#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqq h ILE 17 N 0.00 1.06 -2.59 -0.61 2.04 -1.98 -3.46 117.51 111.97 1hqq h ILE 17 Ca 0.00 -2.66 -0.56 0.00 1.00 0.00 0.00 64.86 62.65 1hqq h ILE 17 Cb 0.00 2.79 0.07 0.00 -0.74 0.00 0.00 36.82 38.93 1hqq h ILE 17 CO 0.00 0.83 0.86 0.41 0.00 0.00 0.00 178.15 180.25 1hqq n THR 18 N -3.54 0.26 -0.22 -0.27 -1.04 -1.26 -4.80 114.28 103.41 1hqq n THR 18 Ca -0.20 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1hqq n THR 18 Cb 1.07 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 1hqq n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqq n GLY 19 N 3.27 0.89 3.66 3.41 0.00 0.26 -5.00 105.19 111.68 1hqq n GLY 19 Ca 0.15 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 1hqq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hqq s THR 20 N -2.71 4.77 0.12 2.61 2.01 -1.26 -1.05 115.64 120.12 1hqq s THR 20 Ca 0.00 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1hqq s THR 20 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1hqq s THR 20 CO 0.00 0.49 -0.20 0.26 -0.69 0.00 0.00 174.62 174.49 1hqq s TRP 21 N 0.09 1.76 0.01 4.92 0.52 0.12 -4.65 118.94 121.71 1hqq s TRP 21 Ca 0.05 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 55.78 1hqq s TRP 21 Cb -0.12 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1hqq s TRP 21 CO 0.01 0.23 -0.16 0.71 0.02 0.00 0.00 176.95 177.76 1hqq s TYR 22 N -1.46 1.38 0.30 -1.98 2.02 -0.22 -0.23 117.35 117.16 1hqq s TYR 22 Ca 0.09 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1hqq s TYR 22 Cb -0.09 -0.86 0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1hqq s TYR 22 CO 0.05 0.01 0.26 0.27 -1.57 0.00 0.00 175.55 174.57 1hqq n ASN 23 N 2.33 1.78 -0.03 2.29 6.94 -1.10 -0.60 115.26 126.87 1hqq n ASN 23 Ca -0.16 -1.97 0.13 0.00 -0.02 0.00 0.00 54.58 52.56 1hqq n ASN 23 Cb 0.55 -0.06 0.51 0.00 -2.36 0.00 0.00 39.78 38.41 1hqq n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hqq n GLN 24 N -1.28 0.18 0.00 -3.83 3.00 -1.26 -3.81 117.38 110.39 1hqq n GLN 24 Ca 0.01 -0.06 0.12 0.00 -0.01 0.00 0.00 57.00 57.06 1hqq n GLN 24 Cb 0.33 -1.50 0.24 0.00 0.00 0.00 0.00 30.24 29.31 1hqq n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1hqq n LEU 25 N -1.36 0.52 0.00 1.08 4.77 -1.26 -4.94 117.00 115.81 1hqq n LEU 25 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1hqq n LEU 25 Cb 0.32 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1hqq n LEU 25 CO 0.29 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1hqq n GLY 26 N 1.50 1.10 3.85 -0.72 0.00 -1.25 -5.01 105.19 104.67 1hqq n GLY 26 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1hqq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqq s SER 27 N -2.00 5.88 -0.11 1.61 0.01 -1.26 -0.42 113.70 117.41 1hqq s SER 27 Ca 0.00 0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.33 1hqq s SER 27 Cb 0.00 -1.66 -0.00 0.00 0.21 0.00 0.00 66.02 64.57 1hqq s SER 27 CO 0.00 0.10 -0.21 -0.89 0.41 0.00 0.00 173.24 172.65 1hqq s THR 28 N -1.64 2.34 -0.32 1.44 2.01 0.13 -2.72 115.64 116.89 1hqq s THR 28 Ca 0.32 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1hqq s THR 28 Cb -0.11 -1.92 0.06 0.00 0.01 0.00 0.00 72.50 70.53 1hqq s THR 28 CO 0.25 0.55 0.04 0.12 -0.69 0.00 0.00 174.62 174.89 1hqq s PHE 29 N 0.36 3.30 -0.31 4.92 5.36 0.68 -0.80 117.98 131.51 1hqq s PHE 29 Ca -0.16 -1.89 -0.09 0.00 -0.96 0.00 0.00 56.93 53.84 1hqq s PHE 29 Cb -0.17 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.25 1hqq s PHE 29 CO 0.08 -0.81 0.13 0.42 -1.46 0.00 0.00 175.22 173.57 1hqq s ILE 30 N 1.26 4.34 0.06 3.12 1.01 -0.28 0.15 121.20 130.86 1hqq s ILE 30 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1hqq s ILE 30 Cb -0.20 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1hqq s ILE 30 CO -0.01 0.06 -0.08 0.54 0.00 0.00 0.00 174.94 175.44 1hqq s VAL 31 N 1.56 0.65 -0.10 2.92 0.11 -0.22 -1.10 120.40 124.23 1hqq s VAL 31 Ca 0.04 -1.32 0.03 0.00 -2.93 0.00 0.00 61.98 57.79 1hqq s VAL 31 Cb -0.17 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1hqq