#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3g h ASN 3 N 0.00 0.00 -1.89 4.04 -1.24 0.13 6.42 115.58 123.04 1l3g h ASN 3 Ca 0.00 -0.12 -0.56 0.00 0.71 0.00 0.00 56.30 56.32 1l3g h ASN 3 Cb 0.00 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 38.96 1l3g h ASN 3 CO 0.00 0.76 -0.57 -1.10 -1.29 0.00 0.00 177.43 175.22 1l3g s GLN 4 N -2.01 2.24 -0.10 6.67 -1.52 -1.26 -2.86 119.66 120.83 1l3g s GLN 4 Ca -0.11 -1.65 0.03 0.00 -1.95 0.00 0.00 55.36 51.68 1l3g s GLN 4 Cb 0.01 -2.06 0.01 0.00 -0.22 0.00 0.00 33.01 30.75 1l3g s GLN 4 CO 0.21 0.12 -0.20 0.42 -0.25 0.00 0.00 175.29 175.59 1l3g s ILE 5 N -2.47 1.77 0.17 1.08 1.01 -1.26 -4.01 121.20 117.48 1l3g s ILE 5 Ca 0.36 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1l3g s ILE 5 Cb -0.01 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1l3g s ILE 5 CO 0.21 0.50 0.14 -0.31 0.00 0.00 0.00 174.94 175.48 1l3g s TYR 6 N 0.53 0.85 -0.11 3.97 1.51 -0.99 -4.70 117.35 118.41 1l3g s TYR 6 Ca -0.15 -1.17 -0.03 0.00 -1.01 0.00 0.00 57.07 54.70 1l3g s TYR 6 Cb -0.17 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1l3g s TYR 6 CO 0.06 -0.62 0.01 0.45 -1.11 0.00 0.00 175.55 174.33 1l3g s SER 7 N -3.07 5.24 0.01 2.29 0.15 -1.26 -0.51 113.70 116.55 1l3g s SER 7 Ca 0.28 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1l3g s SER 7 Cb 0.06 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1l3g s SER 7 CO 0.05 0.32 -0.02 0.00 1.20 0.00 0.00 173.24 174.79 1l3g s ALA 8 N -0.53 0.11 -0.03 5.45 0.00 13.46 -4.50 121.76 135.73 1l3g s ALA 8 Ca 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1l3g s ALA 8 Cb -0.12 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1l3g s ALA 8 CO 0.02 -0.08 -0.02 -0.98 0.00 0.00 0.00 175.76 174.70 1l3g s ARG 9 N -0.89 0.45 -0.00 0.00 1.04 -1.23 1.19 118.95 119.51 1l3g s ARG 9 Ca -0.09 -0.01 -0.07 0.00 -1.04 0.00 0.00 55.73 54.52 1l3g s ARG 9 Cb -0.06 -0.55 0.00 0.00 -2.04 0.00 0.00 34.95 32.30 1l3g s ARG 9 CO -0.01 -0.09 0.13 0.71 -0.04 0.00 0.00 175.30 176.01 1l3g s TYR 10 N 0.82 0.03 -1.41 5.89 1.51 0.21 -4.87 117.35 119.54 1l3g s TYR 10 Ca -0.09 -0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1l3g s TYR 10 Cb -0.12 -0.05 0.04 0.00 -0.11 0.00 0.00 41.96 41.72 1l3g s TYR 10 CO -0.01 -0.27 0.97 0.45 -1.11 0.00 0.00 175.55 175.58 1l3g n SER 11 N 1.54 -4.10 0.00 2.29 2.88 -1.26 -0.01 113.62 114.96 1l3g n SER 11 Ca -0.22 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1l3g n SER 11 Cb 0.56 -4.33 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 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 -1.69 1.82 3.87 0.46 0.00 -1.26 -4.95 105.19 103.44 1l3g n GLY 12 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.79 4.81 -0.21 1.61 1.01 0.99 -5.07 120.40 121.75 1l3g s VAL 13 Ca 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1l3g s VAL 13 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1l3g s VAL 13 CO 0.00 -0.33 -0.02 -1.81 0.00 0.00 0.00 175.10 172.94 1l3g s ASP 14 N -2.78 4.59 0.25 3.32 1.11 -1.26 0.65 116.67 122.54 1l3g s ASP 14 Ca 0.50 -0.28 0.01 0.00 0.18 0.00 0.00 52.55 52.96 1l3g s ASP 14 Cb -0.10 -1.79 -0.05 0.00 1.07 0.00 0.00 42.92 42.05 1l3g s ASP 14 CO 0.26 0.03 0.11 0.54 1.18 0.00 0.00 175.17 177.29 1l3g s VAL 15 N 1.20 0.38 0.13 -1.27 0.11 9.68 0.16 120.40 130.79 1l3g s VAL 15 Ca 0.03 -2.00 0.09 0.00 -2.93 0.00 0.00 61.98 57.16 1l3g s VAL 15 Cb -0.14 -2.59 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 1l3g s VAL 15 CO 0.00 0.00 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.32 1l3g s TYR 16 N -3.85 2.61 -0.18 1.54 2.02 -1.09 1.39 117.35 119.79 1l3g s TYR 16 Ca 0.38 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.86 1l3g s TYR 16 Cb 0.07 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1l3g s TYR 16 CO 0.14 0.43 -0.19 -1.83 -1.57 0.00 0.00 175.55 172.53 1l3g s GLU 17 N -2.35 3.03 -0.01 -0.62 4.04 0.33 -2.53 118.70 120.59 1l3g s GLU 17 Ca 0.21 -0.81 0.02 0.00 0.04 0.00 0.00 54.97 54.42 1l3g s GLU 17 Cb -0.10 -2.60 -0.00 0.00 0.02 0.00 0.00 34.13 31.44 1l3g s GLU 17 CO 0.12 -0.20 -0.07 -0.06 -1.84 0.00 