#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 0.66 -3.10 6.43 4.05 -1.26 -4.15 115.26 117.89 1l3g n ASN 3 Ca 0.00 -0.45 -0.17 0.00 0.45 0.00 0.00 54.58 54.41 1l3g n ASN 3 Cb 0.00 0.19 0.14 0.00 1.23 0.00 0.00 39.78 41.35 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1l3g n GLN 4 N -1.22 -2.16 -3.75 1.20 1.13 -1.26 -4.39 117.38 106.93 1l3g n GLN 4 Ca 0.08 -1.00 -0.35 0.00 -1.94 0.00 0.00 57.00 53.79 1l3g n GLN 4 Cb 0.34 -0.92 -0.10 0.00 0.11 0.00 0.00 30.24 29.67 1l3g n GLN 4 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1l3g s ILE 5 N -2.14 3.60 1.09 5.09 1.09 -1.26 -4.21 121.20 124.46 1l3g s ILE 5 Ca 0.40 -3.12 -0.12 0.00 -1.10 0.00 0.00 60.65 56.71 1l3g s ILE 5 Cb -0.04 -3.35 0.24 0.00 -1.06 0.00 0.00 42.46 38.26 1l3g s ILE 5 CO 0.31 -0.89 1.06 -0.31 -0.10 0.00 0.00 174.94 175.01 1l3g s TYR 6 N -0.25 1.44 0.12 3.97 2.02 -0.81 -2.66 117.35 121.19 1l3g s TYR 6 Ca 0.18 1.35 0.10 0.00 -0.37 0.00 0.00 57.07 58.33 1l3g s TYR 6 Cb -0.20 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 1l3g s TYR 6 CO -0.04 -3.57 -0.23 0.45 -1.57 0.00 0.00 175.55 170.60 1l3g s SER 7 N -2.58 3.58 0.06 2.29 0.15 13.78 -0.31 113.70 130.67 1l3g s SER 7 Ca 0.68 -0.66 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 1l3g s SER 7 Cb -0.24 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 63.71 1l3g s SER 7 CO 0.63 0.18 0.23 0.00 1.20 0.00 0.00 173.24 175.47 1l3g s ALA 8 N -1.10 -0.42 -0.14 5.45 0.00 0.58 -4.81 121.76 121.32 1l3g s ALA 8 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1l3g s ALA 8 Cb -0.10 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1l3g s ALA 8 CO 0.08 -0.43 0.00 0.50 0.00 0.00 0.00 175.76 175.91 1l3g s ARG 9 N -3.02 0.84 0.15 0.00 6.06 -1.26 0.41 118.95 122.12 1l3g s ARG 9 Ca -0.02 -0.25 -0.06 0.00 -2.50 0.00 0.00 55.73 52.90 1l3g s ARG 9 Cb 0.01 -1.68 -0.02 0.00 0.06 0.00 0.00 34.95 33.32 1l3g s ARG 9 CO -0.06 -0.47 0.19 0.71 -2.50 0.00 0.00 175.30 173.17 1l3g s TYR 10 N 1.84 0.56 -1.50 5.12 2.02 -0.43 -4.86 117.35 120.10 1l3g s TYR 10 Ca 0.02 -0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 55.77 1l3g s TYR 10 Cb -0.15 -0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 1l3g s TYR 10 CO -0.07 -0.63 0.12 0.43 -1.57 0.00 0.00 175.55 173.84 1l3g n SER 11 N -0.15 -5.21 0.00 2.29 7.64 -1.26 -0.31 113.62 116.62 1l3g n SER 11 Ca -0.07 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1l3g n SER 11 Cb 0.63 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1l3g n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1l3g n GLY 12 N -1.04 1.51 3.17 0.23 0.00 -1.26 -4.94 105.19 102.86 1l3g n GLY 12 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.37 1.88 0.53 1.61 1.01 0.58 -5.12 120.40 118.52 1l3g s VAL 13 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1l3g s VAL 13 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1l3g s VAL 13 CO 0.00 0.52 0.97 1.51 0.00 0.00 0.00 175.10 178.10 1l3g s ASP 14 N 0.49 6.48 0.36 3.32 -4.77 -1.26 -1.32 116.67 119.96 1l3g s ASP 14 Ca -0.16 1.46 -0.04 0.00 -3.30 0.00 0.00 52.55 50.51 1l3g s ASP 14 Cb -0.17 -2.47 0.01 0.00 -1.09 0.00 0.00 42.92 39.20 1l3g s ASP 14 CO 0.06 -0.65 0.52 0.68 0.70 0.00 0.00 175.17 176.48 1l3g s VAL 15 N -2.77 0.00 -0.03 2.11 -7.23 1.38 -2.00 120.40 111.86 1l3g s VAL 15 Ca 0.56 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1l3g s VAL 15 Cb -0.10 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 1l3g s VAL 15 CO 0.39 0.00 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.64 1l3g s TYR 16 N -2.90 2.10 -0.22 2.82 2.02 -1.24 0.21 117.35 120.14 1l3g s TYR 16 Ca 0.29 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 1l3g s TYR 16 Cb -0.01 -1.37 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1l3g s TYR 16 CO 0.20 -0.11 -0.16 -1.83 -1.57 0.00 0.00 175.55 172.08 1l3g s GLU 17 N -0.32 2.66 0.10 -0.62 -1.05 0.57 -2.45 118.70 117.60 1l3g s GLU 17 Ca 0.03 -1.06 0.09 0.00 -0.15 0.00 0.00 54.97 53.88 1l3g s GLU 17 Cb -0.11 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.83 1l3g s GLU 17 CO 0.01 -0.37 -0.22 -0.59 0.95 0.00 0.00 175.26 175.04 1l3g s PHE 18 N 1.21 1.88 -0.01 4.83 -0.71 0.10 -1.93 117.98 123.36 1l3g s PHE 18 Ca -0.01 -0.41 -0.27 0.00 -1.04 0.00 0.00 56.93 55.20 1l3g s PHE 18 Cb -0.16 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.57 1l3g s PHE 18 CO -0.09 0.22 0.86 0.96 -1.34 0.00 0.00 175.22 175.82 1l3g s ILE 19 N -1.10 4.89 0.00 -4.49 -0.00 -0.98 0.91 121.20 120.43 1l3g s ILE 19 Ca 0.08 1.81 0.00 0.00 -0.00 0.00 0.00 60.65 62.54 1l3g s ILE 19 Cb -0.10 -4.21 0.00 0.00 -0.00 0.00 0.00 42.46 38.16 1l3g s ILE 19 CO 0.04 0.22 0.00 1.41 -0.00 0.00 0.00 174.94 176.62 1l3g n HIS 20 N 3.66 0.00 -0.27 1.37 8.25 4.25 -4.81 115.22 127.67 1l3g n HIS 20 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1l3g n HIS 20 Cb 0.51 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.67 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 1.01 -0.58 0.41 4.64 -1.91 -1.76 113.55 115.36 1l3g h SER 21 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1l3g h SER 21 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1l3g h SER 21 CO 0.00 0.91 0.00 0.41 -0.87 0.00 0.00 176.83 177.28 1l3g n THR 22 N -4.34 1.03 0.00 2.95 -1.04 -1.26 -4.94 114.28 106.68 1l3g n THR 22 Ca 0.06 -0.85 0.00 0.00 -2.04 0.00 0.00 64.05 61.22 1l3g n THR 22 Cb 0.18 0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1l3g n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1l3g n GLY 23 N 1.30 1.35 3.74 3.41 0.00 -0.66 -4.89 105.19 109.43 1l3g n GLY 23 Ca 0.20 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 7.32 -0.18 1.61 0.15 -1.11 0.79 113.70 118.29 1l3g s SER 24 Ca 0.00 2.02 -0.03 0.00 0.70 0.00 0.00 55.95 58.64 1l3g s SER 24 Cb 0.00 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1l3g s SER 24 CO 0.00 -0.18 -0.07 -0.63 1.20 0.00 0.00 173.24 173.55 1l3g s ILE 25 N -0.18 3.32 0.40 6.45 1.01 5.55 -4.34 121.20 133.42 1l3g s ILE 25 Ca 0.49 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.68 1l3g s ILE 25 Cb -0.28 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1l3g s ILE 25 CO 0.34 0.47 0.51 -0.04 0.00 0.00 0.00 174.94 176.22 1l3g s MET 26 N 0.92 2.82 -0.04 2.79 -1.94 -1.07 0.02 119.30 122.79 1l3g s MET 26 Ca -0.01 -1.26 -0.15 0.00 -1.71 0.00 0.00 55.69 52.55 1l3g s MET 26 Cb -0.15 -2.69 0.03 0.00 2.01 0.00 0.00 34.83 34.03 1l3g s MET 26 CO 0.00 -0.19 0.34 0.15 -0.01 0.00 0.00 175.02 175.31 1l3g s LYS 27 N -4.27 0.64 -0.17 2.03 1.02 -1.03 -3.44 119.74 114.51 1l3g s LYS 27 Ca 0.52 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.19 1l3g s LYS 27 Cb -0.09 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1l3g s LYS 27 CO 0.32 -0.16 1.13 0.50 -0.92 0.00 0.00 175.35 176.21 1l3g s ARG 28 N -1.00 4.29 0.15 1.68 3.00 -1.11 -3.71 118.95 122.25 1l3g s ARG 28 Ca -0.11 1.50 -0.15 0.00 -1.00 0.00 0.00 55.73 55.97 1l3g s ARG 28 Cb -0.04 -3.66 0.02 0.00 0.00 0.00 0.00 34.95 31.27 1l3g s ARG 28 CO 0.04 -0.59 1.71 -0.22 0.00 0.00 0.00 175.30 176.24 1l3g h LYS 29 N 7.64 0.67 0.20 5.12 3.11 -1.74 10.82 116.57 142.38 1l3g h LYS 29 Ca -0.25 -0.11 0.01 0.00 -2.81 0.00 0.00 60.65 57.49 1l3g h LYS 29 Cb 1.10 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.19 1l3g h LYS 29 CO 0.95 0.59 -0.26 0.87 -2.81 0.00 0.00 179.45 178.78 1l3g h LYS 30 N 0.59 -0.50 -0.32 1.90 1.79 -1.91 -3.07 116.57 115.05 1l3g h LYS 30 Ca 0.15 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1l3g h LYS 30 Cb 0.15 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1l3g h LYS 30 CO -0.02 -0.33 0.00 -0.25 -1.08 0.00 0.00 179.45 177.77 1l3g n ASP 31 N -5.38 2.91 -3.99 0.86 9.92 -1.17 -5.00 116.55 114.70 1l3g n ASP 31 Ca -0.08 -1.87 -0.42 0.00 -0.53 0.00 0.00 54.79 51.89 1l3g n ASP 31 Cb 0.29 -0.21 0.02 0.00 -0.64 0.00 0.00 41.12 40.58 1l3g n ASP 31 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1l3g n ASP 32 N 0.86 -4.41 -4.91 -2.24 9.92 3.41 -4.36 116.55 114.82 1l3g n ASP 32 Ca 0.13 -1.21 -0.27 0.00 -0.53 0.00 0.00 54.79 52.91 1l3g n ASP 32 Cb 0.45 -1.86 -0.01 0.00 -0.64 0.00 0.00 41.12 39.07 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1l3g s TRP 