#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3g n ASN 3 N 0.00 1.51 -2.93 6.43 4.13 -1.26 -3.38 115.26 119.75 1l3g n ASN 3 Ca 0.00 -1.65 -0.14 0.00 1.68 0.00 0.00 54.58 54.47 1l3g n ASN 3 Cb 0.00 -0.08 0.11 0.00 -1.54 0.00 0.00 39.78 38.26 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1l3g n GLN 4 N 0.21 -1.36 -3.65 3.52 10.64 -1.26 -4.64 117.38 120.84 1l3g n GLN 4 Ca 0.16 -0.86 -0.38 0.00 -1.83 0.00 0.00 57.00 54.09 1l3g n GLN 4 Cb 0.31 -0.69 -0.08 0.00 -0.86 0.00 0.00 30.24 28.92 1l3g n GLN 4 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1l3g s ILE 5 N -2.09 4.06 0.83 -0.39 2.07 -1.26 -4.21 121.20 120.20 1l3g s ILE 5 Ca 0.33 -2.89 -0.12 0.00 -1.41 0.00 0.00 60.65 56.57 1l3g s ILE 5 Cb -0.02 -3.61 0.09 0.00 0.13 0.00 0.00 42.46 39.04 1l3g s ILE 5 CO 0.25 -0.91 1.11 -0.31 -1.91 0.00 0.00 174.94 173.17 1l3g s TYR 6 N -0.04 2.76 0.14 3.50 2.02 0.13 -4.70 117.35 121.16 1l3g s TYR 6 Ca 0.17 1.05 0.10 0.00 -0.37 0.00 0.00 57.07 58.03 1l3g s TYR 6 Cb -0.18 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.13 1l3g s TYR 6 CO -0.04 -1.92 -0.23 0.45 -1.57 0.00 0.00 175.55 172.24 1l3g s SER 7 N -3.97 3.55 0.08 2.29 0.15 -1.26 0.33 113.70 114.87 1l3g s SER 7 Ca 0.62 -0.71 -0.13 0.00 0.70 0.00 0.00 55.95 56.43 1l3g s SER 7 Cb -0.14 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 1l3g s SER 7 CO 0.54 0.17 0.30 0.00 1.20 0.00 0.00 173.24 175.44 1l3g s ALA 8 N -1.22 -0.62 -0.28 5.45 0.00 0.54 -4.31 121.76 121.31 1l3g s ALA 8 Ca 0.17 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1l3g s ALA 8 Cb -0.10 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.58 1l3g s ALA 8 CO 0.08 -0.52 -0.06 0.50 0.00 0.00 0.00 175.76 175.76 1l3g s ARG 9 N -3.35 2.01 0.13 0.00 6.06 -1.26 0.36 118.95 122.91 1l3g s ARG 9 Ca 0.01 -1.49 -0.05 0.00 -2.50 0.00 0.00 55.73 51.69 1l3g s ARG 9 Cb 0.02 -2.97 -0.02 0.00 0.06 0.00 0.00 34.95 32.03 1l3g s ARG 9 CO -0.08 -0.68 0.16 0.71 -2.50 0.00 0.00 175.30 172.91 1l3g s TYR 10 N 1.05 0.58 -1.48 5.12 1.51 -0.08 -4.86 117.35 119.19 1l3g s TYR 10 Ca -0.03 -0.97 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 1l3g s TYR 10 Cb -0.20 -0.26 0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1l3g s TYR 10 CO -0.06 -0.59 0.36 -1.13 -1.11 0.00 0.00 175.55 173.02 1l3g n SER 11 N -0.13 -5.30 0.00 2.29 3.41 -1.26 -0.27 113.62 112.37 1l3g n SER 11 Ca -0.08 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1l3g n SER 11 Cb 0.63 -4.35 0.00 0.00 -0.26 0.00 0.00 64.21 60.23 1l3g n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1l3g n GLY 12 N -1.24 1.60 3.05 5.00 0.00 -1.26 -4.93 105.19 107.41 1l3g n GLY 12 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1l3g n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l3g s VAL 13 N -2.34 0.84 0.65 1.61 1.01 0.63 -5.06 120.40 117.73 1l3g s VAL 13 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1l3g s VAL 13 Cb 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1l3g s VAL 13 CO 0.00 0.24 1.04 -0.62 0.00 0.00 0.00 175.10 175.75 1l3g s ASP 14 N -0.25 5.77 0.35 3.32 -1.08 -1.26 -0.90 116.67 122.62 1l3g s ASP 14 Ca 0.04 1.17 -0.05 0.00 -0.52 0.00 0.00 52.55 53.19 1l3g s ASP 14 Cb -0.04 -2.10 0.01 0.00 -1.46 0.00 0.00 42.92 39.33 1l3g s ASP 14 CO -0.00 -1.11 0.54 0.68 0.52 0.00 0.00 175.17 175.80 1l3g s VAL 15 N -3.23 0.00 -0.08 1.11 -7.23 1.14 0.16 120.40 112.28 1l3g s VAL 15 Ca 0.56 -1.48 -0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1l3g s VAL 15 Cb -0.11 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1l3g s VAL 15 CO 0.51 0.00 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.95 1l3g s TYR 16 N -2.88 3.02 -0.22 2.82 2.02 -1.23 0.20 117.35 121.09 1l3g s TYR 16 Ca 0.28 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1l3g s TYR 16 Cb -0.01 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.83 1l3g s TYR 16 CO 0.19 0.36 -0.15 -1.83 -1.57 0.00 0.00 175.55 172.55 1l3g s GLU 17 N -0.78 2.66 -0.01 -0.62 1.03 0.99 -2.30 118.70 119.68 1l3g s GLU 17 Ca 0.12 -1.06 0.02 0.00 0.03 0.00 0.00 54.97 54.08 1l3g s GLU 17 Cb -0.11 -2.73 -0.00 0.00 -0.80 0.00 0.00 34.13 30.49 1l3g s GLU 17 CO 0.02 -0.37 -0.07 0.12 -1.33 0.00 0.00 175.26 173.63 1l3g s