#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdv s LEU 9 N 0.00 4.35 -0.33 0.99 2.96 -0.96 -4.81 118.68 120.88 1mdv s LEU 9 Ca 0.00 2.07 -0.15 0.00 -0.22 0.00 0.00 54.13 55.83 1mdv s LEU 9 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1mdv s LEU 9 CO 0.00 -0.58 0.36 -0.75 -1.32 0.00 0.00 176.35 174.06 1mdv s LYS 10 N 1.52 3.63 -0.01 1.98 2.20 -1.26 -2.38 119.74 125.42 1mdv s LYS 10 Ca 0.61 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 1mdv s LYS 10 Cb -0.31 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 1mdv s LYS 10 CO 0.28 -0.48 1.12 1.41 -0.36 0.00 0.00 175.35 177.31 1mdv s MET 11 N 2.01 4.44 0.22 4.03 -2.45 -0.54 -4.82 119.30 122.19 1mdv s MET 11 Ca 0.12 1.60 0.00 0.00 -1.25 0.00 0.00 55.69 56.16 1mdv s MET 11 Cb -0.16 -3.46 0.00 0.00 1.25 0.00 0.00 34.83 32.45 1mdv s MET 11 CO 0.11 -0.27 0.00 0.39 1.05 0.00 0.00 175.02 176.31 1mdv n GLU 12 N 4.43 0.00 0.00 4.11 1.02 -1.25 -3.69 120.64 125.26 1mdv n GLU 12 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1mdv n GLU 12 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1mdv n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mdv n ALA 13 N -3.23 0.00 -0.06 0.62 0.00 -1.26 -2.26 120.51 114.32 1mdv n ALA 13 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1mdv n ALA 13 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1mdv n ALA 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mdv n THR 14 N 0.00 0.72 -2.70 0.00 -2.24 -1.26 -4.97 114.28 103.83 1mdv n THR 14 Ca 0.00 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 1mdv n THR 14 Cb 0.00 -1.68 0.09 0.00 -2.10 0.00 0.00 70.33 66.64 1mdv n THR 14 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1mdv n LYS 15 N -3.57 0.51 -3.71 -0.78 4.81 -0.96 -5.09 118.16 109.37 1mdv n LYS 15 Ca -0.23 -1.24 -0.29 0.00 -0.87 0.00 0.00 58.31 55.68 1mdv n LYS 15 Cb 0.64 -0.63 -0.12 0.00 0.02 0.00 0.00 35.03 34.94 1mdv n LYS 15 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1mdv s GLN 16 N 0.21 1.48 -0.58 1.64 -0.21 -1.04 -5.09 119.66 116.08 1mdv s GLN 16 Ca 0.23 -2.31 -0.27 0.00 0.02 0.00 0.00 55.36 53.04 1mdv s GLN 16 Cb 0.27 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 1mdv s GLN 16 CO -0.14 -1.22 1.87 -1.25 -2.12 0.00 0.00 175.29 172.43 1mdv s PRO 17 N -0.07 2.68 -0.24 2.91 0.04 -1.26 -3.79 135.00 135.26 1mdv s PRO 17 Ca 0.21 0.70 -0.37 0.00 0.04 0.00 0.00 61.00 61.59 1mdv s PRO 17 Cb -0.16 -4.38 0.15 0.00 0.04 0.00 0.00 34.50 30.15 1mdv s PRO 17 CO -0.06 -2.67 1.30 0.54 0.04 0.00 0.00 177.00 176.15 1mdv s VAL 18 N 8.97 0.00 -0.21 -0.36 0.11 -1.24 -4.76 120.40 122.90 1mdv s VAL 18 Ca 0.69 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.70 1mdv s VAL 18 Cb -0.14 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.82 1mdv s VAL 18 CO 0.22 0.00 0.27 0.54 -3.33 0.00 0.00 175.10 172.80 1mdv s VAL 19 N -2.19 -0.42 -0.32 2.04 0.11 -1.26 -1.47 120.40 116.90 1mdv s VAL 19 Ca 0.10 -0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.86 1mdv s VAL 19 Cb -0.01 -0.71 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1mdv s VAL 19 