#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 1.71 -3.12 6.43 3.02 -1.26 -4.52 115.26 117.53 1l3g n ASN 3 Ca 0.00 -1.49 -0.17 0.00 -0.03 0.00 0.00 54.58 52.89 1l3g n ASN 3 Cb 0.00 0.04 0.16 0.00 -0.61 0.00 0.00 39.78 39.37 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l3g n GLN 4 N 0.25 -3.30 -3.70 3.52 6.02 -1.26 -4.12 117.38 114.79 1l3g n GLN 4 Ca 0.17 -0.86 -0.37 0.00 -0.01 0.00 0.00 57.00 55.93 1l3g n GLN 4 Cb 0.40 -1.03 -0.09 0.00 1.02 0.00 0.00 30.24 30.54 1l3g n GLN 4 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1l3g s ILE 5 N -1.74 3.85 1.07 5.09 2.07 -1.26 -4.48 121.20 125.81 1l3g s ILE 5 Ca 0.38 -3.10 -0.12 0.00 -1.41 0.00 0.00 60.65 56.41 1l3g s ILE 5 Cb -0.06 -3.49 0.23 0.00 0.13 0.00 0.00 42.46 39.28 1l3g s ILE 5 CO 0.31 -0.91 1.07 -0.31 -1.91 0.00 0.00 174.94 173.19 1l3g s TYR 6 N -0.27 1.42 0.11 3.50 1.51 -0.88 -4.77 117.35 117.97 1l3g s TYR 6 Ca 0.19 1.45 0.10 0.00 -1.01 0.00 0.00 57.07 57.79 1l3g s TYR 6 Cb -0.18 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.44 1l3g s TYR 6 CO -0.05 -3.50 -0.22 -1.12 -1.11 0.00 0.00 175.55 169.56 1l3g s SER 7 N -2.54 3.61 0.11 2.29 0.01 -1.26 0.05 113.70 115.98 1l3g s SER 7 Ca 0.68 -0.63 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 1l3g s SER 7 Cb -0.24 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.60 1l3g s SER 7 CO 0.62 0.19 0.31 0.00 0.41 0.00 0.00 173.24 174.77 1l3g s ALA 8 N -1.07 -0.56 -0.08 1.44 0.00 7.81 -4.51 121.76 124.79 1l3g s ALA 8 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 1l3g s ALA 8 Cb -0.10 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.68 1l3g s ALA 8 CO 0.08 -0.59 0.15 0.50 0.00 0.00 0.00 175.76 175.90 1l3g s ARG 9 N -3.84 0.05 0.19 0.00 3.52 -1.24 1.42 118.95 119.06 1l3g s ARG 9 Ca 0.05 0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 56.07 1l3g s ARG 9 Cb 0.03 -0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.16 1l3g s ARG 9 CO -0.10 -0.25 0.24 0.71 -0.81 0.00 0.00 175.30 175.08 1l3g s TYR 10 N 1.84 0.72 -1.46 5.12 2.02 0.35 -4.79 117.35 121.16 1l3g s TYR 10 Ca -0.02 -1.04 -0.09 0.00 -0.37 0.00 0.00 57.07 55.55 1l3g s TYR 10 Cb -0.12 -0.24 0.04 0.00 -0.40 0.00 0.00 41.96 41.24 1l3g s TYR 10 CO -0.06 -0.72 0.88 0.45 -1.57 0.00 0.00 175.55 174.53 1l3g n SER 11 N -0.25 -5.57 0.00 2.29 2.88 -1.26 -0.37 113.62 111.34 1l3g n SER 11 Ca -0.03 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1l3g n SER 11 Cb 0.64 -4.45 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 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 -1.68 1.27 3.18 0.46 0.00 -1.26 -4.94 105.19 102.21 1l3g n GLY 12 Ca -0.02 0.00 -0.29 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 -2.42 1.75 0.43 1.61 1.01 0.50 -5.12 120.40 118.16 1l3g s VAL 13 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1l3g s VAL 13 Cb 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 36.38 34.76 1l3g s VAL 13 CO 0.00 0.49 0.94 -0.62 0.00 0.00 0.00 175.10 175.91 1l3g s ASP 14 N 0.17 6.90 0.33 3.32 -1.08 -1.26 0.13 116.67 125.17 1l3g s ASP 14 Ca -0.10 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.58 1l3g s ASP 14 Cb -0.15 -2.52 -0.01 0.00 -1.46 0.00 0.00 42.92 38.78 1l3g s ASP 14 CO 0.05 -0.37 0.40 0.68 0.52 0.00 0.00 175.17 176.45 1l3g s VAL 15 N -2.21 0.00 0.12 1.11 -7.23 14.21 -2.25 120.40 124.14 1l3g s VAL 15 Ca 0.61 -1.73 0.10 0.00 -1.81 0.00 0.00 61.98 59.15 1l3g s VAL 15 Cb -0.09 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1l3g s VAL 15 CO 0.15 0.00 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.40 1l3g s TYR 16 N -3.22 2.41 -0.17 2.82 1.51 -1.22 1.08 117.35 120.56 1l3g s TYR 16 Ca 0.34 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1l3g s TYR 16 Cb 0.01 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1l3g s TYR 16 CO 0.22 0.34 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.71 1l3g s GLU 17 N -2.01 1.73 0.03 -0.62 2.02 0.11 -2.26 118.70 117.69 1l3g s GLU 17 Ca 0.15 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.59 1l3g s GLU 17 Cb -0.10 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 1l3g s