#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 -2.34 6.43 4.21 -2.01 -3.35 115.58 118.53 1l3g h ASN 3 Ca 0.00 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.27 1l3g h ASN 3 Cb 0.00 0.00 0.14 0.00 -1.12 0.00 0.00 38.32 37.34 1l3g h ASN 3 CO 0.00 0.75 -0.07 1.67 -1.29 0.00 0.00 177.43 178.49 1l3g n GLN 4 N -3.11 -3.55 -3.50 0.81 -0.06 -1.26 -4.62 117.38 102.09 1l3g n GLN 4 Ca -0.06 -0.98 -0.42 0.00 -2.00 0.00 0.00 57.00 53.54 1l3g n GLN 4 Cb 0.88 -1.18 -0.05 0.00 -4.06 0.00 0.00 30.24 25.83 1l3g n GLN 4 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1l3g s ILE 5 N -1.83 4.81 0.84 1.69 2.07 -1.26 -4.14 121.20 123.38 1l3g s ILE 5 Ca 0.44 -2.80 -0.13 0.00 -1.41 0.00 0.00 60.65 56.75 1l3g s ILE 5 Cb -0.07 -4.02 0.08 0.00 0.13 0.00 0.00 42.46 38.59 1l3g s ILE 5 CO 0.36 -0.98 1.04 -1.22 -1.91 0.00 0.00 174.94 172.23 1l3g n TYR 6 N 3.62 0.70 -4.47 3.50 4.01 2.44 -4.55 117.16 122.41 1l3g n TYR 6 Ca 0.12 0.38 -0.30 0.00 -0.16 0.00 0.00 57.90 57.94 1l3g n TYR 6 Cb 0.42 -2.03 -0.12 0.00 -0.31 0.00 0.00 39.34 37.31 1l3g n TYR 6 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1l3g s SER 7 N -2.16 3.96 0.06 7.72 0.01 -1.26 0.83 113.70 122.86 1l3g s SER 7 Ca 0.69 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 1l3g s SER 7 Cb -0.27 -0.65 0.01 0.00 0.21 0.00 0.00 66.02 65.31 1l3g s SER 7 CO 0.55 0.22 0.24 0.00 0.41 0.00 0.00 173.24 174.66 1l3g s ALA 8 N -1.04 -0.46 -0.11 1.44 0.00 2.09 -4.52 121.76 119.17 1l3g s ALA 8 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1l3g s ALA 8 Cb -0.11 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.46 1l3g s ALA 8 CO 0.08 -0.45 0.22 -0.98 0.00 0.00 0.00 175.76 174.63 1l3g s ARG 9 N -3.06 0.10 0.25 0.00 1.04 -1.25 1.19 118.95 117.22 1l3g s ARG 9 Ca -0.01 0.66 -0.03 0.00 -1.04 0.00 0.00 55.73 55.30 1l3g s ARG 9 Cb 0.01 -0.14 -0.02 0.00 -2.04 0.00 0.00 34.95 32.76 1l3g s ARG 9 CO -0.07 -0.29 0.31 1.52 -0.04 0.00 0.00 175.30 176.73 1l3g s TYR 10 N 2.32 1.00 -1.45 5.89 -0.85 0.15 -4.75 117.35 119.66 1l3g s TYR 10 Ca 0.02 -1.22 -0.09 0.00 -0.52 0.00 0.00 57.07 55.25 1l3g s TYR 10 Cb -0.12 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 41.96 1l3g s TYR 10 CO -0.07 -0.85 0.94 0.45 -1.52 0.00 0.00 175.55 174.49 1l3g n SER 11 N -0.66 -5.76 0.00 -0.18 2.88 -1.26 -0.69 113.62 107.95 1l3g n SER 11 Ca 0.02 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 1l3g n SER 11 Cb 0.64 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.50 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 -1.75 1.75 3.13 0.46 0.00 -1.26 -4.93 105.19 102.59 1l3g n GLY 12 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.25 1.62 0.64 1.61 1.01 0.14 -5.07 120.40 118.09 1l3g s VAL 13 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1l3g s VAL 13 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1l3g s VAL 13 CO 0.00 0.46 1.03 1.51 0.00 0.00 0.00 175.10 178.10 1l3g s ASP 14 N 0.40 5.95 0.35 3.32 1.47 -1.26 0.34 116.67 127.24 1l3g s ASP 14 Ca -0.14 1.26 -0.05 0.00 1.18 0.00 0.00 52.55 54.80 1l3g s ASP 14 Cb -0.16 -2.24 0.01 0.00 -0.34 0.00 0.00 42.92 40.19 1l3g s ASP 14 CO 0.06 -1.02 0.53 0.68 0.68 0.00 0.00 175.17 176.11 1l3g s VAL 15 N -3.20 0.00 0.08 2.11 -7.23 9.57 -0.77 120.40 120.95 1l3g s VAL 15 Ca 0.56 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.31 1l3g s VAL 15 Cb -0.11 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1l3g s VAL 15 CO 0.52 0.00 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.85 1l3g s TYR 16 N -2.90 2.61 -0.16 2.82 2.02 -1.21 0.54 117.35 121.06 1l3g s TYR 16 Ca 0.28 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 1l3g s TYR 16 Cb -0.01 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1l3g s TYR 16 CO 0.19 0.34 -0.21 -1.21 -1.57 0.00 0.00 175.55 173.09 1l3g s GLU 17 N -1.82 2.98 -0.01 -0.62 2.02 4.61 -1.92 118.70 123.93 1l3g s GLU 17 Ca 0.17 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.34 1l3g s GLU 17 Cb -0.11 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1l3g s GLU 17 CO 0.09 -0.11 -0.04 -0.06 0.02 0.00 