#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 -0.57 0.28 1.62 1.04 -1.00 -5.00 113.70 110.07 1nlq s SER 5 Ca 0.00 1.09 -0.29 0.00 0.48 0.00 0.00 55.95 57.23 1nlq s SER 5 Cb 0.00 1.09 -0.10 0.00 0.10 0.00 0.00 66.02 67.12 1nlq s SER 5 CO 0.00 -0.19 1.18 0.12 0.98 0.00 0.00 173.24 175.33 1nlq s PHE 6 N 0.39 3.40 -0.17 5.02 5.36 -1.26 -1.23 117.98 129.48 1nlq s PHE 6 Ca -0.01 1.57 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 1nlq s PHE 6 Cb -0.04 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 1nlq s PHE 6 CO -0.01 -1.05 -0.14 -0.47 -1.46 0.00 0.00 175.22 172.09 1nlq s TYR 7 N -0.96 2.82 -0.23 10.12 5.04 -0.05 -4.85 117.35 129.23 1nlq s TYR 7 Ca 0.47 -1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 53.94 1nlq s TYR 7 Cb -0.34 -1.94 0.12 0.00 0.35 0.00 0.00 41.96 40.14 1nlq s TYR 7 CO 0.44 -0.55 0.30 0.20 -1.34 0.00 0.00 175.55 174.60 1nlq s GLY 8 N 1.05 -0.21 0.13 8.97 0.00 -1.25 -0.85 107.32 115.16 1nlq s GLY 8 Ca -0.01 0.49 0.08 0.00 0.00 0.00 0.00 44.72 45.27 1nlq s GLY 8 CO -0.03 2.46 -0.18 -1.34 0.00 0.00 0.00 173.10 174.01 1nlq s VAL 9 N 2.43 1.61 -0.05 1.40 -7.23 -0.57 -4.97 120.40 113.02 1nlq s VAL 9 Ca 0.10 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1nlq s VAL 9 Cb -0.15 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1nlq s VAL 9 CO -0.16 -0.25 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.31 1nlq s THR 10 N -1.74 2.82 -0.03 5.32 2.01 -1.26 -0.56 115.64 122.19 1nlq s THR 10 Ca 0.10 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.37 1nlq s THR 10 Cb -0.07 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1nlq s THR 10 CO 0.05 0.58 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.54 1nlq s LEU 11 N -0.55 2.05 0.28 4.42 1.43 0.24 -4.92 118.68 121.64 1nlq s LEU 11 Ca 0.08 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1nlq s LEU 11 Cb -0.11 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1nlq s LEU 11 CO 0.01 0.30 0.36 0.42 0.23 0.00 0.00 176.35 177.67 1nlq s THR 12 N -0.48 0.00 0.36 5.49 -4.23 -0.17 -0.92 115.64 115.69 1nlq s THR 12 Ca 0.06 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 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 0.00 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.05 1nlq h ALA 13 N 2.27 1.52 -0.11 3.99 0.00 -1.62 -0.55 119.26 124.77 1nlq h ALA 13 Ca -0.29 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 1nlq h ALA 13 Cb 1.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nlq h ALA 13 CO 0.41 0.38 -0.78 1.49 0.00 0.00 0.00 179.25 180.75 1nlq h GLU 14 N 0.63 0.61 -2.55 0.00 4.81 -1.96 -3.35 114.58 112.76 1nlq h GLU 14 Ca 0.16 -0.51 -0.60 0.00 -0.13 0.00 0.00 59.36 58.28 1nlq h GLU 14 Cb 0.08 0.11 -0.41 0.00 0.63 0.00 0.00 28.75 29.16 1nlq h GLU 14 CO -0.02 1.13 -0.72 0.45 -0.73 0.00 0.00 179.01 179.12 1nlq n SER 15 N -3.88 2.22 -1.37 1.04 2.88 -0.96 -4.96 113.62 108.59 1nlq n SER 15 Ca -0.06 -3.06 -0.01 0.00 -1.33 0.00 0.00 58.87 54.41 1nlq n SER 15 Cb 0.74 -0.68 0.18 0.00 -0.75 0.00 0.00 64.21 63.71 1nlq n SER 15 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nlq n ASP 16 