#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 n GLN -7 N 0.00 0.00 -3.72 -2.82 10.64 -1.26 -5.03 117.38 115.19 3d29 n GLN -7 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 3d29 n GLN -7 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 3d29 n GLN -7 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 3d29 s GLN -6 N -1.78 0.25 0.44 2.61 -2.07 -1.26 -5.11 119.66 112.73 3d29 s GLN -6 Ca 0.00 0.58 -0.26 0.00 -1.82 0.00 0.00 55.36 53.86 3d29 s GLN -6 Cb 0.00 -0.09 -0.09 0.00 -1.09 0.00 0.00 33.01 31.74 3d29 s GLN -6 CO 0.00 -0.16 1.45 -1.25 -1.32 0.00 0.00 175.29 174.01 3d29 s PRO -5 N 1.26 3.76 0.00 9.60 0.04 -1.26 -4.97 135.00 143.43 3d29 s PRO -5 Ca -0.09 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.42 3d29 s PRO -5 Cb -0.10 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3d29 s PRO -5 CO -0.09 -0.77 0.00 -0.89 0.04 0.00 0.00 177.00 175.28 3d29 n ILE -4 N -0.06 0.00 -3.08 0.56 2.08 -1.26 -4.98 119.36 112.62 3d29 n ILE -4 Ca 0.04 0.10 -0.40 0.00 0.56 0.00 0.00 62.75 63.05 3d29 n ILE -4 Cb 0.41 -0.94 -0.05 0.00 -0.75 0.00 0.00 39.64 38.31 3d29 n ILE -4 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3d29 s VAL -3 N -0.37 5.05 0.07 1.39 1.01 -1.26 -4.11 120.40 122.18 3d29 s VAL -3 Ca 0.00 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.38 3d29 s VAL -3 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3d29 s VAL -3 CO 0.00 0.22 -0.11 0.42 0.00 0.00 0.00 175.10 175.63 3d29 s THR -2 N 1.03 0.88 -0.04 3.92 -4.23 0.15 0.05 115.64 117.40 3d29 s THR -2 Ca 0.35 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3d29 s THR -2 Cb -0.17 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 3d29 s THR -2 CO 0.16 -0.37 0.02 -0.83 -0.54 0.00 0.00 174.62 173.06 3d29 s GLY -1 N -1.88 1.91 0.00 3.99 0.00 -0.23 -0.40 107.32 110.71 3d29 s GLY -1 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3d29 s GLY -1 CO 0.01 -0.69 0.00 -0.37 0.00 0.00 0.00 173.10 172.05 3d29 n THR 1 N 1.65 0.00 -1.29 0.90 5.66 -1.26 -1.61 114.28 118.32 3d29 n THR 1 Ca -0.16 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.45 3d29 n THR 1 Cb 0.53 -0.15 0.02 0.00 -1.55 0.00 0.00 70.33 69.18 3d29 n THR 1 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3d29 n SER 2 N 0.00 -3.09 -3.78 1.09 7.64 -1.26 -4.59 113.62 109.64 3d29 n SER 2 Ca 0.00 0.67 -0.24 0.00 1.01 0.00 0.00 58.87 60.31 3d29 n SER 2 Cb 0.00 -0.92 -0.17 0.00 -1.01 0.00 0.00 64.21 62.10 3d29 n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3d29 s VAL 3 N -1.94 0.44 0.23 0.44 1.01 -1.25 -4.38 120.40 114.95 3d29 s VAL 3 Ca 0.59 -0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.68 3d29 s VAL 3 Cb -0.48 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3d29 s VAL 3 CO 0.64 0.20 -0.17 0.27 0.00 0.00 0.00 175.10 176.04 3d29 s ILE 4 N 1.94 2.70 0.03 2.22 -4.36 -0.79 -0.79 121.20 122.14 3d29 s ILE 4 Ca 0.04 -2.07 -0.28 0.00 -0.26 0.00 0.00 60.65 58.08 3d29 s ILE 4 Cb -0.13 -2.36 0.09 0.00 1.25 0.00 0.00 42.46 41.31 3d29 s ILE 4 CO -0.06 -0.24 0.91 -0.94 0.24 0.00 0.00 174.94 174.85 3d29 s SER 5 N -3.11 -0.32 0.14 4.36 1.04 0.33 -1.22 113.70 114.93 3d29 s SER 5 Ca 0.26 -0.09 -0.24 0.00 0.48 0.00 0.00 55.95 56.36 3d29 s SER 5 Cb -0.07 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.52 3d29 s SER 5 CO 0.14 -0.67 0.76 0.00 0.98 0.00 0.00 173.24 174.45 3d29 s MET 6 N -3.14 1.26 0.10 4.02 0.23 -0.84 -1.36 119.30 119.57 3d29 s MET 6 Ca 0.07 -0.58 0.08 0.00 -1.03 0.00 0.00 55.69 54.23 3d29 s MET 6 Cb -0.01 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 33.76 3d29 s MET 6 CO -0.07 -0.57 -0.15 -1.59 -2.03 0.00 0.00 175.02 170.62 3d29 s LYS 7 N -3.55 1.96 0.00 3.16 -2.85 -0.80 -1.02 119.74 116.64 3d29 s LYS 7 Ca 0.06 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 3d29 s LYS 7 Cb -0.02 -2.20 0.00 0.00 -2.06 0.00 0.00 37.83 33.55 3d29 s LYS 7 CO -0.05 0.50 0.00 2.48 0.10 0.00 0.00 175.35 178.38 3d29 n TYR 8 N 0.83 0.00 -0.29 1.78 4.11 0.32 -4.88 117.16 119.02 3d29 n TYR 8 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.72 3d29 n TYR 8 Cb 0.52 0.00 0.09 0.00 -0.00 0.00 0.00 39.34 39.95 3d29 n TYR 8 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 3d29 h ASP 9 N 0.00 0.89 -0.12 9.48 3.04 -0.61 -3.27 116.42 125.83 3d29 h ASP 9 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 3d29 h ASP 9 Cb 0.00 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.08 3d29 h ASP 9 CO 0.00 0.63 0.00 0.59 -2.04 0.00 0.00 179.24 178.42 3d29 n ASN 10 N -4.56 2.27 0.00 4.15 5.03 -1.26 -4.84 115.26 116.06 3d29 n ASN 10 Ca 0.09 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.90 3d29 n ASN 10 Cb 0.05 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 3d29 n ASN 10 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d29 n GLY 11 N 0.62 -0.79 3.06 7.41 0.00 -1.23 -0.83 105.19 113.42 3d29 n GLY 11 Ca 0.08 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3d29 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 12 N -3.92 0.27 0.06 1.61 -7.23 -0.85 -0.52 120.40 109.81 3d29 s VAL 12 Ca 0.00 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3d29 s VAL 12 Cb 0.00 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3d29 s VAL 12 CO 0.00 -0.75 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.21 3d29 s ILE 13 N -2.78 1.58 -0.12 -0.62 1.01 -0.19 -1.41 121.20 118.67 3d29 s ILE 13 Ca -0.02 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.26 3d29 s ILE 13 Cb -0.00 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3d29 s ILE 13 CO -0.05 0.09 0.32 -0.51 0.00 0.00 0.00 174.94 174.78 3d29 s ILE 14 N -0.92 -0.01 0.06 2.92 2.07 -0.67 -1.98 121.20 122.67 3d29 s ILE 14 Ca 0.06 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.30 3d29 s ILE 14 Cb -0.09 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 3d29 s ILE 14 CO 0.02 0.01 -0.00 0.00 -1.91 0.00 0.00 174.94 173.06 3d29 s ALA 15 N 0.38 0.46 -0.28 1.50 0.00 -0.36 -0.80 121.76 122.66 3d29 s ALA 15 Ca -0.02 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 3d29 s ALA 15 Cb -0.04 0.33 0.12 0.00 0.00 0.00 0.00 23.12 23.54 3d29 s ALA 15 CO -0.02 -0.39 0.99 0.00 0.00 0.00 0.00 175.76 176.34 3d29 s ALA 16 N -3.92 -2.04 0.90 0.00 0.00 -0.91 -1.89 121.76 113.90 3d29 s ALA 16 Ca 0.08 2.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.92 3d29 s ALA 16 Cb 0.08 -1.51 0.13 0.00 0.00 0.00 0.00 23.12 21.82 3d29 s ALA 16 CO -0.09 -0.28 1.10 0.16 0.00 0.00 0.00 175.76 176.65 3d29 s ASP 17 N 0.61 3.44 -0.44 0.00 3.84 -1.26 -1.64 116.67 121.23 3d29 s ASP 17 Ca -0.01 1.35 0.02 0.00 -0.00 0.00 0.00 52.55 53.91 3d29 s ASP 17 Cb -0.05 -2.03 0.50 0.00 -1.38 0.00 0.00 42.92 39.96 3d29 s ASP 17 CO -0.09 -2.64 1.86 0.59 -0.00 0.00 0.00 175.17 174.89 3d29 n ASN 18 N -3.87 4.85 -4.81 2.11 3.02 0.11 -4.61 115.26 112.06 3d29 n ASN 18 Ca 0.07 -3.42 -0.34 0.00 -0.03 0.00 0.00 54.58 50.85 3d29 n ASN 18 Cb 0.56 -0.86 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 3d29 n ASN 18 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3d29 s LEU 19 N -2.92 4.04 -0.43 3.41 2.96 -1.26 -2.03 118.68 122.44 3d29 s LEU 19 Ca 0.50 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 3d29 s LEU 19 Cb 0.41 -2.24 0.12 0.00 0.50 0.00 0.00 46.19 44.99 3d29 s LEU 19 CO 0.06 0.31 0.20 -0.83 -1.32 0.00 0.00 176.35 174.77 3d29 s GLY 20 N -1.53 1.89 0.61 7.98 0.00 0.93 -4.44 107.32 112.76 3d29 s GLY 20 Ca 0.21 -2.69 -0.15 0.00 0.00 0.00 0.00 44.72 42.09 3d29 s GLY 20 CO 0.11 1.28 1.06 -0.56 0.00 0.00 0.00 173.10 174.99 3d29 s SER 21 N 0.39 5.72 -0.47 1.64 0.01 0.47 -1.10 113.70 120.35 3d29 s SER 21 Ca 0.15 1.78 0.04 0.00 1.31 0.00 0.00 55.95 59.23 3d29 s SER 21 Cb -0.23 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.65 3d29 s SER 21 CO -0.04 -1.21 0.38 0.00 0.41 0.00 0.00 173.24 172.78 3d29 n TYR 22 N -2.22 -0.08 0.00 2.43 4.19 0.09 0.31 117.16 121.87 3d29 n TYR 22 Ca 0.08 -3.51 0.00 0.00 3.31 0.00 0.00 57.90 57.78 3d29 n TYR 22 Cb 0.53 0.07 0.00 0.00 0.49 0.00 0.00 39.34 40.43 3d29 n TYR 22 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3d29 n GLY 23 N 2.59 1.30 0.69 2.98 0.00 -1.26 -2.25 105.19 109.24 3d29 