#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qj6 s VAL 17 N 0.00 5.37 -1.66 1.39 1.01 0.75 -4.18 120.40 123.08 1qj6 s VAL 17 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1qj6 s VAL 17 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1qj6 s VAL 17 CO 0.00 0.41 0.30 -0.62 0.00 0.00 0.00 175.10 175.19 1qj6 n GLU 18 N 3.66 -3.27 -0.36 2.72 -0.58 -1.26 -1.59 120.64 119.96 1qj6 n GLU 18 Ca -0.15 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1qj6 n GLU 18 Cb 0.52 -5.70 0.00 0.00 -0.57 0.00 0.00 31.44 25.69 1qj6 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qj6 n GLY 19 N -1.27 1.65 3.31 0.62 0.00 -1.26 -4.76 105.19 103.48 1qj6 n GLY 19 Ca -0.18 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 1qj6 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qj6 s SER 20 N -1.00 1.50 0.14 1.61 1.04 -0.45 -4.90 113.70 111.65 1qj6 s SER 20 Ca 0.00 -1.64 -0.30 0.00 0.48 0.00 0.00 55.95 54.49 1qj6 s SER 20 Cb 0.00 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.53 1qj6 s SER 20 CO 0.00 -0.97 1.25 -1.81 0.98 0.00 0.00 173.24 172.69 1qj6 s ASP 21 N -3.36 7.00 0.61 7.02 1.01 -1.26 -0.06 116.67 127.63 1qj6 s ASP 21 Ca 0.37 2.22 -0.18 0.00 0.71 0.00 0.00 52.55 55.67 1qj6 s ASP 21 Cb 0.04 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1qj6 s ASP 21 CO 0.21 -0.48 1.20 0.00 0.21 0.00 0.00 175.17 176.31 1qj6 s ALA 22 N 0.51 2.49 0.73 5.23 0.00 0.99 -4.79 121.76 126.92 1qj6 s ALA 22 Ca 0.57 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 1qj6 s ALA 22 Cb -0.33 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1qj6 s ALA 22 CO 0.33 -1.26 1.07 -1.21 0.00 0.00 0.00 175.76 174.70 1qj6 s GLU 23 N -3.46 2.66 0.25 0.00 2.02 -1.26 -4.95 118.70 113.97 1qj6 s GLU 23 Ca 0.76 0.94 -0.30 0.00 0.02 0.00 0.00 54.97 56.40 1qj6 s GLU 23 Cb -0.29 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 1qj6 s GLU 23 CO 0.35 -1.29 1.34 0.42 0.02 0.00 0.00 175.26 176.10 1qj6 s ILE 24 N -3.03 2.94 0.00 -1.63 1.01 -1.26 -2.33 121.20 116.90 1qj6 s ILE 24 Ca 0.59 0.82 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1qj6 s ILE 24 Cb -0.15 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1qj6 s ILE 24 CO 0.55 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1qj6 n GLY 25 N 1.89 0.41 0.30 6.18 0.00 -1.26 -4.88 105.19 107.83 1qj6 n GLY 25 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1qj6 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qj6 h MET 26 N 1.18 0.17 -2.01 1.61 -1.53 -1.84 -3.34 114.93 109.18 1qj6 h MET 26 Ca 0.00 -0.01 -0.55 0.00 -3.44 0.00 0.00 59.70 55.70 1qj6 h MET 26 Cb 0.11 -0.04 -0.39 0.00 -0.55 0.00 0.00 31.60 30.73 1qj6 h MET 26 CO 0.00 0.12 -1.11 0.45 0.14 0.00 0.00 176.91 176.51 1qj6 n SER 27 N -4.49 0.38 0.00 1.39 2.88 -1.26 -4.97 113.62 107.55 1qj6 n SER 27 Ca 0.02 -2.77 0.10 0.00 -1.33 0.00 0.00 58.87 54.90 1qj6 n SER 27 Cb 0.21 -0.64 0.61 0.00 -0.75 0.00 0.00 64.21 63.64 1qj6 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qj6 n PRO 28 N 1.20 0.59 0.00 -1.46 -0.04 -1.26 -1.73 135.00 132.31 1qj6 n PRO 28 Ca 0.22 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1qj6 n PRO 28 Cb 0.55 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.72 1qj6 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qj6 n TRP 29 N -1.06 0.00 -1.92 0.54 2.14 -1.08 -1.67 117.44 114.40 1qj6 n TRP 29 Ca 0.15 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.30 1qj6 n TRP 29 Cb 0.09 -0.21 -0.03 0.00 -0.81 0.00 0.00 31.31 30.35 1qj6 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1qj6 s GLN 30 N -2.98 4.21 0.05 -2.67 2.00 -0.70 -0.50 119.66 119.07 1qj6 s GLN 30 Ca 0.11 2.38 0.08 0.00 -2.00 0.00 0.00 55.36 55.93 1qj6 s GLN 30 Cb 0.17 -3.18 -0.03 0.00 0.80 0.00 0.00 33.01 30.77 1qj6 s GLN 30 CO 0.71 -0.63 -0.21 0.08 -0.50 0.00 0.00 175.29 174.74 1qj6 s VAL 31 N 1.25 2.57 -0.20 1.34 1.01 -0.45 -4.15 120.40 121.76 1qj6 s VAL 31 Ca 0.71 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1qj6 s VAL 31 Cb -0.44 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1qj6 s VAL 31 CO 0.31 0.31 0.10 -0.32 0.00 0.00 0.00 175.10 175.51 1qj6 s MET 32 N -1.48 4.04 -0.23 2.72 1.75 -0.21 -1.55 119.30 124.34 1qj6 s MET 32 Ca 0.14 -0.30 -0.22 0.00 -1.25 0.00 0.00 55.69 54.06 1qj6 s MET 32 Cb -0.10 -3.35 -0.02 0.00 2.84 0.00 0.00 34.83 34.20 1qj6 s MET 32 CO 0.05 0.20 0.70 -0.51 -0.65 0.00 0.00 175.02 174.81 1qj6 s LEU 33 N 0.61 4.10 -0.10 4.11 1.02 -0.04 -0.52 118.68 127.86 1qj6 s LEU 33 Ca 0.06 0.88 -0.00 0.00 0.02 0.00 0.00 54.13 55.08 1qj6 s LEU 33 Cb -0.12 -2.99 0.02 0.00 0.02 0.00 0.00 46.19 43.12 1qj6 s LEU 33 CO 0.01 -0.38 -0.07 0.12 0.02 0.00 0.00 176.35 176.05 1qj6 s PHE 34 N 2.38 1.31 0.15 0.29 5.36 0.13 -0.71 117.98 126.89 1qj6 s PHE 34 Ca 0.30 -0.60 -0.08 0.00 -0.96 0.00 0.00 56.93 55.60 1qj6 s PHE 34 Cb -0.16 -1.11 -0.06 0.00 -0.34 0.00 0.00 43.02 41.35 1qj6 s PHE 34 CO 0.09 -0.44 0.43 -0.98 -1.46 0.00 0.00 175.22 172.87 1qj6 s ARG 35 N 1.56 3.72 -0.96 10.12 1.70 0.15 -0.62 118.95 134.63 1qj6 s ARG 35 Ca 0.01 0.10 -0.01 0.00 -0.47 0.00 0.00 55.73 55.36 1qj6 s ARG 35 Cb -0.13 -2.84 0.31 0.00 -0.57 0.00 0.00 34.95 31.72 1qj6 s ARG 35 CO -0.06 0.45 1.44 0.36 -1.08 0.00 0.00 175.30 176.41 1qj6 n LYS 36 N 0.28 4.39 0.00 3.89 2.85 -1.21 -2.20 118.16 126.16 1qj6 n LYS 36 Ca -0.03 -4.64 0.00 0.00 -1.05 0.00 0.00 58.31 52.59 1qj6 n LYS 36 Cb 0.52 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 1qj6 n LYS 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1qj6 n SER 37 N 0.69 0.00 -4.77 -5.58 7.64 -1.26 -4.82 113.62 105.52 1qj6 n SER 37 Ca 0.33 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.85 1qj6 n SER 37 Cb 0.33 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1qj6 n SER 37 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1qj6 s PRO 37 N -0.38 3.59 -0.36 1.43 0.04 -1.26 -5.04 135.00 133.02 1qj6 s PRO 37 Ca 0.00 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 1qj6 s PRO 37 Cb 0.00 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1qj6 s PRO 37 CO 0.00 -0.68 2.28 -0.65 0.04 0.00 0.00 177.00 177.99 1qj6 s GLN 38 N -2.89 2.63 -0.01 4.56 1.11 -1.24 -4.63 119.66 119.20 1qj6 s GLN 38 Ca 0.67 1.67 -0.09 0.00 0.01 0.00 0.00 55.36 57.62 1qj6 s GLN 38 Cb -0.28 -4.47 0.01 0.00 -1.01 0.00 0.00 33.01 27.26 1qj6 s GLN 38 CO 0.33 -2.67 0.18 -1.83 0.01 0.00 0.00 175.29 171.30 1qj6 s GLU 39 N 7.25 0.51 -0.02 2.91 -1.05 -0.94 -4.98 118.70 122.38 1qj6 s GLU 39 Ca 0.97 -0.31 -0.30 0.00 -0.15 0.00 0.00 54.97 55.18 1qj6 s GLU 39 Cb -0.24 0.21 -0.07 0.00 -0.44 0.00 0.00 34.13 33.59 1qj6 s GLU 39 CO 0.30 -0.12 1.77 -1.17 0.95 0.00 0.00 175.26 176.99 1qj6 s LEU 40 N -1.27 4.36 -0.16 1.83 2.96 -1.26 0.33 118.68 125.45 1qj6 s LEU 40 Ca -0.14 2.39 -0.24 0.00 -0.22 0.00 0.00 54.13 55.92 1qj6 s LEU 40 Cb -0.07 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.86 1qj6 s LEU 40 CO 0.02 -0.98 0.50 -0.07 -1.32 0.00 0.00 176.35 174.50 1qj6 h LEU 41 N 10.41 0.06 -7.30 -0.68 3.38 -1.28 -3.47 115.31 116.43 1qj6 h LEU 41 Ca -0.43 -0.76 0.10 0.00 0.09 0.00 0.00 57.88 56.88 1qj6 h LEU 41 Cb 1.20 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 1qj6 h LEU 41 CO 0.95 1.30 0.40 0.00 0.09 0.00 0.00 178.44 181.19 1qj6 s GLY 43 N -2.71 1.77 0.23 0.00 0.00 -0.04 -0.86 107.32 105.71 1qj6 s GLY 43 Ca 0.07 -1.35 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 1qj6 s GLY 43 CO -0.05 -0.64 0.98 0.00 0.00 0.00 0.00 173.10 173.39 1qj6 s ALA 44 N -3.67 -1.40 0.02 3.20 0.00 -0.59 -3.66 121.76 115.66 1qj6 s ALA 44 Ca 0.72 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1qj6 s ALA 44 Cb -0.04 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1qj6 s ALA 44 CO 0.50 -1.05 -0.02 -1.54 0.00 0.00 0.00 175.76 173.66 1qj6 s SER 45 N -3.31 0.19 -0.31 0.00 1.04 0.19 -1.35 113.70 110.15 1qj6 s SER 45 Ca 0.20 -0.41 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 1qj6 s SER 45 Cb -0.03 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1qj6 s SER 45 CO 0.07 -0.26 0.77 -0.22 0.98 0.00 0.00 173.24 174.58 1qj6 s LEU 46 N -1.24 4.10 -0.00 2.42 0.20 0.35 -0.84 118.68 123.67 1qj6 s LEU 46 Ca -0.14 0.60 0.11 0.00 0.69 0.00 0.00 54.13 55.40 1qj6 s LEU 46 Cb -0.08 -3.04 -0.12 0.00 -0.43 0.00 0.00 46.19 42.51 1qj6 s LEU 46 CO -0.01 -0.61 0.48 2.30 -0.29 0.00 0.00 176.35 178.22 1qj6 n ILE 47 N 5.55 0.00 -2.86 6.68 -5.35 -0.73 -1.49 119.36 121.15 1qj6 n ILE 47 Ca 0.03 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1qj6 n ILE 47 Cb 0.48 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1qj6 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1qj6 n SER 48 N -1.28 0.00 0.10 7.28 3.41 -1.21 -4.71 113.62 117.22 1qj6 