#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqz n LYS 2 N 0.00 -3.19 -4.37 0.38 5.02 -1.26 -5.02 118.16 109.72 3lqz n LYS 2 Ca 0.00 0.56 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 3lqz n LYS 2 Cb 0.00 -4.81 -0.10 0.00 -0.02 0.00 0.00 35.03 30.10 3lqz n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lqz s ALA 3 N -3.62 2.18 -0.13 7.82 0.00 -1.26 -5.06 121.76 121.69 3lqz s ALA 3 Ca 0.20 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 3lqz s ALA 3 Cb -0.06 -0.17 -0.25 0.00 0.00 0.00 0.00 23.12 22.64 3lqz s ALA 3 CO 0.83 0.18 0.42 -0.44 0.00 0.00 0.00 175.76 176.76 3lqz h ASP 4 N 2.77 0.33 -4.89 0.00 3.32 -2.09 -3.48 116.42 112.37 3lqz h ASP 4 Ca -0.40 -0.82 -0.13 0.00 0.02 0.00 0.00 57.03 55.69 3lqz h ASP 4 Cb 1.22 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 3lqz h ASP 4 CO 0.57 1.69 -0.36 -1.00 -1.72 0.00 0.00 179.24 178.42 3lqz s HIS 5 N -2.49 -0.11 -0.08 4.55 3.76 -1.26 -5.14 115.29 114.52 3lqz s HIS 5 Ca -0.22 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 3lqz s HIS 5 Cb 0.06 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.81 3lqz s HIS 5 CO 0.74 -0.33 -0.06 0.14 -0.85 0.00 0.00 174.74 174.37 3lqz s VAL 6 N -1.24 0.79 -0.15 -0.90 -7.23 -1.26 -5.03 120.40 105.39 3lqz s VAL 6 Ca -0.13 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 3lqz s VAL 6 Cb -0.06 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 36.07 3lqz s VAL 6 CO 0.03 0.31 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.52 3lqz s SER 7 N 1.45 2.83 -0.02 4.85 0.01 -1.26 -0.30 113.70 121.25 3lqz s SER 7 Ca -0.01 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.71 3lqz s SER 7 Cb -0.13 -1.29 0.03 0.00 0.21 0.00 0.00 66.02 64.84 3lqz s SER 7 CO -0.04 -0.00 0.03 0.42 0.41 0.00 0.00 173.24 174.06 3lqz s THR 8 N 1.21 -0.06 -0.28 1.44 -4.23 -1.00 -5.01 115.64 107.72 3lqz s THR 8 Ca 0.00 0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 3lqz s THR 8 Cb -0.14 -0.08 0.01 0.00 1.34 0.00 0.00 72.50 73.63 3lqz s THR 8 CO -0.08 0.09 1.12 -0.31 -0.54 0.00 0.00 174.62 174.90 3lqz s TYR 9 N 1.09 3.10 -0.10 3.99 1.51 -1.26 -2.36 117.35 123.32 3lqz s TYR 9 Ca -0.09 1.20 0.02 0.00 -1.01 0.00 0.00 57.07 57.20 3lqz s TYR 9 Cb -0.13 -3.59 -0.01 0.00 -0.11 0.00 0.00 41.96 38.12 3lqz s TYR 9 CO -0.03 -0.93 -0.17 0.00 -1.11 0.00 0.00 175.55 173.31 3lqz s ALA 10 N 3.61 2.47 -0.14 3.71 0.00 -0.75 -5.00 121.76 125.66 3lqz s ALA 10 Ca 0.48 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 3lqz s ALA 10 Cb -0.15 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.02 3lqz s ALA 10 CO 0.14 0.35 0.35 0.00 0.00 0.00 0.00 175.76 176.60 3lqz s ALA 11 N 0.04 -0.87 0.21 0.00 0.00 -1.26 -1.35 121.76 118.52 3lqz s ALA 11 Ca -0.06 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.05 3lqz s ALA 11 Cb -0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3lqz s ALA 11 CO 0.05 -0.18 -0.13 -0.59 0.00 0.00 0.00 175.76 174.90 3lqz s PHE 12 N 0.46 1.73 -0.05 0.00 -0.71 -0.46 -4.98 117.98 113.97 3lqz s PHE 12 Ca -0.02 -0.59 0.01 0.00 -1.04 0.00 0.00 56.93 55.29 3lqz s PHE 12 Cb -0.04 -0.83 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 3lqz s PHE 12 CO -0.02 0.35 -0.05 0.08 -1.34 0.00 0.00 175.22 174.23 3lqz s VAL 13 N -2.98 0.63 0.21 -2.49 1.01 -1.26 -1.21 120.40 114.31 3lqz s VAL 13 Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3lqz s VAL 13 Cb -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 3lqz s VAL 13 CO 0.07 0.26 0.02 0.00 0.00 0.00 0.00 175.10 175.45 3lqz s GLN 14 N 1.05 1.24 0.29 2.72 -2.07 -1.17 -4.96 119.66 116.76 3lqz s GLN 14 Ca -0.09 -1.62 0.26 0.00 -1.82 0.00 0.00 55.36 52.09 3lqz s GLN 14 Cb -0.14 -0.38 0.80 0.00 -1.09 0.00 0.00 33.01 32.20 3lqz s GLN 14 CO -0.01 -0.15 1.75 1.79 -1.32 0.00 0.00 175.29 177.35 3lqz h THR 15 N 2.56 0.00 -5.49 3.63 1.35 -1.87 -3.40 112.91 109.69 3lqz h THR 15 Ca -0.37 -0.53 -0.52 0.00 -0.55 0.00 0.00 66.41 64.44 3lqz h THR 15 Cb 1.22 1.48 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 3lqz h THR 15 CO 0.63 0.00 -0.28 1.57 -0.25 0.00 0.00 175.52 177.19 3lqz n HIS 16 N -2.47 -0.36 0.00 4.73 -0.00 -1.26 -4.96 115.22 110.90 3lqz n HIS 16 Ca 0.04 -2.08 0.00 0.00 -0.00 0.00 0.00 57.72 55.69 3lqz n HIS 16 Cb 0.40 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 3lqz n HIS 16 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3lqz n ARG 17 N -1.53 0.00 -2.35 1.57 5.12 -1.26 -2.94 116.66 115.26 3lqz n ARG 17 Ca -0.05 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.46 3lqz n ARG 17 Cb 0.55 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.83 3lqz n ARG 17 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3lqz s PRO 18 N 0.00 3.15 0.24 5.56 0.02 -1.26 -4.83 135.00 137.87 3lqz s PRO 18 Ca 0.00 0.34 0.14 0.00 0.02 0.00 0.00 61.00 61.50 3lqz s PRO 18 Cb 0.00 -4.19 0.76 0.00 0.02 0.00 0.00 34.50 31.09 3lqz s PRO 18 CO 0.00 -2.14 1.39 2.41 -0.33 0.00 0.00 177.00 178.33 3lqz n THR 19 N 6.82 1.13 0.00 0.99 -1.04 -1.15 -4.33 114.28 116.70 3lqz n THR 19 Ca 0.12 0.68 0.00 0.00 -2.04 0.00 0.00 64.05 62.81 3lqz n THR 19 Cb 0.50 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 3lqz n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3lqz n GLY 20 N -1.33 4.28 3.26 3.41 0.00 -1.26 -3.03 105.19 110.53 3lqz n GLY 20 Ca -0.01 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 3lqz n GLY 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3lqz s GLU 21 N -3.64 1.38 -0.14 1.61 -1.05 -0.35 -4.95 118.70 111.57 3lqz s GLU 21 Ca 0.00 -1.76 -0.06 0.00 -0.15 0.00 0.00 54.97 53.00 3lqz s GLU 21 Cb 0.00 0.08 0.06 0.00 -0.44 0.00 0.00 34.13 33.83 3lqz s GLU 21 CO 0.00 -0.41 0.31 0.12 0.95 0.00 0.00 175.26 176.24 3lqz s PHE 22 N -3.88 -0.48 0.28 4.83 5.36 -1.26 -1.35 117.98 121.47 3lqz s PHE 22 Ca 0.38 1.05 -0.06 0.00 -0.96 0.00 0.00 56.93 57.35 3lqz s PHE 22 Cb 0.06 0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 3lqz s PHE 22 CO 0.15 -0.32 0.47 0.00 -1.46 0.00 0.00 175.22 174.06 3lqz n MET 23 N 4.69 0.68 -4.17 10.12 0.00 -0.46 -2.39 117.12 125.59 3lqz n MET 23 Ca -0.18 -1.87 -0.16 0.00 0.00 0.00 0.00 57.70 55.50 3lqz n MET 23 Cb 0.52 2.03 -0.11 0.00 0.00 0.00 0.00 33.22 35.66 3lqz n MET 23 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 3lqz