#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlq s SER 5 N 0.00 -0.47 0.33 -1.84 1.04 -0.49 -4.98 113.70 107.29 1nlq s SER 5 Ca 0.00 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 56.96 1nlq s SER 5 Cb 0.00 0.84 -0.10 0.00 0.10 0.00 0.00 66.02 66.86 1nlq s SER 5 CO 0.00 -0.26 1.24 0.12 0.98 0.00 0.00 173.24 175.32 1nlq s PHE 6 N -0.15 3.17 -0.19 5.02 5.36 -1.26 -1.14 117.98 128.80 1nlq s PHE 6 Ca -0.03 1.50 -0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1nlq s PHE 6 Cb -0.03 -3.55 0.01 0.00 -0.34 0.00 0.00 43.02 39.11 1nlq s PHE 6 CO 0.02 -1.49 -0.16 -0.47 -1.46 0.00 0.00 175.22 171.67 1nlq s TYR 7 N -1.18 2.82 -0.18 10.12 5.04 0.47 -4.82 117.35 129.63 1nlq s TYR 7 Ca 0.49 -1.44 -0.04 0.00 -2.44 0.00 0.00 57.07 53.63 1nlq s TYR 7 Cb -0.37 -1.96 0.08 0.00 0.35 0.00 0.00 41.96 40.06 1nlq s TYR 7 CO 0.48 -0.73 0.23 0.20 -1.34 0.00 0.00 175.55 174.39 1nlq s GLY 8 N 1.31 -0.02 0.06 8.97 0.00 -1.25 -0.33 107.32 116.05 1nlq s GLY 8 Ca 0.05 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.24 1nlq s GLY 8 CO -0.10 2.07 -0.12 -1.34 0.00 0.00 0.00 173.10 173.62 1nlq s VAL 9 N 2.35 0.90 -0.07 1.40 -7.23 -0.62 -4.98 120.40 112.15 1nlq s VAL 9 Ca 0.06 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1nlq s VAL 9 Cb -0.15 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 1nlq s VAL 9 CO -0.11 -0.27 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.42 1nlq s THR 10 N -1.29 3.39 -0.03 5.32 2.01 -1.26 -0.97 115.64 122.81 1nlq s THR 10 Ca -0.05 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.43 1nlq s THR 10 Cb -0.10 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1nlq s THR 10 CO 0.02 0.58 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.52 1nlq s LEU 11 N -0.58 2.05 0.28 4.42 1.43 0.19 -4.93 118.68 121.53 1nlq s LEU 11 Ca 0.08 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1nlq s LEU 11 Cb -0.12 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1nlq s LEU 11 CO 0.02 0.27 0.31 0.42 0.23 0.00 0.00 176.35 177.60 1nlq s THR 12 N -0.39 0.00 0.33 5.49 -4.23 0.44 -1.11 115.64 116.18 1nlq s THR 12 Ca 0.04 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 1nlq s THR 12 Cb -0.11 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.46 1nlq s THR 12 CO 0.01 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.03 1nlq h ALA 13 N 2.31 1.43 0.00 3.99 0.00 -1.64 -0.53 119.26 124.82 1nlq h ALA 13 Ca -0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1nlq h ALA 13 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1nlq h ALA 13 CO 0.42 0.46 0.00 0.93 0.00 0.00 0.00 179.25 181.06 1nlq h GLU 14 N 0.79 0.00 -1.98 0.00 3.07 -1.96 -3.36 114.58 111.14 1nlq h GLU 14 Ca 0.20 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.59 1nlq h GLU 14 Cb 0.07 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 27.66 1nlq h GLU 14 CO -0.03 0.00 -0.84 0.45 -1.40 0.00 0.00 179.01 177.19 1nlq s SER 15 N -6.01 0.61 0.00 1.42 0.15 -0.85 -5.02 113.70 104.00 1nlq s SER 15 Ca 0.06 -2.67 0.28 0.00 0.70 0.00 0.00 55.95 54.31 1nlq s SER 15 Cb 0.06 0.23 1.06 0.00 -1.71 0.00 0.00 66.02 65.67 1nlq s SER 15 CO 0.63 -0.14 1.75 -0.90 1.20 0.00 0.00 173.24 175.78 1nlq n ASP 16 N 2.90 1.03 -4.01 5.45 5.68 -0.27 -0.42 116.55 126.91 1nlq n ASP 16 Ca 0.26 -1.09 -0.10 0.00 -0.50 0.00 0.00 54.79 53.37 