#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 2.86 -3.07 -3.46 6.94 -1.26 -4.69 115.26 112.58 1l3g n ASN 3 Ca 0.00 -2.09 -0.16 0.00 -0.02 0.00 0.00 54.58 52.30 1l3g n ASN 3 Cb 0.00 -0.37 0.14 0.00 -2.36 0.00 0.00 39.78 37.18 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1l3g n GLN 4 N 0.86 -2.15 -3.41 -3.83 10.64 -1.26 -4.60 117.38 113.63 1l3g n GLN 4 Ca 0.17 -0.95 -0.45 0.00 -1.83 0.00 0.00 57.00 53.94 1l3g n GLN 4 Cb 0.48 -0.88 -0.03 0.00 -0.86 0.00 0.00 30.24 28.95 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 -2.08 5.27 0.68 -0.39 -1.16 -1.26 -3.82 121.20 118.43 1l3g s ILE 5 Ca 0.38 -2.67 -0.15 0.00 -0.51 0.00 0.00 60.65 57.70 1l3g s ILE 5 Cb -0.04 -4.27 0.01 0.00 0.61 0.00 0.00 42.46 38.77 1l3g s ILE 5 CO 0.29 -1.02 1.15 -0.47 -2.81 0.00 0.00 174.94 172.09 1l3g s TYR 6 N -0.03 2.40 0.08 3.50 5.04 0.85 -4.66 117.35 124.53 1l3g s TYR 6 Ca 0.19 1.57 0.07 0.00 -2.44 0.00 0.00 57.07 56.46 1l3g s TYR 6 Cb -0.12 -3.30 -0.04 0.00 0.35 0.00 0.00 41.96 38.86 1l3g s TYR 6 CO -0.08 -2.04 -0.14 -1.12 -1.34 0.00 0.00 175.55 170.83 1l3g s SER 7 N -2.30 4.12 0.11 4.32 0.01 -1.26 0.59 113.70 119.30 1l3g s SER 7 Ca 0.70 -0.43 -0.12 0.00 1.31 0.00 0.00 55.95 57.41 1l3g s SER 7 Cb -0.24 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.29 1l3g s SER 7 CO 0.42 0.20 0.30 0.00 0.41 0.00 0.00 173.24 174.57 1l3g s ALA 8 N -1.11 -0.58 -0.07 1.44 0.00 0.59 -4.65 121.76 117.38 1l3g s ALA 8 Ca 0.18 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1l3g s ALA 8 Cb -0.11 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.65 1l3g s ALA 8 CO 0.10 -0.58 0.14 0.50 0.00 0.00 0.00 175.76 175.92 1l3g s ARG 9 N -3.83 0.06 0.14 0.00 3.00 -1.26 0.88 118.95 117.94 1l3g s ARG 9 Ca 0.04 0.42 -0.06 0.00 -1.00 0.00 0.00 55.73 55.13 1l3g s ARG 9 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 34.95 34.74 1l3g s ARG 9 CO -0.11 -0.21 0.19 0.71 0.00 0.00 0.00 175.30 175.87 1l3g s TYR 10 N 1.51 0.54 -1.42 5.12 2.02 0.17 -4.80 117.35 120.50 1l3g s TYR 10 Ca -0.05 -0.92 -0.10 0.00 -0.37 0.00 0.00 57.07 55.63 1l3g s TYR 10 Cb -0.12 -0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.27 1l3g s TYR 10 CO -0.06 -0.63 1.06 0.45 -1.57 0.00 0.00 175.55 174.81 1l3g n SER 11 N -0.15 -5.14 0.00 2.29 2.88 -1.26 -0.83 113.62 111.41 1l3g n SER 11 Ca -0.07 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 1l3g n SER 11 Cb 0.63 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 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 -1.80 1.54 3.16 0.46 0.00 -1.26 -4.93 105.19 102.36 1l3g n GLY 12 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.18 1.86 0.68 1.61 1.01 -0.01 -4.98 120.40 118.39 1l3g s VAL 13 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1l3g s VAL 13 Cb 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1l3g s VAL 13 CO 0.00 0.51 1.07 -0.62 0.00 0.00 0.00 175.10 176.07 1l3g s ASP 14 N 0.56 5.56 0.36 3.32 2.15 -1.26 0.43 116.67 127.78 1l3g s ASP 14 Ca -0.15 1.13 -0.05 0.00 0.43 0.00 0.00 52.55 53.92 1l3g s ASP 14 Cb -0.17 -1.97 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1l3g s ASP 14 CO 0.05 -1.26 0.55 -0.69 -0.17 0.00 0.00 175.17 173.65 1l3g s VAL 15 N -3.30 0.00 -0.06 1.11 1.01 5.16 0.17 120.40 124.49 1l3g s VAL 15 Ca 0.57 -1.48 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1l3g s VAL 15 Cb -0.11 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1l3g s VAL 15 CO 0.51 0.00 -0.22 -0.31 0.00 0.00 0.00 175.10 175.08 1l3g s TYR 16 N -2.83 2.51 -0.19 5.22 2.02 -1.22 0.22 117.35 123.08 1l3g s TYR 16 Ca 0.28 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1l3g s TYR 16 Cb -0.01 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1l3g s TYR 16 CO 0.19 -0.13 -0.18 -1.21 -1.57 0.00 0.00 175.55 172.65 1l3g s GLU 17 N -0.26 2.89 0.02 -0.62 0.41 2.46 -1.44 118.70 122.17 1l3g s GLU 17 Ca -0.00 -0.90 0.05 0.00 -0.41 0.00 0.00 54.97 53.71 1l3g s GLU 17 Cb -0.13 -2.63 -0.02 0.00 -1.78 0.00 0.00 34.13 29.57 1l3g s GLU 17 CO 0.03 -0.26 -0.15 0.12 -0.49 0.00 0.00 175.26 174.50 1l3g s PHE 