#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 0.61 0.33 1.62 1.04 -0.50 -4.99 113.70 111.81 1nlq s SER 5 Ca 0.00 -0.19 -0.28 0.00 0.48 0.00 0.00 55.95 55.96 1nlq s SER 5 Cb 0.00 -0.04 -0.09 0.00 0.10 0.00 0.00 66.02 65.99 1nlq s SER 5 CO 0.00 -0.01 1.10 0.12 0.98 0.00 0.00 173.24 175.44 1nlq s PHE 6 N -0.41 3.42 -0.19 5.02 5.36 -1.26 -0.69 117.98 129.22 1nlq s PHE 6 Ca -0.01 1.66 -0.02 0.00 -0.96 0.00 0.00 56.93 57.60 1nlq s PHE 6 Cb -0.04 -3.27 -0.00 0.00 -0.34 0.00 0.00 43.02 39.37 1nlq s PHE 6 CO -0.00 -0.71 -0.10 -0.47 -1.46 0.00 0.00 175.22 172.47 1nlq s TYR 7 N -1.31 2.88 -0.22 10.12 5.04 0.67 -4.81 117.35 129.71 1nlq s TYR 7 Ca 0.49 -1.10 -0.03 0.00 -2.44 0.00 0.00 57.07 53.99 1nlq s TYR 7 Cb -0.30 -2.01 0.11 0.00 0.35 0.00 0.00 41.96 40.11 1nlq s TYR 7 CO 0.38 -0.57 0.29 0.20 -1.34 0.00 0.00 175.55 174.50 1nlq s GLY 8 N 1.25 -0.17 0.10 8.97 0.00 -1.26 -0.94 107.32 115.28 1nlq s GLY 8 Ca 0.03 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.30 1nlq s GLY 8 CO -0.05 2.37 -0.16 -1.34 0.00 0.00 0.00 173.10 173.93 1nlq s VAL 9 N 2.41 1.37 -0.09 1.40 -7.23 -0.85 -4.98 120.40 112.43 1nlq s VAL 9 Ca 0.09 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1nlq s VAL 9 Cb -0.16 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1nlq s VAL 9 CO -0.14 -0.27 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.33 1nlq s THR 10 N -1.63 2.84 -0.05 5.32 2.01 -1.26 -0.92 115.64 121.95 1nlq s THR 10 Ca 0.05 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1nlq s THR 10 Cb -0.08 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1nlq s THR 10 CO 0.03 0.56 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.59 1nlq s LEU 11 N -0.13 2.56 0.27 4.42 1.43 0.07 -4.95 118.68 122.36 1nlq s LEU 11 Ca -0.02 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1nlq s LEU 11 Cb -0.14 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1nlq s LEU 11 CO 0.04 0.33 0.35 0.42 0.23 0.00 0.00 176.35 177.71 1nlq s THR 12 N -0.63 0.00 0.24 5.49 -4.23 -0.09 -1.03 115.64 115.40 1nlq s THR 12 Ca 0.09 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1nlq s THR 12 Cb -0.11 -2.47 0.23 0.00 1.34 0.00 0.00 72.50 71.49 1nlq s THR 12 CO 0.01 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.97 1nlq h ALA 13 N 2.30 1.22 -0.56 3.99 0.00 -1.68 -1.15 119.26 123.39 1nlq h ALA 13 Ca -0.30 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1nlq h ALA 13 Cb 1.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nlq h ALA 13 CO 0.42 0.66 -0.03 0.93 0.00 0.00 0.00 179.25 181.23 1nlq h GLU 14 N 1.30 0.98 -2.85 0.00 3.07 -1.96 -3.34 114.58 111.77 1nlq h GLU 14 Ca 0.34 -0.31 -0.61 0.00 -0.50 0.00 0.00 59.36 58.27 1nlq h GLU 14 Cb -0.05 -0.09 -0.40 0.00 -0.84 0.00 0.00 28.75 27.37 1nlq h GLU 14 CO -0.06 0.98 -0.74 -1.12 -1.40 0.00 0.00 179.01 176.67 1nlq s SER 15 N -6.62 3.46 -0.06 1.42 0.01 -0.99 -4.99 113.70 105.95 1nlq s SER 15 Ca -0.11 -3.23 0.10 0.00 1.31 0.00 0.00 55.95 54.03 1nlq s SER 15 Cb 0.14 -1.10 0.40 0.00 0.21 0.00 0.00 66.02 65.67 1nlq s SER 15 CO 0.85 -0.17 1.25 -0.90 0.41 0.00 0.00 173.24 174.68 1nlq n ASP 16 N 2.74 2.82 -3.70 2.44 5.75 -0.47 -0.91 116.55 125.22 1nlq n ASP 16 Ca 0.19 -2.23 -0.14 0.00 -0.01 0.00 0.00 54.79 52.61 1nlq n ASP 16 Cb 