#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1www s SER 3 N 0.00 6.20 -0.09 6.43 0.15 -1.26 -5.05 113.70 120.07 1www s SER 3 Ca 0.00 -1.22 0.02 0.00 0.70 0.00 0.00 55.95 55.45 1www s SER 3 Cb 0.00 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 1www s SER 3 CO 0.00 -0.94 -0.16 -2.28 1.20 0.00 0.00 173.24 171.06 1www s HIS 4 N 2.45 2.70 0.53 3.44 5.04 -1.26 -5.01 115.29 123.18 1www s HIS 4 Ca 0.11 -0.53 0.44 0.00 -1.54 0.00 0.00 55.06 53.55 1www s HIS 4 Cb -0.22 -1.73 1.65 0.00 0.04 0.00 0.00 32.58 32.32 1www s HIS 4 CO 0.08 -0.10 1.62 -1.35 -2.34 0.00 0.00 174.74 172.66 1www h PRO 5 N 6.18 0.01 -0.22 2.88 0.10 -2.02 -1.09 132.00 137.83 1www h PRO 5 Ca -0.33 -0.00 -0.01 0.00 0.10 0.00 0.00 66.00 65.76 1www h PRO 5 Cb 1.19 -0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.28 1www h PRO 5 CO 0.52 0.01 0.09 0.97 0.10 0.00 0.00 178.00 179.69 1www h ILE 6 N 0.01 1.09 0.00 4.15 -0.00 -1.95 0.37 117.51 121.18 1www h ILE 6 Ca 0.85 -0.27 0.00 0.00 -0.00 0.00 0.00 64.86 65.45 1www h ILE 6 Cb 3.30 0.82 0.00 0.00 -0.00 0.00 0.00 36.82 40.94 1www h ILE 6 CO -0.09 0.10 0.00 0.49 -0.00 0.00 0.00 178.15 178.66 1www n PHE 7 N -4.45 0.52 -0.05 2.19 3.72 -0.41 -0.74 117.46 118.22 1www n PHE 7 Ca 0.00 0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.57 1www n PHE 7 Cb 0.12 -0.88 -0.05 0.00 -0.94 0.00 0.00 39.48 37.72 1www n PHE 7 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1www n HIS 8 N -2.00 0.00 0.69 1.38 -0.00 -0.55 -4.76 115.22 109.98 1www n HIS 8 Ca 0.01 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.31 1www n HIS 8 Cb 0.11 -0.41 0.20 0.00 -0.12 0.00 0.00 29.99 29.76 1www n HIS 8 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1www n ARG 9 N -2.83 2.36 -2.16 1.57 1.74 0.01 -5.00 116.66 112.35 1www n ARG 9 Ca -0.19 -2.02 -0.27 0.00 -0.77 0.00 0.00 57.85 54.60 1www n ARG 9 Cb 0.70 -1.49 0.14 0.00 -1.02 0.00 0.00 32.46 30.79 1www n ARG 9 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1www s GLY 10 N -1.71 1.75 -0.29 -0.13 0.00 0.08 -4.97 107.32 102.04 1www s GLY 10 Ca 0.34 -1.27 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 1www s GLY 10 CO 0.31 -0.63 0.37 -0.54 0.00 0.00 0.00 173.10 172.61 1www s GLU 11 N -5.55 3.92 0.42 2.90 2.02 -1.26 -5.05 118.70 116.10 1www s GLU 11 Ca 0.69 -0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.70 1www s GLU 11 Cb -0.06 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 1www s GLU 11 CO 0.49 -0.34 0.39 -0.06 0.02 0.00 0.00 175.26 175.76 1www s PHE 12 N 2.07 2.67 0.15 1.61 0.08 -1.26 -5.13 117.98 118.18 1www s PHE 12 Ca 0.14 -0.50 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 1www s PHE 12 Cb -0.16 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1www s PHE 12 CO 0.10 -0.15 0.32 -1.12 -0.10 0.00 0.00 175.22 174.28 1www s SER 13 N -4.15 6.38 0.13 1.36 0.01 -1.26 -4.99 113.70 111.18 1www s SER 13 Ca 0.48 0.34 0.11 0.00 1.31 0.00 0.00 55.95 58.19 1www s SER 13 Cb -0.03 -1.98 -0.13 0.00 0.21 0.00 0.00 66.02 64.09 1www s SER 13 CO 0.28 0.04 1.18 -0.37 0.41 0.00 0.00 173.24 174.77 1www h VAL 14 N 1.73 1.19 -3.65 3.43 -1.51 -1.96 -3.44 116.25 112.04 1www h VAL 14 Ca -0.47 -2.80 -0.44 0.00 -1.23 0.00 0.00 66.70 61.76 1www h VAL 14 Cb 1.18 2.56 -0.32 0.00 -2.13 0.00 0.00 31.29 32.59 1www h VAL 14 CO 0.70 0.68 -0.79 0.00 -1.23 0.00 0.00 177.57 176.94 1www s ASP 16 N 0.46 6.96 0.32 0.00 1.01 -1.26 -4.95 116.67 119.22 1www s ASP 16 Ca -0.07 1.15 0.01 0.00 0.71 0.00 0.00 52.55 54.35 1www s ASP 16 Cb -0.11 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 1www s ASP 16 CO 0.01 0.08 0.05 -1.54 0.21 0.00 0.00 175.17 173.98 1www n SER 17 N 2.85 2.07 -3.67 0.27 3.41 -1.26 -0.36 113.62 116.93 1www n SER 17 Ca -0.06 -2.55 -0.08 0.00 -0.26 0.00 0.00 58.87 55.91 1www n SER 17 Cb 0.51 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 64.86 1www n SER 17 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1www s VAL 18 N -2.46 -0.18 -0.12 -3.33 0.11 -0.66 -4.45 120.40 109.31 1www s VAL 18 Ca 0.07 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1www s VAL 18 Cb 0.00 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1www s VAL 18 CO 0.05 0.03 0.08 -0.44 -3.33 0.00 0.00 175.10 171.49 1www s SER 19 N 1.77 5.88 0.19 3.54 0.01 -1.26 -2.24 113.70 121.60 1www s SER 19 Ca -0.08 0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.43 1www s SER 19 Cb -0.08 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1www s SER 19 CO -0.16 0.37 0.23 0.68 0.41 0.00 0.00 173.24 174.77 1www s VAL 20 N -0.80 0.03 -0.31 3.43 -7.23 0.35 -5.00 120.40 110.88 1www s VAL 20 Ca 0.13 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1www s VAL 20 Cb -0.12 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1www s VAL 20 CO 0.03 -0.14 0.10 0.26 -0.31 0.00 0.00 175.10 175.04 1www s TRP 21 N -4.07 3.17 -0.36 2.82 0.52 -1.26 -1.14 118.94 118.61 1www s TRP 21 Ca 0.28 -0.98 -0.14 0.00 0.02 0.00 0.00 56.10 55.28 1www s TRP 21 Cb 0.05 -2.28 -0.00 0.00 -1.15 0.00 0.00 33.47 30.08 1www s TRP 21 CO 0.07 -0.58 0.31 0.08 0.02 0.00 0.00 176.95 176.84 1www s VAL 22 N 1.51 5.23 0.00 4.03 1.01 0.14 -4.88 120.40 127.43 1www s VAL 22 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1www s VAL 22 Cb -0.18 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1www s VAL 22 CO 0.03 -0.13 0.94 0.61 0.00 0.00 0.00 175.10 176.55 1www n GLY 23 N 5.08 2.48 0.57 4.51 0.00 -1.26 -0.13 105.19 116.43 1www n GLY 23 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1www n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1www n ASP 24 N -0.44 3.21 -4.73 1.61 5.75 -1.26 -4.88 116.55 115.80 1www n ASP 24 Ca 0.00 -3.08 -0.41 0.00 -0.01 0.00 0.00 54.79 51.28 1www n ASP 24 Cb 0.22 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.78 1www n ASP 24 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1www s LYS 25 N -2.87 4.40 0.00 0.11 2.20 -1.26 -4.89 119.74 117.43 1www s LYS 25 Ca 0.38 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1www s LYS 25 Cb 0.32 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1www s LYS 25 CO 0.06 -0.25 0.00 0.25 -0.36 0.00 0.00 175.35 175.05 1www n THR 26 N 2.97 0.00 -4.20 3.43 -2.24 -1.26 -4.77 114.28 108.21 1www n THR 26 Ca 0.07 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1www n THR 26 Cb 0.43 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 1www n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1www s THR 27 N -1.24 0.72 0.05 4.28 -4.23 -1.26 -0.30 115.64 113.66 1www s THR 27 Ca 0.00 -1.96 -0.28 0.00 -1.18 0.00 0.00 61.69 58.27 1www s THR 27 Cb 0.00 -1.84 0.10 0.00 1.34 0.00 0.00 72.50 72.10 1www s THR 27 CO 0.00 -0.73 1.16 0.00 -0.54 0.00 0.00 174.62 174.51 1www s ALA 28 N -3.62 -2.01 -0.09 3.99 0.00 -0.58 -4.82 121.76 114.63 1www s ALA 28 Ca 0.16 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1www s ALA 28 Cb 0.05 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1www s ALA 28 CO -0.01 -1.05 -0.02 0.95 0.00 0.00 0.00 175.76 175.63 1www s THR 29 N -2.76 4.12 