18 N 1.27 1.34 0.04 1.61 5.36 -0.37 0.29 117.98 127.52 1l3g s PHE 18 Ca 0.03 -0.30 -0.30 0.00 -0.96 0.00 0.00 56.93 55.39 1l3g s PHE 18 Cb -0.14 -0.82 -0.04 0.00 -0.34 0.00 0.00 43.02 41.67 1l3g s PHE 18 CO -0.12 0.02 1.03 0.42 -1.46 0.00 0.00 175.22 175.11 1l3g s ILE 19 N -0.60 4.57 0.00 3.12 -1.09 -1.05 0.27 121.20 126.42 1l3g s ILE 19 Ca 0.04 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1l3g s ILE 19 Cb -0.07 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1l3g s ILE 19 CO 0.00 0.19 0.00 1.57 -1.23 0.00 0.00 174.94 175.47 1l3g n HIS 20 N 3.59 0.00 -0.17 3.97 -0.00 4.03 -4.84 115.22 121.80 1l3g n HIS 20 Ca 0.06 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.20 1l3g n HIS 20 Cb 0.49 0.00 0.15 0.00 -0.12 0.00 0.00 29.99 30.52 1l3g n HIS 20 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1l3g h SER 21 N 0.00 0.87 -0.55 0.26 4.64 -1.89 -1.66 113.55 115.22 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 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1l3g h SER 21 CO 0.00 0.83 0.00 1.07 -0.87 0.00 0.00 176.83 177.86 1l3g n THR 22 N -4.27 1.20 0.00 2.95 5.66 -1.26 -4.99 114.28 113.56 1l3g n THR 22 Ca 0.05 -0.88 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1l3g n THR 22 Cb 0.23 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 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 1.17 1.33 3.87 1.09 0.00 -0.63 -4.89 105.19 107.13 1l3g n GLY 23 Ca 0.20 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 6.68 -0.15 1.61 0.01 -1.18 0.77 113.70 117.44 1l3g s SER 24 Ca 0.00 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.16 1l3g s SER 24 Cb 0.00 -2.22 -0.00 0.00 0.21 0.00 0.00 66.02 64.01 1l3g s SER 24 CO 0.00 0.06 -0.16 -0.63 0.41 0.00 0.00 173.24 172.92 1l3g s ILE 25 N -1.58 2.57 -0.18 1.44 1.01 0.76 -4.63 121.20 120.59 1l3g s ILE 25 Ca 0.40 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1l3g s ILE 25 Cb -0.13 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 1l3g s ILE 25 CO 0.20 0.52 -0.05 -0.32 0.00 0.00 0.00 174.94 175.29 1l3g s MET 26 N 0.79 3.52 0.11 2.79 -2.45 -0.66 -1.23 119.30 122.17 1l3g s MET 26 Ca -0.06 -0.58 -0.07 0.00 -1.25 0.00 0.00 55.69 53.73 1l3g s MET 26 Cb -0.15 -2.91 -0.06 0.00 1.25 0.00 0.00 34.83 32.96 1l3g s MET 26 CO 0.00 0.08 0.38 0.15 1.05 0.00 0.00 175.02 176.68 1l3g s LYS 27 N 0.77 3.67 -0.39 4.11 3.01 -0.52 -4.39 119.74 126.00 1l3g s LYS 27 Ca -0.02 0.02 -0.28 0.00 -1.01 0.00 0.00 55.97 54.67 1l3g s LYS 27 Cb -0.15 -2.92 0.02 0.00 -1.01 0.00 0.00 37.83 33.78 1l3g s LYS 27 CO 0.02 0.51 1.08 0.50 0.51 0.00 0.00 175.35 177.97 1l3g s ARG 28 N -2.30 3.88 0.53 1.68 6.06 -0.93 -3.41 118.95 124.45 1l3g s ARG 28 Ca 0.37 0.77 0.18 0.00 -2.50 0.00 0.00 55.73 54.56 1l3g s ARG 28 Cb -0.13 -3.82 1.33 0.00 0.06 0.00 0.00 34.95 32.39 1l3g s ARG 28 CO 0.21 -1.11 2.14 0.87 -2.50 0.00 0.00 175.30 174.91 1l3g h LYS 29 N 8.63 0.00 -0.27 5.12 1.57 0.15 0.59 116.57 132.36 1l3g h LYS 29 Ca -0.22 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1l3g h LYS 29 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1l3g h LYS 29 CO 1.06 0.00 -0.22 0.87 -0.57 0.00 0.00 179.45 180.59 1l3g h LYS 30 N 0.00 -0.08 0.00 3.15 1.79 -1.90 -3.37 116.57 116.15 1l3g h LYS 30 Ca 0.03 0.01 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 1l3g h LYS 30 Cb 0.13 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 1l3g h LYS 30 CO -0.00 -0.05 -1.60 -3.47 -1.08 0.00 0.00 179.45 173.24 1l3g n ASP 31 N -3.80 1.00 0.00 0.86 2.03 -1.17 -5.06 116.55 110.41 1l3g n ASP 31 Ca -0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1l3g n ASP 31 Cb 0.12 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1l3g n ASP 31 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1l3g n ASP 32 N -3.64 0.00 -4.96 1.67 2.03 0.19 -4.95 116.55 106.89 1l3g n ASP 32 Ca -0.24 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.85 1l3g n ASP 32 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 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 -0.23 3.47 0.19 -0.67 0.52 -1.18 