GLU 17 CO 0.07 -0.40 -0.17 -0.06 0.02 0.00 0.00 175.26 174.73 1l3g s PHE 18 N 1.54 1.48 0.19 1.61 0.08 0.37 -2.08 117.98 121.16 1l3g s PHE 18 Ca 0.01 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 1l3g s PHE 18 Cb -0.15 -0.89 -0.08 0.00 -0.57 0.00 0.00 43.02 41.33 1l3g s PHE 18 CO -0.08 0.04 0.99 0.42 -0.10 0.00 0.00 175.22 176.49 1l3g s ILE 19 N -0.71 4.14 0.00 0.64 -1.09 -1.14 0.88 121.20 123.92 1l3g s ILE 19 Ca 0.05 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.41 1l3g s ILE 19 Cb -0.08 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1l3g s ILE 19 CO 0.01 0.38 0.00 1.57 -1.23 0.00 0.00 174.94 175.67 1l3g n HIS 20 N 2.09 0.00 -0.04 3.97 -0.00 4.28 -4.81 115.22 120.72 1l3g n HIS 20 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1l3g n HIS 20 Cb 0.47 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.66 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1l3g h SER 21 N 0.00 0.61 -0.55 0.26 0.02 -1.91 -1.83 113.55 110.15 1l3g h SER 21 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1l3g h SER 21 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1l3g h SER 21 CO 0.00 0.76 0.00 1.07 -1.14 0.00 0.00 176.83 177.52 1l3g n THR 22 N -4.19 1.11 0.00 -2.27 5.66 -1.26 -4.92 114.28 108.41 1l3g n THR 22 Ca 0.01 -0.85 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1l3g n THR 22 Cb 0.34 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 1.21 1.35 3.73 1.09 0.00 -0.69 -4.89 105.19 106.99 1l3g n GLY 23 Ca 0.20 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 7.54 -0.15 1.61 0.15 -1.25 0.80 113.70 118.40 1l3g s SER 24 Ca 0.00 1.84 -0.00 0.00 0.70 0.00 0.00 55.95 58.49 1l3g s SER 24 Cb 0.00 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1l3g s SER 24 CO 0.00 -0.00 -0.14 -0.63 1.20 0.00 0.00 173.24 173.67 1l3g s ILE 25 N -0.34 2.81 -0.13 6.45 -1.09 5.19 -4.26 121.20 129.84 1l3g s ILE 25 Ca 0.45 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1l3g s ILE 25 Cb -0.24 -2.19 0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1l3g s ILE 25 CO 0.30 0.51 -0.20 -0.04 -1.23 0.00 0.00 174.94 174.28 1l3g s MET 26 N 0.72 2.80 0.39 2.79 -1.94 -1.20 0.14 119.30 123.00 1l3g s MET 26 Ca -0.06 -0.78 0.08 0.00 -1.71 0.00 0.00 55.69 53.21 1l3g s MET 26 Cb -0.15 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 1l3g s MET 26 CO 0.01 0.00 0.33 -1.59 -0.01 0.00 0.00 175.02 173.77 1l3g s LYS 27 N 0.79 2.57 -0.04 2.03 -2.85 -0.96 -4.39 119.74 116.89 1l3g s LYS 27 Ca -0.09 -1.48 -0.22 0.00 -1.00 0.00 0.00 55.97 53.19 1l3g s LYS 27 Cb -0.16 -2.38 -0.05 0.00 -2.06 0.00 0.00 37.83 33.19 1l3g s LYS 27 CO -0.00 -0.09 0.63 0.50 0.10 0.00 0.00 175.35 176.49 1l3g s ARG 28 N -4.06 4.38 0.32 1.78 3.52 -1.21 -3.49 118.95 120.19 1l3g s ARG 28 Ca 0.45 0.77 0.02 0.00 -0.13 0.00 0.00 55.73 56.84 1l3g s ARG 28 Cb -0.04 -3.40 0.53 0.00 -1.56 0.00 0.00 34.95 30.48 1l3g s ARG 28 CO 0.27 0.21 1.86 -0.22 -0.81 0.00 0.00 175.30 176.61 1l3g h LYS 29 N 6.23 0.65 0.61 5.12 3.11 -1.80 10.33 116.57 140.82 1l3g h LYS 29 Ca -0.43 -0.13 -0.03 0.00 -2.81 0.00 0.00 60.65 57.25 1l3g h LYS 29 Cb 1.20 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 32.33 1l3g h LYS 29 CO 0.73 0.63 -0.29 0.87 -2.81 0.00 0.00 179.45 178.57 1l3g h LYS 30 N 0.63 -0.79 -0.11 1.90 1.79 -1.93 -3.31 116.57 114.75 1l3g h LYS 30 Ca 0.14 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1l3g h LYS 30 Cb 0.30 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1l3g h LYS 30 CO 0.00 -0.51 0.00 -3.47 -1.08 0.00 0.00 179.45 174.39 1l3g n ASP 31 N -5.43 2.14 -3.85 0.86 -0.08 -1.17 -5.02 116.55 104.00 1l3g n ASP 31 Ca -0.13 -1.78 -0.32 0.00 -1.51 0.00 0.00 54.79 51.06 1l3g n ASP 31 Cb 0.34 -0.08 0.01 0.00 2.34 0.00 0.00 41.12 43.74 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 0.05 -4.76 -4.90 1.67 9.92 3.26 -4.02 116.55 117.77 1l3g n ASP 32 Ca 0.05 -1.05 -0.28 0.00 -0.53 0.00 0.00 54.79 52.98 1l3g n ASP 32 Cb 0.27 -1.92 -0.01 0.00 -0.64 0.00 0.00 41.12 38.83 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 -3.20 3.55 0.06 1.24 0.52 -1.22 0.61 118.94 120.51 1l3g s TRP 33 Ca 