0.00 175.26 173.22 1l3g s PHE 18 N 1.27 0.60 0.07 4.83 0.08 -0.04 -2.34 117.98 122.46 1l3g s PHE 18 Ca 0.04 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 1l3g s PHE 18 Cb -0.13 -0.39 -0.05 0.00 -0.57 0.00 0.00 43.02 41.88 1l3g s PHE 18 CO -0.11 -0.02 1.01 -1.50 -0.10 0.00 0.00 175.22 174.50 1l3g s ILE 19 N -0.12 4.50 0.00 0.64 -1.16 -1.13 0.65 121.20 124.58 1l3g s ILE 19 Ca 0.02 1.94 0.00 0.00 -0.51 0.00 0.00 60.65 62.10 1l3g s ILE 19 Cb -0.03 -4.24 0.00 0.00 0.61 0.00 0.00 42.46 38.80 1l3g s ILE 19 CO -0.00 0.23 0.00 1.57 -2.81 0.00 0.00 174.94 173.93 1l3g n HIS 20 N 3.28 0.00 -0.01 3.50 -0.00 4.21 0.78 115.22 126.98 1l3g n HIS 20 Ca 0.04 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.21 1l3g n HIS 20 Cb 0.49 0.00 0.27 0.00 -0.12 0.00 0.00 29.99 30.63 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1l3g h SER 21 N 0.00 0.51 -0.55 0.26 0.02 -1.88 -1.52 113.55 110.39 1l3g h SER 21 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1l3g h SER 21 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1l3g h SER 21 CO 0.00 0.61 0.00 0.41 -1.14 0.00 0.00 176.83 176.71 1l3g n THR 22 N -4.25 1.28 0.00 -2.27 -1.04 -1.26 -4.96 114.28 101.78 1l3g n THR 22 Ca 0.01 -0.91 0.00 0.00 -2.04 0.00 0.00 64.05 61.11 1l3g n THR 22 Cb 0.28 0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 1.13 1.29 3.79 3.41 0.00 -0.57 -4.88 105.19 109.36 1l3g n GLY 23 Ca 0.21 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 1l3g n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3g s SER 24 N -4.00 7.22 -0.18 1.61 0.01 -1.23 0.79 113.70 117.93 1l3g s SER 24 Ca 0.00 1.45 -0.02 0.00 1.31 0.00 0.00 55.95 58.69 1l3g s SER 24 Cb 0.00 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1l3g s SER 24 CO 0.00 0.24 -0.10 -0.63 0.41 0.00 0.00 173.24 173.17 1l3g s ILE 25 N -1.13 3.09 -0.19 1.44 -1.09 2.91 -4.67 121.20 121.57 1l3g s ILE 25 Ca 0.32 -0.61 -0.03 0.00 -2.23 0.00 0.00 60.65 58.10 1l3g s ILE 25 Cb -0.21 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1l3g s ILE 25 CO 0.23 0.48 -0.06 -0.04 -1.23 0.00 0.00 174.94 174.32 1l3g s MET 26 N 0.98 3.46 0.34 2.79 -1.94 -1.13 -0.86 119.30 122.94 1l3g s MET 26 Ca -0.01 -0.61 0.08 0.00 -1.71 0.00 0.00 55.69 53.44 1l3g s MET 26 Cb -0.15 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1l3g s MET 26 CO -0.01 -0.00 0.15 0.21 -0.01 0.00 0.00 175.02 175.35 1l3g s LYS 27 N 0.98 2.39 -0.06 2.03 2.20 -1.05 -4.03 119.74 122.19 1l3g s LYS 27 Ca -0.00 -1.54 -0.24 0.00 -0.36 0.00 0.00 55.97 53.83 1l3g s LYS 27 Cb -0.15 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 1l3g s LYS 27 CO 0.00 0.11 0.71 0.50 -0.36 0.00 0.00 175.35 176.32 1l3g s ARG 28 N -3.85 4.44 0.17 4.03 3.52 -0.61 -2.69 118.95 123.97 1l3g s ARG 28 Ca 0.38 0.91 -0.09 0.00 -0.13 0.00 0.00 55.73 56.79 1l3g s ARG 28 Cb -0.03 -3.44 0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1l3g s ARG 28 CO 0.23 0.08 1.58 -0.22 -0.81 0.00 0.00 175.30 176.16 1l3g h LYS 29 N 6.68 1.01 -0.49 5.12 3.64 0.12 2.59 116.57 135.24 1l3g h LYS 29 Ca -0.41 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 58.64 1l3g h LYS 29 Cb 1.20 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 1l3g h LYS 29 CO 0.75 1.08 -0.50 0.87 -2.27 0.00 0.00 179.45 179.38 1l3g h LYS 30 N 0.89 -0.31 -0.15 1.90 1.57 -1.93 -2.87 116.57 115.68 1l3g h LYS 30 Ca 0.13 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1l3g h LYS 30 Cb 0.73 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1l3g h LYS 30 CO 0.06 -0.20 0.00 -3.47 -0.57 0.00 0.00 179.45 175.26 1l3g n ASP 31 N -5.39 2.59 -3.69 0.86 2.03 -1.22 -4.99 116.55 106.75 1l3g n ASP 31 Ca -0.01 -2.28 -0.22 0.00 0.52 0.00 0.00 54.79 52.79 1l3g n ASP 31 Cb 0.34 -0.21 0.03 0.00 -0.72 0.00 0.00 41.12 40.57 1l3g n ASP 31 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1l3g n ASP 32 N -0.31 -1.72 -4.86 1.67 9.92 0.86 -4.13 116.55 117.98 1l3g n ASP 32 Ca 0.09 -0.84 -0.31 0.00 -0.53 0.00 0.00 54.79 53.20 1l3g n ASP 32 Cb 0.44 -4.01 0.00 0.00 -0.64 0.00 0.00 41.12 36.92 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 -3.65 3.59 0.05 1.24 0.52 -0.54 -1.29 118.94 118.86 1l3g s TRP 33 Ca 0.06 1.32 0.05 0.00 0.02 0.00 0.00 56.10 57.55 1l3g s TRP 33 Cb -0.02 -2.74 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 1l3g s TRP 33 CO 0.82 -0.65 -0.13 0.54 0.02 0.00 0.00 176.95 177.54 1l3g s VAL 34 N -3.09 1.02 -0.55 4.03 0.11 0.98 -1.57 120.40 121.33 1l3g s VAL 34 Ca 0.56 -1.