1nlq n ASP 16 Cb 0.50 0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 1nlq n ASP 16 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1nlq s SER 17 N -2.25 0.41 -0.07 -1.12 0.01 -1.26 -0.40 113.70 109.02 1nlq s SER 17 Ca 0.33 -0.58 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 1nlq s SER 17 Cb 0.20 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.55 1nlq s SER 17 CO 0.42 -0.32 0.21 0.68 0.41 0.00 0.00 173.24 174.64 1nlq s VAL 18 N -1.79 0.01 -0.05 3.43 -7.23 -0.78 -5.01 120.40 108.99 1nlq s VAL 18 Ca -0.11 -0.11 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 1nlq s VAL 18 Cb -0.08 -0.34 -0.01 0.00 0.56 0.00 0.00 36.38 36.52 1nlq s VAL 18 CO -0.02 -0.06 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.60 1nlq s THR 19 N -0.15 1.80 -0.19 5.32 2.01 -1.26 -1.06 115.64 122.11 1nlq s THR 19 Ca -0.03 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.95 1nlq s THR 19 Cb -0.02 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 1nlq s THR 19 CO 0.01 0.51 0.10 0.86 -0.69 0.00 0.00 174.62 175.41 1nlq s TRP 20 N -0.16 3.34 0.00 4.92 -0.00 0.95 -4.95 118.94 123.05 1nlq s TRP 20 Ca -0.02 0.22 0.00 0.00 -0.00 0.00 0.00 56.10 56.30 1nlq s TRP 20 Cb -0.12 -2.13 0.00 0.00 -0.00 0.00 0.00 33.47 31.22 1nlq s TRP 20 CO 0.02 0.23 0.00 -0.25 -0.00 0.00 0.00 176.95 176.95 1nlq n ASP 21 N 3.53 0.67 -2.05 5.86 10.43 -1.26 -1.35 116.55 132.38 1nlq n ASP 21 Ca -0.16 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.18 1nlq n ASP 21 Cb 0.52 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.48 1nlq n ASP 21 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1nlq n VAL 22 N 0.00 0.00 -0.98 2.53 3.14 -1.26 -4.93 118.33 116.82 1nlq n VAL 22 Ca 0.00 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1nlq n VAL 22 Cb 0.00 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 1nlq n VAL 22 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nlq n GLY 29 N 4.01 0.00 3.71 7.55 0.00 -1.26 -5.19 105.19 114.00 1nlq n GLY 29 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1nlq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nlq s GLN 30 N 4.73 4.38 -0.04 1.61 0.74 -1.26 -4.30 119.66 125.52 1nlq s GLN 30 Ca 0.00 0.73 0.02 0.00 0.05 0.00 0.00 55.36 56.15 1nlq s GLN 30 Cb 0.00 -3.46 0.02 0.00 1.10 0.00 0.00 33.01 30.66 1nlq s GLN 30 CO 0.00 0.04 -0.07 0.21 -0.55 0.00 0.00 175.29 174.92 1nlq s LYS 31 N 0.93 1.06 -0.27 1.67 2.20 -0.71 -4.53 119.74 120.09 1nlq s LYS 31 Ca 0.33 -0.23 -0.09 0.00 -0.36 0.00 0.00 55.97 55.62 1nlq s LYS 31 Cb -0.17 -0.97 -0.04 0.00 -1.51 0.00 0.00 37.83 35.14 1nlq s LYS 31 CO 0.15 -0.00 0.13 -1.17 -0.36 0.00 0.00 175.35 174.09 1nlq s LEU 32 N 0.66 3.74 -0.23 5.43 2.96 -0.35 -1.12 118.68 129.78 1nlq s LEU 32 Ca -0.10 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1nlq s LEU 32 Cb -0.13 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1nlq s LEU 32 CO 0.01 -0.04 0.03 -0.69 -1.32 0.00 0.00 176.35 174.34 1nlq s VAL 33 N 1.69 4.09 -0.40 1.68 1.01 -0.36 -0.91 120.40 127.21 1nlq s VAL 33 Ca 0.07 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 1nlq s VAL 33 Cb -0.16 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1nlq s VAL 33 CO 0.07 0.39 0.35 -0.63 0.00 0.00 0.00 175.10 175.29 1nlq s ILE 34 N 1.32 5.18 -0.13 2.22 -1.09 0.21 -1.46 121.20 127.45 1nlq