0.20 0.88 0.08 0.00 0.02 0.00 0.00 56.10 57.27 1l3g s TRP 33 Cb -0.10 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 1l3g s TRP 33 CO 0.92 -0.27 -0.20 0.54 0.02 0.00 0.00 176.95 177.95 1l3g s VAL 34 N -2.71 2.65 -0.57 4.03 0.11 7.71 -3.31 120.40 128.32 1l3g s VAL 34 Ca 0.48 -1.30 -0.26 0.00 -2.93 0.00 0.00 61.98 57.97 1l3g s VAL 34 Cb -0.10 -2.12 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1l3g s VAL 34 CO 0.43 0.29 2.13 0.21 -3.33 0.00 0.00 175.10 174.83 1l3g s ASN 35 N -1.54 4.85 0.44 3.54 3.84 -1.25 1.20 114.94 126.01 1l3g s ASN 35 Ca 0.15 0.65 0.24 0.00 0.21 0.00 0.00 52.86 54.11 1l3g s ASN 35 Cb -0.10 -2.52 0.82 0.00 -0.55 0.00 0.00 41.25 38.90 1l3g s ASN 35 CO 0.05 -2.65 1.00 0.00 -2.79 0.00 0.00 177.10 172.71 1l3g n ALA 36 N 14.38 0.90 -0.05 1.71 0.00 3.53 0.14 120.51 141.12 1l3g n ALA 36 Ca 0.29 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 1l3g n ALA 36 Cb 0.53 -0.54 -0.03 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 1.06 0.00 0.00 2.02 -1.84 6.00 112.91 120.16 1l3g h THR 37 Ca 0.45 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 1l3g h THR 37 Cb 2.32 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1l3g h THR 37 CO -0.00 0.06 -0.05 -0.74 0.37 0.00 0.00 175.52 175.15 1l3g h HIS 38 N 0.28 0.00 0.00 3.16 -0.00 0.94 5.65 115.15 125.18 1l3g h HIS 38 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.28 1l3g h HIS 38 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1l3g h HIS 38 CO -0.06 0.05 -1.05 -0.89 -0.00 0.00 0.00 177.93 175.98 1l3g n ILE 39 N -4.35 1.50 -0.09 6.26 -0.00 -0.32 -3.50 119.36 118.85 1l3g n ILE 39 Ca -0.03 0.04 -0.22 0.00 -0.00 0.00 0.00 62.75 62.54 1l3g n ILE 39 Cb 0.13 -2.15 -0.12 0.00 -0.00 0.00 0.00 39.64 37.51 1l3g n ILE 39 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1l3g n LEU 40 N -4.49 1.99 0.25 1.39 7.99 1.93 -3.59 117.00 122.48 1l3g n LEU 40 Ca -0.25 0.38 0.12 0.00 -0.01 0.00 0.00 56.01 56.25 1l3g n LEU 40 Cb 0.55 -0.98 0.67 0.00 -0.11 0.00 0.00 43.42 43.55 1l3g n LEU 40 CO 0.16 0.39 0.94 0.50 -1.51 0.00 0.00 177.39 177.86 1l3g h LYS 41 N -0.83 0.00 0.00 3.23 3.11 0.42 0.44 116.57 122.94 1l3g h LYS 41 Ca -0.38 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.42 1l3g h LYS 41 Cb 1.44 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.66 1l3g h LYS 41 CO -0.18 0.15 -0.16 0.00 -2.81 0.00 0.00 179.45 176.45 1l3g h ALA 42 N 1.85 0.93 -0.02 5.00 0.00 1.03 0.51 119.26 128.56 1l3g h ALA 42 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1l3g h ALA 42 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1l3g h ALA 42 CO 0.02 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.43 1l3g n ALA 43 N -2.15 2.54 -1.34 0.00 0.00 -0.61 -4.58 120.51 114.37 1l3g n ALA 43 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1l3g n ALA 43 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1l3g n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1l3g n ASN 44 N 0.65 0.00 -1.43 0.00 5.03 0.05 -5.07 115.26 114.49 1l3g n ASN 44 Ca 0.08 -1.04 0.15 0.00 0.87 0.00 0.00 54.58 54.64 1l3g n ASN 44 Cb 0.33 -0.01 -0.09 0.00 -1.02 0.00 0.00 39.78 39.00 1l3g n ASN 44 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1l3g n PHE 45 N 0.00 -3.85 -2.86 3.10 7.35 0.18 -4.58 117.46 116.80 1l3g n PHE 45 Ca 0.00 2.13 -0.43 0.00 -0.76 0.00 0.00 57.45 58.39 1l3g n PHE 45 Cb 0.51 -3.48 -0.04 0.00 0.35 0.00 0.00 39.48 36.82 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1l3g s ALA 46 N -4.41 3.12 0.00 3.13 0.00 -1.26 -4.18 121.76 118.15 1l3g s ALA 46 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1l3g s ALA 46 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1l3g s ALA 46 CO 0.00 -2.74 0.00 1.17 0.00 0.00 0.00 175.76 174.19 1l3g n LYS 47 N 7.68 0.00 0.14 0.00 4.81 -1.26 -4.89 118.16 124.64 1l3g n LYS 47 Ca -0.03 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.60 1l3g n LYS 47 Cb 0.46 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 1.17 0.00 0.00 177.40 178.57 1l3g h ALA 48 N 1.29 1.98 0.09 3.14 0.00 -1.97 0.36 119.26 124.15 1l3g h ALA 48 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1l3g