33 N -3.43 3.55 0.10 1.24 0.51 -1.05 -0.19 118.94 119.67 1l3g s TRP 33 Ca 0.41 0.76 0.09 0.00 -2.12 0.00 0.00 56.10 55.24 1l3g s TRP 33 Cb -0.22 -2.25 -0.04 0.00 -0.81 0.00 0.00 33.47 30.15 1l3g s TRP 33 CO 0.95 -0.19 -0.20 0.08 -0.51 0.00 0.00 176.95 177.08 1l3g s VAL 34 N -2.63 2.71 -0.57 4.03 1.01 7.89 -2.74 120.40 130.09 1l3g s VAL 34 Ca 0.47 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 1l3g s VAL 34 Cb -0.10 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1l3g s VAL 34 CO 0.42 0.16 2.18 0.21 0.00 0.00 0.00 175.10 178.07 1l3g s ASN 35 N -1.94 4.74 0.57 3.32 3.84 -1.22 0.93 114.94 125.19 1l3g s ASN 35 Ca 0.16 0.65 0.34 0.00 0.21 0.00 0.00 52.86 54.23 1l3g s ASN 35 Cb -0.10 -2.52 1.42 0.00 -0.55 0.00 0.00 41.25 39.50 1l3g s ASN 35 CO 0.08 -2.75 1.68 0.00 -2.79 0.00 0.00 177.10 173.32 1l3g h ALA 36 N 17.05 2.95 -0.35 1.71 0.00 1.49 0.37 119.26 142.49 1l3g h ALA 36 Ca -0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1l3g h ALA 36 Cb 1.20 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1l3g h ALA 36 CO 1.18 -1.48 0.19 1.15 0.00 0.00 0.00 179.25 180.29 1l3g h THR 37 N 0.00 1.14 0.00 0.00 2.02 -1.83 4.46 112.91 118.70 1l3g h THR 37 Ca 0.51 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1l3g h THR 37 Cb 2.35 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1l3g h THR 37 CO -0.01 0.14 -0.10 0.45 0.37 0.00 0.00 175.52 176.38 1l3g h HIS 38 N 0.44 0.00 0.03 3.16 3.86 -0.60 3.87 115.15 125.90 1l3g h HIS 38 Ca 0.12 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.06 1l3g h HIS 38 Cb 0.06 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1l3g h HIS 38 CO -0.03 0.10 -1.48 -0.89 0.86 0.00 0.00 177.93 176.49 1l3g n ILE 39 N -3.98 1.60 -0.11 2.45 -0.00 -0.36 -3.24 119.36 115.73 1l3g n ILE 39 Ca -0.02 -0.19 -0.22 0.00 -0.00 0.00 0.00 62.75 62.31 1l3g n ILE 39 Cb 0.19 -1.96 -0.11 0.00 -0.00 0.00 0.00 39.64 37.76 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 -4.19 1.86 0.25 1.39 -0.00 1.45 -4.09 117.00 113.67 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 0.78 -0.95 0.63 0.00 -0.00 0.00 0.00 43.42 43.88 1l3g n LEU 40 CO 0.24 0.27 0.91 0.50 -0.00 0.00 0.00 177.39 179.32 1l3g h LYS 41 N -1.00 0.00 0.00 1.96 3.64 0.67 1.29 116.57 123.13 1l3g h LYS 41 Ca -0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1l3g h LYS 41 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1l3g h LYS 41 CO -0.22 0.17 -0.06 0.00 -2.27 0.00 0.00 179.45 177.07 1l3g h ALA 42 N 1.83 1.15 0.00 5.00 0.00 0.20 -1.03 119.26 126.42 1l3g h ALA 42 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1l3g h ALA 42 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1l3g h ALA 42 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1l3g n ALA 43 N -2.19 1.28 -0.43 0.00 0.00 -0.66 -4.75 120.51 113.77 1l3g n ALA 43 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.22 1l3g n ALA 43 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.11 1.42 -0.80 0.00 0.23 0.44 -5.09 115.26 111.35 1l3g n ASN 44 Ca 0.00 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 1l3g n ASN 44 Cb 0.09 -0.04 -0.00 0.00 -2.08 0.00 0.00 39.78 37.75 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 -0.42 -0.21 -2.61 -2.53 3.72 -0.40 -4.25 117.46 110.76 1l3g n PHE 45 Ca 0.01 0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 57.12 1l3g n PHE 45 Cb 0.36 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -4.51 2.80 0.00 4.37 0.00 -1.26 -3.92 121.76 119.24 1l3g s ALA 46 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.86 1l3g s ALA 46 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1l3g s ALA 46 CO 0.00 -3.45 0.00 1.63 0.00 0.00 0.00 175.76 173.94 1l3g n LYS 47 N 8.71 0.00 0.12 0.00 5.02 -1.26 -4.88 118.16 125.87 1l3g n LYS 47 Ca 0.24 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.73 1l3g n LYS 47 Cb 0.50 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 36.23 1l3g n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l3g h ALA 48 N 1.10 2.03 0.12 7.82 0.00 -1.94 0.34 119.26 128.72 1l3g h ALA 48 Ca 0.00 -0.01 -0.01 