n GLY 23 Ca 0.28 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3d29 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d29 n SER 24 N 6.93 2.11 -4.62 1.61 3.41 -1.26 -4.81 113.62 116.98 3d29 n SER 24 Ca 0.00 -1.73 -0.41 0.00 -0.26 0.00 0.00 58.87 56.47 3d29 n SER 24 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 3d29 n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3d29 s LEU 25 N -1.81 4.09 -1.45 1.04 2.96 -0.95 -4.95 118.68 117.61 3d29 s LEU 25 Ca 0.34 0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 54.79 3d29 s LEU 25 Cb 0.20 -2.92 0.05 0.00 0.50 0.00 0.00 46.19 44.02 3d29 s LEU 25 CO 0.31 -0.46 2.20 0.18 -1.32 0.00 0.00 176.35 177.26 3d29 n LEU 26 N 5.88 6.83 0.13 -0.68 4.77 -1.26 -0.73 117.00 131.92 3d29 n LEU 26 Ca 0.01 -4.17 -0.14 0.00 -0.03 0.00 0.00 56.01 51.68 3d29 n LEU 26 Cb 0.49 -1.65 -0.08 0.00 -2.33 0.00 0.00 43.42 39.85 3d29 n LEU 26 CO 0.45 1.11 0.78 -0.09 -1.33 0.00 0.00 177.39 178.31 3d29 h ARG 27 N 6.01 -0.25 -6.32 3.23 2.43 -1.89 -3.45 114.38 114.14 3d29 h ARG 27 Ca 0.56 0.02 -0.69 0.00 -0.81 0.00 0.00 59.98 59.05 3d29 h ARG 27 Cb 0.64 0.06 -0.25 0.00 -0.42 0.00 0.00 29.97 30.00 3d29 h ARG 27 CO 1.87 -0.12 -0.80 -0.06 -1.51 0.00 0.00 179.97 179.35 3d29 s PHE 28 N -5.91 2.62 -0.22 2.20 0.08 -0.26 -4.99 117.98 111.50 3d29 s PHE 28 Ca -0.14 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.67 3d29 s PHE 28 Cb 0.05 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3d29 s PHE 28 CO 0.64 0.10 0.32 0.09 -0.10 0.00 0.00 175.22 176.27 3d29 n ASN 29 N 2.42 0.61 -2.49 1.36 4.13 -1.26 -0.05 115.26 119.98 3d29 n ASN 29 Ca -0.17 -0.80 -0.31 0.00 1.68 0.00 0.00 54.58 54.98 3d29 n ASN 29 Cb 0.52 0.56 0.03 0.00 -1.54 0.00 0.00 39.78 39.35 3d29 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d29 n GLY 30 N 0.67 5.94 3.49 7.41 0.00 -1.22 -4.56 105.19 116.92 3d29 n GLY 30 Ca 0.01 -2.61 -0.43 0.00 0.00 0.00 0.00 46.02 42.99 3d29 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 31 N -5.14 5.09 -0.25 1.61 1.01 -0.86 -5.03 120.40 116.83 3d29 s VAL 31 Ca 0.52 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 3d29 s VAL 31 Cb 0.43 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3d29 s VAL 31 CO -0.18 -0.38 0.89 -0.70 0.00 0.00 0.00 175.10 174.73 3d29 s GLU 32 N 2.14 4.16 0.00 2.72 2.56 -1.26 -4.20 118.70 124.83 3d29 s GLU 32 Ca 0.12 1.00 0.15 0.00 0.00 0.00 0.00 54.97 56.25 3d29 s GLU 32 Cb -0.17 -3.66 0.28 0.00 2.00 0.00 0.00 34.13 32.57 3d29 s GLU 32 CO 0.13 -0.60 1.18 0.54 -0.56 0.00 0.00 175.26 175.95 3d29 n ARG 33 N 6.18 1.99 -3.74 4.30 1.74 -1.26 -4.87 116.66 121.00 3d29 n ARG 33 Ca 0.07 -1.85 -0.37 0.00 -0.77 0.00 0.00 57.85 54.93 3d29 n ARG 33 Cb 0.47 -1.34 -0.12 0.00 -1.02 0.00 0.00 32.46 30.45 3d29 n ARG 33 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d29 s LEU 34 N -1.16 3.72 -0.29 0.55 1.43 -1.26 -1.48 118.68 120.20 3d29 s LEU 34 Ca 0.25 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3d29 s LEU 34 Cb 0.15 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3d29 s LEU 34 CO 0.21 -0.13 0.03 -0.63 0.23 0.00 0.00 176.35 176.06 3d29 s ILE 35 N 1.56 3.47 0.17 -0.59 1.09 0.16 -4.91 121.20 122.16 3d29 s ILE 35 Ca 0.04 -0.94 -0.28 0.00 -1.10 0.00 0.00 60.65 58.38 3d29 s ILE 35 Cb -0.16 -2.83 -0.08 0.00 -1.06 0.00 0.00 42.46 38.33 3d29 s ILE 35 CO 0.03 0.06 0.87 -2.84 -0.10 0.00 0.00 174.94 172.97 3d29 s PRO 36 N 1.40 4.69 -0.23 2.79 0.02 -1.26 0.85 135.00 143.27 3d29 s PRO 36 Ca 0.00 1.32 0.01 0.00 0.02 0.00 0.00 61.00 62.36 3d29 s PRO 36 Cb -0.18 -3.30 0.05 0.00 0.02 0.00 0.00 34.50 31.10 3d29 s PRO 36 CO -0.00 0.45 -0.08 0.08 -0.33 0.00 0.00 177.00 177.12 3d29 s VAL 37 N -0.82 1.69 0.00 3.83 1.01 -0.17 -4.94 120.40 121.00 3d29 s VAL 37 Ca 0.40 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3d29 s VAL 37 Cb -0.24 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3d29 s VAL 37 CO 0.29 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3d29 n GLY 38 N 4.63 0.85 0.27 4.51 0.00 -1.26 -3.19 105.19 111.00 3d29 n GLY 38 Ca -0.13 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.15 3d29 n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d29 n ASP 39 N 0.44 1.04 0.00 1.61 3.85 -1.26 -4.69 116.55 117.55 3d29 n ASP 39 Ca 0.00 -2.36 0.00 0.00 -0.71 0.00 0.00 54.79 51.72 3d29 n ASP 39 Cb 0.00 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 3d29 n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3d29 n ASN 40 N -0.60 1.02 -3.78 -1.12 2.04 -1.25 -3.98 115.26 107.59 3d29 n ASN 40 Ca 0.06 -1.38 -0.13 0.00 -0.44 0.00 0.00 54.58 52.70 3d29 n ASN 40 Cb 0.64 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.77 3d29 n ASN 40 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3d29 s THR 41 N -0.38 -0.00 -0.07 5.53 2.01 -1.19 -1.57 115.64 119.97 3d29 s THR 41 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 3d29 s THR 41 Cb 0.00 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.15 3d29 s THR 41 CO 0.00 0.00 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.19 3d29 s VAL 42 N 0.19 0.68 -0.30 3.82 1.01 0.16 -1.00 120.40 124.97 3d29 s VAL 42 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 3d29 s VAL 42 Cb -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3d29 s VAL 42 CO -0.00 0.28 0.10 -0.69 0.00 0.00 0.00 175.10 174.79 3d29 s VAL 43 N 1.26 4.20 -0.16 2.92 1.01 0.25 -0.93 120.40 128.94 3d29 s VAL 43 Ca -0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3d29 s VAL 43 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3d29 s VAL 43 CO -0.02 0.10 0.23 -0.83 0.00 0.00 0.00 175.10 174.58 3d29 s GLY 44 N 1.55 2.17 -0.04 4.51 0.00 -0.36 0.38 107.32 115.52 3d29 s GLY 44 Ca 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.27 3d29 s GLY 44 CO 0.04 0.25 -0.18 -0.42 0.00 0.00 0.00 173.10 172.79 3d29 s ILE 45 N 0.21 1.47 0.30 0.90 1.01 -0.55 -1.72 121.20 122.82 3d29 s ILE 45 Ca 0.14 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3d29 s ILE 45 Cb -0.12 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 3d29 s ILE 45 CO 0.03 0.42 -0.08 -0.94 0.00 0.00 0.00 174.94 174.37 3d29 s SER 46 N -0.00 3.13 0.00 3.58 1.04 -0.66 -4.86 113.70 115.93 3d29 s SER 46 Ca -0.03 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3d29 s SER 46 Cb -0.11 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.77 3d29 s SER 46 CO 0.02 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3d29 n GLY 47 N -0.65 -0.59 3.66 7.32 0.00 -0.63 -2.16 105.19 112.13 3d29 n GLY 47 Ca -0.05 -1.95 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 3d29 n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d29 n ASP 48 N 0.00 3.90 -0.13 1.61 2.03 0.20 -1.06 116.55 123.09 3d29 n ASP 48 Ca 0.00 0.89 -0.08 0.00 0.52 0.00 0.00 54.79 56.12 3d29 n ASP 48 Cb 0.00 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.00 3d29 n ASP 48 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3d29 h ILE 49 N 5.68 1.26 -0.40 5.18 1.08 -0.73 -0.92 117.51 128.67 3d29 h ILE 49 Ca -0.49 -1.24 -0.03 0.00 -0.39 0.00 0.00 64.86 62.71 3d29 h ILE 49 Cb 1.25 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 36.01 3d29 h ILE 49 CO 0.94 0.43 0.11 0.77 -0.69 0.00 0.00 178.15 179.71 3d29 h SER 50 N 0.79 0.54 0.26 1.72 4.64 -1.91 0.21 113.55 119.79 3d29 h SER 50 Ca 0.12 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.19 3d29 h SER 50 Cb 0.65 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3d29 h SER 50 CO 0.05 0.54 -0.73 0.44 -0.87 0.00 0.00 176.83 176.26 3d29 h ASP 51 N 0.58 0.48 -0.40 4.97 3.45 -1.87 -2.51 116.42 121.11 3d29 h ASP 51 Ca 0.14 -0.31 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 3d29 h ASP 51 Cb 0.21 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 3d29 h ASP 51 CO -0.01 1.05 0.19 -0.03 -1.57 0.00 0.00 179.24 178.87 3d29 h MET 52 N 0.27 0.59 -0.30 3.56 4.05 0.27 -1.30 114.93 122.07 3d29 h MET 52 Ca -0.03 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 3d29 h MET 52 Cb 1.30 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 3d29 h MET 52 CO 0.12 0.52 0.17 1.96 0.23 0.00 0.00 176.91 179.91 3d29 h GLN 53 N 0.51 0.41 -0.40 0.39 4.20 -0.58 -0.23 115.11 119.41 3d29 h GLN 53 Ca 0.14 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 3d29 h GLN 53 Cb 0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3d29 h GLN 53 CO -0.02 0.30 -0.08 1.25 -0.67 0.00 0.00 178.83 179.61 3d29 h HIS 54 N 0.41 0.86 0.00 2.96 2.76 -0.94 -2.80 115.15 118.40 3d29 h HIS 54 Ca 0.11 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 3d29 h HIS 54 Cb 0.01 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 3d29 h HIS 54 CO 0.00 0.89 -0.30 0.82 -1.30 0.00 0.00 177.93 178.03 3d29 h ILE 55 N 0.58 0.93 -0.44 6.26 2.04 -0.20 -2.27 117.51 124.41 3d29 h ILE 55 Ca 0.10 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 3d29 h ILE 55 Cb 0.60 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3d29 h ILE 55 CO 0.04 0.30 0.05 -0.08 0.00 0.00 0.00 178.15 178.45 3d29 h GLU 56 N 0.00 0.75 -0.36 2.37 4.81 -0.84 -1.19 114.58 120.12 3d29 h GLU 56 Ca -0.00 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3d29 h GLU 56 Cb 0.66 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3d29 h GLU 56 CO 0.04 0.79 0.06 -0.09 -0.73 0.00 0.00 179.01 179.08 3d29 h ARG 57 N 0.60 0.59 -0.88 1.92 2.43 -1.24 -1.26 114.38 116.56 3d29 h ARG 57 Ca 0.13 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3d29 h ARG 57 Cb 0.42 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 3d29 h ARG 57 CO 0.01 0.66 0.53 -0.07 -1.51 0.00 0.00 179.97 179.59 3d29 h LEU 58 N 0.43 0.78 -0.27 3.80 3.38 -1.22 0.13 115.31 122.35 3d29 h LEU 58 Ca 0.11 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3d29 h LEU 58 Cb 0.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3d29 h LEU 58 CO 0.01 0.46 0.05 -0.07 0.09 0.00 0.00 178.44 178.97 3d29 h LEU 59 N 0.89 0.42 -0.95 1.67 3.38 -0.80 -1.07 115.31 118.85 3d29 h LEU 59 Ca 0.41 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3d29 h LEU 59 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3d29 h LEU 59 CO -0.23 0.56 -0.07 0.11 0.09 0.00 0.00 178.44 178.91 3d29 h LYS 60 N 0.25 0.69 -0.35 1.13 1.57 -0.58 -2.11 116.57 117.18 3d29 h LYS 60 Ca 0.08 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3d29 h LYS 60 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3d29 h LYS 60 CO 0.00 0.75 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.16 3d29 h ASP 61 N 0.64 0.54 -0.39 0.86 3.32 -0.58 -1.88 116.42 118.93 3d29 h ASP 61 Ca 0.12 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3d29 h ASP 61 Cb 0.50 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3d29 h ASP 61 CO 0.03 0.64 0.19 0.25 -1.72 0.00 0.00 179.24 178.62 3d29 h LEU 62 N 0.53 0.51 -0.94 1.55 6.46 -0.55 0.11 115.31 122.98 3d29 h LEU 62 Ca 0.11 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 3d29 h LEU 62 Cb 0.40 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3d29 h LEU 62 CO 0.02 0.50 0.51 0.58 -0.62 0.00 0.00 178.44 179.42 3d29 h VAL 63 N 0.50 1.26 -0.14 1.05 2.07 -0.94 -0.22 116.25 119.82 3d29 h VAL 63 Ca 0.14 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3d29 h VAL 63 Cb 0.12 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3d29 h VAL 63 CO -0.02 0.28 -0.04 0.74 0.02 0.00 0.00 177.57 178.56 3d29 h THR 64 N 1.26 1.29 -0.53 2.57 2.02 -1.01 -3.09 112.91 115.41 3d29 h THR 64 Ca 0.32 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3d29 h THR 64 Cb 0.00 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3d29 h THR 64 CO -0.05 0.29 0.33 -0.08 0.37 0.00 0.00 175.52 176.37 3d29 h GLU 65 N -0.05 0.72 0.00 6.66 4.57 -0.56 -2.49 114.58 123.43 3d29 h GLU 65 Ca 0.03 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3d29 h GLU 65 Cb 0.46 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3d29 h GLU 65 CO 0.01 0.51 -0.04 -0.97 -1.18 0.00 0.00 179.01 177.34 3d29 h ASN 66 N 0.72 0.00 1.55 1.04 -1.24 -1.05 -1.89 115.58 114.71 3d29 h ASN 66 Ca 0.19 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.11 3d29 h ASN 66 Cb -0.03 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3d29 h ASN 66 CO -0.04 0.04 -0.44 0.00 -1.29 0.00 0.00 177.43 175.71 3d29 h ALA 67 N 1.96 0.72 -2.17 1.57 0.00 -1.36 -3.41 119.26 116.56 3d29 h ALA 67 Ca -0.00 -0.40 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 3d29 h ALA 67 Cb 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.88 3d29 h ALA 67 CO 0.01 0.55 1.04 0.66 0.00 0.00 0.00 179.25 181.51 3d29 n TYR 68 N -3.21 2.37 -2.12 0.00 4.01 -0.71 -1.68 117.16 115.81 3d29 n TYR 68 Ca 0.02 0.01 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 3d29 n TYR 68 Cb 0.71 -2.66 -0.02 0.00 -0.31 0.00 0.00 39.34 37.06 3d29 n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3d29 n ASP 69 N 5.84 -4.34 -4.03 7.72 10.43 -1.26 -4.92 116.55 125.99 3d29 n ASP 69 Ca 0.20 0.20 -0.33 0.00 2.57 0.00 0.00 54.79 57.44 3d29 n ASP 69 Cb 0.31 -3.75 -0.13 0.00 1.84 0.00 0.00 41.12 39.39 3d29 n ASP 69 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3d29 s ASN 70 N -2.11 4.80 0.57 -2.24 2.47 -0.68 -4.95 114.94 112.80 3d29 s ASN 70 Ca 0.00 -2.52 0.33 0.00 0.42 0.00 0.00 52.86 51.09 3d29 s ASN 70 Cb 0.00 -1.71 1.68 0.00 -1.45 0.00 0.00 41.25 39.78 3d29 s ASN 70 CO 0.00 -0.36 2.13 1.55 -3.72 0.00 0.00 177.10 176.70 3d29 h PRO 69 N 7.25 0.00 -0.64 0.43 0.13 -1.91 -2.45 132.00 134.81 3d29 h PRO 69 Ca -0.06 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.88 3d29 h PRO 69 Cb 0.97 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 3d29 h PRO 69 CO 0.64 0.06 0.20 1.28 -0.23 0.00 0.00 178.00 179.95 3d29 n LEU 69 N -3.39 5.64 -0.18 1.56 4.77 -1.26 -4.69 117.00 119.46 3d29 n LEU 69 Ca -0.02 -3.25 0.23 0.00 -0.03 0.00 0.00 56.01 52.95 3d29 n LEU 69 Cb 0.21 -0.71 0.63 0.00 -2.33 0.00 0.00 43.42 41.22 3d29 n LEU 69 CO 0.27 0.83 1.23 0.00 -1.33 0.00 0.00 177.39 178.39 3d29 h ALA 70 N 2.43 2.52 -0.37 -1.18 0.00 -1.63 0.41 119.26 121.45 3d29 h ALA 70 Ca 0.22 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 3d29 h ALA 70 Cb 2.16 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.83 3d29 h ALA 70 CO 0.64 -0.77 -0.27 -0.40 0.00 0.00 0.00 179.25 178.44 3d29 n ASP 71 N -4.39 2.97 0.00 0.00 5.68 -1.26 -3.52 116.55 116.03 3d29 n ASP 71 Ca 0.17 -3.82 0.00 0.00 -0.50 0.00 0.00 54.79 50.64 3d29 n ASP 71 Cb 0.79 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3d29 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d29 n ALA 72 N -1.04 2.18 0.00 2.12 0.00 0.02 -4.93 120.51 118.86 3d29 n ALA 72 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3d29 n ALA 72 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 3d29 n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d29 n GLU 71 N -2.23 0.00 -2.72 0.00 -0.58 -0.53 -4.92 120.64 109.66 3d29 n GLU 71 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 3d29 n GLU 71 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3d29 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d29 s ALA 71 N 0.00 3.46 0.18 0.62 0.00 -1.20 -4.34 121.76 120.48 3d29 s ALA 71 Ca 0.00 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 3d29 s ALA 71 Cb 0.00 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.53 3d29 s ALA 71 CO 0.00 -0.39 1.55 -0.51 0.00 0.00 0.00 175.76 176.41 3d29 s LEU 74 N -4.71 4.37 0.09 0.00 1.43 -1.26 -5.01 118.68 113.58 3d29 s LEU 74 Ca 0.48 2.63 -0.01 0.00 -1.03 0.00 0.00 54.13 56.20 3d29 s LEU 74 Cb -0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3d29 s LEU 74 CO 0.43 -0.81 0.26 -1.61 0.23 0.00 0.00 176.35 174.85 3d29 s GLU 75 N 0.85 3.48 0.24 1.70 0.41 -1.26 -4.93 118.70 119.19 3d29 s GLU 75 Ca 0.68 -0.36 -0.05 0.00 -0.41 0.00 0.00 54.97 54.82 3d29 s GLU 75 Cb -0.43 -2.98 0.38 0.00 -1.78 0.00 0.00 34.13 29.31 3d29 s GLU 75 CO 0.34 0.57 1.79 -1.35 -0.49 0.00 0.00 175.26 176.11 3d29 h PRO 76 N 2.93 0.65 -0.29 0.39 0.11 -1.83 -0.71 132.00 133.25 3d29 h PRO 76 Ca -0.45 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3d29 h PRO 76 Cb 1.16 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3d29 h PRO 76 CO 0.75 0.43 0.20 0.66 -0.21 0.00 0.00 178.00 179.83 3d29 h SER 77 N 0.67 0.13 -0.14 -2.05 4.64 -1.95 -1.32 113.55 113.52 3d29 h SER 77 Ca 0.38 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.58 3d29 h