#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 3.81 -3.35 6.43 5.03 -1.26 -4.70 115.26 121.22 1l3g n ASN 3 Ca 0.00 -2.30 -0.23 0.00 0.87 0.00 0.00 54.58 52.92 1l3g n ASN 3 Cb 0.00 -0.50 0.18 0.00 -1.02 0.00 0.00 39.78 38.45 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1l3g n GLN 4 N 0.92 -2.22 -3.60 3.52 6.02 -1.26 -4.68 117.38 116.08 1l3g n GLN 4 Ca 0.21 -1.41 -0.39 0.00 -0.01 0.00 0.00 57.00 55.39 1l3g n GLN 4 Cb 0.70 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 1l3g n GLN 4 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1l3g s ILE 5 N -2.71 4.34 1.08 5.09 1.09 -1.26 -4.13 121.20 124.69 1l3g s ILE 5 Ca 0.55 -2.94 -0.12 0.00 -1.10 0.00 0.00 60.65 57.05 1l3g s ILE 5 Cb -0.04 -3.76 0.24 0.00 -1.06 0.00 0.00 42.46 37.84 1l3g s ILE 5 CO 0.42 -0.95 1.06 -0.31 -0.10 0.00 0.00 174.94 175.06 1l3g s TYR 6 N -0.16 1.57 0.06 3.97 2.02 0.51 -4.70 117.35 120.62 1l3g s TYR 6 Ca 0.19 1.28 0.08 0.00 -0.37 0.00 0.00 57.07 58.24 1l3g s TYR 6 Cb -0.16 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.20 1l3g s TYR 6 CO -0.06 -3.45 -0.18 -1.54 -1.57 0.00 0.00 175.55 168.76 1l3g s SER 7 N -2.73 3.83 0.01 2.29 1.04 -1.26 0.34 113.70 117.22 1l3g s SER 7 Ca 0.67 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 1l3g s SER 7 Cb -0.23 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 1l3g s SER 7 CO 0.62 0.23 0.02 0.00 0.98 0.00 0.00 173.24 175.10 1l3g s ALA 8 N -0.99 -0.03 -0.17 5.32 0.00 6.71 -0.69 121.76 131.91 1l3g s ALA 8 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1l3g s ALA 8 Cb -0.11 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1l3g s ALA 8 CO 0.07 -0.13 0.35 0.50 0.00 0.00 0.00 175.76 176.54 1l3g s ARG 9 N -1.03 0.25 0.25 0.00 6.06 -1.21 0.99 118.95 124.25 1l3g s ARG 9 Ca -0.11 0.87 -0.04 0.00 -2.50 0.00 0.00 55.73 53.95 1l3g s ARG 9 Cb -0.07 0.10 -0.02 0.00 0.06 0.00 0.00 34.95 35.01 1l3g s ARG 9 CO -0.00 -0.30 0.29 1.52 -2.50 0.00 0.00 175.30 174.31 1l3g s TYR 10 N 2.52 0.99 -1.16 5.12 -0.85 0.16 -4.86 117.35 119.28 1l3g s TYR 10 Ca 0.01 -1.22 -0.02 0.00 -0.52 0.00 0.00 57.07 55.32 1l3g s TYR 10 Cb -0.12 -0.30 0.01 0.00 0.38 0.00 0.00 41.96 41.93 1l3g s TYR 10 CO -0.11 -0.83 0.13 0.45 -1.52 0.00 0.00 175.55 173.66 1l3g n SER 11 N -0.59 -4.11 0.00 -0.18 2.88 -1.26 0.94 113.62 111.30 1l3g n SER 11 Ca 0.01 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1l3g n SER 11 Cb 0.64 -3.46 0.00 0.00 -0.75 0.00 0.00 64.21 60.64 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 -0.93 2.86 3.87 0.46 0.00 -1.26 -4.98 105.19 105.22 1l3g n GLY 12 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1l3g n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l3g s VAL 13 N -1.67 4.84 -0.22 1.61 -7.23 0.27 -5.07 120.40 112.93 1l3g s VAL 13 Ca 0.00 0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 60.70 1l3g s VAL 13 Cb 0.00 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 1l3g s VAL 13 CO 0.00 -0.27 -0.01 -0.62 -0.31 0.00 0.00 175.10 173.89 1l3g s ASP 14 N -2.69 4.63 0.25 4.85 2.15 -1.26 0.41 116.67 125.00 1l3g s ASP 14 Ca 0.50 -0.29 0.02 0.00 0.43 0.00 0.00 52.55 53.21 1l3g s ASP 14 Cb -0.11 -1.80 -0.05 0.00 -0.30 0.00 0.00 42.92 40.66 1l3g s ASP 14 CO 0.24 0.01 0.06 0.68 -0.17 0.00 0.00 175.17 175.99 1l3g s VAL 15 N 1.30 0.75 0.11 1.11 -7.23 6.59 0.24 120.40 123.26 1l3g s VAL 15 Ca 0.04 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1l3g s VAL 15 Cb -0.15 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1l3g s VAL 15 CO 0.00 -0.14 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.30 1l3g s TYR 16 N -3.62 2.86 -0.24 2.82 1.51 -1.19 1.00 117.35 120.50 1l3g s TYR 16 Ca 0.34 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.32 1l3g s TYR 16 Cb 0.07 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.51 1l3g s TYR 16 CO 0.11 0.46 -0.13 -1.83 -1.11 0.00 0.00 175.55 173.05 1l3g s GLU 17 N -2.38 2.49 0.00 -0.62 4.04 1.06 -2.19 118.70 121.10 1l3g s GLU 17 Ca 0.24 -1.18 0.03 0.00 0.04 0.00 0.00 54.97 54.10 1l3g s GLU 17 Cb -0.11 -2.80 -0.01 0.00 0.02 0.00 