PHE 18 N 1.21 0.60 0.09 4.83 5.36 -0.59 0.17 117.98 129.66 1l3g s PHE 18 Ca -0.01 -0.12 -0.30 0.00 -0.96 0.00 0.00 56.93 55.54 1l3g s PHE 18 Cb -0.16 -0.40 -0.05 0.00 -0.34 0.00 0.00 43.02 42.07 1l3g s PHE 18 CO -0.09 -0.02 1.01 0.42 -1.46 0.00 0.00 175.22 175.08 1l3g s ILE 19 N -0.10 4.44 0.00 3.12 -1.09 -1.09 0.35 121.20 126.83 1l3g s ILE 19 Ca 0.02 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1l3g s ILE 19 Cb -0.03 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1l3g s ILE 19 CO -0.00 0.26 0.00 1.57 -1.23 0.00 0.00 174.94 175.54 1l3g n HIS 20 N 3.06 0.00 -0.23 3.97 -0.00 3.87 -4.77 115.22 121.12 1l3g n HIS 20 Ca 0.04 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.16 1l3g n HIS 20 Cb 0.49 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.46 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1l3g h SER 21 N 0.00 1.00 -0.55 0.26 0.02 -1.89 -1.79 113.55 110.59 1l3g h SER 21 Ca 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1l3g h SER 21 Cb 0.00 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1l3g h SER 21 CO 0.00 0.94 0.00 1.07 -1.14 0.00 0.00 176.83 177.70 1l3g n THR 22 N -4.25 1.11 0.00 -2.27 5.66 -1.26 -4.99 114.28 108.27 1l3g n THR 22 Ca 0.05 -0.86 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 1l3g n THR 22 Cb 0.23 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1l3g n THR 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1l3g n GLY 23 N 1.20 1.35 3.80 1.09 0.00 -0.67 -4.89 105.19 107.07 1l3g n GLY 23 Ca 0.20 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 1l3g n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3g s SER 24 N -4.00 7.15 -0.16 1.61 0.15 -1.22 0.76 113.70 117.98 1l3g s SER 24 Ca 0.00 1.41 -0.01 0.00 0.70 0.00 0.00 55.95 58.06 1l3g s SER 24 Cb 0.00 -2.41 -0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1l3g s SER 24 CO 0.00 0.18 -0.13 -0.63 1.20 0.00 0.00 173.24 173.86 1l3g s ILE 25 N -1.26 2.84 -0.14 6.45 1.09 1.06 -4.55 121.20 126.70 1l3g s ILE 25 Ca 0.35 -0.71 0.02 0.00 -1.10 0.00 0.00 60.65 59.22 1l3g s ILE 25 Cb -0.20 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.99 1l3g s ILE 25 CO 0.22 0.50 -0.20 -0.04 -0.10 0.00 0.00 174.94 175.32 1l3g s MET 26 N 0.85 3.10 0.36 2.79 -1.94 -0.97 -1.54 119.30 121.95 1l3g s MET 26 Ca -0.04 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.20 1l3g s MET 26 Cb -0.15 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1l3g s MET 26 CO -0.00 0.03 0.31 -1.59 -0.01 0.00 0.00 175.02 173.76 1l3g s LYS 27 N 0.74 2.66 -0.05 2.03 -2.85 -1.10 -4.07 119.74 117.10 1l3g s LYS 27 Ca -0.08 -1.37 -0.27 0.00 -1.00 0.00 0.00 55.97 53.24 1l3g s LYS 27 Cb -0.16 -2.44 -0.03 0.00 -2.06 0.00 0.00 37.83 33.14 1l3g s LYS 27 CO 0.00 0.01 0.88 1.03 0.10 0.00 0.00 175.35 177.38 1l3g s ARG 28 N -4.03 4.48 0.08 1.78 1.81 0.19 -3.49 118.95 119.76 1l3g s ARG 28 Ca 0.43 1.21 -0.18 0.00 -1.72 0.00 0.00 55.73 55.47 1l3g s ARG 28 Cb -0.05 -3.48 -0.09 0.00 -0.45 0.00 0.00 34.95 30.88 1l3g s ARG 28 CO 0.27 -0.08 1.47 -0.22 -0.68 0.00 0.00 175.30 176.06 1l3g h LYS 29 N 6.88 0.49 -0.64 3.54 3.64 0.13 4.52 116.57 135.12 1l3g h LYS 29 Ca -0.38 -0.19 0.11 0.00 -1.27 0.00 0.00 60.65 58.91 1l3g h LYS 29 Cb 1.19 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.87 1l3g h LYS 29 CO 0.77 0.72 -0.37 1.57 -2.27 0.00 0.00 179.45 179.87 1l3g h LYS 30 N 0.22 -0.15 -0.14 1.90 2.10 -1.93 -2.62 116.57 115.94 1l3g h LYS 30 Ca 0.06 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1l3g h LYS 30 Cb 0.55 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1l3g h LYS 30 CO 0.03 -0.10 0.00 -3.47 -2.00 0.00 0.00 179.45 173.90 1l3g n ASP 31 N -5.43 2.34 -3.67 7.07 -0.08 -1.21 -4.99 116.55 110.58 1l3g n ASP 31 Ca 0.04 -1.94 -0.21 0.00 -1.51 0.00 0.00 54.79 51.16 1l3g n ASP 31 Cb 0.36 -0.10 0.04 0.00 2.34 0.00 0.00 41.12 43.77 1l3g n ASP 31 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1l3g n ASP 32 N -0.02 -1.84 -4.85 1.67 5.68 1.47 -3.76 116.55 114.89 1l3g n ASP 32 Ca 0.05 -0.77 -0.31 0.00 -0.50 0.00 0.00 54.79 53.26 1l3g n ASP 32 Cb 0.31 -4.28 0.02 0.00 -1.14 0.00 0.00 41.12 36.04 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1l3g s TRP 33 N -3.57 3.44 0.06 2.11 0.52 -0.28 0.23 118.94 121.45 1l3g s TRP 33 Ca 0.08 1.35 0.05 0.00 0.02 0.00 0.00 56.10 57.61 1l3g s TRP 33 Cb -0.04 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.47 1l3g s TRP 33 CO 0.80 -0.83 -0.14 0.54 0.02 0.00 0.00 176.95 177.33 1l3g s VAL 34 N -3.07 1.14 -0.55 4.03 0.11 3.27 -0.64 120.40 124.69 1l3g s VAL 34 Ca 0.57 -1.