#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hq4 s VAL 2 N 0.00 4.64 -0.05 5.18 1.01 -1.26 -4.40 120.40 125.52 1hq4 s VAL 2 Ca 0.00 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 1hq4 s VAL 2 Cb 0.00 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1hq4 s VAL 2 CO 0.00 0.20 0.02 -1.10 0.00 0.00 0.00 175.10 174.22 1hq4 s GLN 3 N -2.00 0.32 0.12 2.72 -1.52 0.05 -4.97 119.66 114.38 1hq4 s GLN 3 Ca 0.42 0.19 0.07 0.00 -1.95 0.00 0.00 55.36 54.09 1hq4 s GLN 3 Cb -0.16 -0.71 -0.04 0.00 -0.22 0.00 0.00 33.01 31.88 1hq4 s GLN 3 CO 0.20 -0.27 -0.10 -0.51 -0.25 0.00 0.00 175.29 174.37 1hq4 s LEU 4 N 1.81 3.03 -0.30 2.90 1.02 -1.26 -0.41 118.68 125.48 1hq4 s LEU 4 Ca 0.01 -0.43 -0.00 0.00 0.02 0.00 0.00 54.13 53.73 1hq4 s LEU 4 Cb -0.12 -1.80 0.19 0.00 0.02 0.00 0.00 46.19 44.47 1hq4 s LEU 4 CO -0.04 0.16 0.58 -1.58 0.02 0.00 0.00 176.35 175.50 1hq4 s GLN 5 N -2.36 0.55 0.89 1.70 0.74 -1.04 -4.40 119.66 115.75 1hq4 s GLN 5 Ca 0.22 0.93 -0.11 0.00 0.05 0.00 0.00 55.36 56.45 1hq4 s GLN 5 Cb -0.11 0.46 0.12 0.00 1.10 0.00 0.00 33.01 34.59 1hq4 s GLN 5 CO 0.14 -0.66 1.09 -1.21 -0.55 0.00 0.00 175.29 174.10 1hq4 s GLU 6 N 2.83 1.31 -0.28 1.67 8.01 -1.26 -1.99 118.70 129.00 1hq4 s GLU 6 Ca 0.19 1.01 -0.23 0.00 0.01 0.00 0.00 54.97 55.94 1hq4 s GLU 6 Cb -0.15 -1.80 0.11 0.00 -4.31 0.00 0.00 34.13 27.98 1hq4 s GLU 6 CO -0.21 -2.25 0.94 0.45 0.01 0.00 0.00 175.26 174.19 1hq4 s SER 7 N -3.25 -0.55 0.00 -0.19 0.15 -0.60 -4.91 113.70 104.34 1hq4 s SER 7 Ca 0.64 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1hq4 s SER 7 Cb -0.19 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1hq4 s SER 7 CO 0.57 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1hq4 n GLY 8 N 2.62 1.34 0.07 9.45 0.00 -1.26 -0.84 105.19 116.57 1hq4 n GLY 8 Ca -0.14 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1hq4 n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hq4 h PRO 9 N 0.00 -0.06 0.00 1.61 0.13 -1.94 -3.48 132.00 128.26 1hq4 h PRO 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hq4 h PRO 9 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1hq4 h PRO 9 CO 0.00 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 1hq4 n GLY 10 N -0.14 2.86 2.86 1.56 0.00 -1.26 -4.95 105.19 106.13 1hq4 n GLY 10 Ca -0.08 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 1hq4 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hq4 s LEU 11 N 0.00 1.23 -0.03 0.99 0.20 -1.26 -0.76 118.68 119.05 1hq4 s LEU 11 Ca 0.00 -0.08 -0.05 0.00 0.69 0.00 0.00 54.13 54.69 1hq4 s LEU 11 Cb 0.00 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.42 1hq4 s LEU 11 CO 0.00 -0.08 0.12 0.68 -0.29 0.00 0.00 176.35 176.78 1hq4 s VAL 12 N 0.99 0.02 0.38 1.68 -7.23 -0.61 -4.97 120.40 110.66 1hq4 s VAL 12 Ca -0.10 -0.18 -0.23 0.00 -1.81 0.00 0.00 61.98 59.66 1hq4 s VAL 12 Cb -0.14 -0.23 -0.10 0.00 0.56 0.00 0.00 36.38 36.46 1hq4 s VAL 12 CO -0.01 -0.10 0.94 -0.54 -0.31 0.00 0.00 175.10 175.08 1hq4 s LYS 13 N -0.28 4.38 0.75 4.82 1.02 -1.26 -2.31 119.74 126.86 1hq4 s LYS 13 Ca -0.04 1.20 -0.16 0.00 0.02 0.00 0.00 55.97 56.99 1hq4 s LYS 13 Cb -0.03 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 1hq4 s LYS 13 CO 0.00 0.12 0.37 -2.30 -0.92 0.00 0.00 175.35 172.62 1hq4 n PRO 14 N -0.09 0.18 0.00 -1.68 -0.02 -1.26 -1.84 135.00 130.30 1hq4 n PRO 14 Ca 0.05 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1hq4 n PRO 14 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1hq4 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hq4 n SER 15 N 0.07 0.00 -2.33 2.55 3.41 0.11 -4.90 113.62 112.53 1hq4 n SER 15 Ca 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.65 1hq4 n SER 15 Cb 0.51 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 63.86 1hq4 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hq4 n GLN 16 N -1.78 -0.24 -4.67 4.33 6.02 -0.77 -3.71 117.38 116.56 1hq4 n GLN 16 Ca 0.00 -0.35 -0.31 0.00 -0.01 0.00 0.00 57.00 56.33 1hq4 n GLN 16 Cb 0.00 -0.24 -0.12 0.00 1.02 0.00 0.00 30.24 30.90 1hq4 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1hq4 s SER 17 N -1.84 3.96 -0.15 1.08 0.01 -1.26 -0.98 113.70 114.52 1hq4 s SER 17 Ca 0.13 -0.34 -0.04 0.00 1.31 0.00 0.00 55.95 57.01 1hq4 s SER 17 Cb -0.00 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1hq4 s SER 17 CO 0.09 0.27 -0.01 -0.22 0.41 0.00 0.00 173.24 173.78 1hq4 s LEU 18 N -1.32 3.40 -0.26 2.44 0.20 0.40 -4.98 118.68 118.57 1hq4 s LEU 18 Ca 0.15 -0.05 -0.01 0.00 0.69 0.00 0.00 54.13 54.91 1hq4 s LEU 18 Cb -0.11 -1.82 0.08 0.00 -0.43 0.00 0.00 46.19 43.91 1hq4 s LEU 18 CO 0.05 0.20 0.05 -0.44 -0.29 0.00 0.00 176.35 175.92 1hq4 s SER 19 N 0.17 3.73 -0.01 3.68 0.01 -1.26 -0.71 113.70 119.31 1hq4 s SER 19 Ca -0.00 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1hq4 s SER 19 Cb -0.13 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 1hq4 s SER 19 CO 0.02 -0.35 0.04 -0.76 0.41 0.00 0.00 173.24 172.60 1hq4 s LEU 20 N 1.59 3.70 -0.14 2.44 1.43 -0.33 -4.51 118.68 122.86 1hq4 s LEU 20 Ca 0.04 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1hq4 s LEU 20 Cb -0.18 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.95 1hq4 s LEU 20 CO -0.16 0.29 -0.19 -0.89 0.23 0.00 0.00 176.35 175.63 1hq4 s THR 21 N -1.11 1.89 -0.30 5.49 2.01 -0.02 -1.25 115.64 122.34 1hq4 s THR 21 Ca 0.20 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 1hq4 s THR 21 Cb -0.12 -1.70 -0.00 0.00 0.01 0.00 0.00 72.50 70.70 1hq4 s THR 21 CO 0.11 0.52 0.12 0.00 -0.69 0.00 0.00 174.62 174.67 1hq4 s THR 23 N 1.57 5.26 -0.05 0.00 2.01 -0.84 -2.49 115.64 121.09 1hq4 s THR 23 Ca 0.04 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 1hq4 s THR 23 Cb -0.17 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1hq4 s THR 23 CO 0.05 -0.03 0.29 -0.69 -0.69 0.00 0.00 174.62 173.55 1hq4 s VAL 24 N 1.80 5.23 0.01 3.82 1.01 -1.16 -2.48 120.40 128.62 1hq4 s VAL 24 Ca 0.08 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1hq4 s VAL 24 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1hq4 s VAL 24 CO 0.11 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.88 1hq4 s THR 25 N -1.02 0.23 0.00 3.92 2.01 0.45 -4.81 115.64 116.42 1hq4 s THR 25 Ca 0.20 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1hq4 s THR 25 Cb -0.15 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1hq4 s THR 25 CO 0.09 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1hq4 n GLY 26 N 2.70 0.57 3.65 4.40 0.00 -1.26 -0.77 105.19 114.47 1hq4 n GLY 26 Ca -0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 1hq4 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hq4 s TYR 27 N -2.00 -0.00 -0.00 1.61 6.14 -1.26 -4.57 117.35 117.26 1hq4 s TYR 27 Ca 0.00 0.01 -0.12 0.00 0.64 0.00 0.00 57.07 57.60 1hq4 s TYR 27 Cb 0.00 0.50 -0.05 0.00 0.42 0.00 0.00 41.96 42.83 1hq4 s TYR 27 CO 0.00 -0.00 0.35 -1.12 0.64 0.00 0.00 175.55 175.42 1hq4 s SER 28 N -0.85 6.68 0.55 4.32 0.01 -1.26 -4.95 113.70 118.21 1hq4 s SER 28 Ca 0.10 0.82 0.37 0.00 1.31 0.00 0.00 55.95 58.54 1hq4 s SER 28 Cb -0.02 -2.19 1.89 0.00 0.21 0.00 0.00 66.02 65.91 1hq4 s SER 28 CO -0.10 0.30 2.12 0.40 0.41 0.00 0.00 173.24 176.37 1hq4 h ILE 29 N 3.53 0.00 0.00 1.44 1.08 -1.91 -2.79 117.51 118.85 1hq4 h ILE 29 Ca -0.52 -0.11 -0.28 0.00 -0.39 0.00 0.00 64.86 63.57 1hq4 h ILE 29 Cb 1.21 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.90 