#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptv h SER 5 N 0.00 0.00 -3.62 1.61 0.02 -2.07 -3.41 113.55 106.08 2ptv h SER 5 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2ptv h SER 5 Cb 0.00 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.22 2ptv h SER 5 CO 0.00 0.13 -0.75 -0.63 -1.14 0.00 0.00 176.83 174.45 2ptv s ILE 6 N -3.94 0.22 0.65 3.27 1.01 -1.26 -5.11 121.20 116.05 2ptv s ILE 6 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 2ptv s ILE 6 Cb 0.12 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 2ptv s ILE 6 CO 0.58 0.12 1.26 -2.16 0.00 0.00 0.00 174.94 174.75 2ptv s PRO 7 N 0.60 2.54 0.03 2.79 0.04 -1.26 -4.79 135.00 134.94 2ptv s PRO 7 Ca -0.06 1.97 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2ptv s PRO 7 Cb -0.09 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2ptv s PRO 7 CO -0.01 -1.58 -0.12 0.16 0.04 0.00 0.00 177.00 175.49 2ptv s ASP 8 N -1.53 1.38 0.00 6.66 -4.77 -1.26 -0.96 116.67 116.19 2ptv s ASP 8 Ca 0.80 -0.39 0.00 0.00 -3.30 0.00 0.00 52.55 49.67 2ptv s ASP 8 Cb -0.35 -0.09 -0.00 0.00 -1.09 0.00 0.00 42.92 41.39 2ptv s ASP 8 CO 0.40 0.02 -0.01 -0.51 0.70 0.00 0.00 175.17 175.76 2ptv s ILE 9 N -0.75 0.07 0.02 2.11 2.07 -0.46 -4.93 121.20 119.33 2ptv s ILE 9 Ca 0.00 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 2ptv s ILE 9 Cb -0.07 -0.09 -0.04 0.00 0.13 0.00 0.00 42.46 42.39 2ptv s ILE 9 CO 0.01 -0.08 0.11 0.20 -1.91 0.00 0.00 174.94 173.27 2ptv s ASN 10 N -0.27 5.80 0.01 4.50 0.01 -1.26 -1.42 114.94 122.31 2ptv s ASN 10 Ca -0.03 0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.21 2ptv s ASN 10 Cb -0.02 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 39.96 2ptv s ASN 10 CO -0.00 0.24 0.13 0.00 -1.51 0.00 0.00 177.10 175.96 2ptv s ALA 11 N -1.28 -0.30 0.14 0.60 0.00 0.07 -4.95 121.76 116.04 2ptv s ALA 11 Ca 0.26 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 2ptv s ALA 11 Cb -0.12 0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2ptv s ALA 11 CO 0.17 -0.21 0.65 0.71 0.00 0.00 0.00 175.76 177.09 2ptv s TYR 12 N -1.43 3.76 0.25 0.00 2.02 -1.26 -0.48 117.35 120.20 2ptv s TYR 12 Ca -0.15 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.60 2ptv s TYR 12 Cb -0.08 -2.57 -0.14 0.00 -0.40 0.00 0.00 41.96 38.78 2ptv s TYR 12 CO 0.01 0.48 1.21 2.41 -1.57 0.00 0.00 175.55 178.09 2ptv n THR 13 N 1.28 1.38 -0.46 -0.71 -1.04 0.03 -1.57 114.28 113.20 2ptv n THR 13 Ca -0.06 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2ptv n THR 13 Cb 0.51 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 2ptv n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ptv n GLY 14 N 1.66 1.87 3.98 3.41 0.00 0.13 -4.89 105.19 111.36 2ptv n GLY 14 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2ptv n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ptv s SER 15 N -3.43 4.09 0.00 1.61 1.04 -0.61 -4.47 113.70 111.93 2ptv s SER 15 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2ptv s SER 15 Cb 0.00 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2ptv s SER 15 CO 0.00 -2.05 0.05 0.20 0.98 0.00 0.00 173.24 172.42 2ptv s ASN 16 N -4.78 5.48 0.11 7.02 0.01 -1.26 -0.32 114.94 121.20 2ptv s ASN 16 Ca 0.68 0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.97 2ptv s ASN 16 Cb -0.05 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.05 