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.18 1l3g s VAL 34 Cb -0.12 -1.07 -0.06 0.00 -1.53 0.00 0.00 36.38 33.60 1l3g s VAL 34 CO 0.52 -0.11 2.25 0.21 -3.33 0.00 0.00 175.10 174.63 1l3g s ASN 35 N -1.47 4.65 0.62 3.54 2.47 -1.26 0.64 114.94 124.13 1l3g s ASN 35 Ca 0.00 0.77 0.22 0.00 0.42 0.00 0.00 52.86 54.27 1l3g s ASN 35 Cb -0.09 -2.51 0.88 0.00 -1.45 0.00 0.00 41.25 38.08 1l3g s ASN 35 CO 0.02 -2.80 1.38 0.00 -3.72 0.00 0.00 177.10 171.98 1l3g h ALA 36 N 17.75 2.56 0.17 1.71 0.00 0.32 0.31 119.26 142.08 1l3g h ALA 36 Ca -0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1l3g h ALA 36 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1l3g h ALA 36 CO 1.17 -1.35 -0.08 1.15 0.00 0.00 0.00 179.25 180.14 1l3g h THR 37 N 0.00 0.91 -0.18 0.00 2.02 -1.83 5.71 112.91 119.54 1l3g h THR 37 Ca 0.32 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1l3g h THR 37 Cb 2.33 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1l3g h THR 37 CO -0.00 0.08 0.15 -0.74 0.37 0.00 0.00 175.52 175.37 1l3g h HIS 38 N -0.38 0.00 0.03 3.16 -0.00 -0.71 4.37 115.15 121.62 1l3g h HIS 38 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.08 1l3g h HIS 38 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1l3g h HIS 38 CO -0.02 0.00 -1.48 -0.89 -0.00 0.00 0.00 177.93 175.54 1l3g n ILE 39 N -4.23 1.59 -0.11 6.26 -0.00 -0.70 -3.28 119.36 118.89 1l3g n ILE 39 Ca 0.01 -0.18 -0.22 0.00 -0.00 0.00 0.00 62.75 62.36 1l3g n ILE 39 Cb 0.28 -1.97 -0.11 0.00 -0.00 0.00 0.00 39.64 37.84 1l3g n ILE 39 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1l3g n LEU 40 N -4.22 1.87 0.25 1.39 7.99 1.85 -3.90 117.00 122.23 1l3g n LEU 40 Ca -0.33 0.42 0.11 0.00 -0.01 0.00 0.00 56.01 56.20 1l3g n LEU 40 Cb 0.77 -0.95 0.64 0.00 -0.11 0.00 0.00 43.42 43.77 1l3g n LEU 40 CO 0.23 0.29 0.92 0.50 -1.51 0.00 0.00 177.39 177.82 1l3g h LYS 41 N -1.00 0.00 0.00 3.23 1.63 0.77 -0.03 116.57 121.17 1l3g h LYS 41 Ca -0.38 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1l3g h LYS 41 Cb 1.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1l3g h LYS 41 CO -0.23 0.16 -0.15 0.00 -3.45 0.00 0.00 179.45 175.79 1l3g h ALA 42 N 1.84 1.34 -0.05 5.00 0.00 0.25 0.31 119.26 127.94 1l3g h ALA 42 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1l3g h ALA 42 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1l3g h ALA 42 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1l3g n ALA 43 N -2.32 2.20 0.00 0.00 0.00 -0.71 -4.77 120.51 114.90 1l3g n ALA 43 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1l3g n ALA 43 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1l3g n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1l3g n ASN 44 N -0.12 0.85 0.00 0.00 0.23 -0.11 -5.09 115.26 111.02 1l3g n ASN 44 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1l3g n ASN 44 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1l3g n ASN 44 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1l3g n PHE 45 N -1.71 0.00 -2.48 -2.53 -0.00 0.10 -4.79 117.46 106.05 1l3g n PHE 45 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 1l3g n PHE 45 Cb 0.11 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.48 39.50 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1l3g s ALA 46 N -2.72 2.58 0.00 3.13 0.00 -1.26 -3.60 121.76 119.89 1l3g s ALA 46 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1l3g s ALA 46 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1l3g s ALA 46 CO 0.00 -3.72 0.00 1.63 0.00 0.00 0.00 175.76 173.67 1l3g n LYS 47 N 8.97 0.00 0.15 0.00 5.02 -1.26 -4.88 118.16 126.16 1l3g n LYS 47 Ca 0.29 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.77 1l3g n LYS 47 Cb 0.50 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 36.25 1l3g n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l3g h ALA 48 N 1.33 1.94 0.07 7.82 0.00 -1.99 0.35 