N 1.73 3.52 -3.75 -3.46 3.85 -0.26 -1.00 116.55 117.19 1nlq n ASP 16 Ca 0.25 -2.61 -0.13 0.00 -0.71 0.00 0.00 54.79 51.59 1nlq n ASP 16 Cb 0.41 -0.63 -0.10 0.00 -1.35 0.00 0.00 41.12 39.46 1nlq n ASP 16 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1nlq s SER 17 N -0.37 -0.31 -0.07 -1.12 0.15 -1.26 -2.09 113.70 108.64 1nlq s SER 17 Ca 0.30 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.36 1nlq s SER 17 Cb 0.23 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1nlq s SER 17 CO 0.08 -0.27 0.17 0.54 1.20 0.00 0.00 173.24 174.95 1nlq s VAL 18 N -0.48 -0.02 -0.05 4.45 0.11 -0.69 -5.01 120.40 118.71 1nlq s VAL 18 Ca -0.06 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1nlq s VAL 18 Cb -0.04 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1nlq s VAL 18 CO 0.02 0.03 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.71 1nlq s THR 19 N 0.60 1.89 -0.48 5.04 2.01 -1.26 -0.95 115.64 122.49 1nlq s THR 19 Ca -0.04 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 1nlq s THR 19 Cb -0.06 -1.60 0.13 0.00 0.01 0.00 0.00 72.50 70.98 1nlq s THR 19 CO -0.03 0.53 0.31 0.86 -0.69 0.00 0.00 174.62 175.60 1nlq s TRP 20 N -0.14 3.51 -0.33 4.92 -0.00 0.92 -5.00 118.94 122.81 1nlq s TRP 20 Ca -0.03 -2.25 -0.01 0.00 -0.00 0.00 0.00 56.10 53.81 1nlq s TRP 20 Cb -0.13 -3.34 0.11 0.00 -0.00 0.00 0.00 33.47 30.11 1nlq s TRP 20 CO 0.03 -0.96 0.14 0.34 -0.00 0.00 0.00 176.95 176.49 1nlq s ASP 21 N 1.97 3.80 0.00 5.86 3.68 -1.26 -1.47 116.67 129.26 1nlq s ASP 21 Ca 0.09 -1.80 0.00 0.00 2.13 0.00 0.00 52.55 52.97 1nlq s ASP 21 Cb -0.23 -0.78 0.00 0.00 -1.45 0.00 0.00 42.92 40.46 1nlq s ASP 21 CO -0.03 -0.39 0.00 0.61 0.13 0.00 0.00 175.17 175.50 1nlq n GLY 29 N 4.62 0.00 3.69 2.66 0.00 -1.26 -5.11 105.19 109.79 1nlq n GLY 29 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1nlq n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nlq n GLN 30 N 0.00 2.38 -3.76 1.61 1.13 -1.26 -4.85 117.38 112.64 1nlq n GLN 30 Ca 0.00 0.86 -0.13 0.00 -1.94 0.00 0.00 57.00 55.79 1nlq n GLN 30 Cb 0.00 -2.64 -0.08 0.00 0.11 0.00 0.00 30.24 27.62 1nlq n GLN 30 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1nlq s LYS 31 N 0.80 0.71 -0.15 -1.09 2.20 -0.89 -0.26 119.74 121.06 1nlq s LYS 31 Ca 0.76 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 1nlq s LYS 31 Cb -0.61 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.04 1nlq s LYS 31 CO 0.38 -0.20 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.83 1nlq s LEU 32 N -1.53 1.82 -0.22 5.43 2.96 0.02 -1.03 118.68 126.14 1nlq s LEU 32 Ca -0.11 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.21 1nlq s LEU 32 Cb -0.04 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1nlq s LEU 32 CO 0.02 -0.02 0.05 -0.69 -1.32 0.00 0.00 176.35 174.39 1nlq s VAL 33 N 1.29 4.33 -0.39 1.68 1.01 0.32 -0.54 120.40 128.11 1nlq s VAL 33 Ca 0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1nlq s VAL 33 Cb -0.13 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1nlq s VAL 33 CO -0.09 0.39 0.26 -0.63 0.00 0.00 0.00 175.10 175.03 1nlq s ILE 34 N 1.18 5.05 -0.12 2.22 -1.09 