#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hq4 s ILE 2 N 0.00 4.40 -0.27 5.18 1.01 -1.26 -4.99 121.20 125.27 1hq4 s ILE 2 Ca 0.00 1.72 -0.22 0.00 0.00 0.00 0.00 60.65 62.15 1hq4 s ILE 2 Cb 0.00 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1hq4 s ILE 2 CO 0.00 0.12 0.70 -0.69 0.00 0.00 0.00 174.94 175.07 1hq4 s VAL 3 N 1.13 4.91 -0.38 2.92 1.01 -1.26 -4.74 120.40 124.00 1hq4 s VAL 3 Ca 0.56 1.21 -0.17 0.00 0.00 0.00 0.00 61.98 63.57 1hq4 s VAL 3 Cb -0.26 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1hq4 s VAL 3 CO 0.28 -0.06 0.47 -0.76 0.00 0.00 0.00 175.10 175.03 1hq4 s LEU 4 N 2.67 4.56 -0.25 3.92 1.43 -1.26 -1.80 118.68 127.95 1hq4 s LEU 4 Ca 0.29 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1hq4 s LEU 4 Cb -0.15 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1hq4 s LEU 4 CO 0.09 -0.52 0.24 -0.89 0.23 0.00 0.00 176.35 175.50 1hq4 s THR 5 N 2.27 5.29 0.06 5.49 2.01 0.15 -4.01 115.64 126.91 1hq4 s THR 5 Ca 0.15 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.52 1hq4 s THR 5 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1hq4 s THR 5 CO 0.14 0.27 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.16 1hq4 s GLN 6 N 1.50 2.35 -0.14 4.92 -0.21 -1.26 0.69 119.66 127.51 1hq4 s GLN 6 Ca 0.10 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 1hq4 s GLN 6 Cb -0.15 -2.41 0.09 0.00 1.00 0.00 0.00 33.01 31.53 1hq4 s GLN 6 CO 0.08 0.55 0.78 -1.54 -2.12 0.00 0.00 175.29 173.04 1hq4 s SER 7 N -1.91 -0.61 0.95 5.90 1.04 -0.98 -4.53 113.70 113.57 1hq4 s SER 7 Ca 0.20 0.85 -0.12 0.00 0.48 0.00 0.00 55.95 57.36 1hq4 s SER 7 Cb -0.11 0.75 0.16 0.00 0.10 0.00 0.00 66.02 66.92 1hq4 s SER 7 CO 0.12 -0.43 1.10 -2.16 0.98 0.00 0.00 173.24 172.84 1hq4 s PRO 8 N -0.67 0.85 0.05 4.02 0.04 -1.26 -1.23 135.00 136.81 1hq4 s PRO 8 Ca -0.05 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.63 1hq4 s PRO 8 Cb -0.02 -1.78 -0.25 0.00 0.04 0.00 0.00 34.50 32.50 1hq4 s PRO 8 CO 0.05 -2.47 1.03 1.15 0.04 0.00 0.00 177.00 176.80 1hq4 h THR 9 N -1.71 1.37 -2.64 1.26 2.02 -1.82 -3.40 112.91 107.99 1hq4 h THR 9 Ca -0.52 -3.06 -0.10 0.00 0.77 0.00 0.00 66.41 63.51 1hq4 h THR 9 Cb 1.31 2.77 -0.20 0.00 -1.74 0.00 0.00 68.15 70.29 1hq4 h THR 9 CO 0.57 0.83 -0.11 -0.51 0.37 0.00 0.00 175.52 176.67 1hq4 s ILE 10 N -2.65 0.03 -0.19 3.11 -1.16 -1.26 -1.70 121.20 117.37 1hq4 s ILE 10 Ca -0.04 -0.26 -0.28 0.00 -0.51 0.00 0.00 60.65 59.56 1hq4 s ILE 10 Cb 0.08 -0.74 0.12 0.00 0.61 0.00 0.00 42.46 42.53 1hq4 s ILE 10 CO 0.84 -0.14 0.97 -0.32 -2.81 0.00 0.00 174.94 173.48 1hq4 s MET 11 N -1.05 0.62 -0.13 3.50 -2.45 -1.06 -4.95 119.30 113.78 1hq4 s MET 11 Ca -0.11 0.33 -0.05 0.00 -1.25 0.00 0.00 55.69 54.61 1hq4 s MET 11 Cb -0.03 0.29 -0.04 0.00 1.25 0.00 0.00 34.83 36.30 1hq4 s MET 11 CO 0.06 -0.15 0.06 -1.12 1.05 0.00 0.00 175.02 174.91 1hq4 s SER 12 N -0.62 5.69 -0.01 1.11 0.01 -1.26 -0.97 113.70 117.65 1hq4 s SER 12 Ca -0.01 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.49 1hq4 s SER 12 Cb -0.02 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1hq4 s SER 12 CO -0.00 0.32 -0.10 -0.69 0.41 0.00 0.00 173.24 173.17 1hq4 s VAL 13 N -0.49 0.79 0.22 3.43 1.01 -0.39 -4.90 120.40 120.09 1hq4 s VAL 13 Ca 0.10 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1hq4 s VAL 13 Cb -0.12 -0.67 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 1hq4 s VAL 13 CO 0.02 0.23 0.68 -0.44 0.00 0.00 0.00 175.10 175.59 1hq4 s SER 14 N -0.16 6.95 0.60 3.32 0.01 -1.26 -1.06 113.70 122.10 1hq4 s SER 14 Ca 0.03 1.31 -0.18 0.00 1.31 0.00 0.00 55.95 58.41 1hq4 s SER 14 Cb -0.05 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1hq4 s SER 14 CO -0.00 0.00 0.86 -2.65 0.41 0.00 0.00 173.24 171.86 1hq4 n PRO 15 N 0.53 0.77 0.00 12.44 -0.02 -1.26 -2.21 135.00 145.26 1hq4 n PRO 15 Ca -0.02 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1hq4 n PRO 15 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1hq4 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hq4 n GLY 16 N 1.41 2.98 3.82 -1.23 0.00 -0.76 -4.84 105.19 106.57 1hq4 n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1hq4 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hq4 s GLU 17 N 0.00 2.64 -0.13 1.61 0.41 -0.94 -4.31 118.70 117.98 1hq4 s GLU 17 Ca 0.00 0.76 -0.08 0.00 -0.41 0.00 0.00 54.97 55.24 1hq4 s GLU 17 Cb 0.00 -1.97 -0.04 0.00 -1.78 0.00 0.00 34.13 30.34 1hq4 s GLU 17 CO 0.00 -1.26 0.16 0.21 -0.49 0.00 0.00 175.26 173.88 1hq4 s LYS 18 N -5.13 3.66 0.01 1.61 2.20 -1.19 -0.01 119.74 120.89 1hq4 s LYS 18 Ca 0.59 -0.11 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1hq4 s LYS 18 Cb -0.14 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1hq4 s LYS 18 CO 0.54 0.65 -0.05 0.54 -0.36 0.00 0.00 175.35 176.67 1hq4 s VAL 19 N -0.68 0.41 -0.21 4.02 0.11 -0.93 -5.00 120.40 118.12 1hq4 s VAL 19 Ca 0.14 -0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1hq4 s VAL 19 Cb -0.12 -0.39 0.06 0.00 -1.53 0.00 0.00 36.38 34.40 1hq4 s VAL 19 CO 0.03 -0.04 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.86 1hq4 s THR 20 N -0.48 1.05 0.47 5.04 2.01 -1.26 -0.49 115.64 121.98 1hq4 s THR 20 Ca -0.02 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 1hq4 s THR 20 Cb -0.04 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.97 1hq4 s THR 20 CO -0.00 -0.14 0.88 -0.76 -0.69 0.00 0.00 174.62 173.91 1hq4 s LEU 21 N 1.62 3.70 0.12 4.42 1.43 0.10 -4.81 118.68 125.26 1hq4 s LEU 21 Ca -0.03 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1hq4 s LEU 21 Cb -0.18 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 1hq4 s LEU 21 CO -0.07 -0.51 -0.13 -0.89 0.23 0.00 0.00 176.35 174.98 1hq4 s THR 22 N -2.53 1.24 -0.21 5.49 2.01 -0.36 -1.51 115.64 119.77 1hq4 s THR 22 Ca 0.55 -1.72 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 1hq4 s THR 22 Cb -0.10 -1.51 0.10 0.00 0.01 0.00 0.00 72.50 71.00 1hq4 s THR 22 CO 0.33 -0.46 0.25 0.00 -0.69 0.00 0.00 174.62 174.04 1hq4 s SER 24 N 2.36 5.08 -0.05 0.00 0.01 0.22 -1.40 113.70 119.92 1hq4 s SER 24 Ca 0.08 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.27 1hq4 s SER 24 Cb -0.16 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1hq4 s SER 24 CO -0.13 0.20 0.16 0.00 0.41 0.00 0.00 173.24 173.88 1hq4 s ALA 25 N 0.17 3.89 -2.00 1.44 0.00 -0.73 0.35 121.76 124.88 1hq4 s ALA 25 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1hq4 s ALA 25 Cb -0.13 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1hq4 s ALA 25 CO 0.02 0.70 0.32 -1.13 0.00 0.00 0.00 175.76 175.66 1hq4 n SER 26 N 1.35 0.00 -4.82 0.00 3.41 -0.75 -4.90 113.62 107.92 1hq4 n SER 26 Ca -0.14 -0.56 -0.35 0.00 -0.26 0.00 0.00 58.87 57.55 1hq4 n SER 26 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1hq4 n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1hq4 s SER 27 N -1.73 7.00 0.03 4.04 1.04 -1.26 -4.99 113.70 117.84 1hq4 s SER 27 Ca 0.01 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 1hq4 s SER 27 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 1hq4 s SER 27 CO 0.00 -0.05 -0.02 0.68 0.98 0.00 0.00 173.24 174.83 1hq4 s VAL 28 N -1.67 0.14 0.08 5.02 -7.23 -1.01 -5.02 120.40 110.71 1hq4 s VAL 28 Ca 0.47 -1.18 -0.31 0.00 -1.81 0.00 0.00 61.98 59.15 1hq4 s VAL 28 Cb -0.15 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.04 1hq4 s VAL 28 CO 0.20 -0.65 1.66 -0.55 -0.31 0.00 0.00 175.10 