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.26 1l3g s VAL 34 Cb -0.11 -0.96 -0.06 0.00 -1.53 0.00 0.00 36.38 33.73 1l3g s VAL 34 CO 0.50 -0.12 2.22 0.21 -3.33 0.00 0.00 175.10 174.59 1l3g s ASN 35 N -1.36 4.70 0.51 3.54 3.84 -1.25 0.65 114.94 125.57 1l3g s ASN 35 Ca -0.01 0.76 0.05 0.00 0.21 0.00 0.00 52.86 53.87 1l3g s ASN 35 Cb -0.09 -2.51 0.16 0.00 -0.55 0.00 0.00 41.25 38.27 1l3g s ASN 35 CO 0.01 -2.76 0.84 0.00 -2.79 0.00 0.00 177.10 172.40 1l3g n ALA 36 N 14.96 0.18 0.16 1.71 0.00 3.25 0.62 120.51 141.39 1l3g n ALA 36 Ca 0.32 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1l3g n ALA 36 Cb 0.53 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1l3g n ALA 36 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1l3g h THR 37 N 0.00 0.75 -0.24 0.00 2.02 -1.84 9.12 112.91 122.73 1l3g h THR 37 Ca 0.09 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1l3g h THR 37 Cb 1.74 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1l3g h THR 37 CO -0.00 0.07 0.17 -0.74 0.37 0.00 0.00 175.52 175.38 1l3g h HIS 38 N -0.54 0.04 0.00 3.16 -0.00 -0.16 5.01 115.15 122.66 1l3g h HIS 38 Ca -0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.08 1l3g h HIS 38 Cb 0.40 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 1l3g h HIS 38 CO -0.01 0.02 -1.35 -0.89 -0.00 0.00 0.00 177.93 175.70 1l3g n ILE 39 N -4.48 1.54 -0.10 6.26 -0.00 -0.81 -3.34 119.36 118.44 1l3g n ILE 39 Ca 0.02 -0.06 -0.21 0.00 -0.00 0.00 0.00 62.75 62.50 1l3g n ILE 39 Cb 0.29 -2.02 -0.11 0.00 -0.00 0.00 0.00 39.64 37.80 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 -4.39 1.86 0.24 1.39 4.77 2.89 -4.02 117.00 119.74 1l3g n LEU 40 Ca -0.33 0.43 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 1l3g n LEU 40 Cb 0.70 -0.95 0.60 0.00 -2.33 0.00 0.00 43.42 41.44 1l3g n LEU 40 CO 0.19 0.25 0.89 0.50 -1.33 0.00 0.00 177.39 177.89 1l3g h LYS 41 N -1.00 0.00 0.00 3.23 1.63 0.60 0.91 116.57 121.94 1l3g h LYS 41 Ca -0.35 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 1l3g h LYS 41 Cb 1.28 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1l3g h LYS 41 CO -0.21 0.19 -0.11 0.00 -3.45 0.00 0.00 179.45 175.87 1l3g h ALA 42 N 1.81 1.28 0.00 5.00 0.00 0.84 -2.71 119.26 125.48 1l3g h ALA 42 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1l3g h ALA 42 Cb 0.49 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.09 1l3g h ALA 42 CO 0.02 0.13 -0.71 0.00 0.00 0.00 0.00 179.25 178.69 1l3g n ALA 43 N -2.27 2.23 -1.51 0.00 0.00 -0.68 -4.81 120.51 113.47 1l3g n ALA 43 Ca -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.67 1l3g n ALA 43 Cb 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.00 -1.15 0.00 0.23 0.31 -5.02 115.26 109.74 1l3g n ASN 44 Ca 0.04 -1.04 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 1l3g n ASN 44 Cb 0.89 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.59 1l3g n ASN 44 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1l3g n PHE 45 N 0.00 -0.98 -3.01 -2.53 3.01 -1.03 -4.58 117.46 108.34 1l3g n PHE 45 Ca 0.00 0.52 -0.44 0.00 1.01 0.00 0.00 57.45 58.54 1l3g n PHE 45 Cb 0.51 -1.13 -0.03 0.00 -0.01 0.00 0.00 39.48 38.82 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1l3g s ALA 46 N -3.22 3.46 0.00 4.37 0.00 -1.26 -4.22 121.76 120.89 1l3g s ALA 46 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1l3g s ALA 46 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1l3g s ALA 46 CO 0.00 -2.75 0.00 1.63 0.00 0.00 0.00 175.76 174.64 1l3g n LYS 47 N 6.22 0.72 0.07 0.00 5.02 -1.26 -4.87 118.16 124.05 1l3g n LYS 47 Ca 0.14 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.64 1l3g n LYS 47 Cb 0.47 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 36.20 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 