#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1www n SER 3 N 0.00 2.90 -4.75 -3.46 7.64 -1.26 -4.90 113.62 109.80 1www n SER 3 Ca 0.00 -1.91 -0.41 0.00 1.01 0.00 0.00 58.87 57.56 1www n SER 3 Cb 0.00 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1www n SER 3 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1www s HIS 4 N -1.63 3.16 0.32 1.43 5.04 -1.26 -4.90 115.29 117.45 1www s HIS 4 Ca 0.36 1.25 0.10 0.00 -1.54 0.00 0.00 55.06 55.23 1www s HIS 4 Cb 0.21 -3.66 0.92 0.00 0.04 0.00 0.00 32.58 30.09 1www s HIS 4 CO 0.30 -2.00 1.72 -1.35 -2.34 0.00 0.00 174.74 171.07 1www h PRO 5 N 4.67 0.53 -0.56 2.88 0.11 -2.01 -0.70 132.00 136.91 1www h PRO 5 Ca -0.46 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.76 1www h PRO 5 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1www h PRO 5 CO 0.74 0.35 0.40 0.97 -0.21 0.00 0.00 178.00 180.24 1www h ILE 6 N 0.55 0.76 0.00 4.15 -0.00 -1.92 0.50 117.51 121.55 1www h ILE 6 Ca 0.66 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 65.49 1www h ILE 6 Cb 1.29 0.66 0.00 0.00 -0.00 0.00 0.00 36.82 38.77 1www h ILE 6 CO -0.49 0.02 0.00 0.49 -0.00 0.00 0.00 178.15 178.17 1www n PHE 7 N -4.40 0.00 0.00 2.19 3.72 -0.27 -1.17 117.46 117.53 1www n PHE 7 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1www n PHE 7 Cb 0.57 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.37 0.00 -0.21 1.38 -0.00 0.15 -4.79 115.22 110.37 1www n HIS 8 Ca 0.03 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.31 1www n HIS 8 Cb 0.08 0.00 0.31 0.00 -0.12 0.00 0.00 29.99 30.25 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 -2.72 2.86 -1.87 1.57 1.74 0.30 -4.98 116.66 113.56 1www n ARG 9 Ca 0.00 -2.47 -0.29 0.00 -0.77 0.00 0.00 57.85 54.32 1www n ARG 9 Cb 0.50 -1.63 0.09 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.95 1.59 -0.24 -0.13 0.00 -0.32 -4.94 107.32 102.33 1www s GLY 10 Ca 0.45 -0.61 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 1www s GLY 10 CO 0.28 -0.12 0.49 -0.54 0.00 0.00 0.00 173.10 173.20 1www s GLU 11 N -5.53 4.10 0.26 2.90 2.02 -1.26 -5.06 118.70 116.13 1www s GLU 11 Ca 0.62 0.30 0.07 0.00 0.02 0.00 0.00 54.97 55.98 1www s GLU 11 Cb -0.11 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1www s GLU 11 CO 0.50 -0.26 0.18 -0.06 0.02 0.00 0.00 175.26 175.64 1www s PHE 12 N 2.03 3.04 0.34 1.61 0.08 -1.26 -5.12 117.98 118.70 1www s PHE 12 Ca 0.21 -0.14 -0.13 0.00 0.12 0.00 0.00 56.93 56.99 1www s PHE 12 Cb -0.15 -1.42 -0.08 0.00 -0.57 0.00 0.00 43.02 40.80 1www s PHE 12 CO 0.09 0.50 0.72 -1.12 -0.10 0.00 0.00 175.22 175.31 1www s SER 13 N -3.84 6.67 0.04 1.36 0.01 -1.26 -4.97 113.70 111.71 1www s SER 13 Ca 0.34 1.18 -0.01 0.00 1.31 0.00 0.00 55.95 58.77 1www s SER 13 Cb -0.07 -2.34 -0.26 0.00 0.21 0.00 0.00 66.02 63.55 1www s SER 13 CO 0.25 -0.25 0.98 1.62 0.41 0.00 0.00 173.24 176.25 1www h VAL 14 N 1.67 1.31 -3.68 3.43 3.04 -1.97 -3.45 116.25 116.61 1www h VAL 14 Ca -0.48 -2.96 -0.44 0.00 -1.01 0.00 0.00 66.70 61.82 1www h VAL 14 Cb 1.18 2.80 -0.32 0.00 -2.01 0.00 0.00 31.29 32.94 1www h VAL 14 CO 0.65 0.84 -0.79 0.00 -1.01 0.00 0.00 177.57 177.26 1www s ASP 16 N 0.41 6.93 0.42 0.00 1.01 -1.26 -4.96 116.67 119.22 1www s ASP 16 Ca -0.07 1.11 0.04 0.00 0.71 0.00 0.00 52.55 54.34 1www s ASP 16 Cb -0.11 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1www s ASP 16 CO 0.01 0.14 0.04 -0.94 0.21 0.00 0.00 175.17 