#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3r n ASN -5 N 0.00 0.00 0.22 4.31 3.02 -1.26 -1.21 115.26 120.34 3d3r n ASN -5 Ca 0.00 0.49 0.11 0.00 -0.03 0.00 0.00 54.58 55.16 3d3r n ASN -5 Cb 0.00 -0.49 0.21 0.00 -0.61 0.00 0.00 39.78 38.88 3d3r n ASN -5 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3d3r h LEU -4 N 0.00 0.00 -8.62 3.41 4.07 -1.95 -3.43 115.31 108.79 3d3r h LEU -4 Ca 0.00 0.00 -0.69 0.00 0.08 0.00 0.00 57.88 57.27 3d3r h LEU -4 Cb 0.06 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 41.61 3d3r h LEU -4 CO 0.00 0.06 -0.39 -0.31 -1.08 0.00 0.00 178.44 176.72 3d3r s TYR -3 N -3.23 3.22 0.19 1.13 2.02 -0.35 0.27 117.35 120.60 3d3r s TYR -3 Ca 0.06 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 3d3r s TYR -3 Cb 0.06 -2.61 0.11 0.00 -0.40 0.00 0.00 41.96 39.12 3d3r s TYR -3 CO 0.67 -0.50 1.79 0.35 -1.57 0.00 0.00 175.55 176.29 3d3r h PHE -2 N 8.57 0.96 -3.74 2.71 3.57 -1.72 -3.45 116.94 123.83 3d3r h PHE -2 Ca -0.29 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 60.99 3d3r h PHE -2 Cb 1.14 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3d3r h PHE -2 CO 0.62 0.70 -0.04 1.14 -2.23 0.00 0.00 178.31 178.50 3d3r s GLN -1 N -5.76 1.98 0.00 1.11 1.03 -1.26 -2.12 119.66 114.64 3d3r s GLN -1 Ca -0.13 -1.62 0.00 0.00 0.04 0.00 0.00 55.36 53.65 3d3r s GLN -1 Cb 0.14 0.50 0.00 0.00 0.03 0.00 0.00 33.01 33.68 3d3r s GLN -1 CO 0.79 -0.86 0.00 0.41 -2.54 0.00 0.00 175.29 173.10 3d3r n GLY 0 N -0.54 0.00 0.36 2.60 0.00 -1.26 -4.70 105.19 101.65 3d3r n GLY 0 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3d3r n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3r s LEU 3 N -1.58 3.84 0.23 0.00 1.43 -1.26 -2.95 118.68 118.38 3d3r s LEU 3 Ca 0.00 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 3d3r s LEU 3 Cb 0.00 -1.98 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 3d3r s LEU 3 CO 0.00 0.15 1.46 -0.44 0.23 0.00 0.00 176.35 177.75 3d3r s SER 4 N 0.53 6.65 -0.23 2.29 0.01 0.14 -4.72 113.70 118.37 3d3r s SER 4 Ca 0.04 2.65 -0.15 0.00 1.31 0.00 0.00 55.95 59.80 3d3r s SER 4 Cb -0.13 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3d3r s SER 4 CO 0.01 -0.72 0.36 -0.63 0.41 0.00 0.00 173.24 172.67 3d3r s ILE 5 N 0.24 5.21 0.07 1.44 1.01 -1.26 -4.93 121.20 122.98 3d3r s ILE 5 Ca 0.61 0.60 -0.36 0.00 0.00 0.00 0.00 60.65 61.51 3d3r s ILE 5 Cb -0.42 -3.69 -0.15 0.00 0.01 0.00 0.00 42.46 38.21 3d3r s ILE 5 CO 0.41 0.23 1.53 -2.65 0.00 0.00 0.00 174.94 174.46 3d3r n PRO 6 N 4.72 1.68 -4.87 2.79 -0.02 -1.26 -4.73 135.00 133.31 3d3r n PRO 6 Ca -0.09 0.61 -0.27 0.00 -2.02 0.00 0.00 63.50 61.72 3d3r n PRO 6 Cb 0.51 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 3d3r n PRO 6 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d3r s SER 7 N 1.26 2.31 0.09 2.55 0.01 -0.02 -4.69 113.70 115.21 3d3r s SER 7 Ca 0.84 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.41 3d3r s SER 7 Cb -0.82 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 3d3r s SER 7 CO 0.45 0.11 0.95 -1.58 0.41 0.00 0.00 173.24 173.58 3d3r s GLN 8 N 0.35 4.67 -0.10 12.44 0.74 -0.46 -1.17 119.66 136.13 3d3r s GLN 8 Ca -0.12 1.42 -0.30 0.00 0.05 0.00 0.00 55.36 56.41 3d3r s GLN 8 Cb -0.15 -3.39 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 3d3r s GLN 8 CO 0.05 0.19 1.10 0.08 -0.55 0.00 0.00 175.29 176.15 3d3r s VAL 9 N 0.11 4.54 -0.13 1.34 1.01 -0.10 -0.72 120.40 126.45 3d3r s VAL 9 Ca 0.47 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.32 3d3r s VAL 9 Cb -0.23 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3d3r s VAL 9 CO 0.29 -0.02 0.12 1.33 0.00 0.00 0.00 175.10 176.83 3d3r n VAL 10 N 4.66 0.00 -3.56 2.92 0.24 0.13 -0.76 118.33 121.98 3d3r n VAL 10 Ca 0.10 -0.40 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 3d3r n VAL 10 Cb 0.47 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 3d3r n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d3r s ALA 11 N -1.35 -1.78 -0.05 2.33 0.00 -1.16 -4.93 121.76 114.82 3d3r s ALA 11 Ca 0.01 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3d3r s ALA 11 Cb 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3d3r s ALA 11 CO 0.13 -0.36 -0.06 0.08 0.00 0.00 0.00 175.76 175.55 3d3r s VAL 12 N -0.70 0.68 -0.50 0.00 1.01 -1.26 -0.60 120.40 119.03 3d3r s VAL 12 Ca -0.07 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3d3r s VAL 12 Cb -0.02 -0.69 0.15 0.00 0.00 0.00 0.00 36.38 35.82 3d3r s VAL 12 CO 0.07 0.26 0.31 -0.62 0.00 0.00 0.00 175.10 175.12 3d3r s ASP 13 N 0.93 3.65 0.35 3.32 -1.08 -0.12 -4.98 116.67 118.74 3d3r s ASP 13 Ca -0.11 -2.99 0.13 0.00 -0.52 0.00 0.00 52.55 49.06 3d3r s ASP 13 Cb -0.15 -1.14 0.65 0.00 -1.46 0.00 0.00 42.92 40.83 3d3r s ASP 13 CO 0.00 -0.21 1.78 0.78 0.52 0.00 0.00 175.17 178.04 3d3r h ASN 14 N 6.27 0.00 -0.15 -0.34 2.35 -1.96 -0.08 115.58 121.66 3d3r h ASN 14 Ca 0.06 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3d3r h ASN 14 Cb 0.88 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3d3r h ASN 14 CO 0.54 0.42 -0.23 -0.33 -1.65 0.00 0.00 177.43 176.18 3d3r h GLU 15 N 0.00 0.59 -0.56 0.81 5.08 -1.94 -2.76 114.58 115.80 3d3r h GLU 15 Ca -0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3d3r h GLU 15 Cb 0.76 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3d3r h GLU 15 CO 0.05 0.77 0.00 0.54 -1.00 0.00 0.00 179.01 179.38 3d3r n ARG 16 N -4.12 2.34 -4.06 2.33 1.74 -0.97 -4.97 116.66 108.95 3d3r n ARG 16 Ca -0.00 -2.00 -0.46 0.00 -0.77 0.00 0.00 57.85 54.62 3d3r n ARG 16 Cb 0.41 -1.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3d3r n ARG 16 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3d3r n GLN 17 N 1.09 -0.29 -4.05 5.56 6.02 -0.12 -4.90 117.38 120.68 3d3r n GLN 17 Ca 0.19 0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 57.20 3d3r n GLN 17 Cb 0.48 -2.