#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjp s ILE 4 N 0.00 4.62 -0.40 -0.61 1.01 -1.26 -4.95 121.20 119.61 2qjp s ILE 4 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 2qjp s ILE 4 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2qjp s ILE 4 CO 0.00 0.60 2.05 -2.84 0.00 0.00 0.00 174.94 174.75 2qjp s PRO 5 N -0.82 2.86 0.32 2.79 0.02 -1.26 -4.96 135.00 133.94 2qjp s PRO 5 Ca 0.13 1.39 0.03 0.00 0.02 0.00 0.00 61.00 62.57 2qjp s PRO 5 Cb -0.12 -4.37 -0.04 0.00 0.02 0.00 0.00 34.50 29.99 2qjp s PRO 5 CO 0.03 -2.42 0.11 -3.38 -0.33 0.00 0.00 177.00 171.01 2qjp s HIS 6 N 8.89 1.70 -0.25 6.54 -3.43 -1.26 -4.62 115.29 122.87 2qjp s HIS 6 Ca 0.86 -1.21 -0.06 0.00 -0.80 0.00 0.00 55.06 53.85 2qjp s HIS 6 Cb -0.22 -1.02 -0.02 0.00 -1.43 0.00 0.00 32.58 29.90 2qjp s HIS 6 CO 0.30 -0.31 0.03 0.16 -2.00 0.00 0.00 174.74 172.92 2qjp s ASP 7 N -3.43 4.84 0.42 7.38 -4.77 -1.26 -5.09 116.67 114.76 2qjp s ASP 7 Ca 0.34 -0.35 -0.08 0.00 -3.30 0.00 0.00 52.55 49.16 2qjp s ASP 7 Cb 0.06 -1.85 -0.05 0.00 -1.09 0.00 0.00 42.92 39.99 2qjp s ASP 7 CO 0.15 -0.05 0.75 -1.38 0.70 0.00 0.00 175.17 175.34 2qjp s HIS 8 N 1.55 3.50 0.52 2.11 -3.43 -1.26 -5.04 115.29 113.24 2qjp s HIS 8 Ca 0.06 0.91 -0.18 0.00 -0.80 0.00 0.00 55.06 55.05 2qjp s HIS 8 Cb -0.15 -2.35 -0.15 0.00 -1.43 0.00 0.00 32.58 28.50 2qjp s HIS 8 CO 0.01 -0.14 -0.13 0.98 -2.00 0.00 0.00 174.74 173.47 2qjp n TYR 9 N -1.60 -2.90 -3.70 0.38 4.19 -1.26 -5.03 117.16 107.23 2qjp n TYR 9 Ca 0.01 0.44 -0.13 0.00 3.31 0.00 0.00 57.90 61.54 2qjp n TYR 9 Cb 0.54 -1.69 -0.13 0.00 0.49 0.00 0.00 39.34 38.56 2qjp n TYR 9 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2qjp s GLU 10 N -1.06 0.19 -0.05 2.98 2.56 -1.26 -5.09 118.70 116.97 2qjp s GLU 10 Ca 0.57 0.64 -0.30 0.00 0.00 0.00 0.00 54.97 55.88 2qjp s GLU 10 Cb -0.49 -0.08 -0.05 0.00 2.00 0.00 0.00 34.13 35.51 2qjp s GLU 10 CO 0.66 -0.22 1.61 -2.14 -0.56 0.00 0.00 175.26 174.62 2qjp s PRO 11 N 1.78 4.19 -0.13 4.30 0.02 -1.26 -4.88 135.00 139.02 2qjp s PRO 11 Ca -0.05 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 2qjp s PRO 11 Cb -0.11 -3.93 -0.06 0.00 0.02 0.00 0.00 34.50 30.43 2qjp s PRO 11 CO -0.09 -0.82 -0.24 0.54 -0.33 0.00 0.00 177.00 176.07 2qjp n ARG 12 N 6.91 0.37 -0.58 5.54 5.12 -1.26 -4.77 116.66 127.98 2qjp n ARG 12 Ca 0.17 0.16 -0.26 0.00 -1.93 0.00 0.00 57.85 55.99 2qjp n ARG 12 Cb 0.43 -1.14 0.16 0.00 -1.16 0.00 0.00 32.46 30.75 2qjp n ARG 12 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2qjp n THR 13 N -4.00 0.00 -0.08 0.55 -1.04 -1.26 -4.78 114.28 103.67 2qjp n THR 13 Ca -0.22 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.05 61.49 2qjp n THR 13 Cb 0.54 -0.56 -0.12 0.00 -1.82 0.00 0.00 70.33 68.38 2qjp n THR 13 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2qjp h GLY 14 N -2.43 0.00 0.87 3.41 0.00 -2.00 -2.91 103.07 100.01 2qjp h GLY 14 Ca -0.39 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2qjp h GLY 14 CO 0.26 0.00 0.19 -2.22 0.00 0.00 0.00 176.54 174.77 2qjp h ILE 15 N -1.00 1.01 -0.96 2.60 2.04 -2.00 -2.37 117.51 116.83 2qjp h ILE 15 Ca -0.09 -0.13 0.17 0.00 1.00 0.00 0.00 64.86 65.81 2qjp h