h ALA 48 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1l3g h ALA 48 CO 0.00 -0.66 -0.04 0.87 0.00 0.00 0.00 179.25 179.42 1l3g h LYS 49 N 0.00 -0.12 0.00 0.00 6.56 -1.92 -2.86 116.57 118.23 1l3g h LYS 49 Ca 0.16 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.75 1l3g h LYS 49 Cb 1.12 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1l3g h LYS 49 CO -0.00 0.28 -0.06 0.00 -2.06 0.00 0.00 179.45 177.61 1l3g h ARG 50 N -0.55 0.00 -0.43 3.15 2.47 -0.52 0.40 114.38 118.91 1l3g h ARG 50 Ca -0.01 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 1l3g h ARG 50 Cb 0.45 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1l3g h ARG 50 CO 0.02 0.06 -0.05 1.15 0.56 0.00 0.00 179.97 181.70 1l3g h THR 51 N 0.00 1.24 0.00 2.04 2.02 -0.98 -1.51 112.91 115.73 1l3g h THR 51 Ca -0.00 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1l3g h THR 51 Cb 0.12 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1l3g h THR 51 CO 0.01 0.36 -0.66 0.54 0.37 0.00 0.00 175.52 176.14 1l3g n ARG 52 N -4.20 0.43 -0.30 6.66 5.12 -0.54 -3.09 116.66 120.73 1l3g n ARG 52 Ca 0.02 0.34 0.13 0.00 -1.93 0.00 0.00 57.85 56.42 1l3g n ARG 52 Cb 0.32 -1.45 0.30 0.00 -1.16 0.00 0.00 32.46 30.47 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1l3g h ILE 53 N -0.88 0.34 0.48 0.55 2.04 -0.38 5.76 117.51 125.42 1l3g h ILE 53 Ca 0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1l3g h ILE 53 Cb 0.66 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1l3g h ILE 53 CO 0.00 0.04 -0.23 -0.07 0.00 0.00 0.00 178.15 177.89 1l3g h LEU 54 N 0.24 -0.55 -0.01 1.44 3.38 -1.41 1.17 115.31 119.56 1l3g h LEU 54 Ca 0.56 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.47 1l3g h LEU 54 Cb 1.13 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1l3g h LEU 54 CO -0.64 -0.15 -0.00 1.05 0.09 0.00 0.00 178.44 178.80 1l3g h GLU 55 N -1.06 0.02 -0.20 1.13 -0.00 -1.13 6.20 114.58 119.55 1l3g h GLU 55 Ca -0.07 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.36 59.17 1l3g h GLU 55 Cb 0.58 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.32 1l3g h GLU 55 CO 0.11 0.33 -0.39 -0.22 -0.00 0.00 0.00 179.01 178.84 1l3g h LYS 56 N -0.28 0.45 0.12 1.06 3.11 1.16 1.04 116.57 123.22 1l3g h LYS 56 Ca 0.00 -0.22 -0.37 0.00 -2.81 0.00 0.00 60.65 57.26 1l3g h LYS 56 Cb 0.32 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 1l3g h LYS 56 CO 0.00 0.77 -2.02 -1.91 -2.81 0.00 0.00 179.45 173.48 1l3g n GLU 57 N -4.04 0.75 -0.12 1.90 2.13 0.40 -4.39 120.64 117.27 1l3g n GLU 57 Ca -0.01 0.26 -0.27 0.00 0.66 0.00 0.00 57.16 57.80 1l3g n GLU 57 Cb 0.49 -1.70 -0.11 0.00 0.27 0.00 0.00 31.44 30.40 1l3g n GLU 57 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1l3g n VAL 58 N -3.49 1.54 -0.23 6.31 0.31 1.97 -2.95 118.33 121.79 1l3g n VAL 58 Ca -0.33 -0.34 0.11 0.00 -0.01 0.00 0.00 64.34 63.77 1l3g n VAL 58 Cb 1.04 -1.86 0.22 0.00 -0.91 0.00 0.00 33.84 32.32 1l3g n VAL 58 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1l3g n LEU 59 N -4.15 -0.05 -0.01 7.52 0.00 0.36 0.21 117.00 120.87 1l3g n LEU 59 Ca -0.48 1.15 -0.06 0.00 0.00 0.00 0.00 56.01 56.62 1l3g n LEU 59 Cb 0.86 -0.43 -0.13 0.00 0.00 0.00 0.00 43.42 43.72 1l3g n LEU 59 CO 0.11 -1.17 -0.50 1.17 0.00 0.00 0.00 177.39 176.99 1l3g n LYS 60 N -4.87 0.63 -2.00 1.96 3.00 -1.13 -3.52 118.16 112.23 1l3g n LYS 60 Ca 0.17 0.26 -0.37 0.00 -0.00 0.00 0.00 58.31 58.37 1l3g n LYS 60 Cb 0.55 -1.78 -0.00 0.00 0.00 0.00 0.00 35.03 33.80 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1l3g n GLU 61 N -2.98 3.76 -2.63 1.64 -0.58 0.56 -4.71 120.64 115.69 1l3g n GLU 61 Ca -0.16 -3.48 -0.07 0.00 -0.42 0.00 0.00 57.16 53.03 1l3g n GLU 61 Cb 1.00 -2.37 0.04 0.00 -0.57 0.00 0.00 31.44 29.54 1l3g n GLU 61 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1l3g n THR 62 N 0.49 -2.45 -4.26 2.62 -2.24 -0.77 -4.50 114.28 103.16 1l3g n THR 62 Ca 0.53 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.77 1l3g n THR 62 Cb 0.33 -3.49 -0.13 0.00 -2.10 0.00 0.00 70.33 64.94 1l3g n THR 62 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1l3g