0.00 175.26 175.16 1l3g s PHE 18 N 1.05 0.39 -0.02 1.61 0.08 -0.42 0.59 117.98 121.26 1l3g s PHE 18 Ca -0.01 -0.07 -0.27 0.00 0.12 0.00 0.00 56.93 56.70 1l3g s PHE 18 Cb -0.14 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 1l3g s PHE 18 CO -0.07 -0.03 0.84 0.42 -0.10 0.00 0.00 175.22 176.29 1l3g s ILE 19 N 0.04 4.91 0.00 0.64 -1.09 -1.08 0.49 121.20 125.12 1l3g s ILE 19 Ca -0.00 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1l3g s ILE 19 Cb -0.03 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1l3g s ILE 19 CO -0.00 0.22 0.00 1.41 -1.23 0.00 0.00 174.94 175.34 1l3g n HIS 20 N 3.69 0.00 -0.21 3.97 8.25 4.42 -4.83 115.22 130.51 1l3g n HIS 20 Ca 0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 1l3g n HIS 20 Cb 0.51 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.75 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 0.94 -0.54 0.41 4.64 -1.90 -1.62 113.55 115.48 1l3g h SER 21 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1l3g h SER 21 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1l3g h SER 21 CO 0.00 0.87 0.00 0.41 -0.87 0.00 0.00 176.83 177.24 1l3g n THR 22 N -4.28 1.20 0.00 2.95 -1.04 -1.26 -4.94 114.28 106.92 1l3g n THR 22 Ca 0.06 -0.88 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1l3g n THR 22 Cb 0.21 0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 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 1.14 1.37 3.83 3.41 0.00 -0.61 -4.88 105.19 109.45 1l3g n GLY 23 Ca 0.20 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 6.94 -0.17 1.61 0.15 -1.17 0.81 113.70 117.87 1l3g s SER 24 Ca 0.00 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 1l3g s SER 24 Cb 0.00 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1l3g s SER 24 CO 0.00 0.13 -0.12 -0.63 1.20 0.00 0.00 173.24 173.82 1l3g s ILE 25 N -1.38 2.88 -0.20 6.45 1.01 1.82 -4.43 121.20 127.35 1l3g s ILE 25 Ca 0.36 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1l3g s ILE 25 Cb -0.17 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1l3g s ILE 25 CO 0.20 0.50 0.01 -0.32 0.00 0.00 0.00 174.94 175.32 1l3g s MET 26 N 0.91 3.66 0.09 2.79 1.75 -1.07 -1.30 119.30 126.13 1l3g s MET 26 Ca -0.03 -0.50 -0.03 0.00 -1.25 0.00 0.00 55.69 53.88 1l3g s MET 26 Cb -0.15 -3.11 -0.05 0.00 2.84 0.00 0.00 34.83 34.37 1l3g s MET 26 CO -0.01 0.03 0.30 0.15 -0.65 0.00 0.00 175.02 174.84 1l3g s LYS 27 N 0.95 3.54 0.12 4.11 3.01 -0.81 -4.36 119.74 126.30 1l3g s LYS 27 Ca 0.02 -0.22 -0.30 0.00 -1.01 0.00 0.00 55.97 54.46 1l3g s LYS 27 Cb -0.14 -2.96 -0.06 0.00 -1.01 0.00 0.00 37.83 33.66 1l3g s LYS 27 CO 0.02 0.55 0.95 1.03 0.51 0.00 0.00 175.35 178.41 1l3g s ARG 28 N -2.46 4.70 0.06 1.68 0.52 -0.88 -3.32 118.95 119.25 1l3g s ARG 28 Ca 0.37 1.44 -0.20 0.00 -0.52 0.00 0.00 55.73 56.81 1l3g s ARG 28 Cb -0.13 -3.37 -0.12 0.00 0.52 0.00 0.00 34.95 31.85 1l3g s ARG 28 CO 0.25 0.24 1.44 -0.22 0.02 0.00 0.00 175.30 177.02 1l3g h LYS 29 N 5.48 0.33 -0.38 3.54 3.11 -1.24 4.48 116.57 131.89 1l3g h LYS 29 Ca -0.43 -0.13 0.04 0.00 -2.81 0.00 0.00 60.65 57.32 1l3g h LYS 29 Cb 1.21 -0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 32.36 1l3g h LYS 29 CO 0.71 0.60 -0.38 0.87 -2.81 0.00 0.00 179.45 178.45 1l3g h LYS 30 N 0.03 -0.18 -0.10 1.90 1.79 -1.93 -2.95 116.57 115.13 1l3g h LYS 30 Ca 0.04 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1l3g h LYS 30 Cb 0.48 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1l3g h LYS 30 CO 0.02 -0.12 -0.01 -0.40 -1.08 0.00 0.00 179.45 177.85 1l3g n ASP 31 N -4.47 2.89 -4.01 0.86 5.68 -1.24 -5.00 116.55 111.27 1l3g n ASP 31 Ca -0.01 -3.10 -0.42 0.00 -0.50 0.00 0.00 54.79 50.75 1l3g n ASP 31 Cb 0.21 -0.48 0.02 0.00 -1.14 0.00 0.00 41.12 39.73 1l3g n ASP 31 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1l3g n ASP 32 N -1.09 -4.33 -4.87 -1.12 5.68 1.47 -4.00 116.55 108.28 1l3g n ASP 32 Ca 0.18 -1.23 -0.31 0.00 -0.50 0.00 0.00 54.79 52.93 1l3g n ASP 32 Cb 0.74 -1.75 0.01 0.00 -1.14 0.00 0.00 41.12 38.98 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1l3g s TRP 33 