ILE 15 Cb 1.02 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 2qjp h ILE 15 CO -0.05 0.07 0.61 -0.33 0.00 0.00 0.00 178.15 178.44 2qjp h GLU 16 N 0.39 0.69 -0.07 2.37 5.08 -1.92 0.20 114.58 121.31 2qjp h GLU 16 Ca 0.14 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2qjp h GLU 16 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2qjp h GLU 16 CO -0.09 0.45 -0.64 0.87 -1.00 0.00 0.00 179.01 178.61 2qjp h LYS 17 N 0.71 0.26 0.16 2.33 1.57 -1.23 -1.36 116.57 119.02 2qjp h LYS 17 Ca 0.52 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2qjp h LYS 17 Cb 0.86 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2qjp h LYS 17 CO -0.28 0.82 -0.08 2.35 -0.57 0.00 0.00 179.45 181.69 2qjp h TRP 18 N 0.19 -0.20 -0.02 -1.35 7.01 -0.75 -3.18 115.95 117.65 2qjp h TRP 18 Ca -0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2qjp h TRP 18 Cb 1.16 0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 28.29 2qjp h TRP 18 CO 0.03 0.23 -0.00 1.25 -2.79 0.00 0.00 178.44 177.15 2qjp h LEU 19 N -0.76 -0.02 -1.29 0.65 5.85 -0.73 -3.12 115.31 115.90 2qjp h LEU 19 Ca -0.02 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.84 2qjp h LEU 19 Cb 0.52 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2qjp h LEU 19 CO 0.04 -0.01 0.57 -0.74 -0.34 0.00 0.00 178.44 177.96 2qjp h HIS 20 N 0.00 0.82 0.00 1.25 2.76 -1.35 0.32 115.15 118.95 2qjp h HIS 20 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2qjp h HIS 20 Cb 0.01 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2qjp h HIS 20 CO -0.09 0.31 0.00 -1.13 -1.30 0.00 0.00 177.93 175.71 2qjp n SER 21 N -4.56 0.00 -0.07 3.26 3.41 -1.18 -3.56 113.62 110.92 2qjp n SER 21 Ca 0.17 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.91 2qjp n SER 21 Cb 0.46 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 2qjp n SER 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qjp n ARG 22 N -1.41 0.32 -3.42 4.33 1.74 -0.08 -4.95 116.66 113.19 2qjp n ARG 22 Ca 0.08 0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 57.07 2qjp n ARG 22 Cb 0.22 -1.09 -0.10 0.00 -1.02 0.00 0.00 32.46 30.47 2qjp n ARG 22 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qjp s LEU 23 N -6.52 0.03 0.00 0.55 2.96 -0.14 -5.03 118.68 110.54 2qjp s LEU 23 Ca -0.20 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.60 2qjp s LEU 23 Cb 0.07 0.28 0.00 0.00 0.50 0.00 0.00 46.19 47.04 2qjp s LEU 23 CO 0.27 -0.37 0.85 -0.81 -1.32 0.00 0.00 176.35 174.97 2qjp n PRO 24 N 5.01 0.45 0.14 0.98 -0.04 -1.23 -4.27 135.00 136.04 2qjp n PRO 24 Ca 0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2qjp n PRO 24 Cb 0.45 -1.28 0.48 0.00 -0.04 0.00 0.00 33.50 33.10 2qjp n PRO 24 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2qjp h ILE 25 N 1.46 1.11 -0.24 0.52 2.10 -1.90 -1.83 117.51 118.73 2qjp h ILE 25 Ca 0.00 -0.44 -0.14 0.00 1.08 0.00 0.00 64.86 65.36 2qjp h ILE 25 Cb 0.45 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.19 2qjp h ILE 25 CO 0.00 0.14 -0.43 0.58 -1.08 0.00 0.00 178.15 177.36 2qjp h VAL 26 N 0.21 1.30 -0.41 2.19 2.07 -1.96 -2.06 116.25 117.59 2qjp h VAL 26 Ca 0.05 -1.62 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 