s VAL 31 CO 0.05 -0.49 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.24 1hqq s THR 32 N -1.93 1.81 -0.37 5.04 2.01 0.10 -0.57 115.64 121.73 1hqq s THR 32 Ca -0.04 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 1hqq s THR 32 Cb -0.06 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1hqq s THR 32 CO -0.01 0.50 0.24 0.00 -0.69 0.00 0.00 174.62 174.67 1hqq s ALA 33 N 0.57 3.40 0.66 7.40 0.00 -1.26 -2.18 121.76 130.36 1hqq s ALA 33 Ca -0.14 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.09 1hqq s ALA 33 Cb -0.17 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1hqq s ALA 33 CO 0.05 -1.25 1.06 0.20 0.00 0.00 0.00 175.76 175.82 1hqq s GLY 34 N 1.65 1.84 0.52 0.00 0.00 0.59 -4.91 107.32 107.01 1hqq s GLY 34 Ca 0.04 0.21 0.34 0.00 0.00 0.00 0.00 44.72 45.31 1hqq s GLY 34 CO 0.09 0.52 2.01 0.00 0.00 0.00 0.00 173.10 175.72 1hqq h ALA 35 N -0.31 1.00 -0.00 3.20 0.00 -1.98 -2.54 119.26 118.63 1hqq h ALA 35 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1hqq h ALA 35 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1hqq h ALA 35 CO 0.57 0.00 -0.27 -0.40 0.00 0.00 0.00 179.25 179.14 1hqq n ASP 36 N -2.93 0.52 0.00 0.00 3.85 -1.26 -4.91 116.55 111.82 1hqq n ASP 36 Ca 0.00 -0.34 0.00 0.00 -0.71 0.00 0.00 54.79 53.74 1hqq n ASP 36 Cb 0.24 0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 1hqq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hqq n GLY 37 N 1.41 1.14 3.85 6.12 0.00 -0.96 -4.91 105.19 111.85 1hqq n GLY 37 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1hqq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqq s ALA 38 N -2.00 3.55 -0.11 4.61 0.00 -1.26 -1.17 121.76 125.38 1hqq s ALA 38 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1hqq s ALA 38 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1hqq s ALA 38 CO 0.00 0.45 -0.19 -0.51 0.00 0.00 0.00 175.76 175.51 1hqq s LEU 39 N -2.26 1.92 0.02 0.00 1.43 -0.24 -0.30 118.68 119.25 1hqq s LEU 39 Ca 0.42 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1hqq s LEU 39 Cb -0.14 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1hqq s LEU 39 CO 0.20 0.07 -0.02 0.42 0.23 0.00 0.00 176.35 177.25 1hqq s THR 40 N 0.72 0.10 -3.72 5.49 -4.23 -0.93 -0.74 115.64 112.33 1hqq s THR 40 Ca -0.11 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1hqq s THR 40 Cb -0.16 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.44 1hqq s THR 40 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1hqq n GLY 41 N 1.75 -0.56 3.00 3.99 0.00 -1.01 -0.72 105.19 111.65 1hqq n GLY 41 Ca -0.23 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1hqq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hqq s THR 42 N -3.80 0.12 -0.12 2.61 -4.23 -0.26 -1.91 115.64 108.06 1hqq s THR 42 Ca 0.00 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1hqq s THR 42 Cb 0.00 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1hqq s THR 42 CO 0.00 -0.57 -0.22 -0.47 -0.54 0.00 0.00 174.62 172.82 1hqq s TYR 43 N -1.82 2.63 0.21 3.99 6.14 0.15 -1.12 117.35 127.53 1hqq s TYR 43 Ca -0.13 -1.16 -0.05 0.00 0.64 0.00 0.00 57.07 56.38 1hqq s TYR 43 Cb -0.07 -1.77 -0.03 0.00 0.42 0.00 0.00 41.96 40.50 1hqq s TYR 43 CO -0.02 -0.50 0.24 -1.83 0.64 0.00 0.00 175.55 174.08 1hqq s GLU 44 N 0.58 1.30 0.86 4.97 -1.05 0.02 -0.98 118.70 124.41 1hqq s GLU 44 Ca -0.13 -1.51 -0.12 0.00 -0.15 0.00 0.00 54.97 53.06 1hqq s GLU 44 Cb -0.17 0.33 0.11 0.00 -0.44 0.00 0.00 34.13 33.97 1hqq s GLU 44 CO 0.04 -0.47 1.16 -1.54 0.95 0.00 0.00 175.26 175.40 1hqq s SER 45 N -3.11 3.96 0.27 0.83 1.04 -1.24 0.21 113.70 115.66 1hqq s SER 45 Ca 0.34 0.87 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 1hqq s SER 45 Cb 0.05 -1.41 0.61 0.00 0.10 0.00 0.00 66.02 65.37 1hqq s SER 45 CO 0.11 -2.26 1.63 0.00 0.98 0.00 0.00 173.24 173.71 1hqq h ALA 46 N -1.30 1.08 0.01 5.32 0.00 -1.07 -2.37 119.26 120.92 1hqq h ALA 46 Ca -0.48 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1hqq h ALA 46 Cb 1.33 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1hqq