0.22 118.94 121.26 1l3g s TRP 33 Ca 0.00 0.17 0.10 0.00 0.02 0.00 0.00 56.10 56.39 1l3g s TRP 33 Cb 0.00 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1l3g s TRP 33 CO 0.00 0.27 -0.20 0.54 0.02 0.00 0.00 176.95 177.58 1l3g s VAL 34 N -2.16 2.08 -0.55 4.03 0.11 1.84 -2.19 120.40 123.56 1l3g s VAL 34 Ca 0.37 -2.05 -0.26 0.00 -2.93 0.00 0.00 61.98 57.11 1l3g s VAL 34 Cb -0.09 -2.02 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1l3g s VAL 34 CO 0.33 -0.28 2.20 0.20 -3.33 0.00 0.00 175.10 174.22 1l3g s ASN 35 N -2.84 4.72 0.62 3.54 0.01 -1.26 0.41 114.94 120.14 1l3g s ASN 35 Ca 0.20 0.74 0.22 0.00 -0.71 0.00 0.00 52.86 53.31 1l3g s ASN 35 Cb -0.06 -2.51 0.95 0.00 0.41 0.00 0.00 41.25 40.03 1l3g s ASN 35 CO 0.09 -2.74 1.46 0.00 -1.51 0.00 0.00 177.10 174.40 1l3g h ALA 36 N 17.57 2.34 -0.38 0.60 0.00 0.17 0.43 119.26 140.00 1l3g h ALA 36 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1l3g h ALA 36 Cb 1.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1l3g h ALA 36 CO 1.18 -1.15 0.22 1.15 0.00 0.00 0.00 179.25 180.65 1l3g h THR 37 N 0.00 1.13 0.00 0.00 2.02 -1.80 4.82 112.91 119.08 1l3g h THR 37 Ca 0.25 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1l3g h THR 37 Cb 2.00 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1l3g h THR 37 CO -0.00 0.13 -0.13 0.45 0.37 0.00 0.00 175.52 176.34 1l3g h HIS 38 N 0.50 0.00 0.00 3.16 -0.00 -0.46 4.02 115.15 122.38 1l3g h HIS 38 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.26 1l3g h HIS 38 Cb 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 1l3g h HIS 38 CO -0.03 0.13 -1.33 -0.89 -0.00 0.00 0.00 177.93 175.81 1l3g n ILE 39 N -4.14 1.54 -0.11 2.45 -0.00 -0.38 -3.30 119.36 115.43 1l3g n ILE 39 Ca -0.02 -0.05 -0.22 0.00 -0.00 0.00 0.00 62.75 62.45 1l3g n ILE 39 Cb 0.21 -2.03 -0.11 0.00 -0.00 0.00 0.00 39.64 37.71 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 -4.40 1.87 0.25 1.39 -0.00 1.57 -3.90 117.00 113.77 1l3g n LEU 40 Ca -0.33 0.42 0.11 0.00 -0.00 0.00 0.00 56.01 56.21 1l3g n LEU 40 Cb 0.70 -0.95 0.63 0.00 -0.00 0.00 0.00 43.42 43.80 1l3g n LEU 40 CO 0.19 0.28 0.91 0.50 -0.00 0.00 0.00 177.39 179.28 1l3g h LYS 41 N -1.00 0.00 0.00 1.96 3.64 0.49 0.35 116.57 122.01 1l3g h LYS 41 Ca -0.37 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1l3g h LYS 41 Cb 1.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1l3g h LYS 41 CO -0.23 0.17 -0.19 0.00 -2.27 0.00 0.00 179.45 176.94 1l3g h ALA 42 N 1.83 1.11 0.00 5.00 0.00 0.64 0.12 119.26 127.96 1l3g h ALA 42 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1l3g h ALA 42 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1l3g h ALA 42 CO 0.02 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1l3g n ALA 43 N -2.24 1.90 -1.94 0.00 0.00 -0.69 -4.73 120.51 112.81 1l3g n ALA 43 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1l3g n ALA 43 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.38 0.00 -0.94 0.00 2.04 0.12 -5.07 115.26 111.03 1l3g n ASN 44 Ca 0.00 -1.27 0.01 0.00 -0.44 0.00 0.00 54.58 52.89 1l3g n ASN 44 Cb 0.26 -0.05 -0.01 0.00 -2.53 0.00 0.00 39.78 37.44 1l3g n ASN 44 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 1l3g n PHE 45 N 0.00 -0.83 -3.02 -2.53 -0.00 0.41 -4.44 117.46 107.05 1l3g n PHE 45 Ca 0.00 0.45 -0.45 0.00 -0.00 0.00 0.00 57.45 57.46 1l3g n PHE 45 Cb 0.55 -0.71 -0.03 0.00 -0.00 0.00 0.00 39.48 39.29 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 -4.53 3.49 0.00 3.13 0.00 -1.26 -4.30 121.76 118.29 1l3g s ALA 46 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1l3g s ALA 46 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1l3g s ALA 46 CO 0.00 -2.74 0.00 0.36 0.00 0.00 0.00 175.76 173.38 1l3g n LYS 47 N 6.12 1.14 0.07 0.00 2.85 -1.26 -4.87 118.16 122.21 1l3g n LYS 47 Ca 0.15 0.00 0.21 0.00 -1.05 0.00 0.00 58.31 57.62 1l3g n LYS 47 Cb 0.47 0.00 0.72 0.00 -0.65 0.00 0.00 35.03 35.57 1l3g n LYS 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1l3g h ALA 48 N 1.00 2.16 0.09 0.58 0.00 -1.97 0.33 119.26 121.45 