0.00 0.00 -4.23 -1.26 0.33 115.64 111.85 1www s THR 29 Ca 0.13 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1www s THR 29 Cb 0.02 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1www s THR 29 CO -0.02 0.59 0.00 -0.90 -0.54 0.00 0.00 174.62 173.75 1www n ASP 30 N 2.33 0.00 0.22 3.99 5.68 0.22 -1.49 116.55 127.51 1www n ASP 30 Ca -0.18 -0.90 0.15 0.00 -0.50 0.00 0.00 54.79 53.35 1www n ASP 30 Cb 0.53 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.02 1www n ASP 30 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1www h ILE 31 N -0.85 0.00 -0.34 2.12 2.10 -1.83 -1.56 117.51 117.16 1www h ILE 31 Ca 0.00 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.37 1www h ILE 31 Cb 0.00 1.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 1www h ILE 31 CO 0.00 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 177.36 1www n LYS 32 N -2.86 1.83 -0.99 2.19 5.02 -1.26 -4.86 118.16 117.24 1www n LYS 32 Ca 0.02 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 1www n LYS 32 Cb 0.35 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1www n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1www n GLY 33 N 1.09 0.37 3.80 0.72 0.00 -0.59 -4.99 105.19 105.60 1www n GLY 33 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1www n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1www s LYS 34 N -0.61 4.40 -0.00 1.61 2.20 -1.26 -4.74 119.74 121.34 1www s LYS 34 Ca 0.00 1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 56.45 1www s LYS 34 Cb 0.00 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1www s LYS 34 CO 0.00 0.25 0.92 -2.00 -0.36 0.00 0.00 175.35 174.16 1www s GLU 35 N -2.29 4.54 0.13 4.03 2.12 -1.26 0.73 118.70 126.70 1www s GLU 35 Ca 0.51 1.31 0.04 0.00 0.36 0.00 0.00 54.97 57.18 1www s GLU 35 Cb -0.16 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1www s GLU 35 CO 0.21 -0.00 -0.09 0.54 -0.54 0.00 0.00 175.26 175.37 1www s VAL 36 N 0.87 1.05 -0.09 3.70 0.11 0.15 -4.90 120.40 121.29 1www s VAL 36 Ca 0.48 -1.98 -0.15 0.00 -2.93 0.00 0.00 61.98 57.40 1www s VAL 36 Cb -0.21 -1.75 -0.05 0.00 -1.53 0.00 0.00 36.38 32.85 1www s VAL 36 CO 0.26 -0.74 0.39 -0.04 -3.33 0.00 0.00 175.10 171.63 1www s MET 37 N -3.63 4.15 -0.25 1.54 -1.94 -1.20 -1.52 119.30 116.45 1www s MET 37 Ca 0.14 0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 54.33 1www s MET 37 Cb 0.02 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 1www s MET 37 CO -0.01 0.37 0.15 0.08 -0.01 0.00 0.00 175.02 175.61 1www s VAL 38 N -0.02 5.20 0.28 -6.03 1.01 0.59 0.77 120.40 122.19 1www s VAL 38 Ca 0.22 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 1www s VAL 38 Cb -0.15 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1www s VAL 38 CO 0.09 0.33 1.30 -0.76 0.00 0.00 0.00 175.10 176.06 1www s LEU 39 N 1.25 4.43 0.47 3.92 1.43 -0.18 -4.57 118.68 125.43 1www s LEU 39 Ca 0.07 2.57 0.26 0.00 -1.03 0.00 0.00 54.13 56.00 1www s LEU 39 Cb -0.14 -3.63 1.07 0.00 0.03 0.00 0.00 46.19 43.51 1www s LEU 39 CO 0.06 -0.51 1.89 1.23 0.23 0.00 0.00 176.35 179.24 1www h GLY 40 N 4.17 0.00 -2.72 -3.19 0.00 -1.89 -3.43 103.07 96.01 1www h GLY 40 Ca -0.47 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.64 1www h GLY 40 CO 0.70 0.00 -0.63 -0.54 0.00 0.00 0.00 176.54 176.07 1www s GLU 41 N -3.72 1.08 0.16 4.80 8.01 -1.26 -1.00 118.70 126.77 1www s GLU 41 Ca 0.00 -1.55 -0.11 0.00 0.01 0.00 0.00 54.97 53.32 1www s GLU 41 Cb 0.10 0.26 0.00 0.00 -4.31 0.00 0.00 34.13 30.18 1www s GLU 41 CO 0.61 -0.33 0.34 0.14 0.01 0.00 0.00 175.26 176.03 1www s VAL 42 N -4.11 0.06 -0.17 2.63 -7.23 -0.99 -4.83 120.40 105.76 1www s VAL 42 Ca 0.33 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 59.24 1www s VAL 42 Cb 0.07 -1.69 0.07 0.00 0.56 0.00 0.00 36.38 35.39 1www s VAL 42 CO 0.08 -0.29 0.39 0.54 -0.31 0.00 0.00 175.10 175.50 1www s ASN 43 N -2.93 -0.34 -0.42 4.85 4.22 -1.26 -0.51 114.94 118.56 1www s ASN 43 Ca 0.13 0.87 -0.17 0.00 -2.14 0.00 0.00 52.86 51.55 1www s ASN 43 Cb 0.02 0.92 0.02 0.00 1.28 0.00 0.00 41.25 43.49 1www s ASN 43 CO -0.02 -0.21 0.44 -0.63 -2.04 0.00 0.00 177.10 174.64 1www s ILE 44 N 1.87 5.08 -0.12 0.54 1.01 -1.20 -4.64 121.20 123.74 1www s ILE 44 Ca -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1www s ILE 44 Cb -0.10 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1www s ILE 44 CO -0.12 -0.41 0.03 -0.46 0.00 0.00 0.00 174.94 173.98 1www n ASN 45 N 5.62 -0.09 0.00 3.58 0.23 -1.26 -4.22 115.26 119.12 1www n ASN 45 Ca -0.07 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 1www n ASN 45 Cb 0.47 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1www n ASN 45 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1www n ASN 46 N 0.51 0.04 -4.23 0.53 3.02 -1.26 -5.17 115.26 108.71 1www n ASN 46 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.26 1www n ASN 46 Cb 0.03 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.38 1www n ASN 46 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1www s SER 47 N 2.00 3.28 -0.11 6.41 1.04 -1.26 -4.95 113.70 120.11 1www s SER 47 Ca 0.00 0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1www s SER 47 Cb 0.00 -0.43 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 1www s SER 47 CO 0.00 -2.64 0.13 0.68 0.98 0.00 0.00 173.24 172.39 1www s VAL 48 N -3.85 5.39 -0.31 5.02 -7.23 -1.26 -3.26 120.40 114.90 1www s VAL 48 Ca 0.73 0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.96 1www s VAL 48 Cb -0.05 -3.35 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 1www s VAL 48 CO 0.53 0.61 0.13 -0.36 -0.31 0.00 0.00 175.10 175.70 1www s PHE 49 N -1.03 3.17 0.10 2.82 0.40 0.33 -4.94 117.98 118.83 1www s PHE 49 Ca 0.15 -0.71 -0.31 0.00 -0.60 0.00 0.00 56.93 55.46 1www s PHE 49 Cb -0.12 -2.33 -0.08 0.00 0.51 0.00 0.00 43.02 41.00 1www s PHE 49 CO 0.04 -0.50 1.55 0.21 0.70 0.00 0.00 175.22 177.22 1www s LYS 50 N 1.58 4.24 -0.21 0.44 2.47 -1.26 -2.35 119.74 124.65 1www s LYS 50 Ca 0.04 2.24 -0.29 0.00 -1.56 0.00 0.00 55.97 56.40 1www s LYS 50 Cb -0.17 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 1www s LYS 50 CO 0.05 -0.62 1.76 -1.14 0.16 0.00 0.00 175.35 175.56 1www s GLN 51 N 1.90 3.69 0.13 4.03 0.74 -0.17 -4.96 119.66 125.01 1www s GLN 51 Ca 0.70 1.79 0.11 0.00 0.05 0.00 0.00 55.36 58.00 1www s GLN 51 Cb -0.39 -4.12 -0.04 0.00 1.10 0.00 0.00 33.01 29.56 1www s GLN 51 CO 0.31 -1.44 -0.27 0.71 -0.55 0.00 0.00 175.29 174.05 1www s TYR 52 N 5.75 2.31 -0.02 1.67 2.02 -1.26 -4.56 117.35 123.26 1www s TYR 52 Ca 0.78 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 1www s TYR 52 Cb -0.28 -1.24 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1www s TYR 52 CO 0.32 0.35 -0.12 -0.06 -1.57 0.00 0.00 175.55 174.46 1www s PHE 53 N -1.09 1.17 -0.38 2.71 0.08 0.81 -4.95 117.98 116.33 1www s PHE 53 Ca 0.14 -0.25 -0.22 0.00 0.12 0.00 0.00 56.93 56.72 1www s PHE 53 Cb -0.10 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1www s PHE 53 CO 0.06 -0.06 0.72 0.12 -0.10 0.00 0.00 175.22 175.97 1www s PHE 