1.00 2.17 0.05 7.82 0.00 -1.98 0.34 119.26 128.66 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 -0.03 0.87 0.00 0.00 0.00 179.25 179.34 1l3g h LYS 49 N 0.00 -0.07 0.00 0.00 6.56 -1.93 -2.75 116.57 118.38 1l3g h LYS 49 Ca 0.22 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.80 1l3g h LYS 49 Cb 1.26 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1l3g h LYS 49 CO -0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 179.45 177.68 1l3g h ARG 50 N -0.48 0.00 -0.32 3.15 -0.00 -0.55 0.20 114.38 116.38 1l3g h ARG 50 Ca -0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.37 1l3g h ARG 50 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1l3g h ARG 50 CO 0.01 0.04 -0.24 0.00 0.00 0.00 0.00 179.97 179.78 1l3g h THR 51 N 0.00 1.27 0.00 2.04 1.03 -0.98 -0.80 112.91 115.47 1l3g h THR 51 Ca -0.00 -1.31 0.00 0.00 -0.01 0.00 0.00 66.41 65.09 1l3g h THR 51 Cb 0.08 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 1l3g h THR 51 CO 0.00 0.43 -0.11 -1.14 -0.01 0.00 0.00 175.52 174.69 1l3g n ARG 52 N -4.11 0.10 -0.28 0.00 3.00 -0.40 -2.45 116.66 112.52 1l3g n ARG 52 Ca -0.00 0.29 0.10 0.00 -0.00 0.00 0.00 57.85 58.24 1l3g n ARG 52 Cb 0.42 -0.93 0.24 0.00 0.00 0.00 0.00 32.46 32.20 1l3g n ARG 52 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1l3g h ILE 53 N -0.21 0.35 0.49 5.15 -0.00 -0.83 1.09 117.51 123.55 1l3g h ILE 53 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 64.86 64.77 1l3g h ILE 53 Cb 0.11 0.14 0.00 0.00 -0.00 0.00 0.00 36.82 37.07 1l3g h ILE 53 CO 0.00 0.04 -0.23 0.25 -0.00 0.00 0.00 178.15 178.20 1l3g h LEU 54 N 0.20 -0.55 -0.72 0.16 6.46 -1.26 0.72 115.31 120.32 1l3g h LEU 54 Ca 0.50 -0.07 0.13 0.00 -0.12 0.00 0.00 57.88 58.32 1l3g h LEU 54 Cb 0.96 0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.94 1l3g h LEU 54 CO -0.63 -0.16 0.28 1.05 -0.62 0.00 0.00 178.44 178.36 1l3g h GLU 55 N -1.04 0.42 -0.03 1.25 -0.00 -0.91 3.98 114.58 118.24 1l3g h GLU 55 Ca -0.07 -0.03 -0.16 0.00 -0.00 0.00 0.00 59.36 59.11 1l3g h GLU 55 Cb 0.59 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.23 1l3g h GLU 55 CO 0.11 0.28 -0.70 -0.22 -0.00 0.00 0.00 179.01 178.48 1l3g h LYS 56 N 0.43 0.17 0.01 1.06 3.64 0.12 2.17 116.57 124.17 1l3g h LYS 56 Ca 0.39 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1l3g h LYS 56 Cb 0.57 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1l3g h LYS 56 CO -0.39 0.80 -0.06 1.49 -2.27 0.00 0.00 179.45 179.02 1l3g h GLU 57 N 0.11 0.03 0.04 1.90 4.22 0.32 -3.28 114.58 117.92 1l3g h GLU 57 Ca -0.02 -0.04 -0.16 0.00 0.08 0.00 0.00 59.36 59.22 1l3g h GLU 57 Cb 1.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1l3g h GLU 57 CO 0.10 0.93 -0.86 -0.39 -2.18 0.00 0.00 179.01 176.62 1l3g h VAL 58 N -0.86 1.27 -0.98 0.32 -1.51 0.74 -3.29 116.25 111.95 1l3g h VAL 58 Ca -0.01 -2.31 0.27 0.00 -1.23 0.00 0.00 66.70 63.42 1l3g h VAL 58 Cb 0.96 2.79 -0.18 0.00 -2.13 0.00 0.00 31.29 32.73 1l3g h VAL 58 CO 0.01 0.53 0.03 -0.11 -1.23 0.00 0.00 177.57 176.81 1l3g n LEU 59 N -4.34 -0.10 0.01 4.19 -0.00 0.73 0.66 117.00 118.14 1l3g n LEU 59 Ca -0.22 1.66 0.08 0.00 -0.00 0.00 0.00 56.01 57.53 1l3g n LEU 59 Cb 0.68 -0.61 0.36 0.00 -0.00 0.00 0.00 43.42 43.85 1l3g n LEU 59 CO 0.31 -1.68 0.76 0.29 -0.00 0.00 0.00 177.39 177.07 1l3g n LYS 60 N -5.45 0.01 0.00 1.96 5.02 -1.23 -4.72 118.16 113.75 1l3g n LYS 60 Ca 0.23 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1l3g n LYS 60 Cb 0.76 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1l3g n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1l3g n GLU 61 N -1.54 3.70 -1.75 1.97 4.07 3.01 -5.02 120.64 125.08 1l3g n GLU 61 Ca 0.04 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.77 1l3g n GLU 61 Cb 0.19 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.63 1l3g n GLU 61 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1l3g n THR 62 N 0.00 3.50 -2.13 6.31 -1.04 -1.24 -4.95 114.28 114.73 1l3g n THR 62 Ca 0.00 -3.86 -0.41 0.00 -2.04 0.00 0.00 64.05 57.74 1l3g n THR 62 Cb 0.00 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 