h ALA 46 CO 0.64 -0.46 -0.00 0.28 0.00 0.00 0.00 179.25 179.70 1hqq h VAL 47 N 0.15 0.00 0.00 0.00 2.07 -1.92 -3.48 116.25 113.07 1hqq h VAL 47 Ca 0.50 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 1hqq h VAL 47 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1hqq h VAL 47 CO -0.69 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.51 1hqq n GLY 48 N -0.04 1.70 3.68 2.17 0.00 -0.89 -5.11 105.19 106.70 1hqq n GLY 48 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1hqq n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqq s ASN 49 N -2.00 3.18 0.20 1.61 2.20 -1.26 -4.83 114.94 114.04 1hqq s ASN 49 Ca 0.00 2.00 -0.11 0.00 -0.94 0.00 0.00 52.86 53.81 1hqq s ASN 49 Cb 0.00 -2.51 0.26 0.00 -2.00 0.00 0.00 41.25 37.00 1hqq s ASN 49 CO 0.00 -2.91 1.70 0.00 -2.94 0.00 0.00 177.10 172.95 1hqq h ALA 50 N -1.74 0.65 0.00 3.54 0.00 -1.99 -1.52 119.26 118.20 1hqq h ALA 50 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1hqq h ALA 50 Cb 1.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1hqq h ALA 50 CO 0.45 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.78 1hqq n GLU 51 N -5.14 0.01 -0.16 0.00 1.02 -1.26 -2.36 120.64 112.75 1hqq n GLU 51 Ca 0.08 0.30 0.06 0.00 -0.02 0.00 0.00 57.16 57.58 1hqq n GLU 51 Cb 0.30 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.37 1hqq n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1hqq n SER 52 N -1.49 2.85 -4.75 1.62 3.41 -0.58 -4.75 113.62 109.92 1hqq n SER 52 Ca 0.03 -1.91 -0.36 0.00 -0.26 0.00 0.00 58.87 56.36 1hqq n SER 52 Cb 0.13 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 1hqq n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hqq s ARG 53 N -1.00 4.12 0.05 4.33 0.52 -1.00 -3.71 118.95 122.26 1hqq s ARG 53 Ca 0.24 -0.00 0.05 0.00 -0.52 0.00 0.00 55.73 55.49 1hqq s ARG 53 Cb 0.13 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 1hqq s ARG 53 CO 0.17 0.35 -0.14 0.71 0.02 0.00 0.00 175.30 176.40 1hqq s TYR 54 N 0.17 1.24 0.29 -0.53 1.51 -0.15 -4.81 117.35 115.07 1hqq s TYR 54 Ca 0.14 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.53 1hqq s TYR 54 Cb -0.12 -0.72 -0.09 0.00 -0.11 0.00 0.00 41.96 40.91 1hqq s TYR 54 CO 0.03 0.05 1.00 0.08 -1.11 0.00 0.00 175.55 175.60 1hqq s VAL 55 N -1.02 3.89 0.04 0.71 1.01 -1.26 -0.67 120.40 123.09 1hqq s VAL 55 Ca 0.00 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1hqq s VAL 55 Cb -0.09 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1hqq s VAL 55 CO 0.02 0.30 -0.12 -1.48 0.00 0.00 0.00 175.10 173.82 1hqq s LEU 56 N -1.68 2.19 -0.01 3.92 0.05 -0.80 -4.32 118.68 118.03 1hqq s LEU 56 Ca 0.47 -0.47 -0.05 0.00 0.05 0.00 0.00 54.13 54.12 1hqq s LEU 56 Cb -0.25 -0.49 0.00 0.00 -2.05 0.00 0.00 46.19 43.40 1hqq s LEU 56 CO 0.32 -0.03 0.10 0.28 -0.55 0.00 0.00 176.35 176.47 1hqq s THR 57 N -0.96 0.06 0.00 5.48 -1.32 -1.03 -2.40 115.64 115.47 1hqq s THR 57 Ca -0.01 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1hqq s THR 57 Cb -0.08 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1hqq s THR 57 CO 0.01 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1hqq n GLY 58 N 1.95 1.68 3.10 6.08 0.00 0.08 -0.88 105.19 117.20 1hqq n GLY 58 Ca -0.20 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1hqq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqq s ARG 59 N -1.04 0.57 0.09 1.61 1.81 -0.51 -1.07 118.95 120.41 1hqq s ARG 59 Ca 0.00 -0.87 -0.10 0.00 -1.72 0.00 0.00 55.73 53.05 1hqq s ARG 59 Cb 0.00 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 1hqq s ARG 59 CO 0.00 -0.13 0.21 1.52 -0.68 0.00 0.00 175.30 176.22 1hqq s TYR 60 N -2.87 0.11 -0.49 -0.53 1.13 -0.32 -1.64 117.35 112.73 1hqq s TYR 60 Ca -0.03 -0.51 -0.28 0.00 -1.41 0.00 0.00 57.07 54.84 1hqq s TYR 60 Cb 0.00 -0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1hqq s TYR 60 CO -0.06 -0.55 1.36 0.34 -2.51 0.00 0.00 175.55 174.13 1hqq s ASP 61 N -2.79 6.30 0.00 -0.18 2.15 -0.52 -4.59 116.67 117.04 1hqq s ASP 61 Ca 0.04 0.52 0.29 0.00 0.43 0.00 0.00 52.55 