0.44 -1.28 121.20 127.61 1nlq s ILE 34 Ca 0.04 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1nlq s ILE 34 Cb -0.14 -3.77 -0.25 0.00 -1.58 0.00 0.00 42.46 36.72 1nlq s ILE 34 CO 0.03 -0.23 0.37 0.29 -1.23 0.00 0.00 174.94 174.17 1nlq n LYS 35 N 5.10 0.72 -3.75 2.79 4.76 0.33 -1.04 118.16 127.07 1nlq n LYS 35 Ca -0.12 0.25 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1nlq n LYS 35 Cb 0.47 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.56 0.54 -0.15 1.97 0.74 -0.83 -3.85 119.66 115.51 1nlq s GLN 36 Ca -0.19 0.20 -0.00 0.00 0.05 0.00 0.00 55.36 55.41 1nlq s GLN 36 Cb 0.07 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.46 1nlq s GLN 36 CO 0.77 -0.11 -0.07 0.42 -0.55 0.00 0.00 175.29 175.75 1nlq s ILE 37 N -0.48 1.16 -0.04 -2.34 1.01 -0.73 -0.37 121.20 119.41 1nlq s ILE 37 Ca -0.06 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1nlq s ILE 37 Cb -0.04 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 1nlq s ILE 37 CO 0.02 0.23 -0.23 -0.22 0.00 0.00 0.00 174.94 174.75 1nlq s LEU 38 N 1.63 2.20 -0.08 2.97 2.96 0.12 -1.71 118.68 126.76 1nlq s LEU 38 Ca 0.02 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.28 1nlq s LEU 38 Cb -0.14 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1nlq s LEU 38 CO -0.08 0.29 0.66 -0.22 -1.32 0.00 0.00 176.35 175.68 1nlq s LEU 39 N -0.43 4.30 0.63 -0.68 2.96 -0.08 -0.32 118.68 125.06 1nlq s LEU 39 Ca 0.05 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.90 1nlq s LEU 39 Cb -0.12 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1nlq s LEU 39 CO 0.01 -0.11 1.15 -0.83 -1.32 0.00 0.00 176.35 175.26 1nlq s GLY 40 N 0.79 2.42 0.44 7.98 0.00 0.73 -4.94 107.32 114.74 1nlq s GLY 40 Ca 0.35 0.77 0.12 0.00 0.00 0.00 0.00 44.72 45.96 1nlq s GLY 40 CO 0.16 1.14 2.03 0.00 0.00 0.00 0.00 173.10 176.43 1nlq h ALA 41 N 0.41 1.93 -0.00 3.20 0.00 -1.96 -1.74 119.26 121.10 1nlq h ALA 41 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nlq h ALA 41 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nlq h ALA 41 CO 0.54 -0.01 -0.01 -0.85 0.00 0.00 0.00 179.25 178.92 1nlq n GLU 42 N -4.48 0.94 -1.73 0.00 0.28 -1.26 -4.88 120.64 109.51 1nlq n GLU 42 Ca 0.06 -0.11 -0.42 0.00 -0.16 0.00 0.00 57.16 56.52 1nlq n GLU 42 Cb 0.23 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.59 1nlq n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nlq n ALA 43 N -0.93 2.52 -1.68 -1.84 0.00 -0.66 -4.86 120.51 113.07 1nlq n ALA 43 Ca 0.21 0.38 -0.45 0.00 0.00 0.00 0.00 53.44 53.58 1nlq n ALA 43 Cb 0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.11 1nlq n ALA 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nlq n LYS 44 N 2.61 2.37 -1.69 0.00 4.81 -1.26 -4.85 118.16 120.13 1nlq n LYS 44 Ca 0.11 0.86 -0.44 0.00 -0.87 0.00 0.00 58.31 57.97 1nlq n LYS 44 Cb 0.36 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.71 1nlq n LYS 44 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1nlq n GLU 45 N 4.58 2.27 -0.97 1.64 4.07 -1.26 -1.32 120.64 129.65 1nlq n GLU 45 Ca 0.18 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 58.09 1nlq n GLU 45 Cb 0.31 -2.