#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 0.00 -3.12 6.43 3.02 -1.26 -4.65 115.26 115.68 1l3g n ASN 3 Ca 0.00 -1.81 -0.17 0.00 -0.03 0.00 0.00 54.58 52.57 1l3g n ASN 3 Cb 0.00 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.32 1l3g n ASN 3 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1l3g n GLN 4 N -0.51 -2.47 -3.82 3.52 7.27 -1.26 -3.32 117.38 116.78 1l3g n GLN 4 Ca 0.00 -0.99 -0.33 0.00 0.07 0.00 0.00 57.00 55.75 1l3g n GLN 4 Cb 0.00 -0.97 -0.11 0.00 2.41 0.00 0.00 30.24 31.56 1l3g n GLN 4 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1l3g s ILE 5 N -2.07 3.23 1.10 1.69 1.10 -1.26 -4.46 121.20 120.51 1l3g s ILE 5 Ca 0.41 -3.25 -0.15 0.00 -0.51 0.00 0.00 60.65 57.15 1l3g s ILE 5 Cb -0.04 -3.14 0.17 0.00 0.15 0.00 0.00 42.46 39.59 1l3g s ILE 5 CO 0.32 -0.86 0.58 -1.22 -2.11 0.00 0.00 174.94 171.65 1l3g n TYR 6 N 3.16 -1.10 -4.49 3.50 4.01 -1.09 -4.73 117.16 116.41 1l3g n TYR 6 Ca 0.08 0.07 -0.32 0.00 -0.16 0.00 0.00 57.90 57.57 1l3g n TYR 6 Cb 0.35 -1.70 -0.11 0.00 -0.31 0.00 0.00 39.34 37.57 1l3g n TYR 6 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1l3g s SER 7 N -2.17 4.49 0.03 7.72 0.15 -1.26 -0.18 113.70 122.48 1l3g s SER 7 Ca 0.62 -0.19 -0.08 0.00 0.70 0.00 0.00 55.95 57.00 1l3g s SER 7 Cb -0.20 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1l3g s SER 7 CO 0.65 0.28 0.17 0.00 1.20 0.00 0.00 173.24 175.54 1l3g s ALA 8 N -0.98 -0.30 -0.16 5.45 0.00 12.12 -4.30 121.76 133.59 1l3g s ALA 8 Ca 0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1l3g s ALA 8 Cb -0.11 0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.32 1l3g s ALA 8 CO 0.07 -0.33 0.34 -0.98 0.00 0.00 0.00 175.76 174.86 1l3g s ARG 9 N -2.37 0.25 0.17 0.00 1.70 -1.21 0.89 118.95 118.38 1l3g s ARG 9 Ca -0.07 0.82 -0.05 0.00 -0.47 0.00 0.00 55.73 55.96 1l3g s ARG 9 Cb -0.02 0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.41 1l3g s ARG 9 CO -0.03 -0.23 0.21 0.71 -1.08 0.00 0.00 175.30 174.88 1l3g s TYR 10 N 2.14 0.70 -1.18 5.89 2.02 0.11 -4.85 117.35 122.18 1l3g s TYR 10 Ca -0.03 -1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 55.63 1l3g s TYR 10 Cb -0.11 -0.26 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 1l3g s TYR 10 CO -0.11 -0.68 0.06 0.45 -1.57 0.00 0.00 175.55 173.70 1l3g n SER 11 N -0.22 -4.22 0.00 2.29 2.88 -1.26 0.74 113.62 113.83 1l3g n SER 11 Ca -0.04 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1l3g n SER 11 Cb 0.64 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 60.54 1l3g n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1l3g n GLY 12 N -0.88 3.00 3.87 0.46 0.00 -1.26 -4.99 105.19 105.39 1l3g n GLY 12 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.14 4.83 -0.20 1.61 1.01 0.23 -5.07 120.40 120.67 1l3g s VAL 13 Ca 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1l3g s VAL 13 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1l3g s VAL 13 CO 0.00 -0.20 -0.02 -0.62 0.00 0.00 0.00 175.10 174.26 1l3g s ASP 14 N -2.53 4.64 0.32 3.32 -1.08 -1.26 0.07 116.67 120.16 1l3g s ASP 14 Ca 0.50 -0.26 -0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1l3g s ASP 14 Cb -0.11 -1.79 -0.01 0.00 -1.46 0.00 0.00 42.92 39.56 1l3g s ASP 14 CO 0.22 0.05 0.39 0.68 0.52 0.00 0.00 175.17 177.04 1l3g s VAL 15 N 1.06 0.00 0.13 1.11 -7.23 5.25 0.58 120.40 121.29 1l3g s VAL 15 Ca 0.02 -1.73 0.10 0.00 -1.81 0.00 0.00 61.98 58.56 1l3g s VAL 15 Cb -0.14 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1l3g s VAL 15 CO 0.01 0.00 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.23 1l3g s TYR 16 N -3.29 2.21 -0.24 2.82 2.02 -1.20 1.33 117.35 121.00 1l3g s TYR 16 Ca 0.34 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1l3g s TYR 16 Cb 0.01 -1.19 0.05 0.00 -0.40 0.00 0.00 41.96 40.43 1l3g s TYR 16 CO 0.21 0.33 -0.13 -1.83 -1.57 0.00 0.00 175.55 172.56 1l3g s GLU 17 N -2.10 2.48 0.06 -0.62 -1.05 0.75 -2.66 118.70 115.57 1l3g s GLU 17 Ca 0.13 -1.18 0.06 0.00 -0.15 0.00 0.00 54.97 53.82 1l3g s GLU 17 Cb -0.10 -2.81 -0.03 0.00 -0.44 0.00 0.00 34.13 30.75 1l3g s GLU 17 CO 0.06 -0.46 -0.16 0.12 0.95 0.00 0.00 