SER 77 Cb 0.40 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3d29 h SER 77 CO -0.27 0.08 -0.39 1.88 -0.87 0.00 0.00 176.83 177.26 3d29 h TYR 78 N 0.14 0.65 -0.77 4.77 0.05 -1.53 -2.33 116.97 117.95 3d29 h TYR 78 Ca 0.13 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.67 3d29 h TYR 78 Cb 0.34 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 3d29 h TYR 78 CO -0.00 1.00 0.51 0.82 -1.05 0.00 0.00 178.16 179.44 3d29 h ILE 79 N 0.12 1.18 0.44 -2.88 2.04 -1.01 -1.88 117.51 115.50 3d29 h ILE 79 Ca -0.01 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3d29 h ILE 79 Cb 1.00 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3d29 h ILE 79 CO 0.08 0.19 -0.21 0.15 0.00 0.00 0.00 178.15 178.36 3d29 h PHE 80 N 1.03 -0.54 -0.96 1.37 3.04 -1.25 -2.01 116.94 117.61 3d29 h PHE 80 Ca 0.29 -0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.42 3d29 h PHE 80 Cb -0.09 0.18 -0.11 0.00 2.56 0.00 0.00 35.95 38.50 3d29 h PHE 80 CO -0.02 -0.23 0.55 1.49 -2.02 0.00 0.00 178.31 178.08 3d29 h GLU 81 N -0.85 0.66 0.81 1.11 4.57 -1.31 0.51 114.58 120.08 3d29 h GLU 81 Ca -0.06 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3d29 h GLU 81 Cb 0.56 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3d29 h GLU 81 CO 0.10 0.44 -0.40 -0.92 -1.18 0.00 0.00 179.01 177.04 3d29 h TYR 82 N 0.68 -1.04 -0.80 0.92 3.20 -1.26 0.52 116.97 119.19 3d29 h TYR 82 Ca 0.56 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.47 3d29 h TYR 82 Cb 0.89 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.45 3d29 h TYR 82 CO -0.04 -0.64 0.47 -0.07 -1.64 0.00 0.00 178.16 176.25 3d29 h LEU 83 N -1.10 0.73 -0.60 2.82 3.38 -0.46 0.11 115.31 120.18 3d29 h LEU 83 Ca -0.11 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3d29 h LEU 83 Cb 0.85 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3d29 h LEU 83 CO 0.17 0.46 0.37 0.00 0.09 0.00 0.00 178.44 179.53 3d29 h ALA 84 N 1.40 0.77 0.23 1.53 0.00 0.17 0.26 119.26 123.62 3d29 h ALA 84 Ca 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3d29 h ALA 84 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3d29 h ALA 84 CO -0.19 0.11 -0.18 1.15 0.00 0.00 0.00 179.25 180.14 3d29 h THR 85 N 0.72 0.61 -0.57 0.00 2.02 0.27 -0.65 112.91 115.30 3d29 h THR 85 Ca 0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 3d29 h THR 85 Cb 0.02 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3d29 h THR 85 CO -0.10 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.72 3d29 h VAL 86 N -0.43 1.07 -0.36 3.16 2.07 -0.48 -1.25 116.25 120.03 3d29 h VAL 86 Ca -0.01 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3d29 h VAL 86 Cb 0.38 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3d29 h VAL 86 CO -0.01 0.13 0.23 0.24 0.02 0.00 0.00 177.57 178.18 3d29 h MET 87 N 0.69 0.46 -0.25 1.57 2.86 -0.18 -1.20 114.93 118.88 3d29 h MET 87 Ca 0.23 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 3d29 h MET 87 Cb 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3d29 h MET 87 CO -0.10 0.30 -0.30 -0.92 1.06 0.00 0.00 176.91 176.96 3d29 h TYR 88 N 0.47 0.57 -0.32 -0.22 5.03 -0.86 -2.32 116.97 119.32 3d29 h TYR 88 Ca 0.14 -0.13 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 3d29 h TYR 88 Cb -0.04 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 3d29 h TYR 88 CO -0.06 0.75 -0.01 1.96 -1.32 0.00 0.00 178.16 179.48 3d29 h GLN 89 N 0.44 0.57 -0.89 1.82 4.20 -0.94 -1.82 115.11 118.49 3d29 h GLN 89 Ca 0.06 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3d29 h GLN 89 Cb 0.74 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3d29 h GLN 89 CO 0.06 0.71 0.47 0.00 -0.67 0.00 0.00 178.83 179.39 3d29 h ARG 90 N 0.37 1.25 -0.00 1.46 2.47 -1.11 -1.01 114.38 117.80 3d29 h ARG 90 Ca 0.09 -0.16 -0.11 0.00 -1.26 0.00 0.00 59.98 58.54 3d29 h ARG 90 Cb 0.46 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 3d29 h ARG 90 CO 0.02 0.93 -0.53 0.07 0.56 0.00 0.00 179.97 181.01 3d29 h ARG 91 N 1.25 0.01 0.00 0.04 -0.00 -1.35 -1.40 114.38 112.94 3d29 h ARG 91 Ca 0.31 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 60.23 3d29 h ARG 91 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.02 3d29 h ARG 91 CO -0.05 0.54 -0.24 0.77 -0.00 0.00 0.00 179.97 181.00 3d29 h SER 92 N 0.01 0.00 -0.43 0.08 0.02 -0.45 -1.95 113.55 110.83 3d29 h SER 92 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3d29 h SER 92 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3d29 h SER 92 CO 0.07 0.24 0.00 0.29 -1.14 0.00 0.00 176.83 176.29 3d29 n LYS 92 N -3.38 2.15 -2.51 3.45 5.02 -0.47 -4.92 118.16 117.50 3d29 n LYS 92 Ca 0.00 -1.78 -0.18 0.00 -2.02 0.00 0.00 58.31 54.34 3d29 n LYS 92 Cb 0.45 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3d29 n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3d29 n MET 92 N 0.95 -2.26 -3.10 1.97 2.81 -0.73 -4.90 117.12 111.86 3d29 n MET 92 Ca 0.17 0.82 -0.20 0.00 -1.81 0.00 0.00 57.70 56.69 3d29 n MET 92 Cb 0.44 -5.32 -0.04 0.00 -0.71 0.00 0.00 33.22 27.59 3d29 n MET 92 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3d29 n ASN 93 N -1.49 -0.91 -4.80 7.83 4.05 -0.56 0.62 115.26 119.99 3d29 n ASN 93 Ca -0.17 -2.77 -0.31 0.00 0.45 0.00 0.00 54.58 51.77 3d29 n ASN 93 Cb 0.64 0.09 0.05 0.00 1.23 0.00 0.00 39.78 41.80 3d29 n ASN 93 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3d29 s PRO 94 N -0.36 2.82 -0.38 1.20 0.04 -1.20 -4.53 135.00 132.59 3d29 s PRO 94 Ca 0.34 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.26 3d29 s PRO 94 Cb 0.14 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.72 3d29 s PRO 94 CO -0.15 -1.20 0.65 -0.51 0.04 0.00 0.00 177.00 175.83 3d29 s LEU 95 N -5.39 4.30 -1.16 -3.56 1.43 -1.26 -4.93 118.68 108.12 3d29 s LEU 95 Ca 0.61 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 3d29 s LEU 95 Cb -0.16 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 3d29 s LEU 95 CO 0.51 -0.66 2.19 1.87 0.23 0.00 0.00 176.35 180.49 3d29 n TRP 96 N 6.15 2.50 -4.15 0.29 -0.00 -1.26 -4.29 117.44 116.67 3d29 n TRP 96 Ca -0.01 -2.43 -0.10 0.00 -0.00 0.00 0.00 57.50 54.96 3d29 n TRP 96 Cb 0.48 -2.12 -0.10 0.00 -0.00 0.00 0.00 31.31 29.57 3d29 n TRP 96 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3d29 s ASN 97 N 3.76 0.24 -0.08 5.87 -0.87 -1.26 -0.63 114.94 121.98 3d29 s ASN 97 Ca 0.53 -1.24 0.03 0.00 -1.57 0.00 0.00 52.86 50.60 3d29 s ASN 97 Cb 0.14 0.33 0.01 0.00 -0.02 0.00 0.00 41.25 41.71 3d29 s ASN 97 CO -0.00 -0.77 -0.18 0.00 -2.57 0.00 0.00 177.10 173.57 3d29 s ALA 98 N -4.08 1.67 0.02 0.60 0.00 -0.92 -0.38 121.76 118.67 3d29 s ALA 98 Ca 0.28 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3d29 s ALA 98 Cb 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3d29 s ALA 98 CO 0.05 0.21 -0.15 0.42 0.00 0.00 0.00 175.76 176.29 3d29 s ILE 99 N 0.43 1.22 -0.11 0.00 1.01 0.13 -1.65 121.20 122.24 3d29 s ILE 99 Ca -0.15 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3d29 s ILE 99 Cb -0.16 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.27 3d29 s ILE 99 CO 0.06 0.18 -0.13 -0.63 0.00 0.00 0.00 174.94 174.42 3d29 s ILE 100 N -0.62 1.33 -0.26 2.92 1.01 -0.70 -0.97 121.20 123.91 3d29 s ILE 100 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 3d29 s ILE 100 Cb -0.07 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3d29 s ILE 100 CO 0.01 0.41 0.13 -0.69 0.00 0.00 0.00 174.94 174.79 3d29 s VAL 101 N 1.16 4.79 -0.02 2.92 1.01 0.43 -1.22 120.40 129.46 3d29 s VAL 101 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.01 3d29 s VAL 101 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3d29 s VAL 101 CO -0.03 0.30 -0.26 0.00 0.00 0.00 0.00 175.10 175.11 3d29 s ALA 102 N 1.64 2.16 0.00 5.51 0.00 -0.11 -1.97 121.76 129.00 3d29 s ALA 102 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3d29 s ALA 102 Cb -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3d29 s ALA 102 CO 0.07 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.77 3d29 n GLY 103 N 2.44 -1.42 3.10 0.00 0.00 -0.17 0.40 105.19 109.55 3d29 n GLY 103 Ca -0.16 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 3d29 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 