#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 1.91 -4.82 -3.46 2.85 6.44 -3.38 115.26 114.80 1l3g n ASN 3 Ca 0.00 0.38 -0.29 0.00 -0.11 0.00 0.00 54.58 54.56 1l3g n ASN 3 Cb 0.00 -0.88 -0.02 0.00 1.24 0.00 0.00 39.78 40.12 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l3g n GLN 4 N -4.34 0.69 -5.02 1.20 3.00 -1.26 -3.72 117.38 107.93 1l3g n GLN 4 Ca -0.44 -3.60 -0.30 0.00 -0.01 0.00 0.00 57.00 52.66 1l3g n GLN 4 Cb 0.78 0.61 -0.17 0.00 0.00 0.00 0.00 30.24 31.46 1l3g n GLN 4 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1l3g s ILE 5 N -2.81 1.78 0.04 5.09 1.01 -1.26 -4.01 121.20 121.04 1l3g s ILE 5 Ca 0.20 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1l3g s ILE 5 Cb -0.02 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.91 1l3g s ILE 5 CO 0.13 0.50 0.23 -0.31 0.00 0.00 0.00 174.94 175.49 1l3g s TYR 6 N 0.44 -0.01 0.09 3.97 1.51 -0.61 -4.71 117.35 118.03 1l3g s TYR 6 Ca -0.18 -0.16 0.09 0.00 -1.01 0.00 0.00 57.07 55.82 1l3g s TYR 6 Cb -0.17 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1l3g s TYR 6 CO 0.07 -0.44 -0.23 -1.12 -1.11 0.00 0.00 175.55 172.72 1l3g s SER 7 N -2.00 3.50 0.01 2.29 0.01 -1.26 0.47 113.70 116.72 1l3g s SER 7 Ca -0.06 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1l3g s SER 7 Cb -0.02 -0.38 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 1l3g s SER 7 CO -0.03 0.21 -0.03 0.00 0.41 0.00 0.00 173.24 173.80 1l3g s ALA 8 N -0.99 0.21 -0.32 1.44 0.00 1.13 -4.52 121.76 118.71 1l3g s ALA 8 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1l3g s ALA 8 Cb -0.10 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1l3g s ALA 8 CO 0.06 -0.02 0.02 0.50 0.00 0.00 0.00 175.76 176.32 1l3g s ARG 9 N -0.61 2.14 0.18 0.00 3.00 -1.26 0.64 118.95 123.04 1l3g s ARG 9 Ca -0.05 -1.49 -0.06 0.00 -1.00 0.00 0.00 55.73 53.13 1l3g s ARG 9 Cb -0.04 -3.19 -0.02 0.00 0.00 0.00 0.00 34.95 31.70 1l3g s ARG 9 CO -0.00 -0.74 0.23 0.71 0.00 0.00 0.00 175.30 175.49 1l3g s TYR 10 N 1.14 0.67 -1.49 5.12 2.02 -0.05 -4.88 117.35 119.87 1l3g s TYR 10 Ca -0.01 -1.00 -0.04 0.00 -0.37 0.00 0.00 57.07 55.64 1l3g s TYR 10 Cb -0.20 -0.23 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 1l3g s TYR 10 CO -0.04 -0.70 0.44 -1.13 -1.57 0.00 0.00 175.55 172.55 1l3g n SER 11 N -0.22 -5.39 0.00 2.29 3.41 -1.26 -0.61 113.62 111.84 1l3g n SER 11 Ca -0.04 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1l3g n SER 11 Cb 0.64 -4.41 0.00 0.00 -0.26 0.00 0.00 64.21 60.18 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 -1.31 1.15 3.05 5.00 0.00 -1.26 -4.94 105.19 106.88 1l3g n GLY 12 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.48 0.81 0.60 1.61 1.01 0.23 -5.14 120.40 117.03 1l3g s VAL 13 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1l3g s VAL 13 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1l3g s VAL 13 CO 0.00 0.17 1.00 -0.62 0.00 0.00 0.00 175.10 175.64 1l3g s ASP 14 N -0.39 6.25 0.34 3.32 2.15 -1.26 -0.87 116.67 126.20 1l3g s ASP 14 Ca 0.03 1.36 -0.02 0.00 0.43 0.00 0.00 52.55 54.34 1l3g s ASP 14 Cb -0.05 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1l3g s ASP 14 CO -0.00 -0.82 0.47 0.68 -0.17 0.00 0.00 175.17 175.32 1l3g s VAL 15 N -3.10 0.00 0.13 1.11 -7.23 2.86 -3.84 120.40 110.32 1l3g s VAL 15 Ca 0.54 -1.61 0.07 0.00 -1.81 0.00 0.00 61.98 59.16 1l3g s VAL 15 Cb -0.11 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1l3g s VAL 15 CO 0.52 0.00 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.96 1l3g s TYR 16 N -3.07 2.84 -0.24 2.82 1.51 -1.03 0.36 117.35 120.54 1l3g s TYR 16 Ca 0.31 -0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1l3g s TYR 16 Cb -0.00 -1.44 0.08 0.00 -0.11 0.00 0.00 41.96 40.49 1l3g s TYR 16 CO 0.21 0.47 0.07 -1.83 -1.11 0.00 0.00 175.55 173.36 1l3g s GLU 17 N -2.50 0.60 0.06 -0.62 -1.05 1.68 -1.38 118.70 115.49 1l3g s GLU 17 Ca 0.25 -0.64 0.06 0.00 -0.15 0.00 0.00 54.97 54.48 1l3g s GLU 17 Cb -0.11 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.63 1l3g s GLU 17 CO 0.17 -0.81 -0.16 -0.06 0.95 0.00 0.00 175.26 175.35 1l3g s PHE 18 N 