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 -0.69 -0.06 0.87 0.00 0.00 0.00 179.25 179.37 1l3g h LYS 49 N 0.00 -0.15 0.00 0.00 1.79 -1.87 -2.86 116.57 113.47 1l3g h LYS 49 Ca 0.18 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1l3g h LYS 49 Cb 1.17 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1l3g h LYS 49 CO -0.00 0.24 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.44 1l3g h ARG 50 N -0.59 0.00 -0.19 3.15 1.12 -0.52 0.18 114.38 117.53 1l3g h ARG 50 Ca -0.02 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.77 1l3g h ARG 50 Cb 0.46 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 1l3g h ARG 50 CO 0.03 0.08 -0.27 1.15 -3.11 0.00 0.00 179.97 177.85 1l3g h THR 51 N 0.00 1.26 0.00 0.20 2.02 -0.96 -1.26 112.91 114.17 1l3g h THR 51 Ca -0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1l3g h THR 51 Cb 0.20 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1l3g h THR 51 CO 0.01 0.38 -0.43 -1.14 0.37 0.00 0.00 175.52 174.71 1l3g n ARG 52 N -4.13 0.30 -0.24 6.66 0.63 -0.57 -2.78 116.66 116.52 1l3g n ARG 52 Ca -0.01 0.31 0.01 0.00 -0.92 0.00 0.00 57.85 57.24 1l3g n ARG 52 Cb 0.39 -1.23 0.09 0.00 0.45 0.00 0.00 32.46 32.17 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1l3g h ILE 53 N -0.61 0.30 0.50 5.15 1.08 -0.82 4.70 117.51 127.80 1l3g h ILE 53 Ca 0.00 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1l3g h ILE 53 Cb 0.43 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1l3g h ILE 53 CO 0.00 0.00 -0.24 0.25 -0.69 0.00 0.00 178.15 177.47 1l3g h LEU 54 N 0.01 -0.57 0.25 1.44 7.12 -1.37 1.52 115.31 123.71 1l3g h LEU 54 Ca 0.35 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.29 1l3g h LEU 54 Cb 0.55 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1l3g h LEU 54 CO -0.72 -0.17 -0.12 -0.33 -0.13 0.00 0.00 178.44 176.97 1l3g h GLU 55 N -1.06 -0.32 0.09 1.25 5.08 -1.18 0.68 114.58 119.12 1l3g h GLU 55 Ca -0.07 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1l3g h GLU 55 Cb 0.59 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1l3g h GLU 55 CO 0.11 -0.12 -0.04 0.87 -1.00 0.00 0.00 179.01 178.83 1l3g h LYS 56 N -0.45 -0.11 -0.56 2.33 1.79 0.92 3.44 116.57 123.93 1l3g h LYS 56 Ca -0.03 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1l3g h LYS 56 Cb 0.34 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 1l3g h LYS 56 CO 0.06 0.43 0.26 1.49 -1.08 0.00 0.00 179.45 180.61 1l3g h GLU 57 N -0.85 0.48 0.02 3.15 4.22 0.27 -2.87 114.58 119.00 1l3g h GLU 57 Ca -0.01 -0.03 -0.24 0.00 0.08 0.00 0.00 59.36 59.16 1l3g h GLU 57 Cb 0.59 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1l3g h GLU 57 CO 0.02 0.32 -1.30 0.28 -2.18 0.00 0.00 179.01 176.14 1l3g h VAL 58 N 0.49 0.93 -0.72 0.32 2.07 0.76 -3.34 116.25 116.76 1l3g h VAL 58 Ca 0.26 -2.22 0.20 0.00 0.82 0.00 0.00 66.70 65.75 1l3g h VAL 58 Cb 0.21 2.35 -0.13 0.00 -1.52 0.00 0.00 31.29 32.20 1l3g h VAL 58 CO -0.20 0.43 0.02 -0.11 0.02 0.00 0.00 177.57 177.72 1l3g n LEU 59 N -4.29 -0.08 0.03 2.57 -0.00 1.14 0.85 117.00 117.22 1l3g n LEU 59 Ca -0.31 1.22 0.09 0.00 -0.00 0.00 0.00 56.01 57.02 1l3g n LEU 59 Cb 0.73 -0.45 0.40 0.00 -0.00 0.00 0.00 43.42 44.11 1l3g n LEU 59 CO 0.24 -1.24 0.80 0.29 -0.00 0.00 0.00 177.39 177.48 1l3g n LYS 60 N -4.98 0.05 -0.65 1.96 4.76 -1.09 -4.70 118.16 113.52 1l3g n LYS 60 Ca 0.17 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1l3g n LYS 60 Cb 0.56 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1l3g n GLU 61 N -1.70 2.77 -0.74 1.97 -0.58 4.80 -4.97 120.64 122.19 1l3g n GLU 61 Ca 0.04 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.71 1l3g n GLU 61 Cb 0.22 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.04 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 -0.17 2.44 -1.76 2.62 -1.04 -1.25 -4.91 114.28 110.22 1l3g n THR 62 Ca 0.00 -1.04 -0.42 0.00 -2.04 0.00 0.00 64.05 60.54 1l3g n THR 62 Cb 0.00 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 66.85 1l3g n THR 62 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1l3g s HIS 63 N 0.00 1.44 0.03 -1.42 -3.43 -1.23 -4.59 115.29 106.09 1l3g s HIS 63 Ca 0.26 -0.