174.63 1www s SER 17 N -0.32 3.41 -0.02 0.27 1.04 -1.26 -0.28 113.70 116.53 1www s SER 17 Ca 0.29 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.18 1www s SER 17 Cb -0.18 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1www s SER 17 CO 0.16 -0.69 0.08 0.54 0.98 0.00 0.00 173.24 174.31 1www s VAL 18 N -2.98 0.03 -0.08 5.02 0.11 -0.58 -4.65 120.40 117.25 1www s VAL 18 Ca 0.25 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1www s VAL 18 Cb 0.06 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1www s VAL 18 CO 0.12 -0.13 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.11 1www s SER 19 N -0.38 3.32 0.12 3.54 0.01 -1.26 -1.92 113.70 117.13 1www s SER 19 Ca -0.04 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 1www s SER 19 Cb -0.03 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 1www s SER 19 CO 0.00 0.21 0.16 0.68 0.41 0.00 0.00 173.24 174.71 1www s VAL 20 N 0.03 0.12 -0.22 3.43 -7.23 -0.37 -5.00 120.40 111.15 1www s VAL 20 Ca -0.08 -1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1www s VAL 20 Cb -0.15 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1www s VAL 20 CO 0.05 -0.55 0.41 0.26 -0.31 0.00 0.00 175.10 174.96 1www s TRP 21 N -3.94 3.33 -0.24 2.82 0.52 -1.26 -1.44 118.94 118.73 1www s TRP 21 Ca 0.13 0.57 -0.08 0.00 0.02 0.00 0.00 56.10 56.75 1www s TRP 21 Cb 0.05 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 1www s TRP 21 CO -0.05 -0.09 0.08 0.08 0.02 0.00 0.00 176.95 177.00 1www s VAL 22 N 1.59 4.52 0.00 4.03 1.01 0.11 -4.90 120.40 126.76 1www s VAL 22 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1www s VAL 22 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1www s VAL 22 CO 0.08 0.35 0.42 0.61 0.00 0.00 0.00 175.10 176.56 1www n GLY 23 N 4.67 -0.25 0.91 4.51 0.00 -1.26 -0.19 105.19 113.56 1www n GLY 23 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.07 3.61 -4.69 1.61 5.75 -1.26 -4.90 116.55 116.60 1www n ASP 24 Ca 0.00 -2.43 -0.42 0.00 -0.01 0.00 0.00 54.79 51.92 1www n ASP 24 Cb 0.16 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.79 4.20 -0.09 0.11 2.20 -1.26 -4.89 119.74 118.22 1www s LYS 25 Ca 0.35 2.32 0.04 0.00 -0.36 0.00 0.00 55.97 58.32 1www s LYS 25 Cb 0.24 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1www s LYS 25 CO 0.15 -0.75 -0.03 0.25 -0.36 0.00 0.00 175.35 174.62 1www n THR 26 N 4.82 0.54 -4.39 3.43 -2.24 -1.26 -4.73 114.28 110.44 1www n THR 26 Ca 0.16 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1www n THR 26 Cb 0.41 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.19 1.76 0.16 4.28 -4.23 -1.26 0.12 115.64 114.27 1www s THR 27 Ca -0.08 -2.19 -0.24 0.00 -1.18 0.00 0.00 61.69 58.00 1www s THR 27 Cb 0.03 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.70 1www s THR 27 CO 0.27 -0.45 1.03 0.00 -0.54 0.00 0.00 174.62 174.93 1www s ALA 28 N -2.95 -1.68 -0.06 3.99 0.00 -0.46 -4.81 121.76 115.79 1www s ALA 28 Ca 0.26 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1www s ALA 28 Cb 0.01 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1www s ALA 28 CO 0.10 -1.06 -0.22 0.95 0.00 0.00 0.00 175.76 175.53 1www s THR 29 N -2.62 2.37 0.34 0.00 -4.23 -1.26 0.12 115.64 110.36 1www s THR 29 Ca 0.18 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1www s THR 29 Cb -0.01 -1.89 0.08 0.00 1.34 0.00 0.00 72.50 72.01 1www s THR 29 CO 0.03 0.57 0.47 -0.90 -0.54 0.00 0.00 174.62 