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 -3.94 3.09 0.02 -1.42 -3.43 -1.24 -4.75 115.29 103.62 1l3g s HIS 63 Ca 0.56 1.36 0.03 0.00 -0.80 0.00 0.00 55.06 56.20 1l3g s HIS 63 Cb 0.46 -3.67 -0.01 0.00 -1.43 0.00 0.00 32.58 27.93 1l3g s HIS 63 CO -0.25 -1.90 -0.08 -1.21 -2.00 0.00 0.00 174.74 169.30 1l3g s GLU 64 N -1.40 0.58 -0.15 -0.38 0.41 -1.25 -4.92 118.70 111.60 1l3g s GLU 64 Ca 0.51 -0.51 -0.11 0.00 -0.41 0.00 0.00 54.97 54.46 1l3g s GLU 64 Cb -0.39 -0.49 -0.05 0.00 -1.78 0.00 0.00 34.13 31.42 1l3g s GLU 64 CO 0.49 0.12 0.20 0.15 -0.49 0.00 0.00 175.26 175.73 1l3g s LYS 65 N -0.83 3.97 -0.13 1.61 -0.14 -0.97 -2.77 119.74 120.47 1l3g s LYS 65 Ca -0.02 -0.06 0.03 0.00 -1.36 0.00 0.00 55.97 54.56 1l3g s LYS 65 Cb -0.06 -3.34 0.01 0.00 -1.68 0.00 0.00 37.83 32.76 1l3g s LYS 65 CO 0.00 0.45 -0.22 0.14 -0.76 0.00 0.00 175.35 174.97 1l3g s VAL 66 N -0.13 2.01 0.29 3.17 -7.23 -0.87 -4.95 120.40 112.69 1l3g s VAL 66 Ca 0.14 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1l3g s VAL 66 Cb -0.12 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1l3g s VAL 66 CO 0.03 0.54 0.30 0.00 -0.31 0.00 0.00 175.10 175.66 1l3g s GLN 67 N 0.73 1.63 0.00 4.82 0.00 -1.25 -3.53 119.66 122.06 1l3g s GLN 67 Ca -0.10 -1.79 0.00 0.00 -0.00 0.00 0.00 55.36 53.47 1l3g s GLN 67 Cb -0.16 0.35 0.00 0.00 0.00 0.00 0.00 33.01 33.20 1l3g s GLN 67 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.29 175.09 1l3g n GLY 68 N -0.49 0.90 0.00 2.60 0.00 -1.26 -3.12 105.19 103.82 1l3g n GLY 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.14 1.37 3.36 -0.02 0.00 -1.26 -5.02 105.19 101.49 1l3g n GLY 69 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1l3g n GLY 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1l3g s PHE 70 N -2.36 3.35 0.00 1.61 5.36 -1.18 -4.16 117.98 120.60 1l3g s PHE 70 Ca 0.00 -1.48 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 1l3g s PHE 70 Cb 0.00 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1l3g s PHE 70 CO 0.00 -1.17 0.00 0.41 -1.46 0.00 0.00 175.22 173.00 1l3g n GLY 71 N 4.82 0.53 0.03 13.12 0.00 -1.26 -3.82 105.19 118.60 1l3g n GLY 71 Ca 0.04 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.85 0.05 0.13 1.61 0.00 -1.23 -1.67 118.16 114.19 1l3g n LYS 72 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 58.31 58.55 1l3g n LYS 72 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 35.03 33.46 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 0.02 5.64 0.05 -1.88 -3.35 116.97 117.45 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 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 1l3g h TYR 73 CO 0.00 0.53 -1.93 0.00 -1.05 0.00 0.00 178.16 175.71 1l3g n GLN 74 N -3.21 0.62 0.00 4.88 0.00 -0.81 -3.37 117.38 115.48 1l3g n GLN 74 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 57.00 57.39 1l3g n GLN 74 Cb 0.75 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.35 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 1.59 1.30 2.41 2.61 0.00 -0.67 -4.11 105.19 108.32 1l3g n GLY 75 Ca -0.41 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 1.17 -1.86 2.61 -1.04 -1.11 -2.06 114.28 111.99 1l3g n THR 76 Ca 0.00 -4.72 -0.32 0.00 -2.04 0.00 0.00 64.05 56.98 1l3g n THR 76 Cb 0.00 -2.04 0.02 0.00 -1.82 0.00 0.00 70.33 66.49 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 -1.82 3.17 0.17 -1.42 -2.14 -1.18 0.69 118.94 116.41 1l3g s TRP 77 Ca 0.36 1.44 -0.03 0.00 2.66 0.00 0.00 56.10 60.54 1l3g s TRP 77 Cb 0.12 -2.89 -0.03 0.00 -3.10 0.00 0.00 33.47 27.57 1l3g s TRP 77 CO -0.07 -1.03 0.14 0.08 -2.66 0.00 0.00 176.95 173.41 1l3g s VAL 78 N -2.81 0.05 -0.32 -0.66 1.01 2.96 -3.74 120.40 116.88 1l3g s VAL 78 Ca 0.60 -1.86 -0.31 0.00 0.00 0.00 0.00 61.98 60.40 1l3g s VAL 78 Cb -0.14 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 1l3g s VAL 78 CO 0.46 -0.21 2.24 -2.65 0.00 0.00 0.00 175.10 174.94 1l3g n PRO 79 N -0.20 1.42 -0.27 2.72 -0.02 -1.26 0.33 135.00 137.71 1l3g n PRO 79 Ca -0.02 0.36 0.29 0.00 -2.02 0.00 0.00 63.50 62.10 1l3g n PRO 79 Cb 0.64 -2.86 0.66 0.00 -0.02 0.00 0.00 33.50 31.92 1l3g n