#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gq5 h MET 10 N 0.00 0.26 -7.04 1.61 0.00 -2.07 -3.48 114.93 104.21 1gq5 h MET 10 Ca 0.00 -0.44 -0.53 0.00 0.00 0.00 0.00 59.70 58.73 1gq5 h MET 10 Cb 0.00 0.16 0.10 0.00 0.00 0.00 0.00 31.60 31.87 1gq5 h MET 10 CO 0.00 1.15 0.54 -0.51 0.00 0.00 0.00 176.91 178.09 1gq5 s LEU 11 N -6.98 3.89 0.56 1.22 1.43 -1.26 -4.95 118.68 112.60 1gq5 s LEU 11 Ca -0.19 2.52 -0.21 0.00 -1.03 0.00 0.00 54.13 55.22 1gq5 s LEU 11 Cb 0.07 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1gq5 s LEU 11 CO 0.79 -1.30 1.33 -2.84 0.23 0.00 0.00 176.35 174.56 1gq5 s PRO 12 N -2.88 3.04 0.19 1.29 0.02 -1.26 -4.89 135.00 130.50 1gq5 s PRO 12 Ca 0.69 2.17 -0.33 0.00 0.02 0.00 0.00 61.00 63.55 1gq5 s PRO 12 Cb -0.34 -2.17 -0.13 0.00 0.02 0.00 0.00 34.50 31.88 1gq5 s PRO 12 CO 0.40 -1.25 1.60 -2.13 -0.33 0.00 0.00 177.00 175.30 1gq5 n ARG 13 N -1.20 2.34 -4.12 5.54 0.63 -1.18 -4.87 116.66 113.80 1gq5 n ARG 13 Ca 0.11 0.84 -0.34 0.00 -0.92 0.00 0.00 57.85 57.55 1gq5 n ARG 13 Cb 0.46 -2.62 -0.15 0.00 0.45 0.00 0.00 32.46 30.60 1gq5 n ARG 13 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1gq5 s LEU 14 N 0.81 2.59 -0.34 6.15 2.96 -1.26 -2.05 118.68 127.54 1gq5 s LEU 14 Ca 0.76 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1gq5 s LEU 14 Cb -0.62 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 44.48 1gq5 s LEU 14 CO 0.38 0.01 0.11 0.00 -1.32 0.00 0.00 176.35 175.54 1gq5 s LEU 17 N 1.49 3.35 -0.21 0.00 2.34 -0.83 -4.78 118.68 120.03 1gq5 s LEU 17 Ca 0.03 -0.02 -0.15 0.00 0.06 0.00 0.00 54.13 54.05 1gq5 s LEU 17 Cb -0.23 -1.85 -0.04 0.00 -0.56 0.00 0.00 46.19 43.51 1gq5 s LEU 17 CO 0.04 0.32 0.34 -1.61 -1.06 0.00 0.00 176.35 174.37 1gq5 s GLU 18 N -1.22 4.16 0.07 1.48 2.02 -1.26 -2.42 118.70 121.52 1gq5 s GLU 18 Ca 0.16 0.09 -0.31 0.00 0.02 0.00 0.00 54.97 54.93 1gq5 s GLU 18 Cb -0.11 -3.53 -0.10 0.00 0.10 0.00 0.00 34.13 30.49 1gq5 s GLU 18 CO 0.06 0.01 1.89 1.17 0.02 0.00 0.00 175.26 178.41 1gq5 n LYS 19 N 4.34 2.75 -2.77 1.61 4.81 -0.10 -4.77 118.16 124.04 1gq5 n LYS 19 Ca -0.10 1.01 -0.22 0.00 -0.87 0.00 0.00 58.31 58.13 1gq5 n LYS 19 Cb 0.51 -2.92 0.09 0.00 0.02 0.00 0.00 35.03 32.73 1gq5 n LYS 19 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1gq5 s GLY 20 N 3.52 1.75 0.26 3.14 0.00 -0.97 -4.97 107.32 110.06 1gq5 s GLY 20 Ca 0.86 -1.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1gq5 s GLY 20 CO 0.41 -1.37 1.77 -2.55 0.00 0.00 0.00 173.10 171.35 1gq5 h PRO 21 N -0.22 0.64 -1.14 2.90 0.11 -2.02 -2.06 132.00 130.20 1gq5 h PRO 21 Ca -0.34 -0.04 -0.52 0.00 0.11 0.00 0.00 66.00 65.21 1gq5 h PRO 21 Cb 1.28 -0.14 -0.24 0.00 0.11 0.00 0.00 31.00 32.00 1gq5 h PRO 21 CO 0.41 0.42 0.67 0.09 -0.21 0.00 0.00 178.00 179.38 1gq5 n ASN 22 N -4.85 6.42 0.00 -2.05 4.13 -1.26 -5.04 115.26 112.62 1gq5 n ASN 22 Ca 0.16 -3.48 0.00 0.00 1.68 0.00 0.00 54.58 52.95 1gq5 n ASN 22 Cb 0.40 -0.95 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 1gq5 