N -3.43 3.62 0.11 2.11 0.52 -1.00 0.18 118.94 121.05 1l3g s TRP 33 Ca 0.41 1.29 0.09 0.00 0.02 0.00 0.00 56.10 57.91 1l3g s TRP 33 Cb -0.22 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.35 1l3g s TRP 33 CO 0.96 -0.66 -0.23 0.54 0.02 0.00 0.00 176.95 177.58 1l3g s VAL 34 N -3.13 1.87 -0.63 4.03 0.11 9.07 -2.07 120.40 129.64 1l3g s VAL 34 Ca 0.55 -1.58 -0.26 0.00 -2.93 0.00 0.00 61.98 57.76 1l3g s VAL 34 Cb -0.11 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1l3g s VAL 34 CO 0.52 0.00 1.98 0.54 -3.33 0.00 0.00 175.10 174.82 1l3g s ASN 35 N -1.90 5.07 0.61 3.54 6.03 -1.26 0.60 114.94 127.62 1l3g s ASN 35 Ca 0.09 0.35 0.27 0.00 -1.03 0.00 0.00 52.86 52.53 1l3g s ASN 35 Cb -0.10 -2.53 1.22 0.00 -3.03 0.00 0.00 41.25 36.81 1l3g s ASN 35 CO 0.05 -2.55 1.64 0.00 -2.03 0.00 0.00 177.10 174.20 1l3g h ALA 36 N 15.32 2.38 -0.57 3.54 0.00 -0.70 0.26 119.26 139.49 1l3g h ALA 36 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1l3g h ALA 36 Cb 1.16 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1l3g h ALA 36 CO 1.20 -1.07 0.36 1.15 0.00 0.00 0.00 179.25 180.89 1l3g h THR 37 N 0.00 1.16 0.00 0.00 2.02 -1.82 4.81 112.91 119.08 1l3g h THR 37 Ca 0.29 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1l3g h THR 37 Cb 1.81 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1l3g h THR 37 CO -0.00 0.15 -0.27 0.45 0.37 0.00 0.00 175.52 176.22 1l3g h HIS 38 N 0.77 0.00 0.00 3.16 -0.00 -0.82 6.01 115.15 124.28 1l3g h HIS 38 Ca 0.21 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.37 1l3g h HIS 38 Cb -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1l3g h HIS 38 CO -0.03 0.27 -1.20 -0.89 -0.00 0.00 0.00 177.93 176.08 1l3g n ILE 39 N -3.88 1.52 -0.10 2.45 -0.00 -0.36 -3.33 119.36 115.66 1l3g n ILE 39 Ca -0.02 -0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.52 1l3g n ILE 39 Cb 0.35 -2.08 -0.10 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 -4.45 1.86 0.24 1.39 7.99 1.56 -3.80 117.00 121.79 1l3g n LEU 40 Ca -0.30 0.44 0.11 0.00 -0.01 0.00 0.00 56.01 56.25 1l3g n LEU 40 Cb 0.63 -0.95 0.61 0.00 -0.11 0.00 0.00 43.42 43.61 1l3g n LEU 40 CO 0.17 0.22 0.90 0.11 -1.51 0.00 0.00 177.39 177.28 1l3g h LYS 41 N -1.00 0.00 0.00 3.23 6.56 0.24 0.77 116.57 126.38 1l3g h LYS 41 Ca -0.34 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.22 1l3g h LYS 41 Cb 1.25 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1l3g h LYS 41 CO -0.20 0.18 -0.15 0.00 -2.06 0.00 0.00 179.45 177.21 1l3g h ALA 42 N 1.82 1.21 0.00 3.86 0.00 1.15 -0.99 119.26 126.32 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 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1l3g h ALA 42 CO 0.02 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1l3g n ALA 43 N -2.27 1.68 -1.60 0.00 0.00 -0.69 -4.73 120.51 112.90 1l3g n ALA 43 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1l3g n ALA 43 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.28 0.00 -1.06 0.00 0.23 0.26 -5.06 115.26 109.34 1l3g n ASN 44 Ca 0.00 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1l3g n ASN 44 Cb 0.29 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.45 -2.63 -2.53 3.72 -0.38 -4.36 117.46 110.83 1l3g n PHE 45 Ca 0.00 0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 1l3g n PHE 45 Cb 0.62 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.87 2.83 0.00 4.37 0.00 -1.26 -4.00 121.76 119.83 1l3g s ALA 46 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.84 1l3g s ALA 46 Cb 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1l3g s ALA 46 CO 0.00 -3.41 0.00 1.63 0.00 0.00 0.00 175.76 173.98 1l3g n LYS 47 N 8.60 0.00 0.15 0.00 5.02 -1.26 -4.89 118.16 125.78 1l3g n LYS 47 Ca 0.23 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.71 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 1.08 1.94 0.10 7.82 0.00 -1.95 0.33 119.26 128.58 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1l3g h ALA 48 CO 0.00 -0.65 -0.05 0.87 0.00 0.00 0.00 179.25 179.42 1l3g h LYS 49 N 0.00 -0.13 0.00 0.00 1.79 -1.88 -2.82 116.57 113.53 1l3g