0.38 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 1nlq n ASP 16 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1nlq s SER 17 N -0.75 -0.51 -0.01 -1.12 0.15 -1.26 -0.89 113.70 109.31 1nlq s SER 17 Ca 0.29 0.94 -0.01 0.00 0.70 0.00 0.00 55.95 57.86 1nlq s SER 17 Cb 0.18 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 1nlq s SER 17 CO 0.14 -0.21 0.04 0.54 1.20 0.00 0.00 173.24 174.95 1nlq s VAL 18 N 0.10 0.01 -0.02 4.45 0.11 -0.42 -4.99 120.40 119.64 1nlq s VAL 18 Ca -0.01 -0.05 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1nlq s VAL 18 Cb -0.03 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1nlq s VAL 18 CO 0.01 -0.03 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.64 1nlq s THR 19 N -0.06 1.81 -0.20 5.04 2.01 -1.26 -0.68 115.64 122.29 1nlq s THR 19 Ca -0.01 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1nlq s THR 19 Cb -0.01 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1nlq s THR 19 CO 0.00 0.51 -0.06 0.86 -0.69 0.00 0.00 174.62 175.25 1nlq s TRP 20 N -0.52 2.94 -0.59 4.92 -0.00 0.12 -4.97 118.94 120.84 1nlq s TRP 20 Ca 0.08 -0.82 0.05 0.00 -0.00 0.00 0.00 56.10 55.42 1nlq s TRP 20 Cb -0.09 -2.05 0.17 0.00 -0.00 0.00 0.00 33.47 31.51 1nlq s TRP 20 CO -0.01 -0.43 0.45 -0.25 -0.00 0.00 0.00 176.95 176.71 1nlq n ASP 21 N 4.44 1.69 -3.81 5.86 9.92 -1.26 -1.18 116.55 132.22 1nlq n ASP 21 Ca -0.18 -2.90 -0.23 0.00 -0.53 0.00 0.00 54.79 50.95 1nlq n ASP 21 Cb 0.51 -0.68 -0.17 0.00 -0.64 0.00 0.00 41.12 40.14 1nlq n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1nlq s VAL 22 N -0.93 0.49 0.00 2.53 0.11 -1.26 -5.07 120.40 116.27 1nlq s VAL 22 Ca 0.29 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1nlq s VAL 22 Cb -0.00 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1nlq s VAL 22 CO -0.18 0.27 0.00 -2.11 -3.33 0.00 0.00 175.10 169.75 1nlq n ARG 28 N 4.95 0.00 -0.40 1.54 1.85 -1.26 -4.40 116.66 118.94 1nlq n ARG 28 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1nlq n ARG 28 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1nlq n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nlq n GLY 29 N 0.00 1.90 3.74 2.89 0.00 -1.26 -4.97 105.19 107.49 1nlq n GLY 29 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nlq n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nlq s GLN 30 N -0.05 4.15 0.05 1.61 -1.52 -1.26 -4.49 119.66 118.15 1nlq s GLN 30 Ca 0.00 2.53 0.05 0.00 -1.95 0.00 0.00 55.36 55.99 1nlq s GLN 30 Cb 0.00 -3.07 -0.02 0.00 -0.22 0.00 0.00 33.01 29.70 1nlq s GLN 30 CO 0.00 -0.64 -0.15 0.21 -0.25 0.00 0.00 175.29 174.46 1nlq s LYS 31 N 0.21 0.96 -0.22 2.91 2.20 0.68 -1.58 119.74 124.91 1nlq s LYS 31 Ca 0.67 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1nlq s LYS 31 Cb -0.47 -1.00 0.03 0.00 -1.51 0.00 0.00 37.83 34.88 1nlq s LYS 31 CO 0.41 0.24 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.34 1nlq s LEU 32 N -1.32 2.76 -0.20 5.43 2.96 0.14 -1.42 118.68 127.03 1nlq s LEU 32 Ca 0.02 -0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 1nlq s LEU 32 Cb -0.09 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1nlq s LEU 32 CO 0.02 -0.08 0.06 -0.69 -1.32 0.00 0.00 176.35 174.34 1nlq s VAL 33 N 1.28 4.57 -0.34 1.68 1.01 -0.45 -0.49 120.40 127.66 