#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqp s PHE 10 N 0.00 0.23 -0.17 6.00 5.36 -1.26 -5.10 117.98 123.03 1hqp s PHE 10 Ca 0.00 -1.20 -0.33 0.00 -0.96 0.00 0.00 56.93 54.44 1hqp s PHE 10 Cb 0.00 -0.68 -0.10 0.00 -0.34 0.00 0.00 43.02 41.90 1hqp s PHE 10 CO 0.00 -0.89 2.04 -1.91 -1.46 0.00 0.00 175.22 173.00 1hqp n GLU 11 N 4.22 1.91 0.21 10.12 2.13 -1.26 -4.85 120.64 133.11 1hqp n GLU 11 Ca 0.10 0.63 0.13 0.00 0.66 0.00 0.00 57.16 58.69 1hqp n GLU 11 Cb 0.41 -2.76 0.31 0.00 0.27 0.00 0.00 31.44 29.67 1hqp n GLU 11 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1hqp h LEU 12 N 11.40 0.00 -9.52 4.31 4.07 -1.98 -3.45 115.31 120.15 1hqp h LEU 12 Ca -0.42 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.01 1hqp h LEU 12 Cb 1.27 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.04 1hqp h LEU 12 CO 0.97 0.00 0.81 -0.44 -1.08 0.00 0.00 178.44 178.70 1hqp s SER 13 N -5.73 6.75 0.00 -0.43 0.01 -1.26 -4.88 113.70 108.16 1hqp s SER 13 Ca 0.07 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1hqp s SER 13 Cb 0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1hqp s SER 13 CO 0.62 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1hqp n GLY 14 N 3.64 -1.00 3.72 3.44 0.00 -0.97 -5.00 105.19 109.02 1hqp n GLY 14 Ca 0.13 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1hqp n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqp s LYS 15 N -2.00 4.52 0.01 1.61 1.02 -1.26 -1.07 119.74 122.57 1hqp s LYS 15 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1hqp s LYS 15 Cb 0.00 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 1hqp s LYS 15 CO 0.00 -0.08 -0.01 -1.58 -0.92 0.00 0.00 175.35 172.76 1hqp s TRP 16 N 0.56 0.08 -0.02 3.18 0.52 -1.18 -4.63 118.94 117.46 1hqp s TRP 16 Ca 0.54 -0.14 0.06 0.00 0.02 0.00 0.00 56.10 56.57 1hqp s TRP 16 Cb -0.28 -0.06 -0.01 0.00 -1.15 0.00 0.00 33.47 31.97 1hqp s TRP 16 CO 0.31 -0.05 -0.20 0.42 0.02 0.00 0.00 176.95 177.45 1hqp s ILE 17 N -0.39 1.56 -0.26 2.03 1.09 0.27 -2.04 121.20 123.46 1hqp s ILE 17 Ca -0.04 -0.83 -0.29 0.00 -1.10 0.00 0.00 60.65 58.39 1hqp s ILE 17 Cb -0.03 -1.30 0.01 0.00 -1.06 0.00 0.00 42.46 40.08 1hqp s ILE 17 CO -0.00 0.44 1.03 -0.89 -0.10 0.00 0.00 174.94 175.42 1hqp s THR 18 N -0.37 4.64 -0.24 2.92 2.01 -1.26 -1.91 115.64 121.43 1hqp s THR 18 Ca 0.05 1.88 -0.10 0.00 0.31 0.00 0.00 61.69 63.83 1hqp s THR 18 Cb -0.09 -4.33 -0.17 0.00 0.01 0.00 0.00 72.50 67.93 1hqp s THR 18 CO -0.00 -0.28 -0.12 -1.20 -0.69 0.00 0.00 174.62 172.33 1hqp n SER 19 N 6.48 1.97 -4.01 3.53 7.64 -0.77 -3.75 113.62 124.71 1hqp n SER 19 Ca 0.11 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 60.11 1hqp n SER 19 Cb 0.47 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 1hqp n SER 19 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1hqp s TYR 20 N -2.49 0.37 -0.11 1.43 1.51 -1.21 -1.93 117.35 114.92 1hqp s TYR 20 Ca -0.34 -0.82 -0.05 0.00 -1.01 0.00 0.00 57.07 54.84 1hqp s TYR 20 Cb 0.10 -0.27 0.05 0.00 -0.11 0.00 0.00 41.96 41.74 1hqp s TYR 20 CO 0.58 -0.38 0.26 0.96 -1.11 0.00 0.00 175.55 175.85 1hqp s ILE 21 N -3.39 -0.08 0.31 2.71 -4.36 -1.24 -1.36 121.20 113.79 1hqp s ILE 21 Ca 0.02 0.16 -0.07 0.00 -0.26 0.00 0.00 60.65 60.49 1hqp s ILE 21 Cb 0.04 -0.40 -0.06 0.00 1.25 0.00 0.00 42.46 43.29 1hqp s ILE 21 CO -0.08 0.07 0.61 -0.83 0.24 0.00 0.00 174.94 174.95 1hqp s GLY 22 N 1.39 1.97 -0.28 6.27 0.00 0.42 -3.41 107.32 113.68 1hqp s GLY 22 Ca -0.08 -0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 1hqp s GLY 22 CO -0.09 -0.26 0.83 -0.45 0.00 0.00 0.00 173.10 173.13 1hqp s SER 23 N -2.98 -0.73 0.00 1.64 0.15 -1.21 -1.76 113.70 108.81 1hqp s SER 23 Ca 0.47 1.17 0.18 0.00 0.70 0.00 0.00 55.95 58.47 1hqp s SER 23 Cb -0.11 1.31 0.86 0.00 -1.71 0.00 0.00 66.02 66.38 1hqp s SER 23 CO 0.28 -0.18 1.55 -1.54 1.20 0.00 0.00 173.24 174.55 1hqp n SER 24 N 4.04 0.00 -3.39 5.45 3.41 0.12 -4.39 113.62 118.86 1hqp n SER 24 Ca -0.19 0.18 -0.15 0.00 -0.26 0.00 0.00 58.87 58.45 1hqp n SER 24 Cb 0.58 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 1hqp n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hqp s ASP 25 N -2.71 1.33 0.51 4.04 2.15 -1.26 -4.95 116.67 115.78 1hqp s ASP 25 Ca 0.14 -0.54 0.28 0.00 0.43 0.00 0.00 52.55 52.86 1hqp s ASP 25 Cb 0.12 0.63 1.53 0.00 -0.30 0.00 0.00 42.92 44.90 1hqp s ASP 25 CO 0.29 -0.37 1.84 -0.07 -0.17 0.00 0.00 175.17 176.69 1hqp h LEU 26 N 8.25 0.00 -0.22 -1.34 4.07 -1.94 -2.02 115.31 122.11 1hqp h LEU 26 Ca -0.14 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.61 1hqp h LEU 26 Cb 1.