1hq4 h ILE 29 CO 0.62 0.00 -1.93 0.35 -0.69 0.00 0.00 178.15 176.50 1hq4 n THR 30 N -2.86 1.33 -0.35 -0.27 -2.24 -1.26 -4.05 114.28 104.58 1hq4 n THR 30 Ca -0.02 -0.78 0.01 0.00 -2.27 0.00 0.00 64.05 61.00 1hq4 n THR 30 Cb 0.12 -0.68 0.15 0.00 -2.10 0.00 0.00 70.33 67.81 1hq4 n THR 30 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1hq4 h SER 31 N 0.00 0.99 0.00 3.42 0.02 -1.80 -3.43 113.55 112.75 1hq4 h SER 31 Ca -0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1hq4 h SER 31 Cb 1.95 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1hq4 h SER 31 CO 0.05 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 1hq4 n GLY 32 N -1.35 -1.29 0.43 -3.77 0.00 -1.26 -5.05 105.19 92.90 1hq4 n GLY 32 Ca 0.14 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.29 1hq4 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hq4 n TYR 33 N 0.93 -1.11 -4.94 1.61 4.01 -1.26 -4.49 117.16 111.92 1hq4 n TYR 33 Ca 0.00 0.57 -0.33 0.00 -0.16 0.00 0.00 57.90 57.98 1hq4 n TYR 33 Cb 0.00 -1.01 -0.15 0.00 -0.31 0.00 0.00 39.34 37.87 1hq4 n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hq4 s ALA 34 N -1.96 2.48 -0.41 -0.72 0.00 -1.26 -2.22 121.76 117.67 1hq4 s ALA 34 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1hq4 s ALA 34 Cb 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.13 1hq4 s ALA 34 CO 0.00 0.31 0.26 -1.58 0.00 0.00 0.00 175.76 174.75 1hq4 s TRP 35 N 0.18 3.28 0.26 0.00 0.52 0.45 -4.46 118.94 119.16 1hq4 s TRP 35 Ca -0.10 -1.15 -0.03 0.00 0.02 0.00 0.00 56.10 54.84 1hq4 s TRP 35 Cb -0.16 -2.73 -0.05 0.00 -1.15 0.00 0.00 33.47 29.38 1hq4 s TRP 35 CO 0.06 -0.74 0.48 -0.80 0.02 0.00 0.00 176.95 175.97 1hq4 s ASN 35 N 1.91 6.41 -0.19 2.95 0.01 -0.31 -1.11 114.94 124.61 1hq4 s ASN 35 Ca 0.03 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.74 1hq4 s ASN 35 Cb -0.21 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.39 1hq4 s ASN 35 CO 0.05 -0.14 -0.18 0.26 -1.51 0.00 0.00 177.10 175.58 1hq4 s TRP 36 N -2.01 2.82 -0.01 2.20 0.52 0.21 -1.26 118.94 121.41 1hq4 s TRP 36 Ca 0.41 -1.64 0.07 0.00 0.02 0.00 0.00 56.10 54.96 1hq4 s TRP 36 Cb -0.11 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 1hq4 s TRP 36 CO 0.30 -0.80 -0.22 0.42 0.02 0.00 0.00 176.95 176.67 1hq4 s ILE 37 N 1.29 1.73 -0.01 2.03 1.01 0.21 -1.28 121.20 126.17 1hq4 s ILE 37 Ca 0.04 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1hq4 s ILE 37 Cb -0.13 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1hq4 s ILE 37 CO -0.12 0.45 -0.16 0.00 0.00 0.00 0.00 174.94 175.11 1hq4 s ARG 38 N -0.60 1.33 -0.27 2.79 1.70 -0.50 0.10 118.95 123.51 1hq4 s ARG 38 Ca 0.08 -0.57 -0.04 0.00 -0.47 0.00 0.00 55.73 54.73 1hq4 s ARG 38 Cb -0.08 -1.28 0.02 0.00 -0.57 0.00 0.00 34.95 33.04 1hq4 s ARG 38 CO -0.00 0.34 0.00 -1.14 -1.08 0.00 0.00 175.30 173.42 1hq4 s GLN 39 N -0.34 2.95 0.67 3.89 0.74 0.50 -0.92 119.66 127.15 1hq4 s GLN 39 Ca 0.05 -0.92 -0.13 0.00 0.05 0.00 0.00 55.36 54.41 1hq4 s GLN 39 Cb -0.07 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1hq4 s GLN 39 CO -0.00 -0.42 1.08 -0.06 -0.55 0.00 0.00 175.29 175.33 1hq4 s PHE 40 N 1.40 2.83 0.02 1.67 2.99 -0.29 -1.31 117.98 125.30 1hq4 s PHE 40 Ca 0.01 1.51 -0.30 0.00 0.00 0.00 0.00 56.93 58.15 1hq4 s PHE 40 Cb -0.17 -3.03 -0.06 0.00 0.00 0.00 0.00 43.02 39.75 1hq4 s PHE 40 CO -0.01 -1.44 1.49 -1.25 -0.00 0.00 0.00 175.22 174.00 1hq4 s PRO 41 N -4.46 4.25 0.00 0.24 0.04 -1.26 -0.50 135.00 133.31 1hq4 s PRO 41 Ca 0.63 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1hq4 s PRO 41 Cb -0.17 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1hq4 s PRO 41 CO 0.46 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1hq4 n GLY 42 N 3.76 1.17 3.12 0.56 0.00 -1.26 -4.76 105.19 107.80 1hq4 n GLY 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1hq4 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hq4 n ASN 43 N 0.00 0.00 -4.70 1.61 3.02 0.35 -5.00 115.26 110.54 1hq4 n ASN 43 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1hq4 n ASN 43 Cb 0.00 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 1hq4 n ASN 43 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1hq4 n LYS 44 N -2.00 2.57 -3.82 3.52 0.00 -1.25 -4.69 118.16 112.50 1hq4 n LYS 44 Ca 0.00 0.93 -0.36 0.00 0.00 0.00 0.00 58.31 58.88 1hq4 n LYS 44 Cb 0.00 -2.76 -0.07 0.00 0.00 0.00 0.00 35.03 32.21 1hq4 n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1hq4 s LEU 45 N 1.28 4.34 -0.07 3.14 1.43 -1.26 -1.13 118.68 126.41 1hq4 s LEU 45 Ca 0.77 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1hq4 s LEU 45 Cb -0.56 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1hq4 s LEU 45 CO 0.35 0.34 -0.08 -0.70 0.23 0.00 0.00 176.35 176.48 1hq4 s GLU 46 N -0.61 1.30 -0.26 1.70 2.12 -0.10 -5.02 118.70 117.83 1hq4 s GLU 46 Ca 0.13 -0.25 -0.24 0.00 0.36 0.00 0.00 54.97 54.98 1hq4 s GLU 46 Cb -0.12 -1.20 -0.01 0.00 0.26 0.00 0.00 34.13 33.06 1hq4 s GLU 46 CO 0.02 -0.08 0.79 -0.46 -0.54 0.00 0.00 175.26 175.00 1hq4 s TRP 47 N 0.99 3.28 -0.19 5.30 -0.00 -1.26 -1.40 118.94 125.65 1hq4 s TRP 47 Ca -0.09 1.01 -0.23 0.00 -0.00 0.00 0.00 56.10 56.79 1hq4 s TRP 47 Cb -0.15 -3.06 -0.21 0.00 -0.00 0.00 0.00 33.47 30.06 1hq4 s TRP 47 CO 0.00 -0.43 0.34 0.52 -0.00 0.00 0.00 176.95 177.39 1hq4 h MET 48 N 7.81 0.01 0.00 5.86 2.86 -1.57 -3.42 114.93 126.48 1hq4 h MET 48 Ca -0.24 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1hq4 h MET 48 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1hq4 h MET 48 CO 0.86 1.00 0.00 0.41 1.06 0.00 0.00 176.91 180.24 1hq4 n GLY 49 N 1.48 -1.72 3.51 8.32 0.00 -1.19 -0.06 105.19 115.53 1hq4 n GLY 49 Ca -0.27 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 1hq4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hq4 s TYR 50 N -2.41 0.14 -0.09 1.61 -0.85 -0.41 -0.62 117.35 114.73 1hq4 s TYR 50 Ca 0.00 -0.50 0.02 0.00 -0.52 0.00 0.00 57.07 56.08 1hq4 s TYR 50 Cb 0.00 0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.59 1hq4 s TYR 50 CO 0.00 -0.90 -0.16 -1.50 -1.52 0.00 0.00 175.55 171.47 1hq4 s ILE 51 N -3.94 1.45 0.69 -3.49 2.07 -0.27 -2.37 121.20 115.34 1hq4 s ILE 51 Ca 0.15 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.63 1hq4 s ILE 51 Cb -0.00 -1.30 0.00 0.00 0.13 0.00 0.00 42.46 41.30 1hq4 s ILE 51 CO 0.02 0.43 1.07 -0.13 -1.91 0.00 0.00 174.94 174.41 1hq4 s ARG 52 N 0.69 2.98 0.59 3.50 0.52 0.01 -0.41 118.95 126.83 1hq4 s ARG 52 Ca -0.13 0.64 0.36 0.00 -0.52 0.00 0.00 55.73 56.07 1hq4 s ARG 52 Cb -0.16 -2.02 1.83 0.00 0.52 0.00 0.00 34.95 35.12 1hq4 s ARG 52 CO 0.03 -0.99 2.18 0.10 0.02 0.00 0.00 175.30 176.65 1hq4 h TYR 53 N -0.62 0.00 0.00 -0.53 -0.00 -1.59 0.22 116.97 114.45 1hq4 h TYR 53 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1hq4 h TYR 53 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.96 1hq4 h TYR 53 CO 0.56 0.04 0.00 -1.13 -0.00 0.00 0.00 178.16 177.63 1hq4 n SER 54 N -3.31 0.00 0.00 0.10 3.41 -1.26 -4.49 113.62 108.07 1hq4 n SER 54 Ca -0.02 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1hq4 n SER 54 Cb 0.18 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1hq4 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 55 N 1.17 0.91 3.92 5.00 0.00 0.79 -5.07 105.19 111.90 1hq4 n GLY 55 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1hq4 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hq4 