2ptv s ASN 16 CO 0.46 0.27 -0.13 0.54 -1.51 0.00 0.00 177.10 176.73 2ptv s VAL 17 N -1.17 1.25 -0.11 1.60 0.11 -0.20 -5.00 120.40 116.89 2ptv s VAL 17 Ca 0.22 -1.68 0.03 0.00 -2.93 0.00 0.00 61.98 57.62 2ptv s VAL 17 Cb -0.12 -1.47 -0.00 0.00 -1.53 0.00 0.00 36.38 33.26 2ptv s VAL 17 CO 0.13 -0.43 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.37 2ptv s THR 18 N -2.13 2.32 -0.38 5.04 2.01 -1.26 -1.35 115.64 119.88 2ptv s THR 18 Ca 0.08 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 2ptv s THR 18 Cb -0.05 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.57 2ptv s THR 18 CO 0.02 0.55 0.22 -0.76 -0.69 0.00 0.00 174.62 173.96 2ptv s LEU 19 N 0.40 4.79 -0.12 4.42 1.43 0.37 -4.96 118.68 125.01 2ptv s LEU 19 Ca -0.16 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2ptv s LEU 19 Cb -0.17 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.04 2ptv s LEU 19 CO 0.07 -0.40 -0.01 -0.75 0.23 0.00 0.00 176.35 175.48 2ptv s LYS 20 N 1.56 0.91 -0.12 1.70 2.20 -1.26 -1.17 119.74 123.56 2ptv s LYS 20 Ca 0.02 -0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2ptv s LYS 20 Cb -0.19 -1.46 -0.25 0.00 -1.51 0.00 0.00 37.83 34.42 2ptv s LYS 20 CO 0.07 -0.38 0.36 -0.89 -0.36 0.00 0.00 175.35 174.15 2ptv n ILE 21 N 5.05 1.71 0.00 5.43 5.41 -1.26 -5.10 119.36 130.60 2ptv n ILE 21 Ca -0.09 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 62.98 2ptv n ILE 21 Cb 0.49 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 2ptv n ILE 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2ptv n HIS 22 N -3.35 0.00 -1.73 1.39 8.25 -1.26 -5.16 115.22 113.35 2ptv n HIS 22 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2ptv n HIS 22 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 2ptv n HIS 22 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2ptv n LEU 26 N 0.00 0.00 0.00 2.41 -0.00 -1.26 -5.21 117.00 112.94 2ptv n LEU 26 Ca 0.00 -0.70 0.07 0.00 -0.00 0.00 0.00 56.01 55.38 2ptv n LEU 26 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2ptv n LEU 26 CO 0.00 0.80 -0.10 0.61 -0.00 0.00 0.00 177.39 178.71 2ptv n GLY 27 N 0.00 -1.42 3.77 1.47 0.00 -1.26 -4.75 105.19 103.00 2ptv n GLY 27 Ca 0.00 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 2ptv n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ptv s PRO 28 N -0.85 3.78 0.07 1.61 0.04 -1.26 -5.05 135.00 133.34 2ptv s PRO 28 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2ptv s PRO 28 Cb 0.00 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2ptv s PRO 28 CO 0.00 -0.58 -0.05 1.52 0.04 0.00 0.00 177.00 177.94 2ptv s TYR 29 N -1.43 0.65 -0.15 0.56 -0.85 -1.26 -4.89 117.35 109.97 2ptv s TYR 29 Ca 0.62 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 56.25 2ptv s TYR 29 Cb -0.33 -0.42 -0.23 0.00 0.38 0.00 0.00 41.96 41.36 2ptv s TYR 29 CO 0.40 -0.26 0.23 0.54 -1.52 0.00 0.00 175.55 174.94 2ptv n ARG 30 N 0.25 0.70 -3.71 -3.49 1.74 0.42 -4.61 116.66 107.96 2ptv n ARG 30 Ca -0.15 0.21 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 2ptv n ARG 30 Cb 0.60 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 2ptv n ARG 30 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2ptv s ARG 31 N -2.55 0.60 -0.06 5.56 3.52 -1.11 -0.56 118.95 124.35 2ptv s ARG 31 Ca -0.21 0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 