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.03 3d3r n GLN 17 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3d3r s SER 18 N -3.53 0.43 0.06 1.08 1.04 -0.73 -1.36 113.70 110.70 3d3r s SER 18 Ca 0.50 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3d3r s SER 18 Cb -0.27 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 3d3r s SER 18 CO 0.97 -0.61 -0.08 0.68 0.98 0.00 0.00 173.24 175.17 3d3r s VAL 19 N -3.85 0.67 -0.15 5.02 -7.23 -0.27 -0.94 120.40 113.65 3d3r s VAL 19 Ca 0.06 -1.32 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3d3r s VAL 19 Cb 0.07 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 3d3r s VAL 19 CO -0.10 -0.47 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.29 3d3r s THR 20 N -1.89 3.90 0.19 5.32 2.01 0.23 -0.54 115.64 124.87 3d3r s THR 20 Ca -0.04 -0.36 0.11 0.00 0.31 0.00 0.00 61.69 61.72 3d3r s THR 20 Cb -0.06 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 3d3r s THR 20 CO -0.00 0.50 -0.23 0.68 -0.69 0.00 0.00 174.62 174.87 3d3r s VAL 21 N 0.31 2.40 -0.19 3.82 -7.23 -0.35 -0.69 120.40 118.47 3d3r s VAL 21 Ca -0.04 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 3d3r s VAL 21 Cb -0.14 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 3d3r s VAL 21 CO 0.03 -0.12 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.00 3d3r s ASP 22 N -2.68 4.06 -0.24 4.85 -1.08 0.11 -1.04 116.67 120.64 3d3r s ASP 22 Ca 0.21 -0.41 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 3d3r s ASP 22 Cb -0.08 -1.67 0.05 0.00 -1.46 0.00 0.00 42.92 39.76 3d3r s ASP 22 CO 0.10 0.03 -0.10 -0.89 0.52 0.00 0.00 175.17 174.83 3d3r s THR 23 N 1.18 1.91 -1.76 1.71 2.01 -0.13 -1.35 115.64 119.20 3d3r s THR 23 Ca 0.02 -1.37 -0.15 0.00 0.31 0.00 0.00 61.69 60.49 3d3r s THR 23 Cb -0.14 -2.03 0.15 0.00 0.01 0.00 0.00 72.50 70.49 3d3r s THR 23 CO -0.03 0.03 0.40 0.18 -0.69 0.00 0.00 174.62 174.51 3d3r n LEU 24 N 4.55 -0.93 0.00 4.42 4.77 -1.26 -1.18 117.00 127.37 3d3r n LEU 24 Ca -0.14 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 3d3r n LEU 24 Cb 0.44 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3d3r n LEU 24 CO 0.20 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3d3r n GLY 25 N -1.61 0.93 3.68 -0.72 0.00 -1.26 -5.03 105.19 101.18 3d3r n GLY 25 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3d3r n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3r s VAL 26 N -2.62 5.24 -0.06 1.61 1.01 -0.33 -5.06 120.40 120.20 3d3r s VAL 26 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3d3r s VAL 26 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3d3r s VAL 26 CO 0.00 0.41 0.32 -0.13 0.00 0.00 0.00 175.10 175.71 3d3r s ARG 27 N 0.60 3.87 -0.01 2.72 1.81 -1.26 -0.96 118.95 125.71 3d3r s ARG 27 Ca 0.07 0.22 0.01 0.00 -1.72 0.00 0.00 55.73 54.30 3d3r s ARG 27 Cb -0.12 -3.25 0.01 0.00 -0.45 0.00 0.00 34.95 31.13 3d3r s ARG 27 CO 0.00 0.62 -0.02 1.03 -0.68 0.00 0.00 175.30 176.26 3d3r s ARG 28 N -0.74 0.26 -0.14 3.54 0.52 -0.21 -4.99 118.95 117.19 3d3r s ARG 28 Ca 0.20 -0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.25 3d3r s ARG 28 Cb -0.15 -0.32 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 3d3r s ARG 28 CO 0.09 -0.02 0.29 -0.51 0.02 0.00 0.00 175.30 175.18 3d3r s ASP 29 N 0.36 6.48 0.03 0.23 1.01 -1.26 -1.21 116.67 122.31 3d3r s ASP 29 Ca -0.03 0.56 0.02 0.00 0.71 0.00 0.00 52.55 53.81 3d3r s ASP 29 Cb -0.06 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 3d3r s ASP 29 CO -0.01 0.15 -0.07 0.68 0.21 0.00 0.00 175.17 