CO -0.04 -0.16 0.70 -0.22 -3.33 0.00 0.00 175.10 172.05 1mdv s LEU 20 N 2.40 4.14 -0.36 2.54 1.98 -1.00 -4.98 118.68 123.41 1mdv s LEU 20 Ca 0.08 0.47 -0.22 0.00 -2.89 0.00 0.00 54.13 51.58 1mdv s LEU 20 Cb -0.15 -2.92 0.01 0.00 0.66 0.00 0.00 46.19 43.78 1mdv s LEU 20 CO -0.13 -0.56 0.71 0.21 -1.89 0.00 0.00 176.35 174.69 1mdv s ASN 21 N 1.67 6.49 0.22 3.68 3.84 -1.26 -2.25 114.94 127.33 1mdv s ASN 21 Ca 0.28 0.26 0.24 0.00 0.21 0.00 0.00 52.86 53.86 1mdv s ASN 21 Cb -0.14 -2.36 0.91 0.00 -0.55 0.00 0.00 41.25 39.11 1mdv s ASN 21 CO 0.13 -0.66 1.74 1.41 -2.79 0.00 0.00 177.10 176.92 1mdv n HIS 22 N 6.22 0.80 0.12 0.43 8.25 -1.26 -3.34 115.22 126.45 1mdv n HIS 22 Ca 0.01 0.28 -0.01 0.00 -0.26 0.00 0.00 57.72 57.74 1mdv n HIS 22 Cb 0.48 -0.95 0.08 0.00 1.12 0.00 0.00 29.99 30.72 1mdv n HIS 22 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1mdv h SER 23 N 0.00 0.00 0.85 0.41 0.02 -1.97 -3.29 113.55 109.56 1mdv h SER 23 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1mdv h SER 23 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1mdv h SER 23 CO 0.00 0.66 -1.03 0.71 -1.14 0.00 0.00 176.83 176.03 1mdv h THR 24 N 0.00 1.63 -1.40 -2.27 1.35 -1.99 -3.33 112.91 106.90 1mdv h THR 24 Ca -0.01 -3.19 -0.60 0.00 -0.55 0.00 0.00 66.41 62.06 1mdv h THR 24 Cb 1.34 2.80 -0.21 0.00 -1.73 0.00 0.00 68.15 70.35 1mdv h THR 24 CO 0.09 0.92 0.64 1.41 -0.25 0.00 0.00 175.52 178.33 1mdv n HIS 25 N -3.45 2.09 -0.08 4.73 8.25 -1.24 -4.68 115.22 120.84 1mdv n HIS 25 Ca -0.03 -2.08 -0.10 0.00 -0.26 0.00 0.00 57.72 55.26 1mdv n HIS 25 Cb 0.93 -1.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 1mdv n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1mdv h LYS 26 N 3.02 0.39 0.00 -0.41 1.57 -1.74 -2.98 116.57 116.41 1mdv h LYS 26 Ca 0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1mdv h LYS 26 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1mdv h LYS 26 CO 1.08 0.36 0.00 -1.13 -0.57 0.00 0.00 179.45 179.19 1mdv n SER 27 N -4.82 0.00 -4.86 0.86 3.41 -1.26 -4.79 113.62 102.15 1mdv n SER 27 Ca -0.02 -0.80 -0.37 0.00 -0.26 0.00 0.00 58.87 57.42 1mdv n SER 27 Cb 0.09 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1mdv n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mdv s VAL 28 N -2.01 5.46 0.38 -3.33 1.01 -1.13 -5.08 120.40 115.70 1mdv s VAL 28 Ca 0.39 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1mdv s VAL 28 Cb 0.18 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 1mdv s VAL 28 CO 0.30 0.60 1.08 -0.54 0.00 0.00 0.00 175.10 176.54 1mdv s LYS 29 N -0.93 4.22 0.29 2.72 1.02 -1.26 -4.94 119.74 120.86 1mdv s LYS 29 Ca 0.15 1.61 0.03 0.00 0.02 0.00 0.00 55.97 57.78 1mdv s LYS 29 Cb -0.12 -2.67 0.62 0.00 -0.52 0.00 0.00 37.83 35.14 1mdv s LYS 29 CO 0.04 -0.11 1.80 0.00 -0.92 0.00 0.00 175.35 176.16 1mdv n GLY 31 N -1.34 -1.17 0.21 0.00 0.00 -1.26 -1.97 105.19 99.66 1mdv n GLY 31 Ca 0.20 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1mdv n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mdv h ASP 32 N 0.00 0.00 0.00 1.61 3.32 -1.79 -3.34 116.42 116.22 