2ptv s ARG 31 Cb 0.07 0.29 -0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2ptv s ARG 31 CO 0.74 -0.10 -0.21 0.42 -0.81 0.00 0.00 175.30 175.34 2ptv s ILE 32 N -0.09 1.75 -0.07 4.11 1.01 -0.19 -0.49 121.20 127.22 2ptv s ILE 32 Ca -0.03 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.79 2ptv s ILE 32 Cb -0.03 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2ptv s ILE 32 CO 0.02 0.49 -0.19 -0.89 0.00 0.00 0.00 174.94 174.37 2ptv s THR 33 N 0.13 1.61 -0.11 2.92 2.01 0.07 -0.71 115.64 121.56 2ptv s THR 33 Ca -0.09 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 2ptv s THR 33 Cb -0.14 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2ptv s THR 33 CO 0.05 0.46 -0.02 0.26 -0.69 0.00 0.00 174.62 174.67 2ptv s TRP 34 N 0.36 3.07 0.11 4.92 0.52 -0.42 -0.62 118.94 126.88 2ptv s TRP 34 Ca -0.13 -0.00 0.06 0.00 0.02 0.00 0.00 56.10 56.04 2ptv s TRP 34 Cb -0.16 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2ptv s TRP 34 CO 0.05 0.27 -0.14 -0.51 0.02 0.00 0.00 176.95 176.64 2ptv s LEU 35 N -0.42 2.38 -0.22 2.99 1.02 0.32 -0.35 118.68 124.39 2ptv s LEU 35 Ca 0.07 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.46 2ptv s LEU 35 Cb -0.12 -0.56 0.03 0.00 0.02 0.00 0.00 46.19 45.56 2ptv s LEU 35 CO 0.02 -0.12 -0.13 -2.28 0.02 0.00 0.00 176.35 173.86 2ptv s HIS 36 N -1.94 2.98 0.00 0.29 5.65 -1.26 -1.02 115.29 119.99 2ptv s HIS 36 Ca 0.07 -1.72 0.00 0.00 0.25 0.00 0.00 55.06 53.66 2ptv s HIS 36 Cb -0.06 -1.97 0.00 0.00 -1.18 0.00 0.00 32.58 29.36 2ptv s HIS 36 CO 0.03 -0.78 0.00 0.25 -0.65 0.00 0.00 174.74 173.59 2ptv n THR 37 N 4.61 0.00 -2.28 0.89 -2.24 -0.51 -4.83 114.28 109.91 2ptv n THR 37 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2ptv n THR 37 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2ptv n THR 37 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2ptv n GLN 40 N 0.00 -5.21 -2.18 -0.78 -0.06 -1.26 -4.80 117.38 103.09 2ptv n GLN 40 Ca 0.00 3.77 -0.40 0.00 -2.00 0.00 0.00 57.00 58.37 2ptv n GLN 40 Cb 0.00 -4.60 -0.02 0.00 -4.06 0.00 0.00 30.24 21.56 2ptv n GLN 40 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2ptv s LYS 41 N -0.65 4.30 -0.16 3.69 1.02 -1.26 -4.36 119.74 122.32 2ptv s LYS 41 Ca 0.00 2.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.97 2ptv s LYS 41 Cb 0.00 -2.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.25 2ptv s LYS 41 CO 0.00 -0.19 -0.27 -0.89 -0.92 0.00 0.00 175.35 173.08 2ptv n ILE 42 N 0.67 1.31 -3.64 2.17 5.41 0.52 -4.66 119.36 121.14 2ptv n ILE 42 Ca 0.01 -0.03 -0.11 0.00 1.00 0.00 0.00 62.75 63.62 2ptv n ILE 42 Cb 0.43 -1.99 -0.05 0.00 -0.71 0.00 0.00 39.64 37.32 2ptv n ILE 42 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2ptv s LEU 43 N -7.43 0.38 -0.01 1.39 0.05 -1.17 -2.38 118.68 109.51 2ptv s LEU 43 Ca -0.26 -0.24 0.01 0.00 0.05 0.00 0.00 54.13 53.69 2ptv s LEU 43 Cb 0.07 1.83 0.01 0.00 -2.05 0.00 0.00 46.19 46.05 2ptv s LEU 43 CO 0.35 -0.81 -0.02 -0.70 -0.55 0.00 0.00 176.35 174.62 2ptv s GLU 44 N -3.51 0.23 -0.10 1.48 2.12 0.03 -1.29 118.70 117.66 2ptv s GLU 44 Ca 0.01 -0.04 -0.00 0.00 0.36 0.00 0.00 54.97 55.30 2ptv s GLU 44 Cb 0.01 -0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.15 2ptv s GLU 44 CO -0.10 -0.00 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.08 2ptv s TYR 45 N 0.26 