175.45 1hq4 s SER 29 N -1.93 6.59 0.64 4.85 0.15 -1.26 -4.38 113.70 118.36 1hq4 s SER 29 Ca -0.09 2.51 0.32 0.00 0.70 0.00 0.00 55.95 59.40 1hq4 s SER 29 Cb -0.04 -2.56 1.77 0.00 -1.71 0.00 0.00 66.02 63.47 1hq4 s SER 29 CO -0.04 -0.89 2.03 0.77 1.20 0.00 0.00 173.24 176.31 1hq4 h SER 30 N 8.26 0.00 1.30 5.45 4.64 -1.92 -0.09 113.55 131.18 1hq4 h SER 30 Ca -0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1hq4 h SER 30 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1hq4 h SER 30 CO 0.93 0.00 -0.11 0.78 -0.87 0.00 0.00 176.83 177.56 1hq4 h ASN 31 N 0.00 0.00 -0.94 4.97 2.35 -1.89 -2.78 115.58 117.29 1hq4 h ASN 31 Ca 0.04 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.19 1hq4 h ASN 31 Cb 0.57 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.56 1hq4 h ASN 31 CO -0.00 0.11 -0.18 -1.22 -1.65 0.00 0.00 177.43 174.49 1hq4 n TYR 32 N -3.19 2.97 -3.90 1.19 4.01 -0.05 -3.94 117.16 114.25 1hq4 n TYR 32 Ca 0.01 -2.56 -0.30 0.00 -0.16 0.00 0.00 57.90 54.89 1hq4 n TYR 32 Cb 0.44 -0.72 -0.15 0.00 -0.31 0.00 0.00 39.34 38.60 1hq4 n TYR 32 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1hq4 s VAL 33 N -4.77 1.59 0.34 -0.72 1.01 -1.24 -1.66 120.40 114.95 1hq4 s VAL 33 Ca 0.55 -1.70 0.07 0.00 0.00 0.00 0.00 61.98 60.90 1hq4 s VAL 33 Cb 0.44 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1hq4 s VAL 33 CO -0.01 -0.48 0.43 -0.31 0.00 0.00 0.00 175.10 174.72 1hq4 s TYR 34 N 1.29 3.04 -0.04 5.22 1.51 -0.37 -0.99 117.35 127.01 1hq4 s TYR 34 Ca 0.06 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1hq4 s TYR 34 Cb -0.18 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1hq4 s TYR 34 CO -0.13 0.02 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.66 1hq4 s TRP 35 N -2.22 0.96 0.09 2.71 0.52 0.14 -0.36 118.94 120.77 1hq4 s TRP 35 Ca 0.44 -0.27 0.09 0.00 0.02 0.00 0.00 56.10 56.39 1hq4 s TRP 35 Cb -0.08 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.47 1hq4 s TRP 35 CO 0.30 -0.16 -0.25 0.71 0.02 0.00 0.00 176.95 177.57 1hq4 s TYR 36 N 0.50 2.15 -0.09 -1.98 1.51 0.38 0.42 117.35 120.24 1hq4 s TYR 36 Ca -0.08 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1hq4 s TYR 36 Cb -0.12 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1hq4 s TYR 36 CO 0.01 0.22 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.35 1hq4 s GLN 37 N -1.65 2.95 -0.12 -0.62 0.74 -0.74 -1.45 119.66 118.77 1hq4 s GLN 37 Ca 0.11 -0.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 1hq4 s GLN 37 Cb -0.10 -2.41 0.03 0.00 1.10 0.00 0.00 33.01 31.63 1hq4 s GLN 37 CO 0.04 0.33 -0.05 -1.14 -0.55 0.00 0.00 175.29 173.92 1hq4 s GLN 38 N 0.01 1.33 0.15 1.67 0.74 -0.02 -1.73 119.66 121.80 1hq4 s GLN 38 Ca -0.06 -0.27 -0.10 0.00 0.05 0.00 0.00 55.36 54.98 1hq4 s GLN 38 Cb -0.15 -1.61 -0.06 0.00 1.10 0.00 0.00 33.01 32.29 1hq4 s GLN 38 CO 0.05 -0.33 0.48 0.21 -0.55 0.00 0.00 175.29 175.15 1hq4 s LYS 39 N 1.74 3.82 0.17 1.67 2.47 -1.26 -1.71 119.74 126.64 1hq4 s LYS 39 Ca 0.04 0.26 -0.33 0.00 -1.56 0.00 0.00 55.97 54.38 1hq4 s LYS 39 Cb -0.13 -2.87 -0.16 0.00 -1.46 0.00 0.00 37.83 33.21 1hq4 s LYS 39 CO -0.08 0.46 1.18 -2.30 0.16 0.00 0.00 175.35 174.77 1hq4 n PRO 40 N 0.50 1.20 -1.41 4.03 -0.02 -1.26 -1.83 135.00 136.21 1hq4 n PRO 40 Ca -0.04 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1hq4 n PRO 40 Cb 0.52 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1hq4 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hq4 n GLY 41 N 2.04 1.38 3.13 -1.23 0.00 -1.26 -4.99 105.19 104.26 1hq4 n GLY 41 Ca 0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1hq4 n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hq4 s SER 42 N -2.85 0.94 0.53 1.61 0.01 -0.76 -5.16 113.70 108.03 1hq4 s SER 42 Ca 0.00 -0.93 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 1hq4 s SER 42 Cb 0.00 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 1hq4 s SER 42 CO 0.00 -0.45 0.87 -0.94 0.41 0.00 0.00 173.24 173.13 1hq4 s SER 43 N -2.77 6.20 0.80 2.44 1.04 -1.26 -4.53 113.70 115.61 1hq4 s SER 43 Ca 0.07 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.43 1hq4 s SER 43 Cb 0.03 -2.27 0.08 0.00 0.10 0.00 0.00 66.02 63.96 1hq4 s SER 43 CO -0.05 -0.71 1.22 -2.65 0.98 0.00 0.00 173.24 172.03 1hq4 n PRO 44 N -2.44 0.25 -4.07 4.02 -0.02 -1.26 -4.66 135.00 126.83 1hq4 n PRO 44 Ca 0.02 0.16 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 1hq4 n PRO 44 Cb 0.55 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.45 1hq4 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hq4 s LYS 45 N -4.06 0.37 0.15 -0.52 2.20 -0.71 -4.96 119.74 112.21 1hq4 s LYS 45 Ca 0.74 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.69 1hq4 s LYS 45 Cb -0.30 -0.26 -0.09 0.00 -1.51 0.00 0.00 37.83 35.67 1hq4 s LYS 45 CO 0.50 0.06 1.51 0.54 -0.36 0.00 0.00 175.35 177.60 1hq4 s VAL 46 N -0.57 2.83 -0.09 4.02 0.11 -1.26 -1.78 120.40 123.65 1hq4 s VAL 46 Ca -0.03 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1hq4 s VAL 46 Cb -0.05 -3.39 -0.06 0.00 -1.53 0.00 0.00 36.38 31.36 1hq4 s VAL 46 CO -0.00 0.05 -0.09 1.87 -3.33 0.00 0.00 175.10 173.60 1hq4 n TRP 47 N 3.93 0.00 -3.71 1.54 -0.00 0.17 -4.80 117.44 114.58 1hq4 n TRP 47 Ca 0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.49 1hq4 n TRP 47 Cb 0.40 -0.36 -0.14 0.00 -0.00 0.00 0.00 31.31 31.21 1hq4 n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1hq4 s ILE 48 N -2.19 -0.16 0.13 5.87 1.01 -0.65 -2.35 121.20 122.86 1hq4 s ILE 48 Ca -0.13 0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1hq4 s ILE 48 Cb 0.03 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 1hq4 s ILE 48 CO 0.21 0.09 -0.05 -0.72 0.00 0.00 0.00 174.94 174.47 1hq4 s TYR 49 N 1.68 2.81 -1.12 3.97 -0.85 -0.54 0.27 117.35 123.56 1hq4 s TYR 49 Ca -0.05 -0.13 -0.21 0.00 -0.52 0.00 0.00 57.07 56.16 1hq4 s TYR 49 Cb -0.11 -1.42 -0.01 0.00 0.38 0.00 0.00 41.96 40.80 1hq4 s TYR 49 CO -0.08 0.47 0.78 0.43 -1.52 0.00 0.00 175.55 175.64 1hq4 n SER 50 N 0.38 -5.34 0.00 -0.18 7.64 -1.17 -1.28 113.62 113.67 1hq4 n SER 50 Ca -0.12 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1hq4 n SER 50 Cb 0.53 -3.27 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 1hq4 n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1hq4 n THR 51 N -4.11 0.00 -1.75 0.44 -1.04 -0.16 -3.85 114.28 103.80 1hq4 n THR 51 Ca -0.10 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1hq4 n THR 51 Cb 0.59 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.15 1hq4 n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1hq4 n SER 52 N 0.00 0.86 -4.41 8.00 3.41 -1.22 -2.85 113.62 117.40 1hq4 n SER 52 Ca 0.00 -2.41 -0.36 0.00 -0.26 0.00 0.00 58.87 55.84 1hq4 n SER 52 Cb 0.00 -0.29 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 1hq4 n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1hq4 s ASN 53 N -1.74 5.04 0.50 4.04 0.01 -0.40 -4.58 114.94 117.79 1hq4 s ASN 53 Ca 0.14 -0.31 -0.23 0.00 -0.71 0.00 0.00 52.86 51.75 1hq4 s ASN 53 Cb 0.13 -1.90 -0.06 0.00 0.41 0.00 0.00 41.25 39.83 1hq4 s ASN 53 CO -0.01 -0.06 1.34 -0.76 -1.51 0.00 0.00 177.10 176.10 1hq4 s LEU 54 N 1.58 3.98 0.00 0.60 1.43 -1.26 -1.47 118.68 123.54 1hq4 s LEU 54 Ca 0.06 2.72 -0.01 0.00 -1.03 0.00 0.00 54.13 55.87 1hq4 s LEU 54 Cb -0.15 -4.15 0.08 0.00 0.03 0.00 0.00 46.19 42.00 1hq4 s LEU 54 CO 0.03 -1.31 0.51 0.00 0.23 0.00 0.00 176.35 175.82 1hq4 n ALA 55 N -0.63 -0.01 -2.36 4.21 0.00 -0.99 -4.83 120.51 115.90 1hq4 n ALA 55 Ca 0.08 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1hq4 n ALA 55 Cb 0.44 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1hq4 n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hq4 s SER 56 N -3.06 6.98 0.00 0.00 0.15 -1.26 -3.18 113.70 113.33 1hq4 s SER 56 Ca 0.33 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1hq4 s SER 56 Cb -0.02 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1hq4 s SER 56 CO 0.22 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1hq4 n GLY 57 N 3.42 2.64 3.70 9.45 0.00 -1.26 -5.03 105.19 118.12 1hq4 n GLY 57 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1hq4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hq4 s VAL 58 N -2.26 3.53 0.51 1.61 1.01 -1.19 -4.99 120.40 118.63 1hq4 s VAL 58 Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.77 1hq4 s VAL 58 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1hq4 s VAL 58 CO 0.00 0.03 1.37 -2.84 0.00 0.00 0.00 175.10 173.66 1hq4 s PRO 59 N 1.86 3.35 0.61 2.72 0.02 -1.26 -4.87 135.00 137.43 1hq4 s PRO 59 Ca 0.65 2.26 0.31 0.00 0.02 0.00 0.00 61.00 64.23 1hq4 s PRO 59 Cb -0.34 -2.39 1.71 0.00 0.02 0.00 0.00 34.50 33.50 1hq4 s PRO 59 CO 0.28 -1.03 2.07 0.00 -0.33 0.00 0.00 177.00 177.99 1hq4 h ALA 60 N 1.77 1.68 0.00 -1.55 0.00 -2.00 -2.40 119.26 116.76 1hq4 h ALA 60 Ca -0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1hq4 h ALA 60 Cb 1.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1hq4 h ALA 60 CO 0.59 -0.33 -0.05 0.07 0.00 0.00 0.00 179.25 179.53 1hq4 h ARG 61 N 0.00 0.00 -7.16 0.00 0.11 -1.96 -3.43 114.38 101.94 1hq4 h ARG 61 Ca 0.08 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.70 1hq4 h ARG 61 Cb 0.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.65 1hq4 h ARG 61 CO -0.00 0.05 0.37 -0.06 0.10 0.00 0.00 179.97 180.42 1hq4 s PHE 62 N -3.89 3.40 -0.28 4.08 0.40 -0.91 -1.94 117.98 118.86 1hq4 s PHE 62 Ca -0.01 1.51 -0.24 0.00 -0.60 0.00 0.00 56.93 57.58 1hq4 s PHE 62 Cb 0.11 -2.81 0.10 0.00 0.51 0.00 0.00 43.02 40.93 1hq4 s PHE 62 CO 0.53 -0.32 0.91 0.45 0.70 0.00 0.00 175.22 177.49 1hq4 s SER 63 N -2.83 -0.57 0.39 1.36 0.15 -0.67 -4.99 113.70 106.55 1hq4 s SER 63 Ca 0.60 1.09 0.07 0.00 0.70 0.00 0.00 55.95 58.41 1hq4 s SER 63 Cb -0.10 1.11 -0.08 0.00 -1.71 0.00 0.00 66.02 65.25 1hq4 s SER 63 CO 0.27 -0.19 0.01 -0.83 1.20 0.00 0.00 173.24 173.70 1hq4 s GLY 64 N 0.36 2.41 -0.05 9.45 0.00 -1.26 -0.47 107.32 117.76 1hq4 s GLY 64 Ca 0.01 -2.25 -0.30 0.00 0.00 0.00 0.00 44.72 42.18 1hq4 s GLY 64 CO -0.04 -2.05 1.33 -1.35 0.00 0.00 0.00 173.10 170.99 1hq4 s SER 65 N -3.66 -0.00 0.00 1.64 1.04 -0.98 -4.52 113.70 107.21 1hq4 s SER 65 Ca 0.35 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1hq4 s SER 65 Cb 0.09 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1hq4 s SER 65 CO 0.17 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1hq4 n GLY 66 N -0.84 3.20 3.65 7.32 0.00 -1.26 -1.47 105.19 115.79 1hq4 n GLY 66 Ca 0.02 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 1hq4 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hq4 s SER 67 N 0.00 -0.23 1.23 1.61 0.15 -0.27 -4.92 113.70 111.28 1hq4 s SER 67 Ca 0.00 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1hq4 s SER 67 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1hq4 s SER 67 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1hq4 n GLY 68 N -0.38 1.40 0.08 9.45 0.00 -1.26 -2.39 105.19 112.09 1hq4 n GLY 68 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1hq4 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hq4 n THR 69 N 0.00 0.71 -4.00 2.61 5.66 -1.26 -2.42 114.28 115.58 1hq4 n THR 69 Ca 0.00 -0.85 -0.24 0.00 -3.05 0.00 0.00 64.05 59.90 1hq4 n THR 69 Cb 0.00 0.65 -0.17 0.00 -1.55 0.00 0.00 70.33 69.26 1hq4 n THR 69 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1hq4 s SER 70 N -0.75 1.79 0.13 1.09 0.01 -1.01 -1.77 113.70 113.20 1hq4 s SER 70 Ca 0.03 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.13 1hq4 s SER 70 Cb 0.02 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1hq4 s SER 70 CO 0.02 -0.11 -0.15 -0.31 0.41 0.00 0.00 173.24 173.10 1hq4 s TYR 71 N 1.52 1.50 -0.10 2.43 1.51 -0.49 -1.11 117.35 122.61 1hq4 s TYR 71 Ca 0.00 -0.54 -0.21 0.00 -1.01 0.00 0.00 57.07 55.31 1hq4 s TYR 71 Cb -0.13 -0.77 0.05 0.00 -0.11 0.00 0.00 41.96 40.99 1hq4 s TYR 71 CO -0.05 0.19 0.51 -1.54 -1.11 0.00 0.00 175.55 173.55 1hq4 s SER 72 N -2.52 -0.47 0.02 2.29 1.04 -0.55 -0.80 113.70 112.71 1hq4 s SER 72 Ca 0.11 0.66 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1hq4 s SER 72 Cb -0.05 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1hq4 s SER 72 CO 0.04 -0.39 -0.01 -0.22 0.98 0.00 0.00 173.24 173.63 1hq4 s LEU 73 N -0.66 3.45 -0.00 2.42 0.20 -0.57 -2.32 118.68 121.19 1hq4 s LEU 73 Ca -0.08 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.68 1hq4 s LEU 73 Cb -0.03 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.70 1hq4 s LEU 73 CO 0.05 0.25 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.44 1hq4 s THR 74 N -1.13 0.24 -0.15 3.68 2.01 0.38 0.01 115.64 120.67 1hq4 s THR 74 Ca 0.21 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 1hq4 s THR 74 Cb -0.11 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1hq4 s THR 74 CO 0.12 0.07 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.38 1hq4 s ILE 75 N -0.06 3.15 0.00 1.82 1.01 0.36 -1.66 121.20 125.82 1hq4 s ILE 75 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1hq4 s ILE 75 Cb -0.01 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1hq4 s ILE 75 CO -0.00 0.50 0.89 -1.20 0.00 0.00 0.00 174.94 175.14 1hq4 n SER 76 N 3.79 0.00 -3.88 3.58 7.64 -0.82 -2.18 113.62 121.74 1hq4 n SER 76 Ca -0.18 0.89 -0.27 0.00 1.01 0.00 0.00 58.87 60.32 1hq4 n SER 76 Cb 0.52 -0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.16 1hq4 n SER 76 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hq4 s SER 77 N -2.13 2.49 0.65 6.43 1.04 -1.24 -3.15 113.70 117.79 1hq4 s SER 77 Ca 0.00 -0.49 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 1hq4 s SER 77 Cb 0.00 -0.84 -0.05 0.00 0.10 0.00 0.00 66.02 65.23 1hq4 s SER 77 CO 0.00 -0.16 0.63 0.80 0.98 0.00 0.00 173.24 175.49 1hq4 n MET 78 N 4.93 0.49 -4.11 4.02 1.56 0.99 -4.58 117.12 120.41 1hq4 n MET 78 Ca -0.12 0.20 -0.08 0.00 -0.27 0.00 0.00 57.70 57.44 1hq4 n MET 78 Cb 0.49 -1.87 -0.10 0.00 2.15 0.00 0.00 33.22 33.89 1hq4 n MET 78 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1hq4 s GLU 79 N -2.57 0.74 0.13 2.12 0.41 -1.26 -1.84 118.70 116.43 1hq4 s GLU 79 Ca 0.69 -1.31 -0.24 0.00 -0.41 0.00 0.00 54.97 53.70 1hq4 s GLU 79 Cb -0.39 0.22 -0.03 0.00 -1.78 0.00 0.00 34.13 32.15 1hq4 s GLU 79 CO 0.54 -0.17 1.65 0.00 -0.49 0.00 0.00 175.26 176.79 1hq4 h ALA 80 N 3.03 -0.22 0.00 5.21 0.00 -1.98 -2.16 119.26 123.14 1hq4 h ALA 80 Ca -0.34 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1hq4 h ALA 80 Cb 1.16 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1hq4 h ALA 80 CO 0.63 -0.69 0.00 1.05 0.00 0.00 0.00 179.25 180.24 1hq4 h GLU 81 N -0.30 0.00 0.00 0.00 4.11 -1.97 -2.34 114.58 114.08 1hq4 h GLU 81 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1hq4 h GLU 81 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1hq4 h GLU 81 CO -0.25 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.58 