s HIS 63 N -3.15 3.01 0.04 4.78 5.04 0.31 -3.57 115.29 121.74 1l3g s HIS 63 Ca 0.02 -0.44 -0.06 0.00 -1.54 0.00 0.00 55.06 53.05 1l3g s HIS 63 Cb -0.01 -2.01 -0.01 0.00 0.04 0.00 0.00 32.58 30.59 1l3g s HIS 63 CO 0.31 -0.17 0.10 -1.21 -2.34 0.00 0.00 174.74 171.43 1l3g s GLU 64 N 0.69 0.58 -0.24 2.88 0.41 -1.25 -4.40 118.70 117.37 1l3g s GLU 64 Ca -0.02 -0.73 -0.16 0.00 -0.41 0.00 0.00 54.97 53.66 1l3g s GLU 64 Cb -0.14 0.23 -0.04 0.00 -1.78 0.00 0.00 34.13 32.40 1l3g s GLU 64 CO 0.02 -0.15 0.40 0.21 -0.49 0.00 0.00 175.26 175.26 1l3g s LYS 65 N -2.53 4.09 -0.12 1.61 2.20 -1.22 -2.35 119.74 121.42 1l3g s LYS 65 Ca -0.06 0.14 -0.21 0.00 -0.36 0.00 0.00 55.97 55.48 1l3g s LYS 65 Cb -0.02 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1l3g s LYS 65 CO -0.04 -0.19 0.60 0.14 -0.36 0.00 0.00 175.35 175.49 1l3g s VAL 66 N 1.79 5.10 0.06 4.02 -7.23 -1.21 -4.99 120.40 117.94 1l3g s VAL 66 Ca 0.17 1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 61.49 1l3g s VAL 66 Cb -0.15 -3.93 -0.02 0.00 0.56 0.00 0.00 36.38 32.84 1l3g s VAL 66 CO 0.09 0.25 0.06 -1.10 -0.31 0.00 0.00 175.10 174.08 1l3g s GLN 67 N 1.00 0.65 0.00 4.82 -0.21 -1.26 -4.34 119.66 120.33 1l3g s GLN 67 Ca 0.31 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1l3g s GLN 67 Cb -0.16 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1l3g s GLN 67 CO 0.13 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 1l3g n GLY 68 N 0.30 1.55 0.00 3.09 0.00 -1.26 -3.45 105.19 105.43 1l3g n GLY 68 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.92 3.22 -0.02 0.00 -1.26 -5.02 105.19 101.02 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 1.97 0.00 0.00 0.00 173.32 175.29 1l3g n PHE 70 N -1.87 4.56 -0.64 1.61 1.16 -1.22 -4.44 117.46 116.61 1l3g n PHE 70 Ca 0.00 -3.73 0.00 0.00 -1.87 0.00 0.00 57.45 51.85 1l3g n PHE 70 Cb 0.00 -1.51 0.00 0.00 -1.61 0.00 0.00 39.48 36.36 1l3g n PHE 70 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1l3g n GLY 71 N 2.33 0.91 0.00 4.97 0.00 -1.26 -4.38 105.19 107.76 1l3g n GLY 71 Ca 0.24 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.91 0.01 0.10 1.61 0.00 -1.26 -1.56 118.16 115.16 1l3g n LYS 72 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 58.31 58.50 1l3g n LYS 72 Cb 0.09 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.60 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 -1.90 -3.36 116.97 117.43 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 0.31 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.00 1l3g h TYR 73 CO 0.00 0.59 -1.99 0.00 -1.05 0.00 0.00 178.16 175.71 1l3g n GLN 74 N -3.15 0.63 0.00 4.88 -0.00 -0.82 -4.41 117.38 114.51 1l3g n GLN 74 Ca -0.01 0.34 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 1l3g n GLN 74 Cb 0.79 -1.63 0.00 0.00 -0.00 0.00 0.00 30.24 29.40 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 1.67 1.49 2.98 2.61 0.00 -0.60 -4.12 105.19 109.21 1l3g n GLY 75 Ca -0.40 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1l3g n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1l3g n THR 76 N 0.00 5.01 -1.63 2.61 -2.24 -0.99 -3.30 114.28 113.74 1l3g n THR 76 Ca 0.00 -5.83 -0.31 0.00 -2.27 0.00 0.00 64.05 55.64 1l3g n THR 76 Cb 0.00 -2.11 0.06 0.00 -2.10 0.00 0.00 70.33 66.18 1l3g n THR 76 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1l3g s TRP 77 N -2.66 3.08 0.06 4.78 -2.14 -1.17 0.72 118.94 121.61 1l3g s TRP 77 Ca 0.32 1.27 -0.02 0.00 2.66 0.00 0.00 56.10 60.32 1l3g s TRP 77 Cb 0.05 -2.98 -0.04 0.00 -3.10 0.00 0.00 33.47 27.41 1l3g s TRP 77 CO 0.08 -1.38 0.01 0.14 -2.66 0.00 0.00 176.95 173.14 1l3g s VAL 78 N -3.13 0.20 -0.32 -0.66 -7.23 9.84 -3.85 120.40 115.25 1l3g s VAL 78 Ca 0.59 -1.75 -0.38 0.00 -1.81 0.00 0.00 61.98 58.63 1l3g s VAL 78 Cb -0.14 -1.55 -0.14 0.00 0.56 0.00 0.00 36.38 35.12 1l3g s VAL 78 CO 0.54 -0.91 1.98 -2.65 -0.31 0.00 0.00 175.10 173.76 1l3g n PRO 79 N 0.07 1.08 -0.31 4.82 -0.02 -1.26 1.07 135.00 140.44 1l3g n PRO 79 Ca -0.13 0.35 0.24 0.00 -2.02 0.00 0.00 63.50 61.94 1l3g n PRO 79 Cb 0.61 -2.23 0.54 0.00 -0.02 0.00 0.00 33.50 32.40 