104 N -2.58 1.69 0.88 1.61 1.01 -0.61 0.65 120.40 123.06 3d29 s VAL 104 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3d29 s VAL 104 Cb 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.98 3d29 s VAL 104 CO 0.00 0.48 1.09 -1.10 0.00 0.00 0.00 175.10 175.57 3d29 s GLN 105 N 0.87 1.35 0.51 2.72 -1.52 0.12 -4.66 119.66 119.04 3d29 s GLN 105 Ca -0.08 0.98 0.19 0.00 -1.95 0.00 0.00 55.36 54.51 3d29 s GLN 105 Cb -0.15 -1.81 1.30 0.00 -0.22 0.00 0.00 33.01 32.13 3d29 s GLN 105 CO -0.01 -2.22 2.10 0.66 -0.25 0.00 0.00 175.29 175.57 3d29 h SER 10 N -1.54 0.00 -0.19 5.90 4.64 -1.97 -0.08 113.55 120.30 3d29 h SER 10 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3d29 h SER 10 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3d29 h SER 10 CO 0.52 0.08 0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 3d29 n ASN 10 N -4.22 1.02 0.00 4.97 6.94 -1.26 -4.88 115.26 117.83 3d29 n ASN 10 Ca -0.03 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 3d29 n ASN 10 Cb 0.16 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3d29 n ASN 10 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d29 n GLY 106 N 0.79 2.90 3.72 4.83 0.00 -0.04 -5.04 105.19 112.34 3d29 n GLY 106 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3d29 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d29 n ASP 107 N 0.00 2.92 -4.78 1.61 10.43 -1.26 -4.61 116.55 120.87 3d29 n ASP 107 Ca 0.00 1.18 -0.37 0.00 2.57 0.00 0.00 54.79 58.17 3d29 n ASP 107 Cb 0.00 -1.52 -0.05 0.00 1.84 0.00 0.00 41.12 41.39 3d29 n ASP 107 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3d29 s GLN 108 N -2.05 4.41 -0.09 -1.24 1.11 -1.26 0.12 119.66 120.66 3d29 s GLN 108 Ca 0.57 1.45 0.02 0.00 0.01 0.00 0.00 55.36 57.41 3d29 s GLN 108 Cb -0.53 -2.72 0.02 0.00 -1.01 0.00 0.00 33.01 28.76 3d29 s GLN 108 CO 0.61 0.09 -0.12 0.12 0.01 0.00 0.00 175.29 176.00 3d29 s PHE 109 N -1.59 1.63 -0.20 0.91 2.19 0.21 -4.83 117.98 116.30 3d29 s PHE 109 Ca 0.53 -0.70 -0.05 0.00 0.33 0.00 0.00 56.93 57.04 3d29 s PHE 109 Cb -0.21 -1.22 0.10 0.00 -1.31 0.00 0.00 43.02 40.38 3d29 s PHE 109 CO 0.27 -0.38 0.35 -1.17 1.83 0.00 0.00 175.22 176.12 3d29 s LEU 110 N 0.95 -0.51 0.04 6.12 2.96 -1.25 -1.00 118.68 125.99 3d29 s LEU 110 Ca -0.09 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 3d29 s LEU 110 Cb -0.15 1.03 0.01 0.00 0.50 0.00 0.00 46.19 47.58 3d29 s LEU 110 CO 0.00 -0.27 0.23 -0.60 -1.32 0.00 0.00 176.35 174.40 3d29 s ARG 111 N 2.52 0.74 0.14 1.98 3.52 -0.83 -4.48 118.95 122.53 3d29 s ARG 111 Ca 0.05 -0.59 0.11 0.00 -0.13 0.00 0.00 55.73 55.17 3d29 s ARG 111 Cb -0.14 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 3d29 s ARG 111 CO -0.13 -0.22 -0.26 -0.47 -0.81 0.00 0.00 175.30 173.41 3d29 s TYR 112 N -2.57 2.29 -0.20 5.12 5.04 -0.46 -0.43 117.35 126.13 3d29 s TYR 112 Ca -0.05 -0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 54.04 3d29 s TYR 112 Cb -0.01 -1.22 0.06 0.00 0.35 0.00 0.00 41.96 41.14 3d29 s TYR 112 CO -0.04 0.36 0.53 0.54 -1.34 0.00 0.00 175.55 175.60 3d29 s VAL 113 N -1.17 -0.01 0.31 3.14 0.11 -0.15 -2.53 120.40 120.11 3d29 s VAL 113 Ca 0.15 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 3d29 s VAL 113 Cb -0.10 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 3d29 s VAL 113 CO 0.07 0.01 0.03 -0.46 -3.33 0.00 0.00 175.10 171.41 3d29 n ASN 114 N 3.29 2.77 0.14 3.54 0.23 -1.06 0.20 115.26 124.38 3d29 n ASN 114 Ca -0.16 -2.34 0.08 0.00 -0.53 0.00 0.00 54.58 51.63 3d29 n ASN 114 Cb 0.56 0.19 0.43 0.00 -2.08 0.00 0.00 39.78 38.89 3d29 n ASN 114 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d29 n LEU 115 N 0.00 0.41 0.00 -4.53 -0.00 0.49 -0.22 117.00 113.15 3d29 n LEU 115 Ca -0.12 0.65 0.11 0.00 -0.00 0.00 0.00 56.01 56.65 3d29 n LEU 115 Cb 0.39 -0.67 0.07 0.00 -0.00 0.00 0.00 43.42 43.21 3d29 n LEU 115 CO 0.21 -0.79 0.19 0.18 -0.00 0.00 0.00 177.39 177.18 3d29 n LEU 116 N -2.07 0.72 0.00 1.47 4.77 -1.26 -4.42 117.00 116.20 3d29 n LEU 116 Ca -0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3d29 n LEU 116 Cb 0.13 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3d29 n LEU 116 CO 0.07 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3d29 n GLY 117 N 1.48 0.75 3.77 -0.72 0.00 0.69 -4.74 105.19 106.42 3d29 n GLY 117 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3d29 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 118 N -2.52 3.13 0.02 1.61 1.01 -1.26 -4.79 120.40 117.60 3d29 s VAL 118 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.02 3d29 s VAL 118 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3d29 s VAL 118 CO 0.00 0.17 -0.04 0.42 0.00 0.00 0.00 175.10 175.65 3d29 s THR 119 N -1.29 0.23 0.03 3.92 -4.23 -1.26 -2.55 115.64 110.48 3d29 s THR 119 Ca 0.52 -0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 59.83 3d29 s THR 119 Cb -0.33 -0.35 0.09 0.00 1.34 0.00 0.00 72.50 73.26 3d29 s THR 119 CO 0.43 -0.44 0.96 -0.72 -0.54 0.00 0.00 174.62 174.30 3d29 s TYR 120 N -1.37 -0.25 0.10 3.99 -0.85 -1.05 -4.99 117.35 112.93 3d29 s TYR 120 Ca -0.14 0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 3d29 s TYR 120 Cb -0.10 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 3d29 s TYR 120 CO -0.01 -0.59 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.19 3d29 s SER 121 N -2.63 1.72 0.10 -0.18 0.01 -1.26 -1.35 113.70 110.11 3d29 s SER 121 Ca 0.08 -0.73 -0.25 0.00 1.31 0.00 0.00 55.95 56.35 3d29 s SER 121 Cb -0.01 -0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.26 3d29 s SER 121 CO -0.05 -0.15 0.76 -0.55 0.41 0.00 0.00 173.24 173.66 3d29 s SER 122 N -2.17 -0.43 0.60 2.44 0.15 -1.26 -5.02 113.70 108.01 3d29 s SER 122 Ca 0.04 -0.08 0.34 0.00 0.70 0.00 0.00 55.95 56.94 3d29 s SER 122 Cb -0.06 0.51 1.93 0.00 -1.71 0.00 0.00 66.02 66.69 3d29 s SER 122 CO 0.02 -0.85 2.25 -0.65 1.20 0.00 0.00 173.24 175.21 3d29 h PRO 123 N 2.00 0.00 -5.05 5.44 0.11 -1.96 -3.41 132.00 129.12 3d29 h PRO 123 Ca -0.27 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.47 3d29 h PRO 123 Cb 1.27 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.16 3d29 h PRO 123 CO 0.33 0.02 -0.77 0.95 -0.21 0.00 0.00 178.00 178.32 3d29 s THR 124 N -4.39 0.90 -0.12 -1.15 -4.23 -1.26 -1.90 115.64 103.50 3d29 s THR 124 Ca -0.04 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 3d29 s THR 124 Cb 0.14 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 73.12 3d29 s THR 124 CO 0.51 -0.24 0.32 -0.76 -0.54 0.00 0.00 174.62 173.91 3d29 s LEU 125 N -1.56 0.79 -0.05 4.79 1.43 -0.47 -4.98 118.68 118.64 3d29 s LEU 125 Ca -0.04 0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 53.47 3d29 s LEU 125 Cb -0.09 1.09 0.04 0.00 0.03 0.00 0.00 46.19 47.26 3d29 s LEU 125 CO 0.01 -0.12 0.47 0.00 0.23 0.00 0.00 176.35 176.95 3d29 s ALA 126 N 0.12 -1.21 0.20 4.21 0.00 -1.26 -0.51 121.76 123.30 3d29 s ALA 126 Ca -0.00 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.84 3d29 s ALA 126 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3d29 s ALA 126 CO 0.01 -0.30 0.14 0.95 0.00 0.00 0.00 175.76 176.56 3d29 s THR 127 N -1.12 4.38 0.00 0.00 -4.23 0.03 -4.05 115.64 110.65 3d29 s THR 127 Ca -0.11 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3d29 s THR 127 Cb -0.03 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.53 3d29 s THR 127 CO 0.06 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3d29 n GLY 128 N -0.63 3.12 0.38 3.99 0.00 -1.26 -1.82 105.19 108.97 3d29 n GLY 128 Ca -0.08 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.04 3d29 n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3d29 h PHE 129 N 0.00 0.41 0.00 1.61 3.04 -1.95 -0.69 116.94 119.36 3d29 h PHE 129 Ca 0.00 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 3d29 h PHE 129 Cb 0.00 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 3d29 h PHE 129 CO 0.00 0.16 -0.11 0.78 -2.02 0.00 0.00 178.31 177.11 3d29 h GLY 130 N 0.35 0.00 1.51 2.40 0.00 -1.70 -1.98 103.07 103.66 3d29 h GLY 130 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.57 3d29 h GLY 130 CO -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.12 3d29 h ALA 131 N 1.89 0.96 0.16 