53.83 1hqq s ASP 61 Cb 0.04 -2.54 1.57 0.00 -0.30 0.00 0.00 42.92 41.69 1hqq s ASP 61 CO -0.11 -1.52 2.04 -1.54 -0.17 0.00 0.00 175.17 173.87 1hqq n SER 62 N 8.96 0.00 -3.19 -0.34 3.41 -1.26 -3.99 113.62 117.20 1hqq n SER 62 Ca 0.14 -0.42 -0.22 0.00 -0.26 0.00 0.00 58.87 58.11 1hqq n SER 62 Cb 0.49 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1hqq n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hqq n ALA 63 N -1.18 2.35 -0.95 7.33 0.00 -1.26 -5.05 120.51 121.75 1hqq n ALA 63 Ca 0.17 -3.44 -0.31 0.00 0.00 0.00 0.00 53.44 49.86 1hqq n ALA 63 Cb 0.18 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 18.93 1hqq n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hqq s PRO 64 N -1.61 1.32 0.82 0.00 0.04 -1.26 -5.00 135.00 129.32 1hqq s PRO 64 Ca 0.37 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1hqq s PRO 64 Cb 0.23 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 33.07 1hqq s PRO 64 CO -0.10 -2.32 1.13 0.00 0.04 0.00 0.00 177.00 175.75 1hqq s ALA 65 N -2.76 1.92 -0.28 8.56 0.00 -1.26 -4.95 121.76 122.98 1hqq s ALA 65 Ca 0.64 0.51 0.10 0.00 0.00 0.00 0.00 51.96 53.21 1hqq s ALA 65 Cb -0.20 -3.38 0.53 0.00 0.00 0.00 0.00 23.12 20.06 1hqq s ALA 65 CO 0.58 -2.17 1.49 0.25 0.00 0.00 0.00 175.76 175.90 1hqq n THR 66 N -3.65 2.54 -0.31 0.00 -2.24 -1.26 -4.52 114.28 104.85 1hqq n THR 66 Ca 0.11 -2.48 0.11 0.00 -2.27 0.00 0.00 64.05 59.52 1hqq n THR 66 Cb 0.52 -0.32 0.32 0.00 -2.10 0.00 0.00 70.33 68.75 1hqq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hqq n ASP 67 N -0.98 3.96 0.00 3.42 5.68 -1.26 -4.89 116.55 122.47 1hqq n ASP 67 Ca 0.33 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1hqq n ASP 67 Cb 1.05 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1hqq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hqq n GLY 68 N 1.54 0.78 3.85 6.12 0.00 -1.26 -5.08 105.19 111.14 1hqq n GLY 68 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1hqq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqq s SER 69 N -2.39 6.06 1.01 1.61 0.01 -1.26 -5.06 113.70 113.68 1hqq s SER 69 Ca 0.00 1.54 -0.16 0.00 1.31 0.00 0.00 55.95 58.64 1hqq s SER 69 Cb 0.00 -2.49 0.21 0.00 0.21 0.00 0.00 66.02 63.95 1hqq s SER 69 CO 0.00 -0.98 1.23 -0.83 0.41 0.00 0.00 173.24 173.07 1hqq s GLY 70 N -3.72 1.69 -0.33 3.44 0.00 -1.26 -4.82 107.32 102.31 1hqq s GLY 70 Ca 0.57 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 44.20 1hqq s GLY 70 CO 0.48 -0.25 0.14 -1.59 0.00 0.00 0.00 173.10 171.89 1hqq s THR 71 N -3.54 4.32 0.34 0.90 2.01 -0.45 -4.76 115.64 114.46 1hqq s THR 71 Ca 0.71 -0.72 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 1hqq s THR 71 Cb -0.07 -3.31 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 1hqq s THR 71 CO 0.54 -0.06 1.30 0.00 -0.69 0.00 0.00 174.62 175.71 1hqq s ALA 72 N 1.54 3.47 0.30 7.40 0.00 -1.26 -1.04 121.76 132.17 1hqq s ALA 72 Ca 0.02 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1hqq s ALA 72 Cb -0.18 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1hqq s ALA 72 CO 0.05 -0.64 0.72 -0.48 0.00 0.00 0.00 175.76 175.41 1hqq s LEU 73 N -1.85 -0.18 -0.10 0.00 0.05 -0.47 -1.43 118.68 114.70 1hqq s LEU 73 Ca 0.50 -0.73 -0.30 0.00 0.05 0.00 0.00 54.13 53.64 1hqq s LEU 73 Cb -0.39 2.71 0.12 0.00 -2.05 0.00 0.00 46.19 46.58 1hqq s LEU 73 CO 0.52 -1.41 0.96 -0.83 -0.55 0.00 0.00 176.35 175.04 1hqq s GLY 74 N -2.95 -0.36 0.18 -3.48 0.00 -0.65 -1.75 107.32 98.30 1hqq s GLY 74 Ca 0.12 1.57 -0.15 0.00 0.00 0.00 0.00 44.72 46.26 1hqq s GLY 74 CO 0.08 0.71 0.45 0.66 0.00 0.00 0.00 173.10 175.01 1hqq s TRP 75 N -2.02 -0.01 0.06 1.90 -2.14 -0.69 -1.43 118.94 114.62 1hqq s TRP 75 Ca 0.02 -0.33 0.06 0.00 2.66 0.00 0.00 56.10 58.50 1hqq s TRP 75 Cb -0.01 0.28 -0.03 0.00 -3.10 0.00 0.00 33.47 30.61 1hqq s TRP 75 CO -0.03 -0.85 -0.16 0.99 -2.66 0.00 0.00 176.95 174.25 1hqq s THR 76 N -3.89 1.25 -0.06 0.66 2.01 -0.05 -1.20 115.64 114.36 1hqq s THR 76 Ca 0.10 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 1hqq s THR 76 Cb 0.00 