176.13 3d3r s VAL 30 N 0.16 0.54 0.37 -1.27 -7.23 0.29 -4.98 120.40 108.29 3d3r s VAL 30 Ca 0.17 -0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 59.22 3d3r s VAL 30 Cb -0.13 -0.56 -0.11 0.00 0.56 0.00 0.00 36.38 36.13 3d3r s VAL 30 CO 0.05 -0.23 1.48 -0.24 -0.31 0.00 0.00 175.10 175.85 3d3r n SER 31 N 1.89 3.74 -1.54 4.85 2.88 -1.26 -1.11 113.62 123.06 3d3r n SER 31 Ca -0.20 1.23 0.08 0.00 -1.33 0.00 0.00 58.87 58.65 3d3r n SER 31 Cb 0.56 -1.61 0.35 0.00 -0.75 0.00 0.00 64.21 62.75 3d3r n SER 31 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3d3r n SER 32 N 0.50 4.85 0.13 -3.46 3.41 -0.46 -4.64 113.62 113.95 3d3r n SER 32 Ca 0.02 -2.64 0.13 0.00 -0.26 0.00 0.00 58.87 56.12 3d3r n SER 32 Cb 0.39 -0.59 0.64 0.00 -0.26 0.00 0.00 64.21 64.39 3d3r n SER 32 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3d3r h HIS 33 N 3.67 0.05 -3.59 7.33 3.86 -1.91 -3.48 115.15 121.08 3d3r h HIS 33 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 3d3r h HIS 33 Cb 1.57 -0.02 -0.25 0.00 1.06 0.00 0.00 27.41 29.77 3d3r h HIS 33 CO 0.80 0.03 -0.64 -0.51 0.86 0.00 0.00 177.93 178.47 3d3r s LEU 34 N -8.99 3.53 0.00 2.43 1.43 -1.26 -5.13 118.68 110.70 3d3r s LEU 34 Ca -0.05 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3d3r s LEU 34 Cb 0.18 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3d3r s LEU 34 CO 0.70 -0.10 0.00 0.35 0.23 0.00 0.00 176.35 177.53 3d3r n THR 36 N 4.89 0.00 -3.76 5.49 -2.24 -1.26 -5.12 114.28 112.27 3d3r n THR 36 Ca -0.16 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3d3r n THR 36 Cb 0.50 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 3d3r n THR 36 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3d3r s GLU 37 N -0.52 1.30 0.39 -0.78 -1.05 -1.26 -5.15 118.70 111.63 3d3r s GLU 37 Ca 0.00 -0.90 -0.28 0.00 -0.15 0.00 0.00 54.97 53.64 3d3r s GLU 37 Cb 0.00 0.49 -0.10 0.00 -0.44 0.00 0.00 34.13 34.08 3d3r s GLU 37 CO 0.00 -0.54 1.45 -2.14 0.95 0.00 0.00 175.26 174.99 3d3r s PRO 38 N -3.88 4.06 0.15 -4.83 0.02 -1.26 -4.99 135.00 124.27 3d3r s PRO 38 Ca 0.10 2.50 0.08 0.00 0.02 0.00 0.00 61.00 63.69 3d3r s PRO 38 Cb 0.00 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3d3r s PRO 38 CO -0.03 -0.54 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.50 3d3r s LEU 39 N -2.18 3.06 0.11 -5.54 1.43 -1.26 -5.14 118.68 109.16 3d3r s LEU 39 Ca 0.54 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 3d3r s LEU 39 Cb -0.45 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3d3r s LEU 39 CO 0.61 0.13 -0.07 0.00 0.23 0.00 0.00 176.35 177.24 3d3r s ALA 40 N -1.53 1.11 0.13 4.21 0.00 -1.26 -4.97 121.76 119.45 3d3r s ALA 40 Ca 0.24 -1.39 -0.35 0.00 0.00 0.00 0.00 51.96 50.46 3d3r s ALA 40 Cb -0.10 0.14 -0.16 0.00 0.00 0.00 0.00 23.12 23.00 3d3r s ALA 40 CO 0.15 -0.20 1.37 -0.89 0.00 0.00 0.00 175.76 176.19 3d3r n ILE 41 N -0.09 0.23 0.00 0.00 5.41 -1.26 -1.50 119.36 122.16 3d3r n ILE 41 Ca -0.12 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3d3r n ILE 41 Cb 0.61 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 3d3r n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d3r