119.26 128.77 1l3g h ALA 48 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1l3g h ALA 48 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1l3g h ALA 48 CO 0.00 -0.62 -0.03 0.87 0.00 0.00 0.00 179.25 179.46 1l3g h LYS 49 N 0.00 -0.09 0.00 0.00 1.79 -1.93 -2.81 116.57 113.53 1l3g h LYS 49 Ca 0.15 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1l3g h LYS 49 Cb 1.07 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1l3g h LYS 49 CO -0.00 0.32 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.58 1l3g h ARG 50 N -0.52 0.00 -0.41 3.15 9.65 -0.41 1.19 114.38 127.03 1l3g h ARG 50 Ca -0.01 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 1l3g h ARG 50 Cb 0.45 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1l3g h ARG 50 CO 0.01 0.02 -0.22 0.00 2.80 0.00 0.00 179.97 182.59 1l3g h THR 51 N 0.00 1.27 0.00 0.20 1.03 -1.06 -1.59 112.91 112.76 1l3g h THR 51 Ca -0.00 -1.34 -0.13 0.00 -0.01 0.00 0.00 66.41 64.93 1l3g h THR 51 Cb 0.05 1.18 -0.02 0.00 -1.07 0.00 0.00 68.15 68.29 1l3g h THR 51 CO 0.00 0.45 -1.08 0.54 -0.01 0.00 0.00 175.52 175.42 1l3g n ARG 52 N -4.11 0.52 -0.21 0.00 1.74 -0.38 -2.57 116.66 111.64 1l3g n ARG 52 Ca 0.00 0.45 -0.03 0.00 -0.77 0.00 0.00 57.85 57.50 1l3g n ARG 52 Cb 0.43 -1.64 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1l3g h ILE 53 N -1.00 0.23 0.45 0.55 2.04 0.13 2.87 117.51 122.77 1l3g h ILE 53 Ca -0.19 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1l3g h ILE 53 Cb 0.97 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1l3g h ILE 53 CO -0.12 0.00 -0.22 0.25 0.00 0.00 0.00 178.15 178.07 1l3g h LEU 54 N -0.10 -0.51 -0.25 1.44 7.12 -1.42 0.56 115.31 122.15 1l3g h LEU 54 Ca 0.27 -0.09 0.06 0.00 0.13 0.00 0.00 57.88 58.25 1l3g h LEU 54 Cb 0.53 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 1l3g h LEU 54 CO -0.69 -0.13 -0.14 -0.08 -0.13 0.00 0.00 178.44 177.27 1l3g h GLU 55 N -0.98 -0.11 -0.18 1.25 4.81 -1.08 7.90 114.58 126.19 1l3g h GLU 55 Ca -0.06 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1l3g h GLU 55 Cb 0.57 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1l3g h GLU 55 CO 0.10 -0.08 -0.28 1.57 -0.73 0.00 0.00 179.01 179.60 1l3g h LYS 56 N -0.12 0.34 0.01 1.92 2.10 0.51 1.80 116.57 123.13 1l3g h LYS 56 Ca 0.14 -0.13 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 1l3g h LYS 56 Cb 0.32 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 1l3g h LYS 56 CO -0.32 0.60 -0.81 0.93 -2.00 0.00 0.00 179.45 177.84 1l3g h GLU 57 N 0.30 0.02 0.11 0.07 5.08 0.16 -3.32 114.58 117.00 1l3g h GLU 57 Ca 0.04 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1l3g h GLU 57 Cb 0.65 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.93 1l3g h GLU 57 CO 0.05 1.02 -0.68 -0.24 -1.00 0.00 0.00 179.01 178.16 1l3g h VAL 58 N -0.94 1.55 -0.87 3.13 3.04 1.67 -1.07 116.25 122.76 1l3g h VAL 58 Ca -0.22 -2.47 0.23 0.00 -1.01 0.00 0.00 66.70 63.23 1l3g h VAL 58 Cb 1.23 3.19 -0.15 0.00 -2.01 0.00 0.00 31.29 33.55 1l3g h VAL 58 CO -0.11 0.69 0.13 0.25 -1.01 0.00 0.00 177.57 177.52 1l3g h LEU 59 N -0.45 -0.20 0.00 3.16 7.12 0.31 0.51 115.31 125.76 1l3g h LEU 59 Ca -0.12 0.22 -0.17 0.00 0.13 0.00 0.00 57.88 57.94 1l3g h LEU 59 Cb 1.52 0.34 -0.03 0.00 -0.53 0.00 0.00 40.66 41.96 1l3g h LEU 59 CO 0.13 -0.21 -1.07 0.50 -0.13 0.00 0.00 178.44 177.65 1l3g h LYS 60 N 0.13 0.00 -5.18 1.25 1.63 -1.64 -3.44 116.57 109.31 1l3g h LYS 60 Ca 0.53 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.70 1l3g h LYS 60 Cb 1.06 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.49 1l3g h LYS 60 CO -0.72 0.54 -0.61 -2.00 -3.45 0.00 0.00 179.45 173.20 1l3g s GLU 61 N -2.84 3.79 0.00 1.90 2.12 0.18 -4.91 118.70 118.93 1l3g s GLU 61 Ca -0.00 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1l3g s GLU 61 Cb 0.08 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1l3g s GLU 61 CO 0.79 0.12 0.00 2.41 -0.54 0.00 0.00 175.26 178.04 1l3g n THR 62 N 3.98 0.00 -3.83 -1.70 -1.04 -1.25 -4.33 114.28 106.11 1l3g n THR 62 Ca -0.17 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.49 1l3g n THR 62 Cb 0.52 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.93 1l3g n THR 62 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1l3g