2qjp h VAL 26 Cb 0.18 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2qjp h VAL 26 CO 0.01 0.51 -0.20 0.00 0.02 0.00 0.00 177.57 177.91 2qjp h ALA 27 N 1.05 0.89 0.33 1.67 0.00 -1.71 -1.61 119.26 119.87 2qjp h ALA 27 Ca 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2qjp h ALA 27 Cb 0.95 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qjp h ALA 27 CO 0.09 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 181.06 2qjp h LEU 28 N 0.70 -0.38 -1.15 0.00 5.85 -1.11 -1.27 115.31 117.95 2qjp h LEU 28 Ca 0.10 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.89 2qjp h LEU 28 Cb 0.71 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 2qjp h LEU 28 CO 0.05 -0.14 0.60 0.00 -0.34 0.00 0.00 178.44 178.61 2qjp h ALA 29 N 0.02 1.73 0.67 1.25 0.00 -1.33 -1.93 119.26 119.66 2qjp h ALA 29 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qjp h ALA 29 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qjp h ALA 29 CO 0.07 -0.01 -0.43 -0.92 0.00 0.00 0.00 179.25 177.96 2qjp h TYR 30 N 0.78 -1.14 0.00 0.00 3.20 -0.84 -2.65 116.97 116.31 2qjp h TYR 30 Ca 0.50 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.36 2qjp h TYR 30 Cb 0.73 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2qjp h TYR 30 CO -0.00 -0.63 0.08 -0.44 -1.64 0.00 0.00 178.16 175.52 2qjp h ASP 31 N -1.03 0.00 0.65 -2.11 3.32 -0.65 0.18 116.42 116.78 2qjp h ASP 31 Ca -0.09 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.69 2qjp h ASP 31 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2qjp h ASP 31 CO 0.08 0.00 -1.23 0.74 -1.72 0.00 0.00 179.24 177.11 2qjp h THR 32 N 0.00 1.51 -0.24 0.35 2.02 -1.04 -3.32 112.91 112.19 2qjp h THR 32 Ca 0.00 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 64.10 2qjp h THR 32 Cb 0.15 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2qjp h THR 32 CO 0.00 0.90 0.00 -0.38 0.37 0.00 0.00 175.52 176.41 2qjp n ILE 33 N -3.53 1.11 -1.14 3.11 5.41 -0.64 -4.40 119.36 119.27 2qjp n ILE 33 Ca -0.08 -1.09 0.09 0.00 1.00 0.00 0.00 62.75 62.67 2qjp n ILE 33 Cb 1.02 0.43 0.14 0.00 -0.71 0.00 0.00 39.64 40.52 2qjp n ILE 33 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2qjp n MET 34 N 0.14 1.23 -2.57 0.38 2.81 0.55 -2.31 117.12 117.36 2qjp n MET 34 Ca 0.09 -2.54 -0.42 0.00 -1.81 0.00 0.00 57.70 53.02 2qjp n MET 34 Cb 0.42 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 2qjp n MET 34 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qjp s ILE 35 N -2.76 4.47 -0.04 2.02 2.07 -1.25 -4.60 121.20 121.12 2qjp s ILE 35 Ca 0.31 1.78 -0.30 0.00 -1.41 0.00 0.00 60.65 61.03 2qjp s ILE 35 Cb 0.27 -4.14 -0.06 0.00 0.13 0.00 0.00 42.46 38.67 2qjp s ILE 35 CO 0.02 0.14 1.66 -2.16 -1.91 0.00 0.00 174.94 172.69 2qjp s PRO 36 N 1.03 4.18 -0.06 3.50 0.04 -1.26 -1.54 135.00 140.89 2qjp s PRO 36 Ca 0.55 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.83 2qjp s PRO 36 Cb -0.25 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 2qjp s PRO 36 CO 0.29 -0.83 -0.13 0.99 0.04 0.00 0.00 177.00 177.36 2qjp s THR 37 N 3.91 3.20 0.24 1.26 2.01 -0.30 -4.87 115.64 121.10 2qjp s THR 37 Ca 0.74 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.76 