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 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 2.33 -3.33 -4.64 4.31 5.03 -0.72 -4.95 115.26 113.30 1nlq n ASN 46 Ca 0.11 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.18 1nlq n ASN 46 Cb 0.33 -1.43 -0.08 0.00 -1.02 0.00 0.00 39.78 37.58 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 -0.64 4.10 0.10 3.52 2.12 -0.44 -4.93 118.70 122.55 1nlq s GLU 47 Ca 0.00 0.16 -0.31 0.00 0.36 0.00 0.00 54.97 55.18 1nlq s GLU 47 Cb 0.00 -3.59 -0.07 0.00 0.26 0.00 0.00 34.13 30.72 1nlq s GLU 47 CO 0.00 -0.16 1.33 -0.06 -0.54 0.00 0.00 175.26 175.82 1nlq s PHE 48 N 1.71 3.30 -0.18 5.30 0.40 -1.26 -4.27 117.98 122.98 1nlq s PHE 48 Ca 0.18 1.07 0.01 0.00 -0.60 0.00 0.00 56.93 57.59 1nlq s PHE 48 Cb -0.15 -3.60 0.03 0.00 0.51 0.00 0.00 43.02 39.81 1nlq s PHE 48 CO 0.09 -2.02 -0.17 -0.80 0.70 0.00 0.00 175.22 173.02 1nlq s ASN 49 N 1.04 3.20 -0.14 1.36 0.01 0.16 -2.95 114.94 117.61 1nlq s ASN 49 Ca 0.62 -0.72 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 1nlq s ASN 49 Cb -0.35 -1.39 0.01 0.00 0.41 0.00 0.00 41.25 39.93 1nlq s ASN 49 CO 0.30 -0.05 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.96 1nlq s VAL 50 N 1.33 2.27 -0.22 1.60 1.01 -0.13 -0.54 120.40 125.71 1nlq s VAL 50 Ca 0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1nlq s VAL 50 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1nlq s VAL 50 CO -0.11 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1nlq s VAL 51 N 0.78 4.32 -0.12 2.92 1.01 -0.37 -1.63 120.40 127.32 1nlq s VAL 51 Ca -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1nlq s VAL 51 Cb -0.16 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1nlq s VAL 51 CO -0.01 0.39 0.01 -0.70 0.00 0.00 0.00 175.10 174.79 1nlq s GLU 52 N 1.19 3.38 -0.08 2.72 2.12 0.71 -0.07 118.70 128.67 1nlq s GLU 52 Ca 0.04 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 54.94 1nlq s GLU 52 Cb -0.14 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1nlq s GLU 52 CO 0.03 0.51 0.03 0.54 -0.54 0.00 0.00 175.26 175.83 1nlq s VAL 53 N -0.33 4.54 -0.13 3.70 0.11 -0.28 -0.64 120.40 127.37 1nlq s VAL 53 Ca 0.07 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1nlq s VAL 53 Cb -0.12 -2.95 0.03 0.00 -1.53 0.00 0.00 36.38 31.81 1nlq s VAL 53 CO 0.02 0.56 -0.06 0.21 -3.33 0.00 0.00 175.10 172.50 1nlq s ASN 54 N -1.05 2.37 -0.28 3.54 3.84 0.18 -1.60 114.94 121.94 1nlq s ASN 54 Ca 0.15 -0.41 0.01 0.00 0.21 0.00 0.00 52.86 52.81 1nlq s ASN 54 Cb -0.12 -0.84 0.08 0.00 -0.55 0.00 0.00 41.25 39.83 1nlq s ASN 54 CO 0.04 -0.15 0.03 0.28 -2.79 0.00 0.00 177.10 174.52 1nlq s THR 55 N 1.70 1.41 0.21 -5.21 -1.32 0.10 -1.81 115.64 110.72 1nlq s THR 55 Ca 0.04 -1.51 -0.10 0.00 -1.21 0.00 0.00 61.69 58.90 1nlq s THR 55 Cb -0.13 -1.91 0.15 0.00 -1.51 0.00 0.00 72.50 69.09 1nlq s THR 55 CO -0.08 -0.43 1.72 1.55 -2.21 0.00 0.00 174.62 175.17 1nlq h PRO 56 N 7.94 0.28 -0.67 7.08 0.13 -1.82 -1.98 132.00 142.95 1nlq h PRO 56 Ca -0.13 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.13 1nlq h PRO 56 Cb 1.04 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 31.99 1nlq h PRO 56 CO 0.45 0.19 -0.07 -0.22 -0.23 0.00 0.00 178.00 178.12 1nlq h LYS 57 N 0.29 0.06 -0.50 0.86 3.64 -1.96 -0.08 116.57 118.87 1nlq h LYS 57 Ca 0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1nlq h LYS 57 Cb 0.