1nlq s VAL 33 Ca 0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1nlq s VAL 33 Cb -0.16 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1nlq s VAL 33 CO -0.08 0.42 0.18 -0.63 0.00 0.00 0.00 175.10 174.99 1nlq s ILE 34 N 0.81 4.62 -0.18 2.22 -1.09 0.09 -1.62 121.20 126.05 1nlq s ILE 34 Ca 0.03 -0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1nlq s ILE 34 Cb -0.14 -3.46 -0.22 0.00 -1.58 0.00 0.00 42.46 37.06 1nlq s ILE 34 CO 0.02 -0.08 0.13 0.29 -1.23 0.00 0.00 174.94 174.07 1nlq n LYS 35 N 5.00 0.71 -3.75 2.79 4.76 0.37 -1.34 118.16 126.69 1nlq n LYS 35 Ca -0.13 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1nlq n LYS 35 Cb 0.48 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 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 -2.54 0.49 -0.14 1.97 0.74 -0.87 -3.77 119.66 115.54 1nlq s GLN 36 Ca -0.27 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.44 1nlq s GLN 36 Cb 0.08 0.23 0.03 0.00 1.10 0.00 0.00 33.01 34.44 1nlq s GLN 36 CO 0.70 -0.09 -0.11 0.42 -0.55 0.00 0.00 175.29 175.66 1nlq s ILE 37 N -0.25 1.39 -0.03 -2.34 1.01 -0.60 0.08 121.20 120.46 1nlq s ILE 37 Ca -0.04 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1nlq s ILE 37 Cb -0.03 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1nlq s ILE 37 CO 0.02 0.39 -0.25 -0.22 0.00 0.00 0.00 174.94 174.87 1nlq s LEU 38 N 1.55 2.05 -0.08 2.97 2.96 0.26 -1.44 118.68 126.96 1nlq s LEU 38 Ca 0.04 -0.48 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 1nlq s LEU 38 Cb -0.13 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1nlq s LEU 38 CO -0.10 0.29 0.66 -0.22 -1.32 0.00 0.00 176.35 175.66 1nlq s LEU 39 N -0.43 4.31 0.61 -0.68 2.96 -0.03 -0.13 118.68 125.29 1nlq s LEU 39 Ca 0.05 1.12 -0.18 0.00 -0.22 0.00 0.00 54.13 54.90 1nlq s LEU 39 Cb -0.11 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1nlq s LEU 39 CO 0.01 -0.10 1.19 -0.83 -1.32 0.00 0.00 176.35 175.30 1nlq s GLY 40 N 0.77 2.60 0.51 7.98 0.00 0.66 -4.92 107.32 114.92 1nlq s GLY 40 Ca 0.35 0.91 0.16 0.00 0.00 0.00 0.00 44.72 46.15 1nlq s GLY 40 CO 0.17 1.29 2.14 0.00 0.00 0.00 0.00 173.10 176.70 1nlq h ALA 41 N 0.65 1.95 0.00 3.20 0.00 -1.96 -1.70 119.26 121.40 1nlq h ALA 41 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nlq h ALA 41 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nlq h ALA 41 CO 0.54 0.02 0.00 0.39 0.00 0.00 0.00 179.25 180.21 1nlq n GLU 42 N -4.49 0.36 -1.73 0.00 -0.58 -1.26 -4.88 120.64 108.06 1nlq n GLU 42 Ca -0.03 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 1nlq n GLU 42 Cb 0.11 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.32 1.86 -1.79 0.62 0.00 -0.64 -4.88 120.51 114.36 1nlq n ALA 43 Ca 0.13 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 1nlq n ALA 43 Cb 0.25 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 1nlq n ALA 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nlq s LYS 44 N -1.47 4.15 0.42 0.00 1.02 -1.26 -4.87 119.74 117.72 1nlq s LYS 44 Ca 0.58 2.52 -0.26 0.00 0.02 0.00 0.00 55.97 58.84 1nlq s LYS 44 Cb -0.54 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 33.61 1nlq s LYS 44 CO 0.58 -0.63 1.31 -1.91 -0.92 0.00 0.00 175.35 173.78 1nlq n GLU 45 N 2.92 2.04 -0.99 1.68 4.07 -1.26 -1.99 120.64 127.10 