n SER 48 Ca 0.02 -0.65 0.11 0.00 -0.26 0.00 0.00 58.87 58.09 1qj6 n SER 48 Cb 0.18 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.58 1qj6 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qj6 n ASP 49 N -0.92 0.55 0.00 4.04 5.75 -1.26 -3.96 116.55 120.75 1qj6 n ASP 49 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.41 1qj6 n ASP 49 Cb 0.00 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 1qj6 n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1qj6 n ARG 50 N -2.10 1.47 -4.58 0.11 0.63 -1.26 -0.57 116.66 110.36 1qj6 n ARG 50 Ca 0.03 -0.24 -0.27 0.00 -0.92 0.00 0.00 57.85 56.44 1qj6 n ARG 50 Cb 0.23 -0.69 -0.17 0.00 0.45 0.00 0.00 32.46 32.28 1qj6 n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1qj6 s TRP 51 N -0.28 1.82 -0.06 -0.14 0.52 -1.25 -0.67 118.94 118.88 1qj6 s TRP 51 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 56.10 55.38 1qj6 s TRP 51 Cb 0.00 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.99 1qj6 s TRP 51 CO 0.00 -0.39 -0.15 0.08 0.02 0.00 0.00 176.95 176.50 1qj6 s VAL 52 N 0.81 2.94 -0.15 4.03 1.01 0.02 -1.78 120.40 127.28 1qj6 s VAL 52 Ca -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1qj6 s VAL 52 Cb -0.16 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1qj6 s VAL 52 CO 0.02 0.58 -0.01 -0.22 0.00 0.00 0.00 175.10 175.47 1qj6 s LEU 53 N -0.52 3.44 0.00 3.92 2.96 -0.02 -0.02 118.68 128.44 1qj6 s LEU 53 Ca 0.07 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1qj6 s LEU 53 Cb -0.12 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 1qj6 s LEU 53 CO 0.01 0.20 0.36 1.07 -1.32 0.00 0.00 176.35 176.67 1qj6 n THR 54 N 3.35 0.00 -2.96 3.68 5.66 -0.01 -0.64 114.28 123.36 1qj6 n THR 54 Ca -0.17 -1.63 -0.40 0.00 -3.05 0.00 0.00 64.05 58.80 1qj6 n THR 54 Cb 0.53 0.94 -0.05 0.00 -1.55 0.00 0.00 70.33 70.19 1qj6 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qj6 s ALA 55 N -2.73 3.39 0.42 1.79 0.00 -1.25 -1.91 121.76 121.47 1qj6 s ALA 55 Ca 0.27 0.34 0.12 0.00 0.00 0.00 0.00 51.96 52.68 1qj6 s ALA 55 Cb -0.00 -3.00 0.97 0.00 0.00 0.00 0.00 23.12 21.09 1qj6 s ALA 55 CO 0.19 0.15 1.99 0.00 0.00 0.00 0.00 175.76 178.09 1qj6 h ALA 56 N 5.13 1.93 0.00 0.00 0.00 -1.69 -2.47 119.26 122.16 1qj6 h ALA 56 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1qj6 h ALA 56 Cb 1.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1qj6 h ALA 56 CO 0.69 -0.05 -0.05 1.12 0.00 0.00 0.00 179.25 180.96 1qj6 h HIS 57 N 0.47 0.00 -0.34 0.00 2.07 -1.89 0.03 115.15 115.48 1qj6 h HIS 57 Ca 0.26 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.85 1qj6 h HIS 57 Cb 0.42 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.38 1qj6 h HIS 57 CO -0.00 0.05 0.24 0.00 -3.07 0.00 0.00 177.93 175.14 1qj6 n LEU 59 N -4.47 1.75 -3.72 0.00 4.77 -0.23 -4.84 117.00 110.26 1qj6 n LEU 59 Ca 0.04 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.67 1qj6 n LEU 59 Cb 0.29 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1qj6 n LEU 59 CO 0.35 0.69 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.52 1qj6 s LEU 60 N -5.88 1.36 0.15 2.23 0.20 -0.17 0.18 118.68 116.75 1qj6 s LEU 60 Ca -0.21 -1.02 -0.10 0.00 0.69 0.00 0.00 54.13 53.49 1qj6 s LEU 60 Cb 0.07 -0.64 0.00 0.00 -0.43 0.00 0.00 46.19 45.19 1qj6 s LEU 60 CO 0.60 -0.34 0.30 -0.47 -0.29 0.00 0.00 176.35 176.15 1qj6 s TYR 60 N 1.82 0.24 0.00 5.38 5.04 0.13 -4.19 117.35 125.77 1qj6 s TYR 60 Ca 0.02 -0.61 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1qj6 s TYR 60 Cb -0.17 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.16 1qj6 s TYR 60 CO -0.13 -0.70 0.00 -2.30 -1.34 0.00 0.00 175.55 171.07 1qj6 n PRO 60 N -0.20 0.00 -0.37 4.97 -0.02 -1.26 -2.07 135.00 136.05 1qj6 n PRO 60 Ca -0.10 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1qj6 n PRO 60 Cb 0.63 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 34.34 1qj6 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1qj6 n TRP 60 N 0.00 0.74 -3.95 6.00 8.01 -1.26 -4.96 117.44 122.02 1qj6 n TRP 60 Ca 0.00 -0.91 -0.31 0.00 -1.31 0.00 0.00 57.50 54.97 1qj6 n TRP 60 Cb 0.00 -0.28 -0.05 0.00 -2.01 0.00 0.00 31.31 28.97 1qj6 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1qj6 n ASP 60 N -0.73 -1.80 -4.66 -0.99 8.00 -1.19 -4.95 116.55 110.23 1qj6 n ASP 60 Ca 0.20 -0.75 -0.39 0.00 0.71 0.00 0.00 54.79 54.56 1qj6 n ASP 60 Cb 0.84 -1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 40.29 1qj6 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1qj6 s LYS 60 N -6.60 4.19 -0.47 -1.24 2.20 -0.88 -4.98 119.74 111.97 1qj6 s LYS 60 Ca 0.60 0.40 0.06 0.00 -0.36 0.00 0.00 55.97 56.68 1qj6 s LYS 60 Cb -0.35 -3.56 0.25 0.00 -1.51 0.00 0.00 37.83 32.66 1qj6 s LYS 60 CO 0.73 -0.14 0.81 -1.71 -0.36 0.00 0.00 175.35 174.69 1qj6 n ASN 60 N 4.76 -2.19 -4.73 1.43 5.15 -1.19 0.18 115.26 118.66 1qj6 n ASN 60 Ca -0.05 -3.18 -0.41 0.00 -0.60 0.00 0.00 54.58 50.34 1qj6 n ASN 60 Cb 0.50 1.28 -0.04 0.00 -0.53 0.00 0.00 39.78 40.99 1qj6 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1qj6 s PHE 60 N 0.25 3.75 0.55 1.20 0.08 0.13 -5.00 117.98 118.94 1qj6 s PHE 60 Ca 0.32 1.74 0.07 0.00 0.12 0.00 0.00 56.93 59.19 1qj6 s PHE 60 Cb 0.22 -3.12 0.06 0.00 -0.57 0.00 0.00 43.02 39.61 1qj6 s PHE 60 CO -0.21 -0.04 0.58 0.95 -0.10 0.00 0.00 175.22 176.40 1qj6 s THR 60 N -0.05 1.93 0.16 0.64 -4.23 -1.26 -4.85 115.64 107.98 1qj6 s THR 60 Ca 0.48 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.56 1qj6 s THR 60 Cb -0.25 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.46 1qj6 s THR 60 CO 0.31 0.00 1.70 -0.33 -0.54 0.00 0.00 174.62 175.76 1qj6 h GLU 61 N 0.50 0.10 0.00 3.99 3.07 -1.92 0.14 114.58 120.45 1qj6 h GLU 61 Ca -0.34 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1qj6 h GLU 61 Cb 1.29 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1qj6 h GLU 61 CO 0.50 0.06 0.00 0.09 -1.40 0.00 0.00 179.01 178.26 1qj6 n ASN 62 N -5.18 0.17 0.04 1.42 4.13 -1.26 -1.65 115.26 112.93 1qj6 n ASN 62 Ca 0.02 0.56 0.14 0.00 1.68 0.00 0.00 54.58 56.97 1qj6 n ASN 62 Cb 0.19 -0.59 0.53 0.00 -1.54 0.00 0.00 39.78 38.37 1qj6 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qj6 n ASP 63 N -1.70 0.32 -4.21 6.41 8.00 0.03 -4.92 116.55 120.48 1qj6 n ASP 63 Ca 0.02 0.53 -0.23 0.00 0.71 0.00 0.00 54.79 55.81 1qj6 n ASP 63 Cb 0.11 -0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 40.45 1qj6 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qj6 s LEU 64 N -3.60 2.17 -0.04 0.64 1.43 -0.66 -3.28 118.68 115.34 1qj6 s LEU 64 Ca 0.13 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1qj6 s LEU 64 Cb 0.16 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 1qj6 s LEU 64 CO 0.55 0.11 -0.17 -0.76 0.23 0.00 0.00 176.35 176.31 1qj6 s LEU 65 N -1.17 2.57 -0.13 1.79 1.43 0.21 -4.43 118.68 118.96 1qj6 s LEU 65 Ca 0.05 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1qj6 s LEU 65 Cb -0.08 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1qj6 s LEU 65 CO 0.02 0.34 0.39 -0.69 0.23 0.00 0.00 176.35 176.63 1qj6 s VAL 66 N -0.70 5.23 -0.16 -1.59 1.01 -0.36 -0.70 120.40 123.14 1qj6 s VAL 66 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1qj6 s VAL 66 Cb -0.10 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1qj6 s VAL 66 CO 0.00 0.38 -0.15 -0.13 0.00 0.00 0.00 175.10 175.20 1qj6 s ARG 67 N 0.40 3.21 -0.05 2.72 0.52 0.32 -0.54 118.95 125.54 1qj6 s ARG 67 Ca 0.21 -0.75 0.06 0.00 -0.52 0.00 0.00 55.73 54.73 1qj6 s ARG 67 Cb -0.14 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1qj6 s ARG 67 CO 0.08 -0.00 -0.22 0.42 0.02 0.00 0.00 175.30 175.59 1qj6 s ILE 68 N 0.86 2.35 0.00 1.52 1.01 0.76 -1.04 121.20 126.67 1qj6 s ILE 68 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1qj6 s ILE 68 Cb -0.15 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1qj6 s ILE 68 CO -0.01 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1qj6 n GLY 69 N 2.65 0.96 3.86 6.18 0.00 -1.26 0.49 105.19 118.08 1qj6 n GLY 69 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1qj6 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qj6 s LYS 70 N -0.86 3.89 0.11 1.61 1.02 -1.26 -4.38 119.74 119.88 1qj6 s LYS 70 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1qj6 s LYS 70 Cb 0.00 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1qj6 s LYS 70 CO 0.00 0.03 0.00 1.58 -0.92 0.00 0.00 175.35 176.04 1qj6 n HIS 71 N -0.92 -0.61 -1.84 3.18 -0.00 -1.26 -4.90 115.22 108.86 1qj6 n HIS 71 Ca 0.03 0.11 -0.42 0.00 -0.00 0.00 0.00 57.72 57.44 1qj6 n HIS 71 Cb 0.54 0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.69 1qj6 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1qj6 s SER 72 N -5.46 6.48 0.06 0.26 0.15 -1.26 -0.14 113.70 113.78 1qj6 s SER 72 Ca 0.00 2.78 -0.22 0.00 0.70 0.00 0.00 55.95 59.21 1qj6 s SER 72 Cb 0.00 -2.61 -0.13 0.00 -1.71 0.00 0.00 66.02 61.57 1qj6 s SER 72 CO 0.00 -0.88 1.53 -0.09 1.20 0.00 0.00 173.24 175.00 1qj6 h ARG 73 N 6.13 0.17 0.00 5.44 2.43 -0.93 -3.39 114.38 124.23 1qj6 h ARG 73 Ca -0.44 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.61 1qj6 h ARG 73 Cb 1.