175.26 175.77 1l3g s PHE 18 N 1.17 1.34 0.07 4.83 5.36 -0.26 -2.66 117.98 127.83 1l3g s PHE 18 Ca -0.05 -0.40 -0.30 0.00 -0.96 0.00 0.00 56.93 55.22 1l3g s PHE 18 Cb -0.18 -0.77 -0.05 0.00 -0.34 0.00 0.00 43.02 41.68 1l3g s PHE 18 CO -0.07 0.07 1.00 0.42 -1.46 0.00 0.00 175.22 175.18 1l3g s ILE 19 N -1.05 4.52 0.00 3.12 -1.09 -1.01 0.51 121.20 126.21 1l3g s ILE 19 Ca 0.01 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1l3g s ILE 19 Cb -0.09 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1l3g s ILE 19 CO 0.02 0.24 0.00 1.41 -1.23 0.00 0.00 174.94 175.38 1l3g n HIS 20 N 3.25 0.00 -0.26 3.97 8.25 3.48 -4.82 115.22 129.08 1l3g n HIS 20 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1l3g n HIS 20 Cb 0.49 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.66 1l3g n HIS 20 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1l3g h SER 21 N 0.00 0.98 -0.59 0.41 4.64 -1.92 -1.73 113.55 115.35 1l3g h SER 21 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1l3g h SER 21 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1l3g h SER 21 CO 0.00 0.87 0.00 1.07 -0.87 0.00 0.00 176.83 177.90 1l3g n THR 22 N -4.37 0.86 0.00 2.95 5.66 -1.26 -4.92 114.28 113.19 1l3g n THR 22 Ca 0.06 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1l3g n THR 22 Cb 0.16 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 1.40 1.37 3.73 1.09 0.00 -0.65 -4.89 105.19 107.24 1l3g n GLY 23 Ca 0.20 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 7.31 -0.14 1.61 0.15 -1.18 0.71 113.70 118.16 1l3g s SER 24 Ca 0.00 1.96 0.01 0.00 0.70 0.00 0.00 55.95 58.62 1l3g s SER 24 Cb 0.00 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1l3g s SER 24 CO 0.00 -0.22 -0.16 -0.63 1.20 0.00 0.00 173.24 173.43 1l3g s ILE 25 N 0.13 2.64 -0.16 6.45 1.01 1.92 -4.35 121.20 128.83 1l3g s ILE 25 Ca 0.50 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1l3g s ILE 25 Cb -0.27 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 1l3g s ILE 25 CO 0.32 0.52 -0.15 -0.04 0.00 0.00 0.00 174.94 175.60 1l3g s MET 26 N 0.64 3.23 0.36 2.79 -1.94 -1.09 -1.10 119.30 122.19 1l3g s MET 26 Ca -0.09 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1l3g s MET 26 Cb -0.16 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 1l3g s MET 26 CO 0.02 0.01 0.23 0.15 -0.01 0.00 0.00 175.02 175.43 1l3g s LYS 27 N 0.84 2.50 -0.05 2.03 1.02 -1.09 -4.29 119.74 120.70 1l3g s LYS 27 Ca -0.05 -1.49 -0.21 0.00 0.02 0.00 0.00 55.97 54.25 1l3g s LYS 27 Cb -0.15 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1l3g s LYS 27 CO -0.00 0.04 0.60 0.50 -0.92 0.00 0.00 175.35 175.57 1l3g s ARG 28 N -3.95 4.36 0.26 1.68 3.52 -1.09 -3.44 118.95 120.30 1l3g s ARG 28 Ca 0.41 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 1l3g s ARG 28 Cb -0.03 -3.40 0.35 0.00 -1.56 0.00 0.00 34.95 30.31 1l3g s ARG 28 CO 0.25 0.21 1.71 -0.22 -0.81 0.00 0.00 175.30 176.44 1l3g h LYS 29 N 6.29 0.59 0.01 5.12 3.64 1.52 2.91 116.57 136.66 1l3g h LYS 29 Ca -0.43 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 58.76 1l3g h LYS 29 Cb 1.19 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1l3g h LYS 29 CO 0.73 0.76 -0.49 0.87 -2.27 0.00 0.00 179.45 179.05 1l3g h LYS 30 N 0.53 -0.62 -0.12 1.90 1.57 -1.93 -3.15 116.57 114.74 1l3g h LYS 30 Ca 0.08 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1l3g h LYS 30 Cb 0.65 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1l3g h LYS 30 CO 0.05 -0.41 0.00 -0.25 -0.57 0.00 0.00 179.45 178.26 1l3g n ASP 31 N -5.46 2.55 -3.81 0.86 9.92 -1.21 -5.01 116.55 114.39 1l3g n ASP 31 Ca -0.07 -2.37 -0.35 0.00 -0.53 0.00 0.00 54.79 51.47 1l3g n ASP 31 Cb 0.39 -0.22 0.03 0.00 -0.64 0.00 0.00 41.12 40.68 1l3g n ASP 31 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1l3g n ASP 32 N -0.46 -4.98 -4.92 -2.24 2.03 0.97 -4.39 116.55 102.57 1l3g n ASP 32 Ca 0.09 -1.08 -0.26 0.00 0.52 0.00 0.00 54.79 54.06 1l3g n ASP 32 Cb 0.46 -2.69 -0.01 0.00 -0.72 0.00 0.00 41.12 38.17 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1l3g s TRP 33 N -3.42 3.54 0.07 -0.67 0.52 -1.06 -2.84 118.94 115.08 1l3g s TRP 33 