1nlq n GLU 45 Ca 0.11 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 1nlq n GLU 45 Cb 0.37 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 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 0.19 -5.46 -4.62 4.31 5.03 -0.90 -4.94 115.26 108.89 1nlq n ASN 46 Ca 0.06 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.12 1nlq n ASN 46 Cb 0.40 -3.09 -0.08 0.00 -1.02 0.00 0.00 39.78 35.98 1nlq n ASN 46 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nlq s GLU 47 N -1.72 4.05 0.11 3.52 2.12 -0.84 -4.96 118.70 120.97 1nlq s GLU 47 Ca 0.00 0.13 -0.31 0.00 0.36 0.00 0.00 54.97 55.16 1nlq s GLU 47 Cb 0.00 -3.64 -0.07 0.00 0.26 0.00 0.00 34.13 30.68 1nlq s GLU 47 CO 0.00 -0.27 1.26 -0.06 -0.54 0.00 0.00 175.26 175.65 1nlq s PHE 48 N 2.04 3.37 -0.22 5.30 0.40 -1.26 -4.31 117.98 123.30 1nlq s PHE 48 Ca 0.17 1.22 0.02 0.00 -0.60 0.00 0.00 56.93 57.74 1nlq s PHE 48 Cb -0.16 -3.51 0.04 0.00 0.51 0.00 0.00 43.02 39.91 1nlq s PHE 48 CO 0.09 -1.61 -0.15 -0.80 0.70 0.00 0.00 175.22 173.45 1nlq s ASN 49 N 0.87 3.74 -0.13 1.36 0.01 0.70 -3.25 114.94 118.24 1nlq s ASN 49 Ca 0.59 -1.01 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1nlq s ASN 49 Cb -0.32 -1.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 1nlq s ASN 49 CO 0.31 -0.10 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.96 1nlq s VAL 50 N 1.23 2.88 -0.19 1.60 1.01 -0.31 -0.38 120.40 126.24 1nlq s VAL 50 Ca -0.02 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1nlq s VAL 50 Cb -0.17 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1nlq s VAL 50 CO -0.09 0.53 0.00 -0.69 0.00 0.00 0.00 175.10 174.85 1nlq s VAL 51 N 0.44 4.01 -0.12 2.92 1.01 -0.37 -1.81 120.40 126.48 1nlq s VAL 51 Ca -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1nlq s VAL 51 Cb -0.16 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1nlq s VAL 51 CO 0.05 0.44 -0.00 -0.70 0.00 0.00 0.00 175.10 174.89 1nlq s GLU 52 N 0.87 3.36 -0.11 2.72 2.12 0.82 -0.31 118.70 128.17 1nlq s GLU 52 Ca 0.01 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 1nlq s GLU 52 Cb -0.14 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1nlq s GLU 52 CO 0.02 0.49 0.09 0.54 -0.54 0.00 0.00 175.26 175.85 1nlq s VAL 53 N -0.29 5.04 -0.02 3.70 0.11 -0.23 -0.82 120.40 127.89 1nlq s VAL 53 Ca 0.06 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 1nlq s VAL 53 Cb -0.12 -3.17 0.01 0.00 -1.53 0.00 0.00 36.38 31.56 1nlq s VAL 53 CO 0.02 0.61 -0.04 0.20 -3.33 0.00 0.00 175.10 172.56 1nlq s ASN 54 N -0.99 0.73 -0.17 3.54 -0.87 0.11 -2.07 114.94 115.23 1nlq s ASN 54 Ca 0.14 -0.10 -0.15 0.00 -1.57 0.00 0.00 52.86 51.19 1nlq s ASN 54 Cb -0.12 -0.23 0.04 0.00 -0.02 0.00 0.00 41.25 40.92 1nlq s ASN 54 CO 0.03 0.00 0.44 0.28 -2.57 0.00 0.00 177.10 175.28 1nlq s THR 55 N 0.42 -0.00 0.47 1.60 -1.32 -0.75 0.47 115.64 116.52 1nlq s THR 55 Ca -0.05 0.01 0.13 0.00 -1.21 0.00 0.00 61.69 60.57 1nlq s THR 55 Cb -0.09 -0.61 0.23 0.00 -1.51 0.00 0.00 72.50 70.52 1nlq s THR 55 CO -0.00 0.00 2.07 -0.65 -2.21 0.00 0.00 174.62 173.83 1nlq h PRO 56 N 5.61 0.11 -6.37 7.08 0.11 -1.87 -0.00 132.00 136.67 1nlq h PRO 56 Ca -0.28 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.28 1nlq h PRO 56 Cb 1.18 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.28 