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1nlq h LYS 57 CO -0.36 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 176.60 1nlq n ASP 58 N -5.37 3.36 -3.73 4.20 8.00 -1.14 -4.95 116.55 116.91 1nlq n ASP 58 Ca 0.10 -1.97 -0.22 0.00 0.71 0.00 0.00 54.79 53.40 1nlq n ASP 58 Cb 0.38 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.38 -1.33 -4.18 -2.24 7.64 -0.05 -4.99 113.62 109.85 1nlq n SER 59 Ca 0.21 -0.83 -0.29 0.00 1.01 0.00 0.00 58.87 58.96 1nlq n SER 59 Cb 0.56 -3.97 -0.16 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.67 1.74 -0.20 0.44 1.01 -0.98 -5.02 120.40 113.71 1nlq s VAL 60 Ca 0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1nlq s VAL 60 Cb -0.02 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.93 1nlq s VAL 60 CO 0.82 0.49 0.08 -1.58 0.00 0.00 0.00 175.10 174.91 1nlq s GLN 61 N 0.13 0.28 -0.08 2.72 0.74 -1.25 -0.72 119.66 121.47 1nlq s GLN 61 Ca -0.09 -0.30 -0.27 0.00 0.05 0.00 0.00 55.36 54.75 1nlq s GLN 61 Cb -0.14 -1.81 0.06 0.00 1.10 0.00 0.00 33.01 32.22 1nlq s GLN 61 CO 0.05 -0.74 0.61 -1.50 -0.55 0.00 0.00 175.29 173.16 1nlq s ILE 62 N 2.03 0.01 0.30 -2.34 2.07 -0.63 -4.97 121.20 117.67 1nlq s ILE 62 Ca 0.03 -0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 58.90 1nlq s ILE 62 Cb -0.16 -0.92 -0.10 0.00 0.13 0.00 0.00 42.46 41.41 1nlq s ILE 62 CO -0.14 -0.04 1.42 -2.84 -1.91 0.00 0.00 174.94 171.43 1nlq s PRO 63 N -0.89 4.26 -0.00 3.50 0.02 -1.26 -1.12 135.00 139.50 1nlq s PRO 63 Ca -0.09 2.34 0.09 0.00 0.02 0.00 0.00 61.00 63.36 1nlq s PRO 63 Cb -0.02 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 31.33 1nlq s PRO 63 CO 0.07 -0.38 0.37 1.51 -0.33 0.00 0.00 177.00 178.24 1nlq n ILE 64 N 1.56 0.00 -3.70 2.83 3.06 0.90 -4.86 119.36 119.15 1nlq n ILE 64 Ca 0.04 -0.28 -0.12 0.00 -2.50 0.00 0.00 62.75 59.88 1nlq n ILE 64 Cb 0.40 0.95 -0.10 0.00 0.54 0.00 0.00 39.64 41.44 1nlq n ILE 64 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nlq s ALA 65 N -1.90 -1.20 -0.18 1.51 0.00 -1.14 -4.84 121.76 114.00 1nlq s ALA 65 Ca 0.03 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1nlq s ALA 65 Cb 0.07 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1nlq s ALA 65 CO 0.37 -0.24 -0.01 0.08 0.00 0.00 0.00 175.76 175.95 1nlq s VAL 66 N 0.58 0.90 0.24 0.00 1.01 -1.26 -1.24 120.40 120.63 1nlq s VAL 66 Ca -0.03 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1nlq s VAL 66 Cb -0.05 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1nlq s VAL 66 CO -0.03 -0.05 -0.18 -0.76 0.00 0.00 0.00 175.10 174.08 1nlq s LEU 67 N 1.70 2.55 -0.30 3.92 1.43 0.30 -4.93 118.68 123.36 1nlq s LEU 67 Ca -0.01 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 51.97 1nlq s LEU 67 Cb -0.17 -0.93 0.16 0.00 0.03 0.00 0.00 46.19 45.28 1nlq s LEU 67 CO -0.07 -0.03 0.84 -0.75 0.23 0.00 0.00 176.35 176.57 1nlq s LYS 68 N -3.43 0.41 0.06 1.70 2.20 -0.38 -0.67 119.74 119.63 1nlq s LYS 68 Ca 0.25 0.98 -0.35 0.00 -0.36 0.00 0.00 55.97 56.50 1nlq s LYS 68 Cb -0.04 0.59 -0.14 0.00 -1.51 0.00 0.00 37.83 36.73 1nlq s LYS 68 CO 0.11 -0.19 1.63 0.00 -0.36 0.00 0.00 175.35 176.54 1nlq n ALA 69 N 5.21 0.76 0.00 3.13 0.00 -1.26 -0.42 120.51 127.93 1nlq n ALA 69 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1nlq n ALA 69 Cb 0.51 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 3.57 0.69 1.65 0.00 0.00 -1.26 -1.75 105.19 108.09 1nlq n GLY 70 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.00 -3.84 1.61 2.13 0.44 -5.07 120.64 113.92 1nlq n GLU 71 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1nlq n GLU 71 Cb 0.00 -0.18 -0.16 0.00 0.27 0.00 0.00 31.44 31.37 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 1.04 -0.09 6.31 2.01 -0.17 -4.97 115.64 117.79 1nlq s THR 72 Ca 0.00 -0.94 0.14 0.00 0.31 0.00 0.00 61.69 61.20 1nlq s THR 72 Cb 0.00 -1.45 -0.09 0.00 0.01 0.00 0.00 72.50 70.98 1nlq s THR 72 CO 0.00 -0.18 1.11 -0.09 -0.69 0.00 0.00 174.62 174.77 1nlq h ARG 73 N 8.09 0.00 -3.00 4.92 9.65 -1.95 -0.99 114.38 131.10 1nlq h ARG 73 Ca -0.17 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1nlq h ARG 73 Cb 1.09 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.56 1nlq h ARG 73 CO 0.38 0.51 0.21 0.00 2.80 0.00 0.00 179.97 183.87 1nlq s ALA 74 N -2.87 -1.53 0.09 2.80 0.00 -1.26 -0.90 121.76 118.09 1nlq s ALA 74 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1nlq s ALA 74 Cb 0.08 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1nlq s ALA 74 CO 0.79 -0.82 -0.08 0.14 0.00 0.00 0.00 175.76 175.79 1nlq s VAL 75 N -3.78 0.76 -0.56 0.00 -7.23 -0.70 -5.01 120.40 103.88 1nlq s VAL 75 Ca 0.03 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1nlq s VAL 75 Cb -0.02 -1.41 0.16 0.00 0.56 0.00 0.00 36.38 35.67 1nlq s VAL 75 CO -0.09 -0.69 0.40 0.20 -0.31 0.00 0.00 175.10 174.60 1nlq s ASN 76 N -2.63 3.50 0.24 4.85 0.01 -1.26 -1.77 114.94 117.89 1nlq s ASN 76 Ca 0.06 -3.40 -0.05 0.00 -0.71 0.00 0.00 52.86 48.77 1nlq s ASN 76 Cb 0.00 -1.15 0.35 0.00 0.41 0.00 0.00 41.25 40.87 1nlq s ASN 76 CO -0.02 -0.14 1.84 -0.65 -1.51 0.00 0.00 177.10 176.61 1nlq h PRO 77 N 5.69 0.87 -6.45 -0.60 0.11 -1.76 -3.47 132.00 126.40 1nlq h PRO 77 Ca 0.16 -0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.72 1nlq h PRO 77 Cb 0.83 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.67 1nlq h PRO 77 CO 0.57 0.58 -0.83 -3.47 -0.21 0.00 0.00 178.00 174.64 1nlq n ASP 78 N -4.67 -2.61 -4.84 -2.05 2.03 -0.21 -4.97 116.55 99.24 1nlq n ASP 78 Ca 0.13 -0.91 -0.22 0.00 0.52 0.00 0.00 54.79 54.31 1nlq n ASP 78 Cb 0.21 -3.37 -0.04 0.00 -0.72 0.00 0.00 41.12 37.20 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 -3.54 4.36 0.05 5.18 -7.23 -1.02 -4.92 120.40 113.29 1nlq s VAL 79 Ca 0.40 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 1nlq s VAL 79 Cb -0.21 -3.