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.51 1l3g s HIS 63 Cb 0.14 -4.10 -0.02 0.00 -1.43 0.00 0.00 32.58 27.17 1l3g s HIS 63 CO -0.01 -4.71 -0.08 -1.21 -2.00 0.00 0.00 174.74 166.73 1l3g s GLU 64 N 4.85 0.58 -0.04 -0.38 0.41 -1.25 -4.87 118.70 118.00 1l3g s GLU 64 Ca 0.87 -0.60 -0.03 0.00 -0.41 0.00 0.00 54.97 54.80 1l3g s GLU 64 Cb -0.37 -0.46 -0.04 0.00 -1.78 0.00 0.00 34.13 31.48 1l3g s GLU 64 CO 0.37 0.11 0.11 -1.59 -0.49 0.00 0.00 175.26 173.77 1l3g s LYS 65 N -1.08 3.24 -0.01 1.61 0.00 -0.36 -2.47 119.74 120.67 1l3g s LYS 65 Ca -0.04 -0.35 -0.20 0.00 0.00 0.00 0.00 55.97 55.38 1l3g s LYS 65 Cb -0.07 -2.99 -0.05 0.00 0.00 0.00 0.00 37.83 34.71 1l3g s LYS 65 CO 0.00 0.69 0.57 0.54 0.00 0.00 0.00 175.35 177.16 1l3g s VAL 66 N -1.15 4.93 -0.05 1.79 0.11 -1.21 -4.93 120.40 119.89 1l3g s VAL 66 Ca 0.21 1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 60.43 1l3g s VAL 66 Cb -0.12 -3.91 0.02 0.00 -1.53 0.00 0.00 36.38 30.84 1l3g s VAL 66 CO 0.11 0.43 0.11 -1.10 -3.33 0.00 0.00 175.10 171.32 1l3g s GLN 67 N -0.24 0.09 0.00 1.54 1.11 -1.25 -4.57 119.66 116.34 1l3g s GLN 67 Ca 0.30 0.23 0.00 0.00 0.01 0.00 0.00 55.36 55.90 1l3g s GLN 67 Cb -0.18 -0.06 0.00 0.00 -1.01 0.00 0.00 33.01 31.76 1l3g s GLN 67 CO 0.17 -0.09 0.00 0.41 0.01 0.00 0.00 175.29 175.79 1l3g n GLY 68 N 3.59 0.70 0.00 3.09 0.00 -1.26 -3.77 105.19 107.54 1l3g n GLY 68 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.03 0.92 3.27 -0.02 0.00 -1.26 -5.03 105.19 101.05 1l3g n GLY 69 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1l3g n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l3g s PHE 70 N -2.00 3.93 0.00 1.61 0.08 -1.25 -4.39 117.98 115.97 1l3g s PHE 70 Ca 0.00 -2.49 0.00 0.00 0.12 0.00 0.00 56.93 54.56 1l3g s PHE 70 Cb 0.00 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 1l3g s PHE 70 CO 0.00 -0.92 0.00 0.41 -0.10 0.00 0.00 175.22 174.61 1l3g n GLY 71 N 3.20 1.00 0.00 4.36 0.00 -1.26 -3.91 105.19 108.58 1l3g n GLY 71 Ca 0.18 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1l3g n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1l3g n LYS 72 N -1.84 0.55 -0.03 1.61 0.00 -1.26 -1.65 118.16 115.55 1l3g n LYS 72 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 58.31 58.32 1l3g n LYS 72 Cb 0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.47 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 -1.04 0.36 -0.10 5.64 4.01 -1.26 -4.50 117.16 120.26 1l3g n TYR 73 Ca 0.14 0.12 -0.23 0.00 -0.16 0.00 0.00 57.90 57.76 1l3g n TYR 73 Cb 0.08 -0.90 -0.12 0.00 -0.31 0.00 0.00 39.34 38.10 1l3g n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1l3g n GLN 74 N -2.66 0.63 0.00 -0.72 0.00 -0.78 -3.72 117.38 110.12 1l3g n GLN 74 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 57.00 57.19 1l3g n GLN 74 Cb 0.88 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.49 1l3g n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1l3g n GLY 75 N 1.63 1.06 2.46 2.61 0.00 -0.66 -4.17 105.19 108.13 1l3g n GLY 75 Ca -0.41 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 1.63 -1.62 2.61 -1.04 -1.03 -1.22 114.28 113.61 1l3g n THR 76 Ca 0.00 -4.99 -0.31 0.00 -2.04 0.00 0.00 64.05 56.71 1l3g n THR 76 Cb 0.00 -1.73 0.05 0.00 -1.82 0.00 0.00 70.33 66.83 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 -2.43 3.13 0.15 -1.42 -2.14 -1.17 0.57 118.94 115.63 1l3g s TRP 77 Ca 0.41 1.33 -0.02 0.00 2.66 0.00 0.00 56.10 60.47 1l3g s TRP 77 Cb 0.20 -2.92 -0.04 0.00 -3.10 0.00 0.00 33.47 27.62 1l3g s TRP 77 CO -0.07 -1.27 0.11 0.14 -2.66 0.00 0.00 176.95 173.20 1l3g s VAL 78 N -3.10 0.07 -0.28 -0.66 -7.23 5.82 -3.90 120.40 111.13 1l3g s VAL 78 Ca 0.58 -1.85 -0.32 0.00 -1.81 0.00 0.00 61.98 58.58 1l3g s VAL 78 Cb -0.14 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 1l3g s VAL 78 CO 0.55 -0.34 2.18 -2.65 -0.31 0.00 0.00 175.10 174.53 1l3g n PRO 79 N -0.15 1.52 -0.20 4.82 -0.02 -1.26 1.08 135.00 140.80 1l3g n PRO 79 Ca -0.04 0.43 0.23 0.00 -2.02 0.00 0.00 63.50 62.10 1l3g n PRO 79 