1nlq h PRO 56 CO 0.24 0.15 1.15 0.21 -0.21 0.00 0.00 178.00 179.54 1nlq s LYS 57 N -4.98 4.16 -2.15 1.05 2.20 -1.26 -1.32 119.74 117.44 1nlq s LYS 57 Ca -0.05 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 1nlq s LYS 57 Cb 0.17 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1nlq s LYS 57 CO 0.69 -0.89 0.00 -3.47 -0.36 0.00 0.00 175.35 171.33 1nlq n ASP 58 N 6.96 -5.44 -3.77 1.43 -0.08 -1.26 -3.34 116.55 111.05 1nlq n ASP 58 Ca 0.18 0.47 -0.28 0.00 -1.51 0.00 0.00 54.79 53.65 1nlq n ASP 58 Cb 0.41 -4.79 0.01 0.00 2.34 0.00 0.00 41.12 39.09 1nlq n ASP 58 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1nlq n SER 59 N -1.39 -5.04 -4.79 1.67 3.41 -0.43 -4.91 113.62 102.14 1nlq n SER 59 Ca -0.21 -0.96 -0.38 0.00 -0.26 0.00 0.00 58.87 57.06 1nlq n SER 59 Cb 0.68 -2.22 -0.06 0.00 -0.26 0.00 0.00 64.21 62.35 1nlq n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nlq s VAL 60 N -3.16 5.01 -0.29 -3.33 1.01 -0.02 -4.96 120.40 114.66 1nlq s VAL 60 Ca 0.17 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.13 1nlq s VAL 60 Cb -0.08 -3.80 0.19 0.00 0.00 0.00 0.00 36.38 32.70 1nlq s VAL 60 CO 0.90 0.49 0.64 -1.58 0.00 0.00 0.00 175.10 175.54 1nlq s GLN 61 N -0.49 0.53 -0.14 2.72 0.74 -1.24 -1.81 119.66 119.96 1nlq s GLN 61 Ca 0.26 0.70 -0.29 0.00 0.05 0.00 0.00 55.36 56.08 1nlq s GLN 61 Cb -0.17 0.36 0.09 0.00 1.10 0.00 0.00 33.01 34.38 1nlq s GLN 61 CO 0.14 -0.81 0.78 -1.50 -0.55 0.00 0.00 175.29 173.35 1nlq s ILE 62 N 2.85 0.00 0.33 -2.34 2.07 -0.88 -4.99 121.20 118.25 1nlq s ILE 62 Ca 0.15 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.10 1nlq s ILE 62 Cb -0.12 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.37 1nlq s ILE 62 CO -0.23 0.00 1.31 -2.84 -1.91 0.00 0.00 174.94 171.26 1nlq s PRO 63 N -0.70 4.36 0.00 3.50 0.02 -1.26 -1.07 135.00 139.85 1nlq s PRO 63 Ca -0.06 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.19 1nlq s PRO 63 Cb -0.02 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1nlq s PRO 63 CO 0.05 -0.19 0.34 0.44 -0.33 0.00 0.00 177.00 177.31 1nlq n ILE 64 N 0.81 0.00 -3.69 2.83 -5.35 0.57 -4.86 119.36 109.68 1nlq n ILE 64 Ca 0.00 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 61.89 1nlq n ILE 64 Cb 0.42 1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 39.24 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 -0.51 -1.27 -0.18 -1.28 0.00 -1.16 -4.83 121.76 112.53 1nlq s ALA 65 Ca 0.01 1.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 1nlq s ALA 65 Cb 0.01 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.17 1nlq s ALA 65 CO 0.03 -0.28 -0.04 0.08 0.00 0.00 0.00 175.76 175.54 1nlq s VAL 66 N 1.16 1.12 0.18 0.00 1.01 -1.26 -1.24 120.40 121.37 1nlq s VAL 66 Ca -0.07 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1nlq s VAL 66 Cb -0.06 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1nlq s VAL 66 CO -0.11 0.05 -0.18 -0.76 0.00 0.00 0.00 175.10 174.10 1nlq s LEU 67 N 1.62 2.46 -0.30 3.92 1.43 0.49 -4.92 118.68 123.39 1nlq s LEU 67 Ca -0.01 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1nlq s LEU 67 Cb -0.16 -0.84 0.14 0.00 0.03 0.00 0.00 46.19 45.36 1nlq s LEU 67 CO -0.07 -0.04 0.79 -0.75 0.23 0.00 0.00 176.35 176.51 1nlq s LYS 68 N -2.95 