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gq5 n GLY 23 N -0.55 -1.03 0.09 7.41 0.00 -0.77 -4.35 105.19 105.99 1gq5 n GLY 23 Ca 0.51 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1gq5 n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gq5 n TYR 24 N 0.00 0.95 -0.53 1.61 4.01 -1.26 -2.28 117.16 119.65 1gq5 n TYR 24 Ca 0.00 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 1gq5 n TYR 24 Cb 0.00 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 37.86 1gq5 n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gq5 n GLY 25 N 1.65 1.29 3.37 2.72 0.00 -1.26 -1.69 105.19 111.27 1gq5 n GLY 25 Ca -0.21 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1gq5 n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gq5 s PHE 26 N -2.12 -0.36 0.15 1.61 -0.71 -1.26 -1.44 117.98 113.85 1gq5 s PHE 26 Ca 0.00 0.24 0.01 0.00 -1.04 0.00 0.00 56.93 56.15 1gq5 s PHE 26 Cb 0.00 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1gq5 s PHE 26 CO 0.00 -0.69 0.31 -1.01 -1.34 0.00 0.00 175.22 172.49 1gq5 s HIS 27 N -3.09 3.49 -0.04 3.49 3.76 0.48 -4.96 115.29 118.42 1gq5 s HIS 27 Ca -0.02 0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.13 1gq5 s HIS 27 Cb 0.00 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.96 1gq5 s HIS 27 CO -0.07 0.49 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.97 1gq5 s LEU 28 N -3.19 1.93 -0.03 0.89 2.96 -1.26 -0.25 118.68 119.74 1gq5 s LEU 28 Ca 0.36 -0.34 -0.25 0.00 -0.22 0.00 0.00 54.13 53.67 1gq5 s LEU 28 Cb -0.11 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.69 1gq5 s LEU 28 CO 0.29 0.16 0.56 -1.38 -1.32 0.00 0.00 176.35 174.65 1gq5 s HIS 29 N -0.04 -0.50 0.00 5.38 -3.43 -0.87 -4.92 115.29 110.91 1gq5 s HIS 29 Ca -0.02 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 1gq5 s HIS 29 Cb -0.10 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.36 1gq5 s HIS 29 CO 0.02 -0.55 0.00 0.41 -2.00 0.00 0.00 174.74 172.61 1gq5 n GLY 30 N 0.96 2.23 3.41 -1.38 0.00 -1.26 -0.53 105.19 108.62 1gq5 n GLY 30 Ca -0.20 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.67 1gq5 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gq5 s GLU 31 N 0.87 0.46 0.04 1.61 8.01 -1.25 -4.93 118.70 123.52 1gq5 s GLU 31 Ca 0.00 1.10 -0.37 0.00 0.01 0.00 0.00 54.97 55.71 1gq5 s GLU 31 Cb 0.00 0.33 -0.19 0.00 -4.31 0.00 0.00 34.13 29.96 1gq5 s GLU 31 CO 0.00 -0.20 0.94 1.63 0.01 0.00 0.00 175.26 177.64 1gq5 n LYS 32 N 4.95 0.00 0.00 1.61 4.76 -1.26 -2.25 118.16 125.97 1gq5 n LYS 32 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1gq5 n LYS 32 Cb 0.52 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1gq5 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gq5 n GLY 33 N 1.60 1.44 3.56 0.72 0.00 -1.26 -4.83 105.19 106.43 1gq5 n GLY 33 Ca 0.19 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1gq5 n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gq5 s LYS 34 N 0.00 3.31 0.71 1.61 0.00 -0.95 -4.99 119.74 119.42 1gq5 s LYS 34 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 55.97 