0.00 34.13 31.23 1l3g s GLU 17 CO 0.16 -0.46 -0.09 -0.59 -1.84 0.00 0.00 175.26 172.45 1l3g s PHE 18 N 1.17 0.78 0.03 4.83 -0.71 -0.61 0.19 117.98 123.66 1l3g s PHE 18 Ca -0.04 -0.19 -0.29 0.00 -1.04 0.00 0.00 56.93 55.37 1l3g s PHE 18 Cb -0.18 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 1l3g s PHE 18 CO -0.07 -0.01 0.95 0.42 -1.34 0.00 0.00 175.22 175.16 1l3g s ILE 19 N -0.34 4.78 0.00 -4.49 1.09 -1.01 0.56 121.20 121.79 1l3g s ILE 19 Ca 0.02 2.00 0.00 0.00 -1.10 0.00 0.00 60.65 61.57 1l3g s ILE 19 Cb -0.04 -4.29 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1l3g s ILE 19 CO -0.00 0.22 0.00 1.41 -0.10 0.00 0.00 174.94 176.47 1l3g n HIS 20 N 3.55 0.00 -0.29 3.97 8.25 3.86 -4.83 115.22 129.73 1l3g n HIS 20 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1l3g n HIS 20 Cb 0.50 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.68 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1l3g h SER 21 N 0.00 1.06 -0.57 0.41 0.02 -1.91 -1.72 113.55 110.84 1l3g h SER 21 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1l3g h SER 21 Cb 0.00 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1l3g h SER 21 CO 0.00 0.93 0.00 1.07 -1.14 0.00 0.00 176.83 177.69 1l3g n THR 22 N -4.32 1.10 0.00 -2.27 5.66 -1.26 -5.01 114.28 108.18 1l3g n THR 22 Ca 0.07 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 1l3g n THR 22 Cb 0.17 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1l3g n THR 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1l3g n GLY 23 N 1.24 1.35 3.75 1.09 0.00 -0.65 -4.88 105.19 107.09 1l3g n GLY 23 Ca 0.20 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 7.48 -0.16 1.61 0.15 -1.14 0.76 113.70 118.38 1l3g s SER 24 Ca 0.00 1.76 -0.01 0.00 0.70 0.00 0.00 55.95 58.40 1l3g s SER 24 Cb 0.00 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1l3g s SER 24 CO 0.00 0.06 -0.11 -0.63 1.20 0.00 0.00 173.24 173.76 1l3g s ILE 25 N -0.56 3.01 -0.13 6.45 1.01 2.27 -4.58 121.20 128.67 1l3g s ILE 25 Ca 0.42 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1l3g s ILE 25 Cb -0.24 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 39.94 1l3g s ILE 25 CO 0.29 0.50 -0.22 -0.04 0.00 0.00 0.00 174.94 175.46 1l3g s MET 26 N 0.82 3.01 0.33 2.79 -1.94 -0.93 -1.57 119.30 121.81 1l3g s MET 26 Ca -0.04 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.16 1l3g s MET 26 Cb -0.15 -2.40 -0.02 0.00 2.01 0.00 0.00 34.83 34.26 1l3g s MET 26 CO 0.01 0.01 0.34 -1.59 -0.01 0.00 0.00 175.02 173.78 1l3g s LYS 27 N 0.75 2.89 0.02 2.03 0.00 -1.21 -4.26 119.74 119.96 1l3g s LYS 27 Ca -0.09 -1.17 -0.26 0.00 0.00 0.00 0.00 55.97 54.45 1l3g s LYS 27 Cb -0.16 -2.61 -0.05 0.00 0.00 0.00 0.00 37.83 35.02 1l3g s LYS 27 CO -0.00 0.12 0.83 0.50 0.00 0.00 0.00 175.35 176.79 1l3g s ARG 28 N -4.04 4.53 0.12 1.78 6.06 -0.35 -3.58 118.95 123.47 1l3g s ARG 28 Ca 0.41 1.16 -0.16 0.00 -2.50 0.00 0.00 55.73 54.64 1l3g s ARG 28 Cb -0.07 -3.40 -0.03 0.00 0.06 0.00 0.00 34.95 31.50 1l3g s ARG 28 CO 0.28 0.16 1.56 -0.22 -2.50 0.00 0.00 175.30 174.58 1l3g h LYS 29 N 6.11 0.64 -0.06 5.12 1.63 0.26 9.89 116.57 140.16 1l3g h LYS 29 Ca -0.43 -0.20 0.02 0.00 -0.85 0.00 0.00 60.65 59.20 1l3g h LYS 29 Cb 1.21 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.72 1l3g h LYS 29 CO 0.73 0.74 -0.53 0.87 -3.45 0.00 0.00 179.45 177.81 1l3g h LYS 30 N 0.46 -0.60 -0.15 1.90 1.57 -1.93 -3.13 116.57 114.68 1l3g h LYS 30 Ca 0.10 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1l3g h LYS 30 Cb 0.45 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1l3g h LYS 30 CO 0.02 -0.40 0.00 -3.47 -0.57 0.00 0.00 179.45 175.03 1l3g n ASP 31 N -5.39 2.48 -3.73 0.86 -0.08 -1.22 -5.00 116.55 104.47 1l3g n ASP 31 Ca -0.07 -2.13 -0.28 0.00 -1.51 0.00 0.00 54.79 50.81 1l3g n ASP 31 Cb 0.38 -0.15 0.03 0.00 2.34 0.00 0.00 41.12 43.72 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 -0.17 -3.47 -4.83 1.67 9.92 3.13 -3.66 116.55 119.14 1l3g n ASP 32 Ca 0.07 -0.97 -0.31 0.00 -0.53 0.00 0.00 54.79 53.05 1l3g n ASP 32 Cb 0.38 -3.50 0.04 0.00 -0.64 0.00 