#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6h s SER 2 N 0.00 -0.31 -0.21 1.61 1.04 -1.26 -5.17 113.70 109.40 1x6h s SER 2 Ca 0.00 0.38 -0.22 0.00 0.48 0.00 0.00 55.95 56.59 1x6h s SER 2 Cb 0.00 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1x6h s SER 2 CO 0.00 -0.36 0.61 -0.55 0.98 0.00 0.00 173.24 173.92 1x6h s SER 3 N -0.82 -0.63 0.00 7.02 0.15 -1.26 -5.17 113.70 113.00 1x6h s SER 3 Ca -0.09 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1x6h s SER 3 Cb -0.04 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 1x6h s SER 3 CO 0.04 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1x6h n GLY 4 N 2.59 1.86 3.66 9.45 0.00 -1.26 -5.06 105.19 116.43 1x6h n GLY 4 Ca -0.14 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1x6h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6h s SER 5 N 0.00 4.41 -0.36 1.61 0.01 -1.26 -5.05 113.70 113.06 1x6h s SER 5 Ca 0.00 -0.85 -0.42 0.00 1.31 0.00 0.00 55.95 55.99 1x6h s SER 5 Cb 0.00 -0.66 -0.17 0.00 0.21 0.00 0.00 66.02 65.41 1x6h s SER 5 CO 0.00 -0.20 1.77 -0.24 0.41 0.00 0.00 173.24 174.98 1x6h n SER 6 N -1.00 1.97 -3.23 2.44 2.88 -1.26 -4.91 113.62 110.51 1x6h n SER 6 Ca -0.04 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.51 1x6h n SER 6 Cb 0.61 -1.07 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 1x6h n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6h s GLY 7 N 3.87 -0.92 -0.15 0.46 0.00 -1.26 -5.14 107.32 104.18 1x6h s GLY 7 Ca 1.02 0.74 -0.00 0.00 0.00 0.00 0.00 44.72 46.48 1x6h s GLY 7 CO 0.69 3.35 -0.13 -1.60 0.00 0.00 0.00 173.10 175.41 1x6h s ARG 8 N 2.70 3.34 0.00 2.90 3.52 -1.26 -4.78 118.95 125.37 1x6h s ARG 8 Ca 0.11 -0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1x6h s ARG 8 Cb -0.12 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 1x6h s ARG 8 CO -0.27 0.11 0.16 0.99 -0.81 0.00 0.00 175.30 175.47 1x6h s THR 9 N 0.62 5.23 -0.44 4.11 2.01 -1.26 -5.00 115.64 120.91 1x6h s THR 9 Ca -0.07 -0.27 -0.42 0.00 0.31 0.00 0.00 61.69 61.24 1x6h s THR 9 Cb -0.15 -3.45 -0.17 0.00 0.01 0.00 0.00 72.50 68.74 1x6h s THR 9 CO 0.03 0.30 2.07 1.41 -0.69 0.00 0.00 174.62 177.74 1x6h n HIS 10 N 0.91 1.41 -0.65 4.92 -0.00 -1.26 -4.87 115.22 115.68 1x6h n HIS 10 Ca -0.11 0.66 -0.31 0.00 -0.00 0.00 0.00 57.72 57.96 1x6h n HIS 10 Cb 0.52 -2.36 0.18 0.00 -0.00 0.00 0.00 29.99 28.33 1x6h n HIS 10 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1x6h n THR 11 N 6.29 0.00 -2.65 1.59 5.66 -1.26 -5.03 114.28 118.88 1x6h n THR 11 Ca 0.47 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.39 1x6h n THR 11 Cb 0.04 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 1x6h n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x6h n GLY 12 N 0.47 2.37 3.21 1.09 0.00 -1.26 -5.18 105.19 105.89 1x6h n GLY 12 Ca 0.10 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1x6h n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6h s GLU 13 N -0.93 0.95 -0.40 1.61 1.03 -1.26 -5.07 118.70 114.63 1x6h s GLU 13 Ca 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 54.97 53.96 1x6h s GLU 13 Cb 0.00 -1.05 0.10 0.00 -0.80 0.00 0.00 34.13 32.38 