174.25 1www n ASP 30 N 2.84 0.10 0.29 3.99 5.68 -0.41 -1.43 116.55 127.62 1www n ASP 30 Ca -0.17 -1.21 0.19 0.00 -0.50 0.00 0.00 54.79 53.10 1www n ASP 30 Cb 0.52 -0.35 0.97 0.00 -1.14 0.00 0.00 41.12 41.12 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 -1.16 0.00 -0.02 2.12 6.09 -1.81 0.11 117.51 122.83 1www h ILE 31 Ca -0.15 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1www h ILE 31 Cb 0.43 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1www h ILE 31 CO 0.11 0.00 -0.08 0.29 -3.07 0.00 0.00 178.15 175.40 1www n LYS 32 N -2.90 1.86 -0.65 2.19 5.02 -1.26 -4.94 118.16 117.49 1www n LYS 32 Ca -0.02 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 1www n LYS 32 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.30 0.72 3.76 0.72 0.00 0.03 -5.04 105.19 106.69 1www n GLY 33 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.35 4.27 -0.23 1.61 2.36 -1.26 -4.75 119.74 121.39 1www s LYS 34 Ca 0.00 0.63 -0.29 0.00 -2.55 0.00 0.00 55.97 53.76 1www s LYS 34 Cb 0.00 -3.34 -0.03 0.00 -1.05 0.00 0.00 37.83 33.41 1www s LYS 34 CO 0.00 0.37 1.69 -2.00 1.55 0.00 0.00 175.35 176.97 1www s GLU 35 N -0.16 3.70 0.32 4.03 2.56 -1.26 -1.28 118.70 126.61 1www s GLU 35 Ca 0.29 1.69 0.10 0.00 0.00 0.00 0.00 54.97 57.04 1www s GLU 35 Cb -0.17 -4.09 -0.06 0.00 2.00 0.00 0.00 34.13 31.81 1www s GLU 35 CO 0.15 -1.41 -0.11 0.14 -0.56 0.00 0.00 175.26 173.47 1www s VAL 36 N 5.60 2.19 -0.02 3.70 -7.23 0.12 -4.96 120.40 119.79 1www s VAL 36 Ca 0.75 -2.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1www s VAL 36 Cb -0.26 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 1www s VAL 36 CO 0.31 -0.27 0.52 -0.32 -0.31 0.00 0.00 175.10 175.03 1www s MET 37 N -3.61 4.22 -0.24 4.82 1.75 -0.90 -1.35 119.30 123.99 1www s MET 37 Ca 0.31 0.60 -0.07 0.00 -1.25 0.00 0.00 55.69 55.28 1www s MET 37 Cb 0.01 -3.32 -0.03 0.00 2.84 0.00 0.00 34.83 34.33 1www s MET 37 CO 0.15 0.43 0.07 0.08 -0.65 0.00 0.00 175.02 175.10 1www s VAL 38 N -0.34 4.32 0.84 10.11 1.01 0.32 0.13 120.40 136.79 1www s VAL 38 Ca 0.28 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1www s VAL 38 Cb -0.17 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.29 1www s VAL 38 CO 0.15 0.35 1.10 -0.76 0.00 0.00 0.00 175.10 175.94 1www s LEU 39 N 1.51 2.44 0.00 3.92 2.01 -0.67 -4.45 118.68 123.44 1www s LEU 39 Ca 0.06 1.37 0.22 0.00 0.01 0.00 0.00 54.13 55.79 1www s LEU 39 Cb -0.15 -3.89 -0.02 0.00 0.01 0.00 0.00 46.19 42.14 1www s LEU 39 CO 0.03 -2.26 1.05 0.61 1.01 0.00 0.00 176.35 176.79 1www n GLY 40 N -1.71 -0.98 3.21 -3.19 0.00 -1.26 -4.69 105.19 96.57 1www n GLY 40 Ca 0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1www n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1www s GLU 41 N -2.96 0.94 -0.03 1.61 2.02 -1.25 -0.00 118.70 119.03 1www s GLU 41 Ca 0.10 -1.23 -0.17 0.00 0.02 0.00 0.00 54.97 53.68 1www s GLU 41 Cb 0.17 0.30 0.03 0.00 0.10 0.00 0.00 34.13 34.73 1www s GLU 41 CO 0.80 -0.29 0.37 0.54 0.02 0.00 0.00 175.26 176.70 1www s VAL 42 N -3.97 0.04 -0.65 2.63 0.11 0.29 -4.77 120.40 114.09 1www s VAL 42 Ca 0.16 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 1www s VAL 42 Cb 0.06 -0.66 0.17 0.00 -1.53 0.00 0.00 36.38 34.42 1www s VAL 42 CO -0.03 -0.20 0.54 0.21 -3.33 0.00 0.00 175.10 172.29 1www s ASN 43 N -1.17 6.06 -0.55 3.54 2.47 -1.26 0.64 114.94 124.67 1www s ASN 43 Ca -0.12 -2.40 -0.18 0.00 0.42 0.00 0.00 