0.00 41.12 37.39 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 -3.61 3.18 0.05 1.24 0.51 -0.97 0.18 118.94 119.52 1l3g s TRP 33 Ca 0.28 1.42 0.06 0.00 -2.12 0.00 0.00 56.10 55.73 1l3g s TRP 33 Cb -0.10 -2.87 -0.02 0.00 -0.81 0.00 0.00 33.47 29.67 1l3g s TRP 33 CO 0.85 -1.12 -0.16 0.08 -0.51 0.00 0.00 176.95 176.10 1l3g s VAL 34 N -2.98 1.28 -0.55 4.03 1.01 8.03 -1.21 120.40 130.02 1l3g s VAL 34 Ca 0.58 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1l3g s VAL 34 Cb -0.14 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 1l3g s VAL 34 CO 0.52 0.03 2.25 0.20 0.00 0.00 0.00 175.10 178.10 1l3g s ASN 35 N -1.25 4.64 0.53 3.32 0.01 -1.24 1.24 114.94 122.19 1l3g s ASN 35 Ca 0.03 0.78 0.25 0.00 -0.71 0.00 0.00 52.86 53.21 1l3g s ASN 35 Cb -0.08 -2.51 0.86 0.00 0.41 0.00 0.00 41.25 39.93 1l3g s ASN 35 CO 0.02 -2.81 1.16 0.00 -1.51 0.00 0.00 177.10 173.96 1l3g n ALA 36 N 15.21 0.95 -0.14 0.60 0.00 6.02 0.12 120.51 143.27 1l3g n ALA 36 Ca 0.33 0.33 -0.08 0.00 0.00 0.00 0.00 53.44 54.02 1l3g n ALA 36 Cb 0.53 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 1.11 0.00 0.00 2.02 -1.85 5.52 112.91 119.71 1l3g h THR 37 Ca 0.47 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 1l3g h THR 37 Cb 2.66 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1l3g h THR 37 CO -0.00 0.11 -0.24 -0.74 0.37 0.00 0.00 175.52 175.02 1l3g h HIS 38 N 0.57 0.00 0.00 3.16 6.17 0.61 9.79 115.15 135.45 1l3g h HIS 38 Ca 0.15 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 61.09 1l3g h HIS 38 Cb -0.06 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 1l3g h HIS 38 CO -0.04 0.24 -1.00 -0.89 0.71 0.00 0.00 177.93 176.94 1l3g n ILE 39 N -4.08 1.49 -0.11 6.26 -0.00 -0.39 -3.53 119.36 119.01 1l3g n ILE 39 Ca -0.02 0.06 -0.22 0.00 -0.00 0.00 0.00 62.75 62.57 1l3g n ILE 39 Cb 0.30 -2.18 -0.11 0.00 -0.00 0.00 0.00 39.64 37.66 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 -4.50 1.86 0.25 1.39 7.99 1.79 -3.82 117.00 121.96 1l3g n LEU 40 Ca -0.23 0.42 0.11 0.00 -0.01 0.00 0.00 56.01 56.31 1l3g n LEU 40 Cb 0.52 -0.95 0.63 0.00 -0.11 0.00 0.00 43.42 43.51 1l3g n LEU 40 CO 0.15 0.27 0.91 0.50 -1.51 0.00 0.00 177.39 177.72 1l3g h LYS 41 N -1.00 0.00 0.00 3.23 3.64 0.19 0.18 116.57 122.82 1l3g h LYS 41 Ca -0.37 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1l3g h LYS 41 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1l3g h LYS 41 CO -0.22 0.17 -0.16 0.00 -2.27 0.00 0.00 179.45 176.96 1l3g h ALA 42 N 1.83 1.01 -0.00 5.00 0.00 2.07 -0.32 119.26 128.84 1l3g h ALA 42 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1l3g h ALA 42 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1l3g h ALA 42 CO 0.02 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1l3g n ALA 43 N -2.18 2.06 0.00 0.00 0.00 -0.68 -4.80 120.51 114.91 1l3g n ALA 43 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1l3g n ALA 43 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.43 0.15 0.00 0.00 0.23 0.55 -5.06 115.26 110.70 1l3g n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1l3g n ASN 44 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 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 -1.65 0.00 -2.86 -2.53 3.72 -0.14 -4.87 117.46 109.13 1l3g n PHE 45 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1l3g n PHE 45 Cb 0.02 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.07 3.20 0.00 4.37 0.00 -1.26 -3.69 121.76 122.30 1l3g s ALA 46 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 49.60 1l3g s ALA 46 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1l3g s ALA 46 CO 0.00 -2.97 0.00 1.17 0.00 0.00 0.00 175.76 173.96 1l3g n LYS 47 N 7.24 0.00 -0.03 0.00 4.81 -1.26 -4.87 118.16 124.05 1l3g n LYS 47 Ca 0.14 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.82 1l3g n LYS 47 Cb 0.48 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.25 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 2.46 0.01 3.14 0.00 -2.00 0.35 119.26 124.52 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 