s HIS 63 N 0.00 3.26 0.02 -1.42 -3.43 -1.00 -3.97 115.29 108.77 1l3g s HIS 63 Ca 0.00 0.08 0.02 0.00 -0.80 0.00 0.00 55.06 54.36 1l3g s HIS 63 Cb 0.00 -2.17 -0.02 0.00 -1.43 0.00 0.00 32.58 28.96 1l3g s HIS 63 CO 0.00 0.07 -0.07 -1.21 -2.00 0.00 0.00 174.74 171.53 1l3g s GLU 64 N 0.77 0.48 -0.20 -0.38 2.02 -1.22 -4.88 118.70 115.29 1l3g s GLU 64 Ca 0.05 -0.54 -0.10 0.00 0.02 0.00 0.00 54.97 54.40 1l3g s GLU 64 Cb -0.13 -0.33 -0.05 0.00 0.10 0.00 0.00 34.13 33.72 1l3g s GLU 64 CO 0.02 0.07 0.13 0.21 0.02 0.00 0.00 175.26 175.71 1l3g s LYS 65 N -1.03 4.17 -0.17 1.61 2.20 -0.71 -1.21 119.74 124.61 1l3g s LYS 65 Ca -0.06 -0.23 -0.21 0.00 -0.36 0.00 0.00 55.97 55.12 1l3g s LYS 65 Cb -0.07 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1l3g s LYS 65 CO 0.00 0.28 0.62 0.14 -0.36 0.00 0.00 175.35 176.02 1l3g s VAL 66 N 0.43 5.05 0.03 4.02 -7.23 0.13 -4.90 120.40 117.93 1l3g s VAL 66 Ca 0.08 1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 61.39 1l3g s VAL 66 Cb -0.11 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.87 1l3g s VAL 66 CO -0.01 0.16 0.07 -1.10 -0.31 0.00 0.00 175.10 173.90 1l3g s GLN 67 N 1.57 0.54 0.00 4.82 -1.52 -1.26 -4.28 119.66 119.53 1l3g s GLN 67 Ca 0.30 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 52.95 1l3g s GLN 67 Cb -0.16 0.21 0.00 0.00 -0.22 0.00 0.00 33.01 32.84 1l3g s GLN 67 CO 0.11 -0.13 0.00 0.41 -0.25 0.00 0.00 175.29 175.44 1l3g n GLY 68 N 0.88 0.84 0.00 3.09 0.00 -1.26 -3.81 105.19 104.93 1l3g n GLY 68 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1l3g n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l3g n GLY 69 N -2.00 0.38 3.33 -0.02 0.00 -1.26 -5.02 105.19 100.61 1l3g n GLY 69 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1l3g n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l3g s PHE 70 N -2.00 4.01 0.00 1.61 0.08 -1.25 -4.31 117.98 116.12 1l3g s PHE 70 Ca 0.00 -2.34 0.00 0.00 0.12 0.00 0.00 56.93 54.71 1l3g s PHE 70 Cb 0.00 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1l3g s PHE 70 CO 0.00 -0.97 0.00 0.41 -0.10 0.00 0.00 175.22 174.56 1l3g n GLY 71 N 3.35 0.97 0.01 4.36 0.00 -1.26 -4.28 105.19 108.34 1l3g n GLY 71 Ca 0.19 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1l3g n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1l3g n LYS 72 N -1.88 0.02 0.11 1.61 0.00 -1.26 -1.59 118.16 115.17 1l3g n LYS 72 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 58.31 58.54 1l3g n LYS 72 Cb 0.07 -1.54 -0.00 0.00 0.00 0.00 0.00 35.03 33.56 1l3g n LYS 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1l3g h TYR 73 N 0.00 0.00 0.03 5.64 5.03 -1.89 -3.36 116.97 122.42 1l3g h TYR 73 Ca 0.00 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 60.96 1l3g h TYR 73 Cb 0.32 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.56 1l3g h TYR 73 CO 0.00 0.53 -1.99 1.04 -1.32 0.00 0.00 178.16 176.41 1l3g n GLN 74 N -3.14 0.63 0.00 1.82 3.00 -0.82 -4.30 117.38 114.57 1l3g n GLN 74 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1l3g n GLN 74 Cb 0.76 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.37 1l3g n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1l3g n GLY 75 N 1.63 1.46 3.00 1.08 0.00 -0.62 -4.12 105.19 107.62 1l3g n GLY 75 Ca -0.41 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1l3g n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l3g n THR 76 N 0.00 4.51 -1.61 2.61 -1.04 -0.35 -0.70 114.28 117.70 1l3g n THR 76 Ca 0.00 -5.64 -0.30 0.00 -2.04 0.00 0.00 64.05 56.07 1l3g n THR 76 Cb 0.00 -2.22 0.07 0.00 -1.82 0.00 0.00 70.33 66.36 1l3g n THR 76 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 1l3g s TRP 77 N -2.29 3.03 0.12 -1.42 -2.14 -1.10 0.26 118.94 115.40 1l3g s TRP 77 Ca 0.32 1.25 -0.02 0.00 2.66 0.00 0.00 56.10 60.30 1l3g s TRP 77 Cb 0.02 -3.00 -0.03 0.00 -3.10 0.00 0.00 33.47 27.35 1l3g s TRP 77 CO 0.03 -1.45 0.08 0.14 -2.66 0.00 0.00 176.95 173.09 1l3g s VAL 78 N -3.14 0.11 -0.25 -0.66 -7.23 2.85 -3.44 120.40 108.65 1l3g s VAL 78 Ca 0.59 -1.80 -0.34 0.00 -1.81 0.00 0.00 61.98 58.61 1l3g s VAL 78 Cb -0.14 -1.93 -0.11 0.00 0.56 0.00 0.00 36.38 34.76 1l3g s VAL 78 CO 0.54 -0.51 2.06 -2.65 -0.31 0.00 0.00 175.10 