h LYS 49 Ca 0.15 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1l3g h LYS 49 Cb 1.12 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1l3g h LYS 49 CO -0.00 0.26 -0.04 -0.09 -1.08 0.00 0.00 179.45 178.50 1l3g h ARG 50 N -0.56 0.00 -0.37 3.15 1.12 -0.52 0.27 114.38 117.47 1l3g h ARG 50 Ca -0.01 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 1l3g h ARG 50 Cb 0.45 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1l3g h ARG 50 CO 0.02 0.04 -0.18 1.15 -3.11 0.00 0.00 179.97 177.89 1l3g h THR 51 N 0.00 1.26 0.00 0.20 2.02 -1.04 -1.15 112.91 114.20 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 0.09 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1l3g h THR 51 CO 0.00 0.41 -0.39 -1.14 0.37 0.00 0.00 175.52 174.77 1l3g n ARG 52 N -4.14 0.31 -0.25 6.66 0.63 -0.47 -2.49 116.66 116.90 1l3g n ARG 52 Ca 0.01 0.38 0.02 0.00 -0.92 0.00 0.00 57.85 57.34 1l3g n ARG 52 Cb 0.39 -1.33 0.10 0.00 0.45 0.00 0.00 32.46 32.07 1l3g n ARG 52 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1l3g h ILE 53 N -0.66 0.30 0.43 5.15 2.10 -0.67 1.36 117.51 125.51 1l3g h ILE 53 Ca 0.00 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.91 1l3g h ILE 53 Cb 0.39 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 1l3g h ILE 53 CO 0.00 0.00 -0.21 0.25 -1.08 0.00 0.00 178.15 177.12 1l3g h LEU 54 N 0.03 -0.49 -0.51 2.19 5.85 -1.35 0.71 115.31 121.74 1l3g h LEU 54 Ca 0.36 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1l3g h LEU 54 Cb 0.59 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1l3g h LEU 54 CO -0.72 -0.10 -0.00 1.05 -0.34 0.00 0.00 178.44 178.33 1l3g h GLU 55 N -0.94 0.11 -0.33 1.25 -0.00 -0.97 5.45 114.58 119.15 1l3g h GLU 55 Ca -0.06 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.36 59.14 1l3g h GLU 55 Cb 0.56 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 29.29 1l3g h GLU 55 CO 0.10 0.07 -0.39 -0.22 -0.00 0.00 0.00 179.01 178.57 1l3g h LYS 56 N 0.11 0.86 0.07 1.06 1.63 0.18 3.08 116.57 123.55 1l3g h LYS 56 Ca 0.26 -0.48 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1l3g h LYS 56 Cb 0.39 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1l3g h LYS 56 CO -0.42 1.12 -0.03 1.49 -3.45 0.00 0.00 179.45 178.15 1l3g h GLU 57 N 0.65 -0.08 0.04 1.90 4.57 0.18 -3.09 114.58 118.74 1l3g h GLU 57 Ca 0.05 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1l3g h GLU 57 Cb 0.99 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1l3g h GLU 57 CO 0.09 0.43 -0.39 -0.24 -1.18 0.00 0.00 179.01 177.73 1l3g h VAL 58 N -0.67 1.61 -0.95 0.32 3.04 1.10 -3.22 116.25 117.47 1l3g h VAL 58 Ca -0.01 -2.38 0.26 0.00 -1.01 0.00 0.00 66.70 63.56 1l3g h VAL 58 Cb 0.56 3.21 -0.17 0.00 -2.01 0.00 0.00 31.29 32.87 1l3g h VAL 58 CO 0.01 0.61 0.08 0.25 -1.01 0.00 0.00 177.57 177.52 1l3g h LEU 59 N -0.81 -0.36 -0.46 3.16 7.12 0.58 5.95 115.31 130.49 1l3g h LEU 59 Ca -0.08 0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1l3g h LEU 59 Cb 1.23 0.43 0.00 0.00 -0.53 0.00 0.00 40.66 41.79 1l3g h LEU 59 CO 0.02 -0.32 0.00 0.29 -0.13 0.00 0.00 178.44 178.30 1l3g n LYS 60 N -5.43 0.14 0.00 1.25 4.01 -1.17 -4.72 118.16 112.25 1l3g n LYS 60 Ca 0.23 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 1l3g n LYS 60 Cb 0.75 -1.76 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1l3g n GLU 61 N -2.02 3.47 -2.32 1.97 1.02 1.93 -5.01 120.64 119.67 1l3g n GLU 61 Ca 0.03 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.79 1l3g n GLU 61 Cb 0.23 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.67 1l3g n GLU 61 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1l3g n THR 62 N 0.00 4.25 -1.77 2.62 -1.04 -1.22 -4.97 114.28 112.16 1l3g n THR 62 Ca 0.00 -5.05 -0.42 0.00 -2.04 0.00 0.00 64.05 56.54 1l3g n THR 62 Cb 0.00 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 1l3g n THR 62 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1l3g s HIS 63 N -4.05 1.57 0.02 -1.42 -0.00 -1.18 -4.58 115.29 105.64 1l3g s HIS 63 Ca 0.47 -0.23 0.03 0.00 -0.00 0.00 0.00 55.06 55.33 1l3g s HIS 63 Cb 0.34 -4.14 -0.02 0.00 -0.00 0.00 0.00 32.58 28.76 1l3g s HIS 63 CO -0.27 -5.01 -0.09 -1.21 -0.00 0.00 0.00 174.74 168.16 1l3g s GLU 64 N 4.15 0.64 -0.20 -0.38 0.41 -1.25 -4.93 118.70 117.14 1l3g s GLU 64 Ca 0.83 -0.53 -0.13 0.00 -0.41 0.00 0.00 54.97 54.73 1l3g s GLU 64 Cb -0.40 -0.57 -0.05 0.00 -1.78 0.00 0.00 34.13 31.34 1l3g s GLU 64 CO 0.38 0.14 0.27 0.15 -0.49 0.00 0.00 175.26 175.71 1l3g s LYS 65 N -0.85 4.17 -0.08 1.61 1.02 -1.07 -2.13 119.74 122.41 1l3g s LYS 65 Ca -0.01 -0.