2qjp s THR 37 Cb -0.34 -2.27 -0.14 0.00 0.01 0.00 0.00 72.50 69.76 2qjp s THR 37 CO 0.30 0.59 1.30 -0.81 -0.69 0.00 0.00 174.62 175.31 2qjp n PRO 38 N 2.39 1.78 0.24 4.92 -0.04 -1.26 -1.55 135.00 141.48 2qjp n PRO 38 Ca -0.17 0.63 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2qjp n PRO 38 Cb 0.52 -2.22 0.57 0.00 -0.04 0.00 0.00 33.50 32.34 2qjp n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjp h ARG 39 N 3.65 0.00 -0.14 0.54 3.08 -1.54 -3.26 114.38 116.71 2qjp h ARG 39 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2qjp h ARG 39 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2qjp h ARG 39 CO 0.72 0.13 0.00 0.27 -1.07 0.00 0.00 179.97 180.01 2qjp n ASN 40 N -4.31 1.20 -4.68 7.04 6.94 -1.26 -4.96 115.26 115.23 2qjp n ASN 40 Ca -0.03 -1.70 -0.43 0.00 -0.02 0.00 0.00 54.58 52.41 2qjp n ASN 40 Cb 0.20 -0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 37.52 2qjp n ASN 40 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2qjp n LEU 41 N 0.04 3.34 0.00 -4.53 4.77 -1.23 -4.67 117.00 114.71 2qjp n LEU 41 Ca 0.14 1.20 -0.20 0.00 -0.03 0.00 0.00 56.01 57.11 2qjp n LEU 41 Cb 0.24 -1.46 0.01 0.00 -2.33 0.00 0.00 43.42 39.88 2qjp n LEU 41 CO 0.11 -0.62 0.08 -0.46 -1.33 0.00 0.00 177.39 175.16 2qjp n ASN 42 N 0.79 2.33 0.00 -1.43 0.23 -1.26 -4.98 115.26 110.94 2qjp n ASN 42 Ca 0.05 -2.48 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 2qjp n ASN 42 Cb 0.36 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2qjp n ASN 42 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 2qjp n TRP 43 N -1.57 0.00 0.83 -2.53 7.02 -1.26 -0.93 117.44 119.00 2qjp n TRP 43 Ca -0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 2qjp n TRP 43 Cb 0.49 -0.05 0.24 0.00 -2.42 0.00 0.00 31.31 29.58 2qjp n TRP 43 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2qjp n MET 44 N -1.03 0.12 -0.14 -0.99 2.81 -1.26 -3.73 117.12 112.89 2qjp n MET 44 Ca 0.00 0.03 0.08 0.00 -1.81 0.00 0.00 57.70 56.01 2qjp n MET 44 Cb 0.00 -1.57 0.27 0.00 -0.71 0.00 0.00 33.22 31.21 2qjp n MET 44 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2qjp n TRP 45 N -1.74 0.37 -0.15 2.03 8.01 -0.11 -4.11 117.44 121.74 2qjp n TRP 45 Ca 0.05 -0.19 0.12 0.00 -1.31 0.00 0.00 57.50 56.17 2qjp n TRP 45 Cb 0.38 0.00 0.29 0.00 -2.01 0.00 0.00 31.31 29.96 2qjp n TRP 45 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 2qjp n ILE 46 N 0.52 0.84 0.24 -0.99 -6.64 -1.24 -4.30 119.36 107.78 2qjp n ILE 46 Ca 0.15 -0.92 0.12 0.00 -1.77 0.00 0.00 62.75 60.33 2qjp n ILE 46 Cb 0.34 0.66 0.15 0.00 -1.44 0.00 0.00 39.64 39.35 2qjp n ILE 46 CO 0.00 0.00 0.00 -0.50 -1.77 0.00 0.00 176.55 174.28 2qjp h TRP 47 N 4.32 0.00 0.07 4.28 4.06 -1.84 -3.13 115.95 123.70 2qjp h TRP 47 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2qjp h TRP 47 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2qjp h TRP 47 CO 0.41 0.00 -0.03 0.78 -3.56 0.00 0.00 178.44 176.04 2qjp h GLY 48 N 4.06 -0.09 2.00 1.49 0.00 -1.89 -1.55 103.07 107.09 2qjp h GLY 48 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2qjp h GLY 48 CO 0.00 -0.03 -0.05 -0.24 0.00 0.00 0.00 176.54 176.21 2qjp h VAL 49 N -0.17 