174.24 1l3g n PRO 79 N -0.09 1.55 -0.26 4.82 -0.02 -1.26 0.69 135.00 140.44 1l3g n PRO 79 Ca -0.07 0.49 0.31 0.00 -2.02 0.00 0.00 63.50 62.21 1l3g n PRO 79 Cb 0.63 -2.61 0.71 0.00 -0.02 0.00 0.00 33.50 32.22 1l3g n PRO 79 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1l3g h LEU 80 N 11.41 0.05 -0.87 2.45 5.85 0.27 3.34 115.31 137.82 1l3g h LEU 80 Ca -0.37 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1l3g h LEU 80 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1l3g h LEU 80 CO 0.98 0.01 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.76 1l3g h ASN 81 N 0.05 0.61 0.00 1.25 -0.00 -1.82 -1.68 115.58 113.98 1l3g h ASN 81 Ca 0.50 -0.20 -0.36 0.00 -0.00 0.00 0.00 56.30 56.25 1l3g h ASN 81 Cb 1.92 -0.17 -0.07 0.00 -0.00 0.00 0.00 38.32 40.01 1l3g h ASN 81 CO -0.04 0.81 -2.35 -0.38 -0.00 0.00 0.00 177.43 175.48 1l3g n ILE 82 N -4.13 1.35 0.36 2.57 5.41 0.18 -3.88 119.36 121.22 1l3g n ILE 82 Ca 0.00 -0.66 -0.16 0.00 1.00 0.00 0.00 62.75 62.93 1l3g n ILE 82 Cb 0.40 -0.97 -0.08 0.00 -0.71 0.00 0.00 39.64 38.28 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l3g h ALA 83 N 0.43 -0.92 -0.17 -1.39 0.00 0.58 -1.28 119.26 116.50 1l3g h ALA 83 Ca -0.53 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.19 1l3g h ALA 83 Cb 1.99 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 1l3g h ALA 83 CO -0.03 -0.92 0.12 -0.22 0.00 0.00 0.00 179.25 178.19 1l3g h LYS 84 N -1.11 0.11 0.00 0.00 3.64 -1.45 0.17 116.57 117.93 1l3g h LYS 84 Ca -0.09 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1l3g h LYS 84 Cb 0.74 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1l3g h LYS 84 CO 0.15 0.07 -0.39 0.37 -2.27 0.00 0.00 179.45 177.39 1l3g h GLN 85 N 0.11 0.00 0.15 1.90 -0.00 -1.62 0.61 115.11 116.26 1l3g h GLN 85 Ca 0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.38 1l3g h GLN 85 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 1l3g h GLN 85 CO -0.01 0.39 -1.82 1.25 0.00 0.00 0.00 178.83 178.64 1l3g h LEU 86 N 0.00 0.50 0.00 -2.39 6.46 0.22 -3.37 115.31 116.72 1l3g h LEU 86 Ca -0.00 -0.93 -0.00 0.00 -0.12 0.00 0.00 57.88 56.82 1l3g h LEU 86 Cb 0.85 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1l3g h LEU 86 CO 0.05 1.80 -0.36 0.00 -0.62 0.00 0.00 178.44 179.31 1l3g h ALA 87 N 0.06 0.00 -0.64 1.25 0.00 -0.74 -3.35 119.26 115.85 1l3g h ALA 87 Ca -0.38 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.35 1l3g h ALA 87 Cb 2.02 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 20.14 1l3g h ALA 87 CO 0.12 0.35 0.90 -0.85 0.00 0.00 0.00 179.25 179.77 1l3g n GLU 88 N -4.66 0.01 0.00 0.00 0.28 0.21 -0.67 120.64 115.81 1l3g n GLU 88 Ca -0.05 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.71 1l3g n GLU 88 Cb 0.19 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.13 1l3g n GLU 88 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1l3g n LYS 89 N -2.62 0.00 -0.05 3.44 4.81 -1.25 -3.80 118.16 118.69 1l3g n LYS 89 Ca 0.14 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.64 1l3g n LYS 89 Cb 1.09 -0.05 0.08 0.00 0.02 0.00 0.00 35.03 36.16 1l3g n LYS 89 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1l3g n PHE 90 N 0.00 0.12 0.00 5.64 7.35 -1.10 -4.09 117.46 125.38 1l3g n PHE 90 Ca 0.00 -0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1l3g n PHE 90 Cb 0.00 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.82 1l3g n PHE 90 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1l3g n SER 91 N 0.68 0.00 -0.07 -2.13 7.64 0.15 -4.63 113.62 115.26 1l3g n SER 91 Ca 0.09 0.41 0.01 0.00 1.01 0.00 0.00 58.87 60.38 1l3g n SER 91 Cb 0.34 -0.28 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1l3g n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1l3g n VAL 92 N -1.33 1.05 -0.63 0.44 0.24 -0.98 -4.38 118.33 112.73 1l3g n VAL 92 Ca 0.00 -1.07 0.49 0.00 -2.04 0.00 0.00 64.34 61.72 1l3g n VAL 92 Cb 0.00 0.46 0.75 0.00 -1.47 0.00 0.00 33.84 33.58 1l3g n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l3g n TYR 93 N -0.44 0.00 -0.08 6.34 0.18 -1.20 -0.56 117.16 121.39 1l3g n TYR 93 Ca 0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.70 1l3g n TYR 93 Cb 0.29 -0.45 -0.04 0.00 -0.38 0.00 0.00 39.34 38.75 