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 1l3g s LYS 65 Cb -0.06 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1l3g s LYS 65 CO 0.00 0.10 0.59 0.14 -0.92 0.00 0.00 175.35 175.26 1l3g s VAL 66 N 0.92 5.09 0.01 3.17 -7.23 -0.96 -4.95 120.40 116.45 1l3g s VAL 66 Ca 0.14 1.20 -0.04 0.00 -1.81 0.00 0.00 61.98 61.46 1l3g s VAL 66 Cb -0.13 -3.93 -0.01 0.00 0.56 0.00 0.00 36.38 32.87 1l3g s VAL 66 CO 0.05 0.31 0.07 -1.10 -0.31 0.00 0.00 175.10 174.12 1l3g s GLN 67 N 0.58 0.44 0.00 4.82 -1.52 -1.26 -4.31 119.66 118.41 1l3g s GLN 67 Ca 0.32 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.20 1l3g s GLN 67 Cb -0.17 0.17 0.00 0.00 -0.22 0.00 0.00 33.01 32.80 1l3g s GLN 67 CO 0.15 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.50 1l3g n GLY 68 N 1.41 0.82 0.00 3.09 0.00 -1.26 -3.81 105.19 105.44 1l3g n GLY 68 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.68 3.28 -0.02 0.00 -1.26 -5.02 105.19 100.84 1l3g n GLY 69 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1l3g n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1l3g n PHE 70 N -1.86 4.86 -0.55 1.61 3.72 -1.25 -4.39 117.46 119.60 1l3g n PHE 70 Ca 0.00 -3.78 0.00 0.00 -0.05 0.00 0.00 57.45 53.62 1l3g n PHE 70 Cb 0.00 -1.61 0.00 0.00 -0.94 0.00 0.00 39.48 36.93 1l3g n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1l3g n GLY 71 N 2.47 0.98 0.11 1.37 0.00 -1.26 -4.36 105.19 104.50 1l3g n GLY 71 Ca 0.24 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.87 0.19 0.17 1.61 0.00 -1.26 -1.61 118.16 115.38 1l3g n LYS 72 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 58.31 58.72 1l3g n LYS 72 Cb 0.08 -1.81 0.08 0.00 0.00 0.00 0.00 35.03 33.38 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 0.04 5.64 -1.99 -1.90 -3.33 116.97 115.43 1l3g h TYR 73 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 1l3g h TYR 73 Cb 0.45 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.13 1l3g h TYR 73 CO 0.00 0.30 -1.97 1.04 -0.00 0.00 0.00 178.16 177.52 1l3g n GLN 74 N -3.17 0.64 0.00 4.88 3.00 -0.81 -4.64 117.38 117.28 1l3g n GLN 74 Ca 0.03 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1l3g n GLN 74 Cb 0.65 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.25 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 1.70 1.52 3.06 1.08 0.00 -0.64 -4.15 105.19 107.77 1l3g n GLY 75 Ca -0.40 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1l3g n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l3g n THR 76 N 0.00 5.18 -1.62 2.61 -1.04 -0.91 -2.27 114.28 116.24 1l3g n THR 76 Ca 0.00 -5.84 -0.31 0.00 -2.04 0.00 0.00 64.05 55.87 1l3g n THR 76 Cb 0.00 -2.17 0.06 0.00 -1.82 0.00 0.00 70.33 66.41 1l3g n THR 76 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 1l3g s TRP 77 N -2.54 3.07 0.17 -1.42 -2.14 -1.21 -0.02 118.94 114.86 1l3g s TRP 77 Ca 0.31 1.28 -0.02 0.00 2.66 0.00 0.00 56.10 60.33 1l3g s TRP 77 Cb 0.02 -2.97 -0.04 0.00 -3.10 0.00 0.00 33.47 27.39 1l3g s TRP 77 CO 0.07 -1.38 0.13 0.14 -2.66 0.00 0.00 176.95 173.25 1l3g s VAL 78 N -3.12 0.05 -0.19 -0.66 -7.23 2.52 -3.82 120.40 107.94 1l3g s VAL 78 Ca 0.59 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 1l3g s VAL 78 Cb -0.14 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 1l3g s VAL 78 CO 0.54 -0.22 2.17 -0.81 -0.31 0.00 0.00 175.10 176.47 1l3g n PRO 79 N -0.20 1.98 -0.15 4.82 -0.04 -1.26 1.16 135.00 141.31 1l3g n PRO 79 Ca -0.02 0.59 0.29 0.00 -0.04 0.00 0.00 63.50 64.31 1l3g n PRO 79 Cb 0.65 -3.08 0.71 0.00 -0.04 0.00 0.00 33.50 31.74 1l3g n PRO 79 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1l3g