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1hqq s THR 76 CO -0.03 -0.09 0.01 -0.69 -0.69 0.00 0.00 174.62 173.13 1hqq s VAL 77 N -1.07 0.25 -0.18 3.82 1.01 -0.40 -2.47 120.40 121.35 1hqq s VAL 77 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1hqq s VAL 77 Cb -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1hqq s VAL 77 CO 0.02 0.23 0.40 0.00 0.00 0.00 0.00 175.10 175.75 1hqq s ALA 78 N 1.86 3.55 -0.84 5.51 0.00 -1.26 -1.07 121.76 129.50 1hqq s ALA 78 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 1hqq s ALA 78 Cb -0.12 -2.61 -0.13 0.00 0.00 0.00 0.00 23.12 20.26 1hqq s ALA 78 CO -0.04 -0.19 2.83 0.91 0.00 0.00 0.00 175.76 179.26 1hqq n TRP 79 N 4.21 1.25 -3.91 0.00 7.02 -0.16 -4.77 117.44 121.08 1hqq n TRP 79 Ca -0.08 -2.13 -0.15 0.00 -1.02 0.00 0.00 57.50 54.12 1hqq n TRP 79 Cb 0.51 -1.89 -0.15 0.00 -2.42 0.00 0.00 31.31 27.36 1hqq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1hqq s LYS 80 N 2.13 0.15 0.00 -0.99 2.20 -1.26 -0.83 119.74 121.14 1hqq s LYS 80 Ca 0.58 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1hqq s LYS 80 Cb 0.20 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1hqq s LYS 80 CO -0.03 -0.06 0.00 0.27 -0.36 0.00 0.00 175.35 175.17 1hqq n ASN 81 N 3.61 0.16 0.00 1.43 0.23 -0.45 -4.76 115.26 115.48 1hqq n ASN 81 Ca -0.20 -0.76 0.07 0.00 -0.53 0.00 0.00 54.58 53.16 1hqq n ASN 81 Cb 0.55 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.68 1hqq n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1hqq n ASN 82 N -2.15 0.00 0.00 0.53 3.02 -1.26 -3.80 115.26 111.60 1hqq n ASN 82 Ca 0.00 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1hqq n ASN 82 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1hqq n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hqq n TYR 83 N -0.82 0.00 -4.15 3.10 4.01 -1.26 -5.11 117.16 112.93 1hqq n TYR 83 Ca 0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.75 1hqq n TYR 83 Cb 0.05 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 1hqq n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1hqq s ARG 84 N -1.73 0.78 -0.20 -0.72 0.52 -1.25 -5.14 118.95 111.20 1hqq s ARG 84 Ca 0.00 -1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 53.86 1hqq s ARG 84 Cb 0.00 -0.04 0.10 0.00 0.52 0.00 0.00 34.95 35.53 1hqq s ARG 84 CO 0.00 -0.07 0.33 1.21 0.02 0.00 0.00 175.30 176.79 1hqq s ASN 85 N -3.01 0.38 0.00 0.23 3.84 -1.26 -1.34 114.94 113.78 1hqq s ASN 85 Ca 0.11 0.39 0.20 0.00 0.21 0.00 0.00 52.86 53.77 1hqq s ASN 85 Cb 0.06 0.92 0.56 0.00 -0.55 0.00 0.00 41.25 42.24 1hqq s ASN 85 CO -0.06 -0.28 1.46 0.00 -2.79 0.00 0.00 177.10 175.44 1hqq n ALA 86 N 5.36 2.40 -4.09 1.71 0.00 -0.01 -4.96 120.51 120.91 1hqq n ALA 86 Ca -0.06 -1.10 -0.36 0.00 0.00 0.00 0.00 53.44 51.93 1hqq n ALA 86 Cb 0.50 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1hqq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hqq n HIS 87 N 1.34 -1.45 -3.75 0.00 8.25 -1.26 -4.87 115.22 113.49 1hqq n HIS 87 Ca 0.21 0.41 -0.08 0.00 -0.26 0.00 0.00 57.72 58.00 1hqq n HIS 87 Cb 0.53 -3.03 -0.02 0.00 1.12 0.00 0.00 29.99 28.59 1hqq n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hqq s SER 88 N -3.96 -0.33 -0.08 0.41 1.04 -1.26 -1.38 113.70 108.14 1hqq s SER 88 Ca 0.24 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 1hqq s SER 88 Cb -0.12 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1hqq s SER 88 CO 0.96 -1.24 0.31 0.00 0.98 0.00 0.00 173.24 174.25 1hqq s ALA 89 N -3.85 -0.77 -0.01 5.32 0.00 -0.42 -0.99 121.76 121.04 1hqq s ALA 89 Ca 0.09 0.69 0.08 0.00 0.00 0.00 0.00 51.96 52.81 1hqq s ALA 89 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1hqq s ALA 89 CO 0.02 -0.19 -0.26 0.99 0.00 0.00 0.00 175.76 176.33 1hqq s THR 90 N -0.34 2.03 -0.04 0.00 2.01 -0.23 -1.07 115.64 118.00 1hqq s THR 90 Ca -0.05 -1.14 0.06 0.00 0.31 0.00 0.00 61.69 60.87 1hqq s THR 90 Cb -0.03 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1hqq s THR 90 CO 0.02 0.53 -0.21 0.42 -0.69 0.00 0.00 174.62 174.68 1hqq s THR 91 N -0.64 1.74 -0.11 -0.82 -4.23 -0.53 -1.28 115.64 109.78 1hqq s THR 91 Ca 0.10 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1hqq s THR 91 Cb -0.10 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.25 1hqq s THR 91 CO -0.00 0.49 -0.14 0.26 -0.54 0.00 0.00 174.62 174.69 1hqq s TRP 92 N -0.21 2.78 -0.08 3.99 0.51 -0.34 -1.33 118.94 124.26 1hqq s TRP 92 Ca 0.00 -0.53 0.03 0.00 -2.12 0.00 0.00 56.10 53.48 1hqq s TRP 92 Cb -0.11 -1.78 0.01 0.00 -0.81 0.00 0.00 33.47 30.77 1hqq s TRP 92 CO 0.02 -0.11 -0.15 0.45 -0.51 0.00 0.00 176.95 176.64 1hqq s SER 93 N 0.07 2.13 0.00 2.95 0.15 -0.26 -1.70 113.70 117.04 1hqq s SER 93 Ca -0.05 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1hqq s SER 93 Cb -0.15 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1hqq s SER 93 CO 0.04 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1hqq n GLY 94 N 3.78 1.20 3.14 9.45 0.00 -0.72 -1.49 105.19 120.54 1hqq n GLY 94 Ca -0.22 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1hqq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hqq s GLN 95 N 1.64 0.47 -0.08 1.61 -2.07 -0.69 -1.37 119.66 119.19 1hqq s GLN 95 Ca 0.00 -0.18 -0.18 0.00 -1.82 0.00 0.00 55.36 53.17 1hqq s GLN 95 Cb 0.00 0.21 -0.05 0.00 -1.09 0.00 0.00 33.01 32.08 1hqq s GLN 95 CO 0.00 -0.11 0.50 -0.47 -1.32 0.00 0.00 175.29 173.89 1hqq s TYR 96 N -1.02 3.58 -0.20 9.60 5.04 -0.21 -1.70 117.35 132.45 1hqq s TYR 96 Ca -0.11 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1hqq s TYR 96 Cb -0.06 -2.54 0.03 0.00 0.35 0.00 0.00 41.96 39.75 1hqq s TYR 96 CO 0.02 0.27 -0.18 0.08 -1.34 0.00 0.00 175.55 174.40 1hqq s VAL 97 N 0.22 2.06 0.83 3.14 1.01 0.32 -1.34 120.40 126.63 1hqq s VAL 97 Ca 0.27 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1hqq s VAL 97 Cb -0.16 -1.94 0.11 0.00 0.00 0.00 0.00 36.38 34.39 1hqq s VAL 97 CO 0.12 0.40 1.18 -0.83 0.00 0.00 0.00 175.10 175.98 1hqq s GLY 98 N 1.26 1.67 0.00 4.51 0.00 -1.26 -1.42 107.32 112.08 1hqq s GLY 98 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1hqq s GLY 98 CO -0.11 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.24 1hqq n GLY 99 N -3.34 0.91 0.30 0.20 0.00 -1.26 -4.64 105.19 97.36 1hqq n GLY 99 Ca 0.10 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 44.09 1hqq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqq h ALA 100 N 0.00 1.59 -2.17 4.61 0.00 -2.07 -2.85 119.26 118.37 1hqq h ALA 100 Ca 0.00 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.22 1hqq h ALA 100 Cb 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.21 1hqq h ALA 100 CO 0.00 0.34 -0.45 -1.91 0.00 0.00 0.00 179.25 177.22 1hqq n GLU 101 N -4.42 3.34 -1.64 0.00 0.00 -1.26 -5.07 120.64 111.59 1hqq n GLU 101 Ca 0.03 -4.81 -0.35 0.00 0.00 0.00 0.00 57.16 52.03 1hqq n GLU 101 Cb 0.10 -2.27 0.07 0.00 0.00 0.00 0.00 31.44 29.35 1hqq n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hqq s ALA 102 N -3.37 2.28 0.15 4.31 0.00 -1.08 -4.97 121.76 119.07 1hqq s ALA 102 Ca 0.46 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 1hqq s ALA 102 Cb 0.24 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.95 1hqq s ALA 102 CO -0.11 -1.65 0.78 -0.98 0.00 0.00 0.00 175.76 173.80 1hqq s ARG 103 N -3.67 1.27 -0.20 0.00 3.03 -0.51 -4.18 118.95 114.70 1hqq s ARG 103 Ca 0.77 -0.60 0.01 0.00 2.03 0.00 0.00 55.73 57.94 1hqq s ARG 103 Cb -0.31 0.50 0.04 0.00 -1.03 0.00 0.00 34.95 34.15 1hqq s ARG 103 CO 0.41 -0.57 -0.15 0.42 -1.13 0.00 0.00 175.30 174.28 1hqq s ILE 104 N -3.54 1.91 -0.25 4.99 1.01 -0.50 -0.52 121.20 124.29 1hqq s ILE 104 Ca 0.07 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 1hqq s ILE 104 Cb -0.02 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1hqq s ILE 104 CO -0.04 0.30 0.25 0.20 0.00 0.00 0.00 174.94 175.65 1hqq s ASN 105 N 1.30 6.17 0.24 3.58 0.02 -0.69 -0.80 114.94 124.76 1hqq s ASN 105 Ca 0.00 0.18 0.02 0.00 -1.02 0.00 0.00 52.86 52.04 1hqq s ASN 105 Cb -0.15 -2.15 -0.05 0.00 0.02 0.00 0.00 41.25 38.91 1hqq s ASN 105 CO -0.10 -0.04 0.05 0.42 0.02 0.00 0.00 177.10 177.45 1hqq