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 1nlq s VAL 79 CO 0.87 -0.32 -0.09 -1.83 -0.31 0.00 0.00 175.10 173.42 1nlq s GLU 80 N -3.88 0.62 -0.18 4.82 -1.05 -1.26 -0.42 118.70 117.35 1nlq s GLU 80 Ca 0.34 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1nlq s GLU 80 Cb -0.08 -0.37 0.04 0.00 -0.44 0.00 0.00 34.13 33.28 1nlq s GLU 80 CO 0.26 0.06 -0.09 -0.06 0.95 0.00 0.00 175.26 176.38 1nlq s PHE 81 N -1.64 2.18 -0.07 4.83 0.40 0.30 -4.97 117.98 119.00 1nlq s PHE 81 Ca -0.06 -1.40 -0.20 0.00 -0.60 0.00 0.00 56.93 54.68 1nlq s PHE 81 Cb -0.08 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1nlq s PHE 81 CO 0.00 -0.70 0.55 0.71 0.70 0.00 0.00 175.22 176.48 1nlq s TYR 82 N 1.48 3.58 -0.23 0.36 1.51 -1.26 -0.79 117.35 121.99 1nlq s TYR 82 Ca 0.00 1.05 -0.07 0.00 -1.01 0.00 0.00 57.07 57.04 1nlq s TYR 82 Cb -0.16 -2.60 0.01 0.00 -0.11 0.00 0.00 41.96 39.10 1nlq s TYR 82 CO -0.08 0.23 0.23 0.39 -1.11 0.00 0.00 175.55 175.20 1nlq n GLU 83 N 3.33 -0.62 -3.56 -0.62 1.02 0.64 -4.93 120.64 115.89 1nlq n GLU 83 Ca -0.06 0.39 -0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1nlq n GLU 83 Cb 0.51 -0.75 -0.04 0.00 -0.02 0.00 0.00 31.44 31.15 1nlq n GLU 83 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nlq s SER 84 N -1.44 -0.31 0.20 1.62 1.04 -1.26 -5.03 113.70 108.53 1nlq s SER 84 Ca 0.07 0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 1nlq s SER 84 Cb -0.01 0.28 -0.08 0.00 0.10 0.00 0.00 66.02 66.32 1nlq s SER 84 CO 0.32 -0.39 1.07 -0.75 0.98 0.00 0.00 173.24 174.47 1nlq s LYS 85 N -1.96 4.64 -0.03 4.02 2.20 -1.26 -4.87 119.74 122.48 1nlq s LYS 85 Ca 0.03 1.69 0.03 0.00 -0.36 0.00 0.00 55.97 57.36 1nlq s LYS 85 Cb -0.01 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1nlq s LYS 85 CO -0.03 0.16 -0.10 0.08 -0.36 0.00 0.00 175.35 175.10 1nlq s VAL 86 N -0.52 0.88 -0.07 4.02 1.01 -0.54 -4.23 120.40 120.94 1nlq s VAL 86 Ca 0.47 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1nlq s VAL 86 Cb -0.29 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1nlq s VAL 86 CO 0.35 0.27 -0.16 -0.89 0.00 0.00 0.00 175.10 174.67 1nlq s THR 87 N 0.12 1.42 -0.14 3.92 2.01 -0.75 -0.06 115.64 122.15 1nlq s THR 87 Ca -0.02 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1nlq s THR 87 Cb -0.08 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1nlq s THR 87 CO 0.01 0.42 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.96 1nlq s PHE 88 N 0.53 3.03 -0.04 4.92 0.40 -0.12 -0.64 117.98 126.05 1nlq s PHE 88 Ca -0.15 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1nlq s PHE 88 Cb -0.16 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 1nlq s PHE 88 CO 0.05 0.04 -0.15 0.15 0.70 0.00 0.00 175.22 176.01 1nlq s LYS 89 N 0.17 1.65 -0.96 0.44 1.02 0.18 -1.70 119.74 120.54 1nlq s LYS 89 Ca -0.01 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.26 1nlq s LYS 89 Cb -0.14 -1.44 0.14 0.00 -0.52 0.00 0.00 37.83 35.87 1nlq s LYS 89 CO 0.03 0.20 1.16 -1.17 -0.92 0.00 0.00 175.35 174.65 1nlq s LEU 90 N 0.14 5.07 0.15 3.17 2.96 -0.89 -0.21 118.68 129.07 1nlq s LEU 90 Ca -0.05 -2.17 0.26 0.00 -0.22 0.00 0.00 54.13 51.95 1nlq s LEU 90 Cb -0.12 -2.40 0.94 0.00 0.50 0.00 0.00 46.19 45.12 1nlq s LEU 90 CO 0.02 -1.02 1.81 2.30 -1.32 0.00 0.00 176.35 178.14 1nlq n ILE 