52.86 50.58 1www s ASN 43 Cb -0.04 -2.08 0.10 0.00 -1.45 0.00 0.00 41.25 37.78 1www s ASN 43 CO 0.05 -0.60 0.61 -0.63 -3.72 0.00 0.00 177.10 172.80 1www s ILE 44 N 0.63 4.97 -1.12 -5.21 1.09 -0.85 -4.56 121.20 116.15 1www s ILE 44 Ca 0.12 -1.05 -0.14 0.00 -1.10 0.00 0.00 60.65 58.48 1www s ILE 44 Cb -0.19 -4.38 -0.03 0.00 -1.06 0.00 0.00 42.46 36.79 1www s ILE 44 CO -0.04 -0.95 0.84 0.59 -0.10 0.00 0.00 174.94 175.27 1www n ASN 45 N 5.91 -5.52 0.00 3.58 4.13 -1.26 -1.98 115.26 120.13 1www n ASN 45 Ca -0.10 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1www n ASN 45 Cb 0.42 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.56 1www n ASN 45 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1www n ASN 46 N -2.90 0.00 -4.27 6.41 3.02 -1.26 -4.95 115.26 111.30 1www n ASN 46 Ca -0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.07 1www n ASN 46 Cb 0.61 -1.21 -0.12 0.00 -0.61 0.00 0.00 39.78 38.44 1www n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1www s SER 47 N -2.52 5.36 0.03 6.41 0.15 -0.84 -5.06 113.70 117.24 1www s SER 47 Ca 0.00 -1.19 -0.30 0.00 0.70 0.00 0.00 55.95 55.15 1www s SER 47 Cb 0.00 -1.89 -0.07 0.00 -1.71 0.00 0.00 66.02 62.35 1www s SER 47 CO 0.00 -0.35 1.57 -0.69 1.20 0.00 0.00 173.24 174.97 1www s VAL 48 N 1.40 3.30 0.01 4.45 1.01 -1.26 -2.01 120.40 127.31 1www s VAL 48 Ca -0.01 0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1www s VAL 48 Cb -0.20 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1www s VAL 48 CO 0.03 -0.01 -0.26 -0.36 0.00 0.00 0.00 175.10 174.50 1www s PHE 49 N 2.71 2.33 -0.15 5.22 0.08 0.21 -4.92 117.98 123.46 1www s PHE 49 Ca 0.71 -0.43 -0.22 0.00 0.12 0.00 0.00 56.93 57.11 1www s PHE 49 Cb -0.36 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1www s PHE 49 CO 0.30 0.03 0.68 0.21 -0.10 0.00 0.00 175.22 176.34 1www s LYS 50 N -0.89 4.31 -0.21 0.44 2.47 -1.26 0.10 119.74 124.70 1www s LYS 50 Ca 0.11 0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 54.99 1www s LYS 50 Cb -0.10 -3.53 -0.02 0.00 -1.46 0.00 0.00 37.83 32.72 1www s LYS 50 CO 0.00 -0.14 1.49 -1.14 0.16 0.00 0.00 175.35 175.73 1www s GLN 51 N 1.53 3.94 0.12 4.03 0.74 1.00 -4.91 119.66 126.11 1www s GLN 51 Ca 0.33 1.64 0.08 0.00 0.05 0.00 0.00 55.36 57.46 1www s GLN 51 Cb -0.16 -3.95 -0.04 0.00 1.10 0.00 0.00 33.01 29.96 1www s GLN 51 CO 0.13 -1.10 -0.20 0.71 -0.55 0.00 0.00 175.29 174.28 1www s TYR 52 N 4.59 1.77 0.00 1.67 2.02 -1.26 -4.58 117.35 121.56 1www s TYR 52 Ca 0.66 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 1www s TYR 52 Cb -0.24 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1www s TYR 52 CO 0.26 0.23 -0.07 -0.06 -1.57 0.00 0.00 175.55 174.34 1www s PHE 53 N -1.42 0.59 -0.37 2.71 0.08 0.73 -4.94 117.98 115.36 1www s PHE 53 Ca 0.09 -0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.77 1www s PHE 53 Cb -0.09 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 1www s PHE 53 CO 0.05 -0.02 0.64 0.12 -0.10 0.00 0.00 175.22 175.91 1www s PHE 54 N -0.31 3.14 -0.02 0.36 5.36 -1.26 0.05 117.98 125.30 1www s PHE 54 Ca 0.01 0.31 0.06 0.00 -0.96 0.00 0.00 56.93 56.35 1www s PHE 54 Cb -0.03 -3.17 -0.01 0.00 -0.34 0.00 0.00 43.02 39.46 1www s PHE 54 CO -0.00 -0.66 -0.19 -1.21 -1.46 0.00 0.00 175.22 171.70 1www s GLU 55 N 2.74 1.60 -0.08 10.12 2.02 -0.52 -4.87 118.70 129.72 1www s GLU 55 Ca 0.24 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1www