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1qj6 h ARG 73 CO 0.88 0.37 -2.04 0.25 -1.51 0.00 0.00 179.97 177.91 1qj6 n THR 74 N -4.86 0.26 -1.93 0.20 -2.24 -1.26 -4.96 114.28 99.49 1qj6 n THR 74 Ca -0.06 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 1qj6 n THR 74 Cb 0.16 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1qj6 n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1qj6 s ARG 75 N -3.28 4.22 -0.41 -0.78 3.52 -1.26 -4.98 118.95 115.97 1qj6 s ARG 75 Ca -0.08 2.41 -0.28 0.00 -0.13 0.00 0.00 55.73 57.64 1qj6 s ARG 75 Cb 0.12 -3.05 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1qj6 s ARG 75 CO 0.87 -0.45 1.56 -0.47 -0.81 0.00 0.00 175.30 176.00 1qj6 s TYR 76 N -0.47 2.16 -1.14 5.12 5.04 -1.26 -4.92 117.35 121.88 1qj6 s TYR 76 Ca 0.57 0.64 -0.17 0.00 -2.44 0.00 0.00 57.07 55.67 1qj6 s TYR 76 Cb -0.44 -4.25 0.13 0.00 0.35 0.00 0.00 41.96 37.75 1qj6 s TYR 76 CO 0.51 -2.32 1.43 -1.21 -1.34 0.00 0.00 175.55 172.61 1qj6 s GLU 77 N 5.31 3.90 0.24 4.97 2.02 -1.26 -4.88 118.70 129.01 1qj6 s GLU 77 Ca 0.67 -2.12 -0.06 0.00 0.02 0.00 0.00 54.97 53.48 1qj6 s GLU 77 Cb -0.16 -5.16 0.43 0.00 0.10 0.00 0.00 34.13 29.34 1qj6 s GLU 77 CO 0.32 -1.92 1.68 -0.09 0.02 0.00 0.00 175.26 175.27 1qj6 h ARG 77 N 7.91 0.22 -0.37 1.61 2.43 -1.92 0.44 114.38 124.70 1qj6 h ARG 77 Ca 0.29 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1qj6 h ARG 77 Cb 0.92 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1qj6 h ARG 77 CO 1.28 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 179.97 1qj6 n ASN 78 N -5.19 4.53 0.00 -3.80 5.03 -1.26 -4.69 115.26 109.89 1qj6 n ASN 78 Ca 0.13 -2.98 -0.02 0.00 0.87 0.00 0.00 54.58 52.58 1qj6 n ASN 78 Cb 0.44 -0.59 -0.01 0.00 -1.02 0.00 0.00 39.78 38.60 1qj6 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1qj6 n ILE 79 N -0.10 0.56 -2.28 2.41 5.41 -0.08 -5.05 119.36 120.24 1qj6 n ILE 79 Ca 0.24 0.12 -0.32 0.00 1.00 0.00 0.00 62.75 63.78 1qj6 n ILE 79 Cb 1.00 -1.59 -0.02 0.00 -0.71 0.00 0.00 39.64 38.32 1qj6 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1qj6 s GLU 80 N -2.07 3.79 -0.07 0.38 -1.05 -0.05 -4.78 118.70 114.86 1qj6 s GLU 80 Ca -0.04 0.98 0.05 0.00 -0.15 0.00 0.00 54.97 55.82 1qj6 s GLU 80 Cb 0.01 -2.11 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 1qj6 s GLU 80 CO 0.05 -0.41 -0.23 0.15 0.95 0.00 0.00 175.26 175.77 1qj6 s LYS 81 N -4.19 2.65 -0.14 -4.83 -0.14 0.18 -4.94 119.74 108.34 1qj6 s LYS 81 Ca 0.59 -0.87 -0.05 0.00 -1.36 0.00 0.00 55.97 54.29 1qj6 s LYS 81 Cb -0.11 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 1qj6 s LYS 81 CO 0.35 0.38 0.04 0.42 -0.76 0.00 0.00 175.35 175.77 1qj6 s ILE 82 N -0.14 4.62 0.09 2.17 1.01 -1.26 -0.17 121.20 127.53 1qj6 s ILE 82 Ca -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1qj6 s ILE 82 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1qj6 s ILE 82 CO 0.04 0.54 -0.09 -0.44 0.00 0.00 0.00 174.94 174.99 1qj6 s SER 83 N -0.25 1.34 0.20 3.58 0.01 0.30 -5.00 113.70 113.89 1qj6 s SER 83 Ca 0.07 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 56.54 1qj6 s SER 83 Cb -0.12 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1qj6 s SER 83 CO 0.02 -0.31 0.22 -0.04 0.41 0.00 0.00 173.24 173.54 1qj6 s MET 84 N -2.97 3.11 -0.12 12.44 -1.94 -1.26 -1.23 119.30 127.33 1qj6 s MET 84 Ca 0.06 -0.86 -0.08 0.00 -1.71 0.00 0.00 55.69 53.11 1qj6 s MET 84 Cb -0.01 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1qj6 s MET 84 CO -0.01 0.46 0.16 -0.51 -0.01 0.00 0.00 175.02 175.10 1qj6 s LEU 85 N -3.52 4.37 -0.22 -0.03 1.43 -1.26 0.03 118.68 119.48 1qj6 s LEU 85 Ca 0.33 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 54.00 1qj6 s LEU 85 Cb -0.09 -2.10 -0.21 0.00 0.03 0.00 0.00 46.19 43.81 1qj6 s LEU 85 CO 0.26 0.38 -0.05 -1.84 0.23 0.00 0.00 176.35 175.33 1qj6 n GLU 86 N 2.16 0.67 -3.78 1.70 0.28 0.18 -4.66 120.64 117.19 1qj6 n GLU 86 Ca -0.19 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.76 1qj6 n GLU 86 Cb 0.54 -1.53 -0.13 0.00 1.43 0.00 0.00 31.44 31.75 1qj6 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1qj6 s LYS 87 N -2.51 0.18 -0.13 3.44 2.36 -1.08 -4.95 119.74 117.05 1qj6 s LYS 87 Ca -0.21 0.33 -0.06 0.00 -2.55 0.00 0.00 55.97 53.48 1qj6 s LYS 87 Cb 0.07 -0.01 -0.04 0.00 -1.05 0.00 0.00 37.83 36.81 1qj6 s LYS 87 CO 0.72 -0.08 0.07 0.42 1.55 0.00 0.00 175.35 178.03 1qj6 s ILE 88 N 0.57 4.89 -0.19 5.43 1.01 -1.26 -0.48 121.20 131.17 1qj6 s ILE 88 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1qj6 s ILE 88 Cb -0.05 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.31 1qj6 s ILE 88 CO -0.03 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.02 1qj6 s TYR 89 N -0.46 2.54 -0.07 3.97 2.02 0.12 -5.02 117.35 120.46 1qj6 s TYR 89 Ca 0.10 -1.62 -0.05 0.00 -0.37 0.00 0.00 57.07 55.14 1qj6 s TYR 89 Cb -0.12 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1qj6 s TYR 89 CO 0.02 -0.76 0.15 0.42 -1.57 0.00 0.00 175.55 173.81 1qj6 s ILE 90 N 1.36 5.42 -0.05 2.71 1.01 -1.26 -0.96 121.20 129.42 1qj6 s ILE 90 Ca 0.00 0.01 -0.36 0.00 0.00 0.00 0.00 60.65 60.30 1qj6 s ILE 90 Cb -0.15 -3.44 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 1qj6 s ILE 90 CO -0.09 0.48 1.66 1.57 0.00 0.00 0.00 174.94 178.55 1qj6 n HIS 91 N 1.50 2.05 0.28 3.97 -0.00 -0.78 -4.81 115.22 117.43 1qj6 n HIS 91 Ca -0.16 0.36 0.19 0.00 -0.00 0.00 0.00 57.72 58.11 1qj6 n HIS 91 Cb 0.54 -2.50 1.02 0.00 -0.00 0.00 0.00 29.99 29.05 1qj6 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qj6 h PRO 92 N 6.90 0.00 -0.27 1.57 0.13 -1.95 -0.46 132.00 137.93 1qj6 h PRO 92 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1qj6 h PRO 92 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1qj6 h PRO 92 CO 0.90 0.00 -0.02 0.54 -0.23 0.00 0.00 178.00 179.19 1qj6 n ARG 93 N -2.82 2.36 -1.67 0.86 1.74 -1.26 -5.00 116.66 110.87 1qj6 n ARG 93 Ca -0.02 -2.94 -0.47 0.00 -0.77 0.00 0.00 57.85 53.64 1qj6 n ARG 93 Cb 0.06 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 1qj6 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1qj6 n TYR 94 N -0.83 2.27 -3.25 -1.55 9.36 -0.18 -4.71 117.16 118.26 1qj6 n TYR 94 Ca 0.25 0.18 -0.45 0.00 3.32 0.00 0.00 57.90 61.21 1qj6 n TYR 94 Cb 0.92 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 1qj6 n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1qj6 n ASN 95 N 4.61 5.67 0.16 2.98 2.85 0.85 -4.82 115.26 127.56 1qj6 n ASN 95 Ca 0.19 -3.10 0.13 0.00 -0.11 0.00 0.00 54.58 51.69 1qj6 n ASN 95 Cb 0.29 -1.37 0.42 0.00 1.24 0.00 0.00 39.78 40.36 1qj6 n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1qj6 h TRP 96 N 6.44 0.00 -0.26 1.20 5.08 -1.91 0.16 115.95 126.65 1qj6 h TRP 96 Ca 0.19 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.01 1qj6 h TRP 96 Cb 0.82 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.98 1qj6 h TRP 96 CO 0.82 0.00 -0.47 0.00 -1.28 0.00 0.00 178.44 177.51 1qj6 h ARG 97 N 0.00 0.68 0.00 0.12 3.08 -2.00 -3.44 114.38 112.83 1qj6 h ARG 97 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1qj6 h ARG 97 Cb 0.67 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1qj6 h ARG 97 CO 0.00 1.