n GLY 42 N 2.60 1.55 3.76 7.39 0.00 0.07 -5.01 105.19 115.55 3d3r n GLY 42 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3d3r n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d3r s ASP 43 N -2.74 5.16 -0.08 1.61 1.01 -0.56 -4.79 116.67 116.28 3d3r s ASP 43 Ca 0.00 2.19 0.01 0.00 0.71 0.00 0.00 52.55 55.45 3d3r s ASP 43 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3d3r s ASP 43 CO 0.00 -1.60 -0.07 -0.31 0.21 0.00 0.00 175.17 173.40 3d3r s TYR 44 N -1.97 2.92 0.12 4.23 2.02 -1.26 -0.93 117.35 122.49 3d3r s TYR 44 Ca 0.72 -0.05 0.08 0.00 -0.37 0.00 0.00 57.07 57.45 3d3r s TYR 44 Cb -0.25 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3d3r s TYR 44 CO 0.36 0.27 -0.19 0.14 -1.57 0.00 0.00 175.55 174.56 3d3r s VAL 45 N -0.65 1.65 -0.10 0.71 -7.23 -0.32 -4.92 120.40 109.54 3d3r s VAL 45 Ca 0.10 -1.65 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 3d3r s VAL 45 Cb -0.11 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3d3r s VAL 45 CO 0.02 -0.19 0.08 -0.76 -0.31 0.00 0.00 175.10 173.94 3d3r s LEU 46 N -2.18 4.04 0.01 1.32 1.43 -1.26 -0.84 118.68 121.21 3d3r s LEU 46 Ca 0.09 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 3d3r s LEU 46 Cb -0.08 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3d3r s LEU 46 CO 0.05 0.39 -0.22 -0.63 0.23 0.00 0.00 176.35 176.16 3d3r s ILE 47 N -0.98 1.78 0.04 -0.59 1.01 -1.26 -5.06 121.20 116.14 3d3r s ILE 47 Ca 0.15 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 3d3r s ILE 47 Cb -0.12 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 3d3r s ILE 47 CO 0.04 0.37 0.17 -1.38 0.00 0.00 0.00 174.94 174.14 3d3r s HIS 48 N -0.66 0.10 0.02 3.97 -3.43 -1.26 -4.31 115.29 109.71 3d3r s HIS 48 Ca 0.09 -0.36 -0.30 0.00 -0.80 0.00 0.00 55.06 53.68 3d3r s HIS 48 Cb -0.09 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 3d3r s HIS 48 CO 0.01 -0.42 1.11 0.42 -2.00 0.00 0.00 174.74 173.85 3d3r s ILE 49 N -2.68 4.40 0.00 -5.38 1.01 -0.90 -4.96 121.20 112.68 3d3r s ILE 49 Ca -0.04 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3d3r s ILE 49 Cb -0.01 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3d3r s ILE 49 CO -0.05 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3d3r n GLY 50 N 3.11 3.73 3.84 6.18 0.00 -1.26 -4.95 105.19 115.85 3d3r n GLY 50 Ca 0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 3d3r n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d3r s PHE 51 N -2.11 -0.11 0.00 1.61 -0.12 -1.26 -5.16 117.98 110.83 3d3r s PHE 51 Ca 0.00 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3d3r s PHE 51 Cb 0.00 0.74 0.00 0.00 -0.63 0.00 0.00 43.02 43.13 3d3r s PHE 51 CO 0.00 -1.29 0.00 1.33 -0.05 0.00 0.00 175.22 175.21 3d3r n VAL 52 N -0.48 0.00 -3.64 -2.49 0.24 -1.26 -5.17 118.33 105.53 3d3r n VAL 52 Ca -0.05 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.18 3d3r n VAL 52 Cb 0.59 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 3d3r n VAL 52 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3d3r s ASN 54 N 1.00 -0.31 0.43 -1.34 0.02 -1.26 -5.24 114.94 108.24 3d3r s ASN 54 Ca 0.00 