s ILE 34 Ca 0.04 -0.39 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1nlq s ILE 34 Cb -0.15 -3.93 -0.25 0.00 -1.58 0.00 0.00 42.46 36.55 1nlq s ILE 34 CO 0.02 -0.29 0.31 0.29 -1.23 0.00 0.00 174.94 174.04 1nlq n LYS 35 N 5.35 0.74 -3.78 2.79 4.76 0.12 -0.77 118.16 127.37 1nlq n LYS 35 Ca -0.09 0.27 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1nlq n LYS 35 Cb 0.48 -1.70 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 1nlq n LYS 35 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1nlq s GLN 36 N -2.55 0.45 -0.15 1.97 0.74 -0.91 -3.67 119.66 115.54 1nlq s GLN 36 Ca -0.24 0.11 -0.00 0.00 0.05 0.00 0.00 55.36 55.28 1nlq s GLN 36 Cb 0.07 0.21 0.03 0.00 1.10 0.00 0.00 33.01 34.42 1nlq s GLN 36 CO 0.75 -0.09 -0.09 0.42 -0.55 0.00 0.00 175.29 175.73 1nlq s ILE 37 N -0.50 1.26 -0.05 -2.34 1.01 -0.63 -0.26 121.20 119.69 1nlq s ILE 37 Ca -0.06 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1nlq s ILE 37 Cb -0.04 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1nlq s ILE 37 CO 0.02 0.28 -0.24 -0.22 0.00 0.00 0.00 174.94 174.78 1nlq s LEU 38 N 1.59 2.16 -0.08 2.97 2.96 0.52 -1.69 118.68 127.11 1nlq s LEU 38 Ca 0.03 -0.47 -0.24 0.00 -0.22 0.00 0.00 54.13 53.23 1nlq s LEU 38 Cb -0.14 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1nlq s LEU 38 CO -0.09 0.26 0.75 -0.22 -1.32 0.00 0.00 176.35 175.74 1nlq s LEU 39 N -0.27 4.29 0.61 -0.68 2.96 -0.19 -0.14 118.68 125.26 1nlq s LEU 39 Ca -0.00 1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 54.96 1nlq s LEU 39 Cb -0.13 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 1nlq s LEU 39 CO 0.03 -0.18 1.19 -0.83 -1.32 0.00 0.00 176.35 175.23 1nlq s GLY 40 N 0.90 2.62 0.50 7.98 0.00 0.60 -4.92 107.32 115.01 1nlq s GLY 40 Ca 0.39 0.93 0.18 0.00 0.00 0.00 0.00 44.72 46.22 1nlq s GLY 40 CO 0.18 1.32 2.07 0.00 0.00 0.00 0.00 173.10 176.67 1nlq h ALA 41 N 0.67 2.15 -0.00 3.20 0.00 -1.96 -1.59 119.26 121.73 1nlq h ALA 41 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nlq h ALA 41 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nlq h ALA 41 CO 0.54 -0.22 -0.01 0.39 0.00 0.00 0.00 179.25 179.96 1nlq n GLU 42 N -4.47 0.55 -1.73 0.00 -0.58 -1.26 -4.88 120.64 108.27 1nlq n GLU 42 Ca 0.04 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 1nlq n GLU 42 Cb 0.30 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1nlq n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nlq n ALA 43 N -1.21 2.54 -1.68 0.62 0.00 -0.60 -4.86 120.51 115.31 1nlq n ALA 43 Ca 0.16 0.38 -0.44 0.00 0.00 0.00 0.00 53.44 53.54 1nlq n ALA 43 Cb 0.22 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 1nlq n ALA 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nlq n LYS 44 N 2.73 2.17 -1.75 0.00 4.76 -1.26 -4.85 118.16 119.95 1nlq n LYS 44 Ca 0.11 0.77 -0.41 0.00 -2.87 0.00 0.00 58.31 55.92 1nlq n LYS 44 Cb 0.36 -2.47 0.01 0.00 -1.84 0.00 0.00 35.03 31.09 1nlq n LYS 44 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1nlq n GLU 45 N 2.30 2.31 -0.84 1.97 4.07 -1.26 -2.21 120.64 126.98 1nlq n GLU 45 Ca 0.12 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1nlq n GLU 45 Cb 0.32 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 1nlq n GLU 45 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1nlq n ASN 46 N 0.10 -2.63 -4.64 4.31 3.02 -0.52 -4.93 