s THR 106 N 1.52 0.76 0.01 1.60 -4.23 -0.13 -1.70 115.64 113.46 1hqq s THR 106 Ca 0.11 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1hqq s THR 106 Cb -0.15 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1hqq s THR 106 CO 0.08 -0.20 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.76 1hqq s GLN 107 N -3.95 0.82 0.18 3.99 -0.21 -0.56 -2.26 119.66 117.67 1hqq s GLN 107 Ca 0.32 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 55.25 1hqq s GLN 107 Cb 0.07 -0.79 -0.05 0.00 1.00 0.00 0.00 33.01 33.25 1hqq s GLN 107 CO 0.10 0.21 -0.07 1.67 -2.12 0.00 0.00 175.29 175.08 1hqq s TRP 108 N -0.48 1.43 -0.10 0.91 1.48 0.52 -1.10 118.94 121.59 1hqq s TRP 108 Ca 0.02 -0.79 0.00 0.00 -1.06 0.00 0.00 56.10 54.27 1hqq s TRP 108 Cb -0.05 -0.76 0.02 0.00 -1.16 0.00 0.00 33.47 31.52 1hqq s TRP 108 CO 0.00 0.08 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.37 1hqq s LEU 109 N -3.24 1.30 -0.30 -4.66 1.43 -0.44 -1.88 118.68 110.90 1hqq s LEU 109 Ca 0.21 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1hqq s LEU 109 Cb 0.03 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1hqq s LEU 109 CO 0.04 -0.08 0.03 -0.22 0.23 0.00 0.00 176.35 176.35 1hqq s LEU 110 N 1.45 3.85 -0.14 1.79 2.96 -0.04 -1.45 118.68 127.10 1hqq s LEU 110 Ca 0.00 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 52.82 1hqq s LEU 110 Cb -0.13 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1hqq s LEU 110 CO -0.05 -0.24 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.83 1hqq s THR 111 N 1.35 4.07 0.07 3.68 2.01 -0.23 -0.79 115.64 125.80 1hqq s THR 111 Ca -0.02 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1hqq s THR 111 Cb -0.19 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1hqq s THR 111 CO -0.00 0.51 0.11 -0.44 -0.69 0.00 0.00 174.62 174.11 1hqq s SER 112 N 0.13 5.72 0.01 3.53 0.01 -0.27 -1.30 113.70 121.52 1hqq s SER 112 Ca 0.00 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1hqq s SER 112 Cb -0.13 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.45 1hqq s SER 112 CO 0.02 0.18 1.25 -0.83 0.41 0.00 0.00 173.24 174.27 1hqq s GLY 113 N -2.37 2.16 0.25 3.44 0.00 -0.48 -4.87 107.32 105.46 1hqq s GLY 113 Ca 0.30 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.82 1hqq s GLY 113 CO 0.23 2.21 0.11 -0.51 0.00 0.00 0.00 173.10 175.14 1hqq s THR 114 N 1.75 0.46 0.80 0.90 -4.23 -1.26 -5.02 115.64 109.04 1hqq s THR 114 Ca 0.59 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1hqq s THR 114 Cb -0.29 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.02 1hqq s THR 114 CO 0.26 0.00 1.14 0.42 -0.54 0.00 0.00 174.62 175.90 1hqq s THR 115 N -3.80 2.51 0.30 3.99 -4.23 -1.26 -4.86 115.64 108.28 1hqq s THR 115 Ca 0.38 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1hqq s THR 115 Cb 0.08 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 71.11 1hqq s THR 115 CO 0.14 -0.22 1.95 -0.33 -0.54 0.00 0.00 174.62 175.62 1hqq h GLU 116 N -1.05 1.05 0.00 3.99 4.39 -2.01 -2.24 114.58 118.71 1hqq h GLU 116 Ca -0.47 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.11 1hqq h GLU 116 Cb 1.30 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1hqq h GLU 116 CO 0.64 0.69 -0.26 0.00 -1.16 0.00 0.00 179.01 178.92 1hqq h ALA 117 N 1.50 1.47 -0.60 3.43 0.00 -2.06 -2.90 119.26 120.09 1hqq h ALA 117 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hqq h ALA 117 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hqq h ALA 117 CO -0.09 0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.57 1hqq n ASN 118 N -4.08 3.61 0.19 0.00 3.02 -0.89 -4.55 115.26 112.56 1hqq n ASN 118 Ca -0.02 -2.00 0.07 0.00 -0.03 0.00 0.00 54.58 52.60 1hqq n ASN 118 Cb 0.32 -0.40 0.58 0.00 -0.61 0.00 0.00 39.78 39.67 1hqq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqq h ALA 119 N 3.59 1.91 0.00 5.41 0.00 -1.22 -2.42 119.26 126.54 1hqq h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hqq h ALA 119 Cb 0.