54.97 1gq5 s LYS 34 Cb 0.00 -5.20 0.02 0.00 0.00 0.00 0.00 37.83 32.64 1gq5 s LYS 34 CO 0.00 -2.49 1.14 -0.11 0.00 0.00 0.00 175.35 173.89 1gq5 n LEU 35 N 10.18 4.62 0.00 2.77 0.00 -1.26 -3.89 117.00 129.42 1gq5 n LEU 35 Ca 0.33 0.71 0.00 0.00 0.00 0.00 0.00 56.01 57.05 1gq5 n LEU 35 Cb 0.50 -1.48 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1gq5 n LEU 35 CO 0.65 -1.59 0.00 0.61 0.00 0.00 0.00 177.39 177.06 1gq5 n GLY 36 N 0.92 3.76 3.48 -3.96 0.00 -1.26 -4.97 105.19 103.16 1gq5 n GLY 36 Ca 0.14 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1gq5 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gq5 s GLN 37 N -4.06 2.14 0.04 1.61 -1.52 -1.26 -4.24 119.66 112.38 1gq5 s GLN 37 Ca 0.00 -0.95 0.03 0.00 -1.95 0.00 0.00 55.36 52.49 1gq5 s GLN 37 Cb 0.00 -2.24 -0.02 0.00 -0.22 0.00 0.00 33.01 30.53 1gq5 s GLN 37 CO 0.00 0.55 -0.08 0.71 -0.25 0.00 0.00 175.29 176.21 1gq5 s TYR 38 N -0.95 0.73 0.29 0.91 1.51 0.31 -1.70 117.35 118.46 1gq5 s TYR 38 Ca 0.15 -0.48 -0.28 0.00 -1.01 0.00 0.00 57.07 55.45 1gq5 s TYR 38 Cb -0.11 -0.43 -0.09 0.00 -0.11 0.00 0.00 41.96 41.22 1gq5 s TYR 38 CO 0.06 -0.06 0.99 0.42 -1.11 0.00 0.00 175.55 175.85 1gq5 s ILE 39 N -1.32 3.92 -0.02 2.71 -1.09 0.34 -2.05 121.20 123.69 1gq5 s ILE 39 Ca -0.09 1.79 -0.08 0.00 -2.23 0.00 0.00 60.65 60.04 1gq5 s ILE 39 Cb -0.10 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1gq5 s ILE 39 CO 0.01 0.31 0.18 -0.60 -1.23 0.00 0.00 174.94 173.61 1gq5 s ARG 40 N -1.63 0.42 -0.78 2.79 3.52 0.66 -1.61 118.95 122.33 1gq5 s ARG 40 Ca 0.46 -0.16 -0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1gq5 s ARG 40 Cb -0.25 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.32 1gq5 s ARG 40 CO 0.31 -0.09 0.66 1.28 -0.81 0.00 0.00 175.30 176.65 1gq5 n LEU 41 N 1.92 -4.65 -4.67 -0.88 4.77 -1.26 -0.39 117.00 111.85 1gq5 n LEU 41 Ca -0.19 -0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 1gq5 n LEU 41 Cb 0.57 -2.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.04 1gq5 n LEU 41 CO 0.21 -0.47 0.58 -0.69 -1.33 0.00 0.00 177.39 175.69 1gq5 s VAL 42 N -2.99 4.90 0.10 4.08 1.01 -1.26 -3.76 120.40 122.49 1gq5 s VAL 42 Ca 0.00 1.58 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 1gq5 s VAL 42 Cb -0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1gq5 s VAL 42 CO 0.81 0.04 1.26 -0.70 0.00 0.00 0.00 175.10 176.51 1gq5 s GLU 43 N 2.12 4.40 0.20 2.72 2.56 -0.52 -4.96 118.70 125.22 1gq5 s GLU 43 Ca 0.37 1.90 -0.33 0.00 0.00 0.00 0.00 54.97 56.91 1gq5 s GLU 43 Cb -0.16 -3.29 -0.13 0.00 2.00 0.00 0.00 34.13 32.54 1gq5 s GLU 43 CO 0.12 -0.28 1.53 -2.30 -0.56 0.00 0.00 175.26 173.77 1gq5 n PRO 44 N 3.64 2.18 -0.84 4.30 -0.02 -1.26 -2.89 135.00 140.11 1gq5 n PRO 44 Ca 0.09 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1gq5 n PRO 44 Cb 0.45 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1gq5 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gq5 n GLY 45 N 2.95 0.67 3.97 -1.23 0.00 -1.26 -5.02 105.19 105.27 1gq5 n GLY 45 