1.82 1.34 -0.07 4.83 0.08 0.43 -1.58 117.98 124.84 1l3g s PHE 18 Ca 0.04 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.40 1l3g s PHE 18 Cb -0.17 -0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 1l3g s PHE 18 CO -0.18 0.07 0.93 0.42 -0.10 0.00 0.00 175.22 176.37 1l3g s ILE 19 N -1.04 4.86 0.00 0.64 -1.09 -1.06 1.35 121.20 124.86 1l3g s ILE 19 Ca 0.01 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 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 0.10 0.00 1.57 -1.23 0.00 0.00 174.94 175.40 1l3g n HIS 20 N 4.46 0.00 -0.29 3.97 -0.00 6.32 0.98 115.22 130.66 1l3g n HIS 20 Ca 0.06 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.19 1l3g n HIS 20 Cb 0.50 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.44 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 1.03 -0.49 0.26 0.02 -1.88 -1.72 113.55 110.77 1l3g h SER 21 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1l3g h SER 21 Cb 0.00 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1l3g h SER 21 CO 0.00 0.87 0.00 1.07 -1.14 0.00 0.00 176.83 177.63 1l3g n THR 22 N -4.36 1.69 0.00 -2.27 5.66 -1.26 -4.96 114.28 108.78 1l3g n THR 22 Ca 0.07 -0.99 0.00 0.00 -3.05 0.00 0.00 64.05 60.09 1l3g n THR 22 Cb 0.13 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 0.81 1.36 3.74 1.09 0.00 -0.65 -4.89 105.19 106.65 1l3g n GLY 23 Ca 0.21 -0.90 -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 -0.56 0.00 0.00 0.00 173.32 172.76 1l3g s SER 24 N -4.00 7.41 -0.13 1.61 0.01 -1.13 0.97 113.70 118.44 1l3g s SER 24 Ca 0.00 1.99 0.02 0.00 1.31 0.00 0.00 55.95 59.26 1l3g s SER 24 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 1l3g s SER 24 CO 0.00 -0.09 -0.19 -0.63 0.41 0.00 0.00 173.24 172.74 1l3g s ILE 25 N -0.43 2.44 -0.10 1.44 1.09 12.55 -4.57 121.20 133.63 1l3g s ILE 25 Ca 0.47 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 59.19 1l3g s ILE 25 Cb -0.27 -2.00 0.01 0.00 -1.06 0.00 0.00 42.46 39.14 1l3g s ILE 25 CO 0.33 0.53 -0.20 -0.04 -0.10 0.00 0.00 174.94 175.47 1l3g s MET 26 N 0.64 2.67 0.27 2.79 -1.94 -0.48 0.16 119.30 123.41 1l3g s MET 26 Ca -0.10 -0.74 0.07 0.00 -1.71 0.00 0.00 55.69 53.21 1l3g s MET 26 Cb -0.16 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 1l3g s MET 26 CO 0.02 0.10 0.26 -1.59 -0.01 0.00 0.00 175.02 173.81 1l3g s LYS 27 N 0.53 3.00 -0.20 2.03 -2.85 -1.20 -3.72 119.74 117.32 1l3g s LYS 27 Ca -0.15 -1.04 -0.29 0.00 -1.00 0.00 0.00 55.97 53.48 1l3g s LYS 27 Cb -0.17 -2.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 1l3g s LYS 27 CO 0.05 0.33 1.06 1.03 0.10 0.00 0.00 175.35 177.92 1l3g s ARG 28 N -3.92 4.28 0.18 1.78 0.52 0.90 -2.46 118.95 120.23 1l3g s ARG 28 Ca 0.35 1.40 -0.13 0.00 -0.52 0.00 0.00 55.73 56.83 1l3g s ARG 28 Cb -0.08 -3.64 0.09 0.00 0.52 0.00 0.00 34.95 31.84 1l3g s ARG 28 CO 0.26 -0.59 1.81 -0.22 0.02 0.00 0.00 175.30 176.59 1l3g h LYS 29 N 7.47 0.81 -0.61 3.54 3.11 -1.88 4.53 116.57 133.54 1l3g h LYS 29 Ca -0.22 -0.08 0.07 0.00 -2.81 0.00 0.00 60.65 57.62 1l3g h LYS 29 Cb 1.08 -0.17 -0.10 0.00 -1.00 0.00 0.00 32.23 32.04 1l3g h LYS 29 CO 0.96 0.59 -0.53 0.87 -2.81 0.00 0.00 179.45 178.53 1l3g h LYS 30 N 0.81 -0.24 -0.17 1.90 1.57 -1.91 -2.73 116.57 115.80 1l3g h LYS 30 Ca 0.21 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1l3g h LYS 30 Cb -0.01 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1l3g h LYS 30 CO -0.04 -0.16 0.00 -3.47 -0.57 0.00 0.00 179.45 175.21 1l3g n ASP 31 N -5.36 2.76 -3.55 0.86 -0.08 -1.16 -4.98 116.55 105.04 1l3g n ASP 31 Ca -0.01 -2.40 -0.20 0.00 -1.51 0.00 0.00 54.79 50.67 1l3g n ASP 31 Cb 0.33 -0.26 0.07 0.00 2.34 0.00 0.00 41.12 43.60 1l3g n ASP 31 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1l3g n ASP 32 N -0.34 -3.16 -4.80 1.67 8.00 1.46 -3.93 116.55 115.45 1l3g n ASP 32 Ca 0.11 -0.65 -0.32 0.00 0.71 0.00 0.00 54.79 54.65 1l3g n ASP 32 Cb 0.51 -4.84 0.04 0.00 -0.02 0.00 0.00 41.12 36.82 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1l3g s TRP 33 N -3.40 2.98 0.04 1.24 0.52 0.19 0.68 118.94 121.19 1l3g s TRP 33 Ca 0.19 1.47 0.05 0.00 0.02 0.00 