54 N -0.13 3.10 0.03 0.36 5.36 -1.26 0.24 117.98 125.68 1www s PHE 54 Ca 0.02 0.38 0.08 0.00 -0.96 0.00 0.00 56.93 56.45 1www s PHE 54 Cb -0.07 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1www s PHE 54 CO 0.00 -0.74 -0.24 -1.21 -1.46 0.00 0.00 175.22 171.57 1www s GLU 55 N 2.98 1.71 -0.08 10.12 2.02 -0.29 -4.88 118.70 130.27 1www s GLU 55 Ca 0.28 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1www s GLU 55 Cb -0.13 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.32 1www s GLU 55 CO 0.17 0.47 -0.07 0.99 0.02 0.00 0.00 175.26 176.85 1www s THR 56 N -0.73 0.84 0.38 3.63 2.01 -1.16 -0.50 115.64 120.12 1www s THR 56 Ca 0.10 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1www s THR 56 Cb -0.09 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1www s THR 56 CO 0.01 0.32 0.14 -1.59 -0.69 0.00 0.00 174.62 172.81 1www s LYS 57 N 1.34 1.85 0.18 4.92 -2.85 -0.95 -1.52 119.74 122.71 1www s LYS 57 Ca -0.03 -2.11 -0.30 0.00 -1.00 0.00 0.00 55.97 52.53 1www s LYS 57 Cb -0.14 -0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 35.09 1www s LYS 57 CO -0.03 -0.48 1.29 0.00 0.10 0.00 0.00 175.35 176.23 1www s ARG 59 N 0.09 4.59 0.00 0.00 3.52 0.51 -4.77 118.95 122.90 1www s ARG 59 Ca 0.57 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 1www s ARG 59 Cb -0.35 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1www s ARG 59 CO 0.36 0.02 0.00 -3.47 -0.81 0.00 0.00 175.30 171.40 1www n ASP 60 N 3.54 0.00 -2.55 -2.12 -0.08 -1.26 -4.79 116.55 109.30 1www n ASP 60 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1www n ASP 60 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1www n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1www n GLY 67 N 0.00 -1.72 3.93 0.27 0.00 -1.26 -5.14 105.19 101.27 1www n GLY 67 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1www n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1www s ARG 69 N -4.71 4.53 -1.37 0.00 3.52 -0.02 -3.79 118.95 117.11 1www s ARG 69 Ca 0.49 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 1www s ARG 69 Cb -0.10 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1www s ARG 69 CO 0.41 0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 1www n GLY 70 N 0.97 1.29 3.80 8.12 0.00 -1.26 -4.65 105.19 113.46 1www n GLY 70 Ca 0.01 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1www n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1www s ILE 71 N -2.49 4.62 -1.00 -0.61 -1.09 -1.25 -4.98 121.20 114.39 1www s ILE 71 Ca 0.00 1.39 -0.23 0.00 -2.23 0.00 0.00 60.65 59.57 1www s ILE 71 Cb 0.00 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1www s ILE 71 CO 0.00 0.54 1.59 -0.62 -1.23 0.00 0.00 174.94 175.22 1www s ASP 72 N -1.09 6.15 0.00 3.58 2.15 -1.26 -4.82 116.67 121.38 1www s ASP 72 Ca 0.31 -1.29 0.03 0.00 0.43 0.00 0.00 52.55 52.03 1www s ASP 72 Cb -0.21 -2.57 0.16 0.00 -0.30 0.00 0.00 42.92 40.01 1www s ASP 72 CO 0.21 -1.83 0.71 -1.20 -0.17 0.00 0.00 175.17 172.89 1www n SER 73 N 10.24 0.00 0.08 -0.34 7.64 -1.26 -2.26 113.62 127.72 1www n SER 73 Ca 0.36 -0.