1mdv h ASP 32 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1mdv h ASP 32 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1mdv h ASP 32 CO 0.00 0.25 -0.98 0.00 -1.72 0.00 0.00 179.24 176.79 1mdv n HIS 34 N -4.16 3.41 -1.33 0.00 8.25 -0.83 -4.96 115.22 115.60 1mdv n HIS 34 Ca -0.16 -2.50 -0.35 0.00 -0.26 0.00 0.00 57.72 54.45 1mdv n HIS 34 Cb 0.45 -2.42 0.09 0.00 1.12 0.00 0.00 29.99 29.24 1mdv n HIS 34 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mdv n HIS 35 N 8.11 0.64 -1.56 4.41 1.44 -1.25 -4.54 115.22 122.47 1mdv n HIS 35 Ca 0.50 0.39 -0.42 0.00 -2.01 0.00 0.00 57.72 56.18 1mdv n HIS 35 Cb 0.42 -2.07 -0.04 0.00 0.12 0.00 0.00 29.99 28.42 1mdv n HIS 35 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1mdv n PRO 36 N -1.92 1.54 -2.63 -1.40 -0.02 -1.26 -4.89 135.00 124.41 1mdv n PRO 36 Ca 0.13 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1mdv n PRO 36 Cb 0.50 -3.16 -0.01 0.00 -0.02 0.00 0.00 33.50 30.81 1mdv n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mdv s VAL 37 N 9.34 4.21 -0.91 -1.45 1.01 -1.20 -4.30 120.40 127.10 1mdv s VAL 37 Ca 1.02 -1.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1mdv s VAL 37 Cb -0.38 -5.13 -0.05 0.00 0.00 0.00 0.00 36.38 30.82 1mdv s VAL 37 CO 0.35 -1.95 0.81 0.59 0.00 0.00 0.00 175.10 174.89 1mdv n ASN 38 N 8.11 -6.41 0.00 3.32 3.02 -1.26 -3.89 115.26 118.15 1mdv n ASN 38 Ca 0.44 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1mdv n ASN 38 Cb 0.47 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 1mdv n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mdv n GLY 39 N -1.33 1.96 0.00 7.41 0.00 -1.26 -4.94 105.19 107.03 1mdv n GLY 39 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1mdv n GLY 39 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1mdv n LYS 40 N 0.00 -0.85 -3.78 1.61 2.85 -1.25 -4.95 118.16 111.79 1mdv n LYS 40 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1mdv n LYS 40 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 1mdv n LYS 40 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1mdv s GLU 41 N -2.49 0.09 -0.11 -1.58 -1.05 -1.26 -3.23 118.70 109.07 1mdv s GLU 41 Ca 0.00 0.28 -0.07 0.00 -0.15 0.00 0.00 54.97 55.03 1mdv s GLU 41 Cb 0.00 -0.10 0.04 0.00 -0.44 0.00 0.00 34.13 33.63 1mdv s GLU 41 CO 0.00 -0.11 0.27 0.16 0.95 0.00 0.00 175.26 176.53 1mdv s ASP 42 N 0.78 -0.30 -1.02 0.83 -4.77 -1.26 -5.06 116.67 105.87 1mdv s ASP 42 Ca -0.06 0.58 -0.05 0.00 -3.30 0.00 0.00 52.55 49.72 1mdv s ASP 42 Cb -0.08 0.50 0.26 0.00 -1.09 0.00 0.00 42.92 42.52 1mdv s ASP 42 CO -0.04 -0.14 1.05 -1.22 0.70 0.00 0.00 175.17 175.52 1mdv n TYR 43 N 3.79 4.37 -4.44 2.11 4.02 -1.26 -4.97 117.16 120.77 1mdv n TYR 43 Ca -0.21 -3.78 -0.26 0.00 -0.01 0.00 0.00 57.90 53.64 1mdv n TYR 43 Cb 0.55 -1.39 -0.10 0.00 -0.02 0.00 0.00 39.34 38.38 1mdv n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1mdv s ARG 44 N -1.64 2.00 0.45 -0.72 0.52 -1.26 -5.11 118.95 113.20 1mdv s ARG 44 Ca 0.30 -1.92 -0.24 0.00 -0.52 0.00 0.00 55.73 53.35 1mdv s ARG 44 Cb -0.05 -1.79 -0.09 0.00 0.52 0.00 0.00 