PRO 79 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1l3g h LEU 80 N 14.21 0.16 -1.87 2.45 7.12 -1.35 2.51 115.31 138.55 1l3g h LEU 80 Ca -0.32 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.70 1l3g h LEU 80 Cb 1.28 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1l3g h LEU 80 CO 1.02 0.04 -0.09 0.78 -0.13 0.00 0.00 178.44 180.05 1l3g h ASN 81 N 0.14 0.00 0.00 1.25 4.21 -1.85 -1.91 115.58 117.42 1l3g h ASN 81 Ca 0.52 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.88 1l3g h ASN 81 Cb 1.80 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.97 1l3g h ASN 81 CO -0.10 0.09 -1.58 -0.38 -1.29 0.00 0.00 177.43 174.17 1l3g n ILE 82 N -4.31 0.58 0.36 2.81 5.41 0.24 -4.15 119.36 120.30 1l3g n ILE 82 Ca -0.03 -0.33 -0.17 0.00 1.00 0.00 0.00 62.75 63.22 1l3g n ILE 82 Cb 0.17 -0.80 -0.08 0.00 -0.71 0.00 0.00 39.64 38.22 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 0.34 -0.91 -0.05 -1.39 0.00 0.40 -1.05 119.26 116.59 1l3g h ALA 83 Ca -0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1l3g h ALA 83 Cb 1.49 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1l3g h ALA 83 CO 0.00 -0.94 -0.16 1.57 0.00 0.00 0.00 179.25 179.73 1l3g h LYS 84 N -1.06 0.07 0.00 0.00 2.10 -1.53 -1.08 116.57 115.08 1l3g h LYS 84 Ca -0.09 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 1l3g h LYS 84 Cb 0.73 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1l3g h LYS 84 CO 0.15 0.23 -0.20 0.37 -2.00 0.00 0.00 179.45 178.00 1l3g h GLN 85 N 0.07 0.00 0.12 0.07 4.15 -1.63 0.57 115.11 118.45 1l3g h GLN 85 Ca 0.01 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.13 1l3g h GLN 85 Cb 0.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1l3g h GLN 85 CO 0.02 0.20 -1.59 1.25 -1.93 0.00 0.00 178.83 176.79 1l3g h LEU 86 N 0.00 0.38 0.00 -2.39 6.46 -0.05 -3.37 115.31 116.34 1l3g h LEU 86 Ca -0.00 -0.86 -0.01 0.00 -0.12 0.00 0.00 57.88 56.90 1l3g h LEU 86 Cb 0.62 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1l3g h LEU 86 CO 0.03 1.69 -0.30 0.00 -0.62 0.00 0.00 178.44 179.23 1l3g h ALA 87 N -0.04 0.01 -0.54 1.25 0.00 -1.17 -3.34 119.26 115.42 1l3g h ALA 87 Ca -0.34 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.41 1l3g h ALA 87 Cb 1.83 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1l3g h ALA 87 CO 0.05 0.29 0.83 -0.85 0.00 0.00 0.00 179.25 179.57 1l3g n GLU 88 N -4.68 0.01 0.00 0.00 0.00 0.20 -0.86 120.64 115.31 1l3g n GLU 88 Ca -0.05 0.71 0.00 0.00 0.00 0.00 0.00 57.16 57.82 1l3g n GLU 88 Cb 0.17 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 29.80 1l3g n GLU 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1l3g n LYS 89 N -2.47 0.00 -0.00 3.44 3.00 -1.25 -3.81 118.16 117.06 1l3g n LYS 89 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.49 1l3g n LYS 89 Cb 0.99 -0.06 0.05 0.00 0.00 0.00 0.00 35.03 36.01 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 0.00 0.00 5.64 7.35 -1.08 -4.12 117.46 125.25 1l3g n PHE 90 Ca 0.00 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 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 -1.13 -0.76 0.00 0.00 176.76 174.87 1l3g n SER 91 N 0.70 0.00 -0.10 -2.13 3.41 -0.04 -4.62 113.62 110.84 1l3g n SER 91 Ca 0.07 0.35 0.02 0.00 -0.26 0.00 0.00 58.87 59.05 1l3g n SER 91 Cb 0.31 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1l3g n SER 91 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1l3g n VAL 92 N -1.04 1.08 -0.60 -3.33 0.24 -1.03 -4.43 118.33 109.22 1l3g n VAL 92 Ca 0.00 -1.10 0.47 0.00 -2.04 0.00 0.00 64.34 61.67 1l3g n VAL 92 Cb 0.00 0.44 0.73 0.00 -1.47 0.00 0.00 33.84 33.53 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 -0.43 0.00 -0.07 6.34 4.11 -1.19 0.47 117.16 126.39 1l3g n TYR 93 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.88 1l3g n TYR 93 Cb 0.31 -0.44 -0.02 0.00 -0.00 0.00 0.00 39.34 39.19 1l3g n TYR 93 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1l3g n ASP 94 N -3.73 1.81 -0.23 9.48 5.68 -1.26 -3.99 116.55 124.31 1l3g n ASP 94 Ca 0.39 0.62 -0.02 0.00 -0.50 0.00 0.00 54.79 55.29 1l3g n ASP 94 Cb 1.88 -0.87 0.10 0.00 -1.14 