1x6h s GLU 13 CO 0.00 0.24 0.20 0.15 -1.33 0.00 0.00 175.26 174.52 1x6h s LYS 14 N -1.71 2.14 0.29 -4.83 1.02 -1.26 -4.70 119.74 110.69 1x6h s LYS 14 Ca 0.02 -1.72 0.07 0.00 0.02 0.00 0.00 55.97 54.36 1x6h s LYS 14 Cb -0.10 -3.58 0.44 0.00 -0.52 0.00 0.00 37.83 34.07 1x6h s LYS 14 CO 0.03 -1.02 1.68 -1.00 -0.92 0.00 0.00 175.35 174.12 1x6h h PRO 15 N 8.10 0.18 -6.40 -1.68 0.13 -1.80 -3.41 132.00 127.12 1x6h h PRO 15 Ca -0.15 -0.10 -0.55 0.00 -0.87 0.00 0.00 66.00 64.33 1x6h h PRO 15 Cb 1.05 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.11 1x6h h PRO 15 CO 0.70 0.62 0.98 0.71 -0.23 0.00 0.00 178.00 180.77 1x6h s TYR 16 N -4.02 2.47 -0.18 1.56 1.51 -1.00 -4.95 117.35 112.76 1x6h s TYR 16 Ca -0.04 0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 56.16 1x6h s TYR 16 Cb 0.13 -4.54 -0.01 0.00 -0.11 0.00 0.00 41.96 37.44 1x6h s TYR 16 CO 0.77 -1.79 -0.09 0.00 -1.11 0.00 0.00 175.55 173.32 1x6h s ALA 17 N 5.22 2.70 0.67 3.71 0.00 -1.26 0.39 121.76 133.19 1x6h s ALA 17 Ca 0.38 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1x6h s ALA 17 Cb -0.08 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1x6h s ALA 17 CO 0.20 -0.11 1.27 0.00 0.00 0.00 0.00 175.76 177.13 1x6h n SER 19 N -2.15 1.74 -0.11 0.00 7.64 -1.26 -4.37 113.62 115.11 1x6h n SER 19 Ca 0.15 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 60.05 1x6h n SER 19 Cb 0.49 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 1x6h n SER 19 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1x6h h HIS 20 N 0.03 0.50 -4.71 1.43 3.86 -1.98 -3.46 115.15 110.83 1x6h h HIS 20 Ca -0.47 -0.03 -0.47 0.00 -1.16 0.00 0.00 60.37 58.25 1x6h h HIS 20 Cb 2.01 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 30.23 1x6h h HIS 20 CO 0.05 0.44 -0.35 0.00 0.86 0.00 0.00 177.93 178.92 1x6h n ASP 22 N -1.30 7.39 -4.61 0.00 2.03 -1.26 -4.47 116.55 114.33 1x6h n ASP 22 Ca -0.13 -3.81 -0.30 0.00 0.52 0.00 0.00 54.79 51.07 1x6h n ASP 22 Cb 0.47 -1.06 -0.09 0.00 -0.72 0.00 0.00 41.12 39.71 1x6h n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x6h s LYS 23 N -4.10 2.27 0.14 -0.67 -0.14 -1.26 -5.00 119.74 110.97 1x6h s LYS 23 Ca 0.50 -0.96 0.06 0.00 -1.36 0.00 0.00 55.97 54.21 1x6h s LYS 23 Cb 0.39 -2.38 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 1x6h s LYS 23 CO -0.36 0.52 -0.14 0.95 -0.76 0.00 0.00 175.35 175.56 1x6h s THR 24 N -1.23 1.39 0.06 2.17 -4.23 -1.26 -0.34 115.64 112.19 1x6h s THR 24 Ca 0.22 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1x6h s THR 24 Cb -0.11 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1x6h s THR 24 CO 0.15 -0.49 0.20 -0.36 -0.54 0.00 0.00 174.62 173.58 1x6h s PHE 25 N -2.45 0.08 -0.08 3.99 0.40 0.16 -4.98 117.98 115.10 1x6h s PHE 25 Ca 0.12 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1x6h s PHE 25 Cb -0.03 -0.03 -0.08 0.00 0.51 0.00 0.00 43.02 43.39 1x6h s PHE 25 CO 0.03 -0.49 0.38 0.00 0.70 0.00 0.00 175.22 175.84 1x6h h ARG 26 N 3.08 -0.15 -5.50 0.44 3.08 -1.84 -2.63 114.38 110.85 1x6h h ARG 26 Ca -0.33 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.09 1x6h h ARG 26 Cb 1.20 