0.13 0.00 4.60 3.04 -1.86 -1.28 116.25 120.71 2qjp h VAL 49 Ca -0.01 -0.71 -0.13 0.00 -1.01 0.00 0.00 66.70 64.84 2qjp h VAL 49 Cb 0.14 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 2qjp h VAL 49 CO 0.02 0.05 -0.62 0.58 -1.01 0.00 0.00 177.57 176.59 2qjp h VAL 50 N 0.00 1.32 -0.05 1.51 2.07 -1.42 -1.75 116.25 117.93 2qjp h VAL 50 Ca -0.00 -2.22 -0.20 0.00 0.82 0.00 0.00 66.70 65.10 2qjp h VAL 50 Cb 0.63 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2qjp h VAL 50 CO 0.01 0.61 -0.76 -0.07 0.02 0.00 0.00 177.57 177.37 2qjp h LEU 51 N 0.00 0.77 0.09 2.57 3.38 -0.47 -1.37 115.31 120.29 2qjp h LEU 51 Ca -0.01 -0.70 0.02 0.00 0.09 0.00 0.00 57.88 57.29 2qjp h LEU 51 Cb 1.19 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2qjp h LEU 51 CO 0.08 1.36 -0.30 0.00 0.09 0.00 0.00 178.44 179.66 2qjp h ALA 52 N 0.43 -0.50 -0.26 1.53 0.00 -1.13 0.25 119.26 119.58 2qjp h ALA 52 Ca -0.08 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2qjp h ALA 52 Cb 1.43 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 2qjp h ALA 52 CO 0.15 -0.84 -0.17 0.35 0.00 0.00 0.00 179.25 178.75 2qjp h PHE 53 N -0.51 -0.42 -0.60 0.00 3.57 -1.33 -0.76 116.94 116.89 2qjp h PHE 53 Ca 0.04 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.66 2qjp h PHE 53 Cb 0.55 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.44 2qjp h PHE 53 CO -0.29 -0.24 0.22 0.00 -2.23 0.00 0.00 178.31 175.77 2qjp h LEU 55 N 0.39 0.13 -0.24 0.00 5.85 0.21 0.72 115.31 122.37 2qjp h LEU 55 Ca 0.30 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2qjp h LEU 55 Cb 0.38 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2qjp h LEU 55 CO -0.31 0.17 0.15 0.58 -0.34 0.00 0.00 178.44 178.69 2qjp h VAL 56 N 0.07 1.09 -0.34 1.05 2.07 -0.56 -0.62 116.25 119.02 2qjp h VAL 56 Ca 0.04 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2qjp h VAL 56 Cb 0.07 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2qjp h VAL 56 CO -0.01 0.09 0.09 0.25 0.02 0.00 0.00 177.57 178.01 2qjp h LEU 57 N 0.30 0.06 -0.36 2.57 5.85 0.24 -1.34 115.31 122.62 2qjp h LEU 57 Ca 0.09 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2qjp h LEU 57 Cb 0.02 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2qjp h LEU 57 CO -0.02 0.07 0.20 1.56 -0.34 0.00 0.00 178.44 179.91 2qjp h GLN 58 N 0.22 0.50 0.32 1.25 1.08 -0.65 -1.56 115.11 116.27 2qjp h GLN 58 Ca 0.16 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2qjp h GLN 58 Cb 0.16 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2qjp h GLN 58 CO -0.19 0.41 -0.23 0.82 -0.95 0.00 0.00 178.83 178.69 2qjp h ILE 59 N 0.46 0.52 -0.67 2.54 2.04 -0.68 0.41 117.51 122.13 2qjp h ILE 59 Ca 0.13 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 2qjp h ILE 59 Cb 0.05 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2qjp h ILE 59 CO -0.02 0.00 0.10 -0.37 0.00 0.00 0.00 178.15 177.86 2qjp h VAL 60 N -0.55 1.26 0.00 1.67 -1.51 -1.25 0.02 116.25 115.90 2qjp h VAL 60 Ca -0.03 -1.05 -0.08 0.00 -1.23 0.00 0.00 66.70 64.32 2qjp h VAL 60 Cb 0.47 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 2qjp h VAL 60 CO 0.01 0.39 -0.36 0.71 -1.23 0.00 0.00 177.57 177.09 2qjp h