3.60 0.00 -1.16 0.15 119.26 124.86 3d29 h ALA 131 Ca -0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 3d29 h ALA 131 Cb 0.43 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3d29 h ALA 131 CO 0.01 0.61 -1.42 0.45 0.00 0.00 0.00 179.25 178.90 3d29 h HIS 132 N 0.48 0.63 0.00 0.00 -0.00 -1.50 -3.36 115.15 111.40 3d29 h HIS 132 Ca 0.06 -0.46 -0.23 0.00 -0.00 0.00 0.00 60.37 59.74 3d29 h HIS 132 Cb 0.78 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.13 3d29 h HIS 132 CO 0.03 1.41 -1.86 -1.33 -0.00 0.00 0.00 177.93 176.19 3d29 n MET 133 N -3.56 1.67 -0.05 2.45 2.81 -0.80 -4.57 117.12 115.07 3d29 n MET 133 Ca -0.14 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.62 3d29 n MET 133 Cb 1.06 -1.32 -0.12 0.00 -0.71 0.00 0.00 33.22 32.13 3d29 n MET 133 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d29 h ALA 134 N 0.49 0.00 -0.49 3.04 0.00 -0.91 -3.33 119.26 118.05 3d29 h ALA 134 Ca -0.34 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.22 3d29 h ALA 134 Cb 1.72 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.43 3d29 h ALA 134 CO 0.00 -0.03 -0.05 -0.91 0.00 0.00 0.00 179.25 178.27 3d29 h ASN 135 N -0.80 -0.31 -0.98 0.00 2.35 -1.58 0.26 115.58 114.52 3d29 h ASN 135 Ca -0.01 0.13 0.20 0.00 -0.55 0.00 0.00 56.30 56.07 3d29 h ASN 135 Cb 0.92 0.25 -0.09 0.00 0.05 0.00 0.00 38.32 39.44 3d29 h ASN 135 CO 0.01 -0.11 0.62 -0.65 -1.65 0.00 0.00 177.43 175.65 3d29 h PRO 136 N 0.07 0.62 0.21 0.81 0.11 -1.81 0.26 132.00 132.27 3d29 h PRO 136 Ca 0.25 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3d29 h PRO 136 Cb 0.37 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3d29 h PRO 136 CO -0.45 0.41 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.58 3d29 h LEU 137 N 0.64 -0.24 -1.53 2.35 3.38 -1.16 -3.30 115.31 115.45 3d29 h LEU 137 Ca 0.55 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.41 3d29 h LEU 137 Cb 1.03 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3d29 h LEU 137 CO -0.32 0.29 0.43 -0.07 0.09 0.00 0.00 178.44 178.86 3d29 h LEU 138 N -0.99 0.49 -1.66 1.67 3.38 -0.65 -0.80 115.31 116.74 3d29 h LEU 138 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d29 h LEU 138 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3d29 h LEU 138 CO 0.05 0.30 0.00 0.03 0.09 0.00 0.00 178.44 178.91 3d29 h ARG 139 N 0.55 0.00 0.00 1.13 3.08 -0.60 -1.28 114.38 117.26 3d29 h ARG 139 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3d29 h ARG 139 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3d29 h ARG 139 CO -0.09 0.00 -0.08 0.87 -1.07 0.00 0.00 179.97 179.60 3d29 h LYS 140 N 0.00 0.00 0.00 0.04 1.57 -1.22 -1.99 116.57 114.97 3d29 h LYS 140 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3d29 h LYS 140 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3d29 h LYS 140 CO 0.00 0.08 -1.18 0.28 -0.57 0.00 0.00 179.45 178.05 3d29 h VAL 141 N 0.00 0.87 -3.19 0.50 2.07 -1.35 -3.42 116.25 111.74 3d29 h VAL 141 Ca -0.00 -2.11 -0.63 0.00 0.82 0.00 0.00 66.70 64.79 3d29 h VAL 141 Cb 0.70 2.10 -0.42 0.00 -1.52 0.00 0.00 31.29 32.16 3d29 h VAL 141 CO 0.01 0.30 -0.60 0.68 0.02 0.00 0.00 177.57 177.98 3d29 s VAL 14 N -2.35 2.74 -0.37 2.57 -7.23 -0.89 -4.90 120.40 109.98 3d29 s VAL 14 Ca -0.28 -3.89 0.21 0.00 -1.81 0.00 0.00 61.98 56.21 3d29 s VAL 14 Cb 0.05 -2.84 0.26 0.00 0.56 0.00 0.00 36.38 34.42 3d29 s VAL 14 CO 0.57 -0.93 1.56 -0.78 -0.31 0.00 0.00 175.10 175.20 3d29 h ASP 14 N 5.82 0.00 -5.08 4.85 -0.00 -1.62 -3.42 116.42 116.97 3d29 h ASP 14 Ca 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.03 57.11 3d29 h ASP 14 Cb 0.81 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 40.07 3d29 h ASP 14 CO 0.70 0.13 0.11 0.00 -0.00 0.00 0.00 179.24 180.17 3d29 s ARG 14 N -3.15 1.66 0.27 0.28 3.03 -1.26 -5.05 118.95 114.73 3d29 s ARG 14 Ca 0.06 -1.04 -0.01 0.00 2.03 0.00 0.00 55.73 56.78 3d29 s ARG 14 Cb 0.06 0.56 0.60 0.00 -1.03 0.00 0.00 34.95 35.14 3d29 s ARG 14 CO 0.69 -0.74 1.69 1.49 -1.13 0.00 0.00 175.30 177.30 3d29 h GLU 14 N 2.09 0.31 0.00 3.89 4.57 -2.03 -0.04 114.58 123.38 3d29 h GLU 14 Ca -0.23 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3d29 h GLU 14 Cb 1.25 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3d29 h GLU 14 CO 0.29 0.21 0.00 -1.13 -1.18 0.00 0.00 179.01 177.19 3d29 n SER 14 N -5.12 0.00 0.09 1.04 3.41 -1.26 -1.89 113.62 109.89 3d29 n SER 14 Ca 0.18 0.29 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 3d29 n SER 14 Cb 0.56 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3d29 n SER 14 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3d29 h ASP 14 N 0.00 0.00 0.39 4.04 3.45 -1.35 -3.40 116.42 119.55 3d29 h ASP 14 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3d29 h ASP 14 Cb 0.08 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 3d29 h ASP 14 CO 0.00 0.31 -0.48 0.40 -1.57 0.00 0.00 179.24 177.89 3d29 h ILE 14 N 0.00 0.06 0.00 0.35 1.08 -1.48 -2.08 117.51 115.44 3d29 h ILE 14 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3d29 h ILE 14 Cb 1.29 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3d29 h ILE 14 CO 0.03 0.00 0.07 1.55 -0.69 0.00 0.00 178.15 179.11 3d29 h PRO 144 N -0.90 0.00 -0.01 2.37 0.13 -1.77 -0.53 132.00 131.28 3d29 h PRO 144 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3d29 h PRO 144 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3d29 h PRO 144 CO -0.12 0.00 -0.13 1.63 -0.23 0.00 0.00 178.00 179.15 3d29 n LYS 145 N -2.99 1.26 -3.80 0.86 5.02 -0.81 -4.71 118.16 112.99 3d29 n LYS 145 Ca -0.03 -0.74 -0.36 0.00 -2.02 0.00 0.00 58.31 55.16 3d29 n LYS 145 Cb 0.14 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 3d29 n LYS 145 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3d29 s THR 146 N -2.25 5.01 0.49 -0.18 2.01 -0.25 -5.02 115.64 115.44 3d29 s THR 146 Ca 0.31 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3d29 s THR 146 Cb 0.20 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.41 3d29 s THR 146 CO 0.43 0.39 0.71 0.42 -0.69 0.00 0.00 174.62 175.88 3d29 s THR 147 N 0.85 3.46 0.25 -0.82 -4.23 -1.26 -1.14 115.64 112.75 3d29 s THR 147 Ca 0.06 -0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 3d29 s THR 147 Cb -0.13 -3.28 0.25 0.00 1.34 0.00 0.00 72.50 70.68 3d29 s THR 147 CO 0.03 -0.20 1.92 0.58 -0.54 0.00 0.00 174.62 176.41 3d29 h VAL 148 N 0.27 1.23 0.57 2.29 2.07 -1.98 -1.02 116.25 119.68 3d29 h VAL 148 Ca -0.44 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3d29 h VAL 148 Cb 1.27 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3d29 h VAL 148 CO 0.55 0.24 -0.31 1.56 0.02 0.00 0.00 177.57 179.63 3d29 h GLN 149 N 1.31 -0.79 0.16 1.57 7.50 -1.98 0.29 115.11 123.16 3d29 h GLN 149 Ca 0.37 0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.59 3d29 h GLN 149 Cb -0.11 0.18 -0.04 0.00 0.05 0.00 0.00 27.48 27.56 3d29 h GLN 149 CO -0.09 -0.53 -0.39 0.28 -1.50 0.00 0.00 178.83 176.60 3d29 h VAL 150 N -0.82 0.20 -0.30 -0.54 2.07 -1.89 -1.07 116.25 113.89 3d29 h VAL 150 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3d29 h VAL 150 Cb 0.65 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3d29 h VAL 150 CO 0.10 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.63 3d29 h ALA 151 N -0.15 0.21 -0.39 1.67 0.00 -1.10 0.44 119.26 119.94 3d29 h ALA 151 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3d29 h ALA 151 Cb 0.67 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3d29 h ALA 151 CO -0.21 -0.45 0.19 1.49 0.00 0.00 0.00 179.25 180.27 3d29 h GLU 152 N 0.02 0.54 -0.31 0.00 4.81 -0.25 -0.43 114.58 118.96 3d29 h GLU 152 Ca 0.15 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 3d29 h GLU 152 Cb 0.