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.18 1x6h h ARG 26 CO 0.52 0.09 -0.50 -0.65 -1.07 0.00 0.00 179.97 178.35 1x6h s GLN 27 N -2.34 3.71 0.26 0.04 -0.21 -1.26 -4.55 119.66 115.30 1x6h s GLN 27 Ca -0.06 -0.21 -0.08 0.00 0.02 0.00 0.00 55.36 55.03 1x6h s GLN 27 Cb -0.00 -3.24 0.43 0.00 1.00 0.00 0.00 33.01 31.20 1x6h s GLN 27 CO 0.22 0.56 1.59 -0.22 -2.12 0.00 0.00 175.29 175.32 1x6h h LYS 28 N 5.74 0.01 -0.94 2.91 3.64 -1.96 0.17 116.57 126.15 1x6h h LYS 28 Ca -0.48 -0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1x6h h LYS 28 Cb 1.19 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.83 1x6h h LYS 28 CO 0.65 0.01 -0.10 0.94 -2.27 0.00 0.00 179.45 178.68 1x6h n GLN 29 N -5.52 -0.08 0.05 1.90 7.27 -1.26 0.45 117.38 120.18 1x6h n GLN 29 Ca 0.14 1.43 -0.11 0.00 0.07 0.00 0.00 57.00 58.53 1x6h n GLN 29 Cb 0.48 -2.21 -0.05 0.00 2.41 0.00 0.00 30.24 30.87 1x6h n GLN 29 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1x6h h LEU 30 N 0.00 -0.32 -1.70 1.69 -0.00 -1.06 0.20 115.31 114.11 1x6h h LEU 30 Ca 0.51 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.42 1x6h h LEU 30 Cb 0.94 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1x6h h LEU 30 CO -0.92 -0.16 -0.10 0.25 -0.00 0.00 0.00 178.44 177.51 1x6h h LEU 31 N -0.19 0.00 0.05 1.67 5.85 0.01 0.90 115.31 123.60 1x6h h LEU 31 Ca 0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 1x6h h LEU 31 Cb 0.24 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.29 1x6h h LEU 31 CO -0.12 0.10 -0.69 -0.78 -0.34 0.00 0.00 178.44 176.61 1x6h h ASP 32 N 0.00 0.52 0.77 1.25 3.58 0.11 -3.15 116.42 119.50 1x6h h ASP 32 Ca -0.00 -0.82 -0.19 0.00 0.42 0.00 0.00 57.03 56.43 1x6h h ASP 32 Cb 0.45 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1x6h h ASP 32 CO 0.01 1.29 -0.90 0.00 -2.88 0.00 0.00 179.24 176.76 1x6h h MET 33 N -0.18 0.07 -0.40 0.28 -0.00 -0.47 -3.20 114.93 111.04 1x6h h MET 33 Ca -0.10 -0.09 0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1x6h h MET 33 Cb 1.43 0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 33.04 1x6h h MET 33 CO 0.13 0.92 0.24 1.25 -0.00 0.00 0.00 176.91 179.45 1x6h h HIS 34 N 0.04 0.44 0.51 -0.10 -0.00 -0.91 0.05 115.15 115.18 1x6h h HIS 34 Ca -0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1x6h h HIS 34 Cb 1.56 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.83 1x6h h HIS 34 CO 0.01 0.26 -0.25 0.35 -0.00 0.00 0.00 177.93 178.31 1x6h h PHE 35 N 0.48 -0.64 0.00 5.26 3.04 -1.61 0.24 116.94 123.72 1x6h h PHE 35 Ca 0.16 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1x6h h PHE 35 Cb -0.00 0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1x6h h PHE 35 CO -0.07 -0.36 0.00 1.63 -2.02 0.00 0.00 178.31 177.49 1x6h n LYS 36 N -5.36 0.10 -0.06 1.11 5.02 -1.16 -1.34 118.16 116.47 1x6h n LYS 36 Ca -0.12 0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.34 1x6h n LYS 36 Cb 0.30 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1x6h n LYS 36 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x6h n ARG 37 N -1.31 0.39 0.03 1.97 0.63 -0.01 -1.35 116.66 117.00 1x6h n ARG 37 Ca 0.04 0.25 -0.02 0.00 -0.92 0.00 0.00 57.85 