s ASP 56 N -2.68 5.53 0.24 1.61 -4.77 -1.26 -4.74 116.67 110.61 1hq4 s ASP 56 Ca 0.00 0.65 0.04 0.00 -3.30 0.00 0.00 52.55 49.93 1hq4 s ASP 56 Cb 0.00 -1.62 -0.05 0.00 -1.09 0.00 0.00 42.92 40.15 1hq4 s ASP 56 CO 0.00 -1.09 -0.01 0.42 0.70 0.00 0.00 175.17 175.20 1hq4 s THR 57 N -2.98 1.08 -0.09 2.11 -4.23 -1.26 -0.81 115.64 109.47 1hq4 s THR 57 Ca 0.54 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1hq4 s THR 57 Cb -0.11 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1hq4 s THR 57 CO 0.44 -0.31 0.20 -0.13 -0.54 0.00 0.00 174.62 174.28 1hq4 s ARG 58 N -3.85 0.16 0.06 3.99 1.81 -1.00 -5.02 118.95 115.09 1hq4 s ARG 58 Ca 0.29 0.45 0.08 0.00 -1.72 0.00 0.00 55.73 54.83 1hq4 s ARG 58 Cb 0.06 -0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.39 1hq4 s ARG 58 CO 0.09 -0.16 -0.23 0.71 -0.68 0.00 0.00 175.30 175.03 1hq4 s TYR 59 N 1.18 2.01 0.12 -0.53 4.12 -1.26 -1.29 117.35 121.70 1hq4 s TYR 59 Ca -0.09 -0.39 -0.31 0.00 0.02 0.00 0.00 57.07 56.30 1hq4 s TYR 59 Cb -0.11 -1.18 -0.09 0.00 -1.52 0.00 0.00 41.96 39.06 1hq4 s TYR 59 CO -0.07 0.13 1.63 1.21 0.02 0.00 0.00 175.55 178.47 1hq4 s ASN 60 N -1.33 6.57 0.17 2.29 3.84 0.91 -4.84 114.94 122.55 1hq4 s ASN 60 Ca 0.09 2.58 0.06 0.00 0.21 0.00 0.00 52.86 55.81 1hq4 s ASN 60 Cb -0.09 -2.58 0.35 0.00 -0.55 0.00 0.00 41.25 38.38 1hq4 s ASN 60 CO 0.02 -0.87 1.03 -2.65 -2.79 0.00 0.00 177.10 171.84 1hq4 n PRO 61 N 4.84 0.04 0.00 0.43 -0.02 -1.26 -0.68 135.00 138.36 1hq4 n PRO 61 Ca 0.15 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1hq4 n PRO 61 Cb 0.39 -1.92 0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1hq4 n PRO 61 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hq4 n SER 62 N -1.67 2.20 -0.26 2.55 3.41 -1.26 -4.16 113.62 114.42 1hq4 n SER 62 Ca -0.00 -1.60 0.03 0.00 -0.26 0.00 0.00 58.87 57.03 1hq4 n SER 62 Cb 0.28 0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 1hq4 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hq4 n LEU 63 N 0.32 2.09 -4.70 1.04 4.77 0.15 -5.02 117.00 115.65 1hq4 n LEU 63 Ca 0.11 -1.66 -0.34 0.00 -0.03 0.00 0.00 56.01 54.09 1hq4 n LEU 63 Cb 0.49 -0.07 0.13 0.00 -2.33 0.00 0.00 43.42 41.64 1hq4 n LEU 63 CO 0.24 0.50 0.78 -1.59 -1.33 0.00 0.00 177.39 175.99 1hq4 s LYS 64 N -0.81 1.65 0.00 3.23 0.00 -1.21 -1.52 119.74 121.08 1hq4 s LYS 64 Ca 0.09 1.78 0.00 0.00 0.00 0.00 0.00 55.97 57.84 1hq4 s LYS 64 Cb 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 37.83 36.11 1hq4 s LYS 64 CO 0.07 -2.21 0.00 -1.13 0.00 0.00 0.00 175.35 172.08 1hq4 n SER 65 N -3.25 0.00 -0.01 0.03 3.41 -1.26 -4.49 113.62 108.04 1hq4 n SER 65 Ca 0.14 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1hq4 n SER 65 Cb 0.50 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1hq4 n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hq4 n ARG 66 N -1.73 1.17 -3.91 4.33 1.74 -1.10 -4.97 116.66 112.19 1hq4 n ARG 66 Ca 0.00 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 1hq4 n ARG 66 Cb 0.00 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.28 1hq4 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1hq4 s ILE 67 N -2.26 5.41 -0.28 0.55 2.07 -0.58 -2.22 121.20 123.89 1hq4 s ILE 67 Ca -0.02 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 1hq4 s ILE 67 Cb 0.02 -3.59 0.17 0.00 0.13 0.00 0.00 42.46 39.19 1hq4 s ILE 67 CO 0.19 0.23 0.46 -0.55 -1.91 0.00 0.00 174.94 173.36 1hq4 s SER 68 N -2.24 -0.28 -0.20 4.50 0.15 -0.72 -4.95 113.70 109.97 1hq4 s SER 68 Ca 0.31 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.89 1hq4 s SER 68 Cb -0.13 1.43 -0.05 0.00 -1.71 0.00 0.00 66.02 65.57 1hq4 s SER 68 CO 0.24 -0.32 0.27 -0.63 1.20 0.00 0.00 173.24 174.00 1hq4 s ILE 69 N 2.64 5.30 0.34 6.45 1.01 -1.26 -2.46 121.20 133.21 1hq4 s ILE 69 Ca 0.12 0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.30 1hq4 s ILE 69 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1hq4 s ILE 69 CO -0.25 0.33 0.27 0.42 0.00 0.00 0.00 174.94 175.72 1hq4 s THR 70 N 0.91 0.05 0.31 2.92 -4.23 -1.08 -4.96 115.64 109.56 1hq4 s THR 70 Ca 0.14 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1hq4 s THR 70 Cb -0.13 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1hq4 s THR 70 CO 0.05 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.70 1hq4 s ARG 71 N -3.46 1.85 -0.32 3.99 1.70 -1.26 0.23 118.95 121.68 1hq4 s ARG 71 Ca 0.39 -1.45 -0.02 0.00 -0.47 0.00 0.00 55.73 54.18 1hq4 s ARG 71 Cb 0.02 0.51 0.12 0.00 -0.57 0.00 0.00 34.95 35.03 1hq4 s ARG 71 CO 0.27 -0.80 0.17 0.34 -1.08 0.00 0.00 175.30 174.20 1hq4 s ASP 72 N -3.10 3.19 0.58 -2.89 -1.08 -0.48 -4.98 116.67 107.92 1hq4 s ASP 72 Ca 0.23 -1.67 0.28 0.00 -0.52 0.00 0.00 52.55 50.87 1hq4 s ASP 72 Cb -0.02 -0.33 1.75 0.00 -1.46 0.00 0.00 42.92 42.87 1hq4 s ASP 72 CO 0.13 -0.38 2.22 0.71 0.52 0.00 0.00 175.17 178.37 1hq4 h THR 73 N 5.77 0.55 -0.02 1.71 1.35 -1.96 0.98 112.91 121.29 1hq4 h THR 73 Ca -0.08 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.62 1hq4 h THR 73 Cb 1.00 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1hq4 h THR 73 CO 0.35 0.00 -0.72 -1.28 -0.25 0.00 0.00 175.52 173.62 1hq4 h SER 74 N 0.00 0.16 0.32 5.36 0.87 -1.96 -3.19 113.55 115.10 1hq4 h SER 74 Ca 0.02 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 1hq4 h SER 74 Cb 0.09 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1hq4 h SER 74 CO -0.00 0.82 -1.75 0.29 -0.53 0.00 0.00 176.83 175.66 1hq4 n LYS 75 N -3.74 0.65 -2.64 2.24 4.76 -0.37 -5.02 118.16 114.02 1hq4 n LYS 75 Ca -0.02 -0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.34 1hq4 n LYS 75 Cb 0.70 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 32.28 1hq4 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1hq4 n ASN 76 N -2.51 -5.81 -3.64 4.39 4.05 0.33 -4.90 115.26 107.17 1hq4 n ASN 76 Ca -0.08 -0.20 -0.09 0.00 0.45 0.00 0.00 54.58 54.66 1hq4 n ASN 76 Cb 0.69 -3.96 -0.07 0.00 1.23 0.00 0.00 39.78 37.67 1hq4 n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1hq4 s GLN 77 N -3.34 0.49 0.46 1.20 -2.07 -1.15 -3.00 119.66 112.25 1hq4 s GLN 77 Ca 0.11 0.59 0.08 0.00 -1.82 0.00 0.00 55.36 54.32 1hq4 s GLN 77 Cb -0.01 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 32.15 1hq4 s GLN 77 CO 0.52 -0.06 0.47 -0.59 -1.32 0.00 0.00 175.29 174.31 1hq4 s PHE 78 N 0.28 2.35 0.16 9.60 -0.00 -1.04 -1.38 117.98 127.95 1hq4 s PHE 78 Ca 0.03 -0.57 0.00 0.00 -0.00 0.00 0.00 56.93 56.39 1hq4 s PHE 78 Cb -0.05 -2.16 -0.04 0.00 -0.00 0.00 0.00 43.02 40.76 1hq4 s PHE 78 CO -0.07 -0.37 0.03 -0.06 -0.00 0.00 0.00 175.22 174.75 1hq4 s PHE 79 N -2.54 1.08 -0.01 3.49 0.40 0.13 -1.66 117.98 118.87 1hq4 s PHE 79 Ca 0.49 -1.13 0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1hq4 s PHE 79 Cb -0.04 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1hq4 s PHE 79 CO 0.29 -0.36 -0.14 -1.17 0.70 0.00 0.00 175.22 174.54 1hq4 s LEU 80 N -3.13 2.01 -0.05 -0.37 2.96 -0.38 -2.63 118.68 117.09 1hq4 s LEU 80 Ca 0.25 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1hq4 s LEU 80 Cb 0.07 -0.70 0.03 0.00 0.50 0.00 0.00 46.19 46.08 1hq4 s LEU 80 CO 0.04 0.16 0.03 -1.58 -1.32 0.00 0.00 176.35 173.68 1hq4 s GLN 81 N -0.29 0.22 -0.12 1.98 0.74 -1.03 -1.19 119.66 119.96 1hq4 s GLN 81 Ca 0.05 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.71 1hq4 s GLN 81 Cb -0.06 -0.69 0.02 0.00 1.10 0.00 0.00 33.01 