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.99 1qj6 n GLU 97 N -4.01 0.00 -0.10 0.04 2.13 -1.23 -5.00 120.64 112.47 1qj6 n GLU 97 Ca -0.03 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.81 1qj6 n GLU 97 Cb 0.57 -0.23 0.02 0.00 0.27 0.00 0.00 31.44 32.06 1qj6 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1qj6 n ASN 98 N -2.42 0.92 -2.92 4.31 6.94 -1.12 -4.98 115.26 115.99 1qj6 n ASN 98 Ca 0.00 -1.76 -0.22 0.00 -0.02 0.00 0.00 54.58 52.58 1qj6 n ASN 98 Cb 0.00 -0.09 0.03 0.00 -2.36 0.00 0.00 39.78 37.35 1qj6 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qj6 n LEU 99 N -0.35 -2.51 -4.75 -4.53 4.77 0.54 -4.98 117.00 105.19 1qj6 n LEU 99 Ca 0.02 -0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 1qj6 n LEU 99 Cb 0.48 -2.95 -0.03 0.00 -2.33 0.00 0.00 43.42 38.60 1qj6 n LEU 99 CO 0.00 0.15 0.98 -0.62 -1.33 0.00 0.00 177.39 176.57 1qj6 s ASP 100 N -2.58 6.86 -1.14 -1.43 2.15 -1.24 -3.02 116.67 116.27 1qj6 s ASP 100 Ca 0.25 2.52 -0.02 0.00 0.43 0.00 0.00 52.55 55.73 1qj6 s ASP 100 Cb -0.11 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1qj6 s ASP 100 CO 0.31 -0.51 0.97 0.54 -0.17 0.00 0.00 175.17 176.31 1qj6 n ARG 101 N 1.78 -6.45 -2.11 4.34 1.74 -1.26 -0.11 116.66 114.59 1qj6 n ARG 101 Ca 0.03 0.77 -0.41 0.00 -0.77 0.00 0.00 57.85 57.48 1qj6 n ARG 101 Cb 0.42 -5.60 -0.01 0.00 -1.02 0.00 0.00 32.46 26.25 1qj6 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1qj6 n ASP 102 N -2.87 4.16 -3.80 0.55 2.03 -1.17 -4.26 116.55 111.20 1qj6 n ASP 102 Ca -0.19 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1qj6 n ASP 102 Cb 0.63 -1.66 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 1qj6 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qj6 s ILE 103 N 4.76 0.05 -0.16 5.18 2.07 -1.26 -3.66 121.20 128.17 1qj6 s ILE 103 Ca 0.54 -0.40 -0.24 0.00 -1.41 0.00 0.00 60.65 59.14 1qj6 s ILE 103 Cb 0.08 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.22 1qj6 s ILE 103 CO 0.03 -0.22 0.61 0.00 -1.91 0.00 0.00 174.94 173.46 1qj6 s ALA 104 N -0.94 -1.54 -0.13 1.50 0.00 -0.80 -1.86 121.76 117.98 1qj6 s ALA 104 Ca -0.10 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1qj6 s ALA 104 Cb -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1qj6 s ALA 104 CO 0.02 -0.31 -0.04 -0.51 0.00 0.00 0.00 175.76 174.92 1qj6 s LEU 105 N -0.24 3.24 -0.14 0.00 1.43 -0.13 -0.83 118.68 122.01 1qj6 s LEU 105 Ca -0.04 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1qj6 s LEU 105 Cb -0.03 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1qj6 s LEU 105 CO 0.04 0.23 -0.14 -0.04 0.23 0.00 0.00 176.35 176.67 1qj6 s MET 106 N 0.01 3.33 -0.17 1.70 -1.94 0.96 0.11 119.30 123.30 1qj6 s MET 106 Ca 0.00 -0.71 -0.20 0.00 -1.71 0.00 0.00 55.69 53.07 1qj6 s MET 106 Cb -0.13 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 1qj6 s MET 106 CO 0.03 0.14 0.59 0.21 -0.01 0.00 0.00 175.02 175.98 1qj6 s LYS 107 N 0.52 4.25 0.36 2.03 2.20 0.37 -0.80 119.74 128.67 1qj6 s LYS 107 Ca -0.09 0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 55.86 1qj6 s LYS 107 Cb -0.16 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.52 1qj6 s LYS 107 CO 0.04 -0.13 0.92 -0.51 -0.36 0.00 0.00 175.35 175.31 1qj6 s LEU 108 N 1.56 4.15 0.39 5.43 1.43 0.16 0.50 118.68 132.30 1qj6 s LEU 108 Ca 0.28 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 1qj6 s LEU 108 Cb -0.16 -4.22 0.80 0.00 0.03 0.00 0.00 46.19 42.64 1qj6 s LEU 108 CO 0.11 -0.19 2.03 0.50 0.23 0.00 0.00 176.35 179.02 1qj6 h LYS 109 N 2.59 0.57 -3.08 1.70 3.64 -0.67 -3.41 116.57 117.91 1qj6 h LYS 109 Ca -0.48 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.76 1qj6 h LYS 109 Cb 1.19 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.70 1qj6 h LYS 109 CO 0.63 0.41 -0.19 -1.59 -2.27 0.00 0.00 179.45 176.43 1qj6 s LYS 110 N -5.45 0.81 0.57 1.90 -2.85 -1.26 -4.95 119.74 108.50 1qj6 s LYS 110 Ca -0.08 -0.34 -0.20 0.00 -1.00 0.00 0.00 55.97 54.35 1qj6 s LYS 110 Cb 0.17 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1qj6 s LYS 110 CO 0.74 -0.26 1.29 -2.14 0.10 0.00 0.00 175.35 175.08 1qj6 s PRO 111 N -2.10 3.06 0.27 1.78 0.02 -1.26 -4.92 135.00 131.84 1qj6 s PRO 111 Ca -0.08 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.85 1qj6 s PRO 111 Cb -0.02 -2.12 -0.08 0.00 0.02 0.00 0.00 34.50 32.30 1qj6 s PRO 111 CO -0.00 -1.19 0.66 0.14 -0.33 0.00 0.00 177.00 176.28 1qj6 s VAL 112 N -1.42 4.75 0.06 3.83 -7.23 0.26 -5.01 120.40 115.65 1qj6 s VAL 112 Ca 0.74 0.84 -0.21 0.00 -1.81 0.00 0.00 61.98 61.54 1qj6 s VAL 112 Cb -0.36 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 32.86 1qj6 s VAL 112 CO 0.41 -0.07 0.63 0.00 -0.31 0.00 0.00 175.10 175.76 1qj6 s ALA 113 N -1.83 3.52 0.72 1.32 0.00 -1.26 -4.82 121.76 119.40 1qj6 s ALA 113 Ca 0.49 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1qj6 s ALA 113 Cb -0.12 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.27 1qj6 s ALA 113 CO 0.19 0.28 1.07 -0.06 0.00 0.00 0.00 175.76 177.24 1qj6 s PHE 114 N -0.74 2.92 0.06 0.00 0.08 -1.26 -4.89 117.98 114.14 1qj6 s PHE 114 Ca 0.31 1.47 -0.02 0.00 0.12 0.00 0.00 56.93 58.82 1qj6 s PHE 114 Cb -0.20 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1qj6 s PHE 114 CO 0.20 -1.42 0.12 -1.13 -0.10 0.00 0.00 175.22 172.88 1qj6 n SER 115 N -3.20 -0.35 0.28 1.36 3.41 -0.62 -4.95 113.62 109.55 1qj6 n SER 115 Ca 0.08 -1.26 0.19 0.00 -0.26 0.00 0.00 58.87 57.62 1qj6 n SER 115 Cb 0.53 0.58 0.96 0.00 -0.26 0.00 0.00 64.21 66.02 1qj6 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qj6 h ASP 116 N 0.31 0.00 0.00 4.04 3.32 -2.00 -3.18 116.42 118.91 1qj6 h ASP 116 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1qj6 h ASP 116 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1qj6 h ASP 116 CO 0.07 0.00 -0.75 -1.22 -1.72 0.00 0.00 179.24 175.61 1qj6 n TYR 117 N -2.83 0.00 -3.85 4.55 4.01 -1.26 -4.74 117.16 113.04 1qj6 n TYR 117 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1qj6 n TYR 117 Cb 0.10 -0.06 -0.16 0.00 -0.31 0.00 0.00 39.34 38.90 1qj6 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1qj6 s ILE 118 N -2.20 1.01 -0.28 -0.72 1.01 -1.20 -4.22 121.20 114.60 1qj6 s ILE 118 Ca 0.02 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1qj6 s ILE 118 Cb 0.08 -1.32 0.08 0.00 0.01 0.00 0.00 42.46 41.31 1qj6 s ILE 118 CO 0.44 -0.04 0.69 -2.28 0.00 0.00 0.00 174.94 173.75 1qj6 s HIS 119 N 1.65 -1.03 0.63 3.97 2.46 -0.67 -1.58 115.29 120.73 1qj6 s HIS 119 Ca -0.02 2.10 -0.15 0.00 0.47 0.00 0.00 55.06 57.47 1qj6 s HIS 119 Cb -0.17 0.59 -0.01 0.00 -0.13 0.00 0.00 32.58 32.86 1qj6 s HIS 119 CO -0.07 -0.51 1.08 -1.25 -2.47 0.00 0.00 174.74 171.52 1qj6 s PRO 120 N 1.47 3.04 0.32 2.88 0.04 -1.26 -2.63 135.00 138.86 1qj6 s PRO 120 Ca -0.09 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1qj6 s PRO 120 Cb -0.05 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1qj6 s PRO 120 CO -0.17 -1.04 0.54 0.54 0.04 0.00 0.00 177.00 176.91 1qj6 s VAL 121 N -2.48 5.09 0.33 -0.36 0.11 -0.56 -4.90 120.40 117.64 1qj6 s VAL 121 Ca 0.64 -0.28 -0.15 0.00 -2.93 0.00 0.00 61.98 59.26 1qj6 s VAL 121 Cb -0.18 -3.81 -0.09 0.00 -1.53 0.00 0.00 36.38 30.77 1qj6 s VAL 121 CO 0.41 -0.45 0.75 0.00 -3.33 0.00 0.00 175.10 172.48 1qj6 s LEU 123 N -3.01 4.30 0.51 0.00 1.43 -1.26 -0.76 118.68 119.89 1qj6 s LEU 123 Ca 0.55 0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 54.37 1qj6 s LEU 123 Cb -0.10 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 1qj6 s LEU 123 CO 0.17 0.09 1.00 -2.16 0.23 0.00 0.00 176.35 175.68 1qj6 s PRO 124 N -2.18 3.85 0.50 1.29 0.04 -1.26 -4.91 135.00 132.34 1qj6 s PRO 124 Ca 0.38 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.55 1qj6 s PRO 124 Cb -0.14 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1qj6 s PRO 124 CO 0.20 -0.36 0.69 0.16 0.04 0.00 0.00 177.00 177.73 1qj6 s ASP 125 N -2.72 5.40 0.23 6.66 1.47 -1.26 -4.85 116.67 121.59 1qj6 s ASP 125 Ca 0.61 -0.27 -0.15 0.00 1.18 0.00 0.00 52.55 53.93 1qj6 s ASP 125 Cb -0.12 -0.66 0.27 0.00 -0.34 0.00 0.00 42.92 42.07 1qj6 s ASP 125 CO 0.28 -1.02 1.58 -0.09 0.68 0.00 0.00 175.17 176.60 1qj6 h ARG 126 N 0.31 -0.04 0.00 2.11 9.65 -1.97 -2.51 114.38 121.92 1qj6 h ARG 126 Ca -0.40 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.38 1qj6 h ARG 126 Cb 1.29 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.86 1qj6 h ARG 126 CO 0.48 -0.03 -0.49 0.93 2.80 0.00 0.00 179.97 183.65 1qj6 h GLU 127 N -0.05 0.00 -0.86 0.20 4.39 -2.04 0.14 114.58 116.36 1qj6 h GLU 127 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1qj6 h GLU 127 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1qj6 h GLU 127 CO -0.84 0.49 0.00 2.41 -1.16 0.00 0.00 179.01 179.92 1qj6 n THR 128 N -3.38 0.16 0.00 1.13 -1.04 -0.95 -2.04 114.28 108.17 1qj6 n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1qj6 n THR 128 Cb 0.65 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1qj6 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qj6 n ALA 129 N 0.48 0.00 0.07 2.41 0.00 0.50 -1.56 120.51 122.41 1qj6 n ALA 129 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1qj6 n ALA 129 Cb 0.15 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.77 1qj6 n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1qj6 h SER 129 N 0.00 0.32 0.00 0.00 0.02 -1.66 -3.36 113.55 108.87 1qj6 h SER 129 Ca 0.00 -0.15 -0.30 0.00 -0.84 0.00 0.00 61.79 60.51 1qj6 h SER 129 Cb 0.00 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.39 1qj6 h SER 129 CO 0.00 0.74 -2.26 0.18 -1.14 0.00 0.00 176.83 174.34 1qj6 n LEU 129 N -3.99 0.00 -4.06 5.07 4.32 -0.60 -4.63 117.00 113.10 1qj6 n LEU 129 Ca -0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.55 1qj6 n LEU 129 Cb 0.52 0.40 -0.00 0.00 -1.62 0.00 0.00 43.42 42.71 1qj6 n LEU 129 CO 0.43 