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1hqp h LEU 26 CO 0.31 0.00 -0.91 1.05 -1.08 0.00 0.00 178.44 177.81 1hqp h GLU 27 N 0.00 0.30 0.00 1.13 -0.00 -1.97 -3.07 114.58 110.97 1hqp h GLU 27 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1hqp h GLU 27 Cb 0.33 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 1hqp h GLU 27 CO 0.00 1.03 0.00 0.87 -0.00 0.00 0.00 179.01 180.91 1hqp h LYS 28 N 0.16 0.00 -0.02 1.06 1.57 -1.78 -2.91 116.57 114.65 1hqp h LYS 28 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hqp h LYS 28 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1hqp h LYS 28 CO 0.15 0.00 -0.15 0.44 -0.57 0.00 0.00 179.45 179.32 1hqp n ILE 29 N -2.67 0.00 -1.06 1.86 -6.64 -1.18 -0.95 119.36 108.72 1hqp n ILE 29 Ca -0.00 -0.43 -0.30 0.00 -1.77 0.00 0.00 62.75 60.25 1hqp n ILE 29 Cb 0.19 1.32 0.15 0.00 -1.44 0.00 0.00 39.64 39.85 1hqp n ILE 29 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1hqp s GLY 30 N -1.75 1.63 -0.43 3.28 0.00 -1.10 -4.14 107.32 104.81 1hqp s GLY 30 Ca 0.19 0.09 -0.41 0.00 0.00 0.00 0.00 44.72 44.59 1hqp s GLY 30 CO 0.32 0.57 2.03 -2.21 0.00 0.00 0.00 173.10 173.81 1hqp n GLU 31 N -3.99 0.45 -0.99 2.90 2.13 -1.26 0.17 120.64 120.05 1hqp n GLU 31 Ca 0.08 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1hqp n GLU 31 Cb 0.54 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1hqp n GLU 31 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hqp n ASN 32 N 7.44 -1.03 -4.82 4.31 5.03 -1.26 -5.00 115.26 119.93 1hqp n ASN 32 Ca 0.44 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.57 1hqp n ASN 32 Cb 0.05 -0.26 0.01 0.00 -1.02 0.00 0.00 39.78 38.57 1hqp n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1hqp s ALA 33 N -3.25 2.80 0.51 5.41 0.00 0.44 -4.64 121.76 123.03 1hqp s ALA 33 Ca 0.00 0.24 0.22 0.00 0.00 0.00 0.00 51.96 52.42 1hqp s ALA 33 Cb 0.00 -3.19 1.32 0.00 0.00 0.00 0.00 23.12 21.25 1hqp s ALA 33 CO 0.00 -0.83 2.01 -1.35 0.00 0.00 0.00 175.76 175.60 1hqp h PRO 34 N 0.13 0.06 -0.00 0.00 0.11 -1.86 -2.65 132.00 127.80 1hqp h PRO 34 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hqp h PRO 34 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hqp h PRO 34 CO 0.58 0.04 -0.26 1.19 -0.21 0.00 0.00 178.00 179.34 1hqp n PHE 35 N -4.42 0.00 -1.12 0.65 3.01 -0.12 -4.52 117.46 110.94 1hqp n PHE 35 Ca 0.08 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.11 1hqp n PHE 35 Cb 0.50 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1hqp n PHE 35 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1hqp n GLN 36 N -1.14 1.36 -2.79 -1.08 7.27 -1.00 -4.86 117.38 115.14 1hqp n GLN 36 Ca 0.10 -1.79 -0.31 0.00 0.07 0.00 0.00 57.00 55.07 1hqp n GLN 36 Cb 0.32 -2.91 -0.04 0.00 2.41 0.00 0.00 30.24 30.03 1hqp n GLN 36 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1hqp s VAL 37 N 5.41 4.68 -0.24 1.69 1.01 -1.26 -4.56 120.40 127.12 1hqp s VAL 37 Ca 0.59 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.42 1hqp s VAL 37 Cb 0.14 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1hqp s VAL 37 CO 0.14 -0.49 0.10 -0.36 0.00 0.00 0.00 175.10 174.50 1hqp s PHE 38 N -2.35 0.53 0.84 5.22 0.08 -1.02 -4.80 117.98 116.48 1hqp s PHE 38 Ca 0.54 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1hqp s PHE 38 Cb -0.10 -0.94 0.10 0.00 -0.57 0.00 0.00 43.02 41.51 1hqp s PHE 38 CO 0.27 -0.71 1.10 1.41 -0.10 0.00 0.00 175.22 177.20 1hqp s MET 39 N 2.03 1.65 0.00 0.44 1.75 -1.26 -0.86 119.30 123.04 1hqp s MET 39 Ca 0.06 1.18 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 1hqp s MET 39 Cb -0.16 -1.83 0.00 0.00 2.84 0.00 0.00 34.83 35.68 1hqp s MET 39 CO -0.23 -2.07 0.00 0.54 -0.65 0.00 0.00 175.02 172.60 1hqp n ARG 40 N -3.81 0.24 -3.53 4.11 5.12 -0.03 -4.38 116.66 114.38 1hqp n ARG 40 Ca 0.09 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.90 1hqp n ARG 40 Cb 0.53 -0.55 -0.04 0.00 -1.16 0.00 0.00 32.46 31.25 1hqp n ARG 40 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1hqp s SER 41 N -1.84 -0.44 -0.22 0.55 0.15 -0.94 -3.07 113.70 107.89 1hqp s SER 41 Ca 0.00 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 1hqp s SER 41 Cb 0.00 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.80 1hqp s SER 41 CO 0.00 -0.54 0.19 -0.63 1.20 0.00 0.00 173.24 173.47 1hqp s ILE 42 N -2.02 -0.25 -0.38 6.45 1.01 -0.23 -2.02 121.20 123.75 1hqp s ILE 42 Ca -0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 1hqp s ILE 42 Cb -0.01 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1hqp s ILE 42 CO -0.02 -0.33 0.42 -1.61 0.00 0.00 0.00 174.94 173.40 1hqp s GLU 43 N 2.26 3.36 -0.27 2.79 8.01 0.80 -2.28 118.70 133.37 1hqp s GLU 43 Ca 0.06 -0.54 -0.16 0.00 0.01 0.00 0.00 54.97 54.34 1hqp s GLU 43 Cb -0.16 -3.88 -0.03 0.00 -4.31 0.00 0.00 34.13 25.75 1hqp s GLU 43 CO -0.17 -0.69 0.44 -0.06 0.01 0.00 0.00 175.26 174.79 1hqp s PHE 44 N 2.12 3.25 -0.83 1.61 0.40 -1.26 0.11 117.98 123.39 1hqp s PHE 44 Ca 0.13 0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.95 1hqp s PHE 44 Cb -0.17 -2.66 0.20 0.00 0.51 0.00 0.00 43.02 40.91 1hqp s PHE 44 CO 0.13 -0.27 0.69 0.34 0.70 0.00 0.00 175.22 176.80 1hqp s ASP 45 N 1.60 5.72 0.67 1.36 3.68 -0.86 -4.87 116.67 123.97 1hqp s ASP 45 Ca 0.18 -3.60 0.42 0.00 2.13 0.00 0.00 52.55 51.68 1hqp s ASP 45 Cb -0.16 -1.86 2.31 0.00 -1.45 0.00 0.00 42.92 41.76 1hqp s ASP 45 CO 0.10 -0.20 2.30 0.44 0.13 0.00 0.00 175.17 177.94 1hqp h ASP 46 N 6.10 0.00 0.09 -0.34 3.32 -1.95 0.64 116.42 124.28 1hqp h ASP 46 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1hqp