1hq4 n ASP 82 N -2.66 0.00 -4.61 3.06 9.92 -0.81 -4.68 116.55 116.77 1hq4 n ASP 82 Ca -0.01 -1.03 -0.43 0.00 -0.53 0.00 0.00 54.79 52.79 1hq4 n ASP 82 Cb 0.14 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 1hq4 n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hq4 s ALA 83 N -2.00 3.31 -0.06 2.24 0.00 -0.88 -4.88 121.76 119.49 1hq4 s ALA 83 Ca 0.29 -0.33 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 1hq4 s ALA 83 Cb 0.13 -3.77 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1hq4 s ALA 83 CO 0.22 -1.89 1.02 0.00 0.00 0.00 0.00 175.76 175.11 1hq4 n ALA 84 N 7.34 -2.93 -2.57 0.00 0.00 -1.17 -4.94 120.51 116.23 1hq4 n ALA 84 Ca 0.11 -0.56 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 1hq4 n ALA 84 Cb 0.48 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1hq4 n ALA 84 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hq4 s SER 85 N -3.23 6.64 -0.12 0.00 0.01 -0.69 -1.93 113.70 114.38 1hq4 s SER 85 Ca 0.24 0.80 -0.00 0.00 1.31 0.00 0.00 55.95 58.29 1hq4 s SER 85 Cb -0.00 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.08 1hq4 s SER 85 CO -0.02 0.18 -0.07 -0.31 0.41 0.00 0.00 173.24 173.43 1hq4 s TYR 86 N -1.39 1.51 0.16 2.43 1.51 -0.02 -0.84 117.35 120.72 1hq4 s TYR 86 Ca 0.33 -0.80 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1hq4 s TYR 86 Cb -0.14 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1hq4 s TYR 86 CO 0.18 -0.53 -0.09 -0.06 -1.11 0.00 0.00 175.55 173.93 1hq4 s PHE 87 N 1.70 2.66 0.05 2.71 0.40 -0.53 -1.65 117.98 123.32 1hq4 s PHE 87 Ca 0.04 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1hq4 s PHE 87 Cb -0.13 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1hq4 s PHE 87 CO -0.08 0.49 -0.18 0.00 0.70 0.00 0.00 175.22 176.15 1hq4 s LEU 89 N -1.50 2.20 -0.09 0.00 2.96 0.51 -1.40 118.68 121.37 1hq4 s LEU 89 Ca 0.15 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1hq4 s LEU 89 Cb -0.10 -0.75 0.02 0.00 0.50 0.00 0.00 46.19 45.85 1hq4 s LEU 89 CO 0.06 0.06 -0.08 0.00 -1.32 0.00 0.00 176.35 175.07 1hq4 s GLN 90 N -1.34 1.39 -0.41 1.98 1.03 -0.90 -1.23 119.66 120.17 1hq4 s GLN 90 Ca 0.04 -0.24 0.10 0.00 0.04 0.00 0.00 55.36 55.30 1hq4 s GLN 90 Cb -0.09 -1.39 0.42 0.00 0.03 0.00 0.00 33.01 31.98 1hq4 s GLN 90 CO 0.02 -0.18 1.00 -2.67 -2.54 0.00 0.00 175.29 170.93 1hq4 n TRP 91 N 4.58 2.47 0.32 9.60 4.27 -0.67 -2.71 117.44 135.31 1hq4 n TRP 91 Ca -0.16 -3.19 0.06 0.00 -3.89 0.00 0.00 57.50 50.32 1hq4 n TRP 91 Cb 0.51 -0.26 0.08 0.00 -1.36 0.00 0.00 31.31 30.27 1hq4 n TRP 91 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1hq4 n SER 92 N -0.24 2.26 -3.64 -0.67 2.88 -1.26 -4.90 113.62 108.04 1hq4 n SER 92 Ca 0.27 -1.63 -0.09 0.00 -1.33 0.00 0.00 58.87 56.09 1hq4 n SER 92 Cb 0.68 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 1hq4 n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1hq4 s SER 93 N -1.00 -0.71 0.12 -3.46 0.01 -1.26 -4.89 113.70 102.51 1hq4 s SER 93 Ca 0.17 1.25 -0.27 0.00 1.31 0.00 0.00 55.95 58.41 1hq4 s SER 93 Cb 0.11 1.28 -0.07 0.00 0.21 0.00 0.00 66.02 67.55 1hq4 s SER 93 CO 0.16 -0.21 0.83 -0.36 0.41 0.00 0.00 173.24 174.07 1hq4 s PHE 94 N 0.88 3.84 0.66 2.43 0.08 -1.26 -3.64 117.98 120.97 1hq4 s PHE 94 Ca -0.04 1.65 -0.06 0.00 0.12 0.00 0.00 56.93 58.60 1hq4 s PHE 94 Cb -0.05 -2.87 0.04 0.00 -0.57 0.00 0.00 43.02 39.57 1hq4 s PHE 94 CO -0.09 0.37 0.97 -1.25 -0.10 0.00 0.00 175.22 175.11 1hq4 s PRO 95 N -0.56 2.51 0.13 0.24 0.04 -1.26 -3.57 135.00 132.52 1hq4 s PRO 95 Ca 0.39 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 1hq4 s PRO 95 Cb -0.23 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 1hq4 s PRO 95 CO 0.27 -1.02 1.15 0.71 0.04 0.00 0.00 177.00 178.15 1hq4 s TYR 96 N -3.14 3.51 -0.01 0.56 2.02 -1.24 -2.93 117.35 116.12 1hq4 s TYR 96 Ca 0.58 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.78 1hq4 s TYR 96 Cb -0.11 -3.35 -0.01 0.00 -0.40 0.00 0.00 41.96 38.10 1hq4 s TYR 96 CO 0.45 -0.93 -0.12 0.95 -1.57 0.00 0.00 175.55 174.34 1hq4 s THR 97 N 0.32 0.92 0.64 -0.71 -4.23 -1.10 -4.97 115.64 106.51 1hq4 s THR 97 Ca 0.53 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1hq4 s THR 97 Cb -0.30 -0.77 0.09 0.00 1.34 0.00 0.00 72.50 72.87 1hq4 s THR 97 CO 0.33 0.26 0.89 -0.36 -0.54 0.00 0.00 174.62 175.20 1hq4 s PHE 98 N -0.22 1.85 0.34 3.99 0.40 -1.26 -2.13 117.98 120.95 1hq4 s PHE 98 Ca 0.04 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1hq4 s PHE 98 Cb -0.05 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.70 1hq4 s PHE 98 CO -0.00 -1.37 0.28 0.20 0.70 0.00 0.00 175.22 175.03 1hq4 s GLY 99 N -4.64 1.82 0.52 4.36 0.00 -0.49 -4.27 107.32 104.61 1hq4 s GLY 99 Ca 0.63 -1.69 0.17 0.00 0.00 0.00 0.00 44.72 43.83 1hq4 s GLY 99 CO 0.41 -1.61 2.12 -1.33 0.00 0.00 0.00 173.10 172.70 1hq4 h GLY 100 N 1.28 0.02 0.00 0.20 0.00 -1.92 -3.43 103.07 99.23 1hq4 h GLY 100 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1hq4 h GLY 100 CO 0.59 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.75 1hq4 n GLY 101 N -1.55 2.40 2.81 4.60 0.00 -1.26 -5.01 105.19 107.18 1hq4 n GLY 101 Ca -0.01 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1hq4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hq4 s THR 102 N -2.95 0.38 0.02 2.61 2.01 -0.66 -4.62 115.64 112.43 1hq4 s THR 102 Ca 0.00 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1hq4 s THR 102 Cb 0.00 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1hq4 s THR 102 CO 0.00 0.23 0.32 -0.75 -0.69 0.00 0.00 174.62 173.74 1hq4 s LYS 103 N 1.57 3.69 -0.14 4.92 2.20 -0.69 -0.84 119.74 130.45 1hq4 s LYS 103 Ca -0.01 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 1hq4 s LYS 103 Cb -0.13 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.13 1hq4 s LYS 103 CO -0.03 0.64 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.98 1hq4 s LEU 104 N -1.61 1.55 -0.03 5.43 1.43 -0.81 -2.57 118.68 122.07 1hq4 s LEU 104 Ca 0.27 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1hq4 s LEU 104 Cb -0.14 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1hq4 s LEU 104 CO 0.15 -0.10 0.08 -1.61 0.23 0.00 0.00 176.35 175.11 1hq4 s GLU 105 N 1.57 3.13 -0.43 1.70 2.02 -0.14 -3.07 118.70 123.48 1hq4 s GLU 105 Ca 0.04 -0.42 -0.22 0.00 0.02 0.00 0.00 54.97 54.39 1hq4 s GLU 105 Cb -0.13 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 31.21 1hq4 s GLU 105 CO -0.09 0.67 0.72 -1.17 0.02 0.00 0.00 175.26 175.40 1hq4 s LEU 106 N -1.55 4.34 0.37 1.80 1.98 -1.26 -1.26 118.68 123.09 1hq4 s LEU 106 Ca 0.21 -0.14 -0.28 0.00 -2.89 0.00 0.00 54.13 51.03 1hq4 s LEU 106 Cb -0.12 -2.86 -0.11 0.00 0.66 0.00 0.00 46.19 43.77 1hq4 s LEU 106 CO 0.11 -0.82 1.42 -0.54 -1.89 0.00 0.00 176.35 174.64 1hq4 s LYS 107 N 3.04 4.17 0.29 1.98 1.02 -0.23 -4.91 119.74 125.10 1hq4 s LYS 107 Ca 0.27 2.44 0.04 0.00 0.02 0.00 0.00 55.97 58.73 1hq4 s LYS 107 Cb -0.13 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1hq4 s LYS 107 CO 0.20 -0.43 0.31 2.89 -0.92 0.00 0.00 175.35 177.40 1hq4 n ARG 108 N 0.53 0.45 -2.28 1.68 -4.01 -1.26 -4.53 116.66 107.23 1hq4 n ARG 108 Ca 0.01 -2.73 -0.40 0.00 -1.04 0.00 0.00 57.85 53.69 1hq4 n ARG 108 Cb 0.40 2.37 -0.03 0.00 -3.04 0.00 0.00 32.46 32.16 1hq4 n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1hq4 s ALA 109 N -2.98 3.38 0.58 2.89 0.00 -1.26 -4.96 121.76 119.42 1hq4 s ALA 109 Ca 0.31 