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1gq5 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gq5 s SER 46 N -2.26 5.78 0.18 1.61 1.04 -1.14 -4.90 113.70 114.01 1gq5 s SER 46 Ca 0.00 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 1gq5 s SER 46 Cb 0.00 -1.30 0.18 0.00 0.10 0.00 0.00 66.02 64.99 1gq5 s SER 46 CO 0.00 -0.70 1.68 -0.65 0.98 0.00 0.00 173.24 174.55 1gq5 h PRO 47 N 0.50 0.09 -0.47 4.02 0.11 -1.86 0.21 132.00 134.59 1gq5 h PRO 47 Ca -0.45 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.75 1gq5 h PRO 47 Cb 1.26 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 1gq5 h PRO 47 CO 0.55 0.06 -0.24 0.00 -0.21 0.00 0.00 178.00 178.15 1gq5 h ALA 48 N 1.45 0.07 -0.48 -0.75 0.00 -1.63 0.33 119.26 118.25 1gq5 h ALA 48 Ca 0.24 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1gq5 h ALA 48 Cb 0.37 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1gq5 h ALA 48 CO -0.43 -0.59 -0.08 1.49 0.00 0.00 0.00 179.25 179.64 1gq5 h GLU 49 N -0.14 0.86 0.00 0.00 4.81 -1.42 -2.11 114.58 116.58 1gq5 h GLU 49 Ca 0.22 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1gq5 h GLU 49 Cb 0.48 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1gq5 h GLU 49 CO -0.56 0.91 -0.22 0.87 -0.73 0.00 0.00 179.01 179.28 1gq5 h LYS 50 N 0.78 0.00 -0.01 1.92 6.56 0.14 -2.35 116.57 123.61 1gq5 h LYS 50 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1gq5 h LYS 50 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1gq5 h LYS 50 CO 0.04 0.22 -0.15 0.00 -2.06 0.00 0.00 179.45 177.50 1gq5 n ALA 51 N -2.37 2.87 -0.02 3.86 0.00 0.96 -4.94 120.51 120.87 1gq5 n ALA 51 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1gq5 n ALA 51 Cb 0.31 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1gq5 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gq5 n GLY 52 N 1.28 0.75 3.74 0.00 0.00 -0.88 -4.44 105.19 105.64 1gq5 n GLY 52 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1gq5 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gq5 s LEU 53 N 0.00 3.53 -0.04 0.99 1.43 -0.83 -5.03 118.68 118.73 1gq5 s LEU 53 Ca 0.00 2.40 -0.02 0.00 -1.03 0.00 0.00 54.13 55.49 1gq5 s LEU 53 Cb 0.00 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.65 1gq5 s LEU 53 CO 0.00 -1.86 0.09 -0.76 0.23 0.00 0.00 176.35 174.04 1gq5 s LEU 54 N -4.47 1.00 0.59 1.79 1.43 -1.26 -4.69 118.68 113.06 1gq5 s LEU 54 Ca 0.77 0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 1gq5 s LEU 54 Cb -0.31 0.16 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 1gq5 s LEU 54 CO 0.38 -0.12 0.89 0.00 0.23 0.00 0.00 176.35 177.73 1gq5 n ALA 55 N 4.05 -0.04 0.00 4.21 0.00 -1.26 -1.19 120.51 126.27 1gq5 n ALA 55 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1gq5 n ALA 55 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1gq5 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gq5 n GLY 56 N 1.36 3.01 3.77 0.00 0.00 -0.64 -4.95 105.19 107.75 1gq5 n GLY 56 Ca 0.13 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1gq5 