0.57 -0.23 0.00 -1.02 0.00 0.00 52.86 52.18 3d3r s ASN 54 Cb 0.00 0.57 -0.09 0.00 0.02 0.00 0.00 41.25 41.75 3d3r s ASN 54 CO 0.00 -0.12 1.05 -0.75 0.02 0.00 0.00 177.10 177.30 3d3r s LYS 55 N 0.05 4.04 -0.01 -0.60 2.20 -1.26 -5.05 119.74 119.11 3d3r s LYS 55 Ca 0.04 1.47 0.05 0.00 -0.36 0.00 0.00 55.97 57.18 3d3r s LYS 55 Cb -0.05 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3d3r s LYS 55 CO -0.09 -0.24 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.00 3d3r s ILE 56 N -1.75 1.24 0.12 5.43 2.07 -1.26 -5.11 121.20 121.94 3d3r s ILE 56 Ca 0.61 -0.67 -0.35 0.00 -1.41 0.00 0.00 60.65 58.83 3d3r s ILE 56 Cb -0.20 -1.03 -0.16 0.00 0.13 0.00 0.00 42.46 41.19 3d3r s ILE 56 CO 0.25 0.35 1.27 -0.67 -1.91 0.00 0.00 174.94 174.24 3d3r n ASP 57 N 2.74 1.55 -0.24 4.50 2.03 -1.26 -4.78 116.55 121.09 3d3r n ASP 57 Ca -0.15 1.13 -0.05 0.00 0.52 0.00 0.00 54.79 56.24 3d3r n ASP 57 Cb 0.54 -1.20 0.05 0.00 -0.72 0.00 0.00 41.12 39.79 3d3r n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3d3r h ARG 58 N 4.11 0.89 -0.62 -0.67 2.43 -1.99 -0.98 114.38 117.55 3d3r h ARG 58 Ca -0.46 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.59 3d3r h ARG 58 Cb 1.34 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3d3r h ARG 58 CO 0.75 0.60 0.16 -0.91 -1.51 0.00 0.00 179.97 179.06 3d3r h ASN 59 N 0.91 0.90 -0.43 -3.80 2.35 -1.99 0.10 115.58 113.63 3d3r h ASN 59 Ca 0.25 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3d3r h ASN 59 Cb -0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 3d3r h ASN 59 CO -0.05 0.87 0.00 0.44 -1.65 0.00 0.00 177.43 177.04 3d3r h ASP 60 N 0.92 0.74 0.17 5.81 3.32 -1.85 -0.68 116.42 124.86 3d3r h ASP 60 Ca 0.20 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3d3r h ASP 60 Cb 0.32 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3d3r h ASP 60 CO -0.00 0.86 -0.30 0.00 -1.72 0.00 0.00 179.24 178.08 3d3r h ALA 61 N 0.90 -0.56 -0.89 3.45 0.00 -0.76 -2.07 119.26 119.34 3d3r h ALA 61 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3d3r h ALA 61 Cb 0.48 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3d3r h ALA 61 CO 0.02 -0.86 0.59 -0.07 0.00 0.00 0.00 179.25 178.93 3d3r h LEU 62 N -0.56 0.98 -0.50 0.00 3.38 -0.88 -0.42 115.31 117.31 3d3r h LEU 62 Ca 0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3d3r h LEU 62 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3d3r h LEU 62 CO -0.15 0.69 -0.07 1.56 0.09 0.00 0.00 178.44 180.57 3d3r h GLN 63 N 1.15 0.93 0.00 1.13 4.20 -1.08 -3.20 115.11 118.24 3d3r h GLN 63 Ca 0.35 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3d3r h GLN 63 Cb -0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3d3r h GLN 63 CO -0.09 0.99 -0.51 0.66 -0.67 0.00 0.00 178.83 179.20 3d3r h SER 64 N 0.79 0.00 -0.01 1.46 4.64 -0.74 -3.29 113.55 116.39 3d3r h SER 64 Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3d3r h SER 64 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3d3r h SER 64 CO 0.04 0.51 0.00 -0.07 -0.87 0.00 0.00 176.83 176.45 3d3r h LEU 65 N 0.00 0.03 -1.13 5.97 3.38 -1.09 -1.30 115.31 121.17 3d3r h LEU 65 