h ASP 46 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1hqp h ASP 46 CO 0.81 0.00 -0.04 0.11 -1.72 0.00 0.00 179.24 178.40 1hqp h LYS 47 N 0.00 -0.12 -0.01 3.56 1.57 -1.93 -3.10 116.57 116.54 1hqp h LYS 47 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1hqp h LYS 47 Cb 0.11 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1hqp h LYS 47 CO -0.00 -0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.19 1hqp n GLU 48 N -2.34 1.03 -3.39 3.15 1.02 -1.00 -4.92 120.64 114.18 1hqp n GLU 48 Ca -0.02 -0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.90 1hqp n GLU 48 Cb 0.05 -1.26 0.07 0.00 -0.02 0.00 0.00 31.44 30.28 1hqp n GLU 48 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1hqp n SER 49 N -0.71 -5.09 -1.54 1.62 7.64 0.18 -4.87 113.62 110.84 1hqp n SER 49 Ca 0.12 -0.75 -0.04 0.00 1.01 0.00 0.00 58.87 59.21 1hqp n SER 49 Cb 0.06 -4.83 -0.01 0.00 -1.01 0.00 0.00 64.21 58.43 1hqp n SER 49 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1hqp n LYS 50 N -3.63 0.20 -3.61 1.43 5.02 -0.97 -0.82 118.16 115.78 1hqp n LYS 50 Ca -0.14 -0.75 -0.03 0.00 -2.02 0.00 0.00 58.31 55.38 1hqp n LYS 50 Cb 0.63 0.73 -0.05 0.00 -0.02 0.00 0.00 35.03 36.32 1hqp n LYS 50 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1hqp s VAL 51 N -2.55 -0.56 -0.09 -0.18 0.11 0.27 -2.03 120.40 115.37 1hqp s VAL 51 Ca 0.08 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.93 1hqp s VAL 51 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1hqp s VAL 51 CO 0.06 0.00 0.56 -0.31 -3.33 0.00 0.00 175.10 172.07 1hqp s TYR 52 N 2.34 3.54 -0.11 1.54 4.12 0.30 0.91 117.35 130.00 1hqp s TYR 52 Ca -0.07 1.03 0.00 0.00 0.02 0.00 0.00 57.07 58.05 1hqp s TYR 52 Cb -0.08 -2.64 0.02 0.00 -1.52 0.00 0.00 41.96 37.74 1hqp s TYR 52 CO -0.19 0.15 -0.09 -0.51 0.02 0.00 0.00 175.55 174.93 1hqp s LEU 53 N 0.63 1.34 -0.22 -1.29 1.02 0.40 -0.14 118.68 120.42 1hqp s LEU 53 Ca 0.30 -0.33 -0.06 0.00 0.02 0.00 0.00 54.13 54.06 1hqp s LEU 53 Cb -0.16 -0.89 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 1hqp s LEU 53 CO 0.13 -0.08 0.02 0.21 0.02 0.00 0.00 176.35 176.65 1hqp s ASN 54 N 1.50 4.84 -0.00 2.29 3.04 -0.86 -0.38 114.94 125.37 1hqp s ASN 54 Ca 0.02 -0.24 -0.23 0.00 0.04 0.00 0.00 52.86 52.45 1hqp s ASN 54 Cb -0.13 -1.84 0.05 0.00 -1.54 0.00 0.00 41.25 37.78 1hqp s ASN 54 CO -0.07 0.01 0.51 0.72 -3.04 0.00 0.00 177.10 175.24 1hqp s PHE 55 N 1.31 -0.43 0.38 0.43 -0.71 0.15 -0.85 117.98 118.25 1hqp s PHE 55 Ca 0.04 0.62 0.01 0.00 -1.04 0.00 0.00 56.93 56.57 1hqp s PHE 55 Cb -0.15 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1hqp s PHE 55 CO 0.01 -0.56 0.57 -0.06 -1.34 0.00 0.00 175.22 173.85 1hqp s PHE 56 N -1.73 3.37 -0.18 3.49 0.08 -0.04 -0.61 117.98 122.36 1hqp s PHE 56 Ca -0.09 0.24 -0.28 0.00 0.12 0.00 0.00 56.93 56.92 1hqp s PHE 56 Cb -0.02 -2.03 0.09 0.00 -0.57 0.00 0.00 43.02 40.50 1hqp s PHE 56 CO 0.04 -0.04 0.83 -1.12 -0.10 0.00 0.00 175.22 174.84 1hqp s SER 57 N -4.11 -0.58 0.25 1.36 0.01 -0.63 -2.44 113.70 107.56 1hqp s SER 57 Ca 0.43 0.89 -0.02 0.00 1.31 0.00 0.00 55.95 58.55 1hqp s SER 57 Cb -0.10 0.82 -0.05 0.00 0.21 0.00 0.00 66.02 66.91 1hqp s SER 57 CO 0.36 -0.36 0.47 -0.54 0.41 0.00 0.00 173.24 173.59 1hqp s LYS 58 N -0.44 3.57 -0.18 12.44 1.02 -1.26 0.09 119.74 134.99 1hqp s LYS 58 Ca -0.03 -0.19 -0.07 0.00 0.02 0.00 0.00 55.97 55.70 1hqp s LYS 58 Cb -0.03 -2.74 0.08 0.00 -0.52 0.00 0.00 37.83 34.62 1hqp s LYS 58 CO 0.02 0.30 0.38 -1.21 -0.92 0.00 0.00 175.35 173.93 1hqp s GLU 59 N -3.50 0.30 -0.19 1.68 2.02 -0.93 -4.52 118.70 113.56 1hqp s GLU 59 Ca 0.41 0.91 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1hqp s GLU 59 Cb -0.11 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1hqp s GLU 59 CO 0.30 -0.23 0.00 -1.71 0.02 0.00 0.00 175.26 173.64 1hqp n ASN 60 N 5.06 -4.64 0.00 -0.19 4.05 -1.26 -0.99 115.26 117.30 1hqp n ASN 60 Ca -0.12 0.04 0.00 0.00 0.45 0.00 0.00 54.58 54.95 1hqp n ASN 60 Cb 0.51 -2.96 0.00 0.00 1.23 0.00 0.00 39.78 38.56 1hqp n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hqp n GLY 61 N 0.66 1.55 3.87 8.20 0.00 -1.26 -5.10 105.19 113.11 1hqp n GLY 61 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1hqp n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqp s ILE 62 N -2.18 5.30 0.66 -0.61 1.09 -0.16 -5.01 121.20 120.28 1hqp s ILE 62 Ca 0.00 -0.09 -0.16 0.00 -1.10 0.00 0.00 60.65 59.31 1hqp s ILE 62 Cb 0.00 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 1hqp s ILE 62 CO 0.00 0.43 1.14 0.00 -0.10 0.00 0.00 174.94 176.41 1hqp s GLU 64 N -3.94 -0.04 0.04 0.00 2.02 0.11 -4.92 118.70 111.97 1hqp s GLU 64 Ca 0.69 0.23 -0.18 0.00 0.02 0.00 0.00 54.97 55.74 1hqp s GLU 64 Cb -0.23 -0.32 -0.06 0.00 0.10 0.00 0.00 34.13 33.62 1hqp s GLU 64 CO 0.40 -0.21 0.50 -2.00 0.02 0.00 0.00 175.26 173.98 1hqp s GLU 65 N 1.35 4.10 -0.02 1.61 2.12 -1.26 -1.61 118.70 124.99 1hqp s GLU 65 Ca -0.05 0.61 0.04 0.00 0.36 0.00 0.00 54.97 55.92 1hqp s GLU 65 Cb -0.13 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1hqp s GLU 