0.00 56.10 57.84 1l3g s TRP 33 Cb -0.09 -2.96 -0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1l3g s TRP 33 CO 0.75 -1.30 -0.14 0.08 0.02 0.00 0.00 176.95 176.37 1l3g s VAL 34 N -2.81 1.10 -0.54 4.03 1.01 9.34 -0.07 120.40 132.47 1l3g s VAL 34 Ca 0.61 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 1l3g s VAL 34 Cb -0.15 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1l3g s VAL 34 CO 0.49 0.00 2.33 0.21 0.00 0.00 0.00 175.10 178.13 1l3g s ASN 35 N -1.13 4.51 0.52 3.32 3.04 -1.24 0.67 114.94 124.63 1l3g s ASN 35 Ca 0.01 0.87 0.25 0.00 0.04 0.00 0.00 52.86 54.03 1l3g s ASN 35 Cb -0.08 -2.51 0.84 0.00 -1.54 0.00 0.00 41.25 37.97 1l3g s ASN 35 CO 0.01 -2.89 1.14 0.00 -3.04 0.00 0.00 177.10 172.32 1l3g n ALA 36 N 15.69 0.93 -0.09 1.71 0.00 0.80 0.13 120.51 139.67 1l3g n ALA 36 Ca 0.35 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 54.02 1l3g n ALA 36 Cb 0.54 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 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 1.10 0.00 0.00 2.02 -1.80 5.81 112.91 120.03 1l3g h THR 37 Ca 0.46 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 1l3g h THR 37 Cb 2.61 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1l3g h THR 37 CO -0.00 0.10 -0.22 -0.74 0.37 0.00 0.00 175.52 175.02 1l3g h HIS 38 N 0.39 0.00 0.00 3.16 -0.00 0.73 7.30 115.15 126.73 1l3g h HIS 38 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.28 1l3g h HIS 38 Cb -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 1l3g h HIS 38 CO -0.05 0.22 -1.16 -0.89 -0.00 0.00 0.00 177.93 176.06 1l3g n ILE 39 N -4.06 1.51 -0.10 6.26 -0.00 -0.51 -3.40 119.36 119.05 1l3g n ILE 39 Ca -0.02 0.01 -0.21 0.00 -0.00 0.00 0.00 62.75 62.53 1l3g n ILE 39 Cb 0.29 -2.10 -0.11 0.00 -0.00 0.00 0.00 39.64 37.72 1l3g n ILE 39 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1l3g n LEU 40 N -4.46 1.86 0.23 1.39 7.94 1.88 -3.93 117.00 121.91 1l3g n LEU 40 Ca -0.28 0.43 0.08 0.00 -1.11 0.00 0.00 56.01 55.13 1l3g n LEU 40 Cb 0.61 -0.95 0.54 0.00 0.53 0.00 0.00 43.42 44.15 1l3g n LEU 40 CO 0.17 0.25 0.85 0.11 -1.11 0.00 0.00 177.39 177.66 1l3g h LYS 41 N -1.00 0.00 0.00 1.96 6.56 0.24 0.63 116.57 124.96 1l3g h LYS 41 Ca -0.35 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.21 1l3g h LYS 41 Cb 1.28 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1l3g h LYS 41 CO -0.21 0.23 -0.12 0.00 -2.06 0.00 0.00 179.45 177.29 1l3g h ALA 42 N 1.77 1.16 0.00 3.86 0.00 1.46 0.12 119.26 127.63 1l3g h ALA 42 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1l3g h ALA 42 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1l3g h ALA 42 CO 0.03 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1l3g n ALA 43 N -2.23 1.76 -1.80 0.00 0.00 -0.68 -4.74 120.51 112.81 1l3g n ALA 43 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1l3g n ALA 43 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.29 0.00 -0.92 0.00 0.23 0.21 -5.06 115.26 109.43 1l3g n ASN 44 Ca 0.00 -1.33 0.01 0.00 -0.53 0.00 0.00 54.58 52.73 1l3g n ASN 44 Cb 0.26 -0.07 -0.01 0.00 -2.08 0.00 0.00 39.78 37.89 1l3g n ASN 44 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1l3g n PHE 45 N 0.00 -0.78 -2.99 -2.53 3.72 0.41 -4.43 117.46 110.85 1l3g n PHE 45 Ca 0.00 0.43 -0.44 0.00 -0.05 0.00 0.00 57.45 57.38 1l3g n PHE 45 Cb 0.57 -0.68 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 -4.54 3.44 0.00 4.37 0.00 -1.26 -4.26 121.76 119.50 1l3g s ALA 46 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1l3g s ALA 46 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1l3g s ALA 46 CO 0.00 -2.80 0.00 1.17 0.00 0.00 0.00 175.76 174.13 1l3g n LYS 47 N 6.31 1.03 0.07 0.00 3.00 -1.26 -4.87 118.16 122.44 1l3g n LYS 47 Ca 0.16 0.00 0.21 0.00 -0.00 0.00 0.00 58.31 58.68 1l3g n LYS 47 Cb 0.48 0.00 0.72 0.00 0.00 0.00 0.00 35.03 36.22 1l3g n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1l3g h ALA 48 N 1.00 2.18 0.09 3.14 0.00 -1.97 0.32 119.26 124.02 1l3g h ALA 48 Ca 0.00 -0.02 -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 17.83 1l3g h ALA 48 CO 0.00 -0.76 -0.04 0.87 