n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gq5 s ASP 57 N 0.79 6.23 -0.06 1.61 1.01 -0.33 -4.53 116.67 121.38 1gq5 s ASP 57 Ca 0.00 2.90 -0.11 0.00 0.71 0.00 0.00 52.55 56.05 1gq5 s ASP 57 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1gq5 s ASP 57 CO 0.00 -0.93 0.28 -0.60 0.21 0.00 0.00 175.17 174.12 1gq5 s ARG 58 N -2.21 3.68 -0.29 8.23 3.52 -0.46 -0.51 118.95 130.92 1gq5 s ARG 58 Ca 0.56 0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 56.13 1gq5 s ARG 58 Cb -0.43 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1gq5 s ARG 58 CO 0.57 0.73 0.45 -1.17 -0.81 0.00 0.00 175.30 175.08 1gq5 s LEU 59 N -1.08 4.16 -0.23 -0.88 2.96 -0.69 -2.17 118.68 120.75 1gq5 s LEU 59 Ca 0.20 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 1gq5 s LEU 59 Cb -0.14 -2.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.84 1gq5 s LEU 59 CO 0.09 -0.31 -0.16 0.52 -1.32 0.00 0.00 176.35 175.18 1gq5 n VAL 60 N 5.22 1.37 -3.91 1.68 0.31 0.86 -4.44 118.33 119.42 1gq5 n VAL 60 Ca -0.06 -0.59 -0.11 0.00 -0.01 0.00 0.00 64.34 63.57 1gq5 n VAL 60 Cb 0.50 -1.18 -0.12 0.00 -0.91 0.00 0.00 33.84 32.13 1gq5 n VAL 60 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1gq5 s GLU 61 N -2.48 0.19 -0.16 5.55 2.02 -1.00 -0.84 118.70 121.98 1gq5 s GLU 61 Ca -0.28 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1gq5 s GLU 61 Cb 0.08 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.40 1gq5 s GLU 61 CO 0.60 -0.03 -0.19 0.08 0.02 0.00 0.00 175.26 175.74 1gq5 s VAL 62 N -0.71 1.95 -1.67 2.63 1.01 -0.81 -0.90 120.40 121.91 1gq5 s VAL 62 Ca -0.08 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1gq5 s VAL 62 Cb -0.05 -1.76 0.14 0.00 0.00 0.00 0.00 36.38 34.71 1gq5 s VAL 62 CO -0.00 0.52 0.77 0.59 0.00 0.00 0.00 175.10 176.98 1gq5 n ASN 63 N 4.43 -3.16 0.00 3.32 3.02 0.61 -1.81 115.26 121.67 1gq5 n ASN 63 Ca -0.20 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1gq5 n ASN 63 Cb 0.51 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 1gq5 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gq5 n GLY 64 N -1.48 0.59 3.33 7.41 0.00 -1.26 -5.01 105.19 108.77 1gq5 n GLY 64 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1gq5 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gq5 s GLU 65 N -0.21 3.00 -0.23 1.61 0.41 -0.75 -5.09 118.70 117.44 1gq5 s GLU 65 Ca 0.00 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.49 1gq5 s GLU 65 Cb 0.00 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1gq5 s GLU 65 CO 0.00 0.30 1.60 1.21 -0.49 0.00 0.00 175.26 177.88 1gq5 s ASN 66 N 0.08 6.38 -0.17 -0.19 3.04 -1.26 -1.93 114.94 120.89 1gq5 s ASN 66 Ca -0.08 1.57 0.17 0.00 0.04 0.00 0.00 52.86 54.57 1gq5 s ASN 66 Cb -0.15 -2.53 0.48 0.00 -1.54 0.00 0.00 41.25 37.50 1gq5 s ASN 66 CO 0.05 -1.26 1.36 1.33 -3.04 0.00 0.00 177.10 175.54 1gq5 n VAL 67 N 6.43 2.20 0.04 -5.21 0.24 -0.02 -4.77 118.33 117.24 1gq5 n VAL 67 Ca 0.19 -1.97 0.07 0.00 -2.04 0.00 0.00 64.34 60.58 1gq5 n VAL 67 Cb 0.45 -0.25 0.49 0.00 -1.47 0.00 0.00 