0.40 2.38 0.18 -1.22 0.00 0.00 177.39 179.56 1qj6 n LEU 130 N -2.64 5.96 -4.10 2.23 4.77 -1.26 -4.84 117.00 117.13 1qj6 n LEU 130 Ca -0.27 -3.99 -0.20 0.00 -0.03 0.00 0.00 56.01 51.52 1qj6 n LEU 130 Cb 1.03 -1.67 -0.14 0.00 -2.33 0.00 0.00 43.42 40.31 1qj6 n LEU 130 CO 0.41 0.63 -0.46 -1.10 -1.33 0.00 0.00 177.39 175.55 1qj6 s GLN 131 N 3.72 0.96 0.30 3.23 -0.21 -1.26 -4.96 119.66 121.44 1qj6 s GLN 131 Ca 0.50 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1qj6 s GLN 131 Cb 0.10 -0.93 -0.12 0.00 1.00 0.00 0.00 33.01 33.05 1qj6 s GLN 131 CO -0.01 0.25 1.46 0.00 -2.12 0.00 0.00 175.29 174.86 1qj6 n ALA 132 N 2.47 1.84 0.00 6.09 0.00 -1.26 -1.82 120.51 127.83 1qj6 n ALA 132 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1qj6 n ALA 132 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1qj6 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qj6 n GLY 133 N 1.58 3.14 3.74 0.00 0.00 0.49 -4.94 105.19 109.20 1qj6 n GLY 133 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1qj6 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qj6 s TYR 134 N -2.80 3.64 0.06 1.61 1.51 -0.76 -4.65 117.35 115.96 1qj6 s TYR 134 Ca 0.00 1.65 -0.18 0.00 -1.01 0.00 0.00 57.07 57.53 1qj6 s TYR 134 Cb 0.00 -3.24 -0.06 0.00 -0.11 0.00 0.00 41.96 38.55 1qj6 s TYR 134 CO 0.00 -0.46 0.53 0.15 -1.11 0.00 0.00 175.55 174.66 1qj6 s LYS 135 N -0.53 4.14 0.44 -0.62 1.02 -1.26 -0.76 119.74 122.17 1qj6 s LYS 135 Ca 0.48 0.66 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1qj6 s LYS 135 Cb -0.29 -3.24 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1qj6 s LYS 135 CO 0.35 0.65 0.01 0.41 -0.92 0.00 0.00 175.35 175.84 1qj6 n GLY 136 N 1.75 3.63 3.06 -3.33 0.00 -0.11 -4.83 105.19 105.35 1qj6 n GLY 136 Ca -0.11 -2.34 -0.22 0.00 0.00 0.00 0.00 46.02 43.34 1qj6 n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qj6 s ARG 137 N -3.59 1.23 -0.02 1.61 3.52 -0.03 -0.37 118.95 121.30 1qj6 s ARG 137 Ca 0.01 -0.42 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1qj6 s ARG 137 Cb 0.00 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 1qj6 s ARG 137 CO 0.01 0.18 -0.24 0.08 -0.81 0.00 0.00 175.30 174.51 1qj6 s VAL 138 N 0.08 1.89 0.06 7.11 1.01 0.21 -0.48 120.40 130.28 1qj6 s VAL 138 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1qj6 s VAL 138 Cb -0.09 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1qj6 s VAL 138 CO 0.01 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 175.95 1qj6 s THR 139 N -0.55 0.91 0.00 3.92 -4.23 -1.24 -1.07 115.64 113.39 1qj6 s THR 139 Ca 0.09 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1qj6 s THR 139 Cb -0.09 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1qj6 s THR 139 CO -0.01 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1qj6 n GLY 140 N 1.42 -0.21 1.15 3.99 0.00 -0.82 -4.61 105.19 106.11 1qj6 n GLY 140 Ca -0.21 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 44.78 1qj6 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qj6 n TRP 141 N -0.41 1.24 -1.78 1.61 8.01 -1.26 -2.14 117.44 122.71 1qj6 n TRP 141 Ca 0.00 -1.09 -0.18 0.00 -1.31 0.00 0.00 57.50 54.91 1qj6 n TRP 141 Cb 0.00 -0.42 0.12 0.00 -2.01 0.00 0.00 31.31 29.00 1qj6 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qj6 n GLY 142 N -0.58 -0.97 3.75 6.99 0.00 -1.26 -4.62 105.19 108.50 1qj6 n GLY 142 Ca 0.27 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 1qj6 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qj6 s ASN 143 N -4.09 5.23 0.00 1.61 0.02 0.43 -2.81 114.94 115.34 1qj6 s ASN 143 Ca 0.48 2.61 0.27 0.00 -1.02 0.00 0.00 52.86 55.20 1qj6 s ASN 143 Cb -0.02 -2.62 0.93 0.00 0.02 0.00 0.00 41.25 39.56 1qj6 s ASN 143 CO 0.33 -1.58 1.68 0.18 0.02 0.00 0.00 177.10 177.73 1qj6 n LEU 144 N -1.24 0.64 -3.46 0.60 4.77 0.00 -1.07 117.00 117.24 1qj6 n LEU 144 Ca 0.12 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1qj6 n LEU 144 Cb 0.47 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1qj6 n LEU 144 CO 0.49 0.13 0.44 -0.75 -1.33 0.00 0.00 177.39 176.37 1qj6 s LYS 145 N -2.62 1.16 -0.12 3.23 2.20 -1.26 -4.45 119.74 117.88 1qj6 s LYS 145 Ca 0.23 -0.19 -0.37 0.00 -0.36 0.00 0.00 55.97 55.28 1qj6 s LYS 145 Cb 0.19 0.54 -0.15 0.00 -1.51 0.00 0.00 37.83 36.90 1qj6 s LYS 145 CO 0.54 -0.46 1.69 -1.91 -0.36 0.00 0.00 175.35 174.85 1qj6 n GLU 146 N 0.11 1.52 -0.00 4.03 2.13 -1.26 -4.47 120.64 122.70 1qj6 n GLU 146 Ca -0.17 0.55 0.01 0.00 0.66 0.00 0.00 57.16 58.21 1qj6 n GLU 146 Cb 0.62 -2.28 -0.01 0.00 0.27 0.00 0.00 31.44 30.04 1qj6 n GLU 146 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1qj6 n THR 147 N 4.25 0.00 -1.30 6.31 -2.24 -1.26 -1.54 114.28 118.50 1qj6 n THR 147 Ca 0.23 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.29 1qj6 n THR 147 Cb 0.20 0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 1qj6 n THR 147 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1qj6 n TRP 148 N -1.07 1.47 0.00 4.78 8.01 -1.26 -2.42 117.44 126.95 1qj6 n TRP 148 Ca 0.00 -2.36 0.00 0.00 -1.31 0.00 0.00 57.50 53.84 1qj6 n TRP 148 Cb 0.03 -1.97 0.00 0.00 -2.01 0.00 0.00 31.31 27.35 1qj6 n TRP 148 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1qj6 n THR 149 N 2.67 0.00 -1.71 -0.99 -2.24 -1.26 -4.98 114.28 105.77 1qj6 n THR 149 Ca 0.61 0.00 -0.63 0.00 -2.27 0.00 0.00 64.05 61.75 1qj6 n THR 149 Cb 0.52 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 1qj6 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qj6 n ALA 149 N 0.00 -1.17 -2.63 6.98 0.00 -1.01 -4.75 120.51 117.92 1qj6 n ALA 149 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.69 1qj6 n ALA 149 Cb 0.00 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 1qj6 n ALA 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qj6 s ASN 149 N 2.80 4.82 0.00 0.00 0.01 -0.59 -4.93 114.94 117.06 1qj6 s ASN 149 Ca 1.01 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 1qj6 s ASN 149 Cb -1.32 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1qj6 s ASN 149 CO 0.73 -0.13 0.00 1.33 -1.51 0.00 0.00 177.10 177.52 1qj6 n VAL 149 N -1.06 0.00 0.00 1.60 0.24 -1.26 -4.40 118.33 113.44 1qj6 n VAL 149 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1qj6 n VAL 149 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1qj6 n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qj6 n GLY 149 N 5.00 1.16 0.00 7.63 0.00 -1.26 -3.59 105.19 114.13 1qj6 n GLY 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qj6 n GLY 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qj6 n LYS 149 N -1.70 0.00 0.00 1.61 4.81 -1.26 -5.11 118.16 116.50 1qj6 n LYS 149 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1qj6 n LYS 149 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1qj6 n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qj6 n GLY 150 N 0.00 1.84 3.16 3.14 0.00 -1.24 -4.90 105.19 107.20 1qj6 n GLY 150 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1qj6 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qj6 s GLN 151 N 0.00 1.19 0.60 1.61 -0.21 -1.26 -0.82 119.66 120.77 1qj6 s GLN 151 Ca 0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 1qj6 s GLN 151 Cb 0.00 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.82 1qj6 s GLN 151 CO 0.00 0.32 0.92 -1.25 -2.12 0.00 0.00 175.29 173.16 1qj6 s PRO 152 N -0.72 2.96 0.08 2.91 0.04 -1.26 -4.95 135.00 134.06 1qj6 s PRO 152 Ca 0.05 0.08 0.17 0.00 0.04 0.00 0.00 61.00 61.35 1qj6 s PRO 152 Cb -0.07 -2.24 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 1qj6 s PRO 152 CO 0.00 -0.71 0.86 0.66 0.04 0.00 0.00 177.00 177.86 1qj6 h SER 153 N -0.22 0.00 -4.22 6.66 4.64 -1.97 -3.43 113.55 115.01 1qj6 h SER 153 Ca -0.45 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.44 1qj6 h SER 153 Cb 1.25 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.14 1qj6 h SER 153 CO 0.61 0.52 -0.77 -0.69 -0.87 0.00 0.00 176.83 175.63 1qj6 s VAL 154 N -2.97 1.29 -0.11 0.95 1.01 -1.26 -0.30 120.40 119.02 1qj6 s VAL 154 Ca -0.02 -1.55 -0.41 0.00 0.00 0.00 0.00 61.98 59.99 1qj6 s VAL 154 Cb 0.09 -1.37 -0.20 0.00 0.00 0.00 0.00 36.38 34.90 1qj6 s VAL 154 CO 0.81 -0.31 1.21 -0.11 0.00 0.00 0.00 175.10 176.69 1qj6 n LEU 155 N 0.86 0.35 -4.71 3.92 7.94 0.80 -4.83 117.00 121.32 1qj6 n LEU 155 Ca -0.18 1.16 -0.25 0.00 -1.11 0.00 0.00 56.01 55.63 1qj6 n LEU 155 Cb 0.56 -0.92 -0.07 0.00 0.53 0.00 0.00 43.42 43.52 1qj6 n LEU 155 CO 0.24 -1.62 -0.28 -1.10 -1.11 0.00 0.00 177.39 173.52 1qj6 s GLN 156 N 0.72 2.57 0.00 1.96 -1.52 -0.91 -0.01 119.66 122.48 1qj6 s GLN 156 Ca 0.94 -1.10 0.04 0.00 -1.95 0.00 0.00 55.36 53.29 1qj6 s GLN 156 Cb -1.31 -2.42 -0.01 0.00 -0.22 0.00 0.00 33.01 29.05 1qj6 s GLN 156 CO 0.62 0.44 -0.11 