0.00 0.00 0.00 179.25 179.32 1l3g h LYS 49 N 0.00 -0.11 0.00 0.00 1.79 -1.92 -2.78 116.57 113.55 1l3g h LYS 49 Ca 0.22 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1l3g h LYS 49 Cb 1.26 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1l3g h LYS 49 CO -0.00 0.28 -0.05 0.00 -1.08 0.00 0.00 179.45 178.59 1l3g h ARG 50 N -0.53 0.00 -0.29 3.15 -0.00 -0.60 0.24 114.38 116.35 1l3g h ARG 50 Ca -0.01 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.37 1l3g h ARG 50 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.40 1l3g h ARG 50 CO 0.02 0.05 -0.23 1.15 0.00 0.00 0.00 179.97 180.96 1l3g h THR 51 N 0.00 1.26 0.00 2.04 2.02 -0.97 -0.93 112.91 116.34 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 0.12 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1l3g h THR 51 CO 0.01 0.41 -0.26 -1.14 0.37 0.00 0.00 175.52 174.91 1l3g n ARG 52 N -4.13 0.19 -0.26 6.66 3.00 -0.48 -2.60 116.66 119.05 1l3g n ARG 52 Ca -0.00 0.30 0.05 0.00 -0.00 0.00 0.00 57.85 58.20 1l3g n ARG 52 Cb 0.40 -1.08 0.16 0.00 0.00 0.00 0.00 32.46 31.95 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1l3g h ILE 53 N -0.41 0.35 0.51 5.15 1.08 -0.74 1.73 117.51 125.18 1l3g h ILE 53 Ca 0.00 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1l3g h ILE 53 Cb 0.26 0.22 0.01 0.00 -3.07 0.00 0.00 36.82 34.24 1l3g h ILE 53 CO 0.00 0.02 -0.25 0.25 -0.69 0.00 0.00 178.15 177.48 1l3g h LEU 54 N 0.11 -0.58 -0.53 1.44 5.85 -1.29 1.36 115.31 121.67 1l3g h LEU 54 Ca 0.42 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.18 1l3g h LEU 54 Cb 0.74 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 1l3g h LEU 54 CO -0.66 -0.19 0.12 -0.33 -0.34 0.00 0.00 178.44 177.04 1l3g h GLU 55 N -1.08 0.25 0.08 1.25 5.08 -1.08 1.52 114.58 120.59 1l3g h GLU 55 Ca -0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1l3g h GLU 55 Cb 0.59 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1l3g h GLU 55 CO 0.12 0.16 -0.04 1.57 -1.00 0.00 0.00 179.01 179.82 1l3g h LYS 56 N 0.26 -0.10 -0.40 2.33 2.10 0.25 2.65 116.57 123.66 1l3g h LYS 56 Ca 0.27 0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.98 1l3g h LYS 56 Cb 0.37 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.68 1l3g h LYS 56 CO -0.34 0.46 0.14 1.49 -2.00 0.00 0.00 179.45 179.19 1l3g h GLU 57 N -0.82 0.28 0.02 0.07 4.57 0.21 -2.65 114.58 116.26 1l3g h GLU 57 Ca -0.01 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.97 1l3g h GLU 57 Cb 0.60 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1l3g h GLU 57 CO 0.02 0.19 -0.96 -0.24 -1.18 0.00 0.00 179.01 176.83 1l3g h VAL 58 N 0.29 1.17 -0.83 0.32 3.04 0.21 -3.31 116.25 117.14 1l3g h VAL 58 Ca 0.19 -2.27 0.23 0.00 -1.01 0.00 0.00 66.70 63.84 1l3g h VAL 58 Cb 0.18 2.64 -0.15 0.00 -2.01 0.00 0.00 31.29 31.94 1l3g h VAL 58 CO -0.20 0.48 0.03 -0.11 -1.01 0.00 0.00 177.57 176.76 1l3g n LEU 59 N -4.36 -0.09 0.00 3.16 -0.00 0.89 0.72 117.00 117.32 1l3g n LEU 59 Ca -0.25 1.41 0.09 0.00 -0.00 0.00 0.00 56.01 57.26 1l3g n LEU 59 Cb 0.68 -0.52 0.42 0.00 -0.00 0.00 0.00 43.42 44.00 1l3g n LEU 59 CO 0.28 -1.43 0.80 0.29 -0.00 0.00 0.00 177.39 177.33 1l3g n LYS 60 N -5.18 0.03 -0.77 1.96 5.02 -1.00 -4.76 118.16 113.46 1l3g n LYS 60 Ca 0.20 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1l3g n LYS 60 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1l3g n GLU 61 N -1.48 2.61 -1.08 1.97 -0.58 3.51 -5.00 120.64 120.59 1l3g n GLU 61 Ca 0.05 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.58 1l3g n GLU 61 Cb 0.22 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.11 1l3g n GLU 61 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1l3g n THR 62 N -0.20 3.01 -1.89 2.62 -1.04 -1.25 -4.94 114.28 110.58 1l3g n THR 62 Ca 0.00 -2.12 -0.42 0.00 -2.04 0.00 0.00 64.05 59.47 1l3g n THR 62 Cb 0.00 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 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 -2.09 3.00 -0.15 -1.42 -3.43 -1.25 -4.76 115.29 105.21 1l3g s HIS 63 Ca 0.41 0.