Ca 0.42 0.64 0.08 0.00 0.02 0.00 0.00 56.10 57.26 1l3g s TRP 33 Cb -0.18 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 1l3g s TRP 33 CO 0.90 -0.11 -0.21 0.08 0.02 0.00 0.00 176.95 177.63 1l3g s VAL 34 N -2.56 1.73 -0.46 4.03 1.01 0.98 -2.68 120.40 122.45 1l3g s VAL 34 Ca 0.45 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1l3g s VAL 34 Cb -0.10 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 1l3g s VAL 34 CO 0.41 0.10 2.35 0.21 0.00 0.00 0.00 175.10 178.17 1l3g s ASN 35 N -1.52 4.63 0.56 3.32 3.84 -1.24 0.41 114.94 124.94 1l3g s ASN 35 Ca 0.08 1.17 0.23 0.00 0.21 0.00 0.00 52.86 54.54 1l3g s ASN 35 Cb -0.09 -2.50 0.78 0.00 -0.55 0.00 0.00 41.25 38.88 1l3g s ASN 35 CO 0.03 -2.72 1.17 0.00 -2.79 0.00 0.00 177.10 172.79 1l3g n ALA 36 N 15.14 0.85 0.15 1.71 0.00 2.89 0.75 120.51 142.01 1l3g n ALA 36 Ca 0.35 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1l3g n ALA 36 Cb 0.53 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 1l3g n ALA 36 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1l3g h THR 37 N 0.00 0.77 -0.15 0.00 2.02 -1.83 8.19 112.91 121.92 1l3g h THR 37 Ca 0.42 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1l3g h THR 37 Cb 2.64 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 1l3g h THR 37 CO -0.00 0.07 0.13 -0.74 0.37 0.00 0.00 175.52 175.34 1l3g h HIS 38 N -0.52 0.00 0.05 3.16 -0.00 0.00 4.34 115.15 122.17 1l3g h HIS 38 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.05 1l3g h HIS 38 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.77 1l3g h HIS 38 CO -0.01 0.00 -1.55 1.51 -0.00 0.00 0.00 177.93 177.87 1l3g n ILE 39 N -4.19 1.63 -0.11 6.26 0.00 -0.69 -3.31 119.36 118.95 1l3g n ILE 39 Ca 0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 62.75 62.28 1l3g n ILE 39 Cb 0.25 -1.93 -0.11 0.00 0.00 0.00 0.00 39.64 37.85 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 -4.09 1.87 0.25 9.51 7.99 2.61 -4.15 117.00 130.99 1l3g n LEU 40 Ca -0.33 0.42 0.12 0.00 -0.01 0.00 0.00 56.01 56.21 1l3g n LEU 40 Cb 0.82 -0.95 0.67 0.00 -0.11 0.00 0.00 43.42 43.85 1l3g n LEU 40 CO 0.27 0.27 0.94 0.07 -1.51 0.00 0.00 177.39 177.43 1l3g h LYS 41 N -1.00 0.00 0.00 3.23 5.09 0.81 0.22 116.57 124.92 1l3g h LYS 41 Ca -0.37 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.37 1l3g h LYS 41 Cb 1.30 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.63 1l3g h LYS 41 CO -0.22 0.15 -0.01 0.00 -2.09 0.00 0.00 179.45 177.28 1l3g h ALA 42 N 1.85 1.07 0.00 0.07 0.00 0.69 0.19 119.26 123.14 1l3g h ALA 42 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1l3g h ALA 42 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1l3g h ALA 42 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1l3g n ALA 43 N -2.12 1.56 -0.49 0.00 0.00 -0.61 -4.74 120.51 114.12 1l3g n ALA 43 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1l3g n ALA 43 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1l3g n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1l3g n ASN 44 N -0.19 1.01 -1.36 0.00 3.02 0.68 -5.09 115.26 113.32 1l3g n ASN 44 Ca 0.00 -1.50 0.01 0.00 -0.03 0.00 0.00 54.58 53.06 1l3g n ASN 44 Cb 0.06 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 1l3g n ASN 44 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1l3g n PHE 45 N -0.25 -2.77 -2.80 3.10 3.72 0.65 -4.48 117.46 114.63 1l3g n PHE 45 Ca 0.00 1.50 -0.43 0.00 -0.05 0.00 0.00 57.45 58.48 1l3g n PHE 45 Cb 0.36 -2.34 -0.03 0.00 -0.94 0.00 0.00 39.48 36.54 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1l3g s ALA 46 N -4.89 3.13 0.00 4.37 0.00 -1.26 -4.05 121.76 119.05 1l3g s ALA 46 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.56 1l3g s ALA 46 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1l3g s ALA 46 CO 0.00 -3.11 0.00 1.17 0.00 0.00 0.00 175.76 173.82 1l3g n LYS 47 N 7.49 0.05 0.09 0.00 4.81 -1.26 -4.88 118.16 124.45 1l3g n LYS 47 Ca 0.20 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.84 1l3g n LYS 47 Cb 0.49 0.00 0.71 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 1.17 0.00 0.00 177.40 178.57 1l3g h ALA 48 N 1.00 2.12 0.09 3.14 