1.33 -0.24 5.30 5.04 0.12 -0.35 117.35 128.81 2ptv s TYR 45 Ca -0.02 -0.61 -0.16 0.00 -2.44 0.00 0.00 57.07 53.83 2ptv s TYR 45 Cb -0.05 -1.13 -0.04 0.00 0.35 0.00 0.00 41.96 41.10 2ptv s TYR 45 CO -0.01 -0.45 0.42 -0.80 -1.34 0.00 0.00 175.55 173.37 2ptv s ASN 46 N 1.63 6.38 0.26 4.32 0.01 0.10 -1.02 114.94 126.61 2ptv s ASN 46 Ca 0.03 0.44 -0.31 0.00 -0.71 0.00 0.00 52.86 52.31 2ptv s ASN 46 Cb -0.13 -2.24 -0.12 0.00 0.41 0.00 0.00 41.25 39.18 2ptv s ASN 46 CO -0.06 -0.16 1.65 0.00 -1.51 0.00 0.00 177.10 177.01 2ptv n TYR 47 N 5.00 2.82 -2.80 2.20 9.36 0.28 -0.66 117.16 133.36 2ptv n TYR 47 Ca -0.07 0.17 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 2ptv n TYR 47 Cb 0.51 -2.63 -0.00 0.00 -0.63 0.00 0.00 39.34 36.59 2ptv n TYR 47 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2ptv n ASN 48 N 2.84 -3.90 0.00 2.98 4.13 -1.26 -4.85 115.26 115.20 2ptv n ASN 48 Ca 0.11 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2ptv n ASN 48 Cb 0.36 -3.27 0.00 0.00 -1.54 0.00 0.00 39.78 35.33 2ptv n ASN 48 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2ptv n SER 49 N -2.01 0.72 -4.77 6.41 2.88 0.16 -5.14 113.62 111.87 2ptv n SER 49 Ca -0.09 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.06 2ptv n SER 49 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 2ptv n SER 49 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2ptv s THR 50 N 0.23 3.54 -0.12 2.46 -4.23 -1.24 -4.68 115.64 111.61 2ptv s THR 50 Ca 0.00 1.40 0.03 0.00 -1.18 0.00 0.00 61.69 61.94 2ptv s THR 50 Cb 0.00 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 70.01 2ptv s THR 50 CO 0.00 0.22 -0.23 -0.75 -0.54 0.00 0.00 174.62 173.32 2ptv s LYS 51 N -1.87 3.04 -0.05 3.99 2.20 -1.26 -0.72 119.74 125.06 2ptv s LYS 51 Ca 0.50 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2ptv s LYS 51 Cb -0.28 -2.37 -0.00 0.00 -1.51 0.00 0.00 37.83 33.66 2ptv s LYS 51 CO 0.36 0.08 -0.17 0.99 -0.36 0.00 0.00 175.35 176.25 2ptv s THR 52 N 0.59 1.47 -0.16 3.43 2.01 0.52 -4.98 115.64 118.53 2ptv s THR 52 Ca -0.13 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 2ptv s THR 52 Cb -0.17 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 2ptv s THR 52 CO 0.03 0.42 0.00 -0.63 -0.69 0.00 0.00 174.62 173.76 2ptv s ILE 53 N 0.12 4.27 0.36 1.82 1.01 -1.26 -0.78 121.20 126.73 2ptv s ILE 53 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 2ptv s ILE 53 Cb -0.13 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2ptv s ILE 53 CO 0.03 0.50 0.61 -0.36 0.00 0.00 0.00 174.94 175.71 2ptv s PHE 54 N 0.21 3.50 -0.19 3.97 0.08 -1.00 -5.02 117.98 119.53 2ptv s PHE 54 Ca 0.00 0.59 -0.29 0.00 0.12 0.00 0.00 56.93 57.35 2ptv s PHE 54 Cb -0.13 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 2ptv s PHE 54 CO 0.02 0.04 1.86 -2.00 -0.10 0.00 0.00 175.22 175.04 2ptv s GLU 55 N -4.10 3.61 0.21 0.44 2.56 -1.26 -4.51 118.70 115.64 2ptv s GLU 55 Ca 0.43 1.88 -0.22 0.00 0.00 0.00 0.00 54.97 57.06 2ptv s GLU 55 Cb -0.10 -4.17 0.06 0.00 2.00 0.00 0.00 34.13 31.92 2ptv s GLU 55 CO 0.35 -1.54 0.94 -1.54 -0.56 0.00 0.00 175.26 172.92 2ptv s SER 56 N 5.62 -0.10 0.20 -1.70 1.04 -1.26 -5.00 113.70 112.50 2ptv s SER 56 Ca 0.83 -0.62 0.17 0.00 0.48 0.00 0.00 55.95 56.82 2ptv s SER 56 Cb -0.30 0.57 0.82 0.00 0.10 0.00 0.00 66.02 67.21 2ptv s SER 56 CO 0.34 -1.09 