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 9.71 0.38 -1.93 2.45 -0.00 0.03 2.69 115.31 128.64 1l3g h LEU 80 Ca -0.35 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 1l3g h LEU 80 Cb 1.33 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1l3g h LEU 80 CO 1.00 0.08 -0.04 -1.13 -0.00 0.00 0.00 178.44 178.35 1l3g h ASN 81 N 0.34 0.00 0.00 0.17 -0.00 -1.86 -1.76 115.58 112.46 1l3g h ASN 81 Ca 0.58 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 56.64 1l3g h ASN 81 Cb 1.58 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.85 1l3g h ASN 81 CO -0.25 0.04 -1.89 0.00 -0.00 0.00 0.00 177.43 175.34 1l3g n ILE 82 N -4.47 0.89 0.40 2.57 3.06 0.28 -4.04 119.36 118.04 1l3g n ILE 82 Ca -0.03 -0.51 -0.17 0.00 -2.50 0.00 0.00 62.75 59.54 1l3g n ILE 82 Cb 0.12 -0.74 -0.09 0.00 0.54 0.00 0.00 39.64 39.48 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1l3g h ALA 83 N 0.51 -1.01 -0.01 1.51 0.00 0.44 -1.41 119.26 119.29 1l3g h ALA 83 Ca -0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1l3g h ALA 83 Cb 1.75 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.92 1l3g h ALA 83 CO 0.00 -1.00 -0.13 1.57 0.00 0.00 0.00 179.25 179.69 1l3g h LYS 84 N -1.15 0.01 0.00 0.00 2.10 -1.51 -0.56 116.57 115.46 1l3g h LYS 84 Ca -0.10 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.48 1l3g h LYS 84 Cb 0.80 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1l3g h LYS 84 CO 0.17 0.14 -0.29 0.37 -2.00 0.00 0.00 179.45 177.84 1l3g h GLN 85 N 0.01 0.00 0.13 0.07 4.15 -1.64 1.09 115.11 118.92 1l3g h GLN 85 Ca 0.00 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.08 1l3g h GLN 85 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1l3g h GLN 85 CO 0.02 0.29 -1.78 1.25 -1.93 0.00 0.00 178.83 176.68 1l3g h LEU 86 N 0.00 0.42 0.00 -2.39 6.46 -0.10 -3.38 115.31 116.32 1l3g h LEU 86 Ca -0.00 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.01 1l3g h LEU 86 Cb 0.59 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1l3g h LEU 86 CO 0.04 1.64 -0.44 0.00 -0.62 0.00 0.00 178.44 179.07 1l3g h ALA 87 N 0.29 0.00 -0.47 1.25 0.00 -0.99 -3.36 119.26 115.98 1l3g h ALA 87 Ca -0.34 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.25 1l3g h ALA 87 Cb 2.05 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 1l3g h ALA 87 CO 0.13 0.44 0.67 -0.85 0.00 0.00 0.00 179.25 179.64 1l3g n GLU 88 N -4.42 0.01 0.00 0.00 0.28 0.38 -1.05 120.64 115.83 1l3g n GLU 88 Ca -0.06 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 1l3g n GLU 88 Cb 0.23 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.65 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 -2.24 0.00 -0.06 3.44 4.81 -1.25 -3.82 118.16 119.03 1l3g n LYS 89 Ca 0.11 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.60 1l3g n LYS 89 Cb 0.81 -0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.94 1l3g n LYS 89 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1l3g n PHE 90 N 0.00 0.16 0.00 5.64 3.72 -1.03 -4.26 117.46 121.68 1l3g n PHE 90 Ca 0.00 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1l3g n PHE 90 Cb 0.00 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.55 0.00 -0.07 4.37 7.64 -0.22 -4.75 113.62 121.15 1l3g n SER 91 Ca 0.08 0.27 0.01 0.00 1.01 0.00 0.00 58.87 60.24 1l3g n SER 91 Cb 0.32 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1l3g n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1l3g n VAL 92 N -1.48 0.00 -0.24 0.44 0.24 -0.99 -4.44 118.33 111.86 1l3g n VAL 92 Ca 0.00 -0.49 0.20 0.00 -2.04 0.00 0.00 64.34 62.01 1l3g n VAL 92 Cb 0.00 1.04 0.31 0.00 -1.47 0.00 0.00 33.84 33.71 1l3g n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l3g n TYR 93 N -0.20 0.00 -0.06 6.34 9.36 -0.95 0.54 117.16 132.19 1l3g n TYR 93 Ca 0.01 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.20 1l3g n TYR 93 Cb 0.05 -0.19 -0.01 0.00 -0.63 0.00 0.00 39.34 38.56 1l3g n TYR 93 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 1l3g h ASP 94 N 0.00 0.00 -0.08 2.98 3.04 -1.86 -3.36 116.42 117.14 1l3g h ASP 94 Ca 0.35 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 54.17 1l3g