0.00 -1.96 0.32 119.26 123.97 1l3g h ALA 48 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1l3g h ALA 48 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1l3g h ALA 48 CO 0.00 -0.74 -0.04 0.87 0.00 0.00 0.00 179.25 179.34 1l3g h LYS 49 N 0.00 -0.11 0.00 0.00 1.57 -1.90 -2.72 116.57 113.41 1l3g h LYS 49 Ca 0.20 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1l3g h LYS 49 Cb 1.24 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1l3g h LYS 49 CO -0.00 0.27 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.04 1l3g h ARG 50 N -0.52 0.00 -0.39 3.15 9.65 -0.55 0.94 114.38 126.66 1l3g h ARG 50 Ca -0.01 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.76 1l3g h ARG 50 Cb 0.44 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1l3g h ARG 50 CO 0.02 0.02 -0.18 1.15 2.80 0.00 0.00 179.97 183.78 1l3g h THR 51 N 0.00 1.26 0.00 0.20 2.02 -1.05 -1.44 112.91 113.91 1l3g h THR 51 Ca -0.00 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1l3g h THR 51 Cb 0.05 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1l3g h THR 51 CO 0.00 0.42 -0.64 0.54 0.37 0.00 0.00 175.52 176.21 1l3g n ARG 52 N -4.13 0.42 -0.28 6.66 1.74 -0.35 -2.97 116.66 117.74 1l3g n ARG 52 Ca 0.01 0.34 0.10 0.00 -0.77 0.00 0.00 57.85 57.53 1l3g n ARG 52 Cb 0.40 -1.44 0.24 0.00 -1.02 0.00 0.00 32.46 30.65 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 -0.86 0.35 0.49 0.55 1.08 0.70 1.45 117.51 121.27 1l3g h ILE 53 Ca 0.00 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1l3g h ILE 53 Cb 0.64 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1l3g h ILE 53 CO 0.00 0.04 -0.23 0.25 -0.69 0.00 0.00 178.15 177.51 1l3g h LEU 54 N 0.20 -0.56 -0.71 1.44 6.46 -1.36 0.73 115.31 121.51 1l3g h LEU 54 Ca 0.50 -0.07 0.12 0.00 -0.12 0.00 0.00 57.88 58.31 1l3g h LEU 54 Cb 0.95 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.94 1l3g h LEU 54 CO -0.64 -0.17 0.29 -0.08 -0.62 0.00 0.00 178.44 177.23 1l3g h GLU 55 N -1.03 0.46 -0.24 1.25 4.81 -1.12 4.36 114.58 123.07 1l3g h GLU 55 Ca -0.07 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.95 1l3g h GLU 55 Cb 0.59 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1l3g h GLU 55 CO 0.11 0.30 -0.59 -0.22 -0.73 0.00 0.00 179.01 177.88 1l3g h LYS 56 N 0.47 0.78 -0.01 1.92 1.63 0.20 2.67 116.57 124.23 1l3g h LYS 56 Ca 0.38 -0.52 -0.07 0.00 -0.85 0.00 0.00 60.65 59.58 1l3g h LYS 56 Cb 0.51 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1l3g h LYS 56 CO -0.35 1.14 -0.28 1.49 -3.45 0.00 0.00 179.45 178.00 1l3g h GLU 57 N 0.59 0.20 0.03 1.90 4.57 0.20 -3.21 114.58 118.87 1l3g h GLU 57 Ca 0.00 -0.21 -0.17 0.00 -1.18 0.00 0.00 59.36 57.81 1l3g h GLU 57 Cb 1.18 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1l3g h GLU 57 CO 0.12 0.93 -0.87 -0.24 -1.18 0.00 0.00 179.01 177.77 1l3g h VAL 58 N -0.44 1.25 -0.94 0.32 3.04 0.84 -3.28 116.25 117.04 1l3g h VAL 58 Ca -0.03 -2.30 0.25 0.00 -1.01 0.00 0.00 66.70 63.61 1l3g h VAL 58 Cb 1.02 2.75 -0.17 0.00 -2.01 0.00 0.00 31.29 32.88 1l3g h VAL 58 CO 0.06 0.51 0.05 0.25 -1.01 0.00 0.00 177.57 177.42 1l3g h LEU 59 N -0.82 -0.41 -0.26 3.16 7.12 0.48 7.15 115.31 131.73 1l3g h LEU 59 Ca -0.22 0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1l3g h LEU 59 Cb 1.32 0.44 0.00 0.00 -0.53 0.00 0.00 40.66 41.90 1l3g h LEU 59 CO -0.07 -0.31 0.00 1.17 -0.13 0.00 0.00 178.44 179.10 1l3g n LYS 60 N -5.44 0.07 -0.48 1.25 4.81 -1.21 -4.72 118.16 112.44 1l3g n LYS 60 Ca 0.22 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1l3g n LYS 60 Cb 0.71 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 34.12 1l3g n LYS 60 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1l3g n GLU 61 N -1.78 3.01 -1.48 1.64 4.07 2.30 -4.99 120.64 123.40 1l3g n GLU 61 Ca 0.03 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.86 1l3g n GLU 61 Cb 0.19 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.51 1l3g n GLU 61 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1l3g n THR 62 N -0.12 3.65 -1.91 6.31 -2.24 -1.24 -4.92 114.28 113.81 1l3g n THR 62 Ca 0.00 -2.93 -0.42 0.00 -2.27 0.00 0.00 64.05 58.42 1l3g n