1.52 -0.62 0.98 0.00 0.00 173.24 174.37 2ptv n GLU 57 N -0.55 0.11 0.00 4.02 4.71 -1.26 -2.09 120.64 125.58 2ptv n GLU 57 Ca -0.05 0.50 0.11 0.00 -0.01 0.00 0.00 57.16 57.70 2ptv n GLU 57 Cb 0.60 -1.78 -0.07 0.00 -1.01 0.00 0.00 31.44 29.18 2ptv n GLU 57 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2ptv n PHE 58 N -2.01 0.04 -1.64 -0.32 3.72 -1.26 -4.92 117.46 111.08 2ptv n PHE 58 Ca 0.01 0.01 -0.48 0.00 -0.05 0.00 0.00 57.45 56.94 2ptv n PHE 58 Cb 0.10 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.43 2ptv n PHE 58 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2ptv n LYS 59 N -1.68 1.77 -0.31 -1.08 4.81 -0.89 -0.47 118.16 120.33 2ptv n LYS 59 Ca 0.03 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2ptv n LYS 59 Cb 0.38 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.07 2ptv n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ptv n GLY 60 N 3.04 1.77 0.00 3.14 0.00 -1.26 -4.83 105.19 107.05 2ptv n GLY 60 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ptv n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptv n ARG 61 N -2.00 2.24 -4.14 1.61 1.74 0.38 -5.00 116.66 111.48 2ptv n ARG 61 Ca 0.00 -1.30 -0.16 0.00 -0.77 0.00 0.00 57.85 55.62 2ptv n ARG 61 Cb 0.00 -0.98 -0.12 0.00 -1.02 0.00 0.00 32.46 30.34 2ptv n ARG 61 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ptv s VAL 62 N -0.80 0.83 0.13 1.55 -7.23 -1.19 -0.39 120.40 113.29 2ptv s VAL 62 Ca 0.00 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 2ptv s VAL 62 Cb 0.00 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 36.12 2ptv s VAL 62 CO 0.00 -0.25 0.30 -0.72 -0.31 0.00 0.00 175.10 174.12 2ptv s TYR 63 N -1.21 0.09 -0.16 2.82 -0.85 -0.99 -5.00 117.35 112.04 2ptv s TYR 63 Ca -0.05 -0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 56.00 2ptv s TYR 63 Cb -0.09 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2ptv s TYR 63 CO 0.01 -0.66 -0.03 -1.17 -1.52 0.00 0.00 175.55 172.18 2ptv s LEU 64 N -2.87 3.28 -0.41 -3.49 2.96 -1.26 -0.42 118.68 116.47 2ptv s LEU 64 Ca 0.08 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 2ptv s LEU 64 Cb 0.03 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2ptv s LEU 64 CO -0.08 0.16 1.20 -1.61 -1.32 0.00 0.00 176.35 174.70 2ptv s GLU 65 N 0.44 3.79 0.44 1.98 2.02 -0.19 -4.90 118.70 122.28 2ptv s GLU 65 Ca -0.03 0.83 0.23 0.00 0.02 0.00 0.00 54.97 56.01 2ptv s GLU 65 Cb -0.14 -3.89 1.01 0.00 0.10 0.00 0.00 34.13 31.20 2ptv s GLU 65 CO 0.03 -1.29 1.88 0.93 0.02 0.00 0.00 175.26 176.83 2ptv h GLU 66 N 9.29 0.00 0.00 1.61 5.08 -1.95 0.19 114.58 128.79 2ptv h GLU 66 Ca -0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2ptv h GLU 66 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2ptv h GLU 66 CO 1.09 0.24 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.37 2ptv h ASN 67 N 0.00 0.00 0.00 1.42 2.35 -1.98 -3.37 115.58 113.99 2ptv h ASN 67 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ptv h ASN 67 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2ptv h ASN 67 CO 0.03 0.06 0.00 -0.46 -1.65 0.00 0.00 177.43 175.42 2ptv n ASN 68 N -3.14 0.00 0.00 5.81 0.23 -1.07 -4.45 115.26 112.64 2ptv n ASN 68 Ca 0.02 -0.77 0.00 0.00 -0.53 0.00 0.00 54.58 53.30 2ptv n ASN 68 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2ptv