h LEU 80 N 13.81 0.00 -1.39 1.53 -0.00 0.18 1.84 115.31 131.29 1l3g h LEU 80 Ca -0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.42 1l3g h LEU 80 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 1l3g h LEU 80 CO 0.96 0.00 -0.16 -0.55 -0.00 0.00 0.00 178.44 178.69 1l3g h ASN 81 N 0.00 0.19 0.00 0.17 -1.07 -1.85 -1.85 115.58 111.17 1l3g h ASN 81 Ca 0.41 -0.04 -0.24 0.00 0.07 0.00 0.00 56.30 56.50 1l3g h ASN 81 Cb 1.84 -0.05 -0.04 0.00 -2.07 0.00 0.00 38.32 37.99 1l3g h ASN 81 CO -0.00 0.38 -1.90 -0.38 0.07 0.00 0.00 177.43 175.59 1l3g n ILE 82 N -4.26 0.90 0.34 6.14 5.41 0.24 -4.22 119.36 123.92 1l3g n ILE 82 Ca -0.01 -0.52 -0.16 0.00 1.00 0.00 0.00 62.75 63.06 1l3g n ILE 82 Cb 0.28 -0.72 -0.08 0.00 -0.71 0.00 0.00 39.64 38.41 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 0.54 -0.89 -0.56 -1.39 0.00 0.24 -1.29 119.26 115.91 1l3g h ALA 83 Ca -0.36 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.45 1l3g h ALA 83 Cb 1.77 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1l3g h ALA 83 CO 0.01 -0.89 0.38 1.57 0.00 0.00 0.00 179.25 180.31 1l3g h LYS 84 N -1.09 0.30 0.00 0.00 5.09 -1.52 0.28 116.57 119.63 1l3g h LYS 84 Ca -0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 60.65 60.54 1l3g h LYS 84 Cb 0.72 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.97 1l3g h LYS 84 CO 0.15 0.20 -0.42 0.37 -2.09 0.00 0.00 179.45 177.65 1l3g h GLN 85 N 0.31 0.00 0.13 0.07 4.15 -1.67 0.54 115.11 118.64 1l3g h GLN 85 Ca 0.26 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.40 1l3g h GLN 85 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1l3g h GLN 85 CO -0.06 0.42 -1.44 1.25 -1.93 0.00 0.00 178.83 177.07 1l3g h LEU 86 N 0.00 0.43 0.00 -2.39 6.46 0.52 -3.37 115.31 116.97 1l3g h LEU 86 Ca -0.00 -0.88 -0.01 0.00 -0.12 0.00 0.00 57.88 56.87 1l3g h LEU 86 Cb 0.88 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1l3g h LEU 86 CO 0.06 1.64 -0.37 0.00 -0.62 0.00 0.00 178.44 179.15 1l3g h ALA 87 N -0.01 0.02 -0.63 1.25 0.00 -0.59 -3.34 119.26 115.96 1l3g h ALA 87 Ca -0.30 -0.38 0.18 0.00 0.00 0.00 0.00 54.91 54.41 1l3g h ALA 87 Cb 1.82 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1l3g h ALA 87 CO 0.09 0.33 0.90 -0.85 0.00 0.00 0.00 179.25 179.71 1l3g n GLU 88 N -4.66 0.01 0.00 0.00 0.28 0.19 -0.96 120.64 115.51 1l3g n GLU 88 Ca -0.06 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.70 1l3g n GLU 88 Cb 0.21 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.15 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 -2.62 0.00 -0.02 3.44 4.81 -1.25 -3.78 118.16 118.74 1l3g n LYS 89 Ca 0.14 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.64 1l3g n LYS 89 Cb 1.09 -0.03 0.06 0.00 0.02 0.00 0.00 35.03 36.17 1l3g n LYS 89 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1l3g n PHE 90 N 0.00 0.05 0.00 5.64 -0.00 -1.10 -4.08 117.46 117.97 1l3g n PHE 90 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 1l3g n PHE 90 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1l3g n PHE 90 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1l3g n SER 91 N 0.68 0.00 -0.05 -2.13 7.64 -0.13 -4.63 113.62 115.00 1l3g n SER 91 Ca 0.08 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.35 1l3g n SER 91 Cb 0.32 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.23 1.01 -0.49 0.44 0.24 -0.96 -4.34 118.33 113.01 1l3g n VAL 92 Ca 0.00 -1.02 0.40 0.00 -2.04 0.00 0.00 64.34 61.68 1l3g n VAL 92 Cb 0.00 0.49 0.61 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.44 0.00 -0.07 6.34 0.18 -1.13 -0.38 117.16 121.65 1l3g n TYR 93 Ca 0.01 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.72 1l3g n TYR 93 Cb 0.27 -0.37 -0.03 0.00 -0.38 0.00 0.00 39.34 38.83 1l3g n TYR 93 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1l3g n ASP 94 N -3.46 1.81 -0.16 9.48 5.75 -1.26 -4.09 116.55 124.62 1l3g n ASP 94 Ca 0.33 0.61 -0.02 0.00 -0.01 0.00 0.00 54.79 55.70 1l3g n ASP 94 Cb 1.64 -0.88 0.06 0.00 -1.03 0.00 0.00 41.12 40.90 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1l3g