THR 62 Cb 0.00 -1.80 -0.03 0.00 -2.10 0.00 0.00 70.33 66.40 1l3g n THR 62 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1l3g s HIS 63 N -0.94 1.75 -0.11 4.78 -3.43 -1.19 -4.61 115.29 111.55 1l3g s HIS 63 Ca 0.60 0.07 0.02 0.00 -0.80 0.00 0.00 55.06 54.96 1l3g s HIS 63 Cb 0.33 -4.01 -0.01 0.00 -1.43 0.00 0.00 32.58 27.45 1l3g s HIS 63 CO -0.15 -4.23 -0.18 -1.21 -2.00 0.00 0.00 174.74 166.97 1l3g s GLU 64 N 4.36 3.11 -0.21 -0.38 0.41 -1.25 -4.89 118.70 119.85 1l3g s GLU 64 Ca 0.79 -0.77 -0.17 0.00 -0.41 0.00 0.00 54.97 54.41 1l3g s GLU 64 Cb -0.35 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.52 1l3g s GLU 64 CO 0.33 0.26 0.43 -1.59 -0.49 0.00 0.00 175.26 174.20 1l3g s LYS 65 N 0.19 4.15 -0.10 1.61 -2.85 -1.07 -2.35 119.74 119.32 1l3g s LYS 65 Ca -0.11 0.24 -0.20 0.00 -1.00 0.00 0.00 55.97 54.90 1l3g s LYS 65 Cb -0.16 -3.57 -0.04 0.00 -2.06 0.00 0.00 37.83 32.00 1l3g s LYS 65 CO 0.06 -0.12 0.58 0.54 0.10 0.00 0.00 175.35 176.51 1l3g s VAL 66 N 1.58 5.12 -0.01 1.79 0.11 -0.77 -4.98 120.40 123.24 1l3g s VAL 66 Ca 0.20 1.17 -0.04 0.00 -2.93 0.00 0.00 61.98 60.37 1l3g s VAL 66 Cb -0.15 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1l3g s VAL 66 CO 0.09 0.28 0.08 0.00 -3.33 0.00 0.00 175.10 172.22 1l3g s GLN 67 N 0.81 0.33 0.00 1.54 0.00 -1.25 -4.48 119.66 116.60 1l3g s GLN 67 Ca 0.31 -0.28 0.00 0.00 -0.00 0.00 0.00 55.36 55.38 1l3g s GLN 67 Cb -0.16 0.13 0.00 0.00 0.00 0.00 0.00 33.01 32.98 1l3g s GLN 67 CO 0.13 -0.07 0.00 0.41 0.00 0.00 0.00 175.29 175.77 1l3g n GLY 68 N 1.98 0.86 1.63 2.60 0.00 -1.26 -3.93 105.19 107.08 1l3g n GLY 68 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.27 0.77 3.30 -0.02 0.00 -1.26 -5.00 105.19 100.71 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 -2.92 3.60 0.00 1.61 0.08 -1.25 -4.33 117.98 114.77 1l3g s PHE 70 Ca 0.00 -1.86 0.00 0.00 0.12 0.00 0.00 56.93 55.19 1l3g s PHE 70 Cb 0.00 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1l3g s PHE 70 CO 0.00 -0.99 0.00 0.41 -0.10 0.00 0.00 175.22 174.54 1l3g n GLY 71 N 4.30 0.50 0.00 4.36 0.00 -1.26 -3.94 105.19 109.15 1l3g n GLY 71 Ca 0.05 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.04 0.38 0.03 1.61 0.00 -1.26 -1.60 118.16 115.29 1l3g n LYS 72 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 58.31 58.39 1l3g n LYS 72 Cb 0.20 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.64 1l3g n LYS 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1l3g n TYR 73 N -1.19 0.92 -0.08 5.64 4.01 -1.26 -4.34 117.16 120.85 1l3g n TYR 73 Ca 0.11 0.30 -0.23 0.00 -0.16 0.00 0.00 57.90 57.92 1l3g n TYR 73 Cb 0.12 -1.06 -0.12 0.00 -0.31 0.00 0.00 39.34 37.97 1l3g n TYR 73 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1l3g n GLN 74 N -2.85 0.65 0.00 -0.72 3.00 -0.78 -4.21 117.38 112.47 1l3g n GLN 74 Ca -0.10 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1l3g n GLN 74 Cb 0.83 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.43 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 1.73 1.55 3.09 1.08 0.00 -0.62 -4.37 105.19 107.65 1l3g n GLY 75 Ca -0.40 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1l3g n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l3g s THR 76 N 0.00 3.08 0.49 2.61 -4.23 -0.99 -1.84 115.64 114.76 1l3g s THR 76 Ca 0.00 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.27 1l3g s THR 76 Cb 0.00 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1l3g s THR 76 CO 0.00 -0.69 0.77 -1.66 -0.54 0.00 0.00 174.62 172.51 1l3g s TRP 77 N 0.98 3.44 0.06 3.99 1.48 -1.20 0.65 118.94 128.34 1l3g s TRP 77 Ca 0.10 0.65 0.00 0.00 -1.06 0.00 0.00 56.10 55.79 1l3g s TRP 77 Cb -0.22 -2.36 -0.04 0.00 -1.16 0.00 0.00 33.47 29.69 1l3g s TRP 77 CO -0.05 -0.38 -0.05 0.14 -4.06 0.00 0.00 176.95 172.56 1l3g s VAL 78 N -2.73 0.38 -0.49 -0.66 -7.23 1.39 -3.82 120.40 107.23 1l3g s VAL 78 Ca 0.48 -1.60 -0.33 0.00 -1.81 0.00 0.00 61.98 58.72 1l3g s VAL 78 Cb -0.10 -1.24 -0.13 0.00 0.56 0.00 0.00 36.38 35.48 1l3g s VAL 78 CO 0.43 -0.80 2.32 -2.65 -0.31 0.00 0.00 175.10 174.10 1l3g n PRO 79 N 0.49 0.85 -0.28 4.82 -0.02 -1.26 -0.02 135.00 