0.54 -0.25 0.00 0.00 175.29 176.53 1qj6 s VAL 157 N -1.89 0.89 0.01 1.09 0.11 0.91 -1.94 120.40 119.57 1qj6 s VAL 157 Ca 0.30 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1qj6 s VAL 157 Cb -0.09 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1qj6 s VAL 157 CO 0.21 0.19 -0.01 0.54 -3.33 0.00 0.00 175.10 172.69 1qj6 s VAL 158 N -0.38 0.07 -0.22 2.04 0.11 -0.23 -1.33 120.40 120.46 1qj6 s VAL 158 Ca 0.03 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 1qj6 s VAL 158 Cb -0.05 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1qj6 s VAL 158 CO -0.00 -0.12 0.10 0.20 -3.33 0.00 0.00 175.10 171.95 1qj6 s ASN 159 N -0.41 5.73 0.02 3.54 0.01 -1.26 -0.62 114.94 121.95 1qj6 s ASN 159 Ca -0.04 0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.20 1qj6 s ASN 159 Cb -0.03 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1qj6 s ASN 159 CO -0.00 0.09 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.76 1qj6 s LEU 160 N 0.90 2.11 0.35 0.60 1.43 0.50 -4.90 118.68 119.66 1qj6 s LEU 160 Ca 0.05 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 52.50 1qj6 s LEU 160 Cb -0.13 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.28 1qj6 s LEU 160 CO 0.03 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 1qj6 s PRO 161 N -0.83 4.36 0.35 1.29 0.04 -1.26 -0.94 135.00 138.01 1qj6 s PRO 161 Ca 0.04 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1qj6 s PRO 161 Cb -0.07 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.52 1qj6 s PRO 161 CO 0.01 -0.02 1.23 0.42 0.04 0.00 0.00 177.00 178.68 1qj6 s ILE 162 N -1.39 2.96 0.03 0.56 1.01 0.06 -0.97 121.20 123.46 1qj6 s ILE 162 Ca 0.52 0.91 0.03 0.00 0.00 0.00 0.00 60.65 62.10 1qj6 s ILE 162 Cb -0.28 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1qj6 s ILE 162 CO 0.36 0.18 -0.00 -0.69 0.00 0.00 0.00 174.94 174.78 1qj6 s VAL 163 N -1.23 4.09 0.12 2.92 1.01 -0.45 -0.38 120.40 126.49 1qj6 s VAL 163 Ca 0.51 -0.74 -0.35 0.00 0.00 0.00 0.00 61.98 61.41 1qj6 s VAL 163 Cb -0.36 -2.86 -0.16 0.00 0.00 0.00 0.00 36.38 33.00 1qj6 s VAL 163 CO 0.46 0.29 1.23 -0.62 0.00 0.00 0.00 175.10 176.47 1qj6 n GLU 164 N 1.13 1.08 -0.34 2.72 4.71 -1.26 -4.62 120.64 124.06 1qj6 n GLU 164 Ca -0.13 0.39 0.15 0.00 -0.01 0.00 0.00 57.16 57.56 1qj6 n GLU 164 Cb 0.52 -1.95 0.35 0.00 -1.01 0.00 0.00 31.44 29.36 1qj6 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qj6 h ARG 165 N 3.88 0.59 -0.63 3.49 3.08 -1.97 -1.63 114.38 121.19 1qj6 h ARG 165 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1qj6 h ARG 165 Cb 1.35 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1qj6 h ARG 165 CO 0.73 0.39 0.41 -1.35 -1.07 0.00 0.00 179.97 179.09 1qj6 h PRO 166 N 0.61 0.84 -0.21 0.04 0.11 -1.99 -1.01 132.00 130.39 1qj6 h PRO 166 Ca 0.61 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.58 1qj6 h PRO 166 Cb 1.09 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1qj6 h PRO 166 CO -0.45 0.57 -0.24 -0.24 -0.21 0.00 0.00 178.00 177.43 1qj6 h VAL 167 N 0.86 1.25 0.22 3.15 3.04 -1.69 -0.59 116.25 122.50 1qj6 h VAL 167 Ca 0.23 -1.19 0.01 0.00 -1.01 0.00 0.00 66.70 64.74 1qj6 h VAL 167 Cb -0.08 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 1qj6 h VAL 167 CO -0.05 0.37 -0.35 0.00 -1.01 0.00 0.00 177.57 176.54 1qj6 h LYS 169 N -0.64 1.05 0.00 0.00 -0.00 -0.98 -2.63 116.57 113.37 1qj6 h LYS 169 Ca 0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 60.65 60.44 1qj6 h LYS 169 Cb 0.63 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.70 1qj6 h LYS 169 CO -0.14 0.89 0.00 -0.25 -0.00 0.00 0.00 179.45 179.95 1qj6 n ASP 170 N -4.27 0.00 -0.28 7.07 8.00 -0.25 -3.00 116.55 123.83 1qj6 n ASP 170 Ca 0.06 -0.57 0.11 0.00 0.71 0.00 0.00 54.79 55.09 1qj6 n ASP 170 Cb 0.22 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.39 1qj6 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qj6 n SER 171 N -0.99 1.44 -3.88 -2.24 3.41 -0.98 -5.00 113.62 105.38 1qj6 n SER 171 Ca 0.13 -1.15 -0.09 0.00 -0.26 0.00 0.00 58.87 57.50 1qj6 n SER 171 Cb 0.06 0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 1qj6 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qj6 s THR 172 N -2.66 0.13 -0.97 6.66 -1.32 -1.16 -4.87 115.64 111.46 1qj6 s THR 172 Ca 0.16 -1.11 0.25 0.00 -1.21 0.00 0.00 61.69 59.78 1qj6 s THR 172 Cb 0.18 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1qj6 s THR 172 CO 0.65 -0.61 1.35 0.54 -2.21 0.00 0.00 174.62 174.34 1qj6 n ARG 173 N 0.31 0.03 -2.15 7.08 1.74 -1.26 -4.93 116.66 117.47 1qj6 n ARG 173 Ca -0.17 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.51 1qj6 n ARG 173 Cb 0.61 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1qj6 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qj6 s ILE 174 N -3.02 2.93 -0.29 0.55 -1.09 -1.26 -4.97 121.20 114.05 1qj6 s ILE 174 Ca 0.10 0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 59.06 1qj6 s ILE 174 Cb 0.17 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 1qj6 s ILE 174 CO 0.72 0.15 1.78 -0.60 -1.23 0.00 0.00 174.94 175.75 1qj6 s ARG 175 N -0.73 3.45 0.06 2.79 3.52 -1.26 -4.99 118.95 121.79 1qj6 s ARG 175 Ca 0.55 1.53 -0.30 0.00 -0.13 0.00 0.00 55.73 57.37 1qj6 s ARG 175 Cb -0.39 -4.17 -0.05 0.00 -1.56 0.00 0.00 34.95 28.79 1qj6 s ARG 175 CO 0.44 -1.72 1.06 0.42 -0.81 0.00 0.00 175.30 174.69 1qj6 s ILE 176 N 6.50 4.41 0.48 4.11 -1.09 -1.26 -4.90 121.20 129.44 1qj6 s ILE 176 Ca 0.79 1.81 0.07 0.00 -2.23 0.00 0.00 60.65 61.09 1qj6 s ILE 176 Cb -0.24 -4.16 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 1qj6 s ILE 176 CO 0.33 0.19 0.48 0.42 -1.23 0.00 0.00 174.94 175.12 1qj6 s THR 177 N 0.69 2.34 0.44 2.92 -4.23 -1.26 -5.00 115.64 111.54 1qj6 s THR 177 Ca 0.53 -1.29 0.37 0.00 -1.18 0.00 0.00 61.69 60.12 1qj6 s THR 177 Cb -0.25 -2.63 0.39 0.00 1.34 0.00 0.00 72.50 71.35 1qj6 s THR 177 CO 0.30 0.00 2.19 0.44 -0.54 0.00 0.00 174.62 177.00 1qj6 h ASP 178 N 0.77 0.00 0.00 3.99 3.32 -2.03 -2.76 116.42 119.71 1qj6 h ASP 178 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1qj6 h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1qj6 h ASP 178 CO 0.53 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.67 1qj6 n ASN 179 N -3.26 0.21 -4.23 6.45 3.02 -1.26 -4.80 115.26 111.40 1qj6 n ASN 179 Ca -0.02 -1.92 -0.16 0.00 -0.03 0.00 0.00 54.58 52.45 1qj6 n ASN 179 Cb 0.18 -0.11 -0.11 0.00 -0.61 0.00 0.00 39.78 39.14 1qj6 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qj6 s MET 180 N -1.78 0.99 0.13 3.52 -1.94 -1.04 -0.41 119.30 118.77 1qj6 s MET 180 Ca 0.00 -1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 52.71 1qj6 s MET 180 Cb 0.00 -0.75 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 1qj6 s MET 180 CO 0.00 0.13 0.04 -0.59 -0.01 0.00 0.00 175.02 174.59 1qj6 s PHE 181 N -2.48 0.88 0.26 -0.03 -0.12 -0.76 -4.80 117.98 110.92 1qj6 s PHE 181 Ca 0.10 -1.18 0.12 0.00 -0.05 0.00 0.00 56.93 55.91 1qj6 s PHE 181 Cb -0.03 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.81 1qj6 s PHE 181 CO 0.02 -0.45 -0.18 0.00 -0.05 0.00 0.00 175.22 174.55 1qj6 s ALA 183 N -2.32 -0.31 0.00 0.00 0.00 0.04 -1.34 121.76 117.84 1qj6 s ALA 183 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1qj6 s ALA 183 Cb -0.06 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1qj6 s ALA 183 CO 0.15 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1qj6 n GLY 184 N 1.33 3.47 3.81 0.00 0.00 -0.14 -1.94 105.19 111.71 1qj6 n GLY 184 Ca -0.22 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1qj6 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qj6 s TYR 184 N -2.00 3.51 0.53 1.61 2.02 -1.26 -4.51 117.35 117.25 1qj6 s TYR 184 Ca 0.00 1.59 -0.17 0.00 -0.37 0.00 0.00 57.07 58.12 1qj6 s TYR 184 Cb 0.00 -2.80 -0.07 0.00 -0.40 0.00 0.00 41.96 38.69 1qj6 s TYR 184 CO 0.00 0.11 1.01 0.15 -1.57 0.00 0.00 175.55 175.25 1qj6 s LYS 185 N -2.54 3.74 0.31 -0.62 1.02 -1.26 -4.80 119.74 115.59 1qj6 s LYS 185 Ca 0.54 1.12 0.08 0.00 0.02 0.00 0.00 55.97 57.73 1qj6 s LYS 185 Cb -0.14 -2.10 0.85 0.00 -0.52 0.00 0.00 37.83 35.93 1qj6 s LYS 185 CO 0.19 -0.45 1.73 -1.35 -0.92 0.00 0.00 175.35 174.54 1qj6 h PRO 186 N 0.95 0.54 0.00 -1.68 0.11 -1.96 -0.96 132.00 129.01 1qj6 h PRO 186 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1qj6 h PRO 186 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1qj6 h PRO 186 CO 0.60 0.36 -0.40 0.38 -0.21 0.00 0.00 178.00 178.73 1qj6 h ASP 186 N 0.56 0.00 0.10 -2.05 2.03 -1.97 -3.37 116.42 111.73 1qj6 h ASP 186 Ca 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.93 1qj6 h ASP 186 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1qj6 h ASP 186 CO -0.48 0.40 0.00 -0.62 -1.03 0.00 0.00 179.24 177.51 1qj6 