0.00 0.00 41.96 38.45 3l1z s TYR 74 CO -0.06 -1.12 0.80 -1.58 -1.34 0.00 0.00 175.55 172.25 3l1z s HIS 75 N 3.64 -0.61 -0.07 4.97 2.46 -1.26 -4.77 115.29 119.65 3l1z s HIS 75 Ca 0.33 1.26 0.31 0.00 0.47 0.00 0.00 55.06 57.43 3l1z s HIS 75 Cb -0.11 0.37 1.22 0.00 -0.13 0.00 0.00 32.58 33.93 3l1z s HIS 75 CO 0.24 -0.44 1.90 -1.35 -2.47 0.00 0.00 174.74 172.62 3l1z h PRO 76 N 3.66 0.00 -0.28 2.88 0.11 -1.90 -3.14 132.00 133.33 3l1z h PRO 76 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3l1z h PRO 76 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3l1z h PRO 76 CO 0.24 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.12 3l1z n ASN 77 N -2.89 2.87 -3.85 -2.05 5.03 -1.26 0.44 115.26 113.56 3l1z n ASN 77 Ca 0.01 -2.12 -0.22 0.00 0.87 0.00 0.00 54.58 53.12 3l1z n ASN 77 Cb 0.30 -0.23 -0.17 0.00 -1.02 0.00 0.00 39.78 38.66 3l1z n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3l1z s ILE 78 N -1.22 0.55 0.49 2.41 1.01 -1.19 -1.90 121.20 121.35 3l1z s ILE 78 Ca 0.22 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3l1z s ILE 78 Cb 0.13 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 42.00 3l1z s ILE 78 CO 0.12 0.26 0.48 0.54 0.00 0.00 0.00 174.94 176.34 3l1z s ASN 79 N 1.46 4.93 0.48 3.58 2.20 -1.12 -4.44 114.94 122.04 3l1z s ASN 79 Ca -0.02 -0.93 0.29 0.00 -0.94 0.00 0.00 52.86 51.26 3l1z s ASN 79 Cb -0.13 -0.05 1.38 0.00 -2.00 0.00 0.00 41.25 40.45 3l1z s ASN 79 CO -0.03 -0.96 1.78 0.77 -2.94 0.00 0.00 177.10 175.72 3l1z h SER 80 N 0.75 0.18 -0.33 3.54 4.64 -1.93 0.15 113.55 120.55 3l1z h SER 80 Ca -0.37 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 60.85 3l1z h SER 80 Cb 1.28 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3l1z h SER 80 CO 0.54 0.02 -0.32 0.78 -0.87 0.00 0.00 176.83 176.98 3l1z h ASN 81 N 0.15 0.85 0.00 4.97 2.35 -1.94 -3.47 115.58 118.49 3l1z h ASN 81 Ca 0.59 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3l1z h ASN 81 Cb 2.00 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 40.13 3l1z h ASN 81 CO -0.14 1.14 0.00 0.61 -1.65 0.00 0.00 177.43 177.39 3l1z n GLY 82 N 0.14 0.36 3.77 2.83 0.00 0.54 -4.82 105.19 108.01 3l1z n GLY 82 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3l1z n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3l1z s SER 83 N -0.02 6.09 0.02 1.61 0.01 -1.26 -0.56 113.70 119.59 3l1z s SER 83 Ca 0.00 2.94 0.06 0.00 1.31 0.00 0.00 55.95 60.27 3l1z s SER 83 Cb 0.00 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 3l1z s SER 83 CO 0.00 -1.03 -0.18 -0.63 0.41 0.00 0.00 173.24 171.81 3l1z s ILE 84 N -1.18 2.81 -0.92 1.44 1.01 -1.26 -2.78 121.20 120.33 3l1z s ILE 84 Ca 0.58 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3l1z s ILE 84 Cb -0.44 -2.16 0.23 0.00 0.01 0.00 0.00 42.46 40.10 3l1z s ILE 84 CO 0.58 0.40 0.84 0.00 0.00 0.00 0.00 174.94 176.77 3l1z s LEU 86 N -0.84 1.61 0.38 0.00 1.43 -1.26 -5.01 118.68 115.00 3l1z s LEU 86 Ca 0.25 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3l1z s LEU 86 Cb -0.11 -1.01 0.78 0.00 0.03 0.00 0.00 46.19 45.89 3l1z s LEU 86 CO -0.09 -0.01 2.01 0.44 0.23 0.00 0.00 176.35 178.93 3l1z h ASP 87 N 7.51 0.59 -0.86 2.29 3.32 -1.94 -0.98 116.42 126.35 3l1z h ASP 87 Ca -0.31 -0.01 0.25 0.00 0.02 0.00 0.00 57.03 56.98 3l1z h ASP 87 Cb 1.17 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 3l1z h ASP 87 CO 0.48 0.41 0.62 0.40 -1.72 0.00 0.00 179.24 179.42 3l1z h ILE 88 N 0.68 0.57 -0.01 0.35 5.03 -1.91 0.50 117.51 122.72 3l1z h ILE 88 Ca 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.97 3l1z h ILE 88 Cb 0.08 0.57 0.00 0.00 -3.03 0.00 0.00 36.82 34.44 3l1z h ILE 88 CO -0.06 0.00 -0.62 0.18 -0.68 0.00 0.00 178.15 176.97 3l1z n LEU 89 N -4.28 1.14 0.00 1.44 4.77 -0.38 -3.58 117.00 116.11 3l1z n LEU 89 Ca 0.18 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3l1z n LEU 89 Cb 0.93 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3l1z n LEU 89 CO 0.39 0.24 0.00 0.54 -1.33 0.00 0.00 177.39 177.23 3l1z n ARG 90 N -0.98 3.77 -1.66 3.23 5.12 0.16 -4.85 116.66 121.45 3l1z n ARG 90 Ca 0.07 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.83 3l1z n ARG 90 Cb 0.37 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.58 3l1z n ARG 90 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3l1z s SER 91 N 0.66 3.90 0.00 0.55 0.01 -1.25 -1.36 113.70 116.21 3l1z s SER 91 Ca 0.00 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3l1z s SER 91 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3l1z s SER 91 CO 0.00 -4.06 0.00 1.67 0.41 0.00 0.00 173.24 171.26 3l1z n GLN 92 N 8.55 0.00 -2.76 12.44 -0.06 -1.23 -4.92 117.38 129.41 3l1z n GLN 92 Ca 0.44 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 55.02 3l1z n GLN 92 Cb 0.45 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.60 3l1z n GLN 92 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 3l1z s TRP 93 N 0.00 3.66 0.00 3.69 -0.11 -0.46 -4.62 118.94 121.10 3l1z s TRP 93 Ca 0.00 1.64 0.05 0.00 1.22 0.00 0.00 56.10 59.01 3l1z s TRP 93 Cb 0.00 -3.07 -0.03 0.00 -1.50 0.00 0.00 33.47 28.87 3l1z s TRP 93 CO 0.00 0.02 -0.15 0.45 -4.62 0.00 0.00 176.95 172.66 3l1z s SER 94 N 0.89 4.03 0.57 5.86 0.15 -1.26 -4.97 113.70 118.97 3l1z s SER 94 Ca 0.49 -0.29 0.33 0.00 0.70 0.00 0.00 55.95 57.18 3l1z s SER 94 Cb -0.21 -0.78 1.79 0.00 -1.71 0.00 0.00 66.02 65.11 3l1z s SER 94 CO 0.27 0.29 2.00 -0.65 1.20 0.00 0.00 173.24 176.35 3l1z h PRO 95 N 4.82 0.00 0.00 5.44 0.11 -1.90 0.34 132.00 140.82 3l1z h PRO 95 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3l1z h PRO 95 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3l1z h PRO 95 CO 0.50 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 177.93 3l1z h ALA 96 N 1.73 0.93 -2.89 -0.75 0.00 -1.94 -3.45 119.26 112.88 3l1z h ALA 96 Ca 0.00 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 3l1z h ALA 96 Cb 0.25 -0.06 0.11 0.00 0.00 0.00 0.00 17.79 18.09 3l1z h ALA 96 CO 0.00 0.44 0.56 -0.51 0.00 0.00 0.00 179.25 179.75 3l1z s LEU 97 N -6.83 3.93 0.22 0.00 1.43 0.12 -5.04 118.68 112.51 3l1z s LEU 97 Ca 0.01 2.59 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 3l1z s LEU 97 Cb 0.10 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 3l1z s LEU 97 CO 0.68 -1.29 -0.01 0.42 0.23 0.00 0.00 176.35 176.38 3l1z s THR 98 N -1.40 1.01 0.12 5.49 -4.23 -1.26 -4.96 115.64 110.41 3l1z s THR 98 Ca 0.68 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.88 3l1z s THR 98 Cb -0.36 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 3l1z s THR 98 CO 0.43 -0.36 1.61 0.40 -0.54 0.00 0.00 174.62 176.16 3l1z h ILE 99 N 2.51 0.28 -0.91 2.99 1.08 -1.96 -1.08 117.51 120.41 3l1z h ILE 99 Ca -0.38 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.32 3l1z h ILE 99 Cb 1.22 0.28 -0.17 0.00 -3.07 0.00 0.00 36.82 35.08 3l1z h ILE 99 CO 0.64 0.00 0.02 -1.28 -0.69 0.00 0.00 178.15 176.84 3l1z h SER 100 N -0.52 -0.44 -0.27 1.72 0.87 -1.97 0.28 113.55 113.23 3l1z h SER 100 Ca 0.05 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3l1z h SER 100 Cb 0.59 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3l1z h SER 100 CO -0.25 -0.29 0.11 0.11 -0.53 0.00 0.00 176.83 175.99 3l1z h LYS 101 N 0.05 0.40 -0.60 2.24 1.57 -1.75 -3.22 116.57 115.25 3l1z h LYS 101 Ca 0.53 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.27 3l1z h LYS 101 Cb 1.04 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 3l1z h LYS 101 CO -0.84 0.42 0.37 0.28 -0.57 0.00 0.00 179.45 179.12 3l1z h VAL 102 N 0.29 1.08 -0.77 0.50 2.07 0.75 -2.06 116.25 118.10 3l1z h VAL 102 Ca 0.09 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.44 3l1z h VAL 102 Cb 0.17 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 3l1z h VAL 102 CO -0.01 0.13 0.43 -0.07 0.02 0.00 0.00 177.57 178.08 3l1z h LEU 103 N 0.74 0.62 -0.22 2.57 4.07 -1.33 -0.24 115.31 121.51 3l1z h LEU 103 Ca 0.24 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 3l1z h LEU 103 Cb 0.01 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3l1z h LEU 103 CO -0.10 0.36 0.12 -0.07 -1.08 0.00 0.00 178.44 177.68 3l1z h LEU 104 N 0.74 0.27 -1.82 1.67 4.07 -1.45 0.12 115.31 118.91 3l1z h LEU 104 Ca 0.37 -0.08 0.14 0.00 0.08 0.00 0.00 57.88 58.39 3l1z h LEU 104 Cb 0.32 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 3l1z h LEU 104 CO -0.23 0.27 0.42 -1.28 -1.08 0.00 0.00 178.44 176.54 3l1z h SER 105 N 0.25 0.18 0.08 -0.43 0.87 -0.57 0.13 113.55 114.06 3l1z h SER 105 Ca 0.08 0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.36 3l1z h SER 105 Cb 0.06 -0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3l1z h SER 105 