s PHE 24 N -3.72 1.11 -0.07 3.17 5.36 -0.33 -1.82 117.98 121.68 3lqz s PHE 24 Ca 0.17 -0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 3lqz s PHE 24 Cb -0.02 -0.61 0.02 0.00 -0.34 0.00 0.00 43.02 42.06 3lqz s PHE 24 CO 0.12 0.03 0.17 -2.00 -1.46 0.00 0.00 175.22 172.08 3lqz s GLU 25 N -2.26 0.20 -0.29 10.12 2.12 -1.00 -0.32 118.70 127.27 3lqz s GLU 25 Ca 0.01 0.26 -0.03 0.00 0.36 0.00 0.00 54.97 55.57 3lqz s GLU 25 Cb -0.07 0.08 0.10 0.00 0.26 0.00 0.00 34.13 34.50 3lqz s GLU 25 CO 0.01 -0.04 0.12 0.12 -0.54 0.00 0.00 175.26 174.93 3lqz s PHE 26 N 0.18 0.82 -1.02 5.30 5.36 0.84 -2.36 117.98 127.10 3lqz s PHE 26 Ca -0.01 -1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 54.75 3lqz s PHE 26 Cb -0.02 -1.19 -0.04 0.00 -0.34 0.00 0.00 43.02 41.43 3lqz s PHE 26 CO -0.00 -0.84 0.88 -0.25 -1.46 0.00 0.00 175.22 173.55 3lqz n ASP 27 N 5.10 -4.85 0.00 6.13 8.00 0.59 -3.42 116.55 128.10 3lqz n ASP 27 Ca -0.05 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3lqz n ASP 27 Cb 0.42 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 3lqz n ASP 27 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3lqz n GLU 28 N -3.37 0.00 -3.38 -1.24 4.07 -1.26 -4.95 120.64 110.52 3lqz n GLU 28 Ca -0.13 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.59 3lqz n GLU 28 Cb 0.63 -2.26 -0.06 0.00 -0.06 0.00 0.00 31.44 29.69 3lqz n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3lqz s ASP 29 N -2.07 6.92 -0.12 4.31 1.01 -1.22 -5.06 116.67 120.43 3lqz s ASP 29 Ca 0.00 1.11 -0.19 0.00 0.71 0.00 0.00 52.55 54.18 3lqz s ASP 29 Cb 0.00 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3lqz s ASP 29 CO 0.00 0.25 0.54 -0.70 0.21 0.00 0.00 175.17 175.47 3lqz s GLU 30 N -1.31 4.34 -0.10 8.23 -6.30 -1.26 -0.11 118.70 122.18 3lqz s GLU 30 Ca 0.29 0.54 -0.07 0.00 -2.50 0.00 0.00 54.97 53.24 3lqz s GLU 30 Cb -0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 34.13 30.47 3lqz s GLU 30 CO 0.17 0.08 -0.13 -0.12 0.02 0.00 0.00 175.26 175.29 3lqz n MET 31 N 3.90 0.33 -3.87 4.30 0.00 0.56 -4.67 117.12 117.67 3lqz n MET 31 Ca -0.05 0.46 -0.11 0.00 -0.00 0.00 0.00 57.70 58.00 3lqz n MET 31 Cb 0.51 -1.44 -0.09 0.00 0.00 0.00 0.00 33.22 32.20 3lqz n MET 31 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 3lqz s PHE 32 N -1.90 0.07 0.34 1.12 -0.12 -1.25 -0.93 117.98 115.31 3lqz s PHE 32 Ca -0.11 -0.26 0.05 0.00 -0.05 0.00 0.00 56.93 56.56 3lqz s PHE 32 Cb 0.01 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3lqz s PHE 32 CO 0.16 -0.37 0.19 1.52 -0.05 0.00 0.00 175.22 176.67 3lqz s TYR 33 N -2.17 1.69 -0.20 3.49 -0.85 -0.62 -1.19 117.35 117.50 3lqz s TYR 33 Ca -0.08 -1.45 -0.01 0.00 -0.52 0.00 0.00 57.07 55.01 3lqz s TYR 33 Cb -0.03 -0.88 0.01 0.00 0.38 0.00 0.00 41.96 41.43 3lqz s TYR 33 CO -0.02 -0.59 -0.13 0.08 -1.52 0.00 0.00 175.55 173.37 3lqz s VAL 34 N -3.46 2.61 -0.22 -3.49 1.01 -1.01 0.64 120.40 116.50 3lqz s VAL 34 Ca 0.34 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3lqz s VAL 34 Cb 0.03 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3lqz s VAL 34 CO 0.20 0.48 1.13 -0.62 0.00 0.00 0.00 175.10 176.29 3lqz s ASP 35 N 1.37 7.02 0.09 3.32 -1.08 0.48 -4.59 116.67 123.28 3lqz s ASP 35 Ca 0.05 1.46 0.04 0.00 -0.52 0.00 0.00 52.55 53.58 3lqz s ASP 35 Cb -0.14 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.55 3lqz s ASP 35 CO -0.09 -0.73 1.19 -0.07 0.52 0.00 0.00 175.17 175.99 3lqz h LEU 36 N 9.64 0.14 0.54 -1.34 3.38 -1.93 0.94 115.31 126.68 3lqz h LEU 36 Ca -0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3lqz h LEU 36 Cb 1.08 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.79 3lqz h LEU 36 CO 0.98 1.12 -0.26 0.44 0.09 0.00 0.00 178.44 180.82 3lqz h ASP 37 N 0.02 -0.61 0.71 -0.43 3.32 -1.97 -3.27 116.42 114.19 3lqz h ASP 37 Ca -0.07 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3lqz h ASP 37 Cb 1.85 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.56 3lqz h ASP 37 CO 0.15 -0.22 0.00 0.29 -1.72 0.00 0.00 179.24 177.74 3lqz n LYS 38 N -5.27 0.08 -3.75 3.56 5.02 -1.22 -4.90 118.16 111.68 3lqz n LYS 38 Ca -0.10 0.27 -0.26 0.00 -2.02 0.00 0.00 58.31 56.20 3lqz n LYS 38 Cb 0.31 -1.63 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3lqz n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3lqz n LYS 39 N -1.78 -6.24 -4.02 1.97 5.02 0.30 -5.01 118.16 108.40 3lqz n LYS 39 Ca 0.04 0.69 -0.08 0.00 -2.02 0.00 0.00 58.31 56.93 3lqz n LYS 39 Cb 0.23 -5.59 -0.11 0.00 -0.02 0.00 0.00 35.03 29.55 3lqz n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3lqz s GLU 40 N -6.33 0.42 0.01 1.97 2.02 -1.05 -4.88 118.70 110.85 3lqz s GLU 40 Ca 0.48 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 3lqz s GLU 40 Cb -0.23 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 3lqz s GLU 40 CO 0.79 -0.07 1.13 0.99 0.02 0.00 0.00 175.26 178.11 3lqz s THR 41 N -2.30 4.37 -0.17 3.63 2.01 -1.26 -0.39 115.64 121.53 3lqz s THR 41 Ca -0.08 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 3lqz s THR 41 Cb -0.04 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 3lqz s THR 41 CO -0.04 0.09 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.17 3lqz s VAL 42 N 1.39 2.98 -0.22 3.82 1.01 0.21 -4.92 120.40 124.67 3lqz s VAL 42 Ca 0.55 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 3lqz s VAL 42 Cb -0.25 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3lqz s VAL 42 CO 0.26 0.49 0.36 0.26 0.00 0.00 0.00 175.10 176.48 3lqz s TRP 43 N 0.85 3.35 0.14 5.22 0.52 -1.26 -1.59 118.94 126.17 3lqz s TRP 43 Ca -0.03 0.53 -0.27 0.00 0.02 0.00 0.00 56.10 56.35 3lqz s TRP 43 Cb -0.15 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 3lqz s TRP 43 CO 0.00 -0.02 1.59 1.25 0.02 0.00 0.00 176.95 179.79 3lqz h HIS 44 N 7.49 -1.06 -3.13 -1.98 2.76 -1.31 -3.41 115.15 114.52 3lqz h HIS 44 Ca -0.36 0.05 -0.65 0.00 -2.20 0.00 0.00 60.37 57.21 3lqz h HIS 44 Cb 1.16 0.50 -0.13 0.00 1.55 0.00 0.00 27.41 30.49 3lqz h HIS 44 CO 0.69 -0.43 -0.56 -0.51 -1.30 0.00 0.00 177.93 175.81 3lqz s LEU 45 N -10.44 3.88 0.25 0.26 1.43 -1.26 -5.01 118.68 107.79 3lqz s LEU 45 Ca -0.15 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3lqz s LEU 45 Cb 0.11 -1.94 0.50 0.00 0.03 0.00 0.00 46.19 44.89 3lqz s LEU 45 CO 0.65 0.31 1.75 -0.33 0.23 0.00 0.00 176.35 178.96 3lqz h GLU 46 N 5.70 0.52 0.00 1.70 5.08 -2.00 0.60 114.58 126.17 3lqz h GLU 46 Ca -0.46 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 3lqz h GLU 46 Cb 1.