34.95 33.54 1mdv s ARG 44 CO -0.06 0.04 1.18 1.63 0.02 0.00 0.00 175.30 178.10 1mdv n LYS 45 N -0.96 1.64 -0.01 3.54 5.02 -1.26 -4.91 118.16 121.22 1mdv n LYS 45 Ca -0.04 0.59 -0.03 0.00 -2.02 0.00 0.00 58.31 56.81 1mdv n LYS 45 Cb 0.64 -2.29 0.20 0.00 -0.02 0.00 0.00 35.03 33.57 1mdv n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdv n GLY 47 N -0.47 3.59 3.81 0.00 0.00 -1.26 -2.77 105.19 108.09 1mdv n GLY 47 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1mdv n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mdv s THR 48 N -2.25 4.19 0.06 2.61 -1.32 -1.16 -4.70 115.64 113.07 1mdv s THR 48 Ca 0.39 1.36 -0.36 0.00 -1.21 0.00 0.00 61.69 61.87 1mdv s THR 48 Cb 0.32 -3.55 -0.15 0.00 -1.51 0.00 0.00 72.50 67.61 1mdv s THR 48 CO 0.08 -0.30 1.49 0.00 -2.21 0.00 0.00 174.62 173.68 1mdv n ALA 49 N -0.78 -0.04 0.00 11.08 0.00 -1.26 -1.31 120.51 128.21 1mdv n ALA 49 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1mdv n ALA 49 Cb 0.54 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1mdv n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdv n GLY 50 N 3.11 3.34 0.00 0.00 0.00 -1.26 -4.97 105.19 105.40 1mdv n GLY 50 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1mdv n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdv n HIS 52 N 0.00 2.33 1.01 0.00 8.25 -1.12 -4.68 115.22 121.01 1mdv n HIS 52 Ca 0.00 -2.57 0.12 0.00 -0.26 0.00 0.00 57.72 55.01 1mdv n HIS 52 Cb 0.00 -1.27 0.09 0.00 1.12 0.00 0.00 29.99 29.93 1mdv n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1mdv n ASP 53 N 1.15 2.88 -4.61 0.41 5.75 -1.16 -4.32 116.55 116.65 1mdv n ASP 53 Ca 0.30 -1.94 -0.43 0.00 -0.01 0.00 0.00 54.79 52.71 1mdv n ASP 53 Cb 0.32 0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 1mdv n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1mdv s SER 54 N -2.05 6.75 0.00 -1.12 0.15 -0.98 -4.93 113.70 111.52 1mdv s SER 54 Ca 0.27 0.69 0.12 0.00 0.70 0.00 0.00 55.95 57.73 1mdv s SER 54 Cb 0.20 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.33 1mdv s SER 54 CO 0.33 -1.08 1.29 0.23 1.20 0.00 0.00 173.24 175.20 1mdv n MET 55 N 7.40 1.76 -3.24 5.44 2.81 -1.26 -1.58 117.12 128.44 1mdv n MET 55 Ca 0.12 -1.18 -0.40 0.00 -1.81 0.00 0.00 57.70 54.43 1mdv n MET 55 Cb 0.48 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.64 1mdv n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1mdv s ASP 56 N -1.08 6.42 0.65 7.83 -1.08 -1.26 -4.94 116.67 123.21 1mdv s ASP 56 Ca 0.24 0.50 0.29 0.00 -0.52 0.00 0.00 52.55 53.06 1mdv s ASP 56 Cb 0.12 -2.28 1.56 0.00 -1.46 0.00 0.00 42.92 40.87 1mdv s ASP 56 CO 0.17 -0.28 1.90 0.50 0.52 0.00 0.00 175.17 177.97 1mdv h LYS 57 N 8.03 0.00 -0.00 4.34 3.64 -2.02 -0.29 116.57 130.27 1mdv h LYS 57 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1mdv h LYS 57 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1mdv h LYS 57 CO 0.71 0.00 -0.10 1.63 -2.27 0.00 0.00 179.45 179.42 1mdv n LYS 58 N -3.06 0.80 -2.53 1.90 5.02 -1.26 -4.72 118.16 114.31 1mdv n LYS 58 Ca 0.00 -0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 55.59 1mdv n