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3d29 h GLU 152 CO -0.30 0.42 -0.27 1.49 -0.73 0.00 0.00 179.01 179.62 3d29 h GLU 153 N 0.54 0.73 -0.67 1.92 4.81 -0.16 -0.46 114.58 121.29 3d29 h GLU 153 Ca 0.14 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3d29 h GLU 153 Cb 0.05 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3d29 h GLU 153 CO -0.02 0.99 0.40 0.00 -0.73 0.00 0.00 179.01 179.66 3d29 h ALA 154 N 0.73 0.86 -0.44 2.92 0.00 -0.12 -1.11 119.26 122.10 3d29 h ALA 154 Ca 0.05 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3d29 h ALA 154 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3d29 h ALA 154 CO 0.07 0.33 -0.29 0.82 0.00 0.00 0.00 179.25 180.18 3d29 h ILE 155 N 0.92 1.27 -0.25 0.00 2.04 -1.02 -1.74 117.51 118.72 3d29 h ILE 155 Ca 0.24 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 3d29 h ILE 155 Cb -0.03 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3d29 h ILE 155 CO -0.05 0.50 -0.15 0.58 0.00 0.00 0.00 178.15 179.03 3d29 h VAL 156 N 0.82 1.23 -0.29 1.67 2.07 -0.76 -1.95 116.25 119.05 3d29 h VAL 156 Ca 0.09 -1.02 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 3d29 h VAL 156 Cb 0.88 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3d29 h VAL 156 CO 0.08 0.33 -0.45 -1.13 0.02 0.00 0.00 177.57 176.42 3d29 h ASN 157 N 0.40 0.89 -0.99 0.57 -0.73 -1.06 -2.63 115.58 112.03 3d29 h ASN 157 Ca 0.07 -0.51 0.01 0.00 1.87 0.00 0.00 56.30 57.73 3d29 h ASN 157 Cb 0.50 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.79 3d29 h ASN 157 CO 0.03 1.23 0.64 0.00 -0.37 0.00 0.00 177.43 178.96 3d29 h ALA 158 N 0.68 1.27 -0.42 1.57 0.00 -1.01 -0.66 119.26 120.69 3d29 h ALA 158 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 158 Cb 1.05 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3d29 h ALA 158 CO 0.10 0.67 0.13 0.52 0.00 0.00 0.00 179.25 180.67 3d29 h MET 159 N 1.34 0.62 -0.07 0.00 2.86 -1.20 -0.31 114.93 118.18 3d29 h MET 159 Ca 0.36 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 3d29 h MET 159 Cb -0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 3d29 h MET 159 CO -0.08 0.54 -0.03 -0.09 1.06 0.00 0.00 176.91 178.32 3d29 h ARG 160 N 0.61 0.14 -0.67 1.72 2.43 -0.88 -2.07 114.38 115.65 3d29 h ARG 160 Ca 0.14 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 3d29 h ARG 160 Cb 0.19 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 3d29 h ARG 160 CO -0.01 0.50 0.29 0.28 -1.51 0.00 0.00 179.97 179.51 3d29 h VAL 161 N -0.23 0.77 0.00 0.20 2.07 -0.64 0.39 116.25 118.80 3d29 h VAL 161 Ca 0.02 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3d29 h VAL 161 Cb 0.45 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3d29 h VAL 161 CO 0.01 0.09 -0.18 -0.07 0.02 0.00 0.00 177.57 177.44 3d29 h LEU 162 N 0.48 0.00 -0.70 2.57 3.38 -0.96 -0.14 115.31 119.94 3d29 h LEU 162 Ca 0.34 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 3d29 h LEU 162 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3d29 h LEU 162 CO -0.31 0.18 -0.37 0.22 0.09 0.00 0.00 178.44 178.24 3d29 h TYR 163 N 0.00 0.00 -0.07 1.13 3.20 -0.23 -1.19 116.97 119.81 3d29 h TYR 163 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3d29 h TYR 163 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3d29 h TYR 163 CO 0.00 0.37 -0.26 1.88 -1.64 0.00 0.00 178.16 178.51 3d29 h TYR 164 N 0.00 0.39 -0.00 -3.82 0.05 -0.06 -3.40 116.97 110.14 3d29 h TYR 164 Ca -0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3d29 h TYR 164 Cb 1.00 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3d29 h TYR 164 CO 0.00 0.88 -0.46 0.54 -1.05 0.00 0.00 178.16 178.07 3d29 n ARG 165 N -4.48 3.69 -3.44 4.88 5.12 -0.91 -4.94 116.66 116.57 3d29 n ARG 165 Ca -0.08 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.42 3d29 n ARG 165 Cb 0.46 -0.97 -0.10 0.00 -1.16 0.00 0.00 32.46 30.70 3d29 n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3d29 s ASP 166 N -1.92 6.14 0.00 0.55 3.68 -0.45 -4.95 116.67 119.71 3d29 s ASP 166 Ca 0.04 -0.36 0.21 0.00 2.13 0.00 0.00 52.55 54.57 3d29 s ASP 166 Cb 0.08 -2.18 1.27 0.00 -1.45 0.00 0.00 42.92 40.64 3d29 s ASP 166 CO 0.40 -0.32 1.67 0.00 0.13 0.00 0.00 175.17 177.05 3d29 n ALA 167 N 5.29 2.35 -1.20 3.66 0.00 -1.26 -2.53 120.51 126.81 3d29 n ALA 167 Ca -0.10 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.27 3d29 n ALA 167 Cb 0.49 -1.35 0.19 0.00 0.00 0.00 0.00 19.45 18.79 3d29 n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d29 n ARG 168 N -0.96 1.80 -3.33 0.00 5.12 -1.26 -5.03 116.66 113.00 3d29 n ARG 168 Ca 0.16 -2.86 -0.19 0.00 -1.93 0.00 0.00 57.85 53.02 3d29 n ARG 168 Cb 0.07 -1.65 -0.01 0.00 -1.16 0.00 0.00 32.46 29.72 3d29 n ARG 168 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3d29 s SER 169 N -2.67 5.27 0.14 0.55 1.04 -1.05 -4.60 113.70 112.37 3d29 s SER 169 Ca 0.37 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 56.21 3d29 s SER 169 Cb 0.33 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 3d29 s SER 169 CO 0.02 -0.76 -0.12 -0.55 0.98 0.00 0.00 173.24 172.81 3d29 s SER 170 N -4.26 1.93 0.37 7.02 0.15 -1.26 -5.04 113.70 112.61 3d29 s SER 170 Ca 0.51 -0.91 0.20 0.00 0.70 0.00 0.00 55.95 56.45 3d29 s SER 170 Cb -0.06 -0.05 0.30 0.00 -1.71 0.00 0.00 66.02 64.51 3d29 s SER 170 CO 0.30 -0.23 1.57 -0.09 1.20 0.00 0.00 173.24 175.99 3d29 h ARG 171 N 3.13 0.00 -5.74 5.44 2.43 -1.96 -3.45 114.38 114.23 3d29 h ARG 171 Ca -0.38 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.16 3d29 h ARG 171 Cb 1.20 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 3d29 h ARG 171 CO 0.57 0.27 -0.34 -0.80 -1.51 0.00 0.00 179.97 178.16 3d29 s ASN 172 N -6.31 6.56 0.26 -3.80 -0.87 -1.26 -1.90 114.94 107.61 3d29 s ASN 172 Ca 0.05 0.66 -0.16 0.00 -1.57 0.00 0.00 52.86 51.84 3d29 s ASN 172 Cb 0.07 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.14 3d29 s ASN 172 CO 0.70 0.30 0.56 0.72 -2.57 0.00 0.00 177.10 176.81 3d29 s PHE 173 N -0.66 0.17 0.15 2.20 -0.12 -1.01 -0.71 117.98 117.99 3d29 s PHE 173 Ca 0.18 -0.57 0.09 0.00 -0.05 0.00 0.00 56.93 56.59 3d29 s PHE 173 Cb -0.14 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 3d29 s PHE 173 CO 0.07 -1.08 -0.17 -1.12 -0.05 0.00 0.00 175.22 172.87 3d29 s SER 174 N -2.98 3.87 -0.03 1.98 0.01 -0.65 -1.44 113.70 114.47 3d29 s SER 174 Ca 0.18 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.79 3d29 s SER 174 Cb -0.03 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.70 3d29 s SER 174 CO 0.08 0.15 0.06 -0.22 0.41 0.00 0.00 173.24 173.72 3d29 s LEU 175 N -2.42 1.58 0.02 2.44 0.20 -0.21 -2.14 118.68 118.14 3d29 s LEU 175 Ca 0.20 0.12 0.04 0.00 0.69 0.00 0.00 54.13 55.19 3d29 s LEU 175 Cb -0.10 0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 45.83 3d29 s LEU 175 CO 0.11 -0.05 -0.12 0.00 -0.29 0.00 0.00 176.35 176.00 3d29 s ALA 176 N 0.29 1.02 -0.07 5.97 0.00 0.02 0.01 121.76 129.00 3d29 s ALA 176 Ca -0.02 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.32 3d29 s ALA 176 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3d29 s ALA 176 CO -0.01 0.21 -0.22 0.42 0.00 0.00 0.00 175.76 176.15 3d29 s ILE 177 N -0.63 2.29 -0.33 0.00 1.01 0.26 -1.68 121.20 122.11 3d29 s ILE 177 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3d29 s ILE 177 Cb -0.06 -1.86 0.10 0.00 0.01 0.00 0.00 42.46 40.65 3d29 s ILE 177 CO 0.00 0.57 0.05 -0.63 0.00 0.00 0.00 174.94 174.93 3d29 s ILE 178 N -0.09 2.08 -0.12 2.92 -1.09 -0.50 -0.43 121.20 123.97 3d29 s ILE 178 Ca -0.05 -2.20 -0.02 0.00 -2.23 0.00 0.00 60.65 56.15 3d29 s ILE 178 Cb -0.14 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.17 3d29 s ILE 178 CO 0.04 -0.60 -0.05 -0.62 -1.23 0.00 0.00 174.94 172.48 3d29 s ASP 179 N 1.01 4.73 0.00 3.58 -1.08 0.43 -2.01 116.67 123.33 3d29 s ASP 179 Ca 0.11 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 3d29 s ASP 179 Cb -0.19 -1.53 0.13 0.00 -1.46 0.00 0.00 42.92 39.88 3d29 s ASP 179 CO -0.10 0.26 1.02 2.29 0.52 0.00 0.00 175.17 179.16 3d29 n LYS 180 N 2.95 0.02 -0.01 4.34 2.85 -0.01 -0.58 118.16 127.71 3d29 n LYS 180 Ca -0.18 0.38 -0.02 0.00 -1.05 0.00 0.00 58.31 57.44 3d29 n LYS 180 Cb 0.53 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.40 3d29 n LYS 180 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3d29 n ASN 181 N -1.42 2.96 -0.28 -5.58 3.02 -1.26 -4.76 115.26 107.93 3d29 n ASN 181 Ca 0.01 -0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 3d29 n ASN 181 Cb 0.03 -0.05 0.23 0.00 -0.61 0.00 0.00 39.78 39.38 3d29 n ASN 181 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d29 n THR 18 N -2.71 0.00 -4.04 3.41 -2.24 -1.19 -5.07 