n GLU 186 N -4.06 0.53 0.00 4.15 1.02 -0.36 -4.87 120.64 117.05 1qj6 n GLU 186 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1qj6 n GLU 186 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1qj6 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qj6 n GLY 186 N 0.27 2.21 3.79 0.62 0.00 -1.26 -4.97 105.19 105.85 1qj6 n GLY 186 Ca 0.13 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1qj6 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qj6 s LYS 186 N 0.00 3.89 0.45 1.61 1.02 -1.26 -5.09 119.74 120.37 1qj6 s LYS 186 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 55.97 57.48 1qj6 s LYS 186 Cb 0.00 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1qj6 s LYS 186 CO 0.00 -0.37 0.14 0.54 -0.92 0.00 0.00 175.35 174.74 1qj6 n ARG 187 N -0.62 0.88 0.00 1.68 1.74 -1.26 -4.73 116.66 114.35 1qj6 n ARG 187 Ca 0.08 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 1qj6 n ARG 187 Cb 0.51 0.63 0.00 0.00 -1.02 0.00 0.00 32.46 32.58 1qj6 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qj6 n GLY 188 N -0.40 4.45 3.54 -0.13 0.00 -1.26 -4.92 105.19 106.47 1qj6 n GLY 188 Ca -0.12 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 1qj6 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qj6 s ASP 189 N 0.00 -0.33 1.07 1.61 2.15 -0.62 -4.66 116.67 115.89 1qj6 s ASP 189 Ca 0.00 -0.06 -0.15 0.00 0.43 0.00 0.00 52.55 52.77 1qj6 s ASP 189 Cb 0.00 0.40 0.22 0.00 -0.30 0.00 0.00 42.92 43.24 1qj6 s ASP 189 CO 0.00 -0.66 1.11 0.00 -0.17 0.00 0.00 175.17 175.45 1qj6 s ALA 190 N -3.13 0.88 0.28 3.66 0.00 -1.26 -0.18 121.76 122.01 1qj6 s ALA 190 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1qj6 s ALA 190 Cb -0.01 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1qj6 s ALA 190 CO -0.07 -3.08 0.53 0.00 0.00 0.00 0.00 175.76 173.13 1qj6 n GLU 192 N -0.40 1.86 0.00 0.00 2.13 -1.26 -2.32 120.64 120.66 1qj6 n GLU 192 Ca -0.05 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1qj6 n GLU 192 Cb 0.43 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.53 1qj6 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qj6 n GLY 193 N 0.69 2.65 0.10 8.31 0.00 -1.26 -0.42 105.19 115.25 1qj6 n GLY 193 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1qj6 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qj6 h ASP 194 N 0.00 0.00 -3.48 1.61 3.32 -1.79 -3.27 116.42 112.81 1qj6 h ASP 194 Ca 0.00 -0.08 -0.57 0.00 0.02 0.00 0.00 57.03 56.40 1qj6 h ASP 194 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1qj6 h ASP 194 CO 0.00 0.04 0.34 -1.20 -1.72 0.00 0.00 179.24 176.70 1qj6 n SER 195 N -2.49 1.84 0.00 6.45 7.64 -1.26 -2.45 113.62 123.35 1qj6 n SER 195 Ca 0.01 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1qj6 n SER 195 Cb 0.51 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1qj6 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qj6 n GLY 196 N 1.01 3.21 3.95 0.23 0.00 0.34 -0.86 105.19 113.06 1qj6 n GLY 196 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1qj6 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qj6 s GLY 197 N -2.07 1.75 0.16 -0.02 0.00 -1.03 -3.57 107.32 102.54 1qj6 s GLY 197 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 1qj6 s GLY 197 CO 0.00 -0.72 1.06 2.56 0.00 0.00 0.00 173.10 176.00 1qj6 s PRO 198 N -5.42 4.63 -0.29 2.90 0.04 -1.26 -0.37 135.00 135.23 1qj6 s PRO 198 Ca 0.67 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 1qj6 s PRO 198 Cb -0.07 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1qj6 s PRO 198 CO 0.47 0.12 0.14 0.12 0.04 0.00 0.00 177.00 177.90 1qj6 s PHE 199 N -0.22 3.16 0.13 0.56 2.19 -0.17 -3.70 117.98 119.94 1qj6 s PHE 199 Ca 0.49 -0.31 0.11 0.00 0.33 0.00 0.00 56.93 57.54 1qj6 s PHE 199 Cb -0.28 -2.33 -0.04 0.00 -1.31 0.00 0.00 43.02 39.06 1qj6 s PHE 199 CO 0.34 -0.34 -0.26 0.14 1.83 0.00 0.00 175.22 176.93 1qj6 s VAL 200 N 1.66 2.18 0.11 3.12 -7.23 0.37 -0.62 120.40 119.99 1qj6 s VAL 200 Ca 0.06 -1.75 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 1qj6 s VAL 200 Cb -0.16 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1qj6 s VAL 200 CO 0.07 0.04 -0.16 -0.04 -0.31 0.00 0.00 175.10 174.71 1qj6 s MET 201 N -2.10 1.01 -0.21 4.82 -1.94 0.17 -0.85 119.30 120.19 1qj6 s MET 201 Ca 0.13 -1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 52.83 1qj6 s MET 201 Cb -0.10 -1.00 -0.05 0.00 2.01 0.00 0.00 34.83 35.69 1qj6 s MET 201 CO 0.06 0.21 0.19 0.21 -0.01 0.00 0.00 175.02 175.68 1qj6 s LYS 202 N -2.31 4.16 0.11 2.03 2.20 -1.26 -0.91 119.74 123.75 1qj6 s LYS 202 Ca 0.06 -0.15 -0.31 0.00 -0.36 0.00 0.00 55.97 55.22 1qj6 s LYS 202 Cb -0.07 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.70 1qj6 s LYS 202 CO 0.03 0.17 1.32 0.45 -0.36 0.00 0.00 175.35 176.96 1qj6 s SER 203 N 0.70 6.92 0.00 1.43 0.15 0.88 -4.90 113.70 118.88 1qj6 s SER 203 Ca 0.10 2.23 0.22 0.00 0.70 0.00 0.00 55.95 59.20 1qj6 s SER 203 Cb -0.13 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.58 1qj6 s SER 203 CO 0.02 -0.57 1.69 -0.81 1.20 0.00 0.00 173.24 174.77 1qj6 n PRO 204 N 3.78 0.12 -0.06 5.44 -0.04 -1.26 -0.80 135.00 142.18 1qj6 n PRO 204 Ca 0.10 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 1qj6 n PRO 204 Cb 0.44 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 1qj6 n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qj6 n PHE 204 N -1.42 0.82 -0.07 0.54 3.72 -1.26 -4.59 117.46 115.20 1qj6 n PHE 204 Ca 0.07 0.21 0.01 0.00 -0.05 0.00 0.00 57.45 57.69 1qj6 n PHE 204 Cb 0.22 -1.10 0.02 0.00 -0.94 0.00 0.00 39.48 37.68 1qj6 n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qj6 n ASN 204 N -3.66 2.10 -0.37 4.37 2.04 -1.25 -5.02 115.26 113.47 1qj6 n ASN 204 Ca -0.37 -2.05 -0.05 0.00 -0.44 0.00 0.00 54.58 51.66 1qj6 n ASN 204 Cb 0.96 -0.04 -0.02 0.00 -2.53 0.00 0.00 39.78 38.15 1qj6 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1qj6 n ASN 205 N -0.46 -5.65 -4.91 0.53 3.02 0.02 -4.99 115.26 102.81 1qj6 n ASN 205 Ca 0.02 0.12 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 1qj6 n ASN 205 Cb 0.28 -3.58 -0.04 0.00 -0.61 0.00 0.00 39.78 35.84 1qj6 n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qj6 s ARG 206 N -2.29 3.57 -0.10 3.52 0.52 -1.26 -4.78 118.95 118.13 1qj6 s ARG 206 Ca 0.00 -0.21 -0.21 0.00 -0.52 0.00 0.00 55.73 54.79 1qj6 s ARG 206 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1qj6 s ARG 206 CO 0.00 0.39 0.58 -1.58 0.02 0.00 0.00 175.30 174.71 1qj6 s TRP 207 N -1.84 3.54 -0.06 -0.53 0.52 -1.26 -0.09 118.94 119.22 1qj6 s TRP 207 Ca 0.40 1.05 0.06 0.00 0.02 0.00 0.00 56.10 57.63 1qj6 s TRP 207 Cb -0.11 -2.67 -0.01 0.00 -1.15 0.00 0.00 33.47 29.53 1qj6 s TRP 207 CO 0.28 0.12 -0.25 0.71 0.02 0.00 0.00 176.95 177.84 1qj6 s TYR 208 N 0.74 2.45 -0.55 -1.98 2.02 -0.08 -2.54 117.35 117.40 1qj6 s TYR 208 Ca 0.31 -0.70 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 1qj6 s TYR 208 Cb -0.16 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1qj6 s TYR 208 CO 0.14 -0.20 1.05 -1.14 -1.57 0.00 0.00 175.55 173.83 1qj6 s GLN 209 N -0.19 3.45 0.01 -0.62 0.74 0.06 -0.66 119.66 122.45 1qj6 s GLN 209 Ca -0.03 0.03 0.15 0.00 0.05 0.00 0.00 55.36 55.57 1qj6 s GLN 209 Cb -0.14 -4.02 -0.18 0.00 1.10 0.00 0.00 33.01 29.78 1qj6 s GLN 209 CO 0.03 -1.53 0.74 -1.33 -0.55 0.00 0.00 175.29 172.65 1qj6 n MET 210 N 7.84 0.63 -4.21 1.67 2.81 0.21 -4.34 117.12 121.73 1qj6 n MET 210 Ca 0.05 0.24 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 1qj6 n MET 210 Cb 0.48 -1.79 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 1qj6 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qj6 s GLY 211 N -4.93 1.33 -0.09 3.03 0.00 -0.89 -2.08 107.32 103.69 1qj6 s GLY 211 Ca -0.04 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.06 1qj6 s GLY 211 CO 0.82 -1.44 -0.16 -0.42 0.00 0.00 0.00 173.10 171.90 1qj6 s ILE 212 N -4.00 2.82 -0.12 0.90 1.01 -1.09 -0.99 121.20 119.72 1qj6 s ILE 212 Ca 0.33 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1qj6 s ILE 212 Cb 0.07 -2.13 -0.07 0.00 0.01 0.00 0.00 42.46 40.34 1qj6 s ILE 212 CO 0.08 0.56 2.11 0.52 0.00 0.00 0.00 174.94 178.21 1qj6 n VAL 213 N 3.05 0.52 0.00 2.92 0.31 0.49 -1.30 118.33 124.32 1qj6 n VAL 213 Ca -0.18 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 63.82 1qj6 n VAL 213 Cb 0.52 -2.