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3lqz h GLU 46 CO 0.61 0.34 -0.21 1.05 -1.00 0.00 0.00 179.01 179.80 3lqz h GLU 47 N 0.53 0.00 0.17 2.33 4.11 -1.96 -3.07 114.58 116.70 3lqz h GLU 47 Ca 0.44 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.88 3lqz h GLU 47 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3lqz h GLU 47 CO -0.38 0.21 -0.28 0.74 0.07 0.00 0.00 179.01 179.37 3lqz h PHE 48 N 0.00 -0.75 -0.35 2.06 0.05 -1.27 -2.72 116.94 113.96 3lqz h PHE 48 Ca -0.00 0.01 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 3lqz h PHE 48 Cb 0.45 0.31 -0.02 0.00 2.00 0.00 0.00 35.95 38.69 3lqz h PHE 48 CO 0.00 -0.39 -0.05 0.78 -0.18 0.00 0.00 178.31 178.47 3lqz h GLY 49 N -0.52 0.61 1.31 -1.45 0.00 -1.58 -0.00 103.07 101.43 3lqz h GLY 49 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3lqz h GLY 49 CO -0.13 0.36 0.00 -1.06 0.00 0.00 0.00 176.54 175.72 3lqz n GLN 50 N -4.24 0.51 -0.11 4.80 6.02 -1.19 -3.47 117.38 119.70 3lqz n GLN 50 Ca 0.01 0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 3lqz n GLN 50 Cb 0.29 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 3lqz n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3lqz n ALA 51 N -1.16 1.52 -3.56 -1.58 0.00 -0.05 -5.04 120.51 110.64 3lqz n ALA 51 Ca 0.14 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.44 3lqz n ALA 51 Cb 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 3lqz n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3lqz s PHE 52 N -2.45 -0.71 0.58 0.00 -0.71 -0.99 -5.12 117.98 108.57 3lqz s PHE 52 Ca -0.28 1.67 0.03 0.00 -1.04 0.00 0.00 56.93 57.31 3lqz s PHE 52 Cb 0.08 0.27 0.06 0.00 -1.21 0.00 0.00 43.02 42.21 3lqz s PHE 52 CO 0.55 -0.38 0.80 0.45 -1.34 0.00 0.00 175.22 175.30 3lqz s SER 53 N 0.13 5.08 -0.16 1.98 0.15 -1.26 -4.53 113.70 115.09 3lqz s SER 53 Ca -0.02 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.26 3lqz s SER 53 Cb -0.04 -0.48 0.05 0.00 -1.71 0.00 0.00 66.02 63.84 3lqz s SER 53 CO 0.02 -1.29 0.40 0.12 1.20 0.00 0.00 173.24 173.69 3lqz s PHE 54 N -2.78 -0.52 -0.37 3.44 5.36 -1.26 -5.12 117.98 116.73 3lqz s PHE 54 Ca 0.60 1.17 -0.28 0.00 -0.96 0.00 0.00 56.93 57.45 3lqz s PHE 54 Cb -0.08 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.78 3lqz s PHE 54 CO 0.39 -0.28 1.86 -1.21 -1.46 0.00 0.00 175.22 174.52 3lqz s GLU 55 N 0.87 3.16 0.46 10.12 0.41 -1.26 -4.75 118.70 127.72 3lqz s GLU 55 Ca -0.05 1.34 0.16 0.00 -0.41 0.00 0.00 54.97 56.00 3lqz s GLU 55 Cb -0.06 -4.25 1.11 0.00 -1.78 0.00 0.00 34.13 29.15 3lqz s GLU 55 CO -0.07 -2.06 2.01 0.00 -0.49 0.00 0.00 175.26 174.65 3lqz h ALA 56 N 13.60 2.07 -0.83 5.21 0.00 -1.94 -2.24 119.26 135.13 3lqz h ALA 56 Ca -0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3lqz h ALA 56 Cb 1.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3lqz h ALA 56 CO 1.06 -0.18 0.43 0.37 0.00 0.00 0.00 179.25 180.93 3lqz h GLN 57 N 0.30 1.18 -0.83 0.00 5.75 -1.90 -2.64 115.11 116.97 3lqz h GLN 57 Ca 0.23 -0.15 0.14 0.00 -0.15 0.00 0.00 58.65 58.71 3lqz h GLN 57 Cb 0.51 -0.22 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 3lqz h GLN 57 CO -0.05 0.88 0.54 0.78 -2.65 0.00 0.00 178.83 178.33 3lqz h GLY 58 N 1.17 0.99 0.97 2.39 0.00 -1.80 0.23 103.07 107.02 3lqz h GLY 58 Ca 0.29 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 47.14 3lqz h GLY 58 CO -0.04 0.09 -0.92 -1.33 0.00 0.00 0.00 176.54 174.34 3lqz h GLY 59 N 0.59 0.56 0.30 4.60 0.00 -1.63 -2.68 103.07 104.81 3lqz h GLY 59 Ca 0.41 -1.12 0.13 0.00 0.00 0.00 0.00 47.33 46.75 3lqz h GLY 59 CO -0.16 0.99 0.41 1.41 0.00 0.00 0.00 176.54 179.18 3lqz h LEU 60 N 0.04 0.50 0.18 3.11 3.38 -0.88 0.14 115.31 121.79 3lqz h LEU 60 Ca -0.13 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3lqz h LEU 60 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3lqz h LEU 60 CO 0.18 0.24 -0.09 0.00 0.09 0.00 0.00 178.44 178.85 3lqz h ALA 61 N 1.52 -0.25 -0.05 1.53 0.00 -0.59 -1.99 119.26 119.44 3lqz h ALA 61 Ca 0.43 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3lqz h ALA 61 Cb 0.56 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3lqz h ALA 61 CO -0.34 -0.59 -0.24 -0.91 0.00 0.00 0.00 179.25 177.18 3lqz h ASN 62 N -0.34 0.07 -0.57 0.00 2.35 -1.02 0.10 115.58 116.18 3lqz h ASN 62 Ca -0.03 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 3lqz h ASN 62 Cb 0.26 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3lqz h ASN 62 CO 0.04 0.32 0.02 -0.29 -1.65 0.00 0.00 177.43 175.87 3lqz h ILE 63 N 0.07 1.26 -0.21 2.81 6.09 -0.40 -0.78 117.51 126.35 3lqz h ILE 63 Ca 0.01 -1.10 -0.04 0.00 -1.37 0.00 0.00 64.86 62.36 3lqz h ILE 63 Cb 0.46 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3lqz h ILE 63 CO 0.03 0.40 -0.01 0.00 -3.07 0.00 0.00 178.15 175.51 3lqz h ALA 64 N 1.07 0.28 -0.63 0.18 0.00 -0.37 -0.64 119.26 119.17 3lqz h ALA 64 Ca 0.17 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3lqz h ALA 64 Cb 0.52 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 3lqz h ALA 64 CO 0.03 0.01 0.14 0.82 0.00 0.00 0.00 179.25 180.25 3lqz h ILE 65 N 0.13 0.62 0.00 0.00 2.04 -0.60 -1.36 117.51 118.34 3lqz h ILE 65 Ca 0.06 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 3lqz h ILE 65 Cb 0.41 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3lqz h ILE 65 CO 0.01 0.05 -0.50 -0.07 0.00 0.00 0.00 178.15 177.64 3lqz h LEU 66 N 0.27 0.00 -0.70 1.44 3.38 -0.85 -0.83 115.31 118.02 3lqz h LEU 66 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 3lqz h LEU 66 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3lqz h LEU 66 CO -0.42 0.50 0.42 0.78 0.09 0.00 0.00 178.44 179.81 3lqz h ASN 67 N 0.00 0.84 0.78 -0.43 2.35 -0.07 -0.98 115.58 118.08 3lqz h ASN 67 Ca -0.01 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3lqz h ASN 67 Cb 1.04 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 39.20 3lqz h ASN 67 CO 0.07 0.66 -0.37 -1.13 -1.65 0.00 0.00 177.43 175.00 3lqz h ASN 68 N 0.95 -0.89 -1.02 5.81 -0.00 -0.55 -3.04 115.58 116.86 3lqz h ASN 68 Ca 0.25 0.03 0.26 0.00 -0.00 0.00 0.00 56.30 56.85 