139.59 1l3g n PRO 79 Ca -0.16 0.17 0.30 0.00 -2.02 0.00 0.00 63.50 61.79 1l3g n PRO 79 Cb 0.59 -2.46 0.68 0.00 -0.02 0.00 0.00 33.50 32.29 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 13.65 0.12 -2.12 2.45 6.46 -1.73 2.00 115.31 136.14 1l3g h LEU 80 Ca -0.22 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1l3g h LEU 80 Cb 1.31 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1l3g h LEU 80 CO 1.11 0.03 -0.05 0.78 -0.62 0.00 0.00 178.44 179.69 1l3g h ASN 81 N 0.11 0.00 0.00 1.25 -0.26 -1.85 -1.84 115.58 112.98 1l3g h ASN 81 Ca 0.53 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.13 1l3g h ASN 81 Cb 1.87 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.11 1l3g h ASN 81 CO -0.08 0.05 -1.51 0.00 -1.06 0.00 0.00 177.43 174.83 1l3g n ILE 82 N -4.06 0.51 0.35 2.81 3.06 0.32 -4.22 119.36 118.13 1l3g n ILE 82 Ca -0.03 -0.29 -0.16 0.00 -2.50 0.00 0.00 62.75 59.77 1l3g n ILE 82 Cb 0.14 -0.81 -0.08 0.00 0.54 0.00 0.00 39.64 39.43 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1l3g h ALA 83 N 0.30 -0.90 -0.20 1.51 0.00 0.27 -0.77 119.26 119.47 1l3g h ALA 83 Ca -0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1l3g h ALA 83 Cb 1.43 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1l3g h ALA 83 CO 0.00 -0.90 -0.01 1.57 0.00 0.00 0.00 179.25 179.92 1l3g h LYS 84 N -1.11 0.29 0.00 0.00 2.10 -1.53 -0.88 116.57 115.45 1l3g h LYS 84 Ca -0.09 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 1l3g h LYS 84 Cb 0.72 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1l3g h LYS 84 CO 0.15 0.33 -0.22 0.37 -2.00 0.00 0.00 179.45 178.08 1l3g h GLN 85 N 0.29 0.00 0.08 0.07 4.15 -1.65 0.73 115.11 118.78 1l3g h GLN 85 Ca 0.07 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.27 1l3g h GLN 85 Cb 0.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1l3g h GLN 85 CO 0.01 0.22 -1.09 1.25 -1.93 0.00 0.00 178.83 177.28 1l3g h LEU 86 N 0.00 0.28 0.00 -2.39 5.85 0.08 -3.36 115.31 115.77 1l3g h LEU 86 Ca -0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1l3g h LEU 86 Cb 0.68 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1l3g h LEU 86 CO 0.03 1.47 -0.35 0.00 -0.34 0.00 0.00 178.44 179.25 1l3g h ALA 87 N -0.09 0.00 -0.58 1.25 0.00 -1.17 -3.35 119.26 115.33 1l3g h ALA 87 Ca -0.24 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 54.48 1l3g h ALA 87 Cb 1.56 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1l3g h ALA 87 CO 0.02 0.35 0.85 -0.85 0.00 0.00 0.00 179.25 179.62 1l3g n GLU 88 N -4.64 0.01 0.00 0.00 0.28 0.25 -1.05 120.64 115.49 1l3g n GLU 88 Ca -0.05 0.73 0.00 0.00 -0.16 0.00 0.00 57.16 57.68 1l3g n GLU 88 Cb 0.18 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.22 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 -2.52 0.00 0.00 3.44 4.81 -1.24 -4.21 118.16 118.43 1l3g n LYS 89 Ca 0.13 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.62 1l3g n LYS 89 Cb 1.02 -0.04 0.03 0.00 0.02 0.00 0.00 35.03 36.06 1l3g n LYS 89 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1l3g n PHE 90 N 0.00 0.00 0.00 5.64 -1.74 -1.09 -4.53 117.46 115.74 1l3g n PHE 90 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1l3g n PHE 90 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1l3g n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1l3g n SER 91 N 0.28 0.00 -0.04 5.98 2.88 -0.22 -4.72 113.62 117.79 1l3g n SER 91 Ca 0.06 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.63 1l3g n SER 91 Cb 0.26 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.76 1l3g n SER 91 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1l3g n VAL 92 N 0.00 1.19 -0.14 2.46 3.14 -1.20 -4.86 118.33 118.92 1l3g n VAL 92 Ca 0.00 -1.31 -0.04 0.00 -2.96 0.00 0.00 64.34 60.04 1l3g n VAL 92 Cb 0.00 0.30 -0.03 0.00 -1.06 0.00 0.00 33.84 33.04 1l3g n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1l3g n TYR 93 N -0.75 -0.15 -0.05 1.45 0.18 -1.16 0.70 117.16 117.38 1l3g n TYR 93 Ca 0.05 0.43 -0.14 0.00 1.88 0.00 0.00 57.90 60.11 1l3g n TYR 93 Cb 0.40 -0.45 -0.09 0.00 -0.38 0.00 0.00 39.34 38.82 1l3g n TYR 93 CO 0.00 0.00 0.00 0.22 -2.08 0.00 0.00 