0.46 -0.05 1.70 2.20 -0.25 -0.21 119.74 120.63 1nlq s LYS 68 Ca 0.18 1.15 -0.35 0.00 -0.36 0.00 0.00 55.97 56.59 1nlq s LYS 68 Cb -0.05 0.68 -0.13 0.00 -1.51 0.00 0.00 37.83 36.82 1nlq s LYS 68 CO 0.07 -0.16 1.80 0.00 -0.36 0.00 0.00 175.35 176.71 1nlq n ALA 69 N 5.21 0.82 0.00 3.13 0.00 -1.26 -0.68 120.51 127.73 1nlq n ALA 69 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1nlq n ALA 69 Cb 0.51 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 4.15 1.73 1.46 0.00 0.00 -1.26 -2.11 105.19 109.17 1nlq n GLY 70 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.42 0.00 -3.81 1.61 2.13 0.15 -5.06 120.64 114.24 1nlq n GLU 71 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1nlq n GLU 71 Cb 0.00 -0.28 -0.16 0.00 0.27 0.00 0.00 31.44 31.26 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 0.81 -0.07 6.31 2.01 -0.18 -4.97 115.64 117.56 1nlq s THR 72 Ca 0.00 -0.59 0.14 0.00 0.31 0.00 0.00 61.69 61.55 1nlq s THR 72 Cb 0.00 -1.15 -0.17 0.00 0.01 0.00 0.00 72.50 71.18 1nlq s THR 72 CO 0.00 -0.04 0.83 -0.09 -0.69 0.00 0.00 174.62 174.62 1nlq h ARG 73 N 8.18 0.00 -2.95 4.92 9.65 -1.94 -0.63 114.38 131.60 1nlq h ARG 73 Ca -0.19 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1nlq h ARG 73 Cb 1.11 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.58 1nlq h ARG 73 CO 0.36 0.45 0.23 0.00 2.80 0.00 0.00 179.97 183.81 1nlq s ALA 74 N -2.76 -1.58 0.10 2.80 0.00 -1.26 -0.85 121.76 118.21 1nlq s ALA 74 Ca -0.03 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1nlq s ALA 74 Cb 0.08 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1nlq s ALA 74 CO 0.81 -0.79 -0.08 0.14 0.00 0.00 0.00 175.76 175.85 1nlq s VAL 75 N -3.72 0.83 -0.53 0.00 -7.23 -0.52 -5.01 120.40 104.22 1nlq s VAL 75 Ca 0.02 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1nlq s VAL 75 Cb -0.01 -1.59 0.16 0.00 0.56 0.00 0.00 36.38 35.49 1nlq s VAL 75 CO -0.11 -0.76 0.36 0.20 -0.31 0.00 0.00 175.10 174.48 1nlq s ASN 76 N -2.87 3.58 0.26 4.85 0.01 -1.26 -1.56 114.94 117.94 1nlq s ASN 76 Ca 0.10 -3.20 -0.05 0.00 -0.71 0.00 0.00 52.86 49.00 1nlq s ASN 76 Cb 0.02 -1.15 0.29 0.00 0.41 0.00 0.00 41.25 40.82 1nlq s ASN 76 CO -0.02 -0.18 1.93 -0.65 -1.51 0.00 0.00 177.10 176.67 1nlq h PRO 77 N 5.97 1.29 -6.49 -0.60 0.11 -1.78 -3.47 132.00 127.04 1nlq h PRO 77 Ca 0.11 -0.08 -0.50 0.00 0.11 0.00 0.00 66.00 65.64 1nlq h PRO 77 Cb 0.86 -0.29 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 1nlq h PRO 77 CO 0.55 0.86 -0.88 -3.47 -0.21 0.00 0.00 178.00 174.85 1nlq n ASP 78 N -4.38 -0.46 -4.65 -2.05 2.03 -0.45 -4.98 116.55 101.61 1nlq n ASP 78 Ca 0.11 -1.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.19 1nlq n ASP 78 Cb 0.02 -3.09 -0.08 0.00 -0.72 0.00 0.00 41.12 37.25 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 -3.93 2.97 0.03 5.18 -7.23 -1.04 -4.95 120.40 111.44 1nlq s VAL 79 Ca 0.03 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1nlq s VAL 79 Cb -0.02 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1nlq s VAL 79 CO 0.89 -0.26 -0.04 -1.83 -0.31 0.00 0.00 175.10 173.54 1nlq s GLU 80 N -3.72 0.44 -0.10 4.82 -1.05 -1.26 -0.73 118.70 117.09 1nlq s GLU 80 Ca 0.34 -0.80 0.02 0.00 -0.15 0.00 0.00 54.97 54.38 1nlq s GLU 80 Cb -0.03 0.05 