s GLU 55 Cb -0.14 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1www s GLU 55 CO 0.15 0.40 -0.19 0.99 0.02 0.00 0.00 175.26 176.63 1www s THR 56 N -0.40 1.64 0.11 3.63 2.01 -1.08 -1.24 115.64 120.32 1www s THR 56 Ca 0.06 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1www s THR 56 Cb -0.08 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1www s THR 56 CO -0.00 0.47 0.06 -1.59 -0.69 0.00 0.00 174.62 172.87 1www s LYS 57 N 0.41 0.86 0.35 4.92 -2.85 -0.81 -2.56 119.74 120.07 1www s LYS 57 Ca -0.15 -1.33 -0.29 0.00 -1.00 0.00 0.00 55.97 53.20 1www s LYS 57 Cb -0.16 0.25 -0.11 0.00 -2.06 0.00 0.00 37.83 35.75 1www s LYS 57 CO 0.06 -0.24 1.50 0.00 0.10 0.00 0.00 175.35 176.77 1www n ARG 59 N 0.93 0.43 -2.25 0.00 0.63 0.61 -4.75 116.66 112.25 1www n ARG 59 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1www n ARG 59 Cb 0.38 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 32.14 1www n ARG 59 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1www n ASP 60 N -0.65 -5.07 -0.27 6.15 8.00 -1.26 -5.04 116.55 118.41 1www n ASP 60 Ca 0.03 0.74 -0.02 0.00 0.71 0.00 0.00 54.79 56.25 1www n ASP 60 Cb 0.01 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 1www n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1www n GLY 67 N 2.14 -0.24 3.88 0.44 0.00 -1.11 -5.16 105.19 105.15 1www n GLY 67 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.64 4.47 0.00 0.00 3.52 -0.50 -3.48 118.95 118.31 1www s ARG 69 Ca 0.52 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1www s ARG 69 Cb -0.10 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1www s ARG 69 CO 0.44 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.29 1www n GLY 70 N 1.20 1.29 3.78 8.12 0.00 -1.26 -4.71 105.19 113.61 1www n GLY 70 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.54 3.32 -0.94 -0.61 -1.09 -1.23 -4.94 121.20 112.18 1www s ILE 71 Ca 0.00 0.88 -0.24 0.00 -2.23 0.00 0.00 60.65 59.06 1www s ILE 71 Cb 0.00 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1www s ILE 71 CO 0.00 -0.12 1.37 -0.62 -1.23 0.00 0.00 174.94 174.34 1www s ASP 72 N -1.69 6.42 0.00 3.58 -1.08 -1.26 -4.81 116.67 117.83 1www s ASP 72 Ca 0.68 -1.25 0.17 0.00 -0.52 0.00 0.00 52.55 51.63 1www s ASP 72 Cb -0.23 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.44 1www s ASP 72 CO 0.28 -1.55 1.53 -0.24 0.52 0.00 0.00 175.17 175.70 1www n SER 73 N 8.77 0.00 -0.02 -0.34 2.88 -1.26 -1.21 113.62 122.44 1www n SER 73 Ca 0.24 0.36 -0.12 0.00 -1.33 0.00 0.00 58.87 58.01 1www n SER 73 Cb 0.50 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 1www n SER 73 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1www h LYS 74 N 0.00 0.10 -0.01 -1.46 3.64 -2.03 -3.34 116.57 113.48 1www h LYS 74 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1www h LYS 74 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1www h LYS 74 CO 0.00 0.43 -0.69 0.72 -2.27 0.00 0.00 179.45 177.64 1www n HIS 75 N -4.84 0.00 -3.88 1.91 8.25 -1.03 -4.99 115.22 110.64 1www n HIS 75 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 1www n HIS 75 Cb 0.21 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.76 0.10 0.43 4.41 0.52 -0.35 -3.57 118.94 117.71 1www s TRP 76 Ca 0.14 0.02 -0.09 0.00 0.02 0.00 0.00 56.10 56.19 1www s TRP 76 Cb 0.17 -0.14 -0.06 0.00 -1.15 0.00 0.00 33.47 32.30 1www s TRP 76 CO 0.71 -0.04 0.77 -0.80 0.02 0.00 0.00 