33.84 33.06 1gq5 n VAL 67 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1gq5 h GLU 68 N 1.40 0.40 -1.02 7.34 5.08 -1.77 -2.84 114.58 123.17 1gq5 h GLU 68 Ca 0.00 -0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 57.84 1gq5 h GLU 68 Cb 1.35 -0.09 -0.42 0.00 0.50 0.00 0.00 28.75 30.09 1gq5 h GLU 68 CO 0.17 0.26 -0.88 1.63 -1.00 0.00 0.00 179.01 179.20 1gq5 n LYS 69 N -4.48 2.98 -4.31 2.33 5.02 -1.26 -4.15 118.16 114.28 1gq5 n LYS 69 Ca 0.03 -4.09 -0.27 0.00 -2.02 0.00 0.00 58.31 51.97 1gq5 n LYS 69 Cb 0.13 -2.05 -0.10 0.00 -0.02 0.00 0.00 35.03 33.00 1gq5 n LYS 69 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gq5 s GLU 70 N -3.55 1.96 0.90 1.97 2.02 -1.07 -5.04 118.70 115.90 1gq5 s GLU 70 Ca 0.44 -1.30 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 1gq5 s GLU 70 Cb 0.40 -2.11 0.14 0.00 0.10 0.00 0.00 34.13 32.66 1gq5 s GLU 70 CO -0.05 0.43 1.11 0.95 0.02 0.00 0.00 175.26 177.72 1gq5 s THR 71 N -1.67 2.49 0.28 3.63 -4.23 -1.26 -4.68 115.64 110.20 1gq5 s THR 71 Ca 0.24 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1gq5 s THR 71 Cb -0.09 -2.38 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1gq5 s THR 71 CO 0.14 -0.21 1.75 -0.74 -0.54 0.00 0.00 174.62 175.02 1gq5 h HIS 72 N -1.71 0.83 -0.45 3.99 -0.00 -1.98 -1.69 115.15 114.13 1gq5 h HIS 72 Ca -0.46 0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 59.82 1gq5 h HIS 72 Cb 1.27 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.44 1gq5 h HIS 72 CO 0.48 0.15 -0.20 0.37 -0.00 0.00 0.00 177.93 178.74 1gq5 h GLN 73 N 0.62 0.93 -0.12 5.26 4.15 -1.99 -1.90 115.11 122.05 1gq5 h GLN 73 Ca 0.52 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1gq5 h GLN 73 Cb 0.81 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 1gq5 h GLN 73 CO -0.40 1.06 0.07 1.96 -1.93 0.00 0.00 178.83 179.59 1gq5 h GLN 74 N 0.77 0.17 -0.50 1.69 4.20 -1.78 -1.01 115.11 118.65 1gq5 h GLN 74 Ca 0.10 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1gq5 h GLN 74 Cb 0.77 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1gq5 h GLN 74 CO 0.06 0.17 0.08 0.28 -0.67 0.00 0.00 178.83 178.75 1gq5 h VAL 75 N 0.12 1.25 -0.58 -0.54 2.07 -1.19 -1.47 116.25 115.92 1gq5 h VAL 75 Ca 0.04 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1gq5 h VAL 75 Cb 0.05 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1gq5 h VAL 75 CO -0.01 0.34 0.19 0.58 0.02 0.00 0.00 177.57 178.69 1gq5 h VAL 76 N 0.71 1.24 -0.66 2.57 2.07 -1.33 -1.45 116.25 119.40 1gq5 h VAL 76 Ca 0.15 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1gq5 h VAL 76 Cb 0.41 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1gq5 h VAL 76 CO 0.01 0.30 0.35 0.28 0.02 0.00 0.00 177.57 178.53 1gq5 h SER 77 N 0.81 0.49 -0.03 0.57 0.02 -0.83 0.15 113.55 114.74 1gq5 h SER 77 Ca 0.19 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1gq5 h SER 77 Cb 0.28 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gq5 h SER 77 CO -0.01 0.31 0.01 0.03 -1.14 0.00 0.00 176.83 176.04 1gq5 h ARG 78 N 0.63 