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.30 1l3g s HIS 63 Cb 0.31 -3.97 -0.01 0.00 -1.43 0.00 0.00 32.58 27.48 1l3g s HIS 63 CO -0.05 -3.52 -0.14 -1.21 -2.00 0.00 0.00 174.74 167.81 1l3g s GLU 64 N 0.85 3.28 -0.47 -0.38 2.02 -1.01 -4.92 118.70 118.07 1l3g s GLU 64 Ca 0.69 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.73 1l3g s GLU 64 Cb -0.45 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.17 1l3g s GLU 64 CO 0.34 0.08 0.76 -1.59 0.02 0.00 0.00 175.26 174.87 1l3g s LYS 65 N 0.67 3.34 -0.33 1.61 0.00 -0.94 -2.04 119.74 122.05 1l3g s LYS 65 Ca -0.07 -0.25 -0.20 0.00 0.00 0.00 0.00 55.97 55.45 1l3g s LYS 65 Cb -0.16 -3.97 -0.00 0.00 0.00 0.00 0.00 37.83 33.70 1l3g s LYS 65 CO 0.02 -1.15 0.63 0.08 0.00 0.00 0.00 175.35 174.93 1l3g s VAL 66 N 3.22 4.91 0.17 1.79 1.01 0.79 -4.92 120.40 127.37 1l3g s VAL 66 Ca 0.27 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 1l3g s VAL 66 Cb -0.13 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1l3g s VAL 66 CO 0.21 -0.24 0.17 -1.10 0.00 0.00 0.00 175.10 174.14 1l3g s GLN 67 N 2.66 1.13 0.00 2.72 -1.52 -1.25 -3.81 119.66 119.59 1l3g s GLN 67 Ca 0.25 -1.43 0.00 0.00 -1.95 0.00 0.00 55.36 52.23 1l3g s GLN 67 Cb -0.15 0.30 0.00 0.00 -0.22 0.00 0.00 33.01 32.95 1l3g s GLN 67 CO 0.13 -0.37 0.00 0.41 -0.25 0.00 0.00 175.29 175.21 1l3g n GLY 68 N -0.21 0.73 0.00 3.09 0.00 -1.26 -3.84 105.19 103.70 1l3g n GLY 68 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.12 1.06 3.30 -0.02 0.00 -1.26 -5.02 105.19 101.12 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 -2.27 3.38 0.00 1.61 0.08 -1.25 -4.27 117.98 115.26 1l3g s PHE 70 Ca 0.00 -1.52 0.00 0.00 0.12 0.00 0.00 56.93 55.53 1l3g s PHE 70 Cb 0.00 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1l3g s PHE 70 CO 0.00 -1.01 0.00 0.41 -0.10 0.00 0.00 175.22 174.52 1l3g n GLY 71 N 4.91 0.43 0.00 4.36 0.00 -1.26 -3.88 105.19 109.75 1l3g n GLY 71 Ca -0.07 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.28 0.34 0.03 1.61 0.00 -1.25 -1.66 118.16 114.96 1l3g n LYS 72 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 58.31 58.33 1l3g n LYS 72 Cb 0.16 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.58 1l3g n LYS 72 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1l3g h TYR 73 N 0.00 0.00 0.03 5.64 0.05 -1.88 -3.37 116.97 117.43 1l3g h TYR 73 Ca 0.00 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.43 1l3g h TYR 73 Cb 0.13 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 1l3g h TYR 73 CO 0.00 0.94 -1.99 1.04 -1.05 0.00 0.00 178.16 177.10 1l3g n GLN 74 N -3.19 0.63 0.00 4.88 3.00 -0.82 -4.60 117.38 117.27 1l3g n GLN 74 Ca -0.07 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1l3g n GLN 74 Cb 0.96 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.57 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 1.64 1.51 2.99 1.08 0.00 -0.66 -4.17 105.19 107.58 1l3g n GLY 75 Ca -0.41 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 3.95 -1.58 2.61 -1.04 -1.05 0.28 114.28 117.45 1l3g n THR 76 Ca 0.00 -5.46 -0.30 0.00 -2.04 0.00 0.00 64.05 56.25 1l3g n THR 76 Cb 0.00 -2.26 0.07 0.00 -1.82 0.00 0.00 70.33 66.32 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 -2.05 2.97 0.09 -1.42 -2.14 -0.86 0.28 118.94 115.81 1l3g s TRP 77 Ca 0.32 1.25 -0.03 0.00 2.66 0.00 0.00 56.10 60.29 1l3g s TRP 77 Cb 0.00 -3.02 -0.03 0.00 -3.10 0.00 0.00 33.47 27.32 1l3g s TRP 77 CO -0.02 -1.52 0.06 0.14 -2.66 0.00 0.00 176.95 172.95 1l3g s VAL 78 N -3.12 0.16 -0.22 -0.66 -7.23 3.06 -2.41 120.40 109.98 1l3g s VAL 78 Ca 0.59 -1.68 -0.33 0.00 -1.81 0.00 0.00 61.98 58.75 1l3g s VAL 78 Cb -0.14 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 1l3g s VAL 78 CO 0.54 -0.74 2.07 -2.65 -0.31 0.00 0.00 175.10 174.01 1l3g n PRO 79 N -0.00 1.71 -0.25 4.82 -0.02 -1.26 1.17 135.00 141.17 1l3g n PRO 79 Ca -0.12 0.55 0.30 0.00 -2.02 0.00 0.00 63.50 62.21 1l3g n PRO 79 Cb 0.62 -2.71 0.70 0.00 -0.02 0.00 0.00 33.50 32.09 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 11.73 0.07 -2.57 2.45 7.12 2.19 1.17 115.31 137.47 1l3g h LEU 80 Ca -0.39 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.63 1l3g h LEU 80 Cb 1.28 