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.22 1www n SER 73 Cb 0.50 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1www n SER 73 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1www h LYS 74 N 0.00 0.00 0.00 1.43 3.64 -2.03 -3.38 116.57 116.24 1www h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1www h LYS 74 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1www h LYS 74 CO 0.00 0.51 -0.21 0.72 -2.27 0.00 0.00 179.45 178.20 1www n HIS 75 N -3.12 0.00 -4.30 1.91 8.25 -1.03 -4.90 115.22 112.03 1www n HIS 75 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 1www n HIS 75 Cb 0.82 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.79 1www n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1www s TRP 76 N -1.15 0.78 0.39 4.41 0.52 -0.96 -1.74 118.94 121.19 1www s TRP 76 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 56.10 55.96 1www s TRP 76 Cb 0.00 -0.49 -0.01 0.00 -1.15 0.00 0.00 33.47 31.82 1www s TRP 76 CO 0.00 -0.01 0.57 -0.80 0.02 0.00 0.00 176.95 176.73 1www s ASN 77 N -0.41 5.94 0.03 2.95 0.01 0.16 -4.34 114.94 119.27 1www s ASN 77 Ca 0.02 0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 52.00 1www s ASN 77 Cb -0.04 -1.47 0.10 0.00 0.41 0.00 0.00 41.25 40.24 1www s ASN 77 CO -0.00 -0.55 0.85 -0.94 -1.51 0.00 0.00 177.10 174.96 1www s SER 78 N -4.18 -0.38 0.08 -1.22 1.04 -1.26 -2.43 113.70 105.35 1www s SER 78 Ca 0.46 -0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.61 1www s SER 78 Cb -0.10 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.51 1www s SER 78 CO 0.35 -0.69 0.61 -0.72 0.98 0.00 0.00 173.24 173.77 1www s TYR 79 N -3.22 -0.55 0.02 5.02 1.13 -0.86 -4.13 117.35 114.77 1www s TYR 79 Ca 0.05 0.59 -0.04 0.00 -1.41 0.00 0.00 57.07 56.26 1www s TYR 79 Cb -0.01 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1www s TYR 79 CO -0.09 -0.74 0.25 0.00 -2.51 0.00 0.00 175.55 172.46 1www s THR 81 N -1.37 0.04 -0.09 0.00 -1.32 0.79 -4.94 115.64 108.74 1www s THR 81 Ca 0.30 -0.31 -0.26 0.00 -1.21 0.00 0.00 61.69 60.20 1www s THR 81 Cb -0.13 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1www s THR 81 CO 0.19 -0.17 0.86 -0.89 -2.21 0.00 0.00 174.62 172.40 1www s THR 82 N -1.64 4.91 0.37 5.08 2.01 -1.26 -0.69 115.64 124.42 1www s THR 82 Ca -0.10 1.74 0.08 0.00 0.31 0.00 0.00 61.69 63.71 1www s THR 82 Cb -0.02 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 1www s THR 82 CO 0.04 0.11 0.33 0.42 -0.69 0.00 0.00 174.62 174.83 1www s THR 83 N 1.51 3.18 0.29 -0.82 -4.23 -0.91 -4.97 115.64 109.70 1www s THR 83 Ca 0.43 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1www s THR 83 Cb -0.18 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1www s THR 83 CO 0.18 -0.11 0.02 1.41 -0.54 0.00 0.00 174.62 175.59 1www n HIS 84 N -1.45 0.52 -3.79 3.99 8.25 -1.26 -1.98 115.22 119.50 1www n HIS 84 Ca 0.00 -1.42 -0.10 0.00 -0.26 0.00 0.00 57.72 55.94 1www n HIS 84 Cb 0.60 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1www n HIS 84 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1www s THR 85 N -2.00 0.09 -0.21 1.59 -1.32 -0.80 -4.72 115.64 108.28 1www s THR 85 Ca 0.02 -0.97 -0.06 0.00 -1.21 0.00 0.00 61.69 59.48 1www s THR 85 Cb -0.00 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.57 1www s THR 85 CO 0.01 -0.42 0.02 -0.36 -2.21 0.00 0.00 174.62 171.66 1www s PHE 86 N -3.86 3.06 0.01 9.09 0.08 -1.26 -2.19 117.98 122.91 1www s PHE 86 Ca 0.07 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.77 1www s PHE 86 Cb 0.03 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1www s PHE 86 CO -0.09 -0.22 -0.16 0.08 -0.10 0.00 0.00 175.22 174.73 1www s VAL 87 N 1.05 1.28 0.60 -0.44 1.01 -0.57 -4.89 120.40 118.44 1www s VAL 87 Ca 0.02 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1www s VAL 87 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1www s VAL 87 CO 0.02 0.26 1.14 -0.75 0.00 0.00 0.00 175.10 175.77 1www s LYS 88 N -0.65 3.02 -0.11 2.72 2.47 -1.26 0.26 119.74 126.19 1www s LYS 88 Ca 0.05 1.59 -0.30 0.00 -1.56 0.00 0.00 55.97 55.76 1www s LYS 88 Cb -0.07 -1.96 0.11 0.00 -1.46 0.00 0.00 37.83 34.45 1www s LYS 88 CO 0.00 -1.11 0.89 0.00 0.16 0.00 0.00 175.35 175.29 1www s ALA 89 N -1.93 -1.87 -0.38 3.13 0.00 0.60 -4.80 121.76 116.51 1www s ALA 89 Ca 0.72 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.83 1www s ALA 89 Cb -0.24 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1www s ALA 89 CO 0.34 -0.37 1.09 -1.17 0.00 0.00 0.00 175.76 175.65 1www s LEU 90 N -1.30 3.83 0.28 0.00 2.96 -1.26 -0.94 118.68 122.26 1www s LEU 90 Ca -0.04 0.83 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 1www s LEU 90 Cb -0.00 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 1www s LEU 90 CO 0.03 -1.01 -0.03 0.42 -1.32 0.00 0.00 176.35 174.44 1www s THR 91 N 3.92 1.47 -0.50 3.68 -4.23 0.39 -1.01 115.64 119.36 1www s THR 91 Ca 0.46 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1www s THR 91 Cb -0.10 -2.50 0.13 0.00 1.34 0.00 0.00 72.50 71.36 1www s THR 91 CO 0.21 -0.25 0.30 -0.32 -0.54 0.00 0.00 174.62 174.02 1www s MET 92 N -3.78 2.21 0.00 3.99 1.75 0.23 -0.26 119.30 123.44 1www s MET 92 Ca 0.31 -2.12 0.00 0.00 -1.25 0.00 0.00 55.69 52.62 1www s MET 92 Cb 0.05 -3.63 0.00 0.00 2.84 0.00 0.00 34.83 34.09 1www s MET 92 CO 0.12 -1.11 0.24 -0.40 -0.65 0.00 0.00 175.02 173.22 1www n ASP 93 N 4.11 0.00 0.00 1.11 5.68 -0.91 -3.23 116.55 123.32 1www n ASP 93 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1www n ASP 93 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1www n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1www n GLY 94 N -0.70 0.82 2.02 6.12 0.00 -1.26 -4.80 105.19 107.39 1www n GLY 94 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1www n GLY 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1www n LYS 95 N -2.32 0.00 -4.05 1.61 5.02 -1.26 -5.17 118.16 111.99 1www n LYS 95 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1www n LYS 95 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1www n LYS 95 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1www s GLN 96 N -2.00 0.80 0.00 1.97 2.00 -1.26 -5.14 119.66 116.03 1www s GLN 96 Ca 0.00 -1.23 -0.30 0.00 -2.00 0.00 0.00 55.36 51.83 1www s GLN 96 Cb 0.00 0.26 -0.05 0.00 0.80 0.00 0.00 33.01 34.02 1www s GLN 96 CO 0.00 -0.22 1.31 0.00 -0.50 0.00 0.00 175.29 175.88 1www s ALA 97 N -3.95 3.53 -0.01 1.58 0.00 -1.26 -2.14 121.76 119.51 1www s ALA 97 Ca 0.13 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 1www s ALA 97 Cb 0.07 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1www s ALA 97 CO -0.06 -0.78 0.38 0.00 0.00 0.00 0.00 175.76 175.30 1www s ALA 98 N 2.05 -0.95 -0.53 0.00 0.00 0.64 -4.98 121.76 118.00 1www s ALA 98 Ca 0.61 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 1www s ALA 98 Cb -0.29 0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1www s ALA 98 CO 0.26 -0.31 1.14 -0.46 0.00 0.00 0.00 175.76 176.38 1www s TRP 99 N -1.55 2.73 0.06 0.00 -0.00 -1.26 -0.46 118.94 118.46 1www s TRP 99 Ca -0.12 0.52 0.02 0.00 -0.00 0.00 0.00 56.10 56.52 1www s TRP 99 Cb -0.04 -4.42 -0.03 0.00 -0.00 0.00 0.00 33.47 28.98 1www s TRP 99 CO 0.04 -1.41 -0.08 1.03 -0.00 0.00 0.00 176.95 176.53 1www s ARG 100 N 4.60 0.63 -0.27 5.86 1.81 -0.11 -4.89 118.95 126.58 1www s ARG 100 Ca 0.44 -0.94 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 1www s ARG 100 Cb -0.08 -0.29 0.01 0.00 -0.45 0.00 0.00 34.95 