33.39 1hq4 s GLN 81 CO -0.00 -0.31 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.15 1hq4 s LEU 82 N 2.01 1.45 0.24 3.68 2.96 0.11 -1.75 118.68 127.39 1hq4 s LEU 82 Ca 0.04 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1hq4 s LEU 82 Cb -0.12 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1hq4 s LEU 82 CO -0.04 -0.07 0.10 0.54 -1.32 0.00 0.00 176.35 175.56 1hq4 s ASN 82 N 1.49 5.09 -1.02 3.68 6.03 -0.94 0.15 114.94 129.42 1hq4 s ASN 82 Ca 0.03 -0.41 -0.01 0.00 -1.03 0.00 0.00 52.86 51.44 1hq4 s ASN 82 Cb -0.13 -1.16 0.00 0.00 -3.03 0.00 0.00 41.25 36.93 1hq4 s ASN 82 CO -0.08 -0.01 0.86 -0.24 -2.03 0.00 0.00 177.10 175.61 1hq4 n SER 82 N -0.93 -2.66 -4.75 3.54 2.88 -0.16 -4.86 113.62 106.69 1hq4 n SER 82 Ca -0.07 -0.50 -0.41 0.00 -1.33 0.00 0.00 58.87 56.56 1hq4 n SER 82 Cb 0.58 -4.34 -0.04 0.00 -0.75 0.00 0.00 64.21 59.66 1hq4 n SER 82 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1hq4 s VAL 82 N -3.29 3.76 0.53 2.46 -7.23 -0.60 -4.65 120.40 111.38 1hq4 s VAL 82 Ca 0.09 1.66 0.04 0.00 -1.81 0.00 0.00 61.98 61.96 1hq4 s VAL 82 Cb -0.04 -4.06 0.04 0.00 0.56 0.00 0.00 36.38 32.89 1hq4 s VAL 82 CO 0.61 0.35 0.36 0.35 -0.31 0.00 0.00 175.10 176.46 1hq4 n THR 83 N 1.74 0.00 0.23 5.32 -2.24 -1.26 0.08 114.28 118.15 1hq4 n THR 83 Ca 0.00 -2.15 0.08 0.00 -2.27 0.00 0.00 64.05 59.72 1hq4 n THR 83 Cb 0.46 0.01 0.57 0.00 -2.10 0.00 0.00 70.33 69.27 1hq4 n THR 83 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1hq4 h THR 84 N 0.72 0.92 0.00 4.28 1.35 -1.98 -1.73 112.91 116.47 1hq4 h THR 84 Ca -0.35 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1hq4 h THR 84 Cb 1.24 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1hq4 h THR 84 CO 0.55 0.18 0.00 -0.33 -0.25 0.00 0.00 175.52 175.66 1hq4 h GLU 85 N 0.00 0.00 -0.23 4.72 3.07 -1.95 -1.06 114.58 119.14 1hq4 h GLU 85 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1hq4 h GLU 85 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1hq4 h GLU 85 CO 0.02 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 1hq4 n ASP 86 N -2.96 1.27 -4.71 1.42 8.00 -0.65 -4.83 116.55 114.09 1hq4 n ASP 86 Ca -0.03 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.10 1hq4 n ASP 86 Cb 0.08 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1hq4 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hq4 s THR 87 N -1.70 4.36 -0.48 -3.53 2.01 -0.40 -4.82 115.64 111.08 1hq4 s THR 87 Ca 0.18 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.87 1hq4 s THR 87 Cb 0.09 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1hq4 s THR 87 CO 0.13 0.10 0.00 0.00 -0.69 0.00 0.00 174.62 174.15 1hq4 n ALA 88 N 4.25 0.00 -2.80 7.40 0.00 -0.56 -4.50 120.51 124.30 1hq4 n ALA 88 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1hq4 n ALA 88 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1hq4 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hq4 s THR 89 N -2.36 4.88 -0.21 0.00 2.01 -0.42 -0.74 115.64 118.79 1hq4 s THR 89 Ca 0.00 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.92 1hq4 s THR 89 Cb 0.00 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 1hq4 s THR 89 CO 0.00 0.33 0.12 -0.31 -0.69 0.00 0.00 174.62 174.07 1hq4 s TYR 90 N 1.39 3.35 0.11 4.92 1.51 0.16 -0.37 117.35 128.42 1hq4 s TYR 90 Ca 0.06 0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.45 1hq4 s TYR 90 Cb -0.15 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1hq4 s TYR 90 CO 0.06 0.19 -0.22 0.71 -1.11 0.00 0.00 175.55 175.18 1hq4 s TYR 91 N 0.56 1.94 0.04 2.71 1.51 0.28 -1.56 117.35 122.83 1hq4 s TYR 91 Ca 0.07 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1hq4 s TYR 91 Cb -0.12 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1hq4 s TYR 91 CO 0.00 0.25 -0.19 0.00 -1.11 0.00 0.00 175.55 174.51 1hq4 s ALA 93 N -0.92 -1.76 0.19 0.00 0.00 -0.39 -2.31 121.76 116.57 1hq4 s ALA 93 Ca 0.14 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1hq4 s ALA 93 Cb -0.10 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1hq4 s ALA 93 CO 0.05 -0.58 0.01 0.96 0.00 0.00 0.00 175.76 176.20 1hq4 s ILE 94 N -2.54 0.72 0.00 0.00 -4.36 -0.94 -1.16 121.20 112.92 1hq4 s ILE 94 Ca -0.01 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1hq4 s ILE 94 Cb -0.01 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1hq4 s ILE 94 CO -0.04 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.34 1hq4 n GLY 95 N -0.29 3.67 3.33 6.27 0.00 -1.26 -0.38 105.19 116.53 1hq4 n GLY 95 Ca -0.06 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1hq4 n GLY 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hq4 s TYR 96 N -1.10 -0.45 0.00 1.61 5.04 -0.61 -4.92 117.35 116.93 1hq4 s TYR 96 Ca 0.00 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1hq4 s TYR 96 Cb 0.00 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.48 1hq4 s TYR 96 CO 0.00 -0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.35 1hq4 n GLY 97 N 2.55 1.01 0.72 8.97 0.00 -1.26 -3.48 105.19 113.70 1hq4 n GLY 97 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1hq4 n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hq4 n ASN 98 N 2.29 1.34 -3.64 1.61 2.04 -1.26 -4.81 115.26 112.83 1hq4 n ASN 98 Ca 0.00 -1.43 -0.07 0.00 -0.44 0.00 0.00 54.58 52.65 1hq4 n ASN 98 Cb 0.00 -0.36 -0.02 0.00 -2.53 0.00 0.00 39.78 36.88 1hq4 n ASN 98 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1hq4 s SER 99 N 0.28 -0.31 0.30 0.53 1.04 -1.23 -5.17 113.70 109.14 1hq4 s SER 99 Ca 0.00 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 1hq4 s SER 99 Cb 0.00 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1hq4 s SER 99 CO 0.00 -0.89 0.88 1.51 0.98 0.00 0.00 173.24 175.72 1hq4 s ASP 101 N -2.77 -0.02 -0.12 7.02 1.47 -1.26 -1.57 116.67 119.43 1hq4 s ASP 101 Ca 0.08 -0.92 -0.06 0.00 1.18 0.00 0.00 52.55 52.83 1hq4 s ASP 101 Cb -0.02 0.71 0.05 0.00 -0.34 0.00 0.00 42.92 43.32 1hq4 s ASP 101 CO -0.03 -1.40 0.27 -0.31 0.68 0.00 0.00 175.17 174.38 1hq4 s TYR 102 N -2.39 -0.38 0.22 2.11 2.02 0.49 -4.94 117.35 114.48 1hq4 s TYR 102 Ca 0.17 0.87 0.09 0.00 -0.37 0.00 0.00 57.07 57.84 1hq4 s TYR 102 Cb -0.04 0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.54 1hq4 s TYR 102 CO 0.09 -0.26 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.05 1hq4 s TRP 103 N 1.42 1.94 0.58 2.71 0.52 -1.26 -2.21 118.94 122.64 1hq4 s TRP 103 Ca -0.08 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 55.53 1hq4 s TRP 103 Cb -0.10 -0.88 0.02 0.00 -1.15 0.00 0.00 33.47 31.35 1hq4 s TRP 103 CO -0.09 0.48 0.86 0.20 0.02 0.00 0.00 176.95 178.42 1hq4 s GLY 104 N -3.28 1.65 0.44 0.98 0.00 -0.98 -4.56 107.32 101.58 1hq4 s GLY 104 Ca 0.24 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 44.17 1hq4 s GLY 104 CO 0.10 -0.61 2.07 0.06 0.00 0.00 0.00 173.10 174.72 1hq4 h GLN 105 N -0.12 0.37 0.00 2.90 -0.00 -1.94 -3.46 115.11 112.86 1hq4 h GLN 105 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1hq4 h GLN 105 Cb 1.27 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1hq4 h GLN 105 CO 0.59 0.24 0.00 0.41 -0.00 0.00 0.00 178.83 180.07 1hq4 n GLY 106 N -1.50 2.83 2.81 0.06 0.00 -1.26 -5.06 105.19 103.07 1hq4 n GLY 106 Ca 0.03 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 1hq4 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hq4 s THR 107 N -2.20 0.21 -0.15 2.61 -1.32 -0.60 -4.86 115.64 109.34 1hq4 