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1l3g h LEU 80 CO 0.98 0.02 0.01 -0.55 -0.13 0.00 0.00 178.44 178.76 1l3g h ASN 81 N 0.06 0.00 0.00 1.25 -1.07 -1.82 -1.91 115.58 112.09 1l3g h ASN 81 Ca 0.50 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.81 1l3g h ASN 81 Cb 1.89 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 38.12 1l3g h ASN 81 CO -0.05 0.00 -1.25 2.30 0.07 0.00 0.00 177.43 178.51 1l3g n ILE 82 N -3.68 0.25 0.33 6.14 -6.64 0.26 -4.34 119.36 111.67 1l3g n ILE 82 Ca -0.03 -0.15 -0.16 0.00 -1.77 0.00 0.00 62.75 60.64 1l3g n ILE 82 Cb 0.09 -0.90 -0.08 0.00 -1.44 0.00 0.00 39.64 37.31 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1l3g h ALA 83 N 0.18 -0.86 -0.25 -1.28 0.00 0.11 -0.68 119.26 116.47 1l3g h ALA 83 Ca -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1l3g h ALA 83 Cb 1.22 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1l3g h ALA 83 CO 0.01 -0.88 0.06 1.57 0.00 0.00 0.00 179.25 180.01 1l3g h LYS 84 N -1.07 0.36 0.00 0.00 5.09 -1.56 -0.89 116.57 118.50 1l3g h LYS 84 Ca -0.09 -0.05 -0.05 0.00 0.09 0.00 0.00 60.65 60.56 1l3g h LYS 84 Cb 0.70 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.96 1l3g h LYS 84 CO 0.14 0.34 -0.22 0.37 -2.09 0.00 0.00 179.45 177.99 1l3g h GLN 85 N 0.36 0.00 0.06 0.07 4.15 -1.67 0.65 115.11 118.73 1l3g h GLN 85 Ca 0.09 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.35 1l3g h GLN 85 Cb 0.14 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1l3g h GLN 85 CO -0.00 0.22 -0.81 1.25 -1.93 0.00 0.00 178.83 177.55 1l3g h LEU 86 N 0.00 0.19 0.00 -2.39 5.85 0.16 -3.36 115.31 115.76 1l3g h LEU 86 Ca -0.00 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 57.87 1l3g h LEU 86 Cb 0.72 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1l3g h LEU 86 CO 0.03 1.35 -0.37 0.00 -0.34 0.00 0.00 178.44 179.11 1l3g h ALA 87 N -0.10 0.00 -0.62 1.25 0.00 -1.20 -3.35 119.26 115.24 1l3g h ALA 87 Ca -0.19 -0.37 0.18 0.00 0.00 0.00 0.00 54.91 54.54 1l3g h ALA 87 Cb 1.40 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1l3g h ALA 87 CO 0.00 0.36 0.88 -0.85 0.00 0.00 0.00 179.25 179.64 1l3g n GLU 88 N -4.66 0.01 0.00 0.00 0.28 0.22 -0.98 120.64 115.52 1l3g n GLU 88 Ca -0.05 0.75 0.00 0.00 -0.16 0.00 0.00 57.16 57.70 1l3g n GLU 88 Cb 0.19 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1l3g n GLU 88 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1l3g n LYS 89 N -2.59 0.00 0.00 3.44 5.02 -1.24 -3.99 118.16 118.80 1l3g n LYS 89 Ca 0.14 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.48 1l3g n LYS 89 Cb 1.07 -0.05 0.01 0.00 -0.02 0.00 0.00 35.03 36.04 1l3g n LYS 89 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1l3g n PHE 90 N 0.00 0.00 0.00 2.13 3.72 -1.09 -4.44 117.46 117.78 1l3g n PHE 90 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1l3g n PHE 90 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1l3g n PHE 90 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1l3g n SER 91 N 0.04 0.00 -0.03 4.37 7.64 -0.15 -4.71 113.62 120.78 1l3g n SER 91 Ca 0.05 0.09 0.03 0.00 1.01 0.00 0.00 58.87 60.06 1l3g n SER 91 Cb 0.25 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.49 1l3g n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1l3g n VAL 92 N -0.17 1.21 -0.24 0.44 0.31 -1.10 -4.67 118.33 114.11 1l3g n VAL 92 Ca 0.00 -1.33 -0.06 0.00 -0.01 0.00 0.00 64.34 62.93 1l3g n VAL 92 Cb 0.00 0.29 -0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1l3g n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l3g n TYR 93 N -0.76 -0.25 -0.14 3.52 0.18 -1.08 -0.08 117.16 118.54 1l3g n TYR 93 Ca 0.05 0.71 -0.11 0.00 1.88 0.00 0.00 57.90 60.43 1l3g n TYR 93 Cb 0.40 -0.52 -0.06 0.00 -0.38 0.00 0.00 39.34 38.78 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 -1.57 0.10 9.48 3.58 -1.87 -1.74 116.42 124.40 1l3g h ASP 94 Ca 0.09 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.79 1l3g h ASP 94 Cb 0.23 0.67 -0.05 0.00 1.72 0.00 0.00 39.33 41.91 1l3g h ASP 94 CO -0.53 -0.38 -0.46 1.56 -2.88 0.00 0.00 179.24 176.55 1l3g h GLN 95 N -0.34 -0.65 -1.64 