n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ptv n GLY 69 N 0.00 1.19 3.77 4.83 0.00 0.63 -4.70 105.19 110.91 2ptv n GLY 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ptv n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptv s ALA 70 N -3.25 3.51 -0.21 4.61 0.00 -1.24 -4.73 121.76 120.43 2ptv s ALA 70 Ca 0.00 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 53.30 2ptv s ALA 70 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2ptv s ALA 70 CO 0.00 -0.90 0.11 -1.17 0.00 0.00 0.00 175.76 173.81 2ptv s LEU 71 N -2.04 3.97 -0.16 0.00 2.96 -0.32 -1.02 118.68 122.07 2ptv s LEU 71 Ca 0.52 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 2ptv s LEU 71 Cb -0.43 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2ptv s LEU 71 CO 0.58 0.11 0.06 -1.00 -1.32 0.00 0.00 176.35 174.79 2ptv s HIS 72 N 0.74 3.28 -0.15 5.38 3.76 0.44 -0.48 115.29 128.27 2ptv s HIS 72 Ca 0.06 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2ptv s HIS 72 Cb -0.13 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.58 2ptv s HIS 72 CO 0.02 0.28 -0.13 0.42 -0.85 0.00 0.00 174.74 174.48 2ptv s ILE 73 N -0.03 1.51 0.16 0.60 1.01 -0.46 -2.33 121.20 121.66 2ptv s ILE 73 Ca 0.06 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 2ptv s ILE 73 Cb -0.12 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2ptv s ILE 73 CO 0.01 0.42 0.33 -0.94 0.00 0.00 0.00 174.94 174.75 2ptv s SER 74 N 1.51 6.38 -0.96 3.58 1.04 0.48 -1.03 113.70 124.69 2ptv s SER 74 Ca 0.04 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 2ptv s SER 74 Cb -0.13 -1.98 -0.01 0.00 0.10 0.00 0.00 66.02 64.00 2ptv s SER 74 CO -0.10 0.03 0.73 -3.20 0.98 0.00 0.00 173.24 171.68 2ptv n ASN 75 N -0.40 -5.89 -4.71 7.02 5.15 -0.81 -4.84 115.26 110.77 2ptv n ASN 75 Ca -0.05 -0.76 -0.43 0.00 -0.60 0.00 0.00 54.58 52.74 2ptv n ASN 75 Cb 0.53 -3.51 -0.03 0.00 -0.53 0.00 0.00 39.78 36.24 2ptv n ASN 75 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ptv n VAL 76 N -3.18 0.31 -4.11 3.44 0.31 0.56 -4.59 118.33 111.06 2ptv n VAL 76 Ca -0.12 -0.08 -0.27 0.00 -0.01 0.00 0.00 64.34 63.86 2ptv n VAL 76 Cb 0.59 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 2ptv n VAL 76 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2ptv s ARG 77 N 0.61 2.76 0.41 5.55 0.52 -1.26 0.19 118.95 127.72 2ptv s ARG 77 Ca 0.73 -0.91 0.17 0.00 -0.52 0.00 0.00 55.73 55.19 2ptv s ARG 77 Cb -0.55 -2.58 1.05 0.00 0.52 0.00 0.00 34.95 33.40 2ptv s ARG 77 CO 0.38 0.49 1.84 0.87 0.02 0.00 0.00 175.30 178.90 2ptv h LYS 78 N 2.60 0.43 0.00 3.54 1.57 -1.95 0.89 116.57 123.65 2ptv h LYS 78 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2ptv h LYS 78 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2ptv h LYS 78 CO 0.62 0.28 0.00 0.39 -0.57 0.00 0.00 179.45 180.17 2ptv n GLU 79 N -4.54 0.06 0.03 3.15 4.71 -1.26 -2.29 120.64 120.51 2ptv n GLU 79 Ca 0.20 0.27 0.10 0.00 -0.01 0.00 0.00 57.16 57.73 2ptv n GLU 79 Cb 0.70 -1.61 0.44 0.00 -1.01 0.00 0.00 31.44 29.96 2ptv n GLU 79 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2ptv n ASP 80 N -1.73 0.16 -4.63 1.62 8.00 0.31 -4.86 116.55 115.41 2ptv n ASP 80 Ca 0.04 0.53 -0.37 0.00 0.71 0.00 0.00 54.79 55.69 2ptv n ASP 80 Cb 0.21 -0.