h ASP 94 Cb 1.59 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.88 1l3g h ASP 94 CO -0.00 0.68 0.10 1.56 -2.04 0.00 0.00 179.24 179.54 1l3g h GLN 95 N -0.97 0.00 -1.00 4.15 7.50 -0.24 -0.72 115.11 123.82 1l3g h GLN 95 Ca 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.00 1l3g h GLN 95 Cb 0.39 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.83 1l3g h GLN 95 CO 0.00 0.00 0.19 1.28 -1.50 0.00 0.00 178.83 178.80 1l3g n LEU 96 N -3.75 4.06 0.05 1.46 4.77 0.14 -4.45 117.00 119.27 1l3g n LEU 96 Ca -0.01 -2.10 -0.12 0.00 -0.03 0.00 0.00 56.01 53.76 1l3g n LEU 96 Cb 0.19 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1l3g n LEU 96 CO 0.26 0.65 0.66 0.50 -1.33 0.00 0.00 177.39 178.14 1l3g h LYS 97 N 0.30 -0.43 0.67 3.23 3.64 -1.29 0.16 116.57 122.86 1l3g h LYS 97 Ca 0.18 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1l3g h LYS 97 Cb 1.53 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1l3g h LYS 97 CO 0.32 -0.29 -0.32 -1.00 -2.27 0.00 0.00 179.45 175.89 1l3g h PRO 98 N -0.45 -0.87 -0.99 1.90 0.13 -1.78 2.68 132.00 132.62 1l3g h PRO 98 Ca 0.07 0.06 0.34 0.00 -0.87 0.00 0.00 66.00 65.60 1l3g h PRO 98 Cb 0.54 0.20 -0.17 0.00 0.13 0.00 0.00 31.00 31.70 1l3g h PRO 98 CO -0.28 -0.58 0.34 -0.07 -0.23 0.00 0.00 178.00 177.19 1l3g h LEU 99 N -1.24 0.05 0.00 1.56 3.38 -1.74 2.00 115.31 119.32 1l3g h LEU 99 Ca -0.09 0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1l3g h LEU 99 Cb 0.70 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1l3g h LEU 99 CO 0.15 -0.35 -1.03 -0.26 0.09 0.00 0.00 178.44 177.04 1l3g h PHE 100 N 0.06 0.00 -0.00 1.13 0.04 -0.54 -3.30 116.94 114.33 1l3g h PHE 100 Ca 0.73 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.50 1l3g h PHE 100 Cb 1.75 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.90 1l3g h PHE 100 CO -0.20 0.20 0.01 -0.44 -0.60 0.00 0.00 178.31 177.28 1l3g h ASP 101 N 0.00 0.00 -1.37 2.17 3.32 1.92 -3.38 116.42 119.07 1l3g h ASP 101 Ca -0.05 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1l3g h ASP 101 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 1l3g h ASP 101 CO 0.02 0.00 -0.32 0.12 -1.72 0.00 0.00 179.24 177.34 1l3g s PHE 102 N -4.23 -1.34 -0.09 4.55 5.36 -0.66 -5.02 117.98 116.55 1l3g s PHE 102 Ca -0.05 1.51 0.24 0.00 -0.96 0.00 0.00 56.93 57.67 1l3g s PHE 102 Cb 0.13 0.43 0.44 0.00 -0.34 0.00 0.00 43.02 43.68 1l3g s PHE 102 CO 0.43 -0.81 1.15 2.41 -1.46 0.00 0.00 175.22 176.94 1l3g n THR 103 N 5.41 0.42 -3.73 0.12 -1.04 -1.26 -4.82 114.28 109.38 1l3g n THR 103 Ca -0.03 -1.60 -0.38 0.00 -2.04 0.00 0.00 64.05 60.00 1l3g n THR 103 Cb 0.51 1.09 -0.12 0.00 -1.82 0.00 0.00 70.33 69.98 1l3g n THR 103 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1l3g s GLN 104 N -1.25 2.72 -0.18 -2.82 2.00 -1.26 -5.07 119.66 113.79 1l3g s GLN 104 Ca 0.30 -1.12 -0.04 0.00 -2.00 0.00 0.00 55.36 52.51 1l3g s GLN 104 Cb 0.36 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.66 1l3g s GLN 104 CO -0.12 -0.64 -0.04 -0.08 -0.50 0.00 0.00 175.29 173.91 1l3g s THR 105 N 1.44 3.66 -2.49 -0.34 -1.32 -1.26 -4.97 115.64 110.36 1l3g s THR 105 Ca -0.00 -0.42 0.27 0.00 -1.21 0.00 0.00 61.69 60.32 1l3g s THR 105 Cb -0.19 -2.62 0.53 0.00 -1.51 0.00 0.00 72.50 68.71 1l3g s THR 105 CO 0.03 0.46 1.71 -0.90 -2.21 0.00 0.00 174.62 173.72 1l3g n ASP 106 N 4.03 1.56 0.00 8.08 5.68 -1.26 -4.89 116.55 129.75 1l3g n ASP 106 Ca -0.18 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1l3g n ASP 106 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 1.18 2.62 3.35 6.12 0.00 -1.26 -5.01 105.19 112.18 1l3g n GLY 107 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1l3g n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l3g n SER 108 N 0.00 -2.13 -1.99 1.61 2.88 -1.26 -4.84 113.62 107.90 1l3g n SER 108 Ca 0.00 -0.10 -0.19 0.00 -1.33 0.00 0.00 58.87 57.25 1l3g n SER 108 Cb 0.00 -1.07 0.02 0.00 -0.75 0.00 0.00 64.21 62.40 1l3g n SER 108 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l3g n ALA 109 N -4.55 -2.93 -2.17 -1.46 0.00 -1.26 -4.67 120.51 103.47 1l3g n ALA 109 Ca 