3lqz h ASN 68 Cb -0.03 0.23 -0.12 0.00 -0.00 0.00 0.00 38.32 38.40 3lqz h ASN 68 CO -0.05 -0.57 0.61 0.78 -0.00 0.00 0.00 177.43 178.20 3lqz h ASN 69 N -1.17 0.61 -0.69 1.15 -0.26 -1.05 0.34 115.58 114.50 3lqz h ASN 69 Ca -0.11 0.14 0.14 0.00 -0.56 0.00 0.00 56.30 55.92 3lqz h ASN 69 Cb 0.80 0.05 -0.10 0.00 -1.06 0.00 0.00 38.32 38.01 3lqz h ASN 69 CO 0.18 0.06 0.15 0.25 -1.06 0.00 0.00 177.43 177.00 3lqz h LEU 70 N 0.51 -0.02 -0.50 1.61 5.85 -1.05 -1.83 115.31 119.87 3lqz h LEU 70 Ca 0.66 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 59.44 3lqz h LEU 70 Cb 1.37 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 3lqz h LEU 70 CO -0.47 -0.03 -0.01 0.78 -0.34 0.00 0.00 178.44 178.37 3lqz h ASN 71 N 0.25 0.86 -0.57 1.25 -0.26 -0.33 0.11 115.58 116.90 3lqz h ASN 71 Ca 0.38 -0.31 0.11 0.00 -0.56 0.00 0.00 56.30 55.92 3lqz h ASN 71 Cb 0.63 -0.23 -0.09 0.00 -1.06 0.00 0.00 38.32 37.57 3lqz h ASN 71 CO -0.49 0.96 0.05 0.74 -1.06 0.00 0.00 177.43 177.64 3lqz h THR 72 N 0.74 0.59 0.00 2.81 2.02 -1.20 -2.54 112.91 115.34 3lqz h THR 72 Ca 0.14 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3lqz h THR 72 Cb 0.52 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3lqz h THR 72 CO 0.03 0.03 -0.37 -0.07 0.37 0.00 0.00 175.52 175.50 3lqz h LEU 73 N 0.17 0.00 -1.70 2.58 4.07 -0.93 -0.63 115.31 118.88 3lqz h LEU 73 Ca 0.29 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.40 3lqz h LEU 73 Cb 0.45 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 3lqz h LEU 73 CO -0.44 0.11 0.46 0.40 -1.08 0.00 0.00 178.44 177.89 3lqz h ILE 74 N 0.00 0.79 0.00 1.22 2.04 -0.38 -3.32 117.51 117.87 3lqz h ILE 74 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3lqz h ILE 74 Cb 1.09 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3lqz h ILE 74 CO 0.01 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3lqz n GLN 75 N -4.45 0.00 -0.13 2.37 1.13 -0.27 -1.80 117.38 114.23 3lqz n GLN 75 Ca 0.13 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.16 3lqz n GLN 75 Cb 0.53 -0.63 -0.01 0.00 0.11 0.00 0.00 30.24 30.25 3lqz n GLN 75 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3lqz n ARG 76 N -0.49 0.32 -0.11 -1.09 1.85 -1.05 -0.34 116.66 115.75 3lqz n ARG 76 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 3lqz n ARG 76 Cb 0.00 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 3lqz n ARG 76 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3lqz n SER 77 N 3.75 0.00 -3.74 2.89 3.41 -1.25 -4.96 113.62 113.73 3lqz n SER 77 Ca 0.07 -0.23 -0.27 0.00 -0.26 0.00 0.00 58.87 58.18 3lqz n SER 77 Cb 0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 3lqz n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lqz n ASN 78 N 0.00 -1.48 -3.35 4.04 4.13 0.54 -1.16 115.26 117.97 3lqz n ASN 78 Ca 0.00 -0.62 -0.15 0.00 1.68 0.00 0.00 54.58 55.49 3lqz n ASN 78 Cb 0.11 -1.34 0.03 0.00 -1.54 0.00 0.00 39.78 37.05 3lqz n ASN 78 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3lqz n HIS 79 N -3.40 -2.45 -3.28 3.10 8.25 -0.74 -4.98 115.22 111.71 3lqz n HIS 79 Ca 0.08 0.84 -0.39 0.00 -0.26 0.00 0.00 57.72 57.99 3lqz n HIS 79 Cb 0.45 -3.81 -0.06 0.00 1.12 0.00 0.00 29.99 27.69 3lqz n HIS 79 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3lqz s THR 80 N -3.24 4.76 -0.09 1.59 2.01 -0.31 -5.07 115.64 115.29 3lqz s THR 80 Ca 0.27 1.20 0.02 0.00 0.31 0.00 0.00 61.69 63.48 3lqz s THR 80 Cb -0.06 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.57 3lqz s THR 80 CO 0.79 0.55 -0.15 -1.10 -0.69 0.00 0.00 174.62 174.02 3lqz s GLN 81 N -1.08 2.11 0.67 4.92 -0.21 -1.26 -5.09 119.66 119.72 3lqz s GLN 81 Ca 0.29 -0.54 -0.16 0.00 0.02 0.00 0.00 55.36 54.97 3lqz s GLN 81 Cb -0.19 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.07 3lqz s GLN 81 CO 0.19 -0.01 1.15 0.00 -2.12 0.00 0.00 175.29 174.50 3lqz s ALA 82 N 0.81 2.38 0.44 6.09 0.00 -1.26 -5.03 121.76 125.19 3lqz s ALA 82 Ca -0.11 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 3lqz s ALA 82 Cb -0.16 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3lqz s ALA 82 CO 0.01 -1.41 0.77 0.95 0.00 0.00 0.00 175.76 176.09 3lqz s THR 83 N -2.13 4.85 -0.27 0.00 -4.23 -1.26 -4.98 115.64 107.62 3lqz s THR 83 Ca 0.70 0.42 -0.28 0.00 -1.18 0.00 0.00 61.69 61.35 3lqz s THR 83 Cb -0.24 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 69.82 3lqz s THR 83 CO 0.41 -0.67 1.01 0.20 -0.54 0.00 0.00 174.62 175.02 3lqz s ASN 84 N -3.60 6.97 -0.33 3.99 0.01 -1.26 -4.82 114.94 115.90 3lqz s ASN 84 Ca 0.49 1.16 -0.21 0.00 -0.71 0.00 0.00 52.86 53.60 3lqz s ASN 84 Cb -0.10 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 3lqz s ASN 84 CO 0.38 -0.72 0.65 -1.81 -1.51 0.00 0.00 177.10 174.08 3lqz s ASP 85 N 1.41 6.47 0.61 -1.22 -0.00 0.17 -4.40 116.67 119.72 3lqz s ASP 85 Ca 0.42 0.29 -0.19 0.00 -0.00 0.00 0.00 52.55 53.07 3lqz s ASP 85 Cb -0.14 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.92 40.42 3lqz s ASP 85 CO 0.10 -0.55 1.27 -0.81 -0.00 0.00 0.00 175.17 175.18 3lqz n PRO 86 N 6.00 1.26 -2.85 8.23 -0.04 -1.26 -1.69 135.00 144.65 3lqz n PRO 86 Ca -0.01 0.48 -0.40 0.00 -0.04 0.00 0.00 63.50 63.53 3lqz n PRO 86 Cb 0.49 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 3lqz n PRO 86 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3lqz s PRO 87 N -3.15 4.64 -0.28 0.54 0.02 -1.26 -4.35 135.00 131.16 3lqz s PRO 87 Ca 0.79 1.29 -0.18 0.00 0.02 0.00 0.00 61.00 62.91 3lqz s PRO 87 Cb -0.40 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 30.77 3lqz s PRO 87 CO 0.44 0.35 0.53 -1.21 -0.33 0.00 0.00 177.00 176.78 3lqz s GLU 88 N -0.42 3.99 -0.15 5.54 2.02 -0.38 -4.87 118.70 124.43 3lqz s GLU 88 Ca 0.41 0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.69 3lqz s GLU 88 Cb -0.23 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.33 3lqz s GLU 88 CO 0.27 -0.42 -0.21 0.08 0.02 0.00 0.00 175.26 175.01 3lqz s VAL 89 N 2.37 1.99 0.16 2.63 1.01 -1.26 -0.92 120.40 126.37 3lqz s VAL 89 Ca 0.21 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.35 3lqz s VAL 89 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3lqz s VAL 89 CO 0.10 0.53 -0.18 0.42 0.00 0.00 0.00 175.10 175.98 3lqz s THR 90 N 0.95 1.75 -0.04 3.92 -4.23 -0.53 -4.86 115.64 112.60 3lqz s THR 90 Ca -0.04 