65 CO -0.03 0.64 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.13 1hqp s PHE 66 N -1.04 1.32 -0.39 5.30 0.08 0.22 -4.98 117.98 118.49 1hqp s PHE 66 Ca 0.27 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.06 1hqp s PHE 66 Cb -0.18 -0.86 0.12 0.00 -0.57 0.00 0.00 43.02 41.53 1hqp s PHE 66 CO 0.17 -0.04 0.19 -1.12 -0.10 0.00 0.00 175.22 174.31 1hqp s SER 67 N -0.27 3.72 0.03 1.36 0.01 -1.24 -0.68 113.70 116.63 1hqp s SER 67 Ca 0.04 -2.27 -0.03 0.00 1.31 0.00 0.00 55.95 55.00 1hqp s SER 67 Cb -0.06 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 1hqp s SER 67 CO -0.00 -0.32 0.23 -0.76 0.41 0.00 0.00 173.24 172.80 1hqp s LEU 68 N 0.82 4.36 -0.30 2.44 1.02 0.48 -4.89 118.68 122.62 1hqp s LEU 68 Ca 0.15 0.40 -0.09 0.00 0.02 0.00 0.00 54.13 54.61 1hqp s LEU 68 Cb -0.22 -2.80 -0.01 0.00 0.02 0.00 0.00 46.19 43.17 1hqp s LEU 68 CO -0.07 0.21 0.14 -0.63 0.02 0.00 0.00 176.35 176.02 1hqp s ILE 69 N -1.41 4.58 0.03 -0.59 1.09 -1.26 -0.45 121.20 123.20 1hqp s ILE 69 Ca 0.31 -0.33 -0.15 0.00 -1.10 0.00 0.00 60.65 59.37 1hqp s ILE 69 Cb -0.13 -3.29 -0.06 0.00 -1.06 0.00 0.00 42.46 37.92 1hqp s ILE 69 CO 0.21 0.13 0.45 -0.83 -0.10 0.00 0.00 174.94 174.81 1hqp s GLY 70 N 1.62 2.51 -0.21 6.18 0.00 0.26 -4.71 107.32 112.97 1hqp s GLY 70 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 1hqp s GLY 70 CO 0.06 0.19 0.03 -1.59 0.00 0.00 0.00 173.10 171.80 1hqp s THR 71 N -1.14 4.26 -0.57 0.90 2.01 0.22 -0.56 115.64 120.75 1hqp s THR 71 Ca 0.27 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 1hqp s THR 71 Cb -0.17 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.42 1hqp s THR 71 CO 0.15 0.41 1.34 -0.75 -0.69 0.00 0.00 174.62 175.08 1hqp s LYS 72 N 1.01 3.37 0.33 4.92 2.47 0.00 0.17 119.74 132.01 1hqp s LYS 72 Ca 0.03 0.36 0.04 0.00 -1.56 0.00 0.00 55.97 54.84 1hqp s LYS 72 Cb -0.14 -4.09 -0.02 0.00 -1.46 0.00 0.00 37.83 32.12 1hqp s LYS 72 CO 0.02 -1.86 0.48 -0.65 0.16 0.00 0.00 175.35 173.51 1hqp s GLN 73 N 5.33 3.23 -0.46 4.03 -1.52 0.15 -4.92 119.66 125.51 1hqp s GLN 73 Ca 0.49 -0.78 -0.43 0.00 -1.95 0.00 0.00 55.36 52.69 1hqp s GLN 73 Cb -0.10 -2.78 -0.18 0.00 -0.22 0.00 0.00 33.01 29.74 1hqp s GLN 73 CO 0.25 0.11 2.02 -1.91 -0.25 0.00 0.00 175.29 175.51 1hqp n GLU 74 N -1.67 0.28 0.00 2.91 0.00 -1.26 -3.97 120.64 116.93 1hqp n GLU 74 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1hqp n GLU 74 Cb 0.58 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 30.30 1hqp n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1hqp n GLY 75 N 6.46 0.51 0.96 8.31 0.00 -1.26 -4.58 105.19 115.59 1hqp n GLY 75 Ca 0.46 -2.26 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1hqp n GLY 75 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqp n ASN 76 N 0.07 2.69 -4.72 1.61 3.02 -1.26 -4.90 115.26 111.77 1hqp n ASN 76 Ca 0.00 -2.27 -0.37 0.00 -0.03 0.00 0.00 54.58 51.91 1hqp n ASN 76 Cb 0.00 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 38.65 1hqp n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1hqp s THR 77 N -1.71 5.27 0.25 3.41 2.01 -1.25 -4.51 115.64 119.10 1hqp s THR 77 Ca 0.24 0.64 0.08 0.00 0.31 0.00 0.00 61.69 62.96 1hqp s THR 77 Cb 0.17 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1hqp s THR 77 CO 0.10 0.36 0.14 -0.31 -0.69 0.00 0.00 174.62 174.22 1hqp s TYR 78 N 0.63 3.01 -0.02 4.92 2.02 -1.06 -0.67 117.35 126.17 1hqp s TYR 78 Ca 0.18 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 1hqp s TYR 78 Cb -0.14 -1.36 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1hqp s TYR 78 CO 0.06 0.55 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.88 1hqp s ASP 79 N -3.75 2.27 -0.14 2.29 -0.00 0.45 -3.29 116.67 114.50 1hqp s ASP 79 Ca 0.32 -0.35 -0.20 0.00 -0.00 0.00 0.00 52.55 52.32 1hqp s ASP 79 Cb -0.08 -0.26 0.05 0.00 -0.00 0.00 0.00 42.92 42.64 1hqp s ASP 79 CO 0.23 0.24 0.52 0.54 -0.00 0.00 0.00 175.17 176.70 1hqp s VAL 80 N -0.45 0.01 -0.19 -1.27 0.11 -1.14 0.69 120.40 118.16 1hqp s VAL 80 Ca 0.07 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1hqp s VAL 80 Cb -0.07 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1hqp s VAL 80 CO -0.01 -0.04 0.06 0.21 -3.33 0.00 0.00 175.10 171.99 1hqp s ASN 81 N -0.26 5.56 0.00 3.54 3.84 -1.26 -1.13 114.94 125.23 1hqp s ASN 81 Ca -0.04 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.07 1hqp s ASN 81 Cb -0.03 -1.96 0.00 0.00 -0.55 0.00 0.00 41.25 38.71 1hqp s ASN 81 CO 0.03 0.15 0.00 0.00 -2.79 0.00 0.00 177.10 174.49 1hqp n TYR 82 N 3.72 0.00 -0.57 0.43 9.36 -1.26 -4.92 117.16 123.92 1hqp n TYR 82 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1hqp n TYR 82 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 1hqp n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1hqp n ALA 83 N 0.00 0.00 0.00 2.98 0.00 -1.26 -4.40 120.51 117.83 1hqp n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqp n ALA 83 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1hqp n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqp n GLY 84 N -1.59 0.73 3.87 0.00 0.00 -1.26 -3.74 