Cb 0.64 -2.80 0.61 0.00 -0.02 0.00 0.00 33.50 31.93 1l3g n PRO 79 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1l3g h LEU 80 N 13.32 0.21 -2.37 2.45 -0.00 -0.77 1.58 115.31 129.71 1l3g h LEU 80 Ca -0.34 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1l3g h LEU 80 Cb 1.28 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1l3g h LEU 80 CO 0.99 0.08 0.04 -1.13 -0.00 0.00 0.00 178.44 178.42 1l3g h ASN 81 N 0.20 0.00 0.00 0.17 -0.73 -1.87 -1.89 115.58 111.46 1l3g h ASN 81 Ca 0.44 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.52 1l3g h ASN 81 Cb 1.39 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.96 1l3g h ASN 81 CO -0.09 0.00 -1.38 2.30 -0.37 0.00 0.00 177.43 177.89 1l3g n ILE 82 N -3.92 0.33 0.34 2.57 -0.00 0.16 -4.39 119.36 114.45 1l3g n ILE 82 Ca -0.02 -0.23 -0.15 0.00 -0.00 0.00 0.00 62.75 62.35 1l3g n ILE 82 Cb 0.13 -0.66 -0.08 0.00 -0.00 0.00 0.00 39.64 39.04 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1l3g h ALA 83 N 0.33 -0.88 -0.69 -1.28 0.00 0.22 -1.31 119.26 115.65 1l3g h ALA 83 Ca -0.13 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1l3g h ALA 83 Cb 1.19 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1l3g h ALA 83 CO 0.01 -0.88 0.46 1.57 0.00 0.00 0.00 179.25 180.41 1l3g h LYS 84 N -1.12 0.59 0.00 0.00 2.10 -1.56 0.35 116.57 116.92 1l3g h LYS 84 Ca -0.09 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.46 1l3g h LYS 84 Cb 0.71 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1l3g h LYS 84 CO 0.15 0.39 -0.31 0.37 -2.00 0.00 0.00 179.45 178.05 1l3g h GLN 85 N 0.61 0.00 0.14 0.07 4.15 -1.69 1.01 115.11 119.39 1l3g h GLN 85 Ca 0.31 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.42 1l3g h GLN 85 Cb 0.43 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1l3g h GLN 85 CO -0.10 0.31 -1.63 1.25 -1.93 0.00 0.00 178.83 176.73 1l3g h LEU 86 N 0.00 0.47 0.00 -2.39 5.85 0.40 -3.37 115.31 116.27 1l3g h LEU 86 Ca -0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1l3g h LEU 86 Cb 0.69 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1l3g h LEU 86 CO 0.04 1.72 -0.41 0.00 -0.34 0.00 0.00 178.44 179.44 1l3g h ALA 87 N 0.02 0.00 -0.52 1.25 0.00 -0.36 -3.36 119.26 116.29 1l3g h ALA 87 Ca -0.34 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.30 1l3g h ALA 87 Cb 1.92 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 20.11 1l3g h ALA 87 CO 0.10 0.41 0.79 -0.85 0.00 0.00 0.00 179.25 179.71 1l3g n GLU 88 N -4.55 0.01 0.00 0.00 0.28 0.35 -1.10 120.64 115.63 1l3g n GLU 88 Ca -0.06 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.63 1l3g n GLU 88 Cb 0.22 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.35 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 -2.41 0.00 -0.02 3.44 0.00 -1.24 -4.45 118.16 113.48 1l3g n LYS 89 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.48 1l3g n LYS 89 Cb 0.95 -0.02 0.06 0.00 0.00 0.00 0.00 35.03 36.02 1l3g n LYS 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1l3g n PHE 90 N 0.00 0.06 0.00 5.64 7.35 -1.09 -4.62 117.46 124.79 1l3g n PHE 90 Ca 0.00 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1l3g n PHE 90 Cb 0.00 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1l3g n PHE 90 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1l3g n SER 91 N 0.61 0.00 -0.05 -2.13 7.64 -0.26 -4.74 113.62 114.70 1l3g n SER 91 Ca 0.07 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.99 1l3g n SER 91 Cb 0.30 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.55 1l3g n SER 91 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1l3g n VAL 92 N 0.00 1.22 -0.13 0.44 3.14 -1.24 -4.71 118.33 117.05 1l3g n VAL 92 Ca 0.00 -1.35 -0.03 0.00 -2.96 0.00 0.00 64.34 59.99 1l3g n VAL 92 Cb 0.00 0.27 -0.03 0.00 -1.06 0.00 0.00 33.84 33.02 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 -0.79 -0.13 -0.29 1.45 4.11 -1.23 0.10 117.16 120.38 1l3g n TYR 93 Ca 0.06 0.37 -0.12 0.00 -0.00 0.00 0.00 57.90 58.21 1l3g n TYR 93 Cb 0.42 -0.44 -0.09 0.00 -0.00 0.00 0.00 39.34 39.23 1l3g n TYR 93 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 