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1l3g h ALA 48 CO 0.00 -0.89 -0.01 0.87 0.00 0.00 0.00 179.25 179.23 1l3g h LYS 49 N 0.00 -0.02 0.00 0.00 1.57 -1.93 -2.80 116.57 113.39 1l3g h LYS 49 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1l3g h LYS 49 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 1l3g h LYS 49 CO -0.00 0.41 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.16 1l3g h ARG 50 N -0.45 0.00 -0.26 3.15 1.12 -0.46 0.49 114.38 117.98 1l3g h ARG 50 Ca -0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.74 1l3g h ARG 50 Cb 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1l3g h ARG 50 CO 0.00 0.04 -0.38 1.15 -3.11 0.00 0.00 179.97 177.67 1l3g h THR 51 N 0.00 1.29 0.00 0.20 2.02 -0.92 -1.10 112.91 114.40 1l3g h THR 51 Ca -0.00 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1l3g h THR 51 Cb 0.09 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1l3g h THR 51 CO 0.01 0.49 -0.22 -1.14 0.37 0.00 0.00 175.52 175.02 1l3g n ARG 52 N -4.04 0.17 -0.26 6.66 0.00 -0.41 -2.53 116.66 116.25 1l3g n ARG 52 Ca -0.01 0.29 0.05 0.00 -0.00 0.00 0.00 57.85 58.18 1l3g n ARG 52 Cb 0.50 -1.03 0.16 0.00 0.00 0.00 0.00 32.46 32.09 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 -0.36 0.34 0.49 5.15 3.07 -0.24 1.70 117.51 127.65 1l3g h ILE 53 Ca 0.00 -0.03 -0.02 0.00 1.55 0.00 0.00 64.86 66.35 1l3g h ILE 53 Cb 0.22 0.23 0.00 0.00 -0.27 0.00 0.00 36.82 37.00 1l3g h ILE 53 CO 0.00 0.02 -0.23 0.25 -1.05 0.00 0.00 178.15 177.13 1l3g h LEU 54 N 0.10 -0.55 -0.53 0.16 6.46 -1.29 1.23 115.31 120.88 1l3g h LEU 54 Ca 0.41 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 58.20 1l3g h LEU 54 Cb 0.72 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.72 1l3g h LEU 54 CO -0.67 -0.16 0.09 1.05 -0.62 0.00 0.00 178.44 178.14 1l3g h GLU 55 N -1.04 0.22 -0.02 1.25 -0.00 -1.02 5.62 114.58 119.59 1l3g h GLU 55 Ca -0.07 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.36 59.11 1l3g h GLU 55 Cb 0.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.27 1l3g h GLU 55 CO 0.11 0.15 -0.74 -0.22 -0.00 0.00 0.00 179.01 178.30 1l3g h LYS 56 N 0.23 0.17 0.00 1.06 3.11 0.25 0.91 116.57 122.30 1l3g h LYS 56 Ca 0.27 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1l3g h LYS 56 Cb 0.39 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1l3g h LYS 56 CO -0.37 0.84 -0.20 0.93 -2.81 0.00 0.00 179.45 177.84 1l3g h GLU 57 N 0.11 0.00 0.03 1.90 4.39 0.32 -3.31 114.58 118.03 1l3g h GLU 57 Ca -0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1l3g h GLU 57 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1l3g h GLU 57 CO 0.11 0.83 -0.92 -0.24 -1.16 0.00 0.00 179.01 177.63 1l3g h VAL 58 N -1.00 1.22 -0.92 3.13 3.04 1.13 -3.30 116.25 119.55 1l3g h VAL 58 Ca -0.05 -2.30 0.25 0.00 -1.01 0.00 0.00 66.70 63.59 1l3g h VAL 58 Cb 0.89 2.73 -0.17 0.00 -2.01 0.00 0.00 31.29 32.73 1l3g h VAL 58 CO -0.03 0.52 0.06 0.25 -1.01 0.00 0.00 177.57 177.35 1l3g h LEU 59 N -0.80 -0.37 0.00 3.16 7.12 0.14 7.27 115.31 131.83 1l3g h LEU 59 Ca -0.23 0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1l3g h LEU 59 Cb 1.35 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 41.90 1l3g h LEU 59 CO -0.07 -0.29 0.00 0.29 -0.13 0.00 0.00 178.44 178.24 1l3g n LYS 60 N -5.42 0.18 0.00 1.25 5.02 -1.16 -4.70 118.16 113.34 1l3g n LYS 60 Ca 0.21 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1l3g n LYS 60 Cb 0.69 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1l3g n GLU 61 N -1.33 3.66 -1.52 1.97 1.02 2.33 -5.01 120.64 121.76 1l3g n GLU 61 Ca 0.07 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 1l3g n GLU 61 Cb 0.14 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.59 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 3.44 -1.82 2.62 -1.04 -1.24 -4.96 114.28 111.27 1l3g n THR 62 Ca 0.00 -3.27 -0.42 0.00 -2.04 0.00 0.00 64.05 58.32 1l3g n THR 62 Cb 0.00 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 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 -3.17 2.68 0.02 -1.42 -3.43 -1.22 -4.64 115.29 104.10 