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3lqz s THR 90 Cb -0.15 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.93 3lqz s THR 90 CO -0.04 -0.31 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.99 3lqz s VAL 91 N -2.01 0.50 0.09 2.29 1.01 -1.26 -0.38 120.40 120.64 3lqz s VAL 91 Ca 0.14 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 3lqz s VAL 91 Cb -0.06 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.85 3lqz s VAL 91 CO 0.06 0.21 0.53 0.72 0.00 0.00 0.00 175.10 176.62 3lqz s PHE 92 N 0.87 -0.43 0.85 5.22 -0.12 -0.61 -4.97 117.98 118.79 3lqz s PHE 92 Ca -0.11 0.36 -0.12 0.00 -0.05 0.00 0.00 56.93 57.01 3lqz s PHE 92 Cb -0.14 0.39 0.10 0.00 -0.63 0.00 0.00 43.02 42.74 3lqz s PHE 92 CO 0.00 -0.71 1.12 -2.14 -0.05 0.00 0.00 175.22 173.44 3lqz s PRO 93 N -2.99 1.64 -0.11 1.99 0.02 -1.26 -0.57 135.00 133.72 3lqz s PRO 93 Ca -0.02 0.48 -0.11 0.00 0.02 0.00 0.00 61.00 61.37 3lqz s PRO 93 Cb -0.00 -1.88 -0.27 0.00 0.02 0.00 0.00 34.50 32.37 3lqz s PRO 93 CO -0.06 -1.89 0.45 -0.22 -0.33 0.00 0.00 177.00 174.94 3lqz h LYS 94 N -1.28 0.26 -6.18 5.54 3.64 -1.25 -3.44 116.57 113.86 3lqz h LYS 94 Ca -0.49 -0.45 -0.55 0.00 -1.27 0.00 0.00 60.65 57.89 3lqz h LYS 94 Cb 1.30 0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 33.20 3lqz h LYS 94 CO 0.60 1.21 -0.62 -1.21 -2.27 0.00 0.00 179.45 177.17 3lqz s GLU 95 N -2.53 2.33 0.17 1.90 0.41 -1.26 -5.04 118.70 114.68 3lqz s GLU 95 Ca -0.21 -1.43 -0.34 0.00 -0.41 0.00 0.00 54.97 52.58 3lqz s GLU 95 Cb 0.06 -2.18 -0.14 0.00 -1.78 0.00 0.00 34.13 30.10 3lqz s GLU 95 CO 0.77 0.32 1.59 -2.30 -0.49 0.00 0.00 175.26 175.15 3lqz n PRO 96 N -0.95 2.23 -2.17 0.39 -0.02 -1.26 -4.93 135.00 128.29 3lqz n PRO 96 Ca -0.06 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3lqz n PRO 96 Cb 0.59 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3lqz n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lqz s VAL 97 N 0.91 2.97 0.01 -1.45 1.01 -1.26 -5.05 120.40 117.54 3lqz s VAL 97 Ca 0.78 0.87 -0.22 0.00 0.00 0.00 0.00 61.98 63.41 3lqz s VAL 97 Cb -0.66 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.22 3lqz s VAL 97 CO 0.37 0.16 0.49 -1.83 0.00 0.00 0.00 175.10 174.29 3lqz s GLU 98 N -0.78 0.93 -0.17 2.72 -1.05 -1.26 -5.11 118.70 113.99 3lqz s GLU 98 Ca 0.54 -0.13 -0.15 0.00 -0.15 0.00 0.00 54.97 55.08 3lqz s GLU 98 Cb -0.38 0.42 -0.06 0.00 -0.44 0.00 0.00 34.13 33.67 3lqz s GLU 98 CO 0.44 -0.31 0.64 -0.11 0.95 0.00 0.00 175.26 176.87 3lqz n LEU 99 N 0.76 0.32 -4.15 1.83 0.00 -1.26 -1.96 117.00 112.53 3lqz n LEU 99 Ca -0.19 0.30 -0.38 0.00 0.00 0.00 0.00 56.01 55.74 3lqz n LEU 99 Cb 0.58 -0.30 -0.04 0.00 0.00 0.00 0.00 43.42 43.67 3lqz n LEU 99 CO 0.21 -0.27 -0.30 0.61 0.00 0.00 0.00 177.39 177.64 3lqz n GLY 100 N 2.01 -0.46 2.75 -3.96 0.00 -0.89 -4.94 105.19 99.71 3lqz n GLY 100 Ca 0.15 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 3lqz n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lqz s GLN 101 N -7.28 0.66 -0.19 1.61 2.00 -0.83 -4.94 119.66 110.70 3lqz s GLN 101 Ca 0.24 -0.25 -0.35 0.00 -2.00 0.00 0.00 55.36 53.00 3lqz s GLN 101 Cb -0.14 -1.75 -0.16 0.00 0.80 0.00 0.00 33.01 31.77 3lqz s GLN 101 CO 0.94 -0.53 1.07 -2.30 -0.50 0.00 0.00 175.29 173.97 3lqz n PRO 102 N 5.08 0.00 -3.97 1.67 -0.02 -1.26 -4.44 135.00 132.06 3lqz n PRO 102 Ca -0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.28 3lqz n PRO 102 Cb 0.48 -1.22 -0.02 0.00 -0.02 0.00 0.00 33.50 32.73 3lqz n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3lqz s ASN 103 N 1.14 0.46 -0.05 2.55 3.84 -0.61 -5.02 114.94 117.25 3lqz s ASN 103 Ca 0.79 -1.29 0.01 0.00 0.21 0.00 0.00 52.86 52.58 3lqz s ASN 103 Cb -1.12 0.73 0.02 0.00 -0.55 0.00 0.00 41.25 40.34 3lqz s ASN 103 CO 0.56 -1.44 -0.04 -0.89 -2.79 0.00 0.00 177.10 172.50 3lqz s THR 104 N -2.88 0.52 -0.06 -5.21 2.01 -1.26 -1.14 115.64 107.62 3lqz s THR 104 Ca 0.24 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 3lqz s THR 104 Cb -0.02 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 3lqz s THR 104 CO 0.16 0.23 0.57 -0.76 -0.69 0.00 0.00 174.62 174.13 3lqz s LEU 105 N 1.10 4.35 -0.16 4.42 1.43 0.78 -0.65 118.68 129.95 3lqz s LEU 105 Ca -0.08 1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3lqz s LEU 105 Cb -0.14 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 3lqz s LEU 105 CO -0.01 0.03 -0.05 -0.63 0.23 0.00 0.00 176.35 175.92 3lqz s ILE 106 N 0.26 3.72 -0.52 -0.59 1.01 0.27 -0.33 121.20 125.03 3lqz s ILE 106 Ca 0.30 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 3lqz s ILE 106 Cb -0.17 -2.63 0.14 0.00 0.01 0.00 0.00 42.46 39.80 3lqz s ILE 106 CO 0.15 0.48 0.35 0.00 0.00 0.00 0.00 174.94 175.92 3lqz s HIS 108 N 0.71 3.19 -0.23 0.00 5.04 0.49 -0.73 115.29 123.76 3lqz s HIS 108 Ca 0.11 0.48 -0.07 0.00 -1.54 0.00 0.00 55.06 54.05 3lqz s HIS 108 Cb -0.22 -3.01 -0.03 0.00 0.04 0.00 0.00 32.58 29.36 3lqz s HIS 108 CO -0.03 -0.51 0.06 0.42 -2.34 0.00 0.00 174.74 172.34 3lqz s ILE 109 N 2.61 4.42 0.28 0.89 1.01 -0.03 -1.45 121.20 128.92 3lqz s ILE 109 Ca 0.24 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.82 3lqz s ILE 109 Cb -0.15 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 3lqz s ILE 109 CO 0.13 0.37 -0.08 -0.62 0.00 0.00 0.00 174.94 174.74 3lqz s ASP 110 N 1.26 2.91 -1.30 3.58 -1.08 -0.10 -0.41 116.67 121.53 3lqz s ASP 110 Ca 0.05 -1.16 -0.00 0.00 -0.52 0.00 0.00 52.55 50.91 3lqz s ASP 110 Cb -0.15 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.12 3lqz s ASP 110 CO 0.03 -0.29 0.73 0.29 0.52 0.00 0.00 175.17 176.45 3lqz n LYS 111 N -0.59 -5.06 -4.27 4.34 5.02 -0.54 -1.25 118.16 115.81 3lqz n LYS 111 Ca -0.06 0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 56.68 3lqz n LYS 111 Cb 0.63 -5.24 -0.11 0.00 -0.02 0.00 0.00 35.03 30.29 3lqz n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3lqz s PHE 112 N -3.64 1.52 -0.21 2.13 -0.12 -0.94 -4.28 117.98 112.44 3lqz s PHE 112 Ca 0.01 -0.54 -0.18 0.00 -0.05 0.00 0.00 56.93 56.17 3lqz s PHE 112 Cb -0.01 -0.78 0.06 0.00 -0.63 0.00 0.00 43.02 41.66 3lqz s PHE 112 CO 0.81 0.20 0.56 0.12 -0.05 0.00 0.00 175.22 176.86 3lqz s PHE 113 N -2.17 -0.65 0.96 3.49 5.36 -0.68 -1.35 117.98 122.93 3lqz s PHE 113 Ca 0.11 1.55 -0.16 0.00 -0.96 0.00 