s THR 107 Ca 0.00 0.09 -0.22 0.00 -1.21 0.00 0.00 61.69 60.34 1hq4 s THR 107 Cb 0.00 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.65 1hq4 s THR 107 CO 0.00 0.16 0.67 -0.22 -2.21 0.00 0.00 174.62 173.02 1hq4 s LEU 108 N 1.13 4.21 -0.14 9.08 1.98 -1.26 0.35 118.68 134.03 1hq4 s LEU 108 Ca -0.08 0.99 0.01 0.00 -2.89 0.00 0.00 54.13 52.16 1hq4 s LEU 108 Cb -0.13 -2.99 0.02 0.00 0.66 0.00 0.00 46.19 43.74 1hq4 s LEU 108 CO -0.02 -0.23 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.35 1hq4 s VAL 109 N 1.54 1.74 -0.17 1.68 1.01 0.08 -4.23 120.40 122.05 1hq4 s VAL 109 Ca 0.33 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1hq4 s VAL 109 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1hq4 s VAL 109 CO 0.13 0.49 -0.00 -0.89 0.00 0.00 0.00 175.10 174.83 1hq4 s THR 110 N 1.16 4.17 -0.71 3.92 2.01 0.06 -1.49 115.64 124.76 1hq4 s THR 110 Ca -0.01 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 1hq4 s THR 110 Cb -0.14 -2.86 0.19 0.00 0.01 0.00 0.00 72.50 69.70 1hq4 s THR 110 CO -0.07 0.47 0.59 -0.69 -0.69 0.00 0.00 174.62 174.24 1hq4 s VAL 111 N 0.47 4.67 0.01 3.82 1.01 -1.26 -1.57 120.40 127.54 1hq4 s VAL 111 Ca -0.01 -2.64 -0.07 0.00 0.00 0.00 0.00 61.98 59.26 1hq4 s VAL 111 Cb -0.14 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1hq4 s VAL 111 CO 0.02 -0.94 0.13 -0.55 0.00 0.00 0.00 175.10 173.76 1hq4 s SER 112 N 1.54 0.04 0.42 3.32 0.15 -0.98 -4.22 113.70 113.98 1hq4 s SER 112 Ca 0.17 -0.24 0.22 0.00 0.70 0.00 0.00 55.95 56.80 1hq4 s SER 112 Cb -0.16 0.20 0.36 0.00 -1.71 0.00 0.00 66.02 64.71 1hq4 s SER 112 CO -0.06 -0.38 1.61 0.00 1.20 0.00 0.00 173.24 175.61 1hq4 h ALA 113 N 4.25 0.95 -2.35 5.45 0.00 -1.96 -3.38 119.26 122.23 1hq4 h ALA 113 Ca -0.31 -0.07 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 1hq4 h ALA 113 Cb 1.19 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 19.08 1hq4 h ALA 113 CO 0.41 0.10 0.38 0.00 0.00 0.00 0.00 179.25 180.14 1hq4 n ALA 114 N -2.12 0.78 -1.76 0.00 0.00 -1.26 -4.96 120.51 111.19 1hq4 n ALA 114 Ca 0.03 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 1hq4 n ALA 114 Cb 0.55 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 1hq4 n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1hq4 s LYS 115 N -1.78 3.70 0.20 0.00 2.20 -1.26 -5.00 119.74 117.80 1hq4 s LYS 115 Ca 0.57 1.18 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 1hq4 s LYS 115 Cb -0.61 -2.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 1hq4 s LYS 115 CO 0.61 -0.49 1.28 0.99 -0.36 0.00 0.00 175.35 177.38 1hq4 s THR 116 N -2.33 3.27 -0.05 3.43 2.01 -1.26 -4.76 115.64 115.95 1hq4 s THR 116 Ca 0.63 1.06 -0.02 0.00 0.31 0.00 0.00 61.69 63.68 1hq4 s THR 116 Cb -0.14 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.73 1hq4 s THR 116 CO 0.28 0.17 0.09 -0.89 -0.69 0.00 0.00 174.62 173.58 1hq4 s THR 117 N -0.01 -0.14 1.10 -0.82 2.01 0.42 -4.97 115.64 113.23 1hq4 s THR 117 Ca 0.55 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.77 1hq4 s THR 117 Cb -0.36 -0.19 0.24 0.00 0.01 0.00 0.00 72.50 72.21 1hq4 s THR 117 CO 0.39 0.14 1.06 -2.16 -0.69 0.00 0.00 174.62 173.36 1hq4 s PRO 118 N 1.90 -0.36 0.30 4.92 0.04 -1.26 -1.18 135.00 139.36 1hq4 s PRO 118 Ca 0.00 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1hq4 s PRO 118 Cb -0.12 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1hq4 s PRO 118 CO -0.04 -3.28 0.49 -1.25 0.04 0.00 0.00 177.00 172.96 1hq4 s PRO 119 N -4.78 3.50 -0.22 0.56 0.04 -1.26 -3.76 135.00 129.07 1hq4 s PRO 119 Ca 0.67 -0.38 -0.06 0.00 0.04 0.00 0.00 61.00 61.28 1hq4 s PRO 119 Cb -0.21 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1hq4 s PRO 119 CO 0.60 0.24 0.02 -1.12 0.04 0.00 0.00 177.00 176.78 1hq4 s SER 120 N -3.80 4.84 -0.22 6.66 0.01 -0.47 -4.93 113.70 115.78 1hq4 s SER 120 Ca 0.39 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.35 1hq4 s SER 120 Cb -0.10 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 1hq4 s SER 120 CO 0.33 0.02 0.03 -0.69 0.41 0.00 0.00 173.24 173.34 1hq4 s VAL 121 N 1.29 4.09 -0.06 3.43 1.01 -1.26 -1.00 120.40 127.90 1hq4 s VAL 121 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1hq4 s VAL 121 Cb -0.15 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1hq4 s VAL 121 CO 0.01 0.39 -0.25 -0.31 0.00 0.00 0.00 175.10 174.94 1hq4 s TYR 122 N 1.29 2.44 0.44 5.22 2.02 0.29 -4.97 117.35 124.07 1hq4 s TYR 122 Ca 0.04 -0.72 -0.23 0.00 -0.37 0.00 0.00 57.07 55.79 1hq4 s TYR 122 Cb -0.15 -1.60 -0.08 0.00 -0.40 0.00 0.00 41.96 39.74 1hq4 s TYR 122 CO 0.02 -0.22 1.10 -2.14 -1.57 0.00 0.00 175.55 172.75 1hq4 s PRO 123 N -0.17 3.91 -0.48 -1.71 0.02 -1.26 -1.43 135.00 133.88 1hq4 s PRO 123 Ca -0.04 1.62 0.03 0.00 0.02 0.00 0.00 61.00 62.64 1hq4 s PRO 123 Cb -0.14 -2.42 0.14 0.00 0.02 0.00 0.00 34.50 32.11 1hq4 s PRO 123 CO 0.04 -0.38 0.29 -0.51 -0.33 0.00 0.00 177.00 176.10 1hq4 s LEU 124 N -2.94 3.06 0.48 -5.54 1.43 -0.81 -4.88 118.68 109.48 1hq4 s LEU 124 Ca 0.62 -2.90 -0.05 0.00 -1.03 0.00 0.00 54.13 50.77 1hq4 s LEU 124 Cb -0.25 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1hq4 s LEU 124 CO 0.30 -0.23 0.79 0.00 0.23 0.00 0.00 176.35 177.44 1hq4 s ALA 125 N -0.02 3.40 0.63 4.21 0.00 -1.26 -2.25 121.76 126.47 1hq4 s ALA 125 Ca 0.20 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 1hq4 s ALA 125 Cb -0.19 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1hq4 s ALA 125 CO -0.04 -0.36 1.04 -1.25 0.00 0.00 0.00 175.76 175.14 1hq4 s PRO 126 N -4.75 3.40 0.44 0.00 0.04 -1.26 -5.00 135.00 127.87 1hq4 s PRO 126 Ca 0.48 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 1hq4 s PRO 126 Cb -0.10 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1hq4 s PRO 126 CO 0.45 -0.73 0.91 0.41 0.04 0.00 0.00 177.00 178.08 1hq4 n GLY 127 N -2.26 -0.48 3.68 0.56 0.00 -1.26 -4.77 105.19 100.66 1hq4 n GLY 127 Ca 0.07 0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1hq4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hq4 n GLY 129 N 4.23 -0.85 0.00 0.00 0.00 -1.26 -4.89 105.19 102.42 1hq4 n GLY 129 Ca 0.20 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1hq4 n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hq4 n ASP 130 N 1.57 0.00 -3.68 1.61 5.68 -1.25 -5.11 116.55 115.37 1hq4 n ASP 130 Ca -0.03 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.97 1hq4 n ASP 130 Cb 0.32 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.15 1hq4 n ASP 130 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1hq4 s THR 131 N 0.00 0.59 -0.15 2.12 -4.23 -1.26 -4.95 115.64 107.75 1hq4 s THR 131 Ca 0.00 -1.20 0.13 0.00 -1.18 0.00 0.00 61.69 59.44 1hq4 s THR 131 Cb 0.00 -1.46 0.29 0.00 1.34 0.00 0.00 72.50 72.68 1hq4 s THR 131 CO 0.00 -0.69 1.22 0.41 -0.54 0.00 0.00 174.62 175.03 1hq4 n THR 132 N 4.97 0.22 0.00 3.99 -1.04 -1.26 -5.03 114.28 116.13 1hq4 n THR 132 Ca -0.03 -0.