LYS 58 Cb 0.45 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1mdv n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mdv s ASP 59 N -2.40 6.20 -0.24 4.39 1.11 -0.12 -4.84 116.67 120.77 1mdv s ASP 59 Ca 0.31 -0.68 0.10 0.00 0.18 0.00 0.00 52.55 52.46 1mdv s ASP 59 Cb 0.20 -2.56 0.68 0.00 1.07 0.00 0.00 42.92 42.31 1mdv s ASP 59 CO 0.46 -1.79 1.62 0.29 1.18 0.00 0.00 175.17 176.93 1mdv n LYS 60 N 9.24 3.91 -2.79 8.23 4.76 -1.26 -4.09 118.16 136.16 1mdv n LYS 60 Ca 0.12 -2.68 -0.22 0.00 -2.87 0.00 0.00 58.31 52.65 1mdv n LYS 60 Cb 0.50 -2.13 0.10 0.00 -1.84 0.00 0.00 35.03 31.65 1mdv n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mdv s SER 61 N -0.72 4.53 0.00 4.39 1.04 -1.26 -4.96 113.70 116.71 1mdv s SER 61 Ca 0.47 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 56.30 1mdv s SER 61 Cb 0.37 0.29 0.24 0.00 0.10 0.00 0.00 66.02 67.02 1mdv s SER 61 CO 0.13 -1.76 1.02 0.00 0.98 0.00 0.00 173.24 173.61 1mdv n ALA 62 N -2.65 1.39 -0.02 5.32 0.00 -1.26 -2.06 120.51 121.22 1mdv n ALA 62 Ca 0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1mdv n ALA 62 Cb 0.61 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1mdv n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mdv n LYS 63 N -1.32 0.65 -1.66 0.00 4.76 -1.26 -4.70 118.16 114.63 1mdv n LYS 63 Ca 0.02 0.28 -0.47 0.00 -2.87 0.00 0.00 58.31 55.27 1mdv n LYS 63 Cb 0.04 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 31.42 1mdv n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mdv n GLY 64 N 1.62 1.49 0.13 0.72 0.00 -0.88 -2.31 105.19 105.96 1mdv n GLY 64 Ca -0.19 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 1mdv n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1mdv h TYR 65 N 10.05 0.38 -0.51 1.61 3.20 -1.48 -2.84 116.97 127.38 1mdv h TYR 65 Ca -0.48 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.25 1mdv h TYR 65 Cb 1.26 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 1mdv h TYR 65 CO 0.91 0.67 0.13 -0.92 -1.64 0.00 0.00 178.16 177.30 1mdv h TYR 66 N -0.02 0.79 -0.36 -3.82 5.03 -1.91 -3.18 116.97 113.51 1mdv h TYR 66 Ca 0.03 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1mdv h TYR 66 Cb 0.58 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 1mdv h TYR 66 CO 0.07 0.67 0.23 1.25 -1.32 0.00 0.00 178.16 179.06 1mdv h HIS 67 N 0.75 0.46 0.00 -3.82 2.76 -1.81 -2.29 115.15 111.21 1mdv h HIS 67 Ca 0.17 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1mdv h HIS 67 Cb 0.27 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1mdv h HIS 67 CO 0.01 0.31 0.00 1.33 -1.30 0.00 0.00 177.93 178.28 1mdv n VAL 68 N -4.82 0.78 -0.08 5.26 0.24 -1.08 -1.76 118.33 116.87 1mdv n VAL 68 Ca -0.00 0.16 -0.06 0.00 -2.04 0.00 0.00 64.34 62.40 1mdv n VAL 68 Cb 0.04 -0.98 -0.16 0.00 -1.47 0.00 0.00 33.84 31.27 1mdv n VAL 68 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1mdv n MET 69 N -1.93 0.74 -0.05 7.34 2.81 -1.12 -4.37 117.12 120.54 1mdv n MET 69 Ca 0.03 -0.05 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1mdv n MET 69 Cb 0.24 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1mdv