1l3g n TYR 93 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1l3g n ASP 94 N -3.78 1.83 0.20 9.48 -0.08 -1.26 -3.91 116.55 119.02 1l3g n ASP 94 Ca 0.41 0.57 -0.16 0.00 -1.51 0.00 0.00 54.79 54.10 1l3g n ASP 94 Cb 1.92 -0.89 -0.08 0.00 2.34 0.00 0.00 41.12 44.40 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1l3g h GLN 95 N -1.00 -0.76 -1.49 -0.67 7.50 -1.39 -0.93 115.11 116.37 1l3g h GLN 95 Ca -0.10 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1l3g h GLN 95 Cb 0.74 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.45 1l3g h GLN 95 CO -0.06 -0.51 0.00 1.28 -1.50 0.00 0.00 178.83 178.04 1l3g n LEU 96 N -5.50 3.13 -0.33 1.46 4.32 0.27 -4.23 117.00 116.12 1l3g n LEU 96 Ca -0.09 -1.49 0.02 0.00 -0.02 0.00 0.00 56.01 54.43 1l3g n LEU 96 Cb 0.41 -0.59 0.16 0.00 -1.62 0.00 0.00 43.42 41.77 1l3g n LEU 96 CO 0.23 0.56 1.21 0.11 -1.22 0.00 0.00 177.39 178.28 1l3g h LYS 97 N 0.83 0.96 0.38 3.23 1.57 -1.28 0.14 116.57 122.40 1l3g h LYS 97 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1l3g h LYS 97 Cb 0.81 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1l3g h LYS 97 CO 0.00 0.64 -0.18 -1.00 -0.57 0.00 0.00 179.45 178.34 1l3g h PRO 98 N 0.99 -0.49 -0.71 3.15 0.13 -1.84 0.82 132.00 134.05 1l3g h PRO 98 Ca 0.40 0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.74 1l3g h PRO 98 Cb 0.23 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 1l3g h PRO 98 CO -0.19 -0.22 0.49 1.25 -0.23 0.00 0.00 178.00 179.10 1l3g h LEU 99 N -1.04 0.21 0.00 1.56 5.85 -1.78 0.60 115.31 120.71 1l3g h LEU 99 Ca -0.05 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1l3g h LEU 99 Cb 0.50 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1l3g h LEU 99 CO 0.09 0.10 -1.29 0.49 -0.34 0.00 0.00 178.44 177.49 1l3g n PHE 100 N -4.42 0.93 0.91 1.25 3.72 0.46 -3.92 117.46 116.39 1l3g n PHE 100 Ca 0.14 0.29 0.12 0.00 -0.05 0.00 0.00 57.45 57.95 1l3g n PHE 100 Cb 0.62 -1.02 0.21 0.00 -0.94 0.00 0.00 39.48 38.36 1l3g n PHE 100 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1l3g n ASP 101 N -2.78 0.55 -4.46 4.37 8.00 0.28 -4.76 116.55 117.75 1l3g n ASP 101 Ca -0.06 -0.22 -0.41 0.00 0.71 0.00 0.00 54.79 54.81 1l3g n ASP 101 Cb 0.72 0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 42.01 1l3g n ASP 101 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1l3g s PHE 102 N -3.04 3.23 0.00 1.24 5.36 0.19 -4.81 117.98 120.15 1l3g s PHE 102 Ca 0.10 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 1l3g s PHE 102 Cb 0.17 -2.49 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1l3g s PHE 102 CO 0.71 -0.51 0.00 -2.37 -1.46 0.00 0.00 175.22 171.60 1l3g n THR 103 N 5.08 0.00 -4.08 0.12 5.66 -1.26 -4.90 114.28 114.90 1l3g n THR 103 Ca -0.12 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.66 1l3g n THR 103 Cb 0.48 -0.18 -0.05 0.00 -1.55 0.00 0.00 70.33 69.03 1l3g n THR 103 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1l3g s GLN 104 N -1.38 2.62 -0.07 1.09 -0.21 -1.26 -5.10 119.66 115.35 1l3g s GLN 104 Ca 0.00 -1.30 -0.22 0.00 0.02 0.00 0.00 55.36 53.86 1l3g s GLN 104 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1l3g s GLN 104 CO 0.00 0.25 0.63 0.99 -2.12 0.00 0.00 175.29 175.04 1l3g s THR 105 N -2.28 5.06 0.00 -0.19 2.01 -1.26 -4.83 115.64 114.15 1l3g s THR 105 Ca 0.36 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.65 1l3g s THR 105 Cb -0.06 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1l3g s THR 105 CO 0.24 0.29 0.00 0.47 -0.69 0.00 0.00 174.62 174.93 1l3g n ASP 106 N 3.60 0.00 0.00 3.53 9.92 -1.26 -3.82 116.55 128.51 1l3g n ASP 106 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1l3g n ASP 106 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l3g n GLY 107 N 0.17 1.92 3.88 0.44 0.00 -1.26 -5.04 105.19 105.31 1l3g n GLY 107 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1l3g n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l3g s SER 108 N -2.02 6.56 0.01 1.61 1.04 -1.25 -4.95 113.70 114.70 1l3g s SER 108 Ca 0.00 0.92 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 1l3g s SER 108 Cb 0.00 -2.23 -0.10 0.00 0.10 0.00 0.00 66.02 63.80 1l3g s SER 108 CO 0.00 -0.18 0.49 0.00 0.98 0.00 0.00 173.24 174.53 