CO -0.01 0.09 -1.17 0.40 -0.53 0.00 0.00 176.83 175.61 3l1z h ILE 106 N 0.19 1.28 -0.09 2.23 2.04 -0.19 -3.17 117.51 119.80 3l1z h ILE 106 Ca 0.29 -2.38 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 3l1z h ILE 106 Cb 0.89 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 3l1z h ILE 106 CO -0.05 0.73 0.03 0.00 0.00 0.00 0.00 178.15 178.85 3l1z n SER 108 N -4.89 0.08 -0.06 0.00 3.41 0.33 -1.08 113.62 111.40 3l1z n SER 108 Ca -0.06 -0.87 -0.08 0.00 -0.26 0.00 0.00 58.87 57.60 3l1z n SER 108 Cb 0.14 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 3l1z n SER 108 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3l1z n LEU 109 N -0.36 2.70 0.27 1.04 7.94 -0.77 -3.79 117.00 124.03 3l1z n LEU 109 Ca 0.00 -0.06 0.14 0.00 -1.11 0.00 0.00 56.01 54.98 3l1z n LEU 109 Cb 0.02 -0.38 0.77 0.00 0.53 0.00 0.00 43.42 44.36 3l1z n LEU 109 CO 0.00 0.67 1.00 -0.07 -1.11 0.00 0.00 177.39 177.88 3l1z h LEU 110 N 0.00 0.00 0.16 -1.96 3.38 -0.36 -2.39 115.31 114.14 3l1z h LEU 110 Ca -0.28 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.35 3l1z h LEU 110 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3l1z h LEU 110 CO -0.04 0.09 -1.73 0.00 0.09 0.00 0.00 178.44 176.86 3l1z s ASP 112 N -7.17 2.02 0.39 0.00 1.11 -0.92 -4.89 116.67 107.21 3l1z s ASP 112 Ca -0.15 -0.42 -0.03 0.00 0.18 0.00 0.00 52.55 52.14 3l1z s ASP 112 Cb 0.06 -0.23 -0.04 0.00 1.07 0.00 0.00 42.92 43.79 3l1z s ASP 112 CO 0.85 -0.32 0.64 -2.84 1.18 0.00 0.00 175.17 174.68 3l1z s PRO 113 N 2.14 3.53 -0.36 8.23 0.02 -1.10 -4.26 135.00 143.20 3l1z s PRO 113 Ca 0.03 -0.08 -0.05 0.00 0.02 0.00 0.00 61.00 60.92 3l1z s PRO 113 Cb -0.15 -2.55 0.07 0.00 0.02 0.00 0.00 34.50 31.89 3l1z s PRO 113 CO -0.07 0.03 0.14 -0.80 -0.33 0.00 0.00 177.00 175.96 3l1z s ASN 114 N -3.92 5.27 0.00 2.53 0.01 -1.26 -4.94 114.94 112.63 3l1z s ASN 114 Ca 0.43 -1.47 0.23 0.00 -0.71 0.00 0.00 52.86 51.35 3l1z s ASN 114 Cb -0.10 -1.85 0.14 0.00 0.41 0.00 0.00 41.25 39.85 3l1z s ASN 114 CO 0.38 -0.41 1.17 -2.65 -1.51 0.00 0.00 177.10 174.08 3l1z n PRO 115 N 4.73 0.67 0.11 -0.60 -0.02 -1.26 -3.73 135.00 134.89 3l1z n PRO 115 Ca -0.10 -0.51 0.12 0.00 -2.02 0.00 0.00 63.50 60.99 3l1z n PRO 115 Cb 0.43 -1.49 0.20 0.00 -0.02 0.00 0.00 33.50 32.62 3l1z n PRO 115 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3l1z h ASP 116 N 1.25 0.00 -2.43 2.55 5.19 -1.96 -3.35 116.42 117.68 3l1z h ASP 116 Ca 0.00 -0.09 -0.59 0.00 -0.62 0.00 0.00 57.03 55.73 3l1z h ASP 116 Cb 0.61 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.72 3l1z h ASP 116 CO 0.00 0.04 -0.83 -0.67 -3.12 0.00 0.00 179.24 174.66 3l1z n ASP 117 N -2.42 1.35 -4.89 6.45 -0.08 -1.24 -5.12 116.55 110.59 3l1z n ASP 117 Ca 0.03 -2.86 -0.32 0.00 -1.51 0.00 0.00 54.79 50.13 3l1z n ASP 117 Cb 0.47 -0.65 -0.05 0.00 2.34 0.00 0.00 41.12 43.24 3l1z n ASP 117 