176.95 177.62 1www s ASN 77 N 0.37 6.45 -0.05 2.95 -0.87 0.15 -4.42 114.94 119.52 1www s ASN 77 Ca -0.03 1.07 -0.31 0.00 -1.57 0.00 0.00 52.86 52.03 1www s ASN 77 Cb -0.05 -2.30 0.11 0.00 -0.02 0.00 0.00 41.25 38.99 1www s ASN 77 CO -0.01 -0.45 1.02 -0.94 -2.57 0.00 0.00 177.10 174.15 1www s SER 78 N -3.42 -0.26 0.16 -1.22 1.04 -1.26 -1.92 113.70 106.82 1www s SER 78 Ca 0.50 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.65 1www s SER 78 Cb -0.10 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.38 1www s SER 78 CO 0.35 -0.50 0.70 -0.72 0.98 0.00 0.00 173.24 174.05 1www s TYR 79 N -2.86 -0.40 -0.05 5.02 1.13 -1.10 -2.75 117.35 116.34 1www s TYR 79 Ca 0.08 0.14 -0.05 0.00 -1.41 0.00 0.00 57.07 55.83 1www s TYR 79 Cb -0.01 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1www s TYR 79 CO -0.06 -0.88 0.18 0.00 -2.51 0.00 0.00 175.55 172.28 1www s THR 81 N -1.20 0.07 -0.16 0.00 -1.32 0.11 -4.95 115.64 108.20 1www s THR 81 Ca 0.23 -0.61 -0.29 0.00 -1.21 0.00 0.00 61.69 59.80 1www s THR 81 Cb -0.13 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 1www s THR 81 CO 0.13 -0.34 1.08 -0.89 -2.21 0.00 0.00 174.62 172.39 1www s THR 82 N -1.43 4.61 0.27 5.08 2.01 -1.26 0.19 115.64 125.10 1www s THR 82 Ca -0.14 1.91 0.07 0.00 0.31 0.00 0.00 61.69 63.85 1www s THR 82 Cb -0.06 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1www s THR 82 CO 0.02 -0.09 0.19 0.42 -0.69 0.00 0.00 174.62 174.47 1www s THR 83 N 2.73 4.18 0.50 -0.82 -4.23 0.84 -4.95 115.64 113.89 1www s THR 83 Ca 0.48 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1www s THR 83 Cb -0.18 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 1www s THR 83 CO 0.13 -0.32 0.19 -1.00 -0.54 0.00 0.00 174.62 173.08 1www s HIS 84 N -2.19 1.94 0.10 3.99 3.76 -1.26 -0.92 115.29 120.71 1www s HIS 84 Ca 0.34 -0.83 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 1www s HIS 84 Cb -0.07 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 1www s HIS 84 CO 0.25 -0.04 0.02 -0.08 -0.85 0.00 0.00 174.74 174.03 1www s THR 85 N -2.78 0.20 -0.16 1.30 -1.32 -0.29 -4.72 115.64 107.87 1www s THR 85 Ca 0.24 -1.88 -0.03 0.00 -1.21 0.00 0.00 61.69 58.81 1www s THR 85 Cb 0.01 -1.85 -0.02 0.00 -1.51 0.00 0.00 72.50 69.12 1www s THR 85 CO 0.14 -0.67 -0.06 -0.36 -2.21 0.00 0.00 174.62 171.47 1www s PHE 86 N -3.97 2.96 -0.00 9.09 0.08 -1.26 -1.48 117.98 123.40 1www s PHE 86 Ca 0.18 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1www s PHE 86 Cb 0.08 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1www s PHE 86 CO -0.02 -0.18 -0.09 0.54 -0.10 0.00 0.00 175.22 175.37 1www s VAL 87 N 0.59 0.68 0.34 -0.44 0.11 -0.20 -4.87 120.40 116.60 1www s VAL 87 Ca -0.04 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.29 1www s VAL 87 Cb -0.15 -0.58 -0.11 0.00 -1.53 0.00 0.00 36.38 34.02 1www s VAL 87 CO 0.03 0.14 1.41 -0.75 -3.33 0.00 0.00 175.10 172.60 1www s LYS 88 N -0.33 4.24 -0.05 1.54 2.47 -1.26 -0.58 119.74 125.76 1www s LYS 88 Ca 0.02 2.39 -0.24 0.00 -1.56 0.00 0.00 55.97 56.58 1www s LYS 88 Cb -0.04 -3.03 0.05 0.00 -1.46 0.00 0.00 37.83 33.35 1www s LYS 88 CO -0.00 -0.38 0.54 0.00 0.16 0.00 0.00 175.35 175.67 1www s ALA 89 N -0.92 -1.39 -0.35 3.13 0.00 0.91 -4.88 121.76 118.26 1www s ALA 89 Ca 0.53 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1www s ALA 89 Cb -0.43 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1www s ALA 