105.19 103.20 1hqp n GLY 84 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1hqp n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hqp s ASN 85 N -4.00 6.35 -0.05 1.61 3.04 0.08 -4.48 114.94 117.50 1hqp s ASN 85 Ca 0.00 1.41 -0.07 0.00 0.04 0.00 0.00 52.86 54.23 1hqp s ASN 85 Cb 0.00 -2.46 0.01 0.00 -1.54 0.00 0.00 41.25 37.27 1hqp s ASN 85 CO 0.00 -0.75 0.18 0.20 -3.04 0.00 0.00 177.10 173.69 1hqp s ASN 86 N -3.82 -0.13 -0.05 -4.21 0.01 -0.29 -1.40 114.94 105.05 1hqp s ASN 86 Ca 0.55 0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 52.87 1hqp s ASN 86 Cb -0.11 0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.91 1hqp s ASN 86 CO 0.46 -0.18 0.03 -0.54 -1.51 0.00 0.00 177.10 175.35 1hqp s LYS 87 N -0.44 0.25 0.06 -0.60 1.02 -0.43 -2.88 119.74 116.72 1hqp s LYS 87 Ca -0.05 0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.14 1hqp s LYS 87 Cb -0.04 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1hqp s LYS 87 CO 0.01 -0.29 0.00 -0.59 -0.92 0.00 0.00 175.35 173.56 1hqp s PHE 88 N 1.91 0.53 -0.10 3.18 -0.71 -1.21 0.21 117.98 121.79 1hqp s PHE 88 Ca 0.03 -1.04 -0.18 0.00 -1.04 0.00 0.00 56.93 54.70 1hqp s PHE 88 Cb -0.12 -0.37 0.04 0.00 -1.21 0.00 0.00 43.02 41.36 1hqp s PHE 88 CO -0.04 -0.42 0.44 0.54 -1.34 0.00 0.00 175.22 174.40 1hqp s VAL 89 N -3.93 0.02 -0.79 -2.49 0.11 -0.60 -2.57 120.40 110.15 1hqp s VAL 89 Ca 0.09 -0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 58.71 1hqp s VAL 89 Cb 0.08 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1hqp s VAL 89 CO -0.09 -0.09 1.33 -0.69 -3.33 0.00 0.00 175.10 172.24 1hqp s VAL 90 N -0.50 3.74 -1.00 2.04 1.01 -1.26 -2.45 120.40 121.97 1hqp s VAL 90 Ca -0.06 0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.22 1hqp s VAL 90 Cb -0.03 -4.91 0.09 0.00 0.00 0.00 0.00 36.38 31.53 1hqp s VAL 90 CO 0.03 -1.84 1.35 -1.20 0.00 0.00 0.00 175.10 173.45 1hqp n SER 91 N 9.44 0.00 0.00 3.32 7.64 -0.86 -4.81 113.62 128.35 1hqp n SER 91 Ca 0.09 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1hqp n SER 91 Cb 0.49 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1hqp n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hqp n TYR 92 N -1.50 0.00 -3.66 1.43 9.36 -1.20 -5.04 117.16 116.55 1hqp n TYR 92 Ca 0.03 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.12 1hqp n TYR 92 Cb 0.13 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.78 1hqp n TYR 92 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1hqp s ALA 93 N -2.00 -1.01 0.33 2.98 0.00 -1.26 -2.67 121.76 118.13 1hqp s ALA 93 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1hqp s ALA 93 Cb 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 1hqp s ALA 93 CO 0.00 -0.48 0.43 -1.54 0.00 0.00 0.00 175.76 174.17 1hqp s SER 94 N -2.11 0.96 0.32 0.00 1.04 -1.13 -5.02 113.70 107.77 1hqp s SER 94 Ca -0.04 -1.50 0.06 0.00 0.48 0.00 0.00 55.95 54.95 1hqp s SER 94 Cb -0.00 0.63 0.56 0.00 0.10 0.00 0.00 66.02 67.31 1hqp s SER 94 CO -0.04 -1.24 1.79 -0.33 0.98 0.00 0.00 173.24 174.41 1hqp h GLU 95 N 2.14 0.34 0.00 4.02 5.08 -2.00 -3.29 114.58 120.86 1hqp h GLU 95 Ca -0.28 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1hqp h GLU 95 Cb 1.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1hqp h GLU 95 CO 0.39 0.56 -1.06 1.79 -1.00 0.00 0.00 179.01 179.69 1hqp h THR 96 N 0.30 0.10 -4.19 1.13 1.35 -1.96 -3.49 112.91 106.16 1hqp h THR 96 Ca 0.05 -1.19 -0.16 0.00 -0.55 0.00 0.00 66.41 64.56 1hqp h THR 96 Cb 0.58 1.61 -0.13 0.00 -1.73 0.00 0.00 68.15 68.49 1hqp h THR 96 CO 0.04 0.06 -0.43 0.00 -0.25 0.00 0.00 175.52 174.93 1hqp s ALA 97 N -3.28 0.53 -0.19 6.62 0.00 -1.24 -3.61 121.76 120.59 1hqp s ALA 97 Ca -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 1hqp s ALA 97 Cb 0.09 1.13 0.08 0.00 0.00 0.00 0.00 23.12 24.42 1hqp s ALA 97 CO 0.79 -0.66 0.14 -1.17 0.00 0.00 0.00 175.76 174.86 1hqp s LEU 98 N -3.07 0.21 -0.35 0.00 2.96 1.35 -2.83 118.68 116.96 1hqp s LEU 98 Ca 0.28 -0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.48 1hqp s LEU 98 Cb 0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.68 1hqp s LEU 98 CO 0.07 -0.35 0.35 -0.63 -1.32 0.00 0.00 176.35 174.47 1hqp s ILE 99 N 2.20 5.18 0.25 6.68 1.01 -1.09 0.41 121.20 135.85 1hqp s ILE 99 Ca 0.04 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.74 1hqp s ILE 99 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1hqp s ILE 99 CO -0.13 -0.11 0.09 -0.51 0.00 0.00 0.00 174.94 174.28 1hqp s ILE 100 N 1.97 3.94 -0.01 2.92 -1.16 0.46 -2.03 121.20 127.28 1hqp s ILE 100 Ca 0.11 -1.65 0.03 0.00 -0.51 0.00 0.00 60.65 58.62 1hqp s ILE 100 Cb -0.17 -3.11 -0.00 0.00 0.61 0.00 0.00 42.46 39.79 1hqp s ILE 100 CO 0.12 -0.35 -0.08 -0.44 -2.81 0.00 0.00 174.94 171.37 1hqp s SER 101 N -3.72 1.06 -0.02 4.50 0.01 -1.03 0.18 113.70 114.68 1hqp s SER 101 Ca 0.32 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 1hqp s SER 101 Cb -0.07 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1hqp s SER 101 CO 0.22 0.09 0.05 0.21 0.41 0.00 0.00 173.24 174.22 1hqp s ASN 102 N -0.03 -0.01 -0.43 2.44 3.84 -0.95 -1.56 114.94 118.23 1hqp s ASN 102 Ca 0.01 0.10 -0.13 0.00 0.21 0.00 0.00 52.86 53.04 1hqp s ASN 102 Cb -0.05 0.05 0.06 0.00 -0.55 0.00 0.00 41.25 40.75 1hqp s ASN 102 CO -0.00 -0.07 0.32 -0.63 -2.79 0.00 0.00 177.10 173.93 1hqp s ILE 103 N 0.54 4.90 0.18 -5.21 1.01 0.55 -2.43 121.20 120.76 1hqp s ILE 103 Ca -0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1hqp s ILE 103 Cb -0.06 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 1hqp s ILE 103 CO -0.02 -0.46 0.45 0.21 0.00 0.00 0.00 174.94 175.12 1hqp s ASN 104 N 2.17 6.55 -0.17 3.58 3.84 -0.89 -1.31 114.94 128.71 1hqp s ASN 104 Ca 0.04 0.74 -0.02 0.00 0.21 0.00 0.00 52.86 53.82 1hqp s ASN 104 Cb -0.22 -2.15 0.05 0.00 -0.55 0.00 0.00 41.25 38.38 1hqp s ASN 104 CO 0.06 -0.00 0.02 -0.69 -2.79 0.00 0.00 177.10 173.70 1hqp s VAL 105 N -1.73 0.54 0.86 -5.21 1.01 -0.49 -2.16 120.40 113.21 1hqp s VAL 105 Ca 0.44 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1hqp s VAL 105 Cb -0.12 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.39 1hqp s VAL 105 CO 0.23 -0.12 1.15 1.51 0.00 0.00 0.00 175.10 177.88 1hqp s ASP 106 N 1.86 4.01 0.00 3.32 1.47 -0.77 -0.74 116.67 125.81 1hqp s ASP 106 Ca 0.00 0.89 0.00 0.00 1.18 0.00 0.00 52.55 54.62 1hqp s ASP 106 Cb -0.16 -1.44 0.00 0.00 -0.34 0.00 0.00 42.92 40.98 1hqp s ASP 106 CO -0.07 -2.23 0.25 -0.62 0.68 0.00 0.00 175.17 173.18 1hqp n GLU 107 N -3.54 0.41 0.00 2.11 1.02 -1.25 0.85 120.64 120.24 1hqp n GLU 107 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1hqp n GLU 107 Cb 0.60 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1hqp n GLU 107 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hqp n GLU 108 N 0.12 0.00 -0.99 3.49 1.02 -1.26 -5.02 120.64 118.00 1hqp n GLU 108 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1hqp n GLU 108 Cb 0.08 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 1hqp n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hqp n GLY 109 N -0.00 0.65 3.75 0.62 0.00 0.25 -5.02 105.19 105.44 1hqp n GLY 109 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1hqp n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqp s ASP 110 N -2.36 6.93 0.00 1.61 1.01 -1.26 -4.69 116.67 117.91 1hqp s ASP 110 Ca 0.00 2.48 -0.16 0.00 0.71 0.00 0.00 52.55 55.58 1hqp s ASP 110 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1hqp s ASP 110 CO 0.00 -0.44 0.44 -0.75 0.21 0.00 0.00 175.17 174.63 1hqp s LYS 111 N -1.05 4.01 -0.12 8.23 2.20 -1.26 -1.85 119.74 129.89 1hqp s LYS 111 Ca 0.51 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.51 1hqp s LYS 111 Cb -0.37 -3.24 0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1hqp s LYS 111 CO 0.44 0.63 0.30 0.99 -0.36 0.00 0.00 175.35 177.36 1hqp s THR 112 N -0.92 -0.03 -0.17 3.43 2.01 -0.92 -5.01 115.64 114.03 1hqp s THR 112 Ca 0.25 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 1hqp s THR 112 Cb -0.17 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1hqp s THR 112 CO 0.14 0.04 0.01 -0.51 -0.69 0.00 0.00 174.62 173.61 1hqp s ILE 113 N 1.05 4.35 0.14 1.82 1.10 -1.26 -2.08 121.20 126.32 1hqp s ILE 113 Ca -0.07 -0.19 0.03 0.00 -0.51 0.00 0.00 60.65 59.90 1hqp s ILE 113 Cb -0.08 -2.93 -0.04 0.00 0.15 0.00 0.00 42.46 39.56 1hqp s ILE 113 CO -0.08 0.48 -0.06 -0.04 -2.11 0.00 0.00 174.94 173.13 1hqp s MET 114 N 0.31 1.02 0.02 3.50 -1.94 -1.02 0.16 119.30 121.34 1hqp s MET 114 Ca -0.00 -1.45 0.02 0.00 -1.71 0.00 0.00 55.69 52.56 1hqp s MET 114 Cb -0.13 -0.41 -0.01 0.00 2.01 0.00 0.00 34.83 36.28 1hqp s MET 114 CO 0.02 -0.01 -0.08 0.95 -0.01 0.00 0.00 175.02 175.89 1hqp s THR 115 N -3.50 0.57 -0.09 2.05 -4.23 -0.72 -2.25 115.64 107.47 1hqp s THR 115 Ca 0.17 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1hqp s THR 115 Cb 0.04 -0.54 0.04 0.00 1.34 0.00 0.00 72.50 73.38 1hqp s THR 115 CO 0.00 -0.08 0.08 -0.83 -0.54 0.00 0.00 174.62 173.25 1hqp s GLY 116 N -0.79 0.26 -0.35 3.99 0.00 0.48 0.16 107.32 111.06 1hqp s GLY 116 Ca -0.02 0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 1hqp s GLY 116 CO 0.00 1.53 0.74 -2.27 0.00 0.00 0.00 173.10 173.10 1hqp s LEU 117 N 2.16 4.15 0.02 0.66 2.96 -0.46 0.17 118.68 128.34 1hqp s LEU 117 Ca 0.04 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1hqp s LEU 117 Cb -0.14 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1hqp s LEU 117 CO -0.05 -0.66 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.54 1hqp s LEU 118 N 2.95 3.42 0.30 -0.68 2.01 1.38 -1.85 118.68 126.21 1hqp s LEU 118 Ca 0.30 -0.08 -0.17 0.00 0.01 0.00 0.00 54.13 54.18 1hqp s LEU 118 Cb -0.14 -2.00 0.02 0.00 0.01 0.00 0.00 46.19 44.08 1hqp s LEU 118 CO 0.15 0.26 0.68 -0.83 1.01 0.00 0.00 176.35 177.62 1hqp s GLY 119 N -1.68 0.22 -0.70 -3.19 0.00 -0.80 0.41 107.32 101.57 1hqp s GLY 119 Ca 0.20 -0.58 -0.20 0.00 0.00 0.00 0.00 44.72 44.14 1hqp s GLY 119 CO 0.11 -0.29 0.88 0.54 0.00 0.00 0.00 173.10 174.34 1hqp s LYS 120 N -3.52 3.22 1.33 2.90 1.02 -1.24 -0.57 119.74 122.89 1hqp s LYS 120 Ca 0.15 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1hqp