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3l1z s PRO 118 N -1.09 3.65 0.09 -0.67 0.04 -1.26 -4.89 135.00 130.87 3l1z s PRO 118 Ca 0.33 -0.03 0.16 0.00 0.04 0.00 0.00 61.00 61.50 3l1z s PRO 118 Cb 0.07 -2.87 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 3l1z s PRO 118 CO -0.14 0.48 0.93 1.25 0.04 0.00 0.00 177.00 179.57 3l1z h LEU 119 N 3.00 0.00 -6.93 -3.56 5.85 -0.29 -3.42 115.31 109.96 3l1z h LEU 119 Ca -0.47 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.65 3l1z h LEU 119 Cb 1.17 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.80 3l1z h LEU 119 CO 0.71 0.60 -0.76 -0.69 -0.34 0.00 0.00 178.44 177.96 3l1z s VAL 120 N -2.90 1.10 0.17 1.05 1.01 0.54 -4.86 120.40 116.51 3l1z s VAL 120 Ca -0.02 -2.26 -0.18 0.00 0.00 0.00 0.00 61.98 59.52 3l1z s VAL 120 Cb 0.08 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.78 3l1z s VAL 120 CO 0.80 -0.89 1.65 -0.65 0.00 0.00 0.00 175.10 176.01 3l1z h PRO 121 N 6.94 -0.06 -0.85 2.72 0.11 -1.83 -1.66 132.00 137.36 3l1z h PRO 121 Ca -0.01 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.23 3l1z h PRO 121 Cb 0.95 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.93 3l1z h PRO 121 CO 0.44 -0.04 -0.42 0.93 -0.21 0.00 0.00 178.00 178.70 3l1z h GLU 122 N -0.06 -0.07 -0.45 1.05 3.07 -1.97 0.12 114.58 116.26 3l1z h GLU 122 Ca 0.19 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 3l1z h GLU 122 Cb 0.36 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3l1z h GLU 122 CO -0.44 -0.05 0.12 0.82 -1.40 0.00 0.00 179.01 178.07 3l1z h ILE 123 N -0.07 1.23 -0.97 3.13 2.04 -1.79 -2.88 117.51 118.20 3l1z h ILE 123 Ca 0.27 -0.79 0.18 0.00 1.00 0.00 0.00 64.86 65.52 3l1z h ILE 123 Cb 0.56 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 3l1z h ILE 123 CO -0.87 0.28 0.61 0.00 0.00 0.00 0.00 178.15 178.17 3l1z h ALA 124 N 0.98 1.80 -0.23 1.87 0.00 0.06 0.11 119.26 123.85 3l1z h ALA 124 Ca 0.14 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3l1z h ALA 124 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3l1z h ALA 124 CO -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 179.25 178.71 3l1z h ARG 125 N 0.70 0.55 -0.44 0.00 3.08 -0.86 -2.31 114.38 115.10 3l1z h ARG 125 Ca 0.53 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3l1z h ARG 125 Cb 0.90 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3l1z h ARG 125 CO -0.30 0.86 0.03 0.82 -1.07 0.00 0.00 179.97 180.31 3l1z h ILE 126 N 0.45 1.26 0.12 2.04 5.03 -0.74 -0.24 117.51 125.42 3l1z h ILE 126 Ca 0.04 -0.99 0.02 0.00 -0.12 0.00 0.00 64.86 63.81 3l1z h ILE 126 Cb 0.91 1.03 -0.04 0.00 -3.03 0.00 0.00 36.82 35.70 3l1z h ILE 126 CO 0.08 0.34 -0.28 0.22 -0.68 0.00 0.00 178.15 177.83 3l1z h TYR 127 N 0.61 -0.75 0.69 1.37 3.20 -1.01 0.19 116.97 121.28 3l1z h TYR 127 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3l1z h TYR 127 Cb 0.45 