THR 61 N 1.03 1.00 0.16 7.19 1.35 -1.20 -2.06 112.91 120.37 2qjp h THR 61 Ca 0.20 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 2qjp h THR 61 Cb 0.45 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2qjp h THR 61 CO 0.01 0.35 -0.08 1.23 -0.25 0.00 0.00 175.52 176.79 2qjp h GLY 62 N 1.59 -0.22 0.29 5.82 0.00 0.56 -0.29 103.07 110.82 2qjp h GLY 62 Ca -0.00 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.50 2qjp h GLY 62 CO 0.05 -0.08 0.12 -2.22 0.00 0.00 0.00 176.54 174.41 2qjp h ILE 63 N -0.71 0.69 0.20 2.60 2.04 -0.94 0.48 117.51 121.87 2qjp h ILE 63 Ca -0.02 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2qjp h ILE 63 Cb 0.51 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2qjp h ILE 63 CO 0.04 0.05 -0.15 0.58 0.00 0.00 0.00 178.15 178.66 2qjp h VAL 64 N 0.26 0.67 -0.90 1.67 2.07 -1.38 -2.49 116.25 116.15 2qjp h VAL 64 Ca 0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.83 2qjp h VAL 64 Cb 0.39 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2qjp h VAL 64 CO -0.36 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.76 2qjp h LEU 65 N -0.36 1.00 -1.25 2.57 3.38 -0.04 -0.64 115.31 119.97 2qjp h LEU 65 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 65 Cb 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qjp h LEU 65 CO -0.01 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2qjp n ALA 66 N -2.40 1.22 0.31 1.53 0.00 0.16 -1.52 120.51 119.81 2qjp n ALA 66 Ca 0.11 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.86 2qjp n ALA 66 Cb 0.07 -1.34 0.40 0.00 0.00 0.00 0.00 19.45 18.57 2qjp n ALA 66 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2qjp h MET 67 N 0.00 0.00 0.00 0.00 2.86 -0.81 -3.31 114.93 113.67 2qjp h MET 67 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qjp h MET 67 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2qjp h MET 67 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69 2qjp n HIS 68 N -2.91 0.00 -3.17 -0.22 8.25 -0.58 -5.05 115.22 111.55 2qjp n HIS 68 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 2qjp n HIS 68 Cb 0.42 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 2qjp n HIS 68 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2qjp s TYR 69 N -0.85 3.69 -0.35 4.41 5.04 -0.88 -4.87 117.35 123.53 2qjp s TYR 69 Ca 0.00 1.24 -0.07 0.00 -2.44 0.00 0.00 57.07 55.79 2qjp s TYR 69 Cb 0.00 -2.64 0.04 0.00 0.35 0.00 0.00 41.96 39.71 2qjp s TYR 69 CO 0.00 0.34 0.14 0.99 -1.34 0.00 0.00 175.55 175.68 2qjp s THR 70 N -0.15 3.94 -1.40 4.34 2.01 -1.26 -4.94 115.64 118.18 2qjp s THR 70 Ca 0.32 -1.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 2qjp s THR 70 Cb -0.18 -3.26 0.05 0.00 0.01 0.00 0.00 72.50 69.11 2qjp s THR 70 CO 0.18 -0.24 2.07 -0.81 -0.69 0.00 0.00 174.62 175.13 2qjp n PRO 71 N 4.85 2.94 -3.66 4.92 -0.04 -1.26 -2.55 135.00 140.20 2qjp n PRO 71 Ca -0.12 -2.81 -0.08 0.00 -0.04 0.00 0.00 63.50 60.45 2qjp n PRO 71 Cb 0.45 -3.36 -0.09 0.00 -0.04 0.00 0.00 33.50 30.46 2qjp n PRO 71 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2qjp s HIS 72 N 3.58 -0.87 0.58 0.54 5.04 -1.26 -4.43 115.29 118.48 2qjp s HIS 72 Ca 0.49 1.65 0.39 0.00 -1.54 0.00 