0.00 56.93 57.47 3lqz s PHE 113 Cb -0.05 0.25 0.22 0.00 -0.34 0.00 0.00 43.02 43.11 3lqz s PHE 113 CO 0.04 -0.32 1.20 -0.35 -1.46 0.00 0.00 175.22 174.33 3lqz n PRO 114 N 3.02 -1.55 -2.70 10.12 -0.04 -1.26 0.44 135.00 143.03 3lqz n PRO 114 Ca -0.15 -1.87 -0.43 0.00 -0.04 0.00 0.00 63.50 61.01 3lqz n PRO 114 Cb 0.56 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 3lqz n PRO 114 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3lqz n PRO 115 N -3.82 3.65 -3.90 0.54 -0.04 -1.26 -4.88 135.00 125.29 3lqz n PRO 115 Ca 0.15 -3.84 -0.28 0.00 -0.04 0.00 0.00 63.50 59.50 3lqz n PRO 115 Cb 0.54 -2.88 -0.17 0.00 -0.04 0.00 0.00 33.50 30.96 3lqz n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3lqz s VAL 116 N 0.21 1.08 0.03 0.52 1.01 -1.26 -4.64 120.40 117.35 3lqz s VAL 116 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3lqz s VAL 116 Cb 0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3lqz s VAL 116 CO 0.01 0.25 -0.04 -0.76 0.00 0.00 0.00 175.10 174.56 3lqz s LEU 117 N 1.66 2.27 -0.17 3.92 1.43 -1.26 -4.56 118.68 121.97 3lqz s LEU 117 Ca 0.03 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3lqz s LEU 117 Cb -0.14 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.15 3lqz s LEU 117 CO -0.08 -0.31 -0.19 0.20 0.23 0.00 0.00 176.35 176.19 3lqz s ASN 118 N -1.67 3.23 -0.09 2.29 0.01 -0.68 -5.00 114.94 113.03 3lqz s ASN 118 Ca -0.12 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.43 3lqz s ASN 118 Cb -0.08 -1.49 0.02 0.00 0.41 0.00 0.00 41.25 40.11 3lqz s ASN 118 CO -0.02 0.02 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.81 3lqz s VAL 119 N 1.17 1.05 0.06 1.60 1.01 -1.26 0.22 120.40 124.25 3lqz s VAL 119 Ca 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3lqz s VAL 119 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3lqz s VAL 119 CO -0.09 0.36 -0.07 0.42 0.00 0.00 0.00 175.10 175.71 3lqz s THR 120 N 1.24 0.56 -0.02 3.92 -4.23 0.34 -5.02 115.64 112.42 3lqz s THR 120 Ca -0.04 -1.32 -0.09 0.00 -1.18 0.00 0.00 61.69 59.06 3lqz s THR 120 Cb -0.14 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.74 3lqz s THR 120 CO -0.03 -0.54 0.29 0.26 -0.54 0.00 0.00 174.62 174.06 3lqz s TRP 121 N -2.06 3.62 -0.14 3.99 0.52 -1.26 0.35 118.94 123.96 3lqz s TRP 121 Ca -0.04 0.70 0.01 0.00 0.02 0.00 0.00 56.10 56.79 3lqz s TRP 121 Cb -0.05 -2.07 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3lqz s TRP 121 CO -0.01 0.64 -0.17 -0.51 0.02 0.00 0.00 176.95 176.92 3lqz s LEU 122 N -1.41 1.84 -0.37 2.99 1.43 0.13 -2.61 118.68 120.67 3lqz s LEU 122 Ca 0.24 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3lqz s LEU 122 Cb -0.14 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 44.92 3lqz s LEU 122 CO 0.12 0.00 0.15 0.00 0.23 0.00 0.00 176.35 176.86 3lqz n ASN 124 N 4.72 -4.04 0.00 0.00 3.02 -0.72 -1.52 115.26 116.72 3lqz n ASN 124 Ca -0.09 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3lqz n ASN 124 Cb 0.43 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 3lqz n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lqz n GLY 125 N -1.63 2.91 3.73 7.41 0.00 -1.26 -5.03 105.19 111.32 3lqz n GLY 125 Ca 0.01 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3lqz n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lqz s GLU 126 N 0.00 4.54 0.02 1.61 2.02 -0.58 -4.88 118.70 121.43 3lqz s GLU 126 Ca 0.00 1.76 -0.30 0.00 0.02 0.00 0.00 54.97 56.45 3lqz s GLU 126 Cb 0.00 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 3lqz s GLU 126 CO 0.00 -0.02 1.34 -1.17 0.02 0.00 0.00 175.26 175.43 3lqz s LEU 127 N -0.12 4.33 0.16 1.80 2.96 -1.26 0.38 118.68 126.92 3lqz s LEU 127 Ca 0.52 2.08 -0.15 0.00 -0.22 0.00 0.00 54.13 56.35 3lqz s LEU 127 Cb -0.30 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.75 3lqz s LEU 127 CO 0.35 -0.65 0.58 -0.69 -1.32 0.00 0.00 176.35 174.62 3lqz s VAL 128 N 1.97 4.80 -0.01 1.68 1.01 -1.07 -4.95 120.40 123.82 3lqz s VAL 128 Ca 0.62 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 3lqz s VAL 128 Cb -0.31 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3lqz s VAL 128 CO 0.27 0.24 -0.03 0.41 0.00 0.00 0.00 175.10 175.99 3lqz n THR 129 N 0.81 0.24 -2.42 3.92 -1.04 -1.26 -4.80 114.28 109.73 3lqz n THR 129 Ca -0.05 0.26 -0.37 0.00 -2.04 0.00 0.00 64.05 61.85 3lqz n THR 129 Cb 0.52 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 3lqz n THR 129 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3lqz s GLU 130 N -1.26 4.09 0.00 -2.82 0.41 -1.26 -3.60 118.70 114.25 3lqz s GLU 130 Ca -0.03 1.66 0.00 0.00 -0.41 0.00 0.00 54.97 56.19 3lqz s GLU 130 Cb 0.00 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 3lqz s GLU 130 CO 0.04 -0.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 3lqz n GLY 131 N 0.48 0.34 3.75 -1.39 0.00 -1.26 -4.92 105.19 102.19 3lqz n GLY 131 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3lqz n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lqz s VAL 132 N -2.11 5.24 0.31 1.61 1.01 -1.24 -2.44 120.40 122.79 3lqz s VAL 132 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.73 3lqz s VAL 132 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3lqz s VAL 132 CO 0.00 0.40 0.29 0.00 0.00 0.00 0.00 175.10 175.80 3lqz s ALA 133 N 0.25 1.52 -0.19 5.51 0.00 -0.45 -5.00 121.76 123.40 3lqz s ALA 133 Ca 0.20 -1.90 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 3lqz s ALA 133 Cb -0.14 1.40 0.14 0.00 0.00 0.00 0.00 23.12 24.52 3lqz s ALA 133 CO 0.07 -0.68 1.07 -1.83 0.00 0.00 0.00 175.76 174.39 3lqz s GLU 134 N -3.50 0.49 0.86 0.00 -1.05 -1.26 -0.57 118.70 113.66 3lqz s GLU 134 Ca 0.38 0.14 -0.10 0.00 -0.15 0.00 0.00 54.97 55.24 3lqz s GLU 134 Cb 0.03 0.23 0.16 0.00 -0.44 0.00 0.00 34.13 34.11 3lqz s GLU 134 CO 0.24 -0.15 1.19 -1.54 0.95 0.00 0.00 175.26 175.95 3lqz s SER 135 N -1.03 3.69 0.67 0.83 1.04 -0.58 -5.02 113.70 113.30 3lqz s SER 135 Ca 0.00 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 3lqz s SER 135 Cb -0.01 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.82 3lqz s SER 135 CO -0.01 -2.34 1.05 -0.76 0.98 0.00 0.00 173.24 172.16 3lqz s LEU 136 N -5.59 3.04 -0.74 2.42 2.01 -1.26 -4.77 118.68 113.79 3lqz s LEU 136 Ca 0.70 1.13 -0.26 0.00 0.01 0.00 0.00 54.13 55.71 3lqz s LEU 136 Cb -0.05 -3.98 -0.13 0.00 0.01 0.00 0.00 46.19 42.04 3lqz s LEU 136 CO 0.49 -1.18 2.42 0.49 1.01 0.00 0.00 176.35 179.58 3lqz n PHE 137 N -2.87 1.19 -2.49 0.29 3.72 -1.26 -4.68 117.46 111.35 3lqz n PHE 137 Ca 0.06 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 3lqz n PHE 137 Cb 0.57 -2.59 -0.03 0.00 -0.94 0.00 0.00 39.48 36.48 3lqz n PHE 137 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3lqz s LEU 138 N 14.12 4.41 0.33 4.37 1.43 -0.57 -4.92 118.68 137.84 3lqz s LEU 138 Ca 0.95 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 55.79 3lqz s LEU 138 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 3lqz s LEU 138 CO 0.13 -0.36 0.93 -2.16 0.23 0.00 0.00 176.35 175.12 3lqz s PRO 139 N 0.55 4.53 0.29 1.29 0.04 -1.26 -1.69 135.00 138.75 3lqz s PRO 139 Ca 0.55 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.95 3lqz s PRO 139 Cb -0.28 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 3lqz s PRO 139 CO 0.31 0.26 0.03 0.50 0.04 0.00 0.00 177.00 178.14 3lqz s ARG 140 N -2.15 2.31 0.26 4.56 3.52 -0.18 -4.91 118.95 122.36 3lqz s ARG 140 Ca 0.51 -1.46 -0.09 0.00 -0.13 0.00 0.00 55.73 54.56 3lqz s ARG 140 Cb -0.18 -2.16 0.41 0.00 -1.56 0.00 0.00 34.95 31.46 3lqz s ARG 140 CO 0.23 0.30 1.59 1.15 -0.81 0.00 0.00 175.30 177.75 3lqz h THR 141 N 1.80 0.15 -0.32 4.11 2.02 -1.98 -2.05 112.91 116.63 3lqz h THR 141 Ca -0.44 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3lqz h THR 141 Cb 1.25 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3lqz h THR 141 CO 0.61 0.00 0.02 -0.90 0.37 0.00 0.00 175.52 175.62 3lqz n ASP 142 N -5.53 3.58 0.00 4.18 5.75 -1.26 -4.86 116.55 118.41 3lqz n ASP 142 Ca 0.14 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3lqz n ASP 142 Cb 0.46 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3lqz n ASP 142 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3lqz n TYR 143 N 0.31 0.00 -1.75 2.11 0.53 -0.77 -4.96 117.16 112.63 3lqz n TYR 143 Ca 0.16 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.81 3lqz n TYR 143 Cb 0.79 -1.52 0.16 0.00 -1.03 0.00 0.00 39.34 37.73 3lqz n TYR 143 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3lqz n SER 144 N -0.51 0.11 -4.20 7.72 2.88 -1.26 -4.83 113.62 113.53 3lqz n SER 144 Ca 0.00 -1.39 -0.12 0.00 -1.33 0.00 0.00 58.87 56.03 3lqz n SER 144 Cb 0.26 -0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 62.83 3lqz n SER 144 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3lqz s PHE 145 N -3.24 1.06 0.12 0.66 0.40 -0.46 -1.01 117.98 115.52 3lqz s PHE 145 Ca 0.59 -1.15 -0.17 0.00 -0.60 0.00 0.00 56.93 55.60 3lqz s PHE 145 Cb -0.02 -0.60 0.04 0.00 0.51 0.00 0.00 43.02 42.95 3lqz s PHE 145 CO 0.41 -0.39 0.42 -3.38 0.70 0.00 0.00 175.22 172.98 3lqz s HIS 146 N -3.88 -0.23 0.09 0.36 -3.43 -0.68 -1.46 115.29 106.07 3lqz s HIS 146 Ca 0.25 -0.07 -0.05 0.00 -0.80 0.00 0.00 55.06 54.40 3lqz s HIS 146 Cb 0.07 0.28 -0.02 0.00 -1.43 0.00 0.00 32.58 31.48 3lqz s HIS 146 CO 0.04 -0.71 0.12 0.21 -2.00 0.00 0.00 174.74 172.40 3lqz s LYS 147 N -3.75 0.83 -0.11 -0.38 2.20 0.45 -1.51 119.74 117.47 3lqz s LYS 147 Ca 0.02 -1.14 0.03 0.00 -0.36 0.00 0.00 55.97 54.52 3lqz s LYS 147 Cb 0.02 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 3lqz s LYS 147 CO -0.12 -0.24 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.38 3lqz s PHE 148 N -3.92 2.25 -0.15 4.03 0.08 -1.26 -0.85 117.98 118.16 3lqz s PHE 148 Ca 0.10 -1.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.12 3lqz s PHE 148 Cb 0.06 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 3lqz s PHE 148 CO -0.07 -0.47 -0.09 -1.01 -0.10 0.00 0.00 175.22 173.48 3lqz s HIS 149 N 0.72 2.91 -0.11 0.36 3.76 0.09 -1.52 115.29 121.49 3lqz s HIS 149 Ca -0.11 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 3lqz s HIS 149 Cb -0.16 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 3lqz s HIS 149 CO 0.02 -0.16 -0.07 0.71 -0.85 0.00 0.00 174.74 174.39 3lqz s TYR 150 N 0.43 2.94 -0.03 1.40 2.02 0.26 0.67 117.35 125.05 3lqz s TYR 150 Ca -0.07 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3lqz s TYR 150 Cb -0.15 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3lqz s TYR 150 CO 0.04 0.09 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.92 3lqz s LEU 151 N -0.17 1.43 -0.10 -1.29 2.96 0.55 -1.35 118.68 120.72 3lqz s LEU 151 Ca 0.02 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 3lqz s LEU 151 Cb -0.13 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 3lqz s LEU 151 CO 0.03 -0.05 0.25 0.42 -1.32 0.00 0.00 176.35 175.68 3lqz s THR 152 N 0.69 5.32 0.23 3.68 -4.23 -1.02 0.28 115.64 120.58 3lqz s THR 152 Ca -0.08 0.47 -0.18 0.00 -1.18 0.00 0.00 61.69 60.72 3lqz s THR 152 Cb -0.11 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.20 3lqz s THR 152 CO -0.01 0.54 0.58 0.72 -0.54 0.00 0.00 174.62 175.91 3lqz s PHE 153 N -0.61 -0.06 -0.29 3.99 -0.71 -0.29 -4.85 117.98 115.16 3lqz s PHE 153 Ca 0.17 -0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 55.69 3lqz s PHE 153 Cb -0.14 0.46 0.01 0.00 -1.21 0.00 0.00 43.02 42.14 3lqz s PHE 153 CO 0.06 -1.03 0.06 0.08 -1.34 0.00 0.00 175.22 173.05 3lqz s VAL 154 N -3.91 3.76 -0.87 -2.49 1.01 -1.26 -1.57 120.40 115.07 3lqz s VAL 154 Ca 0.12 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 3lqz s VAL 154 Cb -0.02 -2.94 -0.22 0.00 0.00 0.00 0.00 36.38 33.19 3lqz s VAL 154 CO 0.02 0.09 2.40 -2.65 0.00 0.00 0.00 175.10 174.96 3lqz n PRO 155 N 4.83 0.30 -2.65 2.72 -0.02 -1.26 -4.88 135.00 134.04 3lqz n PRO 155 Ca -0.15 -0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 60.83 3lqz n PRO 155 Cb 0.48 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3lqz n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3lqz s SER 156 N 6.80 6.51 0.04 2.55 0.15 -1.26 -2.09 113.70 126.40 3lqz s SER 156 Ca 1.18 1.25 -0.22 0.00 0.70 0.00 0.00 55.95 58.87 3lqz s SER 156 Cb -0.68 -2.38 -0.12 0.00 -1.71 0.00 0.00 66.02 61.14 3lqz s SER 156 CO 0.39 -0.50 1.34 0.00 1.20 0.00 0.00 173.24 175.67 3lqz h ALA 157 N 0.98 -1.17 -3.04 5.45 0.00 -2.01 -3.38 119.26 116.09 3lqz h ALA 157 Ca -0.47 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 53.60 3lqz h ALA 157 Cb 1.19 0.36 -0.27 0.00 0.00 0.00 0.00 17.79 19.08 3lqz h ALA 157 CO 0.63 -1.13 -0.64 -1.83 