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hqq h ALA 119 CO 0.00 0.08 -0.07 0.11 0.00 0.00 0.00 179.25 179.37 1hqq h TRP 120 N 0.15 0.00 -0.63 0.00 5.08 -1.81 -2.69 115.95 116.05 1hqq h TRP 120 Ca 0.04 0.00 -0.43 0.00 1.08 0.00 0.00 58.89 59.58 1hqq h TRP 120 Cb -0.01 0.00 -0.28 0.00 -3.00 0.00 0.00 29.16 25.87 1hqq h TRP 120 CO 0.00 0.07 -0.26 0.36 -1.28 0.00 0.00 178.44 177.33 1hqq n LYS 121 N -4.26 2.77 0.05 0.12 2.85 -0.91 -4.70 118.16 114.08 1hqq n LYS 121 Ca -0.03 -3.66 0.12 0.00 -1.05 0.00 0.00 58.31 53.70 1hqq n LYS 121 Cb 0.15 -2.10 0.22 0.00 -0.65 0.00 0.00 35.03 32.65 1hqq n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1hqq n SER 122 N -0.90 0.66 -4.08 -5.58 3.41 -1.01 -4.88 113.62 101.23 1hqq n SER 122 Ca 0.43 0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1hqq n SER 122 Cb 0.92 0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 64.77 1hqq n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hqq s THR 123 N -3.13 1.68 0.06 6.66 2.01 -1.26 -1.12 115.64 120.53 1hqq s THR 123 Ca 0.08 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 1hqq s THR 123 Cb 0.14 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1hqq s THR 123 CO 0.70 0.48 0.26 -0.76 -0.69 0.00 0.00 174.62 174.61 1hqq s LEU 124 N 1.05 4.34 0.02 4.42 1.43 0.03 -4.92 118.68 125.06 1hqq s LEU 124 Ca -0.04 0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1hqq s LEU 124 Cb -0.15 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1hqq s LEU 124 CO -0.04 0.17 -0.19 0.54 0.23 0.00 0.00 176.35 177.07 1hqq s VAL 125 N -1.47 1.51 0.00 -1.59 0.11 -1.26 -0.86 120.40 116.84 1hqq s VAL 125 Ca 0.34 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1hqq s VAL 125 Cb -0.13 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1hqq s VAL 125 CO 0.23 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1hqq n GLY 126 N 2.14 2.07 3.16 6.54 0.00 -0.79 -4.99 105.19 113.32 1hqq n GLY 126 Ca -0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1hqq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hqq s HIS 127 N -7.48 -0.30 0.04 1.61 -3.43 -1.26 -0.35 115.29 104.12 1hqq s HIS 127 Ca 0.00 0.73 0.05 0.00 -0.80 0.00 0.00 55.06 55.04 1hqq s HIS 127 Cb 0.00 0.10 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 1hqq s HIS 127 CO 0.00 -0.15 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.92 1hqq s ASP 128 N 0.10 1.83 -0.14 7.38 1.01 -0.96 -4.96 116.67 120.93 1hqq s ASP 128 Ca -0.00 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.81 1hqq s ASP 128 Cb -0.02 -0.13 0.01 0.00 1.01 0.00 0.00 42.92 43.79 1hqq s ASP 128 CO 0.00 0.06 -0.21 -0.89 0.21 0.00 0.00 175.17 174.34 1hqq s THR 129 N -0.84 2.02 -0.07 -1.27 2.01 -1.26 -0.96 115.64 115.26 1hqq s THR 129 Ca 0.03 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 1hqq s THR 129 Cb -0.08 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1hqq s THR 129 CO 0.01 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.10 1hqq s PHE 130 N 0.83 3.08 0.19 4.92 0.40 0.02 -3.99 117.98 123.43 1hqq s PHE 130 Ca -0.07 0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1hqq s PHE 130 Cb -0.15 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 1hqq s PHE 130 CO -0.02 0.43 -0.07 0.95 0.70 0.00 0.00 175.22 177.20 1hqq s THR 131 N -0.89 1.21 -0.81 0.64 -4.23 0.23 -1.41 115.64 110.38 1hqq s THR 131 Ca 0.14 -2.07 0.27 0.00 -1.18 0.00 0.00 61.69 58.84 1hqq s THR 131 Cb -0.11 -2.07 0.27 0.00 1.34 0.00 0.00 72.50 71.93 1hqq s THR 131 CO 0.03 -0.57 1.82 0.29 -0.54 0.00 0.00 174.62 175.65 1hqq n LYS 132 N -0.31 0.18 -4.82 3.99 5.02 -1.26 -1.06 118.16 119.90 1hqq n LYS 132 Ca -0.08 0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 1hqq n LYS 132 Cb 0.62 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1hqq n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqq s VAL 133 N -3.08 2.55 -2.00 -0.18 1.01 -1.26 -4.87 120.40 112.58 1hqq s VAL 133 Ca 0.11 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1hqq s VAL 133 Cb 0.14 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1hqq s VAL 133 CO 0.56 0.40 0.60 0.29 0.00 0.00 0.00 175.10 176.95