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.82 2ptv n ASP 80 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2ptv n LYS 81 N -1.66 0.80 0.00 -1.24 2.85 -0.97 -4.86 118.16 113.09 2ptv n LYS 81 Ca 0.05 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 2ptv n LYS 81 Cb 0.26 -2.23 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 2ptv n LYS 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ptv n GLY 82 N 1.20 0.77 3.75 2.58 0.00 0.10 -4.94 105.19 108.64 2ptv n GLY 82 Ca 0.14 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2ptv n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ptv s THR 83 N -1.60 5.24 0.06 2.61 2.01 -1.26 -0.52 115.64 122.19 2ptv s THR 83 Ca 0.00 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.71 2ptv s THR 83 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2ptv s THR 83 CO 0.00 0.41 0.00 -0.31 -0.69 0.00 0.00 174.62 174.03 2ptv s TYR 84 N 0.20 3.02 -0.09 4.92 2.02 0.83 -1.42 117.35 126.83 2ptv s TYR 84 Ca 0.20 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.94 2ptv s TYR 84 Cb -0.14 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 2ptv s TYR 84 CO 0.07 0.47 -0.22 0.71 -1.57 0.00 0.00 175.55 175.01 2ptv s TYR 85 N -1.25 2.31 -0.20 2.71 2.02 -0.19 -1.75 117.35 121.02 2ptv s TYR 85 Ca 0.24 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 56.05 2ptv s TYR 85 Cb -0.12 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.91 2ptv s TYR 85 CO 0.16 -0.36 -0.17 1.41 -1.57 0.00 0.00 175.55 175.01 2ptv s MET 86 N 0.34 2.91 -0.19 -0.62 -2.45 0.56 -0.52 119.30 119.33 2ptv s MET 86 Ca -0.16 -0.89 -0.04 0.00 -1.25 0.00 0.00 55.69 53.35 2ptv s MET 86 Cb -0.17 -2.66 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 2ptv s MET 86 CO 0.07 -0.26 -0.02 1.03 1.05 0.00 0.00 175.02 176.89 2ptv s ARG 87 N 1.28 3.56 -0.19 4.11 0.52 0.20 -0.33 118.95 128.11 2ptv s ARG 87 Ca 0.03 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2ptv s ARG 87 Cb -0.14 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.32 2ptv s ARG 87 CO -0.11 0.01 -0.12 0.08 0.02 0.00 0.00 175.30 175.19 2ptv s VAL 88 N 0.98 2.84 -0.36 3.52 1.01 -0.49 -0.75 120.40 127.15 2ptv s VAL 88 Ca 0.01 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2ptv s VAL 88 Cb -0.14 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2ptv s VAL 88 CO 0.01 0.48 0.42 -0.22 0.00 0.00 0.00 175.10 175.79 2ptv s LEU 89 N 1.18 4.48 0.00 3.92 2.96 0.36 -1.28 118.68 130.30 2ptv s LEU 89 Ca 0.02 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2ptv s LEU 89 Cb -0.14 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2ptv s LEU 89 CO -0.04 -0.42 0.00 0.54 -1.32 0.00 0.00 176.35 175.11 2ptv n ARG 90 N 5.52 0.00 0.10 1.98 1.74 -1.26 -0.43 116.66 124.31 2ptv n ARG 90 Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 2ptv n ARG 90 Cb 0.49 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.05 2ptv n ARG 90 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2ptv h GLU 91 N 0.00 0.15 -5.09 5.56 5.08 -1.95 -3.44 114.58 114.88 2ptv h GLU 91 Ca 0.00 -0.11 -0.39 0.00 -1.00 0.00 0.00 59.36 57.86 2ptv h GLU 91 Cb 0.00 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.13 2ptv h GLU 91 CO 0.00 0.74 -0.65 0.95 -1.00 0.00 0.00 179.01 179.05 2ptv s THR 92 N -3.64 1.03 -0.24 1.13 -4.23 -1.26 -5.15 115.64 103.29 2ptv s THR 92 Ca -0.03 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.36 2ptv s THR 92 Cb 0.12 