115.26 109.96 1nlq n ASN 46 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 1nlq n ASN 46 Cb 0.40 -2.15 -0.07 0.00 -0.61 0.00 0.00 39.78 37.35 1nlq n ASN 46 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1nlq s GLU 47 N -1.04 4.14 0.07 3.52 2.12 -0.94 -4.92 118.70 121.64 1nlq s GLU 47 Ca 0.00 0.47 -0.31 0.00 0.36 0.00 0.00 54.97 55.49 1nlq s GLU 47 Cb 0.00 -3.62 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 1nlq s GLU 47 CO 0.00 -0.30 1.27 -0.06 -0.54 0.00 0.00 175.26 175.63 1nlq s PHE 48 N 2.14 3.33 -0.19 5.30 0.40 -1.26 -4.21 117.98 123.49 1nlq s PHE 48 Ca 0.25 1.16 0.01 0.00 -0.60 0.00 0.00 56.93 57.75 1nlq s PHE 48 Cb -0.16 -3.52 0.03 0.00 0.51 0.00 0.00 43.02 39.89 1nlq s PHE 48 CO 0.09 -1.70 -0.16 -0.80 0.70 0.00 0.00 175.22 173.36 1nlq s ASN 49 N 1.14 3.30 -0.13 1.36 0.01 0.61 -2.88 114.94 118.34 1nlq s ASN 49 Ca 0.61 -0.78 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 1nlq s ASN 49 Cb -0.32 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 39.95 1nlq s ASN 49 CO 0.29 -0.07 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.93 1nlq s VAL 50 N 1.32 2.37 -0.23 1.60 1.01 -0.62 -0.46 120.40 125.38 1nlq s VAL 50 Ca 0.02 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1nlq s VAL 50 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1nlq s VAL 50 CO -0.10 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1nlq s VAL 51 N 0.65 4.29 -0.11 2.92 1.01 -0.45 -1.64 120.40 127.08 1nlq s VAL 51 Ca -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1nlq s VAL 51 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1nlq s VAL 51 CO 0.02 0.38 0.05 -0.70 0.00 0.00 0.00 175.10 174.85 1nlq s GLU 52 N 1.27 3.28 0.07 2.72 2.12 0.14 -0.37 118.70 127.93 1nlq s GLU 52 Ca 0.04 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.10 1nlq s GLU 52 Cb -0.15 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1nlq s GLU 52 CO 0.03 0.65 -0.03 0.54 -0.54 0.00 0.00 175.26 175.90 1nlq s VAL 53 N -0.70 3.83 -0.15 3.70 0.11 0.14 -0.94 120.40 126.38 1nlq s VAL 53 Ca 0.12 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1nlq s VAL 53 Cb -0.12 -2.78 0.05 0.00 -1.53 0.00 0.00 36.38 31.99 1nlq s VAL 53 CO 0.02 0.18 -0.00 0.20 -3.33 0.00 0.00 175.10 172.17 1nlq s ASN 54 N -2.09 2.57 -0.45 3.54 0.01 -0.15 -1.49 114.94 116.87 1nlq s ASN 54 Ca 0.23 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1nlq s ASN 54 Cb -0.11 -0.67 0.13 0.00 0.41 0.00 0.00 41.25 41.01 1nlq s ASN 54 CO 0.15 -0.24 0.24 0.28 -1.51 0.00 0.00 177.10 176.03 1nlq s THR 55 N 1.80 1.58 0.38 1.60 -1.32 -0.88 -1.84 115.64 116.97 1nlq s THR 55 Ca 0.01 -2.67 0.08 0.00 -1.21 0.00 0.00 61.69 57.90 1nlq s THR 55 Cb -0.15 -2.11 0.30 0.00 -1.51 0.00 0.00 72.50 69.03 1nlq s THR 55 CO -0.07 -0.88 1.96 -0.65 -2.21 0.00 0.00 174.62 172.77 1nlq h PRO 56 N 6.69 0.64 -0.84 7.08 0.11 -1.84 -1.48 132.00 142.37 1nlq h PRO 56 Ca -0.02 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.20 1nlq h PRO 56 Cb 0.92 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.82 1nlq h PRO 56 CO 0.51 0.43 0.55 -0.22 -0.21 0.00 0.00 178.00 179.06 1nlq h LYS 57 N 0.66 0.58 -0.41 1.05 3.64 -1.95 -0.27 116.57 119.87 1nlq h LYS 57 Ca 0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1nlq h LYS 57 Cb 0.33 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1nlq