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.98 1hq4 n THR 132 Cb 0.42 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 1hq4 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hq4 n GLY 133 N -0.51 -1.41 0.08 3.41 0.00 -1.26 -4.92 105.19 100.59 1hq4 n GLY 133 Ca -0.13 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 1hq4 n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hq4 n SER 134 N 0.00 0.55 -3.99 1.61 3.41 -1.26 -4.75 113.62 109.20 1hq4 n SER 134 Ca 0.00 0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 58.68 1hq4 n SER 134 Cb 0.00 0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1hq4 n SER 134 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1hq4 s SER 135 N -5.65 0.87 0.16 4.04 1.04 -1.26 -1.56 113.70 111.33 1hq4 s SER 135 Ca -0.06 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1hq4 s SER 135 Cb 0.08 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1hq4 s SER 135 CO 0.83 0.08 0.17 -0.69 0.98 0.00 0.00 173.24 174.61 1hq4 s VAL 136 N -0.10 4.65 -0.19 5.02 1.01 0.88 -4.77 120.40 126.90 1hq4 s VAL 136 Ca 0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1hq4 s VAL 136 Cb -0.04 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 33.01 1hq4 s VAL 136 CO -0.00 -0.10 -0.03 -0.89 0.00 0.00 0.00 175.10 174.07 1hq4 s THR 137 N -1.75 1.10 0.60 3.92 2.01 -1.26 -1.37 115.64 118.88 1hq4 s THR 137 Ca 0.32 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1hq4 s THR 137 Cb -0.10 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.11 1hq4 s THR 137 CO 0.24 -0.02 0.82 -0.76 -0.69 0.00 0.00 174.62 174.22 1hq4 s LEU 138 N 1.62 3.17 0.31 4.42 2.01 -0.03 -4.63 118.68 125.56 1hq4 s LEU 138 Ca -0.02 -0.48 -0.19 0.00 0.01 0.00 0.00 54.13 53.45 1hq4 s LEU 138 Cb -0.17 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 43.95 1hq4 s LEU 138 CO -0.07 -1.40 0.74 -0.83 1.01 0.00 0.00 176.35 175.80 1hq4 s GLY 139 N -4.60 0.06 -0.12 -3.19 0.00 -0.96 -1.33 107.32 97.18 1hq4 s GLY 139 Ca 0.62 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.79 1hq4 s GLY 139 CO 0.40 -0.16 0.31 0.00 0.00 0.00 0.00 173.10 173.65 1hq4 s LEU 141 N 0.51 1.78 -0.22 0.00 2.96 -0.51 -1.45 118.68 121.76 1hq4 s LEU 141 Ca -0.03 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1hq4 s LEU 141 Cb -0.04 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1hq4 s LEU 141 CO -0.03 -0.02 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.25 1hq4 s VAL 142 N 1.28 3.40 0.07 1.68 1.01 0.11 -0.55 120.40 127.40 1hq4 s VAL 142 Ca 0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1hq4 s VAL 142 Cb -0.14 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1hq4 s VAL 142 CO -0.08 0.43 0.15 -1.59 0.00 0.00 0.00 175.10 174.01 1hq4 s LYS 143 N 1.41 0.77 0.00 2.72 -2.85 -0.17 -0.69 119.74 120.93 1hq4 s LYS 143 Ca 0.05 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1hq4 s LYS 143 Cb -0.14 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1hq4 s LYS 143 CO -0.03 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1hq4 n GLY 144 N 0.15 0.77 3.93 0.59 0.00 -0.48 -1.37 105.19 108.78 1hq4 n GLY 144 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1hq4 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hq4 s TYR 145 N -2.78 3.29 -0.28 1.61 1.13 -1.15 -4.66 117.35 114.51 1hq4 s TYR 145 Ca 0.00 0.48 -0.27 0.00 -1.41 0.00 0.00 57.07 55.87 1hq4 s TYR 145 Cb 0.00 -2.46 0.18 0.00 -1.10 0.00 0.00 41.96 38.58 1hq4 s TYR 145 CO 0.00 -0.51 1.35 0.12 -2.51 0.00 0.00 175.55 173.99 1hq4 s PHE 146 N -2.74 -0.11 0.93 -3.49 2.19 -0.33 -0.21 117.98 114.21 1hq4 s PHE 146 Ca 0.50 0.24 -0.15 0.00 0.33 0.00 0.00 56.93 57.86 1hq4 s PHE 146 Cb -0.10 0.47 0.18 0.00 -1.31 0.00 0.00 43.02 42.26 1hq4 s PHE 146 CO 0.42 -0.07 1.29 -1.25 1.83 0.00 0.00 175.22 177.43 1hq4 s PRO 147 N -0.36 0.89 0.91 10.12 0.04 -1.26 -0.44 135.00 144.90 1hq4 s PRO 147 Ca 0.07 -0.35 -0.11 0.00 0.04 0.00 0.00 61.00 60.65 1hq4 s PRO 147 Cb -0.03 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.76 1hq4 s PRO 147 CO -0.11 -2.25 1.12 0.39 0.04 0.00 0.00 177.00 176.19 1hq4 n GLU 148 N -3.66 -0.37 0.00 4.56 -0.58 -1.26 -4.82 120.64 114.51 1hq4 n GLU 148 Ca 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1hq4 n GLU 148 Cb 0.60 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 1hq4 n GLU 148 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1hq4 n SER 149 N -3.99 0.00 -4.11 1.62 2.88 -1.26 -4.96 113.62 103.80 1hq4 n SER 149 Ca 0.12 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.48 1hq4 n SER 149 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.85 1hq4 n SER 149 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1hq4 s VAL 150 N 0.00 0.91 -0.21 2.46 -7.23 -1.26 -4.38 120.40 110.69 1hq4 s VAL 150 Ca 0.00 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1hq4 s VAL 150 Cb 0.00 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1hq4 s VAL 150 CO 0.00 -0.09 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.71 1hq4 s THR 151 N -0.93 2.89 -0.11 5.32 2.01 0.61 -4.96 115.64 120.47 1hq4 s THR 151 Ca -0.01 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1hq4 s THR 151 Cb -0.08 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1hq4 s THR 151 CO 0.01 0.45 -0.21 0.54 -0.69 0.00 0.00 174.62 174.72 1hq4 s VAL 152 N 1.41 1.89 0.04 3.82 0.11 -1.26 -0.72 120.40 125.69 1hq4 s VAL 152 Ca 0.05 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1hq4 s VAL 152 Cb -0.14 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.03 1hq4 s VAL 152 CO -0.07 0.52 -0.08 0.42 -3.33 0.00 0.00 175.10 172.56 1hq4 s THR 153 N 0.60 0.58 -0.30 5.04 -4.23 -0.38 -4.98 115.64 111.98 1hq4 s THR 153 Ca -0.13 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1hq4 s THR 153 Cb -0.17 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 1hq4 s THR 153 CO 0.04 -0.30 0.26 0.26 -0.54 0.00 0.00 174.62 174.34 1hq4 s TRP 154 N -1.22 3.23 -1.22 3.99 0.52 -1.26 0.11 118.94 123.10 1hq4 s TRP 154 Ca -0.08 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.14 1hq4 s TRP 154 Cb -0.09 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.74 1hq4 s TRP 154 CO 0.00 -0.25 0.91 0.09 0.02 0.00 0.00 176.95 177.72 1hq4 n ASN 155 N 5.18 -2.22 -4.19 2.95 3.02 0.82 -2.06 115.26 118.76 1hq4 n ASN 155 Ca -0.12 -0.69 -0.39 0.00 -0.03 0.00 0.00 54.58 53.36 1hq4 n ASN 155 Cb 0.51 -4.82 -0.04 0.00 -0.61 0.00 0.00 39.78 34.83 1hq4 n ASN 155 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1hq4 n SER 156 N -3.11 -1.63 0.00 6.41 3.41 -1.26 -0.80 113.62 116.63 1hq4 n SER 156 Ca -0.27 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 1hq4 n SER 156 Cb 0.67 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1hq4 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 157 N -2.32 2.71 0.42 5.00 0.00 -1.20 -4.90 105.19 104.90 1hq4 n GLY 157 Ca -0.22 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1hq4 n GLY 157 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1hq4 h SER 158 N 0.00 -1.72 -3.39 1.61 0.87 -1.02 -3.36 113.55 106.54 1hq4 h SER 158 Ca 0.00 0.25 -0.59 0.00 -1.23 0.00 0.00 61.79 60.22 1hq4 h SER 158 Cb 0.00 0.74 -0.08 0.00 -0.44 0.00 0.00 62.40 62.62 1hq4 h SER 158 CO 0.00 -0.36 0.65 -0.76 -0.53 0.00 0.00 176.83 175.83 1hq4 s LEU 159 N -10.47 4.00 0.00 2.23 1.43 -0.88 -4.81 118.68 110.18 1hq4 s LEU 159 Ca -0.14 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1hq4 s LEU 159 Cb 0.11 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1hq4 s LEU 159 CO 0.64 -0.79 0.00 -1.54 0.23 0.00 0.00 176.35 174.89 1hq4 n SER 160 N 6.63 2.77 -4.75 2.29 3.41 -1.26 -4.28 113.62 118.43 1hq4 n SER 160 Ca 0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.29 1hq4 n SER 160 Cb 0.48 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1hq4 n SER 160 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hq4 s SER 161 N -3.21 