1l3g n ALA 109 N -0.61 -2.02 -3.01 5.32 0.00 -1.26 -4.75 120.51 114.18 1l3g n ALA 109 Ca 0.00 0.28 -0.44 0.00 0.00 0.00 0.00 53.44 53.28 1l3g n ALA 109 Cb 0.53 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1l3g n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l3g s SER 110 N -0.06 6.74 0.88 0.00 0.15 -1.26 -4.99 113.70 115.15 1l3g s SER 110 Ca 0.43 -2.33 -0.12 0.00 0.70 0.00 0.00 55.95 54.63 1l3g s SER 110 Cb -0.60 -2.36 0.12 0.00 -1.71 0.00 0.00 66.02 61.46 1l3g s SER 110 CO 0.28 -0.92 1.11 -2.16 1.20 0.00 0.00 173.24 172.75 1l3g s PRO 111 N 2.00 1.43 0.74 5.44 0.04 -1.26 -4.99 135.00 138.40 1l3g s PRO 111 Ca 0.32 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 1l3g s PRO 111 Cb -0.05 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1l3g s PRO 111 CO -0.08 -2.05 1.05 -2.30 0.04 0.00 0.00 177.00 173.66 1l3g n PRO 112 N -3.70 0.46 0.00 0.56 -0.02 -1.26 -4.98 135.00 126.06 1l3g n PRO 112 Ca 0.07 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1l3g n PRO 112 Cb 0.57 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1l3g n PRO 112 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1l3g n PRO 113 N -2.24 0.00 -1.49 0.52 -0.02 -1.26 -4.67 135.00 125.84 1l3g n PRO 113 Ca 0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1l3g n PRO 113 Cb 0.50 -0.16 0.01 0.00 -0.02 0.00 0.00 33.50 33.83 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l3g n ALA 114 N -3.00 -1.08 -1.68 3.55 0.00 -1.26 -4.78 120.51 112.27 1l3g n ALA 114 Ca 0.00 0.17 -0.45 0.00 0.00 0.00 0.00 53.44 53.16 1l3g n ALA 114 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 1l3g n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1l3g n PRO 115 N 0.42 2.18 -1.24 0.00 -0.02 -1.26 -4.64 135.00 130.43 1l3g n PRO 115 Ca 0.11 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1l3g n PRO 115 Cb 0.40 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 1l3g n PRO 115 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1l3g n LYS 116 N 2.58 0.03 -4.40 -0.52 3.00 -1.26 -4.80 118.16 112.79 1l3g n LYS 116 Ca 0.13 -0.14 -0.29 0.00 -0.00 0.00 0.00 58.31 58.00 1l3g n LYS 116 Cb 0.31 -1.30 -0.17 0.00 0.00 0.00 0.00 35.03 33.88 1l3g n LYS 116 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1l3g s HIS 117 N 1.72 2.13 0.38 5.64 -3.43 -1.26 -5.10 115.29 115.37 1l3g s HIS 117 Ca 0.57 -1.06 -0.26 0.00 -0.80 0.00 0.00 55.06 53.51 1l3g s HIS 117 Cb -0.32 -1.52 -0.11 0.00 -1.43 0.00 0.00 32.58 29.19 1l3g s HIS 117 CO 0.22 -0.54 1.16 0.72 -2.00 0.00 0.00 174.74 174.31 1l3g n HIS 118 N 4.30 1.78 -1.89 0.38 8.25 -1.26 -4.82 115.22 121.96 1l3g n HIS 118 Ca -0.19 0.56 -0.42 0.00 -0.26 0.00 0.00 57.72 57.41 1l3g n HIS 118 Cb 0.51 -2.33 -0.03 0.00 1.12 0.00 0.00 29.99 29.27 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1l3g s HIS 119 N -1.17 1.61 0.05 4.41 0.09 -1.26 -4.86 115.29 114.15 1l3g s HIS 119 Ca 0.60 0.66 -0.18 0.00 -0.00 0.00 0.00 55.06 56.14 1l3g s HIS 119 Cb -0.56 -4.05 -0.10 0.00 -0.00 0.00 0.00 32.58 27.87 1l3g s HIS 119 CO 0.59 -3.16 0.42 0.00 -0.00 0.00 0.00 174.74 172.59 1l3g n ALA 120 N 11.03 -2.05 -3.11 -1.40 0.00 -1.26 -4.80 120.51 118.92 1l3g n ALA 120 Ca 0.25 0.27 -0.45 0.00 0.00 0.00 0.00 53.44 53.51 1l3g n ALA 120 Cb 0.47 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 1l3g n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1l3g s SER 121 N -0.24 6.18 -0.75 0.00 0.01 -1.26 -4.99 113.70 112.65 1l3g s SER 121 Ca 0.40 -1.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.10 1l3g s SER 121 Cb -0.57 -2.29 0.20 0.00 0.21 0.00 0.00 66.02 63.56 1l3g s SER 121 CO 0.29 -1.08 0.67 -0.75 0.41 0.00 0.00 173.24 172.77 1l3g s LYS 122 N 2.59 3.32 0.25 12.44 2.47 -1.26 -5.05 119.74 134.50 1l3g s LYS 122 Ca 0.11 -2.38 -0.16 0.00 -1.56 0.00 0.00 55.97 51.98 1l3g s LYS 122 Cb -0.24 -4.27 -0.08 0.00 -1.46 0.00 0.00 37.83 31.77 1l3g s LYS 122 CO 0.06 -1.27 0.70 0.08 0.16 0.00 0.00 175.35 175.08 1l3g s VAL 123 N 0.30 4.67 -2.00 4.02 1.01 -1.26 -5.32 120.40 121.82 1l3g s VAL 123 Ca 0.16 1.04 0.16 0.00 0.00 0.00 0.00 61.98 63.34 1l3g s VAL 123 Cb -0.14 -3.73 0.45 0.00 0.00 0.00 0.00 36.38 32.96 1l3g s VAL 123 CO -0.06 0.03 1.36 -0.67 0.00 0.00 0.00 175.10 175.76