h LYS 57 CO -0.10 0.38 0.00 -0.25 -2.27 0.00 0.00 179.45 177.21 1nlq n ASP 58 N -4.53 3.16 -3.31 4.20 8.00 -0.93 -5.03 116.55 118.10 1nlq n ASP 58 Ca 0.16 -2.04 -0.09 0.00 0.71 0.00 0.00 54.79 53.52 1nlq n ASP 58 Cb 0.49 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1nlq n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nlq n SER 59 N 0.67 -6.77 -3.40 -2.24 7.64 -0.11 -5.04 113.62 104.37 1nlq n SER 59 Ca 0.14 -0.41 -0.05 0.00 1.01 0.00 0.00 58.87 59.57 1nlq n SER 59 Cb 0.48 -4.15 -0.06 0.00 -1.01 0.00 0.00 64.21 59.47 1nlq n SER 59 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nlq s VAL 60 N -3.04 -0.75 -0.29 0.44 1.01 -1.03 -5.00 120.40 111.75 1nlq s VAL 60 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1nlq s VAL 60 Cb -0.01 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1nlq s VAL 60 CO 0.80 -0.04 0.04 -1.58 0.00 0.00 0.00 175.10 174.32 1nlq s GLN 61 N 2.67 2.96 -0.07 2.72 0.74 -1.26 -2.07 119.66 125.36 1nlq s GLN 61 Ca 0.10 -0.93 -0.30 0.00 0.05 0.00 0.00 55.36 54.28 1nlq s GLN 61 Cb -0.14 -3.27 0.09 0.00 1.10 0.00 0.00 33.01 30.79 1nlq s GLN 61 CO -0.17 -0.45 0.77 -1.50 -0.55 0.00 0.00 175.29 173.39 1nlq s ILE 62 N 1.43 0.00 0.30 -2.34 2.07 -0.56 -4.98 121.20 117.13 1nlq s ILE 62 Ca 0.01 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.96 1nlq s ILE 62 Cb -0.17 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.32 1nlq s ILE 62 CO 0.00 0.00 1.23 -2.84 -1.91 0.00 0.00 174.94 171.43 1nlq s PRO 63 N -1.41 4.46 0.00 3.50 0.02 -1.26 -0.69 135.00 139.62 1nlq s PRO 63 Ca -0.07 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1nlq s PRO 63 Cb -0.00 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.40 1nlq s PRO 63 CO 0.05 -0.05 0.47 0.44 -0.33 0.00 0.00 177.00 177.58 1nlq n ILE 64 N 1.09 0.00 -3.68 2.83 -5.35 0.50 -4.86 119.36 109.89 1nlq n ILE 64 Ca 0.00 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1nlq n ILE 64 Cb 0.43 1.03 -0.09 0.00 -1.74 0.00 0.00 39.64 39.27 1nlq n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nlq s ALA 65 N -0.34 -1.33 -0.20 -1.28 0.00 -1.14 -4.83 121.76 112.64 1nlq s ALA 65 Ca 0.02 1.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 1nlq s ALA 65 Cb 0.01 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.17 1nlq s ALA 65 CO 0.03 -0.29 -0.01 0.08 0.00 0.00 0.00 175.76 175.58 1nlq s VAL 66 N 1.06 0.90 0.22 0.00 1.01 -1.26 -1.34 120.40 120.99 1nlq s VAL 66 Ca -0.06 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1nlq s VAL 66 Cb -0.06 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1nlq s VAL 66 CO -0.10 -0.11 -0.20 -0.76 0.00 0.00 0.00 175.10 173.94 1nlq s LEU 67 N 1.69 2.51 -0.30 3.92 1.43 0.39 -4.93 118.68 123.39 1nlq s LEU 67 Ca -0.02 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 1nlq s LEU 67 Cb -0.17 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.20 1nlq s LEU 67 CO -0.07 0.02 0.78 -0.75 0.23 0.00 0.00 176.35 176.55 1nlq s LYS 68 N -3.14 0.47 0.15 1.70 2.20 -0.51 -0.29 119.74 120.32 1nlq s LYS 68 Ca 0.23 1.17 -0.33 0.00 -0.36 0.00 0.00 55.97 56.68 1nlq s LYS 68 Cb -0.05 0.70 -0.13 0.00 -1.51 0.00 0.00 37.83 36.84 1nlq s LYS 68 CO 0.11 -0.17 1.68 0.00 -0.36 0.00 0.00 175.35 176.61 1nlq n ALA 69 N 5.27 1.94 0.00 3.13 0.00 -1.26 -0.83 120.51 128.76 1nlq n ALA 69 Ca -0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nlq n ALA 69 Cb 0.50 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1nlq n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nlq n GLY 70 N 3.78 1.39 1.61 0.00 0.00 -1.26 -1.44 105.19 109.27 1nlq n GLY 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nlq n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nlq n GLU 71 N -1.77 0.00 -3.75 1.61 2.13 -0.01 -5.06 120.64 113.78 1nlq n GLU 71 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1nlq n GLU 71 Cb 0.00 -0.20 -0.17 0.00 0.27 0.00 0.00 31.44 31.34 1nlq n GLU 71 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nlq s THR 72 N -2.00 0.57 -0.07 6.31 2.01 -0.21 -4.98 115.64 117.26 1nlq s THR 72 Ca 0.00 -0.49 0.14 0.00 0.31 0.00 0.00 61.69 61.65 1nlq s THR 72 Cb 0.00 -1.00 -0.15 0.00 0.01 0.00 0.00 72.50 71.36 1nlq s THR 72 CO 0.00 -0.12 0.91 -0.09 -0.69 0.00 0.00 174.62 174.63 1nlq h ARG 73 N 8.24 0.00 -2.93 4.92 9.65 -1.95 -1.37 114.38 130.94 1nlq h ARG 73 Ca -0.17 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.68 1nlq h ARG 73 Cb 1.12 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.57 1nlq h ARG 73 CO 0.33 0.47 0.18 0.00 2.80 0.00 0.00 179.97 183.75 1nlq s ALA 74 N -2.80 -1.55 0.11 2.80 0.00 -1.26 -1.03 121.76 118.03 1nlq s ALA 74 Ca -0.02 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.51 1nlq s ALA 74 Cb 0.08 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1nlq s ALA 74 CO 0.81 -0.72 -0.11 0.14 0.00 0.00 0.00 175.76 175.89 1nlq s VAL 75 N -3.48 1.04 -0.60 0.00 -7.23 -0.68 -5.01 120.40 104.44 1nlq s VAL 75 Ca -0.00 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1nlq s VAL 75 Cb -0.01 -1.50 0.18 0.00 0.56 0.00 0.00 36.38 35.61 1nlq s VAL 75 CO -0.10 -0.59 0.47 0.59 -0.31 0.00 0.00 175.10 175.15 1nlq n ASN 76 N 0.37 1.83 -0.21 4.85 3.02 -1.26 -1.61 115.26 122.26 1nlq n ASN 76 Ca -0.15 -2.94 -0.01 0.00 -0.03 0.00 0.00 54.58 51.46 1nlq n ASN 76 Cb 0.58 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 39.17 1nlq n ASN 76 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1nlq h PRO 77 N 5.32 0.49 -6.24 3.52 0.11 -1.76 -3.46 132.00 129.98 1nlq h PRO 77 Ca 0.19 -0.03 -0.46 0.00 0.11 0.00 0.00 66.00 65.81 1nlq h PRO 77 Cb 0.80 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1nlq h PRO 77 CO 0.60 0.32 -0.77 -3.47 -0.21 0.00 0.00 178.00 174.48 1nlq n ASP 78 N -4.92 -4.14 -4.86 -2.05 2.03 0.05 -4.97 116.55 97.69 1nlq n ASP 78 Ca 0.08 -0.78 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 1nlq n ASP 78 Cb 0.23 -3.97 -0.04 0.00 -0.72 0.00 0.00 41.12 36.63 1nlq n ASP 78 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1nlq s VAL 79 N -3.38 4.67 0.05 5.18 -7.23 -1.01 -4.91 120.40 113.75 1nlq s VAL 79 Ca 0.53 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 1nlq s VAL 79 Cb -0.26 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1nlq s VAL 79 CO 0.82 -0.34 -0.08 -1.83 -0.31 0.00 0.00 175.10 173.36 1nlq s GLU 80 N -3.86 0.56 -0.25 4.82 -1.05 -1.26 -0.62 118.70 117.03 1nlq s GLU 80 Ca 0.33 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 1nlq s GLU 80 Cb -0.08 -0.32 0.07 0.00 -0.44 0.00 0.00 34.13 33.36 1nlq s GLU 80 CO 0.26 0.05 -0.00 -0.06 0.95 0.00 0.00 175.26 176.46 1nlq s PHE 81 N -1.49 2.16 0.01 4.83 0.40 -0.08 -4.94 117.98 118.87 1nlq s PHE 81 Ca -0.08 -1.71 0.11 0.00 -0.60 0.00 0.00 56.93 54.65 1nlq s PHE 81 Cb -0.09 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1nlq s PHE 81 CO 0.00 -0.78 1.38 1.88 0.70 0.00 0.00 175.22 178.41 1nlq h TYR 82 N 8.00 0.00 -1.64 0.36 0.05 -1.86 -0.91 116.97 120.96 1nlq h TYR 82 Ca -0.16 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.15 1nlq h TYR 82 Cb 1.07 0.00 0.25 0.00 1.01 0.00 0.00 36.73 39.05 1nlq h TYR 82 CO 0.43 0.74 -1.96 0.39 -1.05 0.00 0.00 178.16 176.71 1nlq n GLU 83 N -3.32 -0.71 0.00 4.88 4.71 -1.26 -4.61 120.64 120.33 1nlq n GLU 83 Ca 0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 1nlq n GLU 83 Cb 0.82 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.93 1nlq n GLU 83 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1nlq n SER 84 N 1.16 0.00 -4.76 1.62 2.88 -1.26 -4.87 113.62 108.39 1nlq n SER 84 Ca -0.01 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1nlq n SER 84 Cb 0.69 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 1nlq n SER 84 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1nlq s LYS 85 N 0.00 4.59 -0.02 -1.46 2.20 -1.26 -4.74 119.74 119.04 1nlq s LYS 85 Ca 0.00 1.74 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 1nlq s LYS 85 Cb 0.00 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1nlq s LYS 85 CO 0.00 0.18 -0.01 0.08 -0.36 0.00 0.00 175.35 175.24 1nlq s VAL 86 N -1.24 0.23 -0.08 4.02 1.01 -0.46 -4.54 120.40 119.35 1nlq s VAL 86 Ca 0.46 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1nlq s VAL 86 Cb -0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1nlq s VAL 86 CO 0.38 0.13 -0.18 -0.89 0.00 0.00 0.00 175.10 174.55 1nlq s THR 87 N 0.72 2.66 -0.11 3.92 2.01 -0.76 -0.03 115.64 124.04 1nlq s THR 87 Ca -0.08 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1nlq s THR 87 Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1nlq s THR 87 CO -0.01 0.56 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.02 1nlq s PHE 88 N -0.11 2.86 -0.01 4.92 0.40 -0.22 -0.98 117.98 124.83 1nlq s PHE 88 Ca -0.03 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1nlq s PHE 88 Cb -0.14 -1.80 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1nlq s PHE 88 CO 0.04 0.00 -0.01 0.21 0.70 0.00 0.00 175.22 176.16 1nlq s LYS 89 N -0.07 0.17 -0.99 0.44 2.20 -0.11 -1.87 119.74 119.51 1nlq s LYS 89 Ca -0.01 -0.01 -0.22 0.00 -0.36 0.00 0.00 55.97 55.38 1nlq s LYS 89 Cb -0.14 -0.24 0.08 0.00 -1.51 0.00 0.00 37.83 36.02 1nlq s LYS 89 CO 0.03 -0.02 1.34 -1.17 -0.36 0.00 0.00 175.35 175.17 1nlq s LEU 90 N 0.33 4.02 0.18 5.43 2.96 0.47 -0.68 118.68 131.38 1nlq s LEU 90 Ca -0.03 -1.64 0.26 0.00 -0.22 0.00 0.00 54.13 52.50 1nlq s LEU 90 Cb -0.05 -2.51 0.79 0.00 0.50 0.00 0.00 46.19 44.92 1nlq s LEU 90 CO -0.01 -1.36 1.74 2.30 -1.32 0.00 0.00 176.35 177.70 1nlq n ILE 91 N 6.42 0.52 -3.84 6.68 -5.35 -0.65 -4.79 119.36 118.35 1nlq n ILE 91 Ca 0.30 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.40 1nlq n ILE 91 Cb 0.50 -0.52 -0.13 0.00 -1.74 0.00 0.00 39.64 37.75 1nlq n ILE 91 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1nlq s LYS 92 N -3.10 0.16 0.00 6.28 -0.14 -1.21 -4.96 119.74 116.78 1nlq s LYS 92 Ca 0.10 0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 1nlq s LYS 92 Cb 0.13 0.08 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 1nlq