89 CO 0.55 -0.32 1.13 -1.17 0.00 0.00 0.00 175.76 175.95 1www s LEU 90 N -1.10 3.87 0.00 0.00 2.96 -1.26 -1.17 118.68 121.98 1www s LEU 90 Ca -0.11 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.77 1www s LEU 90 Cb -0.02 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 1www s LEU 90 CO 0.07 -0.99 0.03 0.35 -1.32 0.00 0.00 176.35 174.49 1www n THR 91 N 6.11 0.00 -3.74 3.68 -2.24 0.45 -1.66 114.28 116.88 1www n THR 91 Ca 0.12 -1.35 -0.16 0.00 -2.27 0.00 0.00 64.05 60.39 1www n THR 91 Cb 0.47 0.34 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 1www n THR 91 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1www s MET 92 N -2.98 -0.02 -0.37 -0.78 -1.94 0.35 -1.43 119.30 112.13 1www s MET 92 Ca 0.04 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 1www s MET 92 Cb 0.00 -0.29 0.13 0.00 2.01 0.00 0.00 34.83 36.68 1www s MET 92 CO 0.03 -0.21 0.20 0.34 -0.01 0.00 0.00 175.02 175.37 1www s ASP 93 N 1.38 3.34 0.09 3.03 -1.08 -0.76 -2.12 116.67 120.55 1www s ASP 93 Ca -0.06 -2.22 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 1www s ASP 93 Cb -0.13 -0.65 0.00 0.00 -1.46 0.00 0.00 42.92 40.68 1www s ASP 93 CO -0.04 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 175.95 1www n GLY 94 N 4.04 0.41 1.38 2.66 0.00 -1.26 -2.50 105.19 109.92 1www n GLY 94 Ca 0.08 -0.92 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 9.71 1.94 -3.67 1.61 4.01 -1.26 -4.68 118.16 125.82 1www n LYS 95 Ca 0.00 -1.31 -0.38 0.00 -0.51 0.00 0.00 58.31 56.11 1www n LYS 95 Cb 0.00 -1.62 -0.09 0.00 -0.51 0.00 0.00 35.03 32.81 1www n LYS 95 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1www s GLN 96 N -1.53 2.53 -0.09 1.97 -0.21 -1.04 -5.04 119.66 116.26 1www s GLN 96 Ca 0.24 -2.28 -0.30 0.00 0.02 0.00 0.00 55.36 53.04 1www s GLN 96 Cb 0.20 -3.79 -0.02 0.00 1.00 0.00 0.00 33.01 30.40 1www s GLN 96 CO 0.05 -1.17 1.00 0.00 -2.12 0.00 0.00 175.29 173.06 1www s ALA 97 N 0.38 3.36 0.10 6.09 0.00 -1.26 -1.83 121.76 128.61 1www s ALA 97 Ca 0.14 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1www s ALA 97 Cb -0.21 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1www s ALA 97 CO -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 175.76 175.20 1www s ALA 98 N 1.83 0.80 -1.05 0.00 0.00 -0.51 -4.95 121.76 117.87 1www s ALA 98 Ca 0.49 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 1www s ALA 98 Cb -0.19 0.58 0.22 0.00 0.00 0.00 0.00 23.12 23.73 1www s ALA 98 CO 0.20 -0.41 1.12 -0.46 0.00 0.00 0.00 175.76 176.21 1www s TRP 99 N -3.94 3.81 0.18 0.00 -0.00 -1.26 -0.42 118.94 117.32 1www s TRP 99 Ca 0.17 -2.22 0.09 0.00 -0.00 0.00 0.00 56.10 54.14 1www s TRP 99 Cb 0.07 -4.02 -0.04 0.00 -0.00 0.00 0.00 33.47 29.49 1www s TRP 99 CO -0.03 -1.15 -0.13 1.03 -0.00 0.00 0.00 176.95 176.68 1www s ARG 100 N 0.30 1.94 -0.01 5.86 0.52 -0.32 -4.81 118.95 122.44 1www s ARG 100 Ca 0.31 -1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 1www s ARG 100 Cb -0.07 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 1www s ARG 100 CO -0.06 0.43 1.01 -0.06 0.02 0.00 0.00 175.30 176.63 1www s PHE 101 N -1.70 3.61 0.35 -0.53 0.08 -1.26 -0.06 117.98 118.46 1www s PHE 101 Ca 0.24 1.64 0.09 0.00 0.12 0.00 0.00 56.93 59.02 1www s PHE 101 Cb -0.09 -3.16 -0.07 0.00 -0.57 0.00 0.00 43.02 39.14 1www s PHE 101 CO 0.14 -0.18 -0.09 0.96 -0.10 0.00 0.00 175.22 175.95 1www s ILE 102 N 1.21 2.25 -0.18 0.64 -4.36 0.25 -2.35 121.20 118.65 1www s ILE 102 Ca 0.52 -2.19 -0.20 0.00 -0.26 0.00 0.00 60.65 58.52 1www s ILE 102 Cb -0.21 -2.67 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1www s ILE 102 CO 0.26 -0.19 0.59 -0.60 0.24 0.00 0.00 174.94 175.24 1www s ARG 103 N -3.62 4.23 0.02 0.37 3.52 -0.51 -1.04 118.95 121.92 1www s ARG 103 Ca 0.33 0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1www s ARG 103 Cb 0.03 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1www s ARG 103 CO 0.17 -0.16 -0.03 0.96 -0.81 0.00 0.00 175.30 175.43 1www s ILE 104 N 1.66 0.11 0.25 4.11 -4.36 -0.55 -4.63 121.20 117.80 1www s ILE 104 Ca 0.28 -0.93 -0.31 0.00 -0.26 0.00 0.00 60.65 59.42 1www s ILE 104 Cb -0.16 -0.30 -0.12 0.00 1.25 0.00 0.00 42.46 43.13 1www s ILE 104 CO 0.11 -0.51 1.60 0.47 0.24 0.00 0.00 174.94 176.84 1www n ASP 105 N 1.56 3.64 0.00 4.36 8.00 -1.26 -1.13 116.55 131.71 1www n ASP 105 Ca -0.24 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.38 1www n ASP 105 Cb 0.55 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1www n ASP 105 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1www n THR 106 N 2.67 0.00 -3.81 -3.53 5.66 -0.10 -2.63 114.28 112.54 1www n THR 106 Ca 0.12 -0.06 -0.04 0.00 -3.05 0.00 0.00 64.05 61.02 1www n THR 106 Cb 0.35 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 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 -0.35 -1.57 -0.13 1.79 0.00 -0.97 -4.55 121.76 115.97 1www s ALA 107 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1www s ALA 107 Cb 0.00 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1www s ALA 107 CO 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 175.76 174.69 1www s VAL 109 N 1.80 2.51 -0.16 0.00 -7.23 0.13 -4.77 120.40 112.69 1www s VAL 109 Ca 0.02 -2.19 -0.18 0.00 -1.81 0.00 0.00 61.98 57.82 1www s VAL 109 Cb -0.14 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1www s VAL 109 CO -0.07 -0.28 0.50 0.00 -0.31 0.00 0.00 175.10 174.94 1www s VAL 111 N 1.12 5.01 0.14 0.00 1.01 0.02 -4.98 120.40 122.72 1www s VAL 111 Ca 0.25 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1www s VAL 111 Cb -0.15 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1www s VAL 111 CO 0.10 0.28 0.55 -0.22 0.00 0.00 0.00 175.10 175.81 1www s LEU 112 N 1.69 4.36 -0.23 3.92 2.96 -1.26 -2.71 118.68 127.41 1www s LEU 112 Ca 0.07 1.11 -0.07 0.00 -0.22 0.00 0.00 54.13 55.01 1www s LEU 112 Cb -0.16 -3.22 0.11 0.00 0.50 0.00 0.00 46.19 43.42 1www s LEU 112 CO 0.09 0.12 0.48 -0.55 -1.32 0.00 0.00 176.35 175.17 1www s SER 113 N -1.63 -0.49 0.56 3.68 0.15 -0.81 -4.99 113.70 110.16 1www s SER 113 Ca 0.37 1.07 -0.20 0.00 0.70 0.00 0.00 55.95 57.88 1www s SER 113 Cb -0.16 1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 65.72 1www s SER 113 CO 0.19 -0.24 1.26 -0.13 1.20 0.00 0.00 173.24 175.52 1www s ARG 114 N 2.69 3.12 0.35 5.44 0.52 -1.26 0.31 118.95 130.11 1www s ARG 114 Ca -0.00 1.97 0.03 0.00 -0.52 0.00 0.00 55.73 57.20 1www s ARG 114 Cb -0.12 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.26 1www s ARG 114 CO -0.15 -1.13 0.21 0.36 0.02 0.00 0.00 175.30 174.62 1www n LYS 115 N -1.25 1.02 -0.90 3.54 2.85 -1.23 -4.74 118.16 117.45 1www n LYS 115 Ca 0.12 -2.22 0.00 0.00 -1.05 0.00 0.00 58.31 55.15 1www n LYS 115 Cb 0.48 0.31 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 1www n LYS 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35