57.19 1x6h n ARG 37 Cb 0.07 -1.28 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 1x6h n ARG 37 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1x6h h TYR 38 N -0.76 -0.10 0.00 -0.14 -1.99 -0.52 -3.27 116.97 110.18 1x6h h TYR 38 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1x6h h TYR 38 Cb 0.66 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1x6h h TYR 38 CO -0.28 -0.06 0.13 0.72 -0.00 0.00 0.00 178.16 178.66 1x6h n HIS 39 N -3.31 0.37 -3.64 4.88 8.25 -0.45 -4.22 115.22 117.10 1x6h n HIS 39 Ca -0.01 0.20 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 1x6h n HIS 39 Cb 0.04 -0.71 -0.13 0.00 1.12 0.00 0.00 29.99 30.31 1x6h n HIS 39 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x6h s ASP 40 N -3.39 0.38 0.00 0.41 1.01 -0.89 -4.97 116.67 109.23 1x6h s ASP 40 Ca -0.01 0.56 0.14 0.00 0.71 0.00 0.00 52.55 53.94 1x6h s ASP 40 Cb 0.03 0.72 0.83 0.00 1.01 0.00 0.00 42.92 45.51 1x6h s ASP 40 CO 0.10 -0.25 1.25 -0.81 0.21 0.00 0.00 175.17 175.67 1x6h n PRO 41 N 5.35 0.49 0.36 8.23 -0.04 -1.24 -3.13 135.00 145.02 1x6h n PRO 41 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 1x6h n PRO 41 Cb 0.50 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1x6h n PRO 41 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1x6h h ASN 42 N 0.00 -0.80 -2.81 3.54 2.35 -1.82 -3.42 115.58 112.61 1x6h h ASN 42 Ca 0.00 0.03 -0.54 0.00 -0.55 0.00 0.00 56.30 55.24 1x6h h ASN 42 Cb 0.00 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1x6h h ASN 42 CO 0.00 -0.42 0.91 0.12 -1.65 0.00 0.00 177.43 176.39 1x6h s PHE 43 N -4.63 2.63 -0.13 1.19 2.19 -0.46 -5.00 117.98 113.77 1x6h s PHE 43 Ca -0.14 0.61 -0.01 0.00 0.33 0.00 0.00 56.93 57.72 1x6h s PHE 43 Cb 0.01 -3.78 0.03 0.00 -1.31 0.00 0.00 43.02 37.98 1x6h s PHE 43 CO 0.41 -3.00 -0.06 0.54 1.83 0.00 0.00 175.22 174.95 1x6h s VAL 44 N 2.69 0.98 0.18 3.12 0.11 -1.26 -4.40 120.40 121.82 1x6h s VAL 44 Ca 0.68 -0.38 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1x6h s VAL 44 Cb -0.34 -1.08 -0.08 0.00 -1.53 0.00 0.00 36.38 33.34 1x6h s VAL 44 CO 0.28 0.26 1.32 -2.16 -3.33 0.00 0.00 175.10 171.47 1x6h s PRO 45 N 1.71 4.38 -0.48 1.54 0.04 -1.26 -4.96 135.00 135.96 1x6h s PRO 45 Ca 0.03 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1x6h s PRO 45 Cb -0.14 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.20 1x6h s PRO 45 CO -0.08 -0.29 1.42 0.00 0.04 0.00 0.00 177.00 178.09 1x6h s ALA 46 N 0.36 2.92 -0.37 8.56 0.00 -1.26 -4.98 121.76 126.99 1x6h s ALA 46 Ca 0.58 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 1x6h s ALA 46 Cb -0.36 -4.02 0.06 0.00 0.00 0.00 0.00 23.12 18.80 1x6h s ALA 46 CO 0.36 -2.67 0.17 0.00 0.00 0.00 0.00 175.76 173.62 1x6h s ALA 47 N 5.79 3.14 -0.00 0.00 0.00 -1.26 -3.89 121.76 125.53 1x6h s ALA 47 Ca 0.57 -1.95 0.05 0.00 0.00 0.00 0.00 51.96 50.63 1x6h s ALA 47 Cb -0.12 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1x6h s ALA 47 CO 0.29 -1.48 -0.15 -0.06 0.00 0.00 0.00 175.76 174.35 1x6h s PHE 48 N 1.39 1.36 0.06 0.00 0.40 -0.70 -5.02 117.98 115.48 1x6h s PHE 48 Ca 0.01 -0.27 0.09 0.00 -0.60 0.00 0.00 56.93 56.16 1x6h