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3d3r h LEU 65 Cb 1.09 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3d3r h LEU 65 CO 0.07 0.03 0.36 -0.33 0.09 0.00 0.00 178.44 178.66 3d3r h GLU 66 N 0.03 0.96 -0.52 1.13 5.08 -1.73 -1.66 114.58 117.88 3d3r h GLU 66 Ca 0.01 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3d3r h GLU 66 Cb 0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3d3r h GLU 66 CO -0.00 0.72 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.56 3d3r h LEU 67 N 0.96 0.95 -0.38 1.33 3.38 -1.46 -2.32 115.31 117.77 3d3r h LEU 67 Ca 0.24 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3d3r h LEU 67 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3d3r h LEU 67 CO -0.04 1.06 0.15 1.88 0.09 0.00 0.00 178.44 181.59 3d3r h TYR 68 N 0.85 0.58 -0.76 1.13 0.05 -1.30 -1.66 116.97 115.86 3d3r h TYR 68 Ca 0.14 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3d3r h TYR 68 Cb 0.64 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.17 3d3r h TYR 68 CO 0.04 0.52 0.48 1.96 -1.05 0.00 0.00 178.16 180.11 3d3r h GLN 69 N 0.47 1.02 -0.49 4.88 1.08 -1.28 -1.52 115.11 119.27 3d3r h GLN 69 Ca 0.13 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 3d3r h GLN 69 Cb 0.19 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3d3r h GLN 69 CO -0.01 0.69 -0.02 0.93 -0.95 0.00 0.00 178.83 179.47 3d3r h GLU 70 N 1.04 0.83 0.16 1.46 5.08 -1.14 -1.11 114.58 120.90 3d3r h GLU 70 Ca 0.28 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3d3r h GLU 70 Cb -0.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3d3r h GLU 70 CO -0.06 0.85 -0.08 0.82 -1.00 0.00 0.00 179.01 179.54 3d3r h ILE 71 N 0.77 0.90 -0.72 3.13 2.04 -0.90 -0.77 117.51 121.94 3d3r h ILE 71 Ca 0.14 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.83 3d3r h ILE 71 Cb 0.50 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 3d3r h ILE 71 CO 0.03 0.06 0.38 0.58 0.00 0.00 0.00 178.15 179.19 3d3r h VAL 72 N -0.34 0.88 -0.92 1.67 2.07 -1.21 0.58 116.25 118.98 3d3r h VAL 72 Ca -0.02 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3d3r h VAL 72 Cb 0.27 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3d3r h VAL 72 CO 0.04 0.12 0.61 0.28 0.02 0.00 0.00 177.57 178.63 3d3r h SER 73 N 0.65 1.04 0.31 0.57 0.02 -1.03 -1.37 113.55 113.74 3d3r h SER 73 Ca 0.35 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 61.07 3d3r h SER 73 Cb 0.34 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3d3r h SER 73 CO -0.25 0.74 -0.84 0.50 -1.14 0.00 0.00 176.83 175.84 3d3r h LYS 74 N 1.22 0.40 -0.01 3.45 3.64 0.18 -3.36 116.57 122.09 3d3r h LYS 74 Ca 0.35 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3d3r h LYS 74 Cb -0.10 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3d3r h LYS 74 CO -0.08 1.04 -0.32 1.28 -2.27 0.00 0.00 179.45 179.10 3d3r n LEU 75 N -3.78 1.79 -0.22 5.20 4.77 0.07 -5.10 117.00 119.72 3d3r n LEU 75 Ca -0.05 -0.79 0.15 0.00 -0.03 0.00 0.00 56.01 55.28 3d3r n LEU 75 Cb 0.77 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.62 3d3r n LEU 75 CO 0.50 0.34 1.00 1.21 -1.33 0.00 0.00 177.39 179.10