0.05 -0.34 3.45 3.08 -0.77 -0.16 114.38 120.32 1gq5 h ARG 78 Ca 0.30 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.39 1gq5 h ARG 78 Cb 0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1gq5 h ARG 78 CO -0.21 0.21 0.10 0.82 -1.07 0.00 0.00 179.97 179.83 1gq5 h ILE 79 N -0.13 0.88 -0.08 2.04 2.04 -0.84 -2.27 117.51 119.15 1gq5 h ILE 79 Ca 0.01 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1gq5 h ILE 79 Cb 0.19 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1gq5 h ILE 79 CO -0.00 0.04 -0.29 0.03 0.00 0.00 0.00 178.15 177.93 1gq5 h ARG 80 N 0.24 0.15 0.00 2.37 3.08 -0.51 -3.12 114.38 116.60 1gq5 h ARG 80 Ca 0.15 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1gq5 h ARG 80 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1gq5 h ARG 80 CO -0.17 0.44 -0.51 0.00 -1.07 0.00 0.00 179.97 178.65 1gq5 h ALA 81 N 1.57 0.79 -2.45 0.04 0.00 -0.42 -3.45 119.26 115.34 1gq5 h ALA 81 Ca 0.02 -0.47 -0.55 0.00 0.00 0.00 0.00 54.91 53.92 1gq5 h ALA 81 Cb 0.59 -0.08 0.19 0.00 0.00 0.00 0.00 17.79 18.49 1gq5 h ALA 81 CO 0.04 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 179.73 1gq5 n ALA 82 N -2.28 -1.26 -0.08 0.00 0.00 -1.15 -4.94 120.51 110.81 1gq5 n ALA 82 Ca 0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 1gq5 n ALA 82 Cb 0.65 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1gq5 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gq5 n LEU 83 N -1.42 1.83 -0.03 0.00 4.77 -1.26 -4.75 117.00 116.13 1gq5 n LEU 83 Ca 0.10 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.68 1gq5 n LEU 83 Cb 0.51 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1gq5 n LEU 83 CO 0.50 -0.36 -0.76 0.59 -1.33 0.00 0.00 177.39 176.03 1gq5 n ASN 84 N -4.58 2.06 -3.54 -1.43 3.02 -1.26 -4.94 115.26 104.59 1gq5 n ASN 84 Ca -0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.33 1gq5 n ASN 84 Cb 0.34 1.21 -0.03 0.00 -0.61 0.00 0.00 39.78 40.70 1gq5 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gq5 s ALA 85 N -2.61 -1.36 -0.03 5.41 0.00 -1.26 -0.92 121.76 120.99 1gq5 s ALA 85 Ca -0.05 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1gq5 s ALA 85 Cb 0.06 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1gq5 s ALA 85 CO 0.51 -0.77 0.09 0.14 0.00 0.00 0.00 175.76 175.73 1gq5 s VAL 86 N -3.79 0.01 -0.26 0.00 -7.23 -1.02 -4.83 120.40 103.28 1gq5 s VAL 86 Ca 0.03 -0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 1gq5 s VAL 86 Cb -0.01 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 1gq5 s VAL 86 CO -0.10 -0.07 0.08 -0.13 -0.31 0.00 0.00 175.10 174.58 1gq5 s ARG 87 N -0.17 3.54 -0.27 4.82 0.52 -1.26 -1.97 118.95 124.15 1gq5 s ARG 87 Ca -0.02 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1gq5 s ARG 87 Cb -0.02 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 32.09 1gq5 s ARG 87 CO 0.00 -0.25 0.04 -0.51 0.02 0.00 0.00 175.30 174.59 1gq5 s LEU 88 N 1.60 3.55 -0.34 2.53 1.43 0.39 -0.29 118.68 127.55 1gq5 s LEU 88 Ca 0.06 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 