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 1hq4 s ALA 109 Cb 0.01 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1hq4 s ALA 109 CO 0.22 -0.45 0.87 -0.25 0.00 0.00 0.00 175.76 176.15 1hq4 n ASP 110 N 0.75 0.39 -3.72 0.00 10.43 -1.26 -4.83 116.55 118.30 1hq4 n ASP 110 Ca 0.01 0.81 -0.13 0.00 2.57 0.00 0.00 54.79 58.04 1hq4 n ASP 110 Cb 0.44 -1.34 -0.10 0.00 1.84 0.00 0.00 41.12 41.96 1hq4 n ASP 110 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1hq4 s VAL 111 N -1.54 -0.00 0.13 2.53 0.11 -0.22 -4.95 120.40 116.46 1hq4 s VAL 111 Ca 0.73 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.62 1hq4 s VAL 111 Cb -0.43 -0.59 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1hq4 s VAL 111 CO 0.49 0.01 0.60 0.00 -3.33 0.00 0.00 175.10 172.87 1hq4 s ALA 112 N 0.39 3.54 0.56 1.54 0.00 -1.26 -2.56 121.76 123.97 1hq4 s ALA 112 Ca -0.01 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1hq4 s ALA 112 Cb -0.04 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1hq4 s ALA 112 CO -0.01 0.40 1.15 -1.25 0.00 0.00 0.00 175.76 176.05 1hq4 s PRO 113 N -1.59 3.24 -0.36 0.00 0.04 -1.26 -4.71 135.00 130.36 1hq4 s PRO 113 Ca 0.35 1.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 1hq4 s PRO 113 Cb -0.17 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1hq4 s PRO 113 CO 0.20 -0.96 0.15 0.99 0.04 0.00 0.00 177.00 177.43 1hq4 s THR 114 N -1.72 4.06 -0.07 1.26 2.01 -0.86 -4.90 115.64 115.42 1hq4 s THR 114 Ca 0.74 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1hq4 s THR 114 Cb -0.26 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1hq4 s THR 114 CO 0.29 -0.24 0.27 -0.69 -0.69 0.00 0.00 174.62 173.55 1hq4 s VAL 115 N 1.44 5.28 0.05 3.82 1.01 -1.26 -1.83 120.40 128.92 1hq4 s VAL 115 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1hq4 s VAL 115 Cb -0.20 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1hq4 s VAL 115 CO 0.04 0.58 -0.12 -0.44 0.00 0.00 0.00 175.10 175.16 1hq4 s SER 116 N -0.92 1.36 0.09 3.32 0.01 -0.45 -4.98 113.70 112.14 1hq4 s SER 116 Ca 0.19 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.00 1hq4 s SER 116 Cb -0.14 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1hq4 s SER 116 CO 0.08 -0.07 -0.17 -0.51 0.41 0.00 0.00 173.24 172.98 1hq4 s ILE 117 N -1.10 1.41 -0.03 1.44 2.07 -1.26 -1.38 121.20 122.35 1hq4 s ILE 117 Ca -0.03 -1.46 -0.01 0.00 -1.41 0.00 0.00 60.65 57.74 1hq4 s ILE 117 Cb -0.09 -1.34 0.03 0.00 0.13 0.00 0.00 42.46 41.20 1hq4 s ILE 117 CO 0.01 -0.17 0.06 -0.36 -1.91 0.00 0.00 174.94 172.57 1hq4 s PHE 118 N -1.33 -0.02 0.80 3.50 0.40 0.16 -5.00 117.98 116.50 1hq4 s PHE 118 Ca 0.03 0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.47 1hq4 s PHE 118 Cb -0.09 -0.20 0.08 0.00 0.51 0.00 0.00 43.02 43.31 1hq4 s PHE 118 CO 0.03 -0.11 1.16 -1.25 0.70 0.00 0.00 175.22 175.75 1hq4 s PRO 119 N 1.13 2.01 1.31 0.24 0.04 -1.26 -2.27 135.00 136.20 1hq4 s PRO 119 Ca -0.09 0.20 -0.18 0.00 0.04 0.00 0.00 61.00 60.97 1hq4 s PRO 119 Cb -0.13 -1.95 0.32 0.00 0.04 0.00 0.00 34.50 32.79 1hq4 s PRO 119 CO -0.04 -1.58 0.85 -2.30 0.04 0.00 0.00 177.00 173.97 1hq4 n PRO 120 N -3.32 -3.53 -4.05 0.56 -0.02 -1.20 -4.82 135.00 118.62 1hq4 n PRO 120 Ca 0.08 -1.03 -0.22 0.00 -2.02 0.00 0.00 63.50 60.31 1hq4 n PRO 120 Cb 0.60 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1hq4 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hq4 s SER 121 N -2.61 4.95 0.14 2.55 1.04 -1.26 -5.02 113.70 113.48 1hq4 s SER 121 Ca 0.66 -0.61 -0.19 0.00 0.48 0.00 0.00 55.95 56.29 1hq4 s SER 121 Cb -0.18 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1hq4 s SER 121 CO 0.61 -0.24 1.71 0.28 0.98 0.00 0.00 173.24 176.57 1hq4 h SER 122 N 1.50 -0.16 -0.28 7.02 0.02 -2.00 -2.72 113.55 116.93 1hq4 h SER 122 Ca -0.45 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1hq4 h SER 122 Cb 1.25 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.84 1hq4 h SER 122 CO 0.61 -0.05 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.72 1hq4 h GLU 123 N 0.04 -0.17 -0.15 3.45 5.08 -1.98 0.13 114.58 120.97 1hq4 h GLU 123 Ca 0.12 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1hq4 h GLU 123 Cb 0.17 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1hq4 h GLU 123 CO -0.22 -0.11 -0.16 0.37 -1.00 0.00 0.00 179.01 177.88 1hq4 h GLN 124 N -0.18 0.24 -0.22 2.33 4.15 -1.83 -2.44 115.11 117.16 1hq4 h GLN 124 Ca 0.15 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1hq4 h GLN 124 Cb 0.41 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1hq4 h GLN 124 CO -0.39 0.40 0.06 -0.07 -1.93 0.00 0.00 178.83 176.91 1hq4 h LEU 125 N 0.22 0.33 -1.24 -2.39 4.07 -1.00 -1.89 115.31 113.41 1hq4 h LEU 125 Ca 0.04 -0.22 0.17 0.00 0.08 0.00 0.00 57.88 57.96 1hq4 h LEU 125 Cb 0.42 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.99 1hq4 h LEU 125 CO 0.03 0.46 0.60 0.74 -1.08 0.00 0.00 178.44 179.19 1hq4 h THR 126 N 0.18 0.76 0.00 0.22 2.02 -0.54 0.84 112.91 116.39 1hq4 h THR 126 Ca 0.07 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1hq4 h THR 126 Cb 0.25 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1hq4 h THR 126 CO -0.00 0.12 0.00 -0.24 0.37 0.00 0.00 175.52 175.77 1hq4 n SER 127 N -4.61 0.00 0.00 4.18 2.88 -0.93 -4.86 113.62 110.29 1hq4 n SER 127 Ca 0.20 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1hq4 n SER 127 Cb 0.56 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1hq4 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hq4 n GLY 128 N 0.19 0.63 3.12 0.46 0.00 0.29 -5.06 105.19 104.81 1hq4 n GLY 128 Ca 0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1hq4 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hq4 s GLY 129 N -2.81 0.62 -0.02 -0.02 0.00 -0.76 -3.06 107.32 101.28 1hq4 s GLY 129 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 1hq4 s GLY 129 CO 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 173.10 171.88 1hq4 s ALA 130 N -3.12 0.07 -0.11 3.20 0.00 0.30 -2.85 121.76 119.25 1hq4 s ALA 130 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1hq4 s ALA 130 Cb 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1hq4 s ALA 130 CO -0.05 -0.14 -0.13 -1.12 0.00 0.00 0.00 175.76 174.32 1hq4 s SER 131 N 1.17 2.27 -0.23 0.00 0.01 -1.26 0.34 113.70 116.02 1hq4 s SER 131 Ca -0.08 -0.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.73 1hq4 s SER 131 Cb -0.13 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.08 1hq4 s SER 131 CO -0.03 -0.02 0.08 -0.69 0.41 0.00 0.00 173.24 172.98 1hq4 s VAL 132 N 1.17 4.56 -0.10 3.43 1.01 0.21 -3.23 120.40 127.46 1hq4 s VAL 132 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1hq4 s VAL 132 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1hq4 s VAL 132 CO -0.03 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1hq4 s VAL 133 N 1.18 3.40 -0.09 2.92 1.01 -0.96 -0.69 120.40 127.17 1hq4 s VAL 133 Ca 0.05 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1hq4 s VAL 133 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1hq4 s VAL 133 CO 0.04 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.59 1hq4 s PHE 135 N 1.16 3.20 -0.34 0.00 0.08 -0.48 -0.08 117.98 121.53 1hq4 s PHE 135 Ca -0.05 0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.10 1hq4 s PHE 135 Cb -0.14 -1.95 0.10 0.00 -0.57 0.00 0.00 43.02 40.45 1hq4 s PHE 135 CO -0.02 0.25 0.05 -0.51 -0.10 0.00 0.00 175.22 174.88 1hq4 s LEU 136 N -0.11 4.70 0.02 -0.37 1.02 0.59 -1.34 118.68 123.20 1hq4 s LEU 136 Ca 0.05 -2.10 -0.03 0.00 0.02 0.00 0.00 54.13 52.07 1hq4 s LEU 136 Cb -0.12 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1hq4 s LEU 136 CO 0.02 -0.37 0.22 0.20 0.02 0.00 0.00 176.35 176.43 1hq4 s ASN 137 N 0.96 6.40 -1.08 2.29 0.01 -0.76 -0.11 114.94 122.65 1hq4 s ASN 137 Ca 0.09 0.39 -0.19 0.00 -0.71 0.00 0.00 52.86 52.45 1hq4 s ASN 137 Cb -0.19 -2.02 -0.00 0.00 0.41 0.00 0.00 41.25 39.45 1hq4 s ASN 137 CO -0.08 0.22 0.75 0.59 -1.51 0.00 0.00 177.10 177.08 1hq4 n ASN 138 N 0.77 -5.36 -4.56 -1.22 3.02 -0.45 -2.02 115.26 105.43 1hq4 n ASN 138 Ca -0.09 -0.97 -0.26 0.00 -0.03 0.00 0.00 54.58 53.23 1hq4 n ASN 138 Cb 0.52 -3.14 -0.11 0.00 -0.61 0.00 0.00 39.78 36.45 1hq4 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1hq4 s PHE 139 N -3.38 2.38 -0.29 3.10 -0.71 -0.31 -4.56 117.98 114.22 1hq4 s PHE 139 Ca 0.39 -0.64 -0.23 0.00 -1.04 0.00 0.00 56.93 55.42 1hq4 s PHE 139 Cb -0.15 -1.54 0.14 0.00 -1.21 0.00 0.00 43.02 40.26 1hq4 s PHE 139 CO 0.87 0.45 1.08 -0.47 -1.34 0.00 0.00 175.22 175.81 1hq4 s TYR 140 N -2.75 -0.43 1.38 3.49 6.14 -1.06 -0.70 117.35 123.42 1hq4 s TYR 140 Ca 0.34 0.99 -0.22 0.00 0.64 0.00 0.00 57.07 58.82 1hq4 s TYR 140 Cb 0.07 0.37 0.34 0.00 0.42 0.00 0.00 41.96 43.15 1hq4 s TYR 140 CO 0.17 -0.21 0.78 -2.30 0.64 0.00 0.00 175.55 174.63 1hq4 n PRO 141 N 2.52 -4.29 0.07 4.97 -0.02 -1.26 -1.05 135.00 135.93 1hq4 n PRO 141 Ca -0.14 -1.27 -0.04 0.00 -2.02 0.00 0.00 63.50 60.03 1hq4 n PRO 141 Cb 0.56 -1.84 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 1hq4 n PRO 141 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1hq4 h LYS 142 N -3.44 0.00 -6.27 -0.52 3.64 -1.99 -3.45 116.57 104.54 1hq4 h LYS 142 Ca -0.37 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.46 1hq4 h LYS 142 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1hq4 h LYS 142 CO 0.23 0.72 1.05 0.16 -2.27 0.00 0.00 179.45 179.34 1hq4 s ASP 143 N -6.46 6.70 -0.11 4.20 3.84 -1.26 -4.96 116.67 118.62 1hq4 s ASP 143 Ca 0.01 2.19 -0.25 0.00 -0.00 0.00 0.00 52.55 54.49 1hq4 s ASP 143 Cb 0.09 -2.54 0.06 0.00 -1.38 0.00 0.00 42.92 39.15 1hq4 s ASP 143 CO 0.80 -0.90 0.60 -0.51 -0.00 0.00 0.00 175.17 175.16 1hq4 s ILE 144 N 3.84 0.01 0.03 2.11 2.07 -1.26 -4.69 121.20 123.30 1hq4 s ILE 144 Ca 0.71 -0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.92 1hq4 s ILE 144 Cb -0.32 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.35 1hq4 s ILE 144 CO 0.28 -0.04 -0.10 0.21 -1.91 0.00 0.00 174.94 173.38 1hq4 s ASN 145 N -0.65 4.41 -0.07 4.50 2.47 -0.98 -5.00 114.94 119.62 1hq4 s ASN 145 Ca -0.07 -0.25 0.01 0.00 0.42 0.00 0.00 52.86 52.96 1hq4 s ASN 145 Cb -0.02 -0.93 0.02 0.00 -1.45 0.00 0.00 41.25 38.86 1hq4 s ASN 145 CO 0.06 0.25 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.94 1hq4 s VAL 146 N -1.03 0.77 0.06 -5.21 1.01 -1.26 -1.47 120.40 113.28 1hq4 s VAL 146 Ca 0.18 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1hq4 s VAL 146 Cb -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1hq4 s VAL 146 CO 0.08 0.29 -0.25 -0.54 0.00 0.00 0.00 175.10 174.69 1hq4 s LYS 147 N 1.13 1.77 -0.06 2.72 1.02 0.25 -4.99 119.74 121.58 1hq4 s LYS 147 Ca -0.07 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.79 1hq4 s LYS 147 Cb -0.14 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1hq4 s LYS 147 CO -0.01 0.50 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.27 1hq4 s TRP 148 N -0.89 2.93 -0.06 3.18 0.52 -1.26 -0.74 118.94 122.62 1hq4 s TRP 148 Ca 0.13 0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.27 1hq4 s TRP 148 Cb -0.10 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1hq4 s TRP 148 CO 0.04 0.34 -0.06 0.15 0.02 0.00 0.00 176.95 177.44 1hq4 s LYS 149 N -0.91 1.04 -0.21 4.98 1.02 -0.56 -1.77 119.74 123.32 1hq4 s LYS 149 Ca 0.13 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 55.95 1hq4 s LYS 149 Cb -0.11 -1.05 -0.00 0.00 -0.52 0.00 0.00 37.83 36.15 1hq4 s LYS 149 CO 0.02 -0.12 -0.08 0.42 -0.92 0.00 0.00 175.35 174.68 1hq4 s ILE 150 N 1.12 3.10 -1.44 2.17 1.01 0.16 -0.76 121.20 126.56 1hq4 s ILE 150 Ca -0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1hq4 s ILE 150 Cb -0.14 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 39.97 1hq4 s ILE 150 CO -0.01 0.45 0.63 0.47 0.00 0.00 0.00 174.94 176.48 1hq4 n ASP 151 N 4.76 -1.65 0.00 3.58 10.43 0.10 -0.23 116.55 133.55 1hq4 n ASP 151 Ca -0.19 -0.92 0.00 0.00 2.57 0.00 0.00 54.79 56.26 1hq4 n ASP 151 Cb 0.51 -3.44 0.00 0.00 1.84 0.00 0.00 41.12 40.03 1hq4 n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1hq4 n GLY 152 N -1.75 1.05 3.81 0.44 0.00 -1.26 -4.97 105.19 102.52 1hq4 n GLY 152 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1hq4 n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hq4 s SER 153 N -2.78 6.49 -0.19 1.61 0.15 0.69 -4.99 113.70 114.67 1hq4 s SER 153 Ca 0.00 0.57 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 1hq4 s SER 153 Cb 0.00 -2.15 -0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1hq4 s SER 153 CO 0.00 0.28 1.10 -0.70 1.20 0.00 0.00 173.24 175.12 1hq4 s GLU 154 N -0.50 4.28 -0.16 5.44 2.12 -1.26 0.38 118.70 129.00 1hq4 s GLU 154 Ca 0.17 1.45 -0.01 0.00 0.36 0.00 0.00 54.97 56.94 1hq4 s GLU 154 Cb -0.13 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1hq4 s GLU 154 CO 0.06 -0.60 -0.11 0.50 -0.54 0.00 0.00 175.26 174.56 1hq4 s ARG 155 N 3.06 3.34 0.00 4.30 3.52 -0.73 -4.96 118.95 127.48 1hq4 s ARG 155 Ca 0.48 -0.69 0.05 0.00 -0.13 0.00 0.00 55.73 55.44 1hq4 s ARG 155 Cb -0.18 -2.73 -0.01 0.00 -1.56 0.00 0.00 34.95 30.48 1hq4 s ARG 155 CO 0.10 0.05 0.44 0.00 -0.81 0.00 0.00 175.30 175.08 1hq4 n GLN 156 N 4.00 2.63 -3.59 5.12 0.00 -1.26 -4.23 117.38 120.05 1hq4 n GLN 156 Ca -0.18 -0.41 -0.37 0.00 0.00 0.00 0.00 57.00 56.04 1hq4 n GLN 156 Cb 0.52 -0.92 -0.09 0.00 0.00 0.00 0.00 30.24 29.76 1hq4 n GLN 156 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1hq4 s ASN 157 N -0.97 6.23 0.00 2.61 0.02 -1.26 -4.21 114.94 117.36 1hq4 s ASN 157 Ca 0.04 0.26 0.00 0.00 -1.02 0.00 0.00 52.86 52.14 1hq4 s ASN 157 Cb 0.04 -2.14 0.00 0.00 0.02 0.00 0.00 41.25 39.17 1hq4 s ASN 157 CO 0.14 0.04 0.00 0.61 0.02 0.00 0.00 177.10 177.91 1hq4 n GLY 158 N 4.05 1.48 3.34 0.66 0.00 -1.26 -4.88 105.19 108.59 1hq4 n GLY 158 Ca -0.13 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1hq4 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hq4 s VAL 159 N -2.06 3.58 -0.36 1.61 1.01 -1.26 -1.86 120.40 121.08 1hq4 s VAL 159 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1hq4 s VAL 159 Cb 0.00 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1hq4 s VAL 159 CO 0.00 0.41 0.12 -0.22 0.00 0.00 0.00 175.10 175.41 1hq4 s LEU 160 N 1.48 4.54 0.05 3.92 2.96 0.10 -4.94 118.68 126.79 1hq4 s LEU 160 Ca 0.06 -1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 52.51 1hq4 s LEU 160 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1hq4 s LEU 160 CO -0.02 -0.39 0.21 0.20 -1.32 0.00 0.00 176.35 175.03 1hq4 s ASN 161 N 1.57 6.36 -0.19 3.68 0.01 -1.26 -1.83 114.94 123.28 1hq4 s ASN 161 Ca 0.00 0.29 -0.10 0.00 -0.71 0.00 0.00 52.86 52.34 1hq4 s ASN 161 Cb -0.21 -1.97 0.06 0.00 0.41 0.00 0.00 41.25 39.55 1hq4 s ASN 161 CO -0.00 0.19 0.46 -0.55 -1.51 0.00 0.00 177.10 175.69 1hq4 s SER 162 N -2.39 -0.59 0.15 -1.22 0.15 -0.88 -5.01 113.70 