1l3g h ASP 94 N 0.00 -2.00 -0.90 9.48 2.03 -1.89 0.42 116.42 123.56 1l3g h ASP 94 Ca 0.05 0.29 0.19 0.00 -0.73 0.00 0.00 57.03 56.83 1l3g h ASP 94 Cb 0.12 0.86 -0.11 0.00 -0.83 0.00 0.00 39.33 39.38 1l3g h ASP 94 CO -0.28 -0.31 0.46 -0.61 -1.03 0.00 0.00 179.24 177.47 1l3g h GLN 95 N -0.18 0.53 -1.70 4.15 4.15 0.33 0.13 115.11 122.52 1l3g h GLN 95 Ca 0.13 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1l3g h GLN 95 Cb 0.50 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1l3g h GLN 95 CO -0.79 0.35 0.01 1.28 -1.93 0.00 0.00 178.83 177.76 1l3g n LEU 96 N -4.93 4.71 -0.01 -2.39 4.77 0.15 -4.40 117.00 114.90 1l3g n LEU 96 Ca 0.21 -2.17 -0.10 0.00 -0.03 0.00 0.00 56.01 53.91 1l3g n LEU 96 Cb 0.57 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1l3g n LEU 96 CO 0.17 0.87 0.84 0.07 -1.33 0.00 0.00 177.39 178.01 1l3g h LYS 97 N 0.73 -0.01 0.69 3.23 2.10 -0.59 -1.13 116.57 121.59 1l3g h LYS 97 Ca 0.01 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1l3g h LYS 97 Cb 1.01 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.35 1l3g h LYS 97 CO 0.02 -0.01 -0.33 -1.00 -2.00 0.00 0.00 179.45 176.13 1l3g h PRO 98 N -0.01 -0.89 -1.14 0.07 0.13 -1.77 0.40 132.00 128.79 1l3g h PRO 98 Ca 0.06 0.06 0.35 0.00 -0.87 0.00 0.00 66.00 65.60 1l3g h PRO 98 Cb 0.11 0.20 -0.12 0.00 0.13 0.00 0.00 31.00 31.32 1l3g h PRO 98 CO -0.13 -0.57 0.72 1.25 -0.23 0.00 0.00 178.00 179.03 1l3g h LEU 99 N -1.19 0.38 0.00 1.56 7.12 -1.81 1.06 115.31 122.43 1l3g h LEU 99 Ca -0.09 0.13 -0.07 0.00 0.13 0.00 0.00 57.88 57.98 1l3g h LEU 99 Cb 0.73 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1l3g h LEU 99 CO 0.15 -0.07 -0.86 -0.26 -0.13 0.00 0.00 178.44 177.28 1l3g h PHE 100 N 0.26 0.00 -0.17 1.25 -1.00 -1.04 -3.32 116.94 112.91 1l3g h PHE 100 Ca 0.72 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 61.38 1l3g h PHE 100 Cb 1.96 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.51 1l3g h PHE 100 CO -0.01 0.25 -0.37 0.38 -1.61 0.00 0.00 178.31 176.96 1l3g h ASP 101 N 0.00 0.39 -3.04 2.17 2.03 0.56 -3.48 116.42 115.05 1l3g h ASP 101 Ca -0.05 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1l3g h ASP 101 Cb 1.24 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1l3g h ASP 101 CO 0.02 0.74 0.00 0.49 -1.03 0.00 0.00 179.24 179.46 1l3g n PHE 102 N -4.05 0.00 -0.39 4.15 3.72 -0.62 -5.02 117.46 115.26 1l3g n PHE 102 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1l3g n PHE 102 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1l3g n PHE 102 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1l3g n THR 103 N -1.76 0.38 -4.09 4.37 5.66 -1.26 -4.71 114.28 112.87 1l3g n THR 103 Ca 0.00 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.28 1l3g n THR 103 Cb 0.00 0.95 -0.05 0.00 -1.55 0.00 0.00 70.33 69.68 1l3g n THR 103 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1l3g s GLN 104 N -0.38 2.63 -0.46 1.09 0.74 -1.26 -4.07 119.66 117.94 1l3g s GLN 104 Ca 0.00 -1.28 -0.20 0.00 0.05 0.00 0.00 55.36 53.92 1l3g s GLN 104 Cb 0.00 -2.38 0.03 0.00 1.10 0.00 0.00 33.01 31.77 1l3g s GLN 104 CO 0.00 0.27 0.64 0.95 -0.55 0.00 0.00 175.29 176.60 1l3g s THR 105 N -2.27 4.84 -0.48 -0.34 -4.23 -1.26 -4.90 115.64 106.99 1l3g s THR 105 Ca 0.35 -0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1l3g s THR 105 Cb -0.06 -4.24 0.41 0.00 1.34 0.00 0.00 72.50 69.95 1l3g s THR 105 CO 0.24 -0.67 1.27 -0.90 -0.54 0.00 0.00 174.62 174.01 1l3g n ASP 106 N 6.25 3.48 0.00 3.99 5.68 -1.26 -4.79 116.55 129.91 1l3g n ASP 106 Ca -0.03 -2.61 0.00 0.00 -0.50 0.00 0.00 54.79 51.65 1l3g n ASP 106 Cb 0.47 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1l3g n GLY 107 N 0.11 1.65 3.59 6.12 0.00 -1.26 -5.05 105.19 110.34 1l3g n GLY 107 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 1.81 0.42 1.61 0.15 -1.26 -4.91 113.70 109.53 1l3g s SER 108 Ca 0.00 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 57.87 1l3g s SER 108 Cb 0.00 -2.05 -0.08 0.00 -1.71 0.00 0.00 66.02 62.18 1l3g s SER 108 CO 0.00 -3.66 -0.61 0.00 1.20 0.00 0.00 