1l3g s HIS 63 Ca 0.54 0.33 0.03 0.00 -0.80 0.00 0.00 55.06 55.17 1l3g s HIS 63 Cb 0.42 -4.06 -0.01 0.00 -1.43 0.00 0.00 32.58 27.50 1l3g s HIS 63 CO -0.21 -4.12 -0.10 -1.21 -2.00 0.00 0.00 174.74 167.10 1l3g s GLU 64 N 1.80 0.76 -0.40 -0.38 0.41 -1.23 -4.93 118.70 114.72 1l3g s GLU 64 Ca 0.75 -0.54 -0.14 0.00 -0.41 0.00 0.00 54.97 54.63 1l3g s GLU 64 Cb -0.45 -0.71 0.02 0.00 -1.78 0.00 0.00 34.13 31.21 1l3g s GLU 64 CO 0.33 0.18 0.27 0.15 -0.49 0.00 0.00 175.26 175.70 1l3g s LYS 65 N -0.76 2.91 -0.20 1.61 1.02 -0.81 -2.65 119.74 120.86 1l3g s LYS 65 Ca 0.01 -1.05 -0.17 0.00 0.02 0.00 0.00 55.97 54.77 1l3g s LYS 65 Cb -0.06 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 1l3g s LYS 65 CO 0.00 -0.74 0.45 0.14 -0.92 0.00 0.00 175.35 174.28 1l3g s VAL 66 N 1.63 5.15 0.34 3.17 -7.23 -0.90 -4.95 120.40 117.62 1l3g s VAL 66 Ca 0.04 0.81 0.05 0.00 -1.81 0.00 0.00 61.98 61.07 1l3g s VAL 66 Cb -0.19 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 32.95 1l3g s VAL 66 CO 0.09 0.21 0.35 -1.10 -0.31 0.00 0.00 175.10 174.34 1l3g s GLN 67 N 1.50 1.83 0.00 4.82 -1.52 -1.22 -2.87 119.66 122.21 1l3g s GLN 67 Ca 0.21 -1.96 0.00 0.00 -1.95 0.00 0.00 55.36 51.66 1l3g s GLN 67 Cb -0.15 0.37 0.00 0.00 -0.22 0.00 0.00 33.01 33.00 1l3g s GLN 67 CO 0.09 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.83 1l3g n GLY 68 N -0.62 0.53 0.00 3.09 0.00 -1.26 -2.56 105.19 104.37 1l3g n GLY 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.18 0.55 3.29 -0.02 0.00 -1.26 -5.01 105.19 100.56 1l3g n GLY 69 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1l3g n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1l3g s PHE 70 N -2.12 3.85 0.00 1.61 -0.71 -1.06 -4.34 117.98 115.20 1l3g s PHE 70 Ca 0.00 -2.31 0.00 0.00 -1.04 0.00 0.00 56.93 53.58 1l3g s PHE 70 Cb 0.00 -3.71 0.00 0.00 -1.21 0.00 0.00 43.02 38.10 1l3g s PHE 70 CO 0.00 -0.95 0.00 0.41 -1.34 0.00 0.00 175.22 173.34 1l3g n GLY 71 N 3.50 0.75 0.00 1.99 0.00 -1.26 -3.37 105.19 106.80 1l3g n GLY 71 Ca 0.16 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.83 1l3g n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1l3g n LYS 72 N -2.41 0.23 0.05 1.61 -0.00 -1.14 -1.69 118.16 114.81 1l3g n LYS 72 Ca 0.00 0.12 0.06 0.00 -0.00 0.00 0.00 58.31 58.48 1l3g n LYS 72 Cb 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.46 1l3g n LYS 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1l3g n TYR 73 N -1.32 0.78 -0.10 5.58 4.02 -1.26 -4.38 117.16 120.48 1l3g n TYR 73 Ca 0.08 0.24 -0.24 0.00 -0.01 0.00 0.00 57.90 57.98 1l3g n TYR 73 Cb 0.17 -0.95 -0.12 0.00 -0.02 0.00 0.00 39.34 38.42 1l3g n TYR 73 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1l3g n GLN 74 N -2.70 0.62 0.00 -0.72 3.00 -0.80 -4.25 117.38 112.53 1l3g n GLN 74 Ca -0.06 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1l3g n GLN 74 Cb 0.70 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 29.31 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 1.61 1.20 2.44 1.08 0.00 -0.68 -4.01 105.19 106.83 1l3g n GLY 75 Ca -0.40 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 1.56 -1.62 2.61 -1.04 -1.08 -1.93 114.28 112.77 1l3g n THR 76 Ca 0.00 -4.95 -0.31 0.00 -2.04 0.00 0.00 64.05 56.75 1l3g n THR 76 Cb 0.00 -1.77 0.05 0.00 -1.82 0.00 0.00 70.33 66.79 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 -2.36 3.16 0.21 -1.42 -2.14 -1.17 0.95 118.94 116.18 1l3g s TRP 77 Ca 0.41 1.35 -0.02 0.00 2.66 0.00 0.00 56.10 60.50 1l3g s TRP 77 Cb 0.20 -2.89 -0.04 0.00 -3.10 0.00 0.00 33.47 27.64 1l3g s TRP 77 CO -0.06 -1.22 0.17 0.14 -2.66 0.00 0.00 176.95 173.32 1l3g s VAL 78 N -3.09 0.00 -0.26 -0.66 -7.23 10.52 -3.53 120.40 116.15 1l3g s VAL 78 Ca 0.58 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 1l3g s VAL 78 Cb -0.13 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 1l3g s VAL 78 CO 0.55 0.00 2.21 -0.81 -0.31 0.00 0.00 175.10 176.74 1l3g n PRO 79 N -0.30 1.65 -0.24 4.82 -0.04 -1.26 1.09 135.00 140.72 1l3g n PRO 79 Ca 0.02 0.45 0.27 0.00 -0.04 0.00 0.00 63.50 64.20 1l3g n PRO 79 Cb 0.65 -2.97 0.65 0.00 -0.04 0.00 0.00 33.50 31.80 1l3g n PRO 79 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1l3g h LEU 80 N 14.17 0.16 -1.82 1.53 5.85 0.19 2.47 115.31 137.85 1l3g h LEU 80 Ca -0.36 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1l3g h LEU 80 Cb 1.27 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1l3g h LEU 80 CO 0.98 0.05 -0.06 0.78 -0.34 0.00 0.00 178.44 179.84 1l3g h ASN 81 N 0.15 0.03 0.00 1.25 -0.26 -1.80 -1.87 115.58 113.07 1l3g h ASN 81 Ca 0.49 -0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 56.05 1l3g h ASN 81 Cb 1.68 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 38.90 1l3g h ASN 81 CO -0.09 0.10 -1.68 0.00 -1.06 0.00 0.00 177.43 174.70 1l3g n ILE 82 N -4.44 0.66 0.36 2.81 0.13 0.20 -4.20 119.36 114.88 1l3g n ILE 82 Ca -0.02 -0.42 -0.16 0.00 -1.10 0.00 0.00 62.75 61.05 1l3g n ILE 82 Cb 0.16 -0.70 -0.08 0.00 -0.84 0.00 0.00 39.64 38.17 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1l3g h ALA 83 N 0.51 -0.94 -0.15 1.51 0.00 0.40 -1.28 119.26 119.31 1l3g h ALA 83 Ca -0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1l3g h ALA 83 Cb 1.58 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1l3g h ALA 83 CO 0.01 -0.93 0.06 1.57 0.00 0.00 0.00 179.25 179.97 1l3g h LYS 84 N -1.13 0.20 0.00 0.00 2.10 -1.53 0.22 116.57 116.43 1l3g h LYS 84 Ca -0.10 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.47 1l3g h LYS 84 Cb 0.75 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 1l3g h LYS 84 CO 0.16 0.16 -0.32 0.37 -2.00 0.00 0.00 179.45 177.82 1l3g h GLN 85 N 0.20 0.00 0.11 0.07 4.15 -1.66 0.73 115.11 118.71 1l3g h GLN 85 Ca 0.05 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.12 1l3g h GLN 85 Cb 0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1l3g h GLN 85 CO -0.01 0.32 -1.94 -0.11 -1.93 0.00 0.00 178.83 175.16 1l3g n LEU 86 N -3.69 2.35 -0.06 -2.39 7.94 -0.28 -4.29 117.00 116.57 1l3g n LEU 86 Ca -0.01 0.25 -0.04 0.00 -1.11 0.00 0.00 56.01 55.11 1l3g n LEU 86 Cb 0.43 -0.91 -0.01 0.00 0.53 0.00 0.00 43.42 43.45 1l3g n LEU 86 CO 0.36 0.78 -0.27 0.00 -1.11 0.00 0.00 177.39 177.14 1l3g h ALA 87 N 0.23 0.00 -0.56 1.96 0.00 -0.56 -3.35 119.26 116.97 1l3g h ALA 87 Ca -0.40 -0.40 0.16 0.00 0.00 0.00 0.00 54.91 54.27 1l3g h ALA 87 Cb 2.03 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 20.20 1l3g h ALA 87 CO 0.09 0.40 0.79 -0.85 0.00 0.00 0.00 179.25 179.68 1l3g n GLU 88 N -4.59 0.01 0.00 0.00 0.28 0.25 -0.82 120.64 115.78 1l3g n GLU 88 Ca -0.06 0.67 0.00 0.00 -0.16 0.00 0.00 57.16 57.61 1l3g n GLU 88 Cb 0.21 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.38 1l3g n GLU 88 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1l3g n LYS 89 N -2.44 0.00 -0.04 3.44 2.85 -1.25 -3.76 118.16 116.96 1l3g n LYS 89 Ca 0.13 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.45 1l3g n LYS 89 Cb 0.96 -0.05 0.07 0.00 -0.65 0.00 0.00 35.03 35.36 1l3g n LYS 89 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1l3g n PHE 90 N 0.00 0.10 0.00 5.58 3.72 -1.07 -4.12 117.46 121.67 1l3g n PHE 90 Ca 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1l3g n PHE 90 Cb 0.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.65 0.00 -0.08 4.37 7.64 0.00 -4.66 113.62 121.54 1l3g n SER 91 Ca 0.08 0.39 0.01 0.00 1.01 0.00 0.00 58.87 60.36 1l3g n SER 91 Cb 0.32 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.40 0.62 -0.41 0.44 0.24 -1.00 -4.19 118.33 112.63 1l3g n VAL 92 Ca 0.00 -0.81 0.32 0.00 -2.04 0.00 0.00 64.34 61.81 1l3g n VAL 92 Cb 0.00 0.70 0.50 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.18 0.00 -0.08 6.34 4.11 -1.17 0.21 117.16 126.38 1l3g n TYR 93 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.80 1l3g n TYR 93 Cb 0.19 -0.30 -0.05 0.00 -0.00 0.00 0.00 39.34 39.18 1l3g n TYR 93 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1l3g n ASP 94 N -3.13 1.83 -0.27 9.48 9.92 -1.26 -4.03 116.55 129.09 1l3g n ASP 94 Ca 0.27 0.54 0.10 0.00 -0.53 0.00 0.00 54.79 55.18 1l3g n ASP 94 Cb 1.29 -0.90 0.35 0.00 -0.64 0.00 0.00 41.12 41.22 