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 1nlq s GLU 80 CO 0.20 -0.05 -0.16 -0.06 0.95 0.00 0.00 175.26 176.14 1nlq s PHE 81 N -2.09 1.99 -0.10 4.83 0.40 0.36 -4.97 117.98 118.39 1nlq s PHE 81 Ca -0.09 -0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 55.36 1nlq s PHE 81 Cb -0.05 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1nlq s PHE 81 CO -0.03 -0.42 -0.03 -0.47 0.70 0.00 0.00 175.22 174.97 1nlq s TYR 82 N 0.77 3.04 -0.44 0.36 5.04 -1.26 -0.68 117.35 124.18 1nlq s TYR 82 Ca -0.11 -0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.44 1nlq s TYR 82 Cb -0.16 -1.82 0.01 0.00 0.35 0.00 0.00 41.96 40.34 1nlq s TYR 82 CO 0.02 0.25 0.36 -0.85 -1.34 0.00 0.00 175.55 173.99 1nlq n GLU 83 N 2.65 -0.95 0.00 4.97 0.28 -0.62 -4.93 120.64 122.04 1nlq n GLU 83 Ca -0.18 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1nlq n GLU 83 Cb 0.53 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.14 1nlq n GLU 83 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1nlq n SER 84 N -1.00 0.00 -4.78 -1.84 3.41 -1.26 -5.02 113.62 103.13 1nlq n SER 84 Ca -0.16 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.08 1nlq n SER 84 Cb 0.41 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1nlq n SER 84 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nlq s LYS 85 N -1.66 4.20 -0.02 4.33 -2.85 -1.26 -4.74 119.74 117.74 1nlq s LYS 85 Ca 0.00 1.50 0.02 0.00 -1.00 0.00 0.00 55.97 56.49 1nlq s LYS 85 Cb 0.00 -2.57 0.01 0.00 -2.06 0.00 0.00 37.83 33.21 1nlq s LYS 85 CO 0.00 -0.10 -0.06 0.08 0.10 0.00 0.00 175.35 175.37 1nlq s VAL 86 N -1.65 0.54 -0.10 1.79 1.01 -0.32 -3.99 120.40 117.68 1nlq s VAL 86 Ca 0.57 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1nlq s VAL 86 Cb -0.22 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1nlq s VAL 86 CO 0.27 0.19 -0.23 -0.89 0.00 0.00 0.00 175.10 174.45 1nlq s THR 87 N 0.37 1.97 -0.17 3.92 2.01 0.18 0.14 115.64 124.05 1nlq s THR 87 Ca -0.05 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1nlq s THR 87 Cb -0.09 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1nlq s THR 87 CO 0.00 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.09 1nlq s PHE 88 N 0.43 3.05 -0.03 4.92 0.40 0.14 0.04 117.98 126.93 1nlq s PHE 88 Ca -0.17 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1nlq s PHE 88 Cb -0.17 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.35 1nlq s PHE 88 CO 0.07 -0.08 -0.12 0.21 0.70 0.00 0.00 175.22 176.00 1nlq s LYS 89 N 0.55 1.24 -0.95 0.44 2.20 0.00 -1.30 119.74 121.91 1nlq s LYS 89 Ca -0.02 -0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 54.98 1nlq s LYS 89 Cb -0.14 -1.12 0.10 0.00 -1.51 0.00 0.00 37.83 35.16 1nlq s LYS 89 CO 0.02 0.16 1.23 -1.17 -0.36 0.00 0.00 175.35 175.24 1nlq s LEU 90 N 0.13 4.51 0.06 5.43 2.96 -0.07 -0.12 118.68 131.57 1nlq s LEU 90 Ca -0.03 -1.81 0.28 0.00 -0.22 0.00 0.00 54.13 52.34 1nlq s LEU 90 Cb -0.09 -2.46 1.00 0.00 0.50 0.00 0.00 46.19 45.14 1nlq s LEU 90 CO 0.01 -1.23 1.80 2.30 -1.32 0.00 0.00 176.35 177.91 1nlq n ILE 91 N 5.98 0.16 -3.73 6.68 -5.35 -0.75 -4.77 119.36 117.58 1nlq n ILE 91 Ca 0.26 -0.08 -0.12 0.00 -0.27 0.00 0.00 62.75 62.54 1nlq n ILE 91 Cb 0.50 -0.41 -0.12 0.00 -1.74 0.00 0.00 39.64 37.86 1nlq n ILE 91 