173.24 170.18 1l3g n ALA 109 N -4.54 -1.90 -2.89 5.45 0.00 -1.26 -4.61 120.51 110.77 1l3g n ALA 109 Ca 0.04 -0.54 -0.44 0.00 0.00 0.00 0.00 53.44 52.50 1l3g n ALA 109 Cb 0.56 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 1l3g n ALA 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1l3g s SER 110 N -0.46 6.66 1.16 0.00 1.04 -1.26 -4.96 113.70 115.88 1l3g s SER 110 Ca 0.14 -2.08 -0.17 0.00 0.48 0.00 0.00 55.95 54.32 1l3g s SER 110 Cb 0.04 -2.42 0.26 0.00 0.10 0.00 0.00 66.02 64.01 1l3g s SER 110 CO 0.26 -1.08 1.09 -2.16 0.98 0.00 0.00 173.24 172.33 1l3g s PRO 111 N 2.82 -0.85 0.97 4.02 0.04 -1.26 -4.98 135.00 135.75 1l3g s PRO 111 Ca 0.35 0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.44 1l3g s PRO 111 Cb -0.04 -1.62 0.16 0.00 0.04 0.00 0.00 34.50 33.04 1l3g s PRO 111 CO -0.08 -3.51 1.03 -2.30 0.04 0.00 0.00 177.00 172.18 1l3g n PRO 112 N -4.66 -0.80 -0.11 0.56 -0.02 -1.26 -4.71 135.00 124.01 1l3g n PRO 112 Ca 0.10 -0.17 -0.03 0.00 -2.02 0.00 0.00 63.50 61.38 1l3g n PRO 112 Cb 0.59 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1l3g n PRO 112 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1l3g n PRO 113 N -4.09 0.29 -2.11 0.52 -0.04 -1.26 -4.72 135.00 123.59 1l3g n PRO 113 Ca 0.10 -0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 62.64 1l3g n PRO 113 Cb 0.53 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l3g s ALA 114 N 4.21 3.33 0.56 0.55 0.00 -1.09 1.41 121.76 130.72 1l3g s ALA 114 Ca 0.06 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 1l3g s ALA 114 Cb 0.02 -3.83 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1l3g s ALA 114 CO -0.00 -1.85 1.21 -2.30 0.00 0.00 0.00 175.76 172.81 1l3g n PRO 115 N 7.56 1.38 -2.18 0.00 -0.02 -1.24 -4.46 135.00 136.04 1l3g n PRO 115 Ca 0.18 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 1l3g n PRO 115 Cb 0.45 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.82 3.73 0.15 -0.52 2.20 -1.26 -4.54 119.74 116.68 1l3g s LYS 116 Ca 0.73 0.76 0.07 0.00 -0.36 0.00 0.00 55.97 57.17 1l3g s LYS 116 Cb -0.43 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1l3g s LYS 116 CO 0.48 -0.40 -0.02 -1.01 -0.36 0.00 0.00 175.35 174.04 1l3g s HIS 117 N -2.90 2.85 0.28 4.03 3.76 -1.26 -5.05 115.29 117.00 1l3g s HIS 117 Ca 0.56 -0.12 -0.29 0.00 -0.15 0.00 0.00 55.06 55.06 1l3g s HIS 117 Cb -0.11 -1.41 -0.14 0.00 1.11 0.00 0.00 32.58 32.03 1l3g s HIS 117 CO 0.44 0.50 1.12 1.58 -0.85 0.00 0.00 174.74 177.52 1l3g n HIS 118 N 0.14 1.55 -1.69 1.40 -0.00 -1.26 -4.90 115.22 110.46 1l3g n HIS 118 Ca -0.10 0.65 -0.34 0.00 0.46 0.00 0.00 57.72 58.38 1l3g n HIS 118 Cb 0.54 -2.30 0.06 0.00 -0.12 0.00 0.00 29.99 28.17 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1l3g s HIS 119 N -0.89 2.33 0.76 1.57 2.46 -1.26 -4.93 115.29 115.33 1l3g s HIS 119 Ca 0.60 1.57 -0.20 0.00 0.47 0.00 0.00 55.06 57.50 1l3g s HIS 119 Cb -0.69 -3.36 -0.15 0.00 -0.13 0.00 0.00 32.58 28.25 1l3g s HIS 119 CO 0.59 -2.18 -1.13 0.00 -2.47 0.00 0.00 174.74 169.55 1l3g n ALA 120 N -2.34 -4.48 -2.53 1.58 0.00 -1.26 -4.81 120.51 106.67 1l3g n ALA 120 Ca 0.12 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1l3g n ALA 120 Cb 0.51 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.76 6.26 -0.61 0.00 0.01 -1.26 -5.01 113.70 112.33 1l3g s SER 121 Ca 0.28 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 1l3g s SER 121 Cb 0.06 -2.25 0.16 0.00 0.21 0.00 0.00 66.02 64.20 1l3g s SER 121 CO 0.52 -0.51 0.41 -0.54 0.41 0.00 0.00 173.24 173.53 1l3g s LYS 122 N 2.30 2.47 0.36 12.44 1.02 -1.26 -5.08 119.74 131.99 1l3g s LYS 122 Ca 0.16 -2.56 -0.20 0.00 0.02 0.00 0.00 55.97 53.39 1l3g s LYS 122 Cb -0.16 -3.66 -0.10 0.00 -0.52 0.00 0.00 37.83 33.39 1l3g s LYS 122 CO 0.14 -1.16 0.87 0.08 -0.92 0.00 0.00 175.35 174.35 1l3g s VAL 123 N -0.13 4.45 -1.91 3.17 1.01 -1.26 -5.28 120.40 120.45 1l3g s VAL 123 Ca 0.17 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1l3g s VAL 123 Cb -0.21 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1l3g s VAL 123 CO -0.03 -0.14 0.48 0.47 0.00 0.00 0.00 175.10 175.88