n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1mdv n HIS 70 N -2.63 0.00 -2.41 2.03 -0.00 -0.88 -3.55 115.22 107.78 1mdv n HIS 70 Ca -0.26 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.08 1mdv n HIS 70 Cb 1.02 -0.49 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 1mdv n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1mdv s ASP 71 N -4.23 6.70 -0.16 0.41 1.11 -0.72 -4.71 116.67 115.06 1mdv s ASP 71 Ca -0.05 2.22 -0.23 0.00 0.18 0.00 0.00 52.55 54.66 1mdv s ASP 71 Cb 0.03 -2.60 -0.21 0.00 1.07 0.00 0.00 42.92 41.21 1mdv s ASP 71 CO 0.41 -0.54 0.49 0.11 1.18 0.00 0.00 175.17 176.82 1mdv h LYS 72 N 2.72 0.00 -5.85 8.23 1.57 -1.96 -3.41 116.57 117.87 1mdv h LYS 72 Ca -0.48 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.91 1mdv h LYS 72 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 1mdv h LYS 72 CO 0.63 0.87 0.98 1.21 -0.57 0.00 0.00 179.45 182.57 1mdv s ASN 73 N -6.34 5.49 0.13 0.86 3.84 -1.26 -4.88 114.94 112.79 1mdv s ASN 73 Ca -0.20 -0.73 -0.06 0.00 0.21 0.00 0.00 52.86 52.07 1mdv s ASN 73 Cb 0.00 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 1mdv s ASN 73 CO 0.58 -2.40 0.18 0.42 -2.79 0.00 0.00 177.10 173.09 1mdv s THR 74 N 8.69 0.10 0.00 -5.21 -4.23 -1.26 -5.07 115.64 108.66 1mdv s THR 74 Ca 0.63 -1.53 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 1mdv s THR 74 Cb -0.06 -1.78 -0.18 0.00 1.34 0.00 0.00 72.50 71.82 1mdv s THR 74 CO 0.00 -0.46 1.25 0.50 -0.54 0.00 0.00 174.62 175.37 1mdv h LYS 75 N 2.72 0.22 -6.15 3.99 3.64 -2.00 -3.46 116.57 115.53 1mdv h LYS 75 Ca -0.33 -0.14 -0.53 0.00 -1.27 0.00 0.00 60.65 58.38 1mdv h LYS 75 Cb 1.21 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1mdv h LYS 75 CO 0.54 0.71 -0.30 -0.06 -2.27 0.00 0.00 179.45 178.08 1mdv s PHE 76 N -4.02 2.01 0.34 1.91 0.08 -1.26 -5.10 117.98 111.93 1mdv s PHE 76 Ca -0.15 -0.68 -0.26 0.00 0.12 0.00 0.00 56.93 55.95 1mdv s PHE 76 Cb 0.03 -2.07 -0.09 0.00 -0.57 0.00 0.00 43.02 40.32 1mdv s PHE 76 CO 0.73 -0.46 1.05 0.15 -0.10 0.00 0.00 175.22 176.59 1mdv s LYS 77 N -4.29 4.42 0.35 0.44 1.02 -1.26 -5.07 119.74 115.35 1mdv s LYS 77 Ca 0.44 1.59 0.09 0.00 0.02 0.00 0.00 55.97 58.11 1mdv s LYS 77 Cb -0.03 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1mdv s LYS 77 CO 0.27 0.07 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.18 1mdv s SER 78 N -1.31 3.88 0.15 2.83 1.04 -1.26 -4.95 113.70 114.09 1mdv s SER 78 Ca 0.51 -1.15 -0.23 0.00 0.48 0.00 0.00 55.95 55.57 1mdv s SER 78 Cb -0.25 -0.41 0.04 0.00 0.10 0.00 0.00 66.02 65.50 1mdv s SER 78 CO 0.32 -0.23 1.61 0.00 0.98 0.00 0.00 173.24 175.92 1mdv h VAL 80 N -0.27 1.27 -0.06 0.00 2.07 -1.84 -2.80 116.25 114.62 1mdv h VAL 80 Ca 0.15 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1mdv h VAL 80 Cb 0.50 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1mdv h VAL 80 CO -0.44 0.47 -0.20 1.23 0.02 0.00 0.00 177.57 178.65 1mdv h GLY 81 N 0.90 -0.23 1.45 2.17 0.00 -1.61 -2.41 103.07 103.33 1mdv h GLY 81 Ca 0.11 0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 1mdv h GLY 81 CO 0.06 -0.18 -0.56 0.00 0.00 0.00 0.00 176.54 175.86 1mdv h HIS 83 N 0.44 0.00 -0.07 0.00 3.86 -1.29 -1.76 115.15 116.33 1mdv h HIS 83 Ca 0.01 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1mdv h HIS 83 Cb 1.