s PHE 48 Cb -0.21 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1x6h s PHE 48 CO 0.02 -0.01 -0.22 0.08 0.70 0.00 0.00 175.22 175.78 1x6h s VAL 49 N -0.42 2.48 0.36 -0.44 1.01 -1.26 0.22 120.40 122.35 1x6h s VAL 49 Ca 0.05 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 1x6h s VAL 49 Cb -0.06 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 1x6h s VAL 49 CO -0.00 0.30 1.06 0.00 0.00 0.00 0.00 175.10 176.46 1x6h n SER 51 N 0.33 2.44 -0.10 0.00 7.64 -1.26 -2.65 113.62 120.02 1x6h n SER 51 Ca 0.03 -1.72 -0.24 0.00 1.01 0.00 0.00 58.87 57.95 1x6h n SER 51 Cb 0.48 0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 63.82 1x6h n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x6h n LYS 52 N 0.58 0.62 -0.05 1.43 5.02 -1.26 -4.78 118.16 119.72 1x6h n LYS 52 Ca 0.12 0.35 -0.07 0.00 -2.02 0.00 0.00 58.31 56.68 1x6h n LYS 52 Cb 0.52 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 1x6h n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6h n GLY 54 N 2.89 1.82 3.94 0.00 0.00 -1.08 -4.37 105.19 108.39 1x6h n GLY 54 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1x6h n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6h s LYS 55 N -0.49 3.19 -0.11 1.61 1.02 -1.26 -4.72 119.74 118.97 1x6h s LYS 55 Ca 0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 1x6h s LYS 55 Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1x6h s LYS 55 CO 0.00 -0.27 0.13 0.95 -0.92 0.00 0.00 175.35 175.24 1x6h s THR 56 N -2.62 5.42 -0.04 2.17 -4.23 -1.26 -0.37 115.64 114.71 1x6h s THR 56 Ca 0.48 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1x6h s THR 56 Cb -0.10 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.40 1x6h s THR 56 CO 0.40 0.61 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.72 1x6h s PHE 57 N -1.03 0.45 -0.32 3.99 0.40 0.13 -4.97 117.98 116.64 1x6h s PHE 57 Ca 0.15 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 1x6h s PHE 57 Cb -0.12 -0.51 0.24 0.00 0.51 0.00 0.00 43.02 43.14 1x6h s PHE 57 CO 0.04 -0.16 1.21 2.41 0.70 0.00 0.00 175.22 179.42 1x6h n THR 58 N 4.23 1.53 -3.16 0.64 -1.04 -1.26 -1.71 114.28 113.51 1x6h n THR 58 Ca -0.24 -0.61 0.04 0.00 -2.04 0.00 0.00 64.05 61.20 1x6h n THR 58 Cb 0.50 -0.71 -0.01 0.00 -1.82 0.00 0.00 70.33 68.29 1x6h n THR 58 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1x6h s ARG 59 N -1.26 0.56 0.19 -2.82 0.52 -1.25 -4.62 118.95 110.28 1x6h s ARG 59 Ca 0.19 0.98 -0.13 0.00 -0.52 0.00 0.00 55.73 56.25 1x6h s ARG 59 Cb 0.16 0.52 0.20 0.00 0.52 0.00 0.00 34.95 36.35 1x6h s ARG 59 CO 0.04 -0.63 1.67 -0.09 0.02 0.00 0.00 175.30 176.31 1x6h h ARG 60 N 8.01 0.09 -0.43 3.54 1.12 -1.86 0.70 114.38 125.55 1x6h h ARG 60 Ca -0.22 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.69 1x6h h ARG 60 Cb 1.16 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.06 1x6h h ARG 60 CO 0.26 0.06 0.18 -0.97 -3.11 0.00 0.00 179.97 176.38 1x6h h ASN 61 N 0.09 0.22 -0.42 -3.80 -1.24 -1.98 0.83 115.58 109.28 1x6h h ASN 61 Ca 0.26 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.31 1x6h h ASN 61 Cb 0.41 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1x6h