7.64 -0.55 4.04 0.15 -1.26 -3.92 113.70 116.58 1hq4 s SER 161 Ca 0.00 1.93 -0.01 0.00 0.70 0.00 0.00 55.95 58.57 1hq4 s SER 161 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1hq4 s SER 161 CO 0.00 0.16 0.15 -1.20 1.20 0.00 0.00 173.24 173.55 1hq4 n SER 162 N 1.53 -2.98 -4.32 5.45 7.64 -1.26 -4.80 113.62 114.88 1hq4 n SER 162 Ca -0.02 -0.07 -0.23 0.00 1.01 0.00 0.00 58.87 59.55 1hq4 n SER 162 Cb 0.47 -2.01 -0.12 0.00 -1.01 0.00 0.00 64.21 61.55 1hq4 n SER 162 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1hq4 s VAL 163 N -2.64 1.83 -0.05 0.44 -7.23 -1.25 -1.23 120.40 110.26 1hq4 s VAL 163 Ca 0.08 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1hq4 s VAL 163 Cb -0.03 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.19 1hq4 s VAL 163 CO 0.09 -0.18 0.09 -1.00 -0.31 0.00 0.00 175.10 173.79 1hq4 s HIS 164 N -1.62 -0.02 -0.03 2.82 3.76 -0.46 -5.00 115.29 114.74 1hq4 s HIS 164 Ca 0.12 0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 55.38 1hq4 s HIS 164 Cb -0.08 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 1hq4 s HIS 164 CO 0.06 -0.20 0.06 0.00 -0.85 0.00 0.00 174.74 173.80 1hq4 s ALA 165 N 2.04 3.49 0.09 -1.40 0.00 -1.26 -0.99 121.76 123.74 1hq4 s ALA 165 Ca 0.02 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1hq4 s ALA 165 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1hq4 s ALA 165 CO -0.04 0.66 -0.05 -0.06 0.00 0.00 0.00 175.76 176.27 1hq4 s PHE 166 N -1.11 2.86 0.21 0.00 0.40 0.45 -4.98 117.98 115.82 1hq4 s PHE 166 Ca 0.20 -0.09 -0.32 0.00 -0.60 0.00 0.00 56.93 56.12 1hq4 s PHE 166 Cb -0.12 -1.49 -0.12 0.00 0.51 0.00 0.00 43.02 41.80 1hq4 s PHE 166 CO 0.10 0.45 1.72 -2.14 0.70 0.00 0.00 175.22 176.06 1hq4 s PRO 167 N -2.23 4.12 0.78 0.24 0.02 -1.26 -4.29 135.00 132.38 1hq4 s PRO 167 Ca 0.23 2.61 -0.14 0.00 0.02 0.00 0.00 61.00 63.72 1hq4 s PRO 167 Cb -0.11 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.39 1hq4 s PRO 167 CO 0.16 -0.75 1.18 0.00 -0.33 0.00 0.00 177.00 177.25 1hq4 n ALA 168 N 3.95 0.09 -2.59 -1.55 0.00 -1.26 -4.87 120.51 114.28 1hq4 n ALA 168 Ca 0.16 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 1hq4 n ALA 168 Cb 0.35 -2.24 -0.16 0.00 0.00 0.00 0.00 19.45 17.41 1hq4 n ALA 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hq4 s LEU 169 N -5.08 2.01 -0.44 0.00 2.01 0.18 -4.94 118.68 112.43 1hq4 s LEU 169 Ca 0.75 -0.35 -0.15 0.00 0.01 0.00 0.00 54.13 54.38 1hq4 s LEU 169 Cb -0.31 -1.00 0.04 0.00 0.01 0.00 0.00 46.19 44.93 1hq4 s LEU 169 CO 0.49 0.21 0.34 -0.22 1.01 0.00 0.00 176.35 178.19 1hq4 s LEU 170 N -0.31 5.32 -0.28 1.79 1.98 -1.26 -1.30 118.68 124.62 1hq4 s LEU 170 Ca 0.04 -1.07 0.03 0.00 -2.89 0.00 0.00 54.13 50.23 1hq4 s LEU 170 Cb -0.09 -2.17 0.07 0.00 0.66 0.00 0.00 46.19 44.66 1hq4 s LEU 170 CO 0.00 -0.53 -0.07 -1.58 -1.89 0.00 0.00 176.35 172.28 1hq4 s GLN 171 N 1.66 2.14 -0.84 1.98 0.74 0.25 -4.82 119.66 120.77 1hq4 s GLN 171 Ca 0.05 -1.43 -0.03 0.00 0.05 0.00 0.00 55.36 54.00 1hq4 s GLN 171 Cb -0.21 -2.98 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 1hq4 s GLN 171 CO 0.09 -0.64 0.72 -1.13 -0.55 0.00 0.00 175.29 173.78 1hq4 n SER 172 N 4.42 -6.83 -2.03 6.67 3.41 -1.26 -2.88 113.62 115.12 1hq4 n SER 172 Ca -0.11 -0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 57.94 1hq4 n SER 172 Cb 0.42 -4.41 -0.03 0.00 -0.26 0.00 0.00 64.21 59.93 1hq4 n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 173 N -1.67 0.19 3.16 5.00 0.00 -1.26 -4.94 105.19 105.67 1hq4 n GLY 173 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1hq4 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hq4 s LEU 174 N -4.94 1.04 -0.12 0.99 1.02 -1.14 -4.92 118.68 110.61 1hq4 s LEU 174 Ca 0.00 0.35 -0.07 0.00 0.02 0.00 0.00 54.13 54.43 1hq4 s LEU 174 Cb 0.00 0.95 -0.04 0.00 0.02 0.00 0.00 46.19 47.12 1hq4 s LEU 174 CO 0.00 -0.20 0.13 -0.31 0.02 0.00 0.00 176.35 175.99 1hq4 s TYR 175 N -0.35 3.57 -0.03 0.29 2.02 0.70 -0.58 117.35 122.96 1hq4 s TYR 175 Ca -0.05 0.51 0.05 0.00 -0.37 0.00 0.00 57.07 57.20 1hq4 s TYR 175 Cb -0.03 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1hq4 s TYR 175 CO 0.01 0.72 -0.17 0.99 -1.57 0.00 0.00 175.55 175.54 1hq4 s THR 176 N -1.02 1.37 0.04 -0.71 2.01 -0.42 -1.38 115.64 115.53 1hq4 s THR 176 Ca 0.15 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1hq4 s THR 176 Cb -0.12 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1hq4 s THR 176 CO 0.04 0.39 0.30 -0.32 -0.69 0.00 0.00 174.62 174.35 1hq4 s MET 177 N -0.11 0.80 0.16 4.92 0.00 0.13 -0.64 119.30 124.56 1hq4 s MET 177 Ca -0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 55.69 55.12 1hq4 s MET 177 Cb -0.10 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.07 1hq4 s MET 177 CO 0.01 -0.25 0.26 -1.54 0.00 0.00 0.00 175.02 173.49 1hq4 s SER 178 N -2.02 0.07 -0.11 1.11 1.04 -1.26 -0.71 113.70 111.81 1hq4 s SER 178 Ca -0.05 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.31 1hq4 s SER 178 Cb -0.01 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.57 1hq4 s SER 178 CO -0.03 -0.87 0.44 -0.55 0.98 0.00 0.00 173.24 173.21 1hq4 s SER 179 N -2.97 -0.42 0.17 7.02 0.15 -0.53 -0.41 113.70 116.72 1hq4 s SER 179 Ca 0.17 0.65 0.09 0.00 0.70 0.00 0.00 55.95 57.56 1hq4 s SER 179 Cb 0.04 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 65.01 1hq4 s SER 179 CO -0.00 -0.30 -0.20 -0.94 1.20 0.00 0.00 173.24 173.00 1hq4 s SER 180 N -0.40 2.87 -0.05 5.45 1.04 -0.16 -0.54 113.70 121.92 1hq4 s SER 180 Ca -0.05 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 1hq4 s SER 180 Cb -0.03 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1hq4 s SER 180 CO 0.03 0.00 0.09 0.54 0.98 0.00 0.00 173.24 174.88 1hq4 s VAL 181 N -1.96 -0.08 -0.17 5.02 0.11 -0.44 -1.36 120.40 121.53 1hq4 s VAL 181 Ca 0.17 0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1hq4 s VAL 181 Cb -0.06 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1hq4 s VAL 181 CO 0.07 0.10 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.01 1hq4 s THR 182 N 1.30 3.77 0.21 5.04 2.01 -0.37 -0.85 115.64 126.75 1hq4 s THR 182 Ca -0.07 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1hq4 s THR 182 Cb -0.12 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1hq4 s THR 182 CO -0.04 0.47 0.03 0.68 -0.69 0.00 0.00 174.62 175.07 1hq4 s VAL 183 N 0.62 0.67 0.47 3.82 -7.23 -0.47 -4.76 120.40 113.51 1hq4 s VAL 183 Ca -0.03 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 1hq4 s VAL 183 Cb -0.14 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 1hq4 s VAL 183 CO 0.02 -0.29 1.16 -2.16 -0.31 0.00 0.00 175.10 173.52 1hq4 s PRO 184 N -3.95 3.69 0.54 4.82 0.04 -1.26 -0.08 135.00 138.79 1hq4 s PRO 184 Ca 0.29 1.74 0.36 0.00 0.04 0.00 0.00 61.00 63.44 1hq4 s PRO 184 Cb 0.07 -2.34 1.54 0.00 0.04 0.00 0.00 34.50 33.81 1hq4 s PRO 184 CO 0.08 -0.60 1.80 0.66 0.04 0.00 0.00 177.00 178.98 1hq4 h SER 185 N 1.90 0.02 -0.23 6.66 4.64 -1.58 -1.79 113.55 123.17 1hq4 h SER 185 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 1hq4 h SER 185 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1hq4 h SER 185 CO 0.60 0.00 -0.45 0.28 -0.87 0.00 0.00 176.83 176.39 1hq4 h SER 186 N 0.01 0.86 0.19 4.97 0.02 -1.90 -3.34 113.55 114.35 1hq4 h SER 186 Ca 0.58 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1hq4 h SER 186 Cb 2.29 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 