s LYS 120 Cb -0.04 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 32.86 1hqp s LYS 120 CO 0.09 -1.66 0.00 0.41 -0.92 0.00 0.00 175.35 173.27 1hqp n GLY 121 N 5.26 -1.87 0.10 -3.33 0.00 -1.26 -4.46 105.19 99.62 1hqp n GLY 121 Ca 0.01 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.74 1hqp n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hqp n THR 122 N 0.00 0.66 -2.73 2.61 -2.24 -1.26 -4.76 114.28 106.57 1hqp n THR 122 Ca 0.00 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1hqp n THR 122 Cb 0.00 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.38 1hqp n THR 122 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hqp s ASP 123 N -4.18 6.69 -0.18 3.42 1.01 -1.26 -5.00 116.67 117.17 1hqp s ASP 123 Ca 0.08 -2.05 -0.15 0.00 0.71 0.00 0.00 52.55 51.14 1hqp s ASP 123 Cb 0.12 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1hqp s ASP 123 CO 0.49 -1.20 0.36 -0.63 0.21 0.00 0.00 175.17 174.40 1hqp s ILE 124 N 3.67 5.24 0.09 0.77 1.09 -1.26 -4.94 121.20 125.86 1hqp s ILE 124 Ca 0.43 0.65 -0.14 0.00 -1.10 0.00 0.00 60.65 60.49 1hqp s ILE 124 Cb -0.01 -3.69 -0.06 0.00 -1.06 0.00 0.00 42.46 37.63 1hqp s ILE 124 CO -0.05 0.31 0.49 -1.83 -0.10 0.00 0.00 174.94 173.76 1hqp s GLU 125 N 0.97 3.95 0.58 2.79 1.03 -1.26 -4.97 118.70 121.79 1hqp s GLU 125 Ca 0.18 0.44 0.32 0.00 0.03 0.00 0.00 54.97 55.94 1hqp s GLU 125 Cb -0.14 -3.05 1.39 0.00 -0.80 0.00 0.00 34.13 31.53 1hqp s GLU 125 CO 0.07 0.56 1.73 -0.44 -1.33 0.00 0.00 175.26 175.85 1hqp h ASP 126 N 3.97 0.00 0.93 0.83 3.32 -1.98 -2.05 116.42 121.45 1hqp h ASP 126 Ca -0.49 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 1hqp h ASP 126 Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.76 1hqp h ASP 126 CO 0.65 0.00 -0.45 -0.61 -1.72 0.00 0.00 179.24 177.11 1hqp h GLN 127 N 0.00 -1.21 -0.61 3.56 5.75 -1.99 0.10 115.11 120.72 1hqp h GLN 127 Ca 0.41 0.08 0.02 0.00 -0.15 0.00 0.00 58.65 59.01 1hqp h GLN 127 Cb 1.98 0.27 -0.04 0.00 1.07 0.00 0.00 27.48 30.77 1hqp h GLN 127 CO -0.00 -0.80 0.38 -0.44 -2.65 0.00 0.00 178.83 175.31 1hqp h ASP 128 N -1.28 0.62 -0.81 -0.69 3.32 -1.79 -1.26 116.42 114.52 1hqp h ASP 128 Ca -0.13 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1hqp h ASP 128 Cb 0.96 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1hqp h ASP 128 CO 0.21 0.43 0.45 0.25 -1.72 0.00 0.00 179.24 178.86 1hqp h LEU 129 N 0.74 1.00 -1.12 1.55 7.12 -1.40 0.93 115.31 124.14 1hqp h LEU 129 Ca 0.24 -0.09 -0.05 0.00 0.13 0.00 0.00 57.88 58.10 1hqp h LEU 129 Cb 0.01 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 39.86 1hqp h LEU 129 CO -0.10 0.81 0.04 -0.33 -0.13 0.00 0.00 178.44 178.73 1hqp h GLU 130 N 1.12 0.66 0.20 1.25 4.39 -0.22 -2.53 114.58 119.44 1hqp h GLU 130 Ca 0.28 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1hqp h GLU 130 Cb 0.02 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1hqp h GLU 130 CO -0.05 0.65 -0.09 0.87 -1.16 0.00 0.00 179.01 179.23 1hqp h LYS 131 N 0.63 -0.26 -0.67 2.33 1.79 -0.08 -2.70 116.57 117.62 1hqp h LYS 131 Ca 0.13 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.75 1hqp h LYS 131 Cb 0.34 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.96 1hqp h LYS 131 CO 0.01 -0.01 0.22 0.35 -1.08 0.00 0.00 179.45 178.94 1hqp h PHE 132 N -0.48 0.37 -0.31 -1.35 3.57 -0.63 -0.46 116.94 117.65 1hqp h PHE 132 Ca -0.03 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1hqp h PHE 132 Cb 0.37 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1hqp h PHE 132 CO -0.00 0.03 0.11 0.87 -2.23 0.00 0.00 178.31 177.09 1hqp h LYS 133 N 0.37 0.24 -0.00 1.11 1.57 -1.44 0.32 116.57 118.73 1hqp h LYS 133 Ca 0.36 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1hqp h LYS 133 Cb 0.53 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1hqp h LYS 133 CO -0.39 0.16 -0.26 1.49 -0.57 0.00 0.00 179.45 179.87 1hqp h GLU 134 N 0.24 -0.39 -0.21 3.15 4.81 -0.80 0.33 114.58 121.72 1hqp h GLU 134 Ca 0.14 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1hqp h GLU 134 Cb 0.11 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1hqp h GLU 134 CO -0.14 -0.26 -0.05 0.28 -0.73 0.00 0.00 179.01 178.11 1hqp h VAL 135 N -0.40 1.16 -0.31 0.32 2.07 -0.66 0.50 116.25 118.93 1hqp h VAL 135 Ca 0.06 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1hqp h VAL 135 Cb 0.49 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1hqp h VAL 135 CO -0.23 0.22 0.11 0.74 0.02 0.00 0.00 177.57 178.43 1hqp h THR 136 N 0.31 1.19 0.39 2.57 2.02 0.36 0.39 112.91 120.13 1hqp h THR 136 Ca 0.07 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1hqp h THR 136 Cb 0.29 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1hqp h THR 136 CO 0.01 0.20 -0.38 -0.09 0.37 0.00 0.00 175.52 175.63 1hqp h ARG 137 N 0.35 -0.74 -0.95 6.66 2.43 0.14 -1.31 114.38 120.96 1hqp h ARG 137 Ca 0.10 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.60 1hqp h ARG 137 Cb 0.21 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1hqp h ARG 137 CO -0.01 -0.49 0.69 0.93 -1.51 0.00 0.00 179.97 179.58 1hqp h