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 17.82 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 -0.12 0.00 0.00 1.57 -1.92 -2.80 116.57 113.29 1l3g h LYS 49 Ca 0.22 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1l3g h LYS 49 Cb 1.26 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1l3g h LYS 49 CO -0.00 0.27 -0.05 0.00 -0.57 0.00 0.00 179.45 179.10 1l3g h ARG 50 N -0.54 0.00 -0.32 3.15 -0.00 -0.60 0.07 114.38 116.14 1l3g h ARG 50 Ca -0.01 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.36 1l3g h ARG 50 Cb 0.45 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 0.00 0.00 0.00 0.00 179.97 179.81 1l3g h THR 51 N 0.00 1.27 0.00 2.04 1.03 -0.97 -0.61 112.91 115.67 1l3g h THR 51 Ca -0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.11 1l3g h THR 51 Cb 0.11 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1l3g h THR 51 CO 0.01 0.42 -0.01 -0.09 -0.01 0.00 0.00 175.52 175.83 1l3g h ARG 52 N 0.55 0.00 -0.78 0.00 2.43 -0.98 -2.54 114.38 113.05 1l3g h ARG 52 Ca 0.08 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.44 1l3g h ARG 52 Cb 0.69 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.11 1l3g h ARG 52 CO 0.05 0.00 0.08 0.82 -1.51 0.00 0.00 179.97 179.41 1l3g h ILE 53 N -0.03 0.35 0.48 1.20 1.08 -1.19 1.20 117.51 120.60 1l3g h ILE 53 Ca 0.00 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1l3g h ILE 53 Cb 0.01 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1l3g h ILE 53 CO 0.00 0.03 -0.23 0.25 -0.69 0.00 0.00 178.15 177.51 1l3g h LEU 54 N 0.15 -0.55 -0.64 1.44 7.12 -1.24 0.23 115.31 121.82 1l3g h LEU 54 Ca 0.45 -0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.51 1l3g h LEU 54 Cb 0.82 0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 41.00 1l3g h LEU 54 CO -0.65 -0.15 0.20 1.05 -0.13 0.00 0.00 178.44 178.77 1l3g h GLU 55 N -1.05 0.34 0.00 1.25 -0.00 -0.87 3.40 114.58 117.65 1l3g h GLU 55 Ca -0.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.36 59.23 1l3g h GLU 55 Cb 0.58 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.25 1l3g h GLU 55 CO 0.11 0.22 -0.19 -0.22 -0.00 0.00 0.00 179.01 178.94 1l3g h LYS 56 N 0.35 0.00 0.03 1.06 1.63 0.14 4.05 116.57 123.82 1l3g h LYS 56 Ca 0.34 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.95 1l3g h LYS 56 Cb 0.48 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1l3g h LYS 56 CO -0.37 0.19 -1.01 1.49 -3.45 0.00 0.00 179.45 176.30 1l3g h GLU 57 N 0.00 0.06 0.04 1.90 4.22 0.31 -3.37 114.58 117.73 1l3g h GLU 57 Ca -0.00 -0.10 -0.34 0.00 0.08 0.00 0.00 59.36 59.01 1l3g h GLU 57 Cb 0.74 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1l3g h GLU 57 CO 0.02 1.05 -1.98 0.28 -2.18 0.00 0.00 179.01 176.20 1l3g n VAL 58 N -4.35 1.61 -0.28 0.32 0.31 1.09 -3.96 118.33 113.08 1l3g n VAL 58 Ca -0.25 -0.74 0.08 0.00 -0.01 0.00 0.00 64.34 63.42 1l3g n VAL 58 Cb 0.69 -1.18 0.21 0.00 -0.91 0.00 0.00 33.84 32.64 1l3g n VAL 58 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1l3g h LEU 59 N 0.02 -0.25 0.00 7.52 7.12 0.79 4.30 115.31 134.81 1l3g h LEU 59 Ca -0.40 0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1l3g h LEU 59 Cb 2.05 0.33 0.00 0.00 -0.53 0.00 0.00 40.66 42.51 1l3g h LEU 59 CO 0.06 -0.18 0.00 1.17 -0.13 0.00 0.00 178.44 179.35 1l3g n LYS 60 N -5.32 0.24 0.00 1.25 4.81 -1.23 -4.74 118.16 113.17 1l3g n LYS 60 Ca 0.17 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1l3g n LYS 60 Cb 0.56 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1l3g n GLU 61 N -1.34 3.97 -1.33 1.64 1.02 1.41 -5.00 120.64 121.01 1l3g n GLU 61 Ca 0.09 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 1l3g n GLU 61 Cb 0.21 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.70 1l3g n GLU 61 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1l3g n THR 62 N 0.00 3.59 -1.84 2.62 -2.24 -1.21 -4.96 114.28 110.24 1l3g n THR 62 Ca 0.00 -2.91 -0.42 0.00 -2.27 0.00 0.00 64.05 58.45 1l3g n THR 62 Cb 0.00 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.03 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 -3.73 