h ASN 61 CO -0.46 0.16 0.24 0.74 -1.29 0.00 0.00 177.43 176.83 1x6h h THR 62 N 0.36 1.15 0.08 -3.57 2.02 -1.65 -2.63 112.91 108.66 1x6h h THR 62 Ca 0.19 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1x6h h THR 62 Cb 0.15 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1x6h h THR 62 CO -0.17 0.15 -0.04 -0.03 0.37 0.00 0.00 175.52 175.80 1x6h h MET 63 N 0.55 -0.10 -0.58 6.66 1.85 -0.45 0.25 114.93 123.11 1x6h h MET 63 Ca 0.15 0.01 0.11 0.00 -0.61 0.00 0.00 59.70 59.36 1x6h h MET 63 Cb 0.03 0.02 -0.11 0.00 0.43 0.00 0.00 31.60 31.97 1x6h h MET 63 CO -0.03 0.02 -0.25 0.00 -0.40 0.00 0.00 176.91 176.25 1x6h h ALA 64 N 0.72 0.17 -0.24 0.39 0.00 -0.73 0.12 119.26 119.69 1x6h h ALA 64 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x6h h ALA 64 Cb 0.17 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1x6h h ALA 64 CO 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 179.25 178.69 1x6h h ARG 65 N -0.10 0.43 -0.80 0.00 3.08 -1.36 -3.07 114.38 112.56 1x6h h ARG 65 Ca 0.26 -0.15 0.17 0.00 0.07 0.00 0.00 59.98 60.34 1x6h h ARG 65 Cb 0.51 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 1x6h h ARG 65 CO -0.64 0.63 0.28 1.25 -1.07 0.00 0.00 179.97 180.41 1x6h h HIS 66 N 0.19 0.46 -0.91 3.04 2.76 0.24 0.10 115.15 121.03 1x6h h HIS 66 Ca 0.06 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.41 1x6h h HIS 66 Cb 0.44 -0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.24 1x6h h HIS 66 CO 0.04 -0.03 0.53 0.00 -1.30 0.00 0.00 177.93 177.17 1x6h h ALA 67 N 1.63 1.37 0.07 5.26 0.00 -0.93 0.60 119.26 127.27 1x6h h ALA 67 Ca 0.46 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.44 1x6h h ALA 67 Cb 0.79 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1x6h h ALA 67 CO -0.49 0.05 -0.16 0.22 0.00 0.00 0.00 179.25 178.88 1x6h h ASP 68 N 0.79 -0.44 -0.04 0.00 3.58 -0.83 -1.43 116.42 118.05 1x6h h ASP 68 Ca 0.47 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1x6h h ASP 68 Cb 0.57 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1x6h h ASP 68 CO -0.31 -0.23 0.00 0.59 -2.88 0.00 0.00 179.24 176.42 1x6h n ASN 69 N -5.28 0.68 -4.85 2.28 3.02 -0.78 -4.87 115.26 105.46 1x6h n ASN 69 Ca -0.06 -1.37 -0.32 0.00 -0.03 0.00 0.00 54.58 52.80 1x6h n ASN 69 Cb 0.20 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1x6h n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x6h n ALA 71 N -1.77 2.11 0.00 0.00 0.00 -1.26 -4.96 120.51 114.63 1x6h n ALA 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x6h n ALA 71 Cb 0.54 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1x6h n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6h n GLY 72 N 3.20 -0.66 3.66 0.00 0.00 -1.26 -4.87 105.19 105.25 1x6h n GLY 72 Ca 0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1x6h n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6h s PRO 73 N -1.89 4.17 0.11 1.61 0.04 -1.26 -4.44 135.00 133.34 1x6h s PRO 73 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1x6h s PRO 73 Cb 0.00 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1x6h s PRO 73 CO 0.00 -0.84 0.00 -3.47 0.04 0.00 0.00 177.00 172.73 1x6h n ASP 74 