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1nlq s LYS 92 N -3.03 0.28 0.00 6.28 2.20 -1.21 -4.96 119.74 119.30 1nlq s LYS 92 Ca 0.12 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1nlq s LYS 92 Cb 0.17 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1nlq s LYS 92 CO 0.58 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 1nlq n GLY 93 N 3.94 1.16 0.53 5.54 0.00 -1.20 -1.16 105.19 114.00 1nlq n GLY 93 Ca -0.22 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.31 2.13 0.00 1.61 7.64 -1.26 -4.55 113.62 118.88 1nlq n SER 94 Ca 0.00 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.32 1nlq n SER 94 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.72 0.38 3.79 0.23 0.00 -1.26 -2.20 105.19 106.85 1nlq n GLY 95 Ca 0.08 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 3.43 -0.03 1.61 0.04 -1.26 -4.10 135.00 134.69 1nlq s PRO 96 Ca 0.00 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.47 1nlq s PRO 96 Cb 0.00 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1nlq s PRO 96 CO 0.00 -0.75 -0.15 0.08 0.04 0.00 0.00 177.00 176.23 1nlq s VAL 97 N -2.10 1.21 -0.08 -0.36 1.01 -0.19 -0.25 120.40 119.64 1nlq s VAL 97 Ca 0.68 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1nlq s VAL 97 Cb -0.19 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1nlq s VAL 97 CO 0.29 0.35 -0.09 -0.31 0.00 0.00 0.00 175.10 175.35 1nlq s TYR 98 N -0.04 2.89 -0.17 5.22 1.51 0.82 -0.75 117.35 126.83 1nlq s TYR 98 Ca -0.01 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1nlq s TYR 98 Cb -0.09 -1.73 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1nlq s TYR 98 CO 0.01 0.22 -0.13 0.42 -1.11 0.00 0.00 175.55 174.96 1nlq s ILE 99 N -0.57 2.86 0.03 2.71 1.01 -0.10 -0.57 121.20 126.57 1nlq s ILE 99 Ca 0.08 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1nlq s ILE 99 Cb -0.12 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1nlq s ILE 99 CO 0.02 0.50 -0.26 -1.00 0.00 0.00 0.00 174.94 174.20 1nlq s HIS 100 N 0.90 2.30 -0.57 3.97 3.76 0.11 -2.02 115.29 123.75 1nlq s HIS 100 Ca -0.03 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1nlq s HIS 100 Cb -0.15 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1nlq s HIS 100 CO -0.01 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 1nlq n GLY 101 N 1.89 -0.72 3.31 -2.22 0.00 -0.12 -0.48 105.19 106.86 1nlq n GLY 101 Ca -0.17 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.72 -0.21 -0.20 1.61 -3.43 -0.64 -0.24 115.29 108.45 1nlq s HIS 102 Ca 0.00 0.03 -0.04 0.00 -0.80 0.00 0.00 55.06 54.25 1nlq s HIS 102 Cb 0.00 0.22 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 1nlq s HIS 102 CO 0.00 -0.63 -0.04 1.21 -2.00 0.00 0.00 174.74 173.29 1nlq s ASN 103 N -2.41 4.48 0.01 7.38 3.04 0.13 -1.34 114.94 126.23 1nlq s ASN 103 Ca -0.01 -0.30 0.02 0.00 0.04 0.00 0.00 52.86 52.60 1nlq s ASN 103 Cb 0.01 -1.76 -0.01 0.00 -1.54 0.00 0.00 41.25 37.95 1nlq s ASN 103 CO -0.07 0.04 -0.06 0.27 -3.04 0.00 0.00 177.10 174.23 1nlq s ILE 104 N 1.13 0.48 -0.92 -5.21 -4.36 -0.50 0.25 121.20 112.06 1nlq s ILE 104 Ca 0.02 -0.52 0.07 0.00 -0.26 0.00 0.00 60.65 59.96 1nlq s ILE 104 Cb -0.15 -0.45 0.06 0.00 1.25 0.00 0.00 42.46 43.17 1nlq s ILE 104 CO -0.00 -0.04 0.73 0.29 0.24 0.00 0.00 174.94 176.16