0.28 7.50 -0.86 -0.10 115.11 119.30 1l3g h GLN 95 Ca 0.12 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.32 1l3g h GLN 95 Cb 0.59 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.27 1l3g h GLN 95 CO -0.60 -0.44 0.00 1.47 -1.50 0.00 0.00 178.83 177.77 1l3g n LEU 96 N -5.47 3.23 0.40 1.46 -0.00 0.51 -4.28 117.00 112.86 1l3g n LEU 96 Ca -0.07 -1.51 -0.17 0.00 -0.00 0.00 0.00 56.01 54.25 1l3g n LEU 96 Cb 0.39 -0.63 -0.08 0.00 -0.00 0.00 0.00 43.42 43.09 1l3g n LEU 96 CO 0.17 0.59 0.50 0.50 -0.00 0.00 0.00 177.39 179.15 1l3g h LYS 97 N 1.13 -1.00 0.01 1.47 3.64 -0.17 -1.51 116.57 120.15 1l3g h LYS 97 Ca 0.00 0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1l3g h LYS 97 Cb 0.76 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1l3g h LYS 97 CO 0.00 -0.65 -0.01 -1.00 -2.27 0.00 0.00 179.45 175.53 1l3g h PRO 98 N -1.18 -0.01 -0.94 1.90 0.13 -1.79 -0.86 132.00 129.24 1l3g h PRO 98 Ca -0.11 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.24 1l3g h PRO 98 Cb 0.81 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.87 1l3g h PRO 98 CO 0.17 0.44 0.62 1.37 -0.23 0.00 0.00 178.00 180.37 1l3g h LEU 99 N -0.47 0.42 0.00 1.56 8.10 -1.64 1.63 115.31 124.92 1l3g h LEU 99 Ca -0.00 0.05 -0.15 0.00 0.11 0.00 0.00 57.88 57.89 1l3g h LEU 99 Cb 0.46 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.63 1l3g h LEU 99 CO 0.00 0.15 -1.03 -0.26 -4.11 0.00 0.00 178.44 173.20 1l3g h PHE 100 N 0.41 0.00 0.03 0.17 0.04 -1.18 -3.37 116.94 113.04 1l3g h PHE 100 Ca 0.50 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 61.01 1l3g h PHE 100 Cb 1.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 1l3g h PHE 100 CO -0.00 0.58 -1.41 -0.44 -0.60 0.00 0.00 178.31 176.43 1l3g h ASP 101 N 0.00 0.09 0.00 2.17 5.19 0.77 -3.51 116.42 121.14 1l3g h ASP 101 Ca -0.09 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 1l3g h ASP 101 Cb 1.52 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.00 1l3g h ASP 101 CO 0.06 1.57 0.00 0.33 -3.12 0.00 0.00 179.24 178.08 1l3g n PHE 102 N -4.23 0.00 -2.50 4.55 7.35 0.53 -5.03 117.46 118.13 1l3g n PHE 102 Ca -0.32 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 55.94 1l3g n PHE 102 Cb 0.76 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.57 1l3g n PHE 102 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1l3g s THR 103 N 0.00 4.36 0.51 -2.13 -4.23 -1.26 -4.99 115.64 107.90 1l3g s THR 103 Ca 0.00 1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 62.08 1l3g s THR 103 Cb 0.00 -4.15 -0.02 0.00 1.34 0.00 0.00 72.50 69.67 1l3g s THR 103 CO 0.00 -0.26 0.80 -1.10 -0.54 0.00 0.00 174.62 173.52 1l3g s GLN 104 N 3.60 3.32 0.16 3.99 -0.21 -1.26 -4.99 119.66 124.27 1l3g s GLN 104 Ca 0.52 0.06 -0.26 0.00 0.02 0.00 0.00 55.36 55.70 1l3g s GLN 104 Cb -0.18 -2.37 -0.08 0.00 1.00 0.00 0.00 33.01 31.38 1l3g s GLN 104 CO 0.15 -0.34 0.80 -0.08 -2.12 0.00 0.00 175.29 173.69 1l3g s THR 105 N -2.78 4.37 -0.30 -0.19 -1.32 -1.26 -4.84 115.64 109.32 1l3g s THR 105 Ca 0.49 1.74 0.00 0.00 -1.21 0.00 0.00 61.69 62.71 1l3g s THR 105 Cb -0.10 -4.16 0.00 0.00 -1.51 0.00 0.00 72.50 66.73 1l3g s THR 105 CO 0.44 0.51 0.00 -0.90 -2.21 0.00 0.00 174.62 172.46 1l3g n ASP 106 N 1.70 0.00 0.00 8.08 5.75 -1.26 -4.15 116.55 126.67 1l3g n ASP 106 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1l3g n ASP 106 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1l3g n GLY 107 N 0.46 1.63 3.95 6.12 0.00 -1.26 -5.05 105.19 111.04 1l3g n GLY 107 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1l3g n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3g s SER 108 N -1.90 5.22 -0.24 1.61 0.15 -1.26 -4.99 113.70 112.28 1l3g s SER 108 Ca 0.00 0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.65 1l3g s SER 108 Cb 0.00 -1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1l3g s SER 108 CO 0.00 -1.25 1.60 0.00 1.20 0.00 0.00 173.24 174.80 1l3g s ALA 109 N -2.95 3.23 -0.25 5.45 0.00 -1.26 -4.77 121.76 121.22 1l3g s ALA 109 Ca 0.57 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1l3g s ALA 109 Cb -0.10 -3.86 0.04 0.00 0.00 0.00 0.00 23.12 19.19 1l3g s ALA 109 CO 0.42 -2.01 -0.09 0.45 0.00 0.00 0.00 175.76 174.52 1l3g s SER 110 N 4.28 4.23 -0.50 0.00 0.15 -1.26 -5.05 113.70 115.56 1l3g s SER 110 Ca 0.71 -1.