1gq5 s LEU 88 Cb -0.16 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1gq5 s LEU 88 CO 0.04 -0.14 0.50 -0.22 0.23 0.00 0.00 176.35 176.76 1gq5 s LEU 89 N 1.47 4.31 0.22 1.79 2.96 -0.07 -1.42 118.68 127.94 1gq5 s LEU 89 Ca 0.03 0.04 0.10 0.00 -0.22 0.00 0.00 54.13 54.08 1gq5 s LEU 89 Cb -0.16 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 1gq5 s LEU 89 CO 0.00 -0.44 -0.19 0.68 -1.32 0.00 0.00 176.35 175.08 1gq5 s VAL 90 N 2.35 2.16 0.12 1.68 -7.23 -0.87 -0.10 120.40 118.52 1gq5 s VAL 90 Ca 0.18 -2.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1gq5 s VAL 90 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1gq5 s VAL 90 CO 0.13 -0.36 -0.08 0.68 -0.31 0.00 0.00 175.10 175.16 1gq5 s VAL 91 N -2.31 0.91 -0.38 1.32 -7.23 -0.92 -3.10 120.40 108.68 1gq5 s VAL 91 Ca 0.23 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.21 1gq5 s VAL 91 Cb -0.05 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.17 1gq5 s VAL 91 CO 0.10 -0.80 0.72 -0.62 -0.31 0.00 0.00 175.10 174.20 1gq5 s ASP 92 N -3.06 6.46 0.67 4.85 -1.08 -1.26 -1.35 116.67 121.90 1gq5 s ASP 92 Ca 0.14 0.13 0.38 0.00 -0.52 0.00 0.00 52.55 52.68 1gq5 s ASP 92 Cb 0.04 -2.36 2.07 0.00 -1.46 0.00 0.00 42.92 41.21 1gq5 s ASP 92 CO -0.02 -0.73 2.17 -0.65 0.52 0.00 0.00 175.17 176.46 1gq5 h PRO 93 N 8.61 0.00 0.00 4.34 0.11 -1.82 0.53 132.00 143.77 1gq5 h PRO 93 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gq5 h PRO 93 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1gq5 h PRO 93 CO 0.89 0.00 -0.21 -1.91 -0.21 0.00 0.00 178.00 176.56 1gq5 n GLU 94 N -3.01 0.23 -0.00 1.05 2.13 -1.26 -3.87 120.64 115.90 1gq5 n GLU 94 Ca -0.02 0.14 0.02 0.00 0.66 0.00 0.00 57.16 57.95 1gq5 n GLU 94 Cb 0.21 -1.72 -0.02 0.00 0.27 0.00 0.00 31.44 30.18 1gq5 n GLU 94 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1gq5 n GLU 95 N -2.09 5.77 -4.69 5.31 1.02 0.18 -5.03 120.64 121.11 1gq5 n GLU 95 Ca 0.05 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.95 1gq5 n GLU 95 Cb 0.42 -0.67 -0.16 0.00 -0.02 0.00 0.00 31.44 31.01 1gq5 n GLU 95 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1gq5 s ASP 96 N -1.34 1.84 0.04 1.62 -1.08 -0.47 -5.00 116.67 112.29 1gq5 s ASP 96 Ca 0.01 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 51.77 1gq5 s ASP 96 Cb 0.03 -0.48 -0.02 0.00 -1.46 0.00 0.00 42.92 40.98 1gq5 s ASP 96 CO 0.14 0.13 -0.07 -0.44 0.52 0.00 0.00 175.17 175.44 1gq5 s SER 97 N 0.05 0.84 0.08 -0.34 0.01 -1.26 -4.65 113.70 108.44 1gq5 s SER 97 Ca -0.03 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.53 1gq5 s SER 97 Cb -0.10 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1gq5 s SER 97 CO 0.01 -0.23 0.46 0.12 0.41 0.00 0.00 173.24 174.02 1gq5 s PHE 98 N -1.53 3.64 0.00 2.43 5.36 -1.26 -5.24 117.98 121.38 1gq5 s PHE 98 Ca -0.09 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1gq5 s PHE 98 Cb -0.09 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 1gq5 s PHE 98 CO -0.00 0.52 0.25 1.28 -1.46 0.00 0.00 175.22 175.81