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.60 1mdv h HIS 83 CO 0.05 0.00 -0.91 0.28 0.86 0.00 0.00 177.93 178.20 1mdv h VAL 84 N 0.00 1.28 0.16 2.45 2.07 -1.25 -2.36 116.25 118.60 1mdv h VAL 84 Ca 0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1mdv h VAL 84 Cb 0.14 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1mdv h VAL 84 CO 0.00 0.66 -0.07 -0.33 0.02 0.00 0.00 177.57 177.85 1mdv h GLU 85 N 0.45 -0.20 -0.82 1.57 4.39 -1.45 -0.09 114.58 118.43 1mdv h GLU 85 Ca -0.09 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.81 1mdv h GLU 85 Cb 1.55 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 30.14 1mdv h GLU 85 CO 0.18 0.20 0.30 0.28 -1.16 0.00 0.00 179.01 178.80 1mdv h VAL 86 N -0.67 0.52 -0.01 3.13 2.07 -1.43 0.37 116.25 120.23 1mdv h VAL 86 Ca -0.02 -0.12 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 1mdv h VAL 86 Cb 0.49 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1mdv h VAL 86 CO 0.04 0.07 -0.91 0.00 0.02 0.00 0.00 177.57 176.78 1mdv h ALA 87 N 1.65 0.40 -0.30 1.67 0.00 -1.42 -3.48 119.26 117.78 1mdv h ALA 87 Ca 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1mdv h ALA 87 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1mdv h ALA 87 CO -0.50 0.81 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1mdv n GLY 88 N 0.89 1.69 0.00 0.00 0.00 0.12 -2.38 105.19 105.50 1mdv n GLY 88 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1mdv n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdv n ALA 89 N 2.33 0.00 -1.67 4.61 0.00 -1.26 -4.87 120.51 119.64 1mdv n ALA 89 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1mdv n ALA 89 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1mdv n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mdv n ASP 90 N 0.00 3.10 0.13 0.00 2.03 -1.00 -4.89 116.55 115.91 1mdv n ASP 90 Ca 0.00 1.09 -0.15 0.00 0.52 0.00 0.00 54.79 56.25 1mdv n ASP 90 Cb 0.21 -1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 39.09 1mdv n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mdv h ALA 91 N 5.81 -0.98 -0.80 -1.67 0.00 -1.98 -1.42 119.26 118.23 1mdv h ALA 91 Ca -0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1mdv h ALA 91 Cb 1.25 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 1mdv h ALA 91 CO 0.88 -1.08 0.38 0.00 0.00 0.00 0.00 179.25 179.43 1mdv h ALA 92 N -0.72 1.17 0.14 0.00 0.00 -1.98 -2.51 119.26 115.35 1mdv h ALA 92 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mdv h ALA 92 Cb 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mdv h ALA 92 CO -0.22 0.63 -0.07 0.87 0.00 0.00 0.00 179.25 180.46 1mdv h LYS 93 N 1.13 -0.18 0.00 0.00 1.79 -1.87 -1.04 116.57 116.40 1mdv h LYS 93 Ca 0.27 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1mdv h LYS 93 Cb 0.12 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1mdv h LYS 93 CO -0.03 -0.01 0.00 0.36 -1.08 0.00 