103.90 1hq4 s SER 162 Ca 0.33 1.02 0.05 0.00 0.70 0.00 0.00 55.95 58.05 1hq4 s SER 162 Cb -0.13 0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 1hq4 s SER 162 CO 0.26 -0.20 0.13 0.26 1.20 0.00 0.00 173.24 174.88 1hq4 s TRP 163 N 1.51 3.16 0.00 3.44 0.51 -1.26 -1.90 118.94 124.39 1hq4 s TRP 163 Ca -0.09 0.01 0.00 0.00 -2.12 0.00 0.00 56.10 53.89 1hq4 s TRP 163 Cb -0.08 -1.54 0.00 0.00 -0.81 0.00 0.00 33.47 31.04 1hq4 s TRP 163 CO -0.14 0.52 0.00 0.25 -0.51 0.00 0.00 176.95 177.07 1hq4 n THR 164 N -0.18 0.00 -3.55 2.01 -2.24 -0.70 -5.02 114.28 104.60 1hq4 n THR 164 Ca -0.08 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1hq4 n THR 164 Cb 0.54 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 1hq4 n THR 164 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hq4 s ASP 165 N -1.00 5.28 -0.09 3.42 1.01 -1.26 -4.78 116.67 119.25 1hq4 s ASP 165 Ca 0.00 -0.58 -0.33 0.00 0.71 0.00 0.00 52.55 52.35 1hq4 s ASP 165 Cb 0.00 -0.75 -0.11 0.00 1.01 0.00 0.00 42.92 43.07 1hq4 s ASP 165 CO 0.00 -0.56 1.94 1.67 0.21 0.00 0.00 175.17 178.43 1hq4 n GLN 166 N -1.55 2.25 -1.77 8.23 7.27 -1.26 -4.70 117.38 125.85 1hq4 n GLN 166 Ca 0.02 0.81 -0.41 0.00 0.07 0.00 0.00 57.00 57.49 1hq4 n GLN 166 Cb 0.60 -2.75 0.00 0.00 2.41 0.00 0.00 30.24 30.51 1hq4 n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1hq4 n ASP 167 N 7.35 3.64 0.10 1.69 -0.08 0.67 -4.86 116.55 125.06 1hq4 n ASP 167 Ca 0.24 1.21 0.13 0.00 -1.51 0.00 0.00 54.79 54.85 1hq4 n ASP 167 Cb 0.32 -1.61 0.35 0.00 2.34 0.00 0.00 41.12 42.53 1hq4 n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1hq4 n SER 168 N 0.39 0.82 0.01 1.67 3.41 -1.26 -0.67 113.62 117.98 1hq4 n SER 168 Ca 0.02 0.48 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 1hq4 n SER 168 Cb 0.39 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 1hq4 n SER 168 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1hq4 h LYS 169 N 0.00 0.26 0.00 4.33 6.56 -1.97 -3.42 116.57 122.32 1hq4 h LYS 169 Ca 0.00 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1hq4 h LYS 169 Cb 0.75 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1hq4 h LYS 169 CO 0.00 1.18 0.00 -0.40 -2.06 0.00 0.00 179.45 178.17 1hq4 n ASP 170 N -3.47 0.64 -1.39 0.86 5.68 -1.25 -5.02 116.55 112.61 1hq4 n ASP 170 Ca -0.30 -1.20 -0.18 0.00 -0.50 0.00 0.00 54.79 52.60 1hq4 n ASP 170 Cb 1.05 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.95 1hq4 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1hq4 n SER 171 N -0.10 -5.25 -4.97 -1.12 7.64 0.15 -4.95 113.62 105.02 1hq4 n SER 171 Ca 0.00 0.45 -0.20 0.00 1.01 0.00 0.00 58.87 60.13 1hq4 n SER 171 Cb 0.26 -4.35 0.04 0.00 -1.01 0.00 0.00 64.21 59.14 1hq4 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hq4 s THR 172 N -2.65 2.70 0.40 0.44 -4.23 -1.26 -4.50 115.64 106.54 1hq4 s THR 172 Ca 0.00 -0.82 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1hq4 s THR 172 Cb 0.00 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 1hq4 s THR 172 CO 0.00 0.00 0.07 -0.31 -0.54 0.00 0.00 174.62 173.84 1hq4 s TYR 173 N -2.63 2.55 -0.11 3.99 2.02 0.12 -0.24 117.35 123.06 1hq4 s TYR 173 Ca 0.58 -0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 1hq4 s TYR 173 Cb -0.09 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1hq4 s TYR 173 CO 0.37 0.36 0.30 -1.12 -1.57 0.00 0.00 175.55 173.88 1hq4 s SER 174 N -3.78 -0.31 0.13 2.29 0.01 -1.26 -1.16 113.70 109.62 1hq4 s SER 174 Ca 0.37 0.59 0.06 0.00 1.31 0.00 0.00 55.95 58.28 1hq4 s SER 174 Cb 0.06 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 1hq4 s SER 174 CO 0.20 -0.11 -0.14 -0.32 0.41 0.00 0.00 173.24 173.28 1hq4 s MET 175 N 0.13 1.04 -0.07 12.44 1.75 0.84 -1.72 119.30 133.71 1hq4 s MET 175 Ca -0.00 -1.26 0.01 0.00 -1.25 0.00 0.00 55.69 53.18 1hq4 s MET 175 Cb -0.02 -0.89 0.02 0.00 2.84 0.00 0.00 34.83 36.78 1hq4 s MET 175 CO 0.00 0.17 -0.08 0.45 -0.65 0.00 0.00 175.02 174.91 1hq4 s SER 176 N -2.53 1.61 -0.09 1.11 0.15 -0.80 -0.30 113.70 112.86 1hq4 s SER 176 Ca 0.10 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1hq4 s SER 176 Cb -0.04 -0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 1hq4 s SER 176 CO 0.03 -0.05 -0.23 -0.55 1.20 0.00 0.00 173.24 173.64 1hq4 s SER 177 N 1.09 3.20 -0.06 5.45 0.15 0.89 -2.07 113.70 122.34 1hq4 s SER 177 Ca -0.07 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.09 1hq4 s SER 177 Cb -0.14 -1.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.97 1hq4 s SER 177 CO -0.01 0.20 -0.11 -0.89 1.20 0.00 0.00 173.24 173.62 1hq4 s THR 178 N 0.13 1.05 -0.18 6.45 2.01 -0.76 -0.03 115.64 124.30 1hq4 s THR 178 Ca -0.12 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1hq4 s THR 178 Cb -0.16 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 1hq4 s THR 178 CO 0.07 0.33 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.00 1hq4 s LEU 179 N 0.57 2.64 -0.15 4.42 2.96 0.14 0.00 118.68 129.26 1hq4 s LEU 179 Ca -0.12 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1hq4 s LEU 179 Cb -0.14 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1hq4 s LEU 179 CO 0.03 0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.11 1hq4 s THR 180 N 1.07 3.23 0.26 3.68 2.01 -0.78 -0.62 115.64 124.51 1hq4 s THR 180 Ca -0.00 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1hq4 s THR 180 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1hq4 s THR 180 CO -0.03 0.50 0.08 -0.76 -0.69 0.00 0.00 174.62 173.72 1hq4 s LEU 181 N 0.59 1.79 0.24 4.42 1.43 0.15 -4.81 118.68 122.49 1hq4 s LEU 181 Ca -0.06 -1.36 -0.25 0.00 -1.03 0.00 0.00 54.13 51.43 1hq4 s LEU 181 Cb -0.15 -0.07 -0.09 0.00 0.03 0.00 0.00 46.19 45.91 1hq4 s LEU 181 CO 0.03 -0.69 0.84 0.42 0.23 0.00 0.00 176.35 177.19 1hq4 s THR 182 N -3.65 4.31 0.56 5.49 -4.23 -1.26 -0.54 115.64 116.33 1hq4 s THR 182 Ca 0.36 1.71 0.31 0.00 -1.18 0.00 0.00 61.69 62.90 1hq4 s THR 182 Cb 0.08 -4.07 0.46 0.00 1.34 0.00 0.00 72.50 70.31 1hq4 s THR 182 CO 0.13 0.33 1.83 0.50 -0.54 0.00 0.00 174.62 176.87 1hq4 h LYS 183 N 3.72 0.00 0.63 3.99 3.11 -1.78 0.12 116.57 126.37 1hq4 h LYS 183 Ca -0.47 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.35 1hq4 h LYS 183 Cb 1.20 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1hq4 h LYS 183 CO 0.66 0.00 -0.48 0.22 -2.81 0.00 0.00 179.45 177.03 1hq4 h ASP 184 N 0.00 -1.27 0.80 4.20 3.58 -1.90 -2.83 116.42 119.00 1hq4 h ASP 184 Ca 0.38 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.87 1hq4 h ASP 184 Cb 1.73 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 43.17 1hq4 h ASP 184 CO -0.00 -0.69 -0.25 -0.08 -2.88 0.00 0.00 179.24 175.33 1hq4 h GLU 185 N -1.08 0.00 -0.03 0.28 4.22 -1.20 -3.07 114.58 113.70 1hq4 h GLU 185 Ca -0.08 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.26 1hq4 h GLU 185 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1hq4 h GLU 185 CO 0.02 0.25 -0.44 -0.92 -2.18 0.00 0.00 179.01 175.75 1hq4 h TYR 186 N 0.00 0.07 0.00 0.92 3.20 -1.10 -3.01 116.97 117.06 1hq4 h TYR 186 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1hq4 h TYR 186 Cb 0.73 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1hq4 h TYR 186 CO 0.00 0.49 -0.49 0.93 -1.64 0.00 0.00 178.16 177.45 1hq4 h GLU 187 N 0.05 0.00 -0.04 1.82 5.08 -1.41 -3.27 114.58 116.82 1hq4 h GLU 187 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hq4 h GLU 187 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1hq4 h GLU 187 CO 0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.61 1hq4 n ARG 188 N -2.17 1.21 -4.10 2.33 1.74 -1.14 -4.85 116.66 109.70 1hq4 n ARG 188 Ca 0.04 -0.32 -0.08 0.00 -0.77 0.00 0.00 57.85 56.72 1hq4 n ARG 188 Cb 0.44 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1hq4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1hq4 s HIS 189 N -1.95 0.60 -0.03 -1.55 3.76 -1.23 -5.10 115.29 109.80 1hq4 s HIS 189 Ca 0.31 -1.