176.86 175.00 1l3g h ASP 94 N 0.00 -1.72 -0.60 9.48 3.58 -1.89 -2.10 116.42 123.17 1l3g h ASP 94 Ca 0.05 0.22 0.07 0.00 0.42 0.00 0.00 57.03 57.79 1l3g h ASP 94 Cb 0.14 0.69 -0.10 0.00 1.72 0.00 0.00 39.33 41.78 1l3g h ASP 94 CO -0.32 -0.45 -0.52 -0.61 -2.88 0.00 0.00 179.24 174.46 1l3g h GLN 95 N -0.51 -0.24 -2.03 0.28 5.75 -0.11 0.35 115.11 118.60 1l3g h GLN 95 Ca 0.05 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1l3g h GLN 95 Cb 0.65 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.25 1l3g h GLN 95 CO -0.49 -0.16 -0.01 1.28 -2.65 0.00 0.00 178.83 176.80 1l3g n LEU 96 N -5.37 3.72 0.08 -2.39 4.77 -0.57 -4.29 117.00 112.96 1l3g n LEU 96 Ca -0.00 -1.74 -0.13 0.00 -0.03 0.00 0.00 56.01 54.10 1l3g n LEU 96 Cb 0.33 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1l3g n LEU 96 CO -0.04 0.74 0.74 0.11 -1.33 0.00 0.00 177.39 177.61 1l3g h LYS 97 N 2.10 -0.16 0.63 3.23 1.79 -0.15 0.34 116.57 124.35 1l3g h LYS 97 Ca 0.01 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1l3g h LYS 97 Cb 0.73 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1l3g h LYS 97 CO 0.03 0.03 -0.48 -1.35 -1.08 0.00 0.00 179.45 176.60 1l3g h PRO 98 N -0.33 -1.04 -0.14 3.15 0.11 -1.75 0.44 132.00 132.44 1l3g h PRO 98 Ca -0.02 0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1l3g h PRO 98 Cb 0.27 0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1l3g h PRO 98 CO 0.03 -0.69 0.11 1.25 -0.21 0.00 0.00 178.00 178.49 1l3g h LEU 99 N -1.08 0.00 -0.55 2.35 5.85 -1.58 0.32 115.31 120.62 1l3g h LEU 99 Ca -0.08 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 1l3g h LEU 99 Cb 0.90 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1l3g h LEU 99 CO 0.02 0.00 -0.71 -0.26 -0.34 0.00 0.00 178.44 177.15 1l3g h PHE 100 N 0.00 0.13 0.10 1.25 0.04 -0.07 -3.23 116.94 115.16 1l3g h PHE 100 Ca 0.07 -0.06 -0.30 0.00 2.80 0.00 0.00 57.97 60.48 1l3g h PHE 100 Cb 0.29 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1l3g h PHE 100 CO 0.00 0.77 -1.51 -0.44 -0.60 0.00 0.00 178.31 176.54 1l3g h ASP 101 N 0.06 0.34 -1.02 2.17 3.32 0.68 -3.50 116.42 118.48 1l3g h ASP 101 Ca -0.01 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1l3g h ASP 101 Cb 1.26 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1l3g h ASP 101 CO 0.10 1.40 0.00 0.33 -1.72 0.00 0.00 179.24 179.35 1l3g n PHE 102 N -3.43 0.00 -2.71 4.55 7.35 -0.06 -4.26 117.46 118.91 1l3g n PHE 102 Ca -0.15 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.11 1l3g n PHE 102 Cb 1.04 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.85 1l3g n PHE 102 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1l3g s THR 103 N -2.30 4.31 0.13 -2.13 2.01 -1.26 -4.99 115.64 111.40 1l3g s THR 103 Ca 0.00 -1.44 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 1l3g s THR 103 Cb 0.00 -5.00 -0.06 0.00 0.01 0.00 0.00 72.50 67.45 1l3g s THR 103 CO 0.00 -1.81 0.49 -1.58 -0.69 0.00 0.00 174.62 171.03 1l3g s GLN 104 N 3.82 3.88 0.24 4.92 0.74 -1.26 -5.09 119.66 126.91 1l3g s GLN 104 Ca 0.44 0.35 0.08 0.00 0.05 0.00 0.00 55.36 56.28 1l3g s GLN 104 Cb -0.01 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1l3g s GLN 104 CO -0.05 0.50 0.07 -0.08 -0.55 0.00 0.00 175.29 175.17 1l3g s THR 105 N -1.46 3.86 -0.80 -0.34 -1.32 -1.26 -4.94 115.64 109.38 1l3g s THR 105 Ca 0.37 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 1l3g s THR 105 Cb -0.14 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.80 1l3g s THR 105 CO 0.19 -0.30 0.00 0.47 -2.21 0.00 0.00 174.62 172.76 1l3g n ASP 106 N -0.81 0.00 0.00 8.08 8.00 -1.26 -4.29 116.55 126.27 1l3g n ASP 106 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1l3g n ASP 106 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l3g n GLY 107 N 0.52 1.36 3.94 0.44 0.00 -1.26 -5.09 105.19 105.10 1l3g n GLY 107 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1l3g n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3g s SER 108 N -2.26 5.09 0.47 1.61 0.01 -1.26 -5.01 113.70 112.35 1l3g s SER 108 Ca 0.00 0.41 -0.12 0.00 1.31 0.00 0.00 55.95 57.54 1l3g s SER 108 Cb 0.00 -1.19 -0.09 0.00 0.21 0.00 