0.00 0.00 0.00 179.25 176.28 3lqz s GLU 158 N -4.76 3.09 0.00 0.00 1.03 -1.26 -4.91 118.70 111.89 3lqz s GLU 158 Ca -0.12 -0.85 0.00 0.00 0.03 0.00 0.00 54.97 54.03 3lqz s GLU 158 Cb 0.01 -3.32 0.00 0.00 -0.80 0.00 0.00 34.13 30.02 3lqz s GLU 158 CO 0.36 -0.42 0.00 -3.47 -1.33 0.00 0.00 175.26 170.39 3lqz n ASP 159 N 4.85 0.00 -4.44 0.83 -0.08 -1.26 -5.17 116.55 111.27 3lqz n ASP 159 Ca -0.15 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.87 3lqz n ASP 159 Cb 0.48 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.83 3lqz n ASP 159 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3lqz s PHE 160 N 0.00 2.30 -0.02 -0.67 -0.12 -1.26 -4.73 117.98 113.48 3lqz s PHE 160 Ca 0.00 -0.35 0.02 0.00 -0.05 0.00 0.00 56.93 56.56 3lqz s PHE 160 Cb 0.00 -1.08 0.00 0.00 -0.63 0.00 0.00 43.02 41.31 3lqz s PHE 160 CO 0.00 0.59 -0.08 0.71 -0.05 0.00 0.00 175.22 176.39 3lqz s TYR 161 N -2.01 0.82 -0.04 3.49 2.02 -0.86 -1.76 117.35 119.01 3lqz s TYR 161 Ca 0.24 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.82 3lqz s TYR 161 Cb -0.07 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 3lqz s TYR 161 CO 0.12 -0.08 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.29 3lqz s ASP 162 N 0.14 2.72 -0.66 2.29 1.01 0.21 0.42 116.67 122.81 3lqz s ASP 162 Ca -0.02 -0.44 -0.15 0.00 0.71 0.00 0.00 52.55 52.65 3lqz s ASP 162 Cb -0.07 -0.54 0.17 0.00 1.01 0.00 0.00 42.92 43.48 3lqz s ASP 162 CO 0.00 0.25 0.61 0.00 0.21 0.00 0.00 175.17 176.23 3lqz s ARG 164 N 0.99 4.50 -0.03 0.00 3.52 0.15 -3.63 118.95 124.46 3lqz s ARG 164 Ca 0.09 1.19 -0.01 0.00 -0.13 0.00 0.00 55.73 56.87 3lqz s ARG 164 Cb -0.22 -3.46 0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3lqz s ARG 164 CO -0.02 -0.02 0.04 0.08 -0.81 0.00 0.00 175.30 174.58 3lqz s VAL 165 N 0.98 -0.06 -0.08 7.11 1.01 -0.73 -0.51 120.40 128.13 3lqz s VAL 165 Ca 0.46 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3lqz s VAL 165 Cb -0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3lqz s VAL 165 CO 0.23 0.15 -0.21 -1.61 0.00 0.00 0.00 175.10 173.67 3lqz s GLU 166 N 1.76 2.85 -0.02 2.72 2.02 0.13 -2.13 118.70 126.04 3lqz s GLU 166 Ca -0.00 -0.83 -0.27 0.00 0.02 0.00 0.00 54.97 53.89 3lqz s GLU 166 Cb -0.12 -2.32 0.06 0.00 0.10 0.00 0.00 34.13 31.84 3lqz s GLU 166 CO -0.03 0.32 0.60 -1.58 0.02 0.00 0.00 175.26 174.59 3lqz s HIS 167 N 0.00 -0.54 0.44 1.61 2.46 -1.26 -1.69 115.29 116.31 3lqz s HIS 167 Ca -0.07 0.85 0.30 0.00 0.47 0.00 0.00 55.06 56.61 3lqz s HIS 167 Cb -0.15 0.36 1.62 0.00 -0.13 0.00 0.00 32.58 34.28 3lqz s HIS 167 CO 0.05 -0.60 2.13 -1.49 -2.47 0.00 0.00 174.74 172.36 3lqz h TRP 168 N 3.03 0.00 0.00 3.88 6.55 -1.95 -0.92 115.95 126.54 3lqz h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 3lqz h TRP 168 Cb 1.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 3lqz h TRP 168 CO 0.39 0.08 0.00 0.41 -1.05 0.00 0.00 178.44 178.27 3lqz n GLY 169 N -0.76 -1.13 0.00 1.49 0.00 -1.26 -4.70 105.19 98.82 3lqz n GLY 169 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3lqz n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3lqz n LEU 170 N -1.81 0.00 0.00 0.99 4.77 -0.35 -4.29 117.00 116.31 3lqz n LEU 170 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3lqz n LEU 170 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3lqz n LEU 170 CO 0.17 -0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.33 3lqz n ASP 171 N -0.00 0.00 -4.62 -1.43 5.75 -1.26 -4.97 116.55 110.02 3lqz n ASP 171 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 3lqz n ASP 171 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 3lqz n ASP 171 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3lqz s GLN 172 N -0.24 4.00 0.00 0.11 -1.52 -1.26 -5.01 119.66 115.74 3lqz s GLN 172 Ca 0.00 0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 53.91 3lqz s GLN 172 Cb 0.00 -3.74 -0.07 0.00 -0.22 0.00 0.00 33.01 28.98 3lqz s GLN 172 CO 0.00 -0.80 1.78 -1.25 -0.25 0.00 0.00 175.29 174.77 3lqz s PRO 173 N 3.30 4.17 -0.06 2.91 0.04 -1.26 -4.94 135.00 139.16 3lqz s PRO 173 Ca 0.39 2.39 -0.20 0.00 0.04 0.00 0.00 61.00 63.61 3lqz s PRO 173 Cb -0.13 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 3lqz s PRO 173 CO 0.14 -0.88 0.56 -1.17 0.04 0.00 0.00 177.00 175.70 3lqz s LEU 174 N 3.99 4.34 -0.14 -3.56 2.96 -0.90 -4.82 118.68 120.55 3lqz s LEU 174 Ca 0.80 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.75 3lqz s LEU 174 Cb -0.38 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.47 3lqz s LEU 174 CO 0.35 0.03 -0.20 -1.48 -1.32 0.00 0.00 176.35 173.73 3lqz s LEU 175 N 0.28 2.01 0.05 -0.68 -0.00 -1.26 -1.77 118.68 117.31 3lqz s LEU 175 Ca 0.30 -0.56 -0.27 0.00 -0.00 0.00 0.00 54.13 53.59 3lqz s LEU 175 Cb -0.17 -1.36 -0.05 0.00 -0.00 0.00 0.00 46.19 44.62 3lqz s LEU 175 CO 0.14 0.05 0.86 -0.54 -0.00 0.00 0.00 176.35 176.87 3lqz s LYS 176 N 0.92 4.57 0.61 1.48 -0.14 -1.24 -4.81 119.74 121.14 3lqz s LYS 176 Ca -0.05 1.24 -0.08 0.00 -1.36 0.00 0.00 55.97 55.72 3lqz s LYS 176 Cb -0.15 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 3lqz s LYS 176 CO -0.03 0.18 0.96 -1.58 -0.76 0.00 0.00 175.35 174.12 3lqz s HIS 177 N 0.23 3.35 -0.25 3.18 5.65 -1.26 -1.48 115.29 124.71 3lqz s HIS 177 Ca 0.44 0.85 -0.26 0.00 0.25 0.00 0.00 55.06 56.34 3lqz s HIS 177 Cb -0.21 -2.78 0.07 0.00 -1.18 0.00 0.00 32.58 28.47 3lqz s HIS 177 CO 0.26 -0.85 0.72 -0.46 -0.65 0.00 0.00 174.74 173.75 3lqz s TRP 178 N -3.09 -0.78 0.28 3.88 -0.00 0.17 -4.89 118.94 114.51 3lqz s TRP 178 Ca 0.54 1.86 -0.20 0.00 -0.00 0.00 0.00 56.10 58.30 3lqz s TRP 178 Cb -0.11 0.28 0.05 0.00 -0.00 0.00 0.00 33.47 33.69 3lqz s TRP 178 CO 0.48 -0.40 0.84 -1.83 -0.00 0.00 0.00 176.95 176.04 3lqz s GLU 179 N 0.24 1.77 0.51 5.86 -1.05 -1.26 -2.03 118.70 122.73 3lqz s GLU 179 Ca -0.01 -1.07 0.06 0.00 -0.15 0.00 0.00 54.97 53.80 3lqz s GLU 179 Cb -0.05 0.54 0.04 0.00 -0.44 0.00 0.00 34.13 34.23 3lqz s GLU 179 CO 0.02 -0.82 0.70 0.00 0.95 0.00 0.00 175.26 176.11 3lqz s ALA 180 N -2.98 4.33 -2.83 -0.84 0.00 -1.26 -5.13 121.76 113.05 3lqz s ALA 180 Ca 0.14 -1.67 0.23 0.00 0.00 0.00 0.00 51.96 50.66 3lqz s ALA 180 Cb -0.04 -1.75 0.18 0.00 0.00 0.00 0.00 23.12 21.51 3lqz s ALA 180 CO 0.07 -0.60 1.22 1.04 0.00 0.00 0.00 175.76 177.49