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 1hq4 s HIS 189 Cb 0.15 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 1hq4 s HIS 189 CO 0.24 -0.43 -0.00 -1.71 -0.85 0.00 0.00 174.74 171.99 1hq4 n ASN 190 N 0.04 4.22 -4.33 1.40 5.15 -1.26 -4.83 115.26 115.65 1hq4 n ASN 190 Ca -0.12 -0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.54 1hq4 n ASN 190 Cb 0.62 0.40 -0.15 0.00 -0.53 0.00 0.00 39.78 40.11 1hq4 n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1hq4 s SER 191 N -3.57 3.33 -0.08 1.20 1.04 -1.26 -0.36 113.70 113.99 1hq4 s SER 191 Ca -0.02 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1hq4 s SER 191 Cb 0.01 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.38 1hq4 s SER 191 CO 0.09 0.28 -0.18 -0.31 0.98 0.00 0.00 173.24 174.11 1hq4 s TYR 192 N -0.37 1.96 -0.03 5.02 1.51 -0.65 -0.72 117.35 124.08 1hq4 s TYR 192 Ca 0.03 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 1hq4 s TYR 192 Cb -0.12 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 1hq4 s TYR 192 CO 0.02 -0.35 -0.12 0.99 -1.11 0.00 0.00 175.55 174.98 1hq4 s THR 193 N 0.53 1.04 -0.36 -0.71 2.01 0.06 -1.89 115.64 116.33 1hq4 s THR 193 Ca -0.16 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1hq4 s THR 193 Cb -0.17 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.46 1hq4 s THR 193 CO 0.06 0.31 0.18 0.00 -0.69 0.00 0.00 174.62 174.48 1hq4 s GLU 195 N 1.52 3.32 -0.16 0.00 2.12 0.08 -1.67 118.70 123.90 1hq4 s GLU 195 Ca 0.01 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.63 1hq4 s GLU 195 Cb -0.19 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1hq4 s GLU 195 CO 0.06 -0.30 -0.08 0.00 -0.54 0.00 0.00 175.26 174.40 1hq4 s ALA 196 N 1.52 2.80 -0.34 6.30 0.00 0.16 -0.59 121.76 131.61 1hq4 s ALA 196 Ca 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1hq4 s ALA 196 Cb -0.16 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1hq4 s ALA 196 CO 0.01 0.05 0.09 0.99 0.00 0.00 0.00 175.76 176.89 1hq4 s THR 197 N 0.67 3.30 0.40 0.00 2.01 -0.54 0.30 115.64 121.78 1hq4 s THR 197 Ca -0.04 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 60.54 1hq4 s THR 197 Cb -0.15 -2.99 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 1hq4 s THR 197 CO 0.02 -0.28 0.01 -2.28 -0.69 0.00 0.00 174.62 171.40 1hq4 s HIS 198 N 1.27 2.51 0.25 4.92 2.46 -1.26 -2.33 115.29 123.11 1hq4 s HIS 198 Ca -0.01 -0.63 0.05 0.00 0.47 0.00 0.00 55.06 54.94 1hq4 s HIS 198 Cb -0.21 -1.73 0.31 0.00 -0.13 0.00 0.00 32.58 30.83 1hq4 s HIS 198 CO -0.01 0.44 1.61 0.87 -2.47 0.00 0.00 174.74 175.18 1hq4 h LYS 199 N 1.77 0.27 -0.00 2.88 1.57 -1.94 -3.23 116.57 117.89 1hq4 h LYS 199 Ca -0.44 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1hq4 h LYS 199 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1hq4 h LYS 199 CO 0.78 0.73 0.00 0.25 -0.57 0.00 0.00 179.45 180.63 1hq4 n THR 200 N -3.94 0.00 -3.57 -0.16 -2.24 -1.26 -4.66 114.28 98.45 1hq4 n THR 200 Ca -0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1hq4 n THR 200 Cb 0.56 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1hq4 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hq4 s SER 201 N -1.80 -0.25 -0.05 3.42 0.15 -1.22 -4.91 113.70 109.03 1hq4 s SER 201 Ca 0.00 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.79 1hq4 s SER 201 Cb 0.00 0.25 -0.25 0.00 -1.71 0.00 0.00 66.02 64.31 1hq4 s SER 201 CO 0.00 -0.36 0.64 0.71 1.20 0.00 0.00 173.24 175.42 1hq4 h THR 202 N 2.14 0.87 -3.10 6.45 1.35 -1.84 -3.43 112.91 115.34 1hq4 h THR 202 Ca -0.15 -2.64 -0.59 0.00 -0.55 0.00 0.00 66.41 62.47 1hq4 h THR 202 Cb 1.19 2.52 -0.04 0.00 -1.73 0.00 0.00 68.15 70.09 1hq4 h THR 202 CO 0.27 0.68 -0.31 -0.94 -0.25 0.00 0.00 175.52 174.97 1hq4 s SER 203 N -6.53 6.53 0.34 5.36 1.04 -1.26 -5.07 113.70 114.11 1hq4 s SER 203 Ca -0.10 0.64 -0.28 0.00 0.48 0.00 0.00 55.95 56.69 1hq4 s SER 203 Cb 0.07 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 1hq4 s SER 203 CO 0.81 0.12 1.19 -2.84 0.98 0.00 0.00 173.24 173.51 1hq4 s PRO 204 N -2.29 4.36 -0.18 4.02 0.02 -1.26 -4.84 135.00 134.82 1hq4 s PRO 204 Ca 0.36 1.96 -0.25 0.00 0.02 0.00 0.00 61.00 63.09 1hq4 s PRO 204 Cb -0.13 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 1hq4 s PRO 204 CO 0.21 -0.09 0.80 0.42 -0.33 0.00 0.00 177.00 178.01 1hq4 s ILE 205 N -1.24 4.89 0.06 2.83 1.01 0.15 -4.86 121.20 124.05 1hq4 s ILE 205 Ca 0.50 1.56 0.06 0.00 0.00 0.00 0.00 60.65 62.77 1hq4 s ILE 205 Cb -0.34 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 1hq4 s ILE 205 CO 0.44 0.03 -0.16 0.68 0.00 0.00 0.00 174.94 175.93 1hq4 s VAL 206 N 2.20 1.29 0.01 2.92 -7.23 -1.26 0.38 120.40 118.71 1hq4 s VAL 206 Ca 0.36 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1hq4 s VAL 206 Cb -0.16 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.58 1hq4 s VAL 206 CO 0.11 -0.05 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.28 1hq4 s LYS 207 N -1.47 0.25 0.10 4.82 3.01 -0.67 -5.00 119.74 120.77 1hq4 s LYS 207 Ca 0.02 -0.32 -0.26 0.00 -1.01 0.00 0.00 55.97 54.41 1hq4 s LYS 207 Cb -0.09 -0.10 0.08 0.00 -1.01 0.00 0.00 37.83 36.71 1hq4 s LYS 207 CO 0.02 0.02 0.84 -1.54 0.51 0.00 0.00 175.35 175.20 1hq4 s SER 208 N -0.65 -0.34 0.20 2.83 1.04 -1.26 -0.17 113.70 115.35 1hq4 s SER 208 Ca -0.05 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 1hq4 s SER 208 Cb -0.05 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1hq4 s SER 208 CO -0.00 -0.84 0.29 0.72 0.98 0.00 0.00 173.24 174.39 1hq4 s PHE 209 N -3.36 0.67 -0.07 5.02 -0.12 -0.79 -4.99 117.98 114.33 1hq4 s PHE 209 Ca 0.07 -0.98 0.04 0.00 -0.05 0.00 0.00 56.93 56.00 1hq4 s PHE 209 Cb -0.02 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 1hq4 s PHE 209 CO -0.05 -0.78 -0.18 -0.80 -0.05 0.00 0.00 175.22 173.37 1hq4 s ASN 210 N -3.05 2.32 0.54 1.98 -0.87 -1.26 -1.63 114.94 112.97 1hq4 s ASN 210 Ca 0.27 -0.40 0.24 0.00 -1.57 0.00 0.00 52.86 51.40 1hq4 s ASN 210 Cb 0.03 -0.93 1.41 0.00 -0.02 0.00 0.00 41.25 41.75 1hq4 s ASN 210 CO 0.07 0.11 2.05 0.03 -2.57 0.00 0.00 177.10 176.79 1hq4 h ARG 211 N 6.65 0.00 0.00 -0.60 3.08 -1.02 -2.70 114.38 119.79 1hq4 h ARG 211 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1hq4 h ARG 211 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1hq4 h ARG 211 CO 0.47 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.46 1hq4 n ASN 212 N -4.30 0.00 -3.56 7.04 5.03 -1.26 -3.72 115.26 114.49 1hq4 n ASN 212 Ca 0.05 0.97 -0.43 0.00 0.87 0.00 0.00 54.58 56.03 1hq4 n ASN 212 Cb 0.44 -0.47 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 1hq4 n ASN 212 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1hq4 n GLU 213 N -2.37 0.84 0.00 3.52 1.02 -1.02 -5.26 120.64 117.38 1hq4 n GLU 213 Ca 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 1hq4 n GLU 213 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 1hq4 n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31