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1l3g h GLN 95 N -1.00 0.73 -1.31 -1.24 7.50 -0.57 -0.53 115.11 118.69 1l3g h GLN 95 Ca -0.14 -0.04 -0.35 0.00 0.50 0.00 0.00 58.65 58.62 1l3g h GLN 95 Cb 0.83 -0.17 -0.16 0.00 0.05 0.00 0.00 27.48 28.04 1l3g h GLN 95 CO -0.09 0.48 0.45 1.28 -1.50 0.00 0.00 178.83 179.46 1l3g n LEU 96 N -4.55 6.17 0.42 1.46 4.77 0.58 -4.57 117.00 121.28 1l3g n LEU 96 Ca 0.17 -3.21 -0.19 0.00 -0.03 0.00 0.00 56.01 52.75 1l3g n LEU 96 Cb 0.42 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 1l3g n LEU 96 CO 0.30 1.12 0.56 0.11 -1.33 0.00 0.00 177.39 178.15 1l3g h LYS 97 N 1.24 -1.11 0.54 3.23 1.79 -1.23 -0.89 116.57 120.15 1l3g h LYS 97 Ca 0.34 0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 1l3g h LYS 97 Cb 1.25 0.25 0.01 0.00 -1.58 0.00 0.00 32.23 32.16 1l3g h LYS 97 CO 0.80 -0.74 -0.26 -1.00 -1.08 0.00 0.00 179.45 177.17 1l3g h PRO 98 N -1.15 -0.70 -1.19 3.15 0.13 -1.85 0.42 132.00 130.82 1l3g h PRO 98 Ca -0.10 0.05 0.38 0.00 -0.87 0.00 0.00 66.00 65.46 1l3g h PRO 98 Cb 0.91 0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.08 1l3g h PRO 98 CO 0.12 -0.43 0.75 1.25 -0.23 0.00 0.00 178.00 179.46 1l3g h LEU 99 N -1.15 0.33 0.00 1.56 5.85 -1.84 1.01 115.31 121.08 1l3g h LEU 99 Ca -0.07 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1l3g h LEU 99 Cb 0.59 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1l3g h LEU 99 CO 0.12 -0.14 -1.19 0.49 -0.34 0.00 0.00 178.44 177.39 1l3g n PHE 100 N -4.78 0.94 1.02 1.25 3.72 -0.34 -3.81 117.46 115.45 1l3g n PHE 100 Ca 0.34 0.29 0.13 0.00 -0.05 0.00 0.00 57.45 58.16 1l3g n PHE 100 Cb 1.24 -0.99 0.61 0.00 -0.94 0.00 0.00 39.48 39.40 1l3g n PHE 100 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1l3g n ASP 101 N -2.73 0.00 -4.61 4.37 9.92 0.33 -4.76 116.55 119.07 1l3g n ASP 101 Ca -0.04 0.41 -0.43 0.00 -0.53 0.00 0.00 54.79 54.20 1l3g n ASP 101 Cb 0.65 -0.47 -0.03 0.00 -0.64 0.00 0.00 41.12 40.63 1l3g n ASP 101 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1l3g s PHE 102 N -2.94 1.67 -2.87 1.24 2.19 -0.22 -4.82 117.98 112.25 1l3g s PHE 102 Ca 0.15 0.47 0.23 0.00 0.33 0.00 0.00 56.93 58.12 1l3g s PHE 102 Cb 0.18 -4.05 0.18 0.00 -1.31 0.00 0.00 43.02 38.02 1l3g s PHE 102 CO 0.50 -3.50 1.23 2.41 1.83 0.00 0.00 175.22 177.69 1l3g n THR 103 N 7.05 0.00 -3.29 0.12 -1.04 -1.26 -4.85 114.28 111.01 1l3g n THR 103 Ca 0.23 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.05 61.32 1l3g n THR 103 Cb 0.45 1.47 -0.08 0.00 -1.82 0.00 0.00 70.33 70.35 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 -1.95 3.11 -0.34 -2.82 2.00 -1.26 -5.03 119.66 113.37 1l3g s GLN 104 Ca 0.27 -0.75 -0.05 0.00 -2.00 0.00 0.00 55.36 52.83 1l3g s GLN 104 Cb 0.19 -3.98 0.06 0.00 0.80 0.00 0.00 33.01 30.08 1l3g s GLN 104 CO 0.30 -0.91 0.10 0.95 -0.50 0.00 0.00 175.29 175.24 1l3g s THR 105 N 2.23 3.52 -0.09 -0.34 -4.23 -1.26 -4.95 115.64 110.53 1l3g s THR 105 Ca 0.13 -1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1l3g s THR 105 Cb -0.17 -3.07 -0.28 0.00 1.34 0.00 0.00 72.50 70.32 1l3g s THR 105 CO 0.14 -0.26 0.49 -0.78 -0.54 0.00 0.00 174.62 173.67 1l3g h ASP 106 N 8.15 0.46 0.00 3.99 3.58 -2.02 -3.48 116.42 127.10 1l3g h ASP 106 Ca -0.21 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.35 1l3g h ASP 106 Cb 1.07 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1l3g h ASP 106 CO 0.61 1.78 0.00 0.61 -2.88 0.00 0.00 179.24 179.36 1l3g n GLY 107 N 1.92 2.26 3.44 -0.78 0.00 -1.26 -4.99 105.19 105.79 1l3g n GLY 107 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.10 6.20 -0.16 1.61 1.04 -1.26 -5.00 113.70 114.04 1l3g s SER 108 Ca 0.00 -1.00 -0.29 0.00 0.48 0.00 0.00 55.95 55.14 1l3g s SER 108 Cb 0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 1l3g s SER 108 CO 0.00 -1.26 1.96 0.00 0.98 0.00 0.00 173.24 174.92 1l3g s ALA 109 N 3.51 3.12 -0.01 5.32 0.00 -1.26 -4.96 121.76 127.47 1l3g s ALA 109 Ca 0.20 0.81 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1l3g s ALA 109 Cb -0.18 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 