2.98 0.13 4.78 -3.43 -1.09 -4.69 115.29 110.24 1l3g s HIS 63 Ca 0.63 0.52 -0.12 0.00 -0.80 0.00 0.00 55.06 55.29 1l3g s HIS 63 Cb 0.49 -4.02 0.01 0.00 -1.43 0.00 0.00 32.58 27.63 1l3g s HIS 63 CO -0.02 -3.79 0.31 -1.21 -2.00 0.00 0.00 174.74 168.02 1l3g s GLU 64 N 1.06 1.04 -0.14 -0.38 0.41 -1.26 -4.87 118.70 114.56 1l3g s GLU 64 Ca 0.72 -0.91 -0.05 0.00 -0.41 0.00 0.00 54.97 54.31 1l3g s GLU 64 Cb -0.46 0.41 -0.04 0.00 -1.78 0.00 0.00 34.13 32.26 1l3g s GLU 64 CO 0.32 -0.38 0.05 0.15 -0.49 0.00 0.00 175.26 174.91 1l3g s LYS 65 N -3.86 3.59 -0.14 1.61 -0.14 -1.03 -0.22 119.74 119.55 1l3g s LYS 65 Ca 0.07 -0.35 -0.20 0.00 -1.36 0.00 0.00 55.97 54.13 1l3g s LYS 65 Cb 0.03 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1l3g s LYS 65 CO -0.08 0.47 0.60 0.14 -0.76 0.00 0.00 175.35 175.71 1l3g s VAL 66 N -0.19 5.08 0.04 3.17 -7.23 -1.10 -4.90 120.40 115.27 1l3g s VAL 66 Ca 0.07 1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 61.38 1l3g s VAL 66 Cb -0.12 -3.92 -0.02 0.00 0.56 0.00 0.00 36.38 32.87 1l3g s VAL 66 CO 0.02 0.21 0.01 0.00 -0.31 0.00 0.00 175.10 175.03 1l3g s GLN 67 N 1.27 0.52 0.00 4.82 -2.07 -1.26 -4.32 119.66 118.62 1l3g s GLN 67 Ca 0.30 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 1l3g s GLN 67 Cb -0.16 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1l3g s GLN 67 CO 0.12 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.39 1l3g n GLY 68 N 0.74 1.10 0.00 2.60 0.00 -1.26 -3.70 105.19 104.67 1l3g n GLY 68 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.57 3.27 -0.02 0.00 -1.26 -5.03 105.19 100.72 1l3g n GLY 69 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1l3g n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1l3g s PHE 70 N -2.00 3.64 0.00 1.61 -0.12 -1.24 -4.37 117.98 115.49 1l3g s PHE 70 Ca 0.00 -2.10 0.00 0.00 -0.05 0.00 0.00 56.93 54.78 1l3g s PHE 70 Cb 0.00 -3.67 0.00 0.00 -0.63 0.00 0.00 43.02 38.72 1l3g s PHE 70 CO 0.00 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 174.62 1l3g n GLY 71 N 3.99 0.60 0.00 1.99 0.00 -1.26 -4.24 105.19 106.27 1l3g n GLY 71 Ca 0.10 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.15 0.10 0.07 1.61 0.00 -1.26 -1.68 118.16 114.86 1l3g n LYS 72 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 58.31 58.48 1l3g n LYS 72 Cb 0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.62 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 -1.89 -3.38 116.97 117.42 1l3g h TYR 73 Ca 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.42 1l3g h TYR 73 Cb 0.26 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.95 1l3g h TYR 73 CO 0.00 0.54 -2.00 1.04 -1.05 0.00 0.00 178.16 176.69 1l3g n GLN 74 N -3.01 0.63 0.00 4.88 3.00 -0.83 -4.48 117.38 117.57 1l3g n GLN 74 Ca -0.05 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1l3g n GLN 74 Cb 0.79 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.41 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 1.65 1.44 3.06 1.08 0.00 -0.67 -4.11 105.19 107.63 1l3g n GLY 75 Ca -0.41 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 5.22 -1.62 2.61 -1.04 0.70 -2.47 114.28 117.68 1l3g n THR 76 Ca 0.00 -5.85 -0.30 0.00 -2.04 0.00 0.00 64.05 55.85 1l3g n THR 76 Cb 0.00 -2.16 0.06 0.00 -1.82 0.00 0.00 70.33 66.41 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 -2.56 3.06 0.16 -1.42 -2.14 -1.21 0.18 118.94 115.01 1l3g s TRP 77 Ca 0.31 1.26 -0.02 0.00 2.66 0.00 0.00 56.10 60.31 1l3g s TRP 77 Cb 0.02 -2.98 -0.03 0.00 -3.10 0.00 0.00 33.47 27.38 1l3g s TRP 77 CO 0.08 -1.40 0.12 0.14 -2.66 0.00 0.00 176.95 173.23 1l3g s VAL 78 N -3.13 0.06 -0.18 -0.66 -7.23 1.34 -4.17 120.40 106.43 1l3g s VAL 78 Ca 0.59 -1.86 -0.33 0.00 -1.81 0.00 0.00 61.98 58.57 1l3g s VAL 78 Cb -0.14 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 1l3g s VAL 78 CO 0.54 -0.29 2.05 -0.81 -0.31 0.00 0.00 175.10 176.28 1l3g n PRO 79 N -0.17 1.87 -0.27 4.82 -0.04 -1.26 0.50 135.00 140.45 1l3g n PRO 79 Ca -0.03 0.62 0.30 0.00 -0.04 0.00 0.00 63.50 64.34 1l3g n PRO 79 Cb 0.64 -2.76 0.68 0.00 -0.04 0.00 