GLU 138 N -0.77 0.00 -0.01 0.20 5.08 0.02 1.12 114.58 120.23 1hqp h GLU 138 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1hqp h GLU 138 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1hqp h GLU 138 CO -0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.05 1hqp n ASN 139 N -4.24 0.16 -0.01 1.42 3.02 0.12 -4.91 115.26 110.82 1hqp n ASN 139 Ca 0.20 -1.19 -0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1hqp n ASN 139 Cb 1.02 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 40.18 1hqp n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqp n GLY 140 N 0.95 0.47 3.81 7.41 0.00 0.39 -5.01 105.19 113.21 1hqp n GLY 140 Ca 0.20 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1hqp n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqp s ILE 141 N -1.98 4.99 0.33 -0.61 1.01 -0.92 -5.03 121.20 119.00 1hqp s ILE 141 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 1hqp s ILE 141 Cb 0.00 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 1hqp s ILE 141 CO 0.00 0.53 1.37 -2.65 0.00 0.00 0.00 174.94 174.19 1hqp n PRO 142 N 2.13 2.26 0.28 2.79 -0.02 -1.26 -4.16 135.00 137.02 1hqp n PRO 142 Ca -0.12 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1hqp n PRO 142 Cb 0.52 -2.43 0.84 0.00 -0.02 0.00 0.00 33.50 32.40 1hqp n PRO 142 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1hqp h GLU 143 N 3.05 0.00 0.00 -0.52 4.81 -1.94 -1.89 114.58 118.10 1hqp h GLU 143 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1hqp h GLU 143 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1hqp h GLU 143 CO 0.66 0.03 0.00 -0.85 -0.73 0.00 0.00 179.01 178.12 1hqp n GLU 144 N -3.92 0.93 -0.64 1.92 -0.00 -1.26 -3.51 120.64 114.16 1hqp n GLU 144 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.21 1hqp n GLU 144 Cb 0.11 -1.43 0.33 0.00 -0.00 0.00 0.00 31.44 30.45 1hqp n GLU 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1hqp n ASN 145 N -0.93 4.74 -4.84 -1.84 5.03 -0.71 -4.94 115.26 111.77 1hqp n ASN 145 Ca 0.19 -2.76 -0.37 0.00 0.87 0.00 0.00 54.58 52.51 1hqp n ASN 145 Cb 0.09 -0.58 -0.06 0.00 -1.02 0.00 0.00 39.78 38.20 1hqp n ASN 145 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1hqp s ILE 146 N -2.42 5.23 0.00 2.41 1.01 -1.23 -3.34 121.20 122.87 1hqp s ILE 146 Ca 0.48 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.59 1hqp s ILE 146 Cb 0.35 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 39.24 1hqp s ILE 146 CO 0.16 0.57 0.24 -0.69 0.00 0.00 0.00 174.94 175.22 1hqp s VAL 147 N -0.90 0.08 -0.03 2.92 1.01 -1.22 -5.01 120.40 117.25 1hqp s VAL 147 Ca 0.20 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1hqp s VAL 147 Cb -0.15 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1hqp s VAL 147 CO 0.09 -0.34 1.36 0.21 0.00 0.00 0.00 175.10 176.42 1hqp s ASN 148 N -1.51 6.89 -0.01 3.32 3.84 -1.26 -3.63 114.94 122.58 1hqp s ASN 148 Ca -0.12 2.02 0.07 0.00 0.21 0.00 0.00 52.86 55.04 1hqp s ASN 148 Cb -0.05 -2.56 -0.11 0.00 -0.55 0.00 0.00 41.25 37.98 1hqp s ASN 148 CO 0.02 -0.70 0.20 0.00 -2.79 0.00 0.00 177.10 173.82 1hqp n ILE 149 N 4.75 0.00 -0.05 -5.21 0.13 -0.81 -4.63 119.36 113.54 1hqp n ILE 149 Ca 0.13 -0.21 -0.05 0.00 -1.10 0.00 0.00 62.75 61.52 1hqp n ILE 149 Cb 0.44 0.48 0.17 0.00 -0.84 0.00 0.00 39.64 39.89 1hqp n ILE 149 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 1hqp h ILE 150 N 0.00 1.25 0.00 9.51 6.09 -1.64 -2.57 117.51 130.16 1hqp h ILE 150 Ca 0.00 -1.16 -0.01 0.00 -1.37 0.00 0.00 64.86 62.32 1hqp h ILE 150 Cb 0.30 1.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.71 1hqp h ILE 150 CO 0.00 0.39 -0.07 -0.08 -3.07 0.00 0.00 178.15 175.32 1hqp h GLU 151 N 0.60 0.00 -0.06 2.19 4.81 -1.90 -1.89 114.58 118.32 1hqp h GLU 151 Ca 0.10 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.10 1hqp h GLU 151 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1hqp h GLU 151 CO 0.04 0.07 -0.89 -0.09 -0.73 0.00 0.00 179.01 177.41 1hqp h ARG 152 N 0.00 0.64 -5.30 1.92 9.65 -1.74 -3.45 114.38 116.09 1hqp h ARG 152 Ca -0.00 -0.60 -0.31 0.00 -1.10 0.00 0.00 59.98 57.97 1hqp h ARG 152 Cb 0.18 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1hqp h ARG 152 CO 0.01 1.21 1.23 -3.47 2.80 0.00 0.00 179.97 181.75 1hqp n ASP 153 N -3.86 1.09 -0.79 -3.80 2.03 -0.71 -4.78 116.55 105.73 1hqp n ASP 153 Ca -0.08 -0.69 0.07 0.00 0.52 0.00 0.00 54.79 54.61 1hqp n ASP 153 Cb 0.80 -1.29 0.19 0.00 -0.72 0.00 0.00 41.12 40.10 1hqp n ASP 153 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1hqp n ASP 154 N 13.91 3.19 -4.84 1.67 3.85 -1.26 -5.02 116.55 128.06 1hqp n ASP 154 Ca 0.51 -2.07 -0.31 0.00 -0.71 0.00 0.00 54.79 52.21 1hqp n ASP 154 Cb 0.34 -0.30 0.01 0.00 -1.35 0.00 0.00 41.12 39.82 1hqp n ASP 154 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1hqp s PRO 156 N -4.77 3.61 0.00 0.00 0.02 -1.26 -5.16 135.00 127.44 1hqp s PRO 156 Ca 0.58 1.97 0.31 0.00 0.02 0.00 0.00 61.00 63.89 1hqp s PRO 156 Cb -0.12 -2.42 1.77 0.00 0.02 0.00 0.00 34.50 33.74 1hqp s PRO 156 CO 0.47 -0.73 2.15 0.00 -0.33 0.00 0.00 177.00 178.56