1l3g s ALA 109 CO 0.11 -2.22 -0.16 -1.12 0.00 0.00 0.00 175.76 172.36 1l3g s SER 110 N 5.97 3.87 0.70 0.00 0.01 -1.26 -5.09 113.70 117.91 1l3g s SER 110 Ca 0.88 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.70 1l3g s SER 110 Cb -0.33 -0.72 -0.11 0.00 0.21 0.00 0.00 66.02 65.08 1l3g s SER 110 CO 0.35 0.30 -0.55 -2.65 0.41 0.00 0.00 173.24 171.10 1l3g n PRO 111 N 1.97 0.00 -1.70 12.44 -0.02 -1.26 -4.58 135.00 141.84 1l3g n PRO 111 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.88 1l3g n PRO 111 Cb 0.52 -0.72 -0.03 0.00 -0.02 0.00 0.00 33.50 33.25 1l3g n PRO 111 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1l3g n PRO 112 N 1.75 2.58 0.10 0.52 -0.04 0.13 -4.63 135.00 135.41 1l3g n PRO 112 Ca -0.01 0.93 0.12 0.00 -0.04 0.00 0.00 63.50 64.50 1l3g n PRO 112 Cb 0.40 -2.75 0.45 0.00 -0.04 0.00 0.00 33.50 31.56 1l3g n PRO 112 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1l3g n PRO 113 N 3.82 0.19 -0.45 0.54 -0.02 -1.25 -4.85 135.00 132.98 1l3g n PRO 113 Ca 0.16 0.28 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1l3g n PRO 113 Cb 0.33 -1.78 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l3g n ALA 114 N -1.74 -1.52 -1.67 3.55 0.00 -1.26 -4.47 120.51 113.40 1l3g n ALA 114 Ca 0.04 -0.51 -0.48 0.00 0.00 0.00 0.00 53.44 52.50 1l3g n ALA 114 Cb 0.33 -0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 1l3g n ALA 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1l3g n PRO 115 N 1.15 2.21 -3.22 0.00 -0.04 -1.26 -4.95 135.00 128.88 1l3g n PRO 115 Ca -0.01 0.80 -0.33 0.00 -0.04 0.00 0.00 63.50 63.92 1l3g n PRO 115 Cb 0.28 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 1l3g n PRO 115 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1l3g s LYS 116 N 4.30 4.00 0.29 0.54 2.20 -1.26 -5.06 119.74 124.75 1l3g s LYS 116 Ca 0.93 0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 56.91 1l3g s LYS 116 Cb -0.66 -2.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.95 1l3g s LYS 116 CO 0.50 0.27 0.86 -1.01 -0.36 0.00 0.00 175.35 175.61 1l3g s HIS 117 N -1.80 3.65 0.29 4.03 3.76 -1.26 -4.98 115.29 118.98 1l3g s HIS 117 Ca 0.49 1.62 -0.28 0.00 -0.15 0.00 0.00 55.06 56.73 1l3g s HIS 117 Cb -0.12 -2.80 -0.14 0.00 1.11 0.00 0.00 32.58 30.63 1l3g s HIS 117 CO 0.19 0.24 0.98 -2.39 -0.85 0.00 0.00 174.74 172.92 1l3g n HIS 118 N 0.55 1.18 -3.94 1.40 1.44 -1.26 -4.96 115.22 109.63 1l3g n HIS 118 Ca 0.01 0.72 -0.28 0.00 -2.01 0.00 0.00 57.72 56.15 1l3g n HIS 118 Cb 0.51 -2.23 -0.04 0.00 0.12 0.00 0.00 29.99 28.35 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1l3g s HIS 119 N -1.06 3.48 0.08 -1.40 3.76 -1.26 -5.02 115.29 113.87 1l3g s HIS 119 Ca 0.59 0.16 -0.36 0.00 -0.15 0.00 0.00 55.06 55.30 1l3g s HIS 119 Cb -0.71 -1.70 -0.18 0.00 1.11 0.00 0.00 32.58 31.10 1l3g s HIS 119 CO 0.60 0.55 0.97 0.00 -0.85 0.00 0.00 174.74 176.00 1l3g n ALA 120 N -0.19 -2.86 -3.52 -1.40 0.00 -1.26 -4.88 120.51 106.39 1l3g n ALA 120 Ca -0.06 0.54 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1l3g n ALA 120 Cb 0.53 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 1l3g n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1l3g s SER 121 N -0.21 5.98 -0.28 0.00 1.04 -1.26 -5.03 113.70 113.94 1l3g s SER 121 Ca 0.81 -2.71 -0.29 0.00 0.48 0.00 0.00 55.95 54.25 1l3g s SER 121 Cb -1.10 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 62.96 1l3g s SER 121 CO 0.55 -0.49 1.77 -0.54 0.98 0.00 0.00 173.24 175.51 1l3g s LYS 122 N 0.15 3.48 0.00 4.02 1.02 -1.26 -4.98 119.74 122.17 1l3g s LYS 122 Ca 0.16 1.55 -0.01 0.00 0.02 0.00 0.00 55.97 57.69 1l3g s LYS 122 Cb -0.16 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 32.95 1l3g s LYS 122 CO -0.06 -1.68 0.12 0.08 -0.92 0.00 0.00 175.35 172.89 1l3g s VAL 123 N 6.40 4.98 -1.91 3.17 1.01 -1.26 -5.32 120.40 127.47 1l3g s VAL 123 Ca 0.79 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1l3g s VAL 123 Cb -0.24 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1l3g s VAL 123 CO 0.33 0.32 0.48 0.47 0.00 0.00 0.00 175.10 176.70