64.54 1hq4 h SER 186 CO -0.02 1.17 -0.42 0.74 -1.14 0.00 0.00 176.83 177.16 1hq4 h THR 187 N 0.64 0.15 -2.92 -2.27 2.02 -1.69 -3.42 112.91 105.42 1hq4 h THR 187 Ca 0.04 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.60 1hq4 h THR 187 Cb 1.02 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1hq4 h THR 187 CO 0.10 0.00 -0.47 0.86 0.37 0.00 0.00 175.52 176.37 1hq4 s TRP 188 N -5.91 3.52 -2.18 3.16 -0.00 -1.25 -0.51 118.94 115.76 1hq4 s TRP 188 Ca -0.16 0.31 0.18 0.00 -0.00 0.00 0.00 56.10 56.43 1hq4 s TRP 188 Cb 0.07 -1.81 0.69 0.00 -0.00 0.00 0.00 33.47 32.42 1hq4 s TRP 188 CO 0.63 0.59 1.50 -0.35 -0.00 0.00 0.00 176.95 179.31 1hq4 n PRO 189 N 0.42 1.63 0.00 5.86 -0.04 -1.26 -4.88 135.00 136.73 1hq4 n PRO 189 Ca -0.06 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1hq4 n PRO 189 Cb 0.51 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1hq4 n PRO 189 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1hq4 n SER 190 N 0.19 0.00 -4.75 3.54 7.64 -1.11 -4.52 113.62 114.61 1hq4 n SER 190 Ca 0.14 0.72 -0.41 0.00 1.01 0.00 0.00 58.87 60.34 1hq4 n SER 190 Cb 0.28 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1hq4 n SER 190 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1hq4 s GLN 191 N -1.90 4.21 0.14 1.43 -0.21 0.33 -4.95 119.66 118.72 1hq4 s GLN 191 Ca 0.00 2.42 -0.30 0.00 0.02 0.00 0.00 55.36 57.49 1hq4 s GLN 191 Cb 0.00 -3.06 -0.07 0.00 1.00 0.00 0.00 33.01 30.88 1hq4 s GLN 191 CO 0.00 -0.48 1.23 0.99 -2.12 0.00 0.00 175.29 174.91 1hq4 s THR 192 N -0.25 3.65 -0.25 -0.19 2.01 -1.26 -4.58 115.64 114.77 1hq4 s THR 192 Ca 0.59 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.89 1hq4 s THR 192 Cb -0.44 -3.83 0.06 0.00 0.01 0.00 0.00 72.50 68.31 1hq4 s THR 192 CO 0.48 0.16 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1hq4 s VAL 193 N 0.45 1.68 0.10 3.82 1.01 -1.26 -5.02 120.40 121.18 1hq4 s VAL 193 Ca 0.56 -1.39 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1hq4 s VAL 193 Cb -0.32 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1hq4 s VAL 193 CO 0.34 -0.14 -0.04 -0.89 0.00 0.00 0.00 175.10 174.36 1hq4 s THR 194 N 1.31 3.75 -0.27 3.92 2.01 -1.26 -2.14 115.64 122.96 1hq4 s THR 194 Ca -0.05 -1.13 -0.06 0.00 0.31 0.00 0.00 61.69 60.77 1hq4 s THR 194 Cb -0.19 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1hq4 s THR 194 CO -0.07 0.10 0.04 0.00 -0.69 0.00 0.00 174.62 174.00 1hq4 s SER 196 N 1.50 6.36 -0.06 0.00 0.01 0.12 -1.94 113.70 119.69 1hq4 s SER 196 Ca 0.04 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.73 1hq4 s SER 196 Cb -0.16 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1hq4 s SER 196 CO 0.01 -0.02 -0.07 -0.69 0.41 0.00 0.00 173.24 172.88 1hq4 s VAL 197 N 1.14 0.75 -0.05 3.43 1.01 -0.23 -1.25 120.40 125.20 1hq4 s VAL 197 Ca 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1hq4 s VAL 197 Cb -0.14 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1hq4 s VAL 197 CO 0.07 0.28 -0.10 0.00 0.00 0.00 0.00 175.10 175.35 1hq4 s ALA 198 N 1.02 1.03 -0.36 5.51 0.00 0.10 -0.53 121.76 128.54 1hq4 s ALA 198 Ca -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1hq4 s ALA 198 Cb -0.14 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.61 1hq4 s ALA 198 CO -0.00 0.10 0.09 -1.58 0.00 0.00 0.00 175.76 174.36 1hq4 s HIS 199 N 0.61 3.21 0.12 0.00 2.46 -0.45 -0.29 115.29 120.95 1hq4 s HIS 199 Ca -0.11 -2.74 -0.21 0.00 0.47 0.00 0.00 55.06 52.47 1hq4 s HIS 199 Cb -0.14 -2.63 -0.06 0.00 -0.13 0.00 0.00 32.58 29.63 1hq4 s HIS 199 CO 0.02 -0.91 1.71 -1.35 -2.47 0.00 0.00 174.74 171.74 1hq4 h PRO 200 N 7.56 -0.03 0.00 2.88 0.11 -1.83 -1.36 132.00 139.33 1hq4 h PRO 200 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1hq4 h PRO 200 Cb 1.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1hq4 h PRO 200 CO 0.53 -0.02 0.13 0.00 -0.21 0.00 0.00 178.00 178.43 1hq4 n ALA 201 N -2.34 0.73 -1.53 -0.75 0.00 -1.26 0.05 120.51 115.41 1hq4 n ALA 201 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hq4 n ALA 201 Cb 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1hq4 n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hq4 n SER 202 N -1.20 0.00 -3.36 0.00 3.41 -1.07 -4.92 113.62 106.47 1hq4 n SER 202 Ca 0.00 -1.46 -0.17 0.00 -0.26 0.00 0.00 58.87 56.98 1hq4 n SER 202 Cb 0.13 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1hq4 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1hq4 n SER 203 N 0.00 -3.26 -3.94 4.04 7.64 0.11 -4.95 113.62 113.25 1hq4 n SER 203 Ca 0.00 -0.65 -0.19 0.00 1.01 0.00 0.00 58.87 59.04 1hq4 n SER 203 Cb 0.59 -1.08 -0.16 0.00 -1.01 0.00 0.00 64.21 62.56 1hq4 n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hq4 s THR 204 N -2.61 0.59 -0.19 0.44 -4.23 -0.90 -5.02 115.64 103.72 1hq4 s THR 204 Ca 0.01 -0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1hq4 s THR 204 Cb -0.00 -0.56 0.05 0.00 1.34 0.00 0.00 72.50 73.32 1hq4 s THR 204 CO 0.61 0.21 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.95 1hq4 s THR 205 N 0.49 1.29 -0.05 3.99 2.01 -1.26 -1.34 115.64 120.77 1hq4 s THR 205 Ca -0.07 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1hq4 s THR 205 Cb -0.10 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1hq4 s THR 205 CO 0.00 0.06 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.18 1hq4 s VAL 206 N 1.54 3.29 -0.16 3.82 1.01 0.31 -5.00 120.40 125.21 1hq4 s VAL 206 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1hq4 s VAL 206 Cb -0.16 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1hq4 s VAL 206 CO -0.07 0.57 -0.09 -1.81 0.00 0.00 0.00 175.10 173.70 1hq4 s ASP 207 N -0.82 2.82 -0.18 3.32 -0.00 -1.26 -1.07 116.67 119.48 1hq4 s ASP 207 Ca 0.12 -0.61 0.01 0.00 -0.00 0.00 0.00 52.55 52.07 1hq4 s ASP 207 Cb -0.11 -1.05 0.04 0.00 -0.00 0.00 0.00 42.92 41.80 1hq4 s ASP 207 CO 0.01 -0.13 -0.12 -0.54 -0.00 0.00 0.00 175.17 174.39 1hq4 s LYS 208 N 1.55 2.16 -0.01 8.23 -0.14 -0.82 -4.97 119.74 125.74 1hq4 s LYS 208 Ca 0.02 -0.75 -0.19 0.00 -1.36 0.00 0.00 55.97 53.69 1hq4 s LYS 208 Cb -0.14 -2.32 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 1hq4 s LYS 208 CO -0.09 -0.36 0.53 -1.59 -0.76 0.00 0.00 175.35 173.09 1hq4 s LYS 209 N 1.42 4.22 -0.49 1.68 -2.85 -1.26 -0.72 119.74 121.75 1hq4 s LYS 209 Ca 0.01 0.62 -0.29 0.00 -1.00 0.00 0.00 55.97 55.31 1hq4 s LYS 209 Cb -0.15 -3.32 0.03 0.00 -2.06 0.00 0.00 37.83 32.33 1hq4 s LYS 209 CO -0.09 0.45 1.19 -0.51 0.10 0.00 0.00 175.35 176.49 1hq4 s LEU 210 N -0.40 3.59 0.08 2.77 2.01 -0.91 -4.96 118.68 120.86 1hq4 s LEU 210 Ca 0.28 0.46 0.03 0.00 0.01 0.00 0.00 54.13 54.91 1hq4 s LEU 210 Cb -0.18 -3.48 -0.04 0.00 0.01 0.00 0.00 46.19 42.50 1hq4 s LEU 210 CO 0.16 -1.33 0.06 -1.61 1.01 0.00 0.00 176.35 174.64 1hq4 s GLU 211 N 4.63 2.80 0.21 1.70 2.02 -1.26 -4.77 118.70 124.03 1hq4 s GLU 211 Ca 0.49 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 54.45 1hq4 s GLU 211 Cb -0.08 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.37 1hq4 s GLU 211 CO 0.31 0.56 1.47 -2.14 0.02 0.00 0.00 175.26 175.48 1hq4 s PRO 212 N -2.37 4.26 0.00 0.39 0.02 -1.26 -4.77 135.00 131.26 1hq4 s PRO 212 Ca 0.28 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1hq4 s PRO 212 Cb -0.12 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1hq4 s PRO 212 CO 0.21 -0.48 0.45 1.63 -0.33 0.00 0.00 177.00 178.48