0.00 66.02 64.95 1l3g s SER 108 CO 0.00 -1.37 -0.70 0.00 0.41 0.00 0.00 173.24 171.58 1l3g n ALA 109 N -2.71 -2.31 -3.44 1.44 0.00 -1.26 -4.81 120.51 107.42 1l3g n ALA 109 Ca 0.07 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 1l3g n ALA 109 Cb 0.60 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.50 5.53 1.04 0.00 0.15 -1.26 -5.00 113.70 113.66 1l3g s SER 110 Ca 0.16 -1.65 -0.12 0.00 0.70 0.00 0.00 55.95 55.04 1l3g s SER 110 Cb 0.05 -1.94 0.21 0.00 -1.71 0.00 0.00 66.02 62.63 1l3g s SER 110 CO 0.29 -0.54 1.07 -2.16 1.20 0.00 0.00 173.24 173.10 1l3g s PRO 111 N 1.35 0.07 0.75 5.44 0.04 -1.26 -4.98 135.00 136.41 1l3g s PRO 111 Ca 0.04 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 1l3g s PRO 111 Cb -0.23 -1.67 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1l3g s PRO 111 CO 0.00 -3.05 1.14 -1.25 0.04 0.00 0.00 177.00 173.88 1l3g s PRO 112 N -4.72 2.17 0.00 0.56 0.04 -1.26 -5.04 135.00 126.75 1l3g s PRO 112 Ca 0.66 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1l3g s PRO 112 Cb -0.21 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1l3g s PRO 112 CO 0.60 -1.76 0.00 -0.35 0.04 0.00 0.00 177.00 175.54 1l3g n PRO 113 N -3.06 0.00 -0.87 0.56 -0.04 -1.26 -4.83 135.00 125.50 1l3g n PRO 113 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 1l3g n PRO 113 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l3g n ALA 114 N -3.00 -3.98 -1.70 0.55 0.00 -1.26 -4.70 120.51 106.42 1l3g n ALA 114 Ca 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 53.44 52.67 1l3g n ALA 114 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 1.64 2.39 -2.40 0.00 -0.02 -1.26 -4.97 135.00 130.38 1l3g n PRO 115 Ca 0.02 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 62.05 1l3g n PRO 115 Cb 0.41 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.26 1l3g n PRO 115 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1l3g s LYS 116 N 0.26 3.73 0.61 -0.52 -2.85 -1.26 -5.04 119.74 114.67 1l3g s LYS 116 Ca 0.71 0.64 -0.17 0.00 -1.00 0.00 0.00 55.97 56.16 1l3g s LYS 116 Cb -0.59 -2.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.93 1l3g s LYS 116 CO 0.42 -0.29 1.10 -3.38 0.10 0.00 0.00 175.35 173.31 1l3g s HIS 117 N -2.75 2.71 -0.17 1.78 0.00 -1.26 -4.88 115.29 110.72 1l3g s HIS 117 Ca 0.54 1.54 -0.38 0.00 -3.00 0.00 0.00 55.06 53.76 1l3g s HIS 117 Cb -0.10 -3.18 -0.15 0.00 -4.00 0.00 0.00 32.58 25.15 1l3g s HIS 117 CO 0.40 -1.53 1.70 0.72 -1.00 0.00 0.00 174.74 175.03 1l3g n HIS 118 N -1.94 2.02 -3.85 0.38 -0.00 -1.26 -4.94 115.22 105.63 1l3g n HIS 118 Ca 0.10 0.45 -0.28 0.00 -0.00 0.00 0.00 57.72 58.00 1l3g n HIS 118 Cb 0.52 -2.48 -0.03 0.00 -0.00 0.00 0.00 29.99 28.00 1l3g n HIS 118 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1l3g s HIS 119 N 3.04 3.49 0.20 4.41 -3.43 -1.26 -5.02 115.29 116.72 1l3g s HIS 119 Ca 0.94 0.24 -0.20 0.00 -0.80 0.00 0.00 55.06 55.24 1l3g s HIS 119 Cb -0.97 -1.76 -0.13 0.00 -1.43 0.00 0.00 32.58 28.28 1l3g s HIS 119 CO 0.59 0.48 0.30 0.00 -2.00 0.00 0.00 174.74 174.12 1l3g n ALA 120 N -0.37 -2.50 -3.79 -1.38 0.00 -1.26 -4.88 120.51 106.32 1l3g n ALA 120 Ca -0.06 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1l3g n ALA 120 Cb 0.53 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.77 5.15 0.10 0.00 0.01 -1.26 -5.07 113.70 111.86 1l3g s SER 121 Ca 0.48 -3.43 -0.31 0.00 1.31 0.00 0.00 55.95 54.01 1l3g s SER 121 Cb -0.65 -1.77 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 1l3g s SER 121 CO 0.45 -0.21 1.70 -1.59 0.41 0.00 0.00 173.24 174.01 1l3g s LYS 122 N -0.88 4.18 0.62 12.44 -2.85 -1.26 -4.94 119.74 127.04 1l3g s LYS 122 Ca 0.22 2.43 -0.19 0.00 -1.00 0.00 0.00 55.97 57.43 1l3g s LYS 122 Cb -0.13 -3.53 -0.02 0.00 -2.06 0.00 0.00 37.83 32.09 1l3g s LYS 122 CO -0.09 -0.76 1.27 0.54 0.10 0.00 0.00 175.35 176.41 1l3g s VAL 123 N 2.45 2.27 -1.85 1.79 0.11 -1.26 -5.31 120.40 118.60 1l3g s VAL 123 Ca 0.76 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1l3g s VAL 123 Cb -0.43 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1l3g s VAL 123 CO 0.33 -0.03 0.46 0.47 -3.33 0.00 0.00 175.10 173.00