0.00 0.00 41.12 41.09 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1l3g h GLN 95 N -1.00 0.67 -1.25 0.11 4.20 -1.50 -1.06 115.11 115.28 1l3g h GLN 95 Ca -0.00 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1l3g h GLN 95 Cb 0.54 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1l3g h GLN 95 CO -0.00 0.44 0.11 1.47 -0.67 0.00 0.00 178.83 180.18 1l3g n LEU 96 N -4.78 4.19 0.43 1.46 -0.00 0.18 -4.38 117.00 114.09 1l3g n LEU 96 Ca 0.08 -2.07 -0.18 0.00 -0.00 0.00 0.00 56.01 53.84 1l3g n LEU 96 Cb 0.17 -0.71 -0.09 0.00 -0.00 0.00 0.00 43.42 42.79 1l3g n LEU 96 CO 0.29 0.73 0.53 0.50 -0.00 0.00 0.00 177.39 179.44 1l3g h LYS 97 N 0.44 -1.06 0.49 1.47 3.64 -1.32 -1.33 116.57 118.91 1l3g h LYS 97 Ca 0.09 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1l3g h LYS 97 Cb 1.19 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1l3g h LYS 97 CO 0.19 -0.70 -0.24 -1.35 -2.27 0.00 0.00 179.45 175.08 1l3g h PRO 98 N -1.19 -0.64 -1.09 1.90 0.11 -1.76 -0.32 132.00 129.01 1l3g h PRO 98 Ca -0.11 0.04 0.30 0.00 0.11 0.00 0.00 66.00 66.34 1l3g h PRO 98 Cb 0.86 0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 1l3g h PRO 98 CO 0.19 -0.36 0.75 1.25 -0.21 0.00 0.00 178.00 179.62 1l3g h LEU 99 N -0.82 0.16 0.03 2.35 7.12 1.35 1.45 115.31 126.94 1l3g h LEU 99 Ca -0.07 0.03 -0.25 0.00 0.13 0.00 0.00 57.88 57.72 1l3g h LEU 99 Cb 0.57 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 1l3g h LEU 99 CO 0.11 0.03 -1.29 -0.26 -0.13 0.00 0.00 178.44 176.90 1l3g h PHE 100 N 0.14 0.10 0.02 1.25 -1.00 -0.89 -3.38 116.94 113.17 1l3g h PHE 100 Ca 0.56 -0.07 -0.26 0.00 2.81 0.00 0.00 57.97 61.01 1l3g h PHE 100 Cb 1.91 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.43 1l3g h PHE 100 CO -0.00 1.08 -1.40 -0.25 -1.61 0.00 0.00 178.31 176.12 1l3g n ASP 101 N -3.30 1.90 0.00 2.17 9.92 0.11 -5.09 116.55 122.26 1l3g n ASP 101 Ca -0.08 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1l3g n ASP 101 Cb 0.99 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1l3g n ASP 101 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1l3g n PHE 102 N -4.29 0.00 -2.51 1.24 3.72 0.46 -5.02 117.46 111.05 1l3g n PHE 102 Ca -0.33 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.64 1l3g n PHE 102 Cb 0.74 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.26 1l3g n PHE 102 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1l3g s THR 103 N 0.00 4.34 0.50 4.37 -1.32 -1.26 -5.00 115.64 117.26 1l3g s THR 103 Ca 0.00 1.56 -0.04 0.00 -1.21 0.00 0.00 61.69 62.00 1l3g s THR 103 Cb 0.00 -4.21 -0.02 0.00 -1.51 0.00 0.00 72.50 66.76 1l3g s THR 103 CO 0.00 -0.36 0.78 -1.58 -2.21 0.00 0.00 174.62 171.25 1l3g s GLN 104 N 3.76 3.28 0.17 7.08 0.74 -1.26 -4.92 119.66 128.50 1l3g s GLN 104 Ca 0.51 -0.01 -0.27 0.00 0.05 0.00 0.00 55.36 55.64 1l3g s GLN 104 Cb -0.16 -2.40 -0.08 0.00 1.10 0.00 0.00 33.01 31.47 1l3g s GLN 104 CO 0.17 -0.33 0.83 0.99 -0.55 0.00 0.00 175.29 176.39 1l3g s THR 105 N -2.75 4.34 -0.27 -0.34 2.01 -1.26 -4.83 115.64 112.54 1l3g s THR 105 Ca 0.49 1.81 0.00 0.00 0.31 0.00 0.00 61.69 64.30 1l3g s THR 105 Cb -0.10 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.21 1l3g s THR 105 CO 0.43 0.49 0.00 0.47 -0.69 0.00 0.00 174.62 175.32 1l3g n ASP 106 N 1.77 0.00 0.00 3.53 8.00 -1.26 -4.13 116.55 124.47 1l3g n ASP 106 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1l3g n ASP 106 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l3g n GLY 107 N 0.39 1.76 3.76 0.44 0.00 -1.26 -5.04 105.19 105.24 1l3g n GLY 107 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1l3g n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3g s SER 108 N -1.90 7.11 -0.48 1.61 0.15 -1.26 -4.93 113.70 113.99 1l3g s SER 108 Ca 0.00 1.32 -0.44 0.00 0.70 0.00 0.00 55.95 57.53 1l3g s SER 108 Cb 0.00 -2.42 -0.19 0.00 -1.71 0.00 0.00 66.02 61.70 1l3g s SER 108 CO 0.00 0.08 1.84 0.00 1.20 0.00 0.00 173.24 176.36 1l3g n ALA 109 N 2.63 -0.46 -3.89 5.45 0.00 -1.26 -4.82 120.51 118.16 1l3g n ALA 109 Ca -0.05 0.32 -0.34 0.00 0.00 0.00 0.00 53.44 53.37 1l3g n ALA 109 Cb 0.50 -1.95 -0.15 0.00 