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3l1z h TYR 127 CO 0.03 -0.38 -0.49 0.87 -1.64 0.00 0.00 178.16 176.55 3l1z h LYS 128 N -0.49 -1.09 0.03 1.82 1.57 -1.31 -3.30 116.57 113.80 3l1z h LYS 128 Ca 0.03 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3l1z h LYS 128 Cb 0.52 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3l1z h LYS 128 CO -0.16 -0.73 -0.01 1.79 -0.57 0.00 0.00 179.45 179.77 3l1z h THR 129 N -1.13 1.41 -2.87 -0.16 1.35 -1.02 -3.42 112.91 107.07 3l1z h THR 129 Ca -0.09 -1.61 -0.60 0.00 -0.55 0.00 0.00 66.41 63.56 3l1z h THR 129 Cb 0.93 2.45 -0.40 0.00 -1.73 0.00 0.00 68.15 69.40 3l1z h THR 129 CO 0.05 0.40 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.33 3l1z s ASP 130 N -5.85 3.40 0.10 5.36 -1.08 0.67 -4.99 116.67 114.29 3l1z s ASP 130 Ca -0.16 -2.71 -0.25 0.00 -0.52 0.00 0.00 52.55 48.90 3l1z s ASP 130 Cb -0.00 -0.93 -0.11 0.00 -1.46 0.00 0.00 42.92 40.42 3l1z s ASP 130 CO 0.62 -0.25 1.68 0.03 0.52 0.00 0.00 175.17 177.77 3l1z h ARG 131 N 6.54 -0.31 -0.86 4.34 2.47 -1.63 -2.65 114.38 122.27 3l1z h ARG 131 Ca 0.04 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.95 3l1z h ARG 131 Cb 0.92 0.07 -0.16 0.00 -1.65 0.00 0.00 29.97 29.15 3l1z h ARG 131 CO 0.46 -0.21 -0.27 -0.44 0.56 0.00 0.00 179.97 180.07 3l1z h ASP 132 N -0.33 -1.00 -0.12 7.04 3.32 -1.93 0.31 116.42 123.72 3l1z h ASP 132 Ca 0.02 0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.36 3l1z h ASP 132 Cb 0.33 0.59 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 3l1z h ASP 132 CO -0.07 -0.29 -0.49 0.50 -1.72 0.00 0.00 179.24 177.17 3l1z h LYS 133 N -0.02 -0.51 -0.11 3.56 1.63 -1.83 -1.63 116.57 117.67 3l1z h LYS 133 Ca 0.38 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.23 3l1z h LYS 133 Cb 0.62 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 3l1z h LYS 133 CO -0.89 -0.34 -0.25 -0.92 -3.45 0.00 0.00 179.45 173.60 3l1z h TYR 134 N -0.53 -0.76 -0.69 1.91 3.20 -0.14 -0.73 116.97 119.22 3l1z h TYR 134 Ca 0.03 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.08 3l1z h TYR 134 Cb 0.61 0.35 -0.12 0.00 1.54 0.00 0.00 36.73 39.11 3l1z h TYR 134 CO -0.57 -0.24 -0.07 -0.91 -1.64 0.00 0.00 178.16 174.73 3l1z h ASN 135 N -0.24 -0.45 0.12 -2.11 2.35 -0.96 0.27 115.58 114.57 3l1z h ASN 135 Ca 0.02 0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3l1z h ASN 135 Cb 0.30 0.36 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3l1z h ASN 135 CO -0.23 -0.19 -0.40 -0.09 -1.65 0.00 0.00 177.43 174.87 3l1z h ARG 136 N 0.06 -0.61 -0.25 0.81 2.43 -0.83 -1.77 114.38 114.22 3l1z h ARG 136 Ca 0.36 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.59 3l1z h ARG 136 Cb 0.59 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 3l1z h ARG 136 CO -0.65 -0.41 0.09 0.82 -1.51 0.00 0.00 179.97 178.31 3l1z h ILE 137 N -0.63 0.94 -0.83 1.20 2.04 0.20 0.41 117.51 