34.14 1www s ARG 100 CO 0.28 0.04 1.09 -0.06 -0.68 0.00 0.00 175.30 175.97 1www s PHE 101 N -2.03 3.17 0.19 -0.53 0.08 -1.26 -0.29 117.98 117.31 1www s PHE 101 Ca -0.03 1.26 0.08 0.00 0.12 0.00 0.00 56.93 58.36 1www s PHE 101 Cb -0.06 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.82 1www s PHE 101 CO -0.01 -0.79 -0.01 0.96 -0.10 0.00 0.00 175.22 175.27 1www s ILE 102 N 3.52 3.63 -0.19 0.64 -4.36 0.14 -2.70 121.20 121.88 1www s ILE 102 Ca 0.46 -1.54 -0.22 0.00 -0.26 0.00 0.00 60.65 59.09 1www s ILE 102 Cb -0.14 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1www s ILE 102 CO 0.12 -0.16 0.70 -0.60 0.24 0.00 0.00 174.94 175.24 1www s ARG 103 N -3.08 4.23 0.08 0.37 3.52 -0.55 -1.51 118.95 122.02 1www s ARG 103 Ca 0.28 0.75 0.04 0.00 -0.13 0.00 0.00 55.73 56.66 1www s ARG 103 Cb -0.09 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1www s ARG 103 CO 0.19 -0.28 -0.11 0.96 -0.81 0.00 0.00 175.30 175.25 1www s ILE 104 N 2.03 0.93 0.40 4.11 -4.36 -0.93 -4.56 121.20 118.83 1www s ILE 104 Ca 0.32 -1.49 -0.27 0.00 -0.26 0.00 0.00 60.65 58.95 1www s ILE 104 Cb -0.16 -1.19 -0.10 0.00 1.25 0.00 0.00 42.46 42.26 1www s ILE 104 CO 0.11 -0.46 1.42 -1.81 0.24 0.00 0.00 174.94 174.44 1www s ASP 105 N -2.17 6.20 0.00 4.36 1.01 -1.26 -1.90 116.67 122.92 1www s ASP 105 Ca 0.02 2.91 0.00 0.00 0.71 0.00 0.00 52.55 56.19 1www s ASP 105 Cb -0.05 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1www s ASP 105 CO 0.01 -0.95 0.00 1.07 0.21 0.00 0.00 175.17 175.50 1www n THR 106 N 0.20 0.00 -3.83 -1.27 5.66 -0.72 -2.97 114.28 111.36 1www n THR 106 Ca 0.03 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.01 1www n THR 106 Cb 0.41 0.83 0.01 0.00 -1.55 0.00 0.00 70.33 70.03 1www n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1www s ALA 107 N 0.00 -1.80 -0.13 1.79 0.00 -0.58 -4.50 121.76 116.55 1www s ALA 107 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1www s ALA 107 Cb 0.00 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1www s ALA 107 CO 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 175.76 174.71 1www s VAL 109 N 1.93 2.30 -0.12 0.00 -7.23 0.14 -4.76 120.40 112.65 1www s VAL 109 Ca 0.02 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 1www s VAL 109 Cb -0.14 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 1www s VAL 109 CO -0.07 -0.14 0.29 0.00 -0.31 0.00 0.00 175.10 174.87 1www s VAL 111 N -0.10 3.56 0.09 0.00 1.01 0.17 -4.96 120.40 120.16 1www s VAL 111 Ca 0.18 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1www s VAL 111 Cb -0.14 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1www s VAL 111 CO 0.06 0.44 0.37 -0.76 0.00 0.00 0.00 175.10 175.21 1www s LEU 112 N 1.14 4.32 -0.20 3.92 1.02 -1.26 -2.02 118.68 125.60 1www s LEU 112 Ca 0.02 0.68 -0.09 0.00 0.02 0.00 0.00 54.13 54.76 1www s LEU 112 Cb -0.15 -3.05 0.08 0.00 0.02 0.00 0.00 46.19 43.09 1www s LEU 112 CO -0.00 0.14 0.46 -0.55 0.02 0.00 0.00 176.35 176.42 1www s SER 113 N -1.99 -0.50 0.77 2.29 0.15 -1.02 -4.98 113.70 108.42 1www s SER 113 Ca 0.35 1.04 -0.14 0.00 0.70 0.00 0.00 55.95 57.90 1www s SER 113 Cb -0.13 1.16 0.06 0.00 -1.71 0.00 0.00 66.02 65.40 1www s SER 113 CO 0.20 -0.22 1.22 -0.13 1.20 0.00 0.00 173.24 175.52 1www s ARG 114 N 1.99 1.85 0.00 5.44 0.52 -1.26 0.36 118.95 127.85 1www s ARG 114 Ca -0.06 1.82 0.13 0.00 -0.52 0.00 0.00 55.73 57.09 1www s ARG 114 Cb -0.10 -1.79 0.10 0.00 0.52 0.00 0.00 34.95 33.68 1www s ARG 114 CO -0.14 -2.07 0.90 1.63 0.02 0.00 0.00 175.30 175.64