s LYS 92 CO 0.61 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 1nlq n GLY 93 N 2.83 -0.26 0.09 -3.33 0.00 -1.14 -1.59 105.19 101.79 1nlq n GLY 93 Ca -0.14 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.23 1nlq n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nlq n SER 94 N -1.14 0.84 0.00 1.61 7.64 -1.26 -4.62 113.62 116.68 1nlq n SER 94 Ca 0.00 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1nlq n SER 94 Cb 0.00 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1nlq n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nlq n GLY 95 N 1.23 -0.22 3.79 0.23 0.00 -1.26 -1.90 105.19 107.06 1nlq n GLY 95 Ca 0.03 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1nlq n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nlq s PRO 96 N 0.00 3.35 -0.03 1.61 0.04 -1.26 -4.02 135.00 134.69 1nlq s PRO 96 Ca 0.00 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.45 1nlq s PRO 96 Cb 0.00 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1nlq s PRO 96 CO 0.00 -0.80 -0.16 0.08 0.04 0.00 0.00 177.00 176.16 1nlq s VAL 97 N -2.16 1.30 -0.10 -0.36 1.01 -0.26 -0.29 120.40 119.54 1nlq s VAL 97 Ca 0.67 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1nlq s VAL 97 Cb -0.19 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1nlq s VAL 97 CO 0.31 0.38 -0.09 -0.31 0.00 0.00 0.00 175.10 175.39 1nlq s TYR 98 N -0.03 2.88 -0.18 5.22 1.51 0.80 -0.64 117.35 126.91 1nlq s TYR 98 Ca -0.02 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1nlq s TYR 98 Cb -0.10 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1nlq s TYR 98 CO 0.01 0.09 -0.10 0.42 -1.11 0.00 0.00 175.55 174.86 1nlq s ILE 99 N -0.26 3.00 0.03 2.71 1.01 -0.14 -0.36 121.20 127.20 1nlq s ILE 99 Ca 0.03 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1nlq s ILE 99 Cb -0.13 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1nlq s ILE 99 CO 0.03 0.48 -0.25 -1.00 0.00 0.00 0.00 174.94 174.20 1nlq s HIS 100 N 1.05 2.36 -0.29 3.97 3.76 0.64 -1.58 115.29 125.19 1nlq s HIS 100 Ca -0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1nlq s HIS 100 Cb -0.15 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.12 1nlq s HIS 100 CO -0.02 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.40 1nlq n GLY 101 N 1.86 -0.87 3.57 -2.22 0.00 0.56 -0.70 105.19 107.37 1nlq n GLY 101 Ca -0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1nlq n GLY 101 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nlq s HIS 102 N -4.00 -0.39 -0.20 1.61 -3.43 -0.54 -0.40 115.29 107.95 1nlq s HIS 102 Ca 0.00 0.65 -0.15 0.00 -0.80 0.00 0.00 55.06 54.76 1nlq s HIS 102 Cb 0.00 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1nlq s HIS 102 CO 0.00 -0.38 0.34 1.21 -2.00 0.00 0.00 174.74 173.91 1nlq s ASN 103 N -1.22 6.39 -0.12 7.38 2.47 -0.29 -1.22 114.94 128.33 1nlq s ASN 103 Ca -0.02 0.45 0.02 0.00 0.42 0.00 0.00 52.86 53.73 1nlq s ASN 103 Cb -0.00 -2.20 0.01 0.00 -1.45 0.00 0.00 41.25 37.61 1nlq s ASN 103 CO 0.02 -0.02 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.57 1nlq s ILE 104 N 1.11 1.73 -2.28 -5.21 1.01 -0.27 -1.40 121.20 115.89 1nlq s ILE 104 Ca 0.17 -0.77 0.30 0.00 0.00 0.00 0.00 60.65 60.34 1nlq s ILE 104 Cb -0.14 -1.56 0.71 0.00 0.01 0.00 0.00 42.46 41.48 1nlq s ILE 104 CO 0.07 0.49 1.96 0.29 0.00 0.00 0.00 174.94 177.74