0.00 179.45 178.69 1mdv n LYS 94 N -5.11 0.39 -0.06 3.15 2.85 -0.55 -0.75 118.16 118.08 1mdv n LYS 94 Ca -0.09 0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.13 1mdv n LYS 94 Cb 0.15 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.88 1mdv n LYS 94 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1mdv n LYS 95 N -1.22 0.67 0.00 -1.58 4.81 -0.95 -3.64 118.16 116.25 1mdv n LYS 95 Ca 0.12 0.15 0.11 0.00 -0.87 0.00 0.00 58.31 57.81 1mdv n LYS 95 Cb 0.15 -1.64 -0.14 0.00 0.02 0.00 0.00 35.03 33.42 1mdv n LYS 95 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1mdv n ASP 96 N -2.97 0.24 -0.00 3.14 2.03 -0.43 -3.58 116.55 114.97 1mdv n ASP 96 Ca -0.28 -0.12 0.07 0.00 0.52 0.00 0.00 54.79 54.98 1mdv n ASP 96 Cb 1.09 1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 43.07 1mdv n ASP 96 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1mdv n LEU 97 N -2.17 0.49 0.00 -2.67 4.77 0.07 -4.18 117.00 113.31 1mdv n LEU 97 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1mdv n LEU 97 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1mdv n LEU 97 CO 0.45 0.12 0.04 0.35 -1.33 0.00 0.00 177.39 177.02 1mdv n THR 98 N -1.54 0.00 -2.86 -5.08 -2.24 -1.24 -4.93 114.28 96.40 1mdv n THR 98 Ca 0.01 -0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 1mdv n THR 98 Cb 0.27 1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1mdv n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mdv s GLY 99 N -0.22 2.91 0.28 3.38 0.00 -1.24 -4.99 107.32 107.45 1mdv s GLY 99 Ca 0.00 0.47 0.07 0.00 0.00 0.00 0.00 44.72 45.26 1mdv s GLY 99 CO 0.00 0.96 1.64 0.00 0.00 0.00 0.00 173.10 175.70 1mdv h LYS 101 N 0.12 0.05 0.02 0.00 1.57 -1.94 -3.42 116.57 112.98 1mdv h LYS 101 Ca 0.00 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1mdv h LYS 101 Cb 0.97 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.32 1mdv h LYS 101 CO 0.08 1.04 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.51 1mdv h LYS 102 N -0.87 0.14 -3.86 3.15 3.64 -1.85 -3.49 116.57 113.44 1mdv h LYS 102 Ca -0.15 -0.18 -0.40 0.00 -1.27 0.00 0.00 60.65 58.64 1mdv h LYS 102 Cb 1.23 0.06 0.10 0.00 -0.41 0.00 0.00 32.23 33.21 1mdv h LYS 102 CO -0.05 0.98 -0.64 -1.13 -2.27 0.00 0.00 179.45 176.35 1mdv n SER 103 N -4.48 -1.95 -0.80 4.20 3.41 -1.15 -4.90 113.62 107.95 1mdv n SER 103 Ca -0.10 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1mdv n SER 103 Cb 0.54 -0.56 0.27 0.00 -0.26 0.00 0.00 64.21 64.20 1mdv n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mdv n LYS 104 N 0.88 2.03 -0.07 4.33 5.02 -1.26 -4.21 118.16 124.88 1mdv n LYS 104 Ca 0.07 -1.57 -0.09 0.00 -2.02 0.00 0.00 58.31 54.70 1mdv n LYS 104 Cb 0.27 -1.40 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1mdv n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdv n HIS 106 N -4.07 4.73 -0.49 0.00 8.25 -1.26 -4.90 115.22 117.48 1mdv n HIS 106 Ca -0.01 -3.41 0.00 0.00 -0.26 0.00 0.00 57.72 54.04 1mdv n HIS 106 Cb 0.48 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.59 1mdv n HIS 106 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13