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 2ptv s THR 92 CO 0.79 -0.28 0.12 -0.70 -0.54 0.00 0.00 174.62 174.01 2ptv s GLU 93 N -3.87 3.92 0.17 3.99 2.12 -1.26 -4.41 118.70 119.36 2ptv s GLU 93 Ca 0.30 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.31 2ptv s GLU 93 Cb 0.06 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2ptv s GLU 93 CO 0.09 -0.01 0.28 1.21 -0.54 0.00 0.00 175.26 176.30 2ptv s ASN 94 N 1.21 6.24 -0.09 -1.70 2.47 -0.40 -4.91 114.94 117.76 2ptv s ASN 94 Ca 0.06 0.11 0.02 0.00 0.42 0.00 0.00 52.86 53.47 2ptv s ASN 94 Cb -0.14 -1.85 0.01 0.00 -1.45 0.00 0.00 41.25 37.83 2ptv s ASN 94 CO 0.05 0.03 -0.14 -0.70 -3.72 0.00 0.00 177.10 172.61 2ptv s GLU 95 N -3.38 2.06 0.17 0.43 2.12 -1.26 -1.40 118.70 117.44 2ptv s GLU 95 Ca 0.34 -0.52 0.09 0.00 0.36 0.00 0.00 54.97 55.25 2ptv s GLU 95 Cb -0.10 -1.73 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 2ptv s GLU 95 CO 0.28 -0.02 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.34 2ptv s LEU 96 N 0.85 2.85 0.14 2.70 1.43 0.56 -4.95 118.68 122.26 2ptv s LEU 96 Ca -0.10 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.47 2ptv s LEU 96 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2ptv s LEU 96 CO 0.01 0.12 -0.18 -0.54 0.23 0.00 0.00 176.35 176.00 2ptv s LYS 97 N -2.66 1.17 -0.24 1.70 1.02 -1.26 -0.32 119.74 119.15 2ptv s LYS 97 Ca 0.23 -1.31 -0.23 0.00 0.02 0.00 0.00 55.97 54.68 2ptv s LYS 97 Cb -0.09 -1.22 0.06 0.00 -0.52 0.00 0.00 37.83 36.06 2ptv s LYS 97 CO 0.13 0.25 0.66 -1.50 -0.92 0.00 0.00 175.35 173.98 2ptv s ILE 98 N -1.88 0.00 0.09 2.17 2.07 -0.72 -4.23 121.20 118.70 2ptv s ILE 98 Ca 0.12 -0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.41 2ptv s ILE 98 Cb -0.06 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 2ptv s ILE 98 CO 0.05 -0.00 -0.02 0.42 -1.91 0.00 0.00 174.94 173.48 2ptv s THR 99 N 0.29 3.87 -0.07 4.00 -4.23 -0.13 -0.12 115.64 119.25 2ptv s THR 99 Ca -0.00 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 2ptv s THR 99 Cb -0.04 -2.83 -0.00 0.00 1.34 0.00 0.00 72.50 70.96 2ptv s THR 99 CO 0.01 0.14 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.79 2ptv s LEU 100 N -2.23 2.00 -0.07 4.79 2.96 0.32 -1.36 118.68 125.09 2ptv s LEU 100 Ca 0.24 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2ptv s LEU 100 Cb -0.12 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 2ptv s LEU 100 CO 0.17 0.17 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.51 2ptv s GLU 101 N 0.15 2.70 -0.08 1.98 2.12 -0.51 -0.72 118.70 124.33 2ptv s GLU 101 Ca -0.10 -0.73 0.04 0.00 0.36 0.00 0.00 54.97 54.53 2ptv s GLU 101 Cb -0.15 -2.39 -0.01 0.00 0.26 0.00 0.00 34.13 31.84 2ptv s GLU 101 CO 0.05 0.49 -0.20 0.08 -0.54 0.00 0.00 175.26 175.14 2ptv s VAL 102 N -0.39 2.46 -0.09 3.70 1.01 -1.26 -0.75 120.40 125.08 2ptv s VAL 102 Ca 0.04 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2ptv s VAL 102 Cb -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2ptv s VAL 102 CO 0.02 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.09 2ptv s PHE 103 N -0.03 2.43 -2.00 5.22 0.08 0.36 -4.94 117.98 119.10 2ptv s PHE 103 Ca -0.06 -0.97 0.23 0.00 0.12 0.00 0.00 56.93 56.25 2ptv s PHE 103 Cb -0.15 -1.63 1.39 0.00 -0.57 0.00 0.00 43.02 42.06 2ptv s PHE 103 CO 0.05 -0.39 1.76 -0.25 -0.10 0.00 0.00 175.22 176.28