h GLN 95 N -1.00 0.11 -1.76 0.11 4.20 -1.24 0.05 115.11 115.57 1l3g h GLN 95 Ca -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1l3g h GLN 95 Cb 0.60 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1l3g h GLN 95 CO -0.03 0.07 0.01 1.28 -0.67 0.00 0.00 178.83 179.49 1l3g n LEU 96 N -5.24 4.84 0.17 1.46 4.77 0.49 -4.49 117.00 119.00 1l3g n LEU 96 Ca 0.05 -2.22 -0.17 0.00 -0.03 0.00 0.00 56.01 53.65 1l3g n LEU 96 Cb 0.27 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 1l3g n LEU 96 CO 0.15 0.90 0.54 0.11 -1.33 0.00 0.00 177.39 177.76 1l3g h LYS 97 N 0.78 -0.78 0.40 3.23 1.57 -1.13 0.28 116.57 120.93 1l3g h LYS 97 Ca 0.01 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1l3g h LYS 97 Cb 1.00 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1l3g h LYS 97 CO 0.02 -0.52 -0.19 -1.00 -0.57 0.00 0.00 179.45 177.18 1l3g h PRO 98 N -0.81 -0.52 -0.95 3.15 0.13 -1.86 0.17 132.00 131.31 1l3g h PRO 98 Ca -0.02 0.04 0.30 0.00 -0.87 0.00 0.00 66.00 65.45 1l3g h PRO 98 Cb 0.78 0.12 -0.16 0.00 0.13 0.00 0.00 31.00 31.86 1l3g h PRO 98 CO -0.21 -0.33 0.29 1.25 -0.23 0.00 0.00 178.00 178.77 1l3g h LEU 99 N -1.13 0.01 -0.22 1.56 5.85 -1.81 1.37 115.31 120.93 1l3g h LEU 99 Ca -0.06 0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1l3g h LEU 99 Cb 0.43 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1l3g h LEU 99 CO 0.09 -0.27 -0.66 -0.26 -0.34 0.00 0.00 178.44 177.00 1l3g h PHE 100 N 0.12 0.00 0.00 1.25 0.04 -0.47 -3.06 116.94 114.82 1l3g h PHE 100 Ca 0.66 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.43 1l3g h PHE 100 Cb 1.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1l3g h PHE 100 CO -0.24 0.66 0.00 -0.44 -0.60 0.00 0.00 178.31 177.69 1l3g h ASP 101 N 0.00 0.00 0.00 2.17 3.32 0.39 -3.44 116.42 118.87 1l3g h ASP 101 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1l3g h ASP 101 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1l3g h ASP 101 CO 0.09 0.00 0.00 0.33 -1.72 0.00 0.00 179.24 177.94 1l3g n PHE 102 N -2.57 0.00 -0.00 4.55 7.35 -0.46 -5.05 117.46 121.27 1l3g n PHE 102 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1l3g n PHE 102 Cb 0.23 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.06 1l3g n PHE 102 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1l3g n THR 103 N 0.00 0.00 -4.09 -2.13 -1.04 -1.22 -4.61 114.28 101.19 1l3g n THR 103 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1l3g n THR 103 Cb 0.00 0.17 -0.05 0.00 -1.82 0.00 0.00 70.33 68.63 1l3g n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l3g s GLN 104 N 0.00 2.62 0.27 -2.82 -2.07 -1.26 -5.06 119.66 111.33 1l3g s GLN 104 Ca 0.00 -1.30 -0.01 0.00 -1.82 0.00 0.00 55.36 52.23 1l3g s GLN 104 Cb 0.00 -2.37 -0.04 0.00 -1.09 0.00 0.00 33.01 29.51 1l3g s GLN 104 CO 0.00 0.27 0.48 0.95 -1.32 0.00 0.00 175.29 175.66 1l3g s THR 105 N -2.28 5.13 -0.64 3.63 -4.23 -1.26 -4.89 115.64 111.10 1l3g s THR 105 Ca 0.35 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1l3g s THR 105 Cb -0.06 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1l3g s THR 105 CO 0.24 -0.33 0.00 -0.90 -0.54 0.00 0.00 174.62 173.09 1l3g n ASP 106 N -1.08 0.00 0.00 3.99 5.75 -1.26 -4.44 116.55 119.51 1l3g n ASP 106 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1l3g n ASP 106 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1l3g n GLY 107 N 0.56 2.43 3.88 6.12 0.00 -1.26 -5.02 105.19 111.90 1l3g n GLY 107 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1l3g n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l3g s SER 108 N -2.23 6.56 -0.28 1.61 1.04 -1.26 -4.91 113.70 114.23 1l3g s SER 108 Ca 0.00 0.90 -0.25 0.00 0.48 0.00 0.00 55.95 57.08 1l3g s SER 108 Cb 0.00 -2.22 -0.11 0.00 0.10 0.00 0.00 66.02 63.79 1l3g s SER 108 CO 0.00 -0.17 1.04 0.00 0.98 0.00 0.00 173.24 175.09 1l3g n ALA 109 N -0.59 -0.29 -3.87 5.32 0.00 -1.26 -4.86 120.51 114.96 1l3g n ALA 109 Ca 0.00 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1l3g n ALA 109 Cb 0.53 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 1l3g n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l3g s SER 110 N 2.54 3.67 0.45 0.00 0.15 -1.26 -5.02 113.70 114.23 1l3g s SER 110 Ca 0.63 -0.60 -0.25 0.00 0.70 0.00 0.00 55.95 56.42 1l3g s SER 110 Cb -0.83 -1.