114.28 102.45 3d29 n THR 18 Ca -0.05 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3d29 n THR 18 Cb 0.55 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3d29 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d29 n GLY 183 N 1.39 -0.05 3.66 3.38 0.00 0.26 -4.79 105.19 109.03 3d29 n GLY 183 Ca 0.10 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 3d29 n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d29 s LEU 184 N 0.00 4.11 -0.28 0.99 0.20 -1.26 -0.43 118.68 122.02 3d29 s LEU 184 Ca 0.00 0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.96 3d29 s LEU 184 Cb 0.00 -2.13 0.05 0.00 -0.43 0.00 0.00 46.19 43.68 3d29 s LEU 184 CO 0.00 0.05 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.15 3d29 s THR 185 N 1.13 2.53 -0.35 3.68 2.01 0.43 -4.97 115.64 120.09 3d29 s THR 185 Ca 0.08 -1.51 -0.10 0.00 0.31 0.00 0.00 61.69 60.46 3d29 s THR 185 Cb -0.14 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.92 3d29 s THR 185 CO 0.05 -0.05 0.19 0.12 -0.69 0.00 0.00 174.62 174.23 3d29 s PHE 186 N 1.17 3.22 -0.27 4.92 2.19 -1.26 -0.58 117.98 127.37 3d29 s PHE 186 Ca -0.07 -0.83 -0.10 0.00 0.33 0.00 0.00 56.93 56.26 3d29 s PHE 186 Cb -0.20 -2.41 -0.04 0.00 -1.31 0.00 0.00 43.02 39.06 3d29 s PHE 186 CO -0.03 -0.58 0.15 0.15 1.83 0.00 0.00 175.22 176.74 3d29 s LYS 187 N 1.57 3.88 0.27 10.12 1.02 0.10 -5.00 119.74 131.70 3d29 s LYS 187 Ca 0.03 -0.36 0.08 0.00 0.02 0.00 0.00 55.97 55.74 3d29 s LYS 187 Cb -0.18 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3d29 s LYS 187 CO 0.06 -0.17 0.14 0.15 -0.92 0.00 0.00 175.35 174.62 3d29 s LYS 188 N 1.67 2.66 -1.61 1.68 1.02 -1.26 -1.05 119.74 122.85 3d29 s LYS 188 Ca 0.07 -1.24 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 3d29 s LYS 188 Cb -0.16 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3d29 s LYS 188 CO 0.09 0.32 0.48 0.09 -0.92 0.00 0.00 175.35 175.41 3d29 n ASN 189 N -1.11 -6.11 -4.81 2.83 4.13 -1.24 -5.00 115.26 103.95 3d29 n ASN 189 Ca -0.06 -0.23 -0.30 0.00 1.68 0.00 0.00 54.58 55.67 3d29 n ASN 189 Cb 0.59 -4.96 0.10 0.00 -1.54 0.00 0.00 39.78 33.96 3d29 n ASN 189 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3d29 s LEU 190 N -6.52 2.52 0.00 3.41 1.02 -0.52 -4.87 118.68 113.72 3d29 s LEU 190 Ca 0.24 1.22 -0.02 0.00 0.02 0.00 0.00 54.13 55.59 3d29 s LEU 190 Cb -0.10 -3.80 -0.01 0.00 0.02 0.00 0.00 46.19 42.30 3d29 s LEU 190 CO 0.29 -2.02 0.04 -1.10 0.02 0.00 0.00 176.35 173.57 3d29 s GLN 191 N -5.20 0.29 0.02 1.70 -0.21 -1.26 -2.42 119.66 112.58 3d29 s GLN 191 Ca 0.61 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.31 3d29 s GLN 191 Cb -0.14 0.11 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 3d29 s GLN 191 CO 0.54 -0.06 1.22 0.08 -2.12 0.00 0.00 175.29 174.95 3d29 s VAL 192 N -1.04 4.08 0.32 1.09 1.01 -0.80 -5.01 120.40 120.05 3d29 s VAL 192 Ca -0.11 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.36 3d29 s VAL 192 Cb -0.07 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3d29 s VAL 192 CO -0.00 0.07 0.09 -1.61 0.00 0.00 0.00 175.10 173.65 3d29 s GLU 193 N 1.54 1.62 -1.20 2.72 0.41 -1.26 -4.89 118.70 117.64 3d29 s GLU 193 Ca 0.58 -1.91 -0.05 0.00 -0.41 0.00 0.00 54.97 53.18 3d29 s GLU 193 Cb -0.28 -0.55 0.01 0.00 -1.78 0.00 0.00 34.13 31.52 3d29 s GLU 193 CO 0.27 -0.30 1.03 0.09 -0.49 0.00 0.00 175.26 175.86 3d29 n ASN 194 N -0.75 -4.37 -4.85 -0.19 3.02 -1.26 -5.00 115.26 101.86 3d29 n ASN 194 Ca -0.02 -0.53 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 3d29 n ASN 194 Cb 0.66 -4.75 -0.06 0.00 -0.61 0.00 0.00 39.78 35.01 3d29 n ASN 194 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3d29 s MET 195 N -5.82 4.01 -0.27 3.52 -1.94 -1.26 -5.06 119.30 112.48 3d29 s MET 195 Ca 0.32 0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 54.85 3d29 s MET 195 Cb -0.14 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.19 3d29 s MET 195 CO 0.68 0.17 0.18 0.15 -0.01 0.00 0.00 175.02 176.19 3d29 s LYS 196 N -2.93 3.97 0.00 2.03 1.02 -1.26 -4.87 119.74 117.71 3d29 s LYS 196 Ca 0.53 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.21 3d29 s LYS 196 Cb -0.10 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 3d29 s LYS 196 CO 0.18 -0.11 0.00 0.91 -0.92 0.00 0.00 175.35 175.40 3d29 n TRP 197 N 4.83 0.00 -0.27 3.18 7.02 -1.26 -4.91 117.44 126.03 3d29 n TRP 197 Ca -0.14 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.40 3d29 n TRP 197 Cb 0.52 0.00 0.21 0.00 -2.42 0.00 0.00 31.31 29.62 3d29 n TRP 197 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3d29 h ASP 198 N 0.00 0.33 0.00 -0.99 1.82 -2.05 0.49 116.42 116.02 3d29 h ASP 198 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3d29 h ASP 198 Cb 0.00 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.09 3d29 h ASP 198 CO 0.00 0.11 0.07 2.19 -1.61 0.00 0.00 179.24 180.00 3d29 h PHE 199 N 0.47 0.00 -0.06 0.28 -0.00 -2.02 -2.11 116.94 113.51 3d29 h PHE 199 Ca 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.41 3d29 h PHE 199 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.64 3d29 h PHE 199 CO -0.15 0.00 0.03 0.00 -0.00 0.00 0.00 178.31 178.19 3d29 h ALA 200 N 1.83 1.94 0.00 12.09 0.00 -1.28 -1.92 119.26 131.93 3d29 h ALA 200 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d29 h ALA 200 Cb 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3d29 h ALA 200 CO 0.00 0.05 -0.16 1.57 0.00 0.00 0.00 179.25 180.71 3d29 h LYS 201 N 0.08 0.00 -0.00 0.00 2.10 -1.56 -2.31 116.57 114.88 3d29 h LYS 201 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3d29 h LYS 201 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3d29 h LYS 201 CO -0.00 0.16 -0.25 -0.25 -2.00 0.00 0.00 179.45 177.11 3d29 n ASP 202 N -3.65 0.33 -4.53 7.07 10.43 -0.72 -4.75 116.55 120.72 3d29 n ASP 202 Ca -0.02 -0.04 -0.43 0.00 2.57 0.00 0.00 54.79 56.87 3d29 n ASP 202 Cb 0.28 -0.08 -0.06 0.00 1.84 0.00 0.00 41.12 43.10 3d29 n ASP 202 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3d29 s ILE 203 N -2.90 4.76 0.03 0.53 -1.09 -0.87 -5.04 121.20 116.62 3d29 s ILE 203 Ca 0.15 0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 3d29 s ILE 203 Cb 0.19 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 3d29 s ILE 203 CO 0.60 -0.65 -0.11 -1.59 -1.23 0.00 0.00 174.94 171.96 3d29 s LYS 204 N 3.00 0.77 2.08 2.79 0.00 -1.26 -5.03 119.74 122.09 3d29 s LYS 204 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 55.97 55.57 3d29 s LYS 204 Cb -0.13 -0.72 0.00 0.00 0.00 0.00 0.00 37.83 36.98 3d29 s LYS 204 CO 0.20 0.18 0.00 0.41 0.00 0.00 0.00 175.35 176.14 3d29 n GLY 205 N 2.02 -0.71 0.74 0.59 0.00 -1.26 -4.56 105.19 102.00 3d29 n GLY 205 Ca -0.18 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.80 3d29 n GLY 205 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3d29 n TYR 206 N -0.79 0.00 0.00 1.61 0.18 -1.26 -4.99 117.16 111.91 3d29 n TYR 206 Ca 0.00 -0.42 0.00 0.00 1.88 0.00 0.00 57.90 59.36 3d29 n TYR 206 Cb 0.00 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 38.85 3d29 n TYR 206 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3d29 n GLY 207 N -0.16 -0.66 0.01 -7.48 0.00 -1.26 -5.00 105.19 90.64 3d29 n GLY 207 Ca 0.06 0.36 0.07 0.00 0.00 0.00 0.00 46.02 46.50 3d29 n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d29 n THR 208 N 0.00 0.09 -1.72 2.61 -2.24 -1.26 -4.98 114.28 106.77 3d29 n THR 208 Ca 0.00 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3d29 n THR 208 Cb 0.00 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3d29 n THR 208 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3d29 n GLN 209 N -2.09 2.39 -0.01 -0.78 7.27 -1.26 -4.91 117.38 117.98 3d29 n GLN 209 Ca -0.05 0.84 0.07 0.00 0.07 0.00 0.00 57.00 57.94 3d29 n GLN 209 Cb 0.46 -2.53 -0.12 0.00 2.41 0.00 0.00 30.24 30.47 3d29 n GLN 209 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3d29 n LYS 210 N 1.20 0.48 0.00 3.69 5.02 -1.26 -4.62 118.16 122.68 3d29 n LYS 210 Ca 0.06 -0.14 0.02 0.00 -2.02 0.00 0.00 58.31 56.23 3d29 n LYS 210 Cb 0.36 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.03 3d29 n LYS 210 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32