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.06 1qj6 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qj6 n SER 214 N 9.72 1.05 -3.90 4.52 2.88 -0.44 -0.50 113.62 126.94 1qj6 n SER 214 Ca 0.26 0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.87 1qj6 n SER 214 Cb 0.41 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1qj6 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1qj6 s TRP 215 N -1.98 0.08 -0.22 0.66 1.48 -0.75 -4.90 118.94 113.31 1qj6 s TRP 215 Ca -0.07 -0.47 -0.36 0.00 -1.06 0.00 0.00 56.10 54.14 1qj6 s TRP 215 Cb 0.01 0.40 0.15 0.00 -1.16 0.00 0.00 33.47 32.87 1qj6 s TRP 215 CO 0.11 -1.06 1.26 0.20 -4.06 0.00 0.00 176.95 173.40 1qj6 s GLY 216 N -2.95 -0.24 -0.44 3.67 0.00 -1.26 -0.26 107.32 105.84 1qj6 s GLY 216 Ca 0.16 1.77 -0.17 0.00 0.00 0.00 0.00 44.72 46.47 1qj6 s GLY 216 CO 0.06 0.61 0.46 -0.54 0.00 0.00 0.00 173.10 173.68 1qj6 s GLU 217 N -2.21 3.08 1.48 2.90 2.02 -1.26 -4.88 118.70 119.84 1qj6 s GLU 217 Ca 0.10 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1qj6 s GLU 217 Cb -0.01 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.22 1qj6 s GLU 217 CO -0.04 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1qj6 n GLY 219 N 5.13 -1.56 2.90 -1.39 0.00 -1.26 -4.61 105.19 104.40 1qj6 n GLY 219 Ca -0.08 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 1qj6 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qj6 n ASP 221 N 4.68 -5.82 -4.76 0.00 2.03 -1.26 -4.70 116.55 106.72 1qj6 n ASP 221 Ca -0.15 -0.12 -0.40 0.00 0.52 0.00 0.00 54.79 54.65 1qj6 n ASP 221 Cb 0.50 -4.76 -0.05 0.00 -0.72 0.00 0.00 41.12 36.08 1qj6 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1qj6 s ARG 221 N -5.25 4.49 0.29 -0.67 0.52 -1.26 -4.94 118.95 112.12 1qj6 s ARG 221 Ca 0.11 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 1qj6 s ARG 221 Cb -0.05 -3.32 -0.12 0.00 0.52 0.00 0.00 34.95 31.98 1qj6 s ARG 221 CO 0.14 0.41 1.45 -0.25 0.02 0.00 0.00 175.30 177.07 1qj6 n ASP 222 N 2.34 3.18 0.00 0.23 9.92 -1.26 -1.27 116.55 129.69 1qj6 n ASP 222 Ca -0.04 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.38 1qj6 n ASP 222 Cb 0.50 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1qj6 n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qj6 n GLY 223 N 1.76 0.53 3.65 0.44 0.00 -1.26 -5.00 105.19 105.31 1qj6 n GLY 223 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1qj6 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qj6 s LYS 224 N -0.49 2.35 0.11 1.61 -0.14 -0.40 -4.81 119.74 117.97 1qj6 s LYS 224 Ca 0.00 -1.13 0.05 0.00 -1.36 0.00 0.00 55.97 53.53 1qj6 s LYS 224 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1qj6 s LYS 224 CO 0.00 0.45 -0.13 0.71 -0.76 0.00 0.00 175.35 175.62 1qj6 s TYR 225 N -1.73 1.33 0.31 3.18 2.02 -1.26 -4.67 117.35 116.53 1qj6 s TYR 225 Ca 0.27 -0.56 -0.26 0.00 -0.37 0.00 0.00 57.07 56.15 1qj6 s TYR 225 Cb -0.09 -0.70 -0.10 0.00 -0.40 0.00 0.00 41.96 40.67 1qj6 s TYR 225 CO 0.18 0.11 0.94 0.20 -1.57 0.00 0.00 175.55 175.41 1qj6 s GLY 226 N -2.36 2.84 -0.08 0.71 0.00 -0.82 -4.36 107.32 103.25 1qj6 s GLY 226 Ca 0.07 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.31 1qj6 s GLY 226 CO 0.02 0.98 -0.04 -1.36 0.00 0.00 0.00 173.10 172.71 1qj6 s PHE 227 N -1.55 3.04 -0.01 1.90 0.40 0.65 -0.78 117.98 121.62 1qj6 s PHE 227 Ca 0.49 0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.96 1qj6 s PHE 227 Cb -0.20 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1qj6 s PHE 227 CO 0.25 0.38 -0.18 0.71 0.70 0.00 0.00 175.22 177.08 1qj6 s TYR 228 N -0.81 1.62 0.24 0.36 1.51 -0.41 -1.33 117.35 118.52 1qj6 s TYR 228 Ca 0.12 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.57 1qj6 s TYR 228 Cb -0.11 -1.04 -0.11 0.00 -0.11 0.00 0.00 41.96 40.59 1qj6 s TYR 228 CO 0.02 -0.02 1.54 0.99 -1.11 0.00 0.00 175.55 176.96 1qj6 s THR 229 N -0.44 2.43 -0.66 -0.71 2.01 -0.42 -1.83 115.64 116.02 1qj6 s THR 229 Ca 0.07 0.34 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 1qj6 s THR 229 Cb -0.07 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.25 1qj6 s THR 229 CO -0.01 0.05 1.24 -2.28 -0.69 0.00 0.00 174.62 172.92 1qj6 s HIS 230 N 0.37 2.45 0.09 4.92 2.46 0.46 -2.69 115.29 123.34 1qj6 s HIS 230 Ca 0.64 0.19 -0.18 0.00 0.47 0.00 0.00 55.06 56.18 1qj6 s HIS 230 Cb -0.45 -4.57 -0.07 0.00 -0.13 0.00 0.00 32.58 27.36 1qj6 s HIS 230 CO 0.41 -1.82 1.55 0.28 -2.47 0.00 0.00 174.74 172.68 1qj6 h VAL 231 N 6.10 1.24 -0.76 0.89 2.07 -1.72 -3.01 116.25 121.06 1qj6 h VAL 231 Ca -0.26 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1qj6 h VAL 231 Cb 1.05 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 1qj6 h VAL 231 CO 1.23 0.27 0.40 0.15 0.02 0.00 0.00 177.57 179.64 1qj6 h PHE 232 N 0.24 0.73 0.00 1.57 3.57 -1.86 -1.25 116.94 119.94 1qj6 h PHE 232 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1qj6 h PHE 232 Cb 0.37 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1qj6 h PHE 232 CO 0.03 0.28 0.00 0.00 -2.23 0.00 0.00 178.31 176.39 1qj6 h ARG 233 N 0.68 0.00 -0.32 1.11 3.08 -1.91 -2.17 114.38 114.85 1qj6 h ARG 233 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1qj6 h ARG 233 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1qj6 h ARG 233 CO -0.26 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.92 1qj6 n LEU 234 N -2.92 3.10 0.11 3.04 4.77 -0.53 -4.70 117.00 119.86 1qj6 n LEU 234 Ca -0.02 -2.20 0.02 0.00 -0.03 0.00 0.00 56.01 53.78 1qj6 n LEU 234 Cb 0.10 -0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.28 1qj6 n LEU 234 CO 0.19 0.71 0.90 0.50 -1.33 0.00 0.00 177.39 178.36 1qj6 h LYS 235 N 1.94 0.27 -0.94 3.23 3.64 -0.80 -2.37 116.57 121.54 1qj6 h LYS 235 Ca 0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1qj6 h LYS 235 Cb 0.87 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 1qj6 h LYS 235 CO 0.04 0.39 0.61 -0.22 -2.27 0.00 0.00 179.45 178.01 1qj6 h LYS 236 N 0.26 1.12 -0.40 1.90 3.11 -1.84 0.94 116.57 121.65 1qj6 h LYS 236 Ca 0.05 -0.07 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 1qj6 h LYS 236 Cb 0.37 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1qj6 h LYS 236 CO 0.02 0.74 -0.18 2.35 -2.81 0.00 0.00 179.45 179.57 1qj6 h TRP 237 N 1.15 0.95 -0.15 1.91 7.01 -1.81 0.11 115.95 125.12 1qj6 h TRP 237 Ca 0.38 -0.23 0.05 0.00 2.11 0.00 0.00 58.89 61.20 1qj6 h TRP 237 Cb 0.06 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 26.84 1qj6 h TRP 237 CO -0.00 0.99 -0.22 0.82 -2.79 0.00 0.00 178.44 177.24 1qj6 h ILE 238 N 0.64 0.45 0.21 2.65 2.04 -0.93 0.11 117.51 122.69 1qj6 h ILE 238 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1qj6 h ILE 238 Cb 0.73 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1qj6 h ILE 238 CO 0.06 0.00 -0.18 1.56 0.00 0.00 0.00 178.15 179.58 1qj6 h GLN 239 N -0.27 -0.40 -0.86 2.37 4.20 -0.81 -0.20 115.11 119.14 1qj6 h GLN 239 Ca 0.11 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.96 1qj6 h GLN 239 Cb 0.43 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.17 1qj6 h GLN 239 CO -0.31 -0.27 -0.47 -0.22 -0.67 0.00 0.00 178.83 176.90 1qj6 h LYS 240 N -0.41 -0.07 -0.04 1.46 3.64 -0.63 0.30 116.57 120.80 1qj6 h LYS 240 Ca -0.01 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1qj6 h LYS 240 Cb 0.38 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1qj6 h LYS 240 CO -0.03 -0.05 -0.53 -0.39 -2.27 0.00 0.00 179.45 176.19 1qj6 h VAL 241 N -0.08 1.37 0.00 2.00 -1.51 -0.51 0.91 116.25 118.43 1qj6 h VAL 241 Ca 0.23 -1.81 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 1qj6 h VAL 241 Cb 0.53 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1qj6 h VAL 241 CO -0.88 0.53 -0.13 0.16 -1.23 0.00 0.00 177.57 176.02 1qj6 h ILE 242 N 0.09 0.00 -0.07 7.19 3.07 -0.39 -3.11 117.51 124.31 1qj6 h ILE 242 Ca -0.00 -0.63 -0.13 0.00 1.55 0.00 0.00 64.86 65.65 1qj6 h ILE 242 Cb 0.97 1.55 0.01 0.00 -0.27 0.00 0.00 36.82 39.07 1qj6 h ILE 242 CO 0.08 0.00 -0.48 0.44 -1.05 0.00 0.00 178.15 177.13 1qj6 h ASP 243 N 0.00 0.54 -0.65 2.16 3.32 -0.35 -2.67 116.42 118.76 1qj6 h ASP 243 Ca 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 57.03 56.43 1qj6 h ASP 243 Cb 0.81 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1qj6 h ASP 243 CO 0.00 1.13 0.43 1.56 -1.72 0.00 0.00 179.24 180.64 1qj6 h GLN 244 N -0.01 0.67 -1.68 3.56 1.08 -0.84 -3.37 115.11 114.51 1qj6 h GLN 244 Ca -0.04 -0.04 -0.31 0.00 -1.45 0.00 0.00 58.65 56.80 1qj6 h GLN 244 Cb 1.15 -0.15 -0.27 0.00 -0.05 0.00 0.00 27.48 28.15 1qj6 h GLN 244 CO 0.10 0.44 -0.66 0.12 -0.95 0.00 0.00 178.83 177.88 1qj6 s PHE 245 N -5.61 -0.55 0.00 2.96 5.36 -1.18 -4.90 117.98 114.07 1qj6 s PHE 245 Ca -0.09 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 55.02 1qj6 s PHE 245 Cb 0.19 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 1qj6 s PHE 245 CO 0.76 -1.04 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 1qj6 n GLY 246 N 3.78 0.51 0.00 13.12 0.00 -1.01 -4.95 105.19 116.65 1qj6 n GLY 246 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1qj6 n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48