91 N 5.37 0.46 -3.76 6.68 -5.35 -0.64 -4.78 119.36 117.34 1nlq n ILE 91 Ca 0.25 -0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.46 1nlq n ILE 91 Cb 0.48 -0.62 -0.12 0.00 -1.74 0.00 0.00 39.64 37.65 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 -3.08 0.29 0.00 6.28 3.01 -1.23 -4.96 119.74 120.05 1nlq s LYS 92 Ca 0.11 0.45 0.00 0.00 -1.01 0.00 0.00 55.97 55.52 1nlq s LYS 92 Cb 0.14 0.07 0.00 0.00 -1.01 0.00 0.00 37.83 37.03 1nlq s LYS 92 CO 0.55 -0.08 0.00 0.41 0.51 0.00 0.00 175.35 176.74 1nlq n GLY 93 N 3.36 0.80 0.19 -3.33 0.00 -1.15 -0.96 105.19 104.11 1nlq n GLY 93 Ca -0.17 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.45 1.10 0.00 1.61 7.64 -1.26 -4.58 113.62 117.68 1nlq n SER 94 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1nlq n SER 94 Cb 0.00 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.88 0.27 3.78 0.23 0.00 -1.26 -1.87 105.19 107.22 1nlq n GLY 95 Ca 0.04 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 3.42 -0.04 1.61 0.04 -1.26 -4.02 135.00 134.75 1nlq s PRO 96 Ca 0.00 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.57 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 -0.77 -0.16 0.08 0.04 0.00 0.00 177.00 176.18 1nlq s VAL 97 N -1.93 1.37 -0.07 -0.36 1.01 -0.10 -0.19 120.40 120.11 1nlq s VAL 97 Ca 0.70 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1nlq s VAL 97 Cb -0.21 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1nlq s VAL 97 CO 0.27 0.40 -0.07 -0.31 0.00 0.00 0.00 175.10 175.39 1nlq s TYR 98 N 0.01 2.93 -0.18 5.22 1.51 0.56 -0.59 117.35 126.82 1nlq s TYR 98 Ca -0.03 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1nlq s TYR 98 Cb -0.11 -1.73 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1nlq s TYR 98 CO 0.02 0.29 -0.13 0.42 -1.11 0.00 0.00 175.55 175.04 1nlq s ILE 99 N -0.71 2.78 0.04 2.71 1.01 0.27 -0.70 121.20 126.61 1nlq s ILE 99 Ca 0.11 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1nlq s ILE 99 Cb -0.11 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1nlq s ILE 99 CO 0.02 0.49 -0.25 -1.00 0.00 0.00 0.00 174.94 174.20 1nlq s HIS 100 N 1.05 2.23 -0.17 3.97 3.76 0.50 -1.52 115.29 125.11 1nlq s HIS 100 Ca -0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1nlq s HIS 100 Cb -0.15 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1nlq s HIS 100 CO -0.03 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.38 1nlq n GLY 101 N 1.83 -0.87 3.49 -2.22 0.00 -0.03 -0.51 105.19 106.89 1nlq n GLY 101 Ca -0.17 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.60 -0.04 1.61 -3.43 -0.40 -0.87 115.29 107.55 1nlq s HIS 102 Ca 0.00 0.86 -0.00 0.00 -0.80 0.00 0.00 55.06 55.11 1nlq s HIS 102 Cb 0.00 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.57 1nlq s HIS 102 CO 0.00 -0.66 0.01 -0.80 -2.00 0.00 0.00 174.74 171.29 1nlq s ASN 103 N -1.66 5.25 0.00 7.38 0.02 -0.36 -0.52 114.94 125.06 1nlq s ASN 103 Ca -0.07 0.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.86 1nlq s ASN 103 Cb -0.00 -1.44 0.00 0.00 0.02 0.00 0.00 41.25 39.82 1nlq s ASN 103 CO 0.03 0.33 0.33 -0.38 0.02 0.00 0.00 177.10 177.43