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1l3g s SER 110 CO 0.41 -0.02 1.40 -2.65 1.20 0.00 0.00 173.24 173.57 1l3g n PRO 111 N 4.68 2.17 -1.69 5.44 -0.02 -1.26 -4.89 135.00 139.43 1l3g n PRO 111 Ca -0.19 0.77 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 1l3g n PRO 111 Cb 0.50 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 1l3g n PRO 111 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1l3g n PRO 112 N -0.19 2.16 0.21 0.52 -0.02 -1.26 -4.91 135.00 131.52 1l3g n PRO 112 Ca 0.06 0.77 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1l3g n PRO 112 Cb 0.41 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 1l3g n PRO 112 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1l3g h PRO 113 N 3.79 -0.70 -7.08 0.52 0.13 -1.88 -3.43 132.00 123.35 1l3g h PRO 113 Ca -0.46 0.05 -0.42 0.00 -0.87 0.00 0.00 66.00 64.30 1l3g h PRO 113 Cb 1.27 0.16 0.22 0.00 0.13 0.00 0.00 31.00 32.78 1l3g h PRO 113 CO 0.72 -0.46 -0.06 0.00 -0.23 0.00 0.00 178.00 177.97 1l3g n ALA 114 N -2.67 -3.52 -1.86 -0.56 0.00 -1.26 -4.81 120.51 105.83 1l3g n ALA 114 Ca -0.09 -1.38 -0.42 0.00 0.00 0.00 0.00 53.44 51.54 1l3g n ALA 114 Cb 0.36 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 1l3g n ALA 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1l3g s PRO 115 N -4.50 4.18 0.38 0.00 0.04 -1.26 -4.92 135.00 128.92 1l3g s PRO 115 Ca 0.69 2.42 -0.04 0.00 0.04 0.00 0.00 61.00 64.10 1l3g s PRO 115 Cb -0.24 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 1l3g s PRO 115 CO 0.64 -0.78 0.66 0.21 0.04 0.00 0.00 177.00 177.78 1l3g s LYS 116 N 2.80 3.59 -0.19 4.56 2.20 -1.26 -5.08 119.74 126.35 1l3g s LYS 116 Ca 0.77 0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 56.39 1l3g s LYS 116 Cb -0.41 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1l3g s LYS 116 CO 0.34 0.02 -0.03 -3.38 -0.36 0.00 0.00 175.35 171.94 1l3g s HIS 117 N -2.40 2.98 0.35 4.03 -3.43 -1.26 -5.09 115.29 110.46 1l3g s HIS 117 Ca 0.45 -0.62 -0.26 0.00 -0.80 0.00 0.00 55.06 53.83 1l3g s HIS 117 Cb -0.10 -2.05 -0.09 0.00 -1.43 0.00 0.00 32.58 28.91 1l3g s HIS 117 CO 0.37 -0.32 1.04 -1.01 -2.00 0.00 0.00 174.74 172.81 1l3g s HIS 118 N 1.02 3.47 -0.74 0.38 0.09 -1.26 -4.93 115.29 113.31 1l3g s HIS 118 Ca 0.01 1.70 -0.26 0.00 -0.00 0.00 0.00 55.06 56.51 1l3g s HIS 118 Cb -0.15 -3.12 -0.03 0.00 -0.00 0.00 0.00 32.58 29.29 1l3g s HIS 118 CO 0.01 -0.38 1.86 -1.58 -0.00 0.00 0.00 174.74 174.64 1l3g s HIS 119 N -1.50 1.77 0.42 1.40 2.46 -1.26 -4.96 115.29 113.62 1l3g s HIS 119 Ca 0.52 0.64 -0.02 0.00 0.47 0.00 0.00 55.06 56.67 1l3g s HIS 119 Cb -0.24 -4.12 -0.03 0.00 -0.13 0.00 0.00 32.58 28.06 1l3g s HIS 119 CO 0.30 -2.07 0.67 0.00 -2.47 0.00 0.00 174.74 171.17 1l3g s ALA 120 N 9.19 3.57 -0.62 1.58 0.00 -1.26 -5.02 121.76 129.20 1l3g s ALA 120 Ca 0.66 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1l3g s ALA 120 Cb -0.10 -2.32 0.06 0.00 0.00 0.00 0.00 23.12 20.76 1l3g s ALA 120 CO 0.11 -0.21 0.97 0.45 0.00 0.00 0.00 175.76 177.07 1l3g s SER 121 N -4.09 6.24 -0.65 0.00 0.15 -1.26 -4.97 113.70 109.11 1l3g s SER 121 Ca 0.44 -0.71 -0.06 0.00 0.70 0.00 0.00 55.95 56.33 1l3g s SER 121 Cb -0.10 -2.43 0.17 0.00 -1.71 0.00 0.00 66.02 61.95 1l3g s SER 121 CO 0.40 -1.37 0.50 -0.54 1.20 0.00 0.00 173.24 173.43 1l3g s LYS 122 N 4.09 2.78 -0.47 5.44 -0.14 -1.26 -5.03 119.74 125.14 1l3g s LYS 122 Ca 0.26 -2.44 -0.27 0.00 -1.36 0.00 0.00 55.97 52.15 1l3g s LYS 122 Cb -0.15 -3.90 -0.02 0.00 -1.68 0.00 0.00 37.83 32.09 1l3g s LYS 122 CO 0.14 -1.20 1.82 0.14 -0.76 0.00 0.00 175.35 175.49 1l3g s VAL 123 N 0.12 3.43 -2.51 3.17 -7.23 -1.26 -5.33 120.40 110.80 1l3g s VAL 123 Ca 0.16 0.37 0.28 0.00 -1.81 0.00 0.00 61.98 60.98 1l3g s VAL 123 Cb -0.18 -3.79 0.54 0.00 0.56 0.00 0.00 36.38 33.51 1l3g s VAL 123 CO -0.04 -0.65 1.74 -0.90 -0.31 0.00 0.00 175.10 174.93