0.00 33.50 32.02 1l3g n PRO 79 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1l3g h LEU 80 N 11.53 0.11 -2.02 1.53 4.07 0.23 1.60 115.31 132.36 1l3g h LEU 80 Ca -0.41 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.56 1l3g h LEU 80 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1l3g h LEU 80 CO 0.97 0.03 -0.02 0.78 -1.08 0.00 0.00 178.44 179.12 1l3g h ASN 81 N 0.10 0.00 0.00 -0.43 4.21 -1.87 -1.96 115.58 115.63 1l3g h ASN 81 Ca 0.52 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.89 1l3g h ASN 81 Cb 1.86 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 39.04 1l3g h ASN 81 CO -0.07 0.02 -1.61 2.30 -1.29 0.00 0.00 177.43 176.78 1l3g n ILE 82 N -4.43 0.51 0.36 2.81 -6.64 0.23 -4.28 119.36 107.91 1l3g n ILE 82 Ca -0.03 -0.36 -0.16 0.00 -1.77 0.00 0.00 62.75 60.43 1l3g n ILE 82 Cb 0.11 -0.53 -0.08 0.00 -1.44 0.00 0.00 39.64 37.69 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 0.56 -0.93 -0.33 -1.28 0.00 0.21 -1.35 119.26 116.15 1l3g h ALA 83 Ca -0.20 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1l3g h ALA 83 Cb 1.34 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1l3g h ALA 83 CO 0.01 -0.91 0.22 1.57 0.00 0.00 0.00 179.25 180.14 1l3g h LYS 84 N -1.14 0.30 0.00 0.00 2.10 -1.57 0.48 116.57 116.74 1l3g h LYS 84 Ca -0.09 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.46 1l3g h LYS 84 Cb 0.74 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 1l3g h LYS 84 CO 0.16 0.20 -0.38 0.37 -2.00 0.00 0.00 179.45 177.80 1l3g h GLN 85 N 0.31 0.00 0.15 0.07 4.15 -1.69 0.68 115.11 118.79 1l3g h GLN 85 Ca 0.13 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.26 1l3g h GLN 85 Cb 0.15 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.85 1l3g h GLN 85 CO -0.03 0.38 -1.46 1.25 -1.93 0.00 0.00 178.83 177.04 1l3g h LEU 86 N 0.00 0.51 0.00 -2.39 7.12 0.14 -3.37 115.31 117.32 1l3g h LEU 86 Ca -0.00 -0.90 -0.01 0.00 0.13 0.00 0.00 57.88 57.10 1l3g h LEU 86 Cb 0.77 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1l3g h LEU 86 CO 0.05 1.66 -0.39 0.00 -0.13 0.00 0.00 178.44 179.63 1l3g h ALA 87 N 0.03 0.01 -0.68 1.25 0.00 -0.94 -3.35 119.26 115.58 1l3g h ALA 87 Ca -0.30 -0.39 0.20 0.00 0.00 0.00 0.00 54.91 54.42 1l3g h ALA 87 Cb 1.89 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 1l3g h ALA 87 CO 0.12 0.38 0.85 -0.85 0.00 0.00 0.00 179.25 179.75 1l3g n GLU 88 N -4.66 0.01 0.00 0.00 0.28 0.24 -0.88 120.64 115.63 1l3g n GLU 88 Ca -0.06 0.71 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 1l3g n GLU 88 Cb 0.21 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.29 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 -2.61 0.00 -0.06 3.44 4.81 -1.25 -3.82 118.16 118.67 1l3g n LYS 89 Ca 0.15 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.65 1l3g n LYS 89 Cb 1.06 -0.02 0.09 0.00 0.02 0.00 0.00 35.03 36.17 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 0.16 0.00 5.64 -0.00 -1.10 -4.12 117.46 118.04 1l3g n PHE 90 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 1l3g n PHE 90 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.48 39.47 1l3g n PHE 90 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1l3g n SER 91 N 0.64 0.00 -0.03 -2.13 2.88 -0.06 -4.66 113.62 110.27 1l3g n SER 91 Ca 0.09 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1l3g n SER 91 Cb 0.34 -0.30 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1l3g n SER 91 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1l3g n VAL 92 N -1.39 0.83 -0.61 2.46 0.31 -0.99 -4.32 118.33 114.62 1l3g n VAL 92 Ca 0.00 -0.92 0.48 0.00 -0.01 0.00 0.00 64.34 63.90 1l3g n VAL 92 Cb 0.00 0.59 0.76 0.00 -0.91 0.00 0.00 33.84 34.28 1l3g n VAL 92 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1l3g h TYR 93 N 0.09 0.00 0.00 3.52 3.20 -1.63 0.72 116.97 122.86 1l3g h TYR 93 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1l3g h TYR 93 Cb 0.43 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1l3g h TYR 93 CO 0.01 0.00 -0.67 -0.40 -1.64 0.00 0.00 178.16 175.46 1l3g n ASP 94 N -3.84 1.82 -0.26 -2.11 5.75 -1.26 -3.73 116.55 112.93 1l3g n ASP 94 Ca 0.40 0.59 -0.04 0.00 -0.01 0.00 0.00 54.79 55.73 1l3g n ASP 94 Cb 1.90 -0.89 0.07 0.00 -1.03 0.00 0.00 41.12 41.17 1l3g n ASP 94 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1l3g h GLN 95 N -1.00 0.90 -1.00 0.11 4.15 -1.49 -1.55 115.11 115.23 1l3g h GLN 95 Ca -0.07 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.12 1l3g h GLN 95 Cb 0.67 -0.20 -0.10 0.00 0.21 0.00 0.00 27.48 28.06 1l3g h GLN 95 CO -0.04 0.59 0.22 1.28 -1.93 0.00 0.00 178.83 178.95 1l3g n LEU 96 N -4.62 4.23 0.10 -2.39 4.77 0.24 -4.48 117.00 114.85 1l3g n LEU 96 Ca 0.07 -2.19 -0.14 0.00 -0.03 0.00 0.00 56.01 53.72 1l3g n LEU 96 Cb 0.05 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1l3g n LEU 96 CO 0.34 0.68 0.60 0.11 -1.33 0.00 0.00 177.39 177.79 1l3g h LYS 97 N 0.36 -0.59 0.87 3.23 1.79 -1.36 0.31 116.57 121.18 1l3g h LYS 97 Ca 0.21 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1l3g h LYS 97 Cb 1.62 0.13 0.01 0.00 -1.58 0.00 0.00 32.23 32.41 1l3g h LYS 97 CO 0.37 -0.40 -0.42 -1.35 -1.08 0.00 0.00 179.45 176.58 1l3g h PRO 98 N -0.62 -1.12 -1.05 3.15 0.11 -1.85 0.34 132.00 130.97 1l3g h PRO 98 Ca 0.03 0.08 0.29 0.00 0.11 0.00 0.00 66.00 66.50 1l3g h PRO 98 Cb 0.66 0.26 -0.12 0.00 0.11 0.00 0.00 31.00 31.90 1l3g h PRO 98 CO -0.25 -0.74 0.64 1.25 -0.21 0.00 0.00 178.00 178.69 1l3g h LEU 99 N -1.25 0.53 0.00 2.35 5.85 -1.84 0.64 115.31 121.58 1l3g h LEU 99 Ca -0.12 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1l3g h LEU 99 Cb 0.90 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1l3g h LEU 99 CO 0.20 0.02 -0.72 0.15 -0.34 0.00 0.00 178.44 177.75 1l3g h PHE 100 N 0.42 0.00 0.00 1.25 3.04 -0.08 -3.19 116.94 118.37 1l3g h PHE 100 Ca 0.66 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.58 1l3g h PHE 100 Cb 1.54 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.04 1l3g h PHE 100 CO -0.01 0.67 -0.14 -0.44 -2.02 0.00 0.00 178.31 176.37 1l3g h ASP 101 N 0.00 0.00 -3.31 0.41 3.32 0.44 -3.49 116.42 113.79 1l3g h ASP 101 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1l3g h ASP 101 Cb 1.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1l3g h ASP 101 CO 0.08 0.14 -0.19 0.33 -1.72 0.00 0.00 179.24 177.89 1l3g n PHE 102 N -3.32 -1.00 -2.42 4.55 7.35 -0.59 -4.79 117.46 117.24 1l3g n PHE 102 Ca 0.00 0.60 -0.38 0.00 -0.76 0.00 0.00 57.45 56.91 1l3g n PHE 102 Cb 0.37 -2.33 -0.03 0.00 0.35 0.00 0.00 39.48 37.84 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 -0.14 3.72 0.29 -2.13 -4.23 -1.26 -4.97 115.64 106.92 1l3g s THR 103 Ca 0.00 -0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1l3g s THR 103 Cb 0.00 -4.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.08 1l3g s THR 103 CO 0.00 -1.64 0.24 -1.58 -0.54 0.00 0.00 174.62 171.09 1l3g s GLN 104 N 5.76 2.83 -0.44 3.99 0.74 -1.26 -5.08 119.66 126.20 1l3g s GLN 104 Ca 0.49 -1.17 -0.15 0.00 0.05 0.00 0.00 55.36 54.59 1l3g s GLN 104 Cb -0.05 -2.52 0.05 0.00 1.10 0.00 0.00 33.01 31.59 1l3g s GLN 104 CO 0.02 0.26 0.34 0.95 -0.55 0.00 0.00 175.29 176.32 1l3g s THR 105 N -2.21 5.17 -0.54 -0.34 -4.23 -1.26 -4.90 115.64 107.32 1l3g s THR 105 Ca 0.36 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1l3g s THR 105 Cb -0.07 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1l3g s THR 105 CO 0.26 -0.45 0.00 0.47 -0.54 0.00 0.00 174.62 174.36 1l3g n ASP 106 N 5.16 0.00 0.00 3.99 9.92 -1.26 -4.36 116.55 130.00 1l3g n ASP 106 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1l3g n ASP 106 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 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 0.61 1.96 3.83 0.44 0.00 -1.26 -5.04 105.19 105.73 1l3g n GLY 107 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.80 6.89 -0.25 1.61 0.01 -1.26 -4.92 113.70 113.97 1l3g s SER 108 Ca 0.00 1.10 -0.23 0.00 1.31 0.00 0.00 55.95 58.13 1l3g s SER 108 Cb 0.00 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.84 1l3g s SER 108 CO 0.00 0.21 0.92 0.00 0.41 0.00 0.00 173.24 174.78 1l3g n ALA 109 N 1.31 -0.30 -3.40 1.44 0.00 -1.26 -4.84 120.51 113.45 1l3g n ALA 109 Ca -0.09 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1l3g n ALA 109 Cb 0.52 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 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 2.19 5.23 0.40 0.00 0.15 -1.26 -5.04 113.70 115.36 1l3g s SER 110 Ca 0.55 -1.30 -0.25 0.00 0.70 0.00 0.00 55.95 55.65 1l3g s SER 110 Cb -0.74 -1.83 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 1l3g s SER 110 CO 0.37 -0.35 1.21 -2.16 1.20 0.00 0.00 173.24 173.51 1l3g s PRO 111 N 1.34 4.01 0.98 5.44 0.04 -1.26 -4.99 135.00 140.56 1l3g s PRO 111 Ca -0.01 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1l3g s PRO 111 Cb -0.20 -2.69 0.14 0.00 0.04 0.00 0.00 34.50 31.78 1l3g s PRO 111 CO 0.01 -0.39 0.86 -2.30 0.04 0.00 0.00 177.00 175.22 1l3g n PRO 112 N 0.07 -0.80 0.00 0.56 -0.02 -1.26 -4.99 135.00 128.56 1l3g n PRO 112 Ca 0.04 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1l3g n PRO 112 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 -3.55 0.00 -1.05 0.52 -0.02 -1.26 -4.56 135.00 125.07 1l3g n PRO 113 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 1l3g n PRO 113 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.96 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 -2.71 -1.60 3.55 0.00 -1.26 -4.63 120.51 110.87 1l3g n ALA 114 Ca 0.00 0.42 -0.48 0.00 0.00 0.00 0.00 53.44 53.38 1l3g n ALA 114 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 1.04 1.80 -2.27 0.00 -0.02 -1.26 -4.95 135.00 129.35 1l3g n PRO 115 Ca 0.14 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 1l3g n PRO 115 Cb 0.06 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 30.82 1l3g n PRO 115 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1l3g s LYS 116 N 5.17 3.78 -0.00 -0.52 2.47 -1.26 -4.99 119.74 124.37 1l3g s LYS 116 Ca 0.99 0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 55.88 1l3g s LYS 116 Cb -0.67 -2.16 -0.05 0.00 -1.46 0.00 0.00 37.83 33.49 1l3g s LYS 116 CO 0.48 -0.35 1.34 -3.38 0.16 0.00 0.00 175.35 173.60 1l3g s HIS 117 N -2.81 2.99 0.48 4.03 -3.43 -1.26 -4.97 115.29 110.32 1l3g s HIS 117 Ca 0.56 0.95 -0.24 0.00 -0.80 0.00 0.00 55.06 55.53 1l3g s HIS 117 Cb -0.10 -3.59 -0.07 0.00 -1.43 0.00 0.00 32.58 27.38 1l3g s HIS 117 CO 0.41 -2.10 1.41 -1.58 -2.00 0.00 0.00 174.74 170.87 1l3g s HIS 118 N 2.19 2.41 -0.25 0.38 2.46 -1.26 -4.88 115.29 116.34 1l3g s HIS 118 Ca 0.62 1.30 -0.29 0.00 0.47 0.00 0.00 55.06 57.15 1l3g s HIS 118 Cb -0.30 -3.88 -0.02 0.00 -0.13 0.00 0.00 32.58 28.24 1l3g s HIS 118 CO 0.26 -2.92 1.66 -3.38 -2.47 0.00 0.00 174.74 167.88 1l3g s HIS 119 N -1.23 2.03 1.00 3.88 -3.43 -1.26 -4.95 115.29 111.33 1l3g s HIS 119 Ca 0.64 0.55 -0.21 0.00 -0.80 0.00 0.00 55.06 55.25 1l3g s HIS 119 Cb -0.43 -4.04 -0.17 0.00 -1.43 0.00 0.00 32.58 26.52 1l3g s HIS 119 CO 0.54 -2.94 -1.06 0.00 -2.00 0.00 0.00 174.74 169.27 1l3g n ALA 120 N 8.90 -5.62 -3.15 -1.38 0.00 -1.26 -4.82 120.51 113.18 1l3g n ALA 120 Ca 0.20 -0.93 -0.45 0.00 0.00 0.00 0.00 53.44 52.25 1l3g n ALA 120 Cb 0.46 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1l3g n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l3g s SER 121 N -1.01 6.24 0.03 0.00 0.15 -1.26 -5.03 113.70 112.82 1l3g s SER 121 Ca 0.39 -1.60 -0.30 0.00 0.70 0.00 0.00 55.95 55.13 1l3g s SER 121 Cb -0.08 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1l3g s SER 121 CO 0.77 -1.04 1.02 -0.75 1.20 0.00 0.00 173.24 174.44 1l3g s LYS 122 N 2.34 4.56 0.01 5.44 2.47 -1.26 -5.04 119.74 128.26 1l3g s LYS 122 Ca 0.11 1.49 0.04 0.00 -1.56 0.00 0.00 55.97 56.05 1l3g s LYS 122 Cb -0.24 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.68 1l3g s LYS 122 CO 0.04 -0.04 -0.09 0.14 0.16 0.00 0.00 175.35 175.56 1l3g s VAL 123 N 0.82 3.46 -1.42 4.02 -7.23 -1.26 -5.31 120.40 113.48 1l3g s VAL 123 Ca 0.52 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1l3g s VAL 123 Cb -0.23 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1l3g s VAL 123 CO 0.29 0.38 0.35 -0.90 -0.31 0.00 0.00 175.10 174.91