120.84 3l1z h ILE 137 Ca 0.02 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 65.98 3l1z h ILE 137 Cb 0.66 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.36 3l1z h ILE 137 CO -0.23 0.04 0.38 0.28 0.00 0.00 0.00 178.15 178.62 3l1z h SER 138 N 0.21 0.40 -0.22 1.72 0.02 -0.33 0.08 113.55 115.43 3l1z h SER 138 Ca 0.11 0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.98 3l1z h SER 138 Cb 0.07 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3l1z h SER 138 CO -0.11 0.13 -0.58 0.03 -1.14 0.00 0.00 176.83 175.16 3l1z h ARG 139 N 0.52 0.82 -0.76 3.45 3.08 -0.67 -0.10 114.38 120.71 3l1z h ARG 139 Ca 0.47 -0.54 0.11 0.00 0.07 0.00 0.00 59.98 60.09 3l1z h ARG 139 Cb 0.74 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3l1z h ARG 139 CO -0.42 1.17 0.50 0.93 -1.07 0.00 0.00 179.97 181.08 3l1z h GLU 140 N 0.62 0.59 0.11 0.04 5.08 0.87 0.23 114.58 122.12 3l1z h GLU 140 Ca 0.00 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3l1z h GLU 140 Cb 1.18 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.31 3l1z h GLU 140 CO 0.12 0.39 -0.75 -1.49 -1.00 0.00 0.00 179.01 176.29 3l1z h TRP 141 N 0.61 0.41 -0.40 4.33 4.06 -0.96 -3.07 115.95 120.92 3l1z h TRP 141 Ca 0.36 -0.30 0.12 0.00 2.06 0.00 0.00 58.89 61.13 3l1z h TRP 141 Cb 0.56 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.68 3l1z h TRP 141 CO -0.00 1.29 0.37 1.15 -3.56 0.00 0.00 178.44 177.69 3l1z h THR 142 N -0.51 0.51 -0.02 1.49 2.02 -0.59 0.12 112.91 115.93 3l1z h THR 142 Ca -0.14 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3l1z h THR 142 Cb 1.52 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3l1z h THR 142 CO 0.10 0.00 -0.14 1.56 0.37 0.00 0.00 175.52 177.41 3l1z h GLN 143 N 0.00 0.13 0.00 6.66 1.08 -0.54 -2.91 115.11 119.53 3l1z h GLN 143 Ca 0.19 -0.11 -0.24 0.00 -1.45 0.00 0.00 58.65 57.04 3l1z h GLN 143 Cb 0.93 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.34 3l1z h GLN 143 CO -0.00 0.79 -1.81 0.36 -0.95 0.00 0.00 178.83 177.22 3l1z n LYS 144 N -4.62 0.65 -0.06 1.46 2.85 -0.93 -3.98 118.16 113.53 3l1z n LYS 144 Ca -0.09 0.14 -0.20 0.00 -1.05 0.00 0.00 58.31 57.11 3l1z n LYS 144 Cb 0.41 -1.70 -0.13 0.00 -0.65 0.00 0.00 35.03 32.96 3l1z n LYS 144 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3l1z n TYR 145 N -2.84 0.67 -1.10 5.58 4.01 0.39 -4.51 117.16 119.37 3l1z n TYR 145 Ca -0.17 0.15 -0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3l1z n TYR 145 Cb 0.96 -1.09 0.28 0.00 -0.31 0.00 0.00 39.34 39.18 3l1z n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3l1z n ALA 146 N -3.17 3.99 -0.67 -0.72 0.00 -1.10 -4.84 120.51 114.00 3l1z n ALA 146 Ca -0.39 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.58 3l1z n ALA 146 Cb 1.01 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3l1z n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50