0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1l3g n ALA 109 Cb 0.59 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 1l3g n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l3g s SER 110 N -0.50 6.96 0.46 0.00 0.15 -1.26 -4.97 113.70 114.55 1l3g s SER 110 Ca 0.18 2.25 -0.24 0.00 0.70 0.00 0.00 55.95 58.83 1l3g s SER 110 Cb 0.05 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1l3g s SER 110 CO 0.33 -0.52 1.33 -2.16 1.20 0.00 0.00 173.24 173.42 1l3g s PRO 111 N 0.51 3.66 0.43 5.44 0.04 -1.26 -4.95 135.00 138.86 1l3g s PRO 111 Ca 0.59 2.18 -0.25 0.00 0.04 0.00 0.00 61.00 63.56 1l3g s PRO 111 Cb -0.34 -2.55 -0.08 0.00 0.04 0.00 0.00 34.50 31.57 1l3g s PRO 111 CO 0.33 -0.76 1.29 -1.25 0.04 0.00 0.00 177.00 176.65 1l3g s PRO 112 N -2.53 3.85 0.00 0.56 0.04 -1.26 -4.99 135.00 130.67 1l3g s PRO 112 Ca 0.63 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1l3g s PRO 112 Cb -0.39 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1l3g s PRO 112 CO 0.48 -0.58 0.00 -2.30 0.04 0.00 0.00 177.00 174.65 1l3g n PRO 113 N -0.08 2.44 -2.06 0.56 -0.02 -1.26 -4.70 135.00 129.88 1l3g n PRO 113 Ca 0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.10 1l3g n PRO 113 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.90 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l3g s ALA 114 N -2.19 3.20 0.14 3.55 0.00 -1.26 -4.84 121.76 120.37 1l3g s ALA 114 Ca 0.00 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1l3g s ALA 114 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 1l3g s ALA 114 CO 0.00 -2.08 1.56 -1.25 0.00 0.00 0.00 175.76 173.99 1l3g s PRO 115 N 4.89 4.23 -1.01 0.00 0.04 -1.26 -4.83 135.00 137.05 1l3g s PRO 115 Ca 0.74 2.32 -0.26 0.00 0.04 0.00 0.00 61.00 63.84 1l3g s PRO 115 Cb -0.25 -3.24 -0.22 0.00 0.04 0.00 0.00 34.50 30.83 1l3g s PRO 115 CO 0.31 -0.61 2.11 1.63 0.04 0.00 0.00 177.00 180.48 1l3g n LYS 116 N 4.24 0.15 -4.27 4.56 4.01 -1.26 -4.85 118.16 120.74 1l3g n LYS 116 Ca 0.14 -1.52 -0.21 0.00 -0.51 0.00 0.00 58.31 56.21 1l3g n LYS 116 Cb 0.39 -3.79 -0.12 0.00 -0.51 0.00 0.00 35.03 31.01 1l3g n LYS 116 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1l3g s HIS 117 N 16.41 1.61 0.83 2.13 5.65 -1.26 -5.12 115.29 135.54 1l3g s HIS 117 Ca 0.80 -0.48 -0.15 0.00 0.25 0.00 0.00 55.06 55.48 1l3g s HIS 117 Cb -0.06 -0.85 -0.03 0.00 -1.18 0.00 0.00 32.58 30.46 1l3g s HIS 117 CO 0.17 0.21 0.27 -2.39 -0.65 0.00 0.00 174.74 172.34 1l3g n HIS 118 N 0.70 -1.76 -2.80 3.88 1.44 -1.26 -4.85 115.22 110.56 1l3g n HIS 118 Ca -0.17 0.26 -0.43 0.00 -2.01 0.00 0.00 57.72 55.38 1l3g n HIS 118 Cb 0.56 -1.79 -0.04 0.00 0.12 0.00 0.00 29.99 28.84 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1l3g s HIS 119 N -2.11 2.62 0.43 -1.40 2.46 -1.26 -5.02 115.29 111.02 1l3g s HIS 119 Ca 0.58 -0.50 -0.21 0.00 0.47 0.00 0.00 55.06 55.40 1l3g s HIS 119 Cb -0.28 -4.35 -0.10 0.00 -0.13 0.00 0.00 32.58 27.71 1l3g s HIS 119 CO 0.65 -1.72 0.97 0.00 -2.47 0.00 0.00 174.74 172.18 1l3g s ALA 120 N 4.31 3.02 -0.12 1.58 0.00 -1.26 -5.00 121.76 124.29 1l3g s ALA 120 Ca 0.25 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1l3g s ALA 120 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1l3g s ALA 120 CO 0.10 0.02 -0.05 -1.12 0.00 0.00 0.00 175.76 174.70 1l3g s SER 121 N -2.06 4.71 0.40 0.00 0.01 -1.26 -4.72 113.70 110.77 1l3g s SER 121 Ca 0.62 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.73 1l3g s SER 121 Cb -0.12 -1.53 -0.05 0.00 0.21 0.00 0.00 66.02 64.53 1l3g s SER 121 CO 0.16 0.25 0.69 -0.54 0.41 0.00 0.00 173.24 174.21 1l3g s LYS 122 N -0.14 3.62 0.36 12.44 -0.14 -1.26 -5.04 119.74 129.59 1l3g s LYS 122 Ca 0.02 0.15 -0.27 0.00 -1.36 0.00 0.00 55.97 54.51 1l3g s LYS 122 Cb -0.13 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.44 1l3g s LYS 122 CO 0.03 -0.01 1.27 0.08 -0.76 0.00 0.00 175.35 175.95 1l3g s VAL 123 N -2.43 2.81 -2.00 3.17 1.01 -1.26 -5.27 120.40 116.43 1l3g s VAL 123 Ca 0.47 0.77 0.17 0.00 0.00 0.00 0.00 61.98 63.38 1l3g s VAL 123 Cb -0.10 -3.47 0.49 0.00 0.00 0.00 0.00 36.38 33.30 1l3g s VAL 123 CO 0.36 0.14 1.44 -0.67 0.00 0.00 0.00 175.10 176.38