0.00 0.00 0.00 19.45 17.86 1l3g n ALA 109 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1l3g s SER 110 N 4.53 3.97 -0.48 0.00 0.01 -1.26 -5.05 113.70 115.41 1l3g s SER 110 Ca 1.10 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 57.23 1l3g s SER 110 Cb -1.45 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.14 1l3g s SER 110 CO 0.71 -0.09 2.09 -2.16 0.41 0.00 0.00 173.24 174.20 1l3g s PRO 111 N 1.29 2.59 -0.01 12.44 0.04 -1.26 -4.94 135.00 145.15 1l3g s PRO 111 Ca 0.01 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 1l3g s PRO 111 Cb -0.16 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 1l3g s PRO 111 CO -0.07 -2.74 0.87 -1.25 0.04 0.00 0.00 177.00 173.85 1l3g s PRO 112 N 7.21 4.52 -0.00 0.56 0.04 -1.26 -4.99 135.00 141.08 1l3g s PRO 112 Ca 0.84 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 1l3g s PRO 112 Cb -0.18 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 1l3g s PRO 112 CO 0.26 0.04 0.80 -1.00 0.04 0.00 0.00 177.00 177.14 1l3g h PRO 113 N 6.58 -0.43 -2.22 0.56 0.13 -1.91 -3.45 132.00 131.26 1l3g h PRO 113 Ca -0.41 0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 1l3g h PRO 113 Cb 1.21 0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1l3g h PRO 113 CO 0.74 -0.29 0.12 0.00 -0.23 0.00 0.00 178.00 178.34 1l3g n ALA 114 N -2.39 -1.19 -0.68 -0.56 0.00 -1.26 -4.38 120.51 110.05 1l3g n ALA 114 Ca -0.06 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 1l3g n ALA 114 Cb 0.18 -0.67 0.17 0.00 0.00 0.00 0.00 19.45 19.12 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 0.93 -1.29 -2.92 0.00 -0.02 -1.26 -4.84 135.00 125.60 1l3g n PRO 115 Ca 0.09 -0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 60.79 1l3g n PRO 115 Cb 0.01 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1l3g n PRO 115 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1l3g s LYS 116 N -3.72 3.59 -0.16 -0.52 3.01 -1.26 -5.00 119.74 115.68 1l3g s LYS 116 Ca 0.59 -1.74 -0.04 0.00 -1.01 0.00 0.00 55.97 53.77 1l3g s LYS 116 Cb -0.17 -4.90 -0.03 0.00 -1.01 0.00 0.00 37.83 31.71 1l3g s LYS 116 CO 0.66 -1.77 -0.01 -3.38 0.51 0.00 0.00 175.35 171.35 1l3g s HIS 117 N 2.72 3.08 0.30 3.18 -3.43 -1.26 -5.10 115.29 114.78 1l3g s HIS 117 Ca 0.32 -0.19 -0.04 0.00 -0.80 0.00 0.00 55.06 54.36 1l3g s HIS 117 Cb -0.05 -1.98 -0.05 0.00 -1.43 0.00 0.00 32.58 29.07 1l3g s HIS 117 CO -0.09 0.03 0.55 -1.01 -2.00 0.00 0.00 174.74 172.22 1l3g s HIS 118 N 0.31 3.49 -0.17 0.38 3.76 -1.26 -5.01 115.29 116.79 1l3g s HIS 118 Ca -0.02 0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 55.17 1l3g s HIS 118 Cb -0.14 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1l3g s HIS 118 CO 0.02 0.16 1.81 -3.38 -0.85 0.00 0.00 174.74 172.50 1l3g s HIS 119 N -2.14 1.75 0.42 1.40 -3.43 -1.26 -4.93 115.29 107.11 1l3g s HIS 119 Ca 0.43 0.34 -0.25 0.00 -0.80 0.00 0.00 55.06 54.79 1l3g s HIS 119 Cb -0.10 -4.02 -0.10 0.00 -1.43 0.00 0.00 32.58 26.92 1l3g s HIS 119 CO 0.32 -3.70 1.10 0.00 -2.00 0.00 0.00 174.74 170.46 1l3g n ALA 120 N 8.92 0.56 -3.75 -1.38 0.00 -1.26 -4.95 120.51 118.65 1l3g n ALA 120 Ca 0.21 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 1l3g n ALA 120 Cb 0.44 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.68 5.26 -0.26 0.00 0.15 -1.26 -5.06 113.70 111.85 1l3g s SER 121 Ca 0.63 -2.26 -0.06 0.00 0.70 0.00 0.00 55.95 54.96 1l3g s SER 121 Cb -0.54 -1.84 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1l3g s SER 121 CO 0.57 -0.50 0.04 -0.54 1.20 0.00 0.00 173.24 174.01 1l3g s LYS 122 N 0.81 3.28 0.16 5.44 1.02 -1.26 -5.07 119.74 124.11 1l3g s LYS 122 Ca 0.11 -0.71 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 1l3g s LYS 122 Cb -0.22 -3.25 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 1l3g s LYS 122 CO -0.04 -0.32 1.35 0.54 -0.92 0.00 0.00 175.35 175.96 1l3g s VAL 123 N 1.51 3.25 -2.00 3.17 0.11 -1.26 -5.34 120.40 119.84 1l3g s VAL 123 Ca 0.04 0.95 0.22 0.00 -2.93 0.00 0.00 61.98 60.27 1l3g s VAL 123 Cb -0.16 -3.61 0.64 0.00 -1.53 0.00 0.00 36.38 31.72 1l3g s VAL 123 CO 0.01 0.11 1.71 -0.90 -3.33 0.00 0.00 175.10 172.70