N 7.08 0.15 -3.65 6.66 2.03 -1.26 -5.09 116.55 122.47 1x6h n ASP 74 Ca 0.16 0.19 -0.03 0.00 0.52 0.00 0.00 54.79 55.63 1x6h n ASP 74 Cb 0.44 0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1x6h n ASP 74 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1x6h s GLY 75 N -4.81 -0.68 0.32 0.27 0.00 -1.26 -5.15 107.32 96.01 1x6h s GLY 75 Ca 0.00 2.30 -0.29 0.00 0.00 0.00 0.00 44.72 46.73 1x6h s GLY 75 CO 0.00 2.84 1.33 0.54 0.00 0.00 0.00 173.10 177.81 1x6h s VAL 76 N 2.54 2.72 -0.24 1.40 0.11 -1.26 -4.95 120.40 120.72 1x6h s VAL 76 Ca -0.07 0.70 -0.06 0.00 -2.93 0.00 0.00 61.98 59.62 1x6h s VAL 76 Cb -0.10 -3.45 -0.17 0.00 -1.53 0.00 0.00 36.38 31.13 1x6h s VAL 76 CO -0.19 0.16 -0.14 -1.84 -3.33 0.00 0.00 175.10 169.76 1x6h n GLU 77 N 1.07 0.64 -0.78 1.54 0.28 -1.26 -5.00 120.64 117.14 1x6h n GLU 77 Ca 0.01 0.24 -0.34 0.00 -0.16 0.00 0.00 57.16 56.91 1x6h n GLU 77 Cb 0.42 -1.56 0.13 0.00 1.43 0.00 0.00 31.44 31.85 1x6h n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x6h n GLY 78 N 1.85 -2.69 3.27 -1.84 0.00 -1.26 -5.03 105.19 99.48 1x6h n GLY 78 Ca -0.45 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 1x6h n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6h s GLU 79 N -3.02 1.35 -0.29 1.61 -1.05 -1.26 -5.01 118.70 111.01 1x6h s GLU 79 Ca 0.50 -1.73 -0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1x6h s GLU 79 Cb -0.07 -0.01 0.09 0.00 -0.44 0.00 0.00 34.13 33.70 1x6h s GLU 79 CO 0.67 -0.36 0.06 -0.80 0.95 0.00 0.00 175.26 175.78 1x6h s ASN 80 N -3.25 4.01 0.74 0.83 -0.87 -1.26 -5.12 114.94 110.01 1x6h s ASN 80 Ca 0.38 -1.57 -0.15 0.00 -1.57 0.00 0.00 52.86 49.95 1x6h s ASN 80 Cb 0.07 -1.00 0.04 0.00 -0.02 0.00 0.00 41.25 40.34 1x6h s ASN 80 CO 0.14 -0.37 1.18 -1.54 -2.57 0.00 0.00 177.10 173.93 1x6h n SER 81 N 4.75 1.22 0.00 -1.22 3.41 -1.26 -4.90 113.62 115.62 1x6h n SER 81 Ca -0.03 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1x6h n SER 81 Cb 0.43 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1x6h n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6h n GLY 82 N 0.78 -1.25 3.68 5.00 0.00 -1.26 -5.12 105.19 107.02 1x6h n GLY 82 Ca 0.14 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.39 1x6h n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6h s PRO 83 N 0.61 4.25 -0.01 1.61 0.04 -1.26 -5.02 135.00 135.21 1x6h s PRO 83 Ca 0.00 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.14 1x6h s PRO 83 Cb 0.00 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 1x6h s PRO 83 CO 0.00 -0.66 -0.25 0.45 0.04 0.00 0.00 177.00 176.58 1x6h s SER 84 N 2.25 3.13 0.17 6.66 0.15 -1.26 -5.14 113.70 119.67 1x6h s SER 84 Ca 0.66 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.94 1x6h s SER 84 Cb -0.32 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 1x6h s SER 84 CO 0.26 0.31 -0.17 -0.55 1.20 0.00 0.00 173.24 174.30 1x6h s SER 85 N -0.71 3.86 0.00 5.45 0.15 -1.26 -5.25 113.70 115.94 1x6h s SER 85 Ca 0.10 -0.69 0.30 0.00 0.70 0.00 0.00 55.95 56.36 1x6h s SER 85 Cb -0.10 -0.50 1.77 0.00 -1.71 0.00 0.00 66.02 65.48 1x6h s SER 85 CO -0.00 0.12 2.11 0.61 1.20 0.00 0.00 173.24 177.27