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.02 1l3g s SER 110 Cb -0.24 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1l3g s SER 110 CO 0.29 -0.14 2.04 -2.16 1.20 0.00 0.00 173.24 174.47 1l3g s PRO 111 N 1.23 2.63 0.13 5.44 0.04 -1.26 -4.94 135.00 138.27 1l3g s PRO 111 Ca -0.03 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 1l3g s PRO 111 Cb -0.18 -4.41 -0.07 0.00 0.04 0.00 0.00 34.50 29.89 1l3g s PRO 111 CO -0.06 -2.70 0.90 -1.25 0.04 0.00 0.00 177.00 173.94 1l3g s PRO 112 N 7.12 4.69 -0.00 0.56 0.04 -1.26 -5.01 135.00 141.13 1l3g s PRO 112 Ca 0.81 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 1l3g s PRO 112 Cb -0.17 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.03 1l3g s PRO 112 CO 0.26 0.33 0.32 -1.00 0.04 0.00 0.00 177.00 176.94 1l3g h PRO 113 N 5.16 -0.01 -2.05 0.56 0.13 -1.91 -3.46 132.00 130.42 1l3g h PRO 113 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.42 1l3g h PRO 113 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1l3g h PRO 113 CO 0.70 -0.01 0.01 0.00 -0.23 0.00 0.00 178.00 178.47 1l3g n ALA 114 N -2.02 -1.58 -0.54 -0.56 0.00 -1.26 -4.54 120.51 110.00 1l3g n ALA 114 Ca -0.00 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1l3g n ALA 114 Cb 0.00 -0.60 0.24 0.00 0.00 0.00 0.00 19.45 19.10 1l3g n ALA 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1l3g s PRO 115 N -0.02 -0.60 0.23 0.00 0.04 -1.26 -4.88 135.00 128.51 1l3g s PRO 115 Ca 0.30 1.02 -0.32 0.00 0.04 0.00 0.00 61.00 62.04 1l3g s PRO 115 Cb -0.43 -1.58 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1l3g s PRO 115 CO 0.19 -3.56 1.62 1.17 0.04 0.00 0.00 177.00 176.46 1l3g n LYS 116 N -4.82 2.54 -2.23 4.56 4.81 -1.26 -4.91 118.16 116.85 1l3g n LYS 116 Ca 0.05 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 57.98 1l3g n LYS 116 Cb 0.54 -2.70 -0.03 0.00 0.02 0.00 0.00 35.03 32.85 1l3g n LYS 116 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1l3g s HIS 117 N 0.61 3.26 0.22 5.64 -3.43 -1.26 -4.93 115.29 115.40 1l3g s HIS 117 Ca 0.72 1.02 -0.31 0.00 -0.80 0.00 0.00 55.06 55.69 1l3g s HIS 117 Cb -0.55 -3.62 -0.15 0.00 -1.43 0.00 0.00 32.58 26.83 1l3g s HIS 117 CO 0.40 -2.14 1.11 -2.39 -2.00 0.00 0.00 174.74 169.72 1l3g n HIS 118 N 4.05 1.31 -3.42 0.38 1.44 -1.26 -4.91 115.22 112.82 1l3g n HIS 118 Ca 0.11 0.68 -0.44 0.00 -2.01 0.00 0.00 57.72 56.06 1l3g n HIS 118 Cb 0.43 -2.27 -0.06 0.00 0.12 0.00 0.00 29.99 28.21 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1l3g s HIS 119 N -0.52 3.43 0.20 -1.40 0.09 -1.26 -5.04 115.29 110.78 1l3g s HIS 119 Ca 0.67 -1.73 -0.30 0.00 -0.00 0.00 0.00 55.06 53.69 1l3g s HIS 119 Cb -0.78 -3.67 -0.16 0.00 -0.00 0.00 0.00 32.58 27.96 1l3g s HIS 119 CO 0.55 -0.99 0.87 0.00 -0.00 0.00 0.00 174.74 175.17 1l3g n ALA 120 N 4.72 -1.71 -2.67 -1.40 0.00 -1.26 -4.83 120.51 113.35 1l3g n ALA 120 Ca -0.04 0.45 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1l3g n ALA 120 Cb 0.42 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1l3g n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1l3g s SER 121 N -0.53 6.31 0.97 0.00 1.04 -1.26 -5.02 113.70 115.21 1l3g s SER 121 Ca 0.68 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 1l3g s SER 121 Cb -0.88 -2.46 0.18 0.00 0.10 0.00 0.00 66.02 62.96 1l3g s SER 121 CO 0.56 -1.35 1.12 -0.75 0.98 0.00 0.00 173.24 173.80 1l3g s LYS 122 N 4.25 0.58 -0.44 4.02 2.20 -1.26 -4.94 119.74 124.14 1l3g s LYS 122 Ca 0.31 1.40 -0.19 0.00 -0.36 0.00 0.00 55.97 57.13 1l3g s LYS 122 Cb -0.12 -1.69 0.03 0.00 -1.51 0.00 0.00 37.83 34.54 1l3g s LYS 122 CO 0.18 -2.89 0.54 0.08 -0.36 0.00 0.00 175.35 172.90 1l3g s VAL 123 N -2.60 4.97 -2.19 4.02 1.01 -1.26 -5.32 120.40 119.03 1l3g s VAL 123 Ca 0.67 -0.24 0.30 0.00 0.00 0.00 0.00 61.98 62.72 1l3g s VAL 123 Cb -0.23 -4.14 0.77 0.00 0.00 0.00 0.00 36.38 32.78 1l3g s VAL 123 CO 0.59 -0.55 2.05 0.47 0.00 0.00 0.00 175.10 177.66