0.00 55.06 56.06 2qjp s HIS 72 Cb 0.11 0.40 1.34 0.00 0.04 0.00 0.00 32.58 34.47 2qjp s HIS 72 CO -0.03 -0.49 1.44 -0.39 -2.34 0.00 0.00 174.74 172.93 2qjp h VAL 73 N 5.94 0.00 0.00 0.89 -1.51 -1.90 0.84 116.25 120.52 2qjp h VAL 73 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2qjp h VAL 73 Cb 1.13 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2qjp h VAL 73 CO 0.15 0.00 -0.19 0.44 -1.23 0.00 0.00 177.57 176.75 2qjp h ASP 74 N 0.00 0.00 0.00 4.19 5.19 -1.96 -3.40 116.42 120.44 2qjp h ASP 74 Ca 0.73 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 2qjp h ASP 74 Cb 3.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.90 2qjp h ASP 74 CO -0.01 0.00 -0.53 0.18 -3.12 0.00 0.00 179.24 175.77 2qjp n LEU 75 N -2.88 0.00 -0.09 1.55 4.77 0.27 -4.82 117.00 115.80 2qjp n LEU 75 Ca 0.04 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2qjp n LEU 75 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2qjp n LEU 75 CO 0.35 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.17 2qjp h ALA 76 N 0.00 0.13 -0.23 -1.18 0.00 -0.52 0.96 119.26 118.42 2qjp h ALA 76 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qjp h ALA 76 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qjp h ALA 76 CO 0.00 -0.52 -0.06 0.35 0.00 0.00 0.00 179.25 179.02 2qjp h PHE 77 N -0.08 0.50 -0.82 0.00 3.04 -1.80 -1.94 116.94 115.85 2qjp h PHE 77 Ca 0.17 -0.11 0.02 0.00 3.98 0.00 0.00 57.97 62.03 2qjp h PHE 77 Cb 0.33 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.67 2qjp h PHE 77 CO -0.35 0.68 0.53 0.00 -2.02 0.00 0.00 178.31 177.15 2qjp h ALA 78 N 0.75 1.06 0.00 2.41 0.00 -1.80 -1.82 119.26 119.85 2qjp h ALA 78 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qjp h ALA 78 Cb 0.52 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qjp h ALA 78 CO 0.02 0.39 -0.07 0.66 0.00 0.00 0.00 179.25 180.26 2qjp h SER 79 N 1.06 0.00 1.14 0.00 4.64 0.12 -0.41 113.55 120.10 2qjp h SER 79 Ca 0.31 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.47 2qjp h SER 79 Cb -0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2qjp h SER 79 CO -0.09 0.07 -0.89 0.58 -0.87 0.00 0.00 176.83 175.63 2qjp h VAL 80 N 0.00 1.15 -0.25 0.95 2.07 -0.55 -2.76 116.25 116.85 2qjp h VAL 80 Ca -0.00 -2.69 -0.20 0.00 0.82 0.00 0.00 66.70 64.63 2qjp h VAL 80 Cb 0.12 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2qjp h VAL 80 CO 0.01 0.65 -0.62 -0.33 0.02 0.00 0.00 177.57 177.31 2qjp h GLU 81 N 0.00 0.86 -0.76 1.57 4.39 -0.93 -2.19 114.58 117.52 2qjp h GLU 81 Ca -0.05 -0.59 0.15 0.00 0.34 0.00 0.00 59.36 59.21 2qjp h GLU 81 Cb 1.60 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 30.24 2qjp h GLU 81 CO 0.09 1.22 0.30 1.25 -1.16 0.00 0.00 179.01 180.70 2qjp h HIS 82 N 0.64 0.51 -0.35 4.33 -0.00 -1.08 0.30 115.15 119.50 2qjp h HIS 82 Ca -0.01 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 2qjp h HIS 82 Cb 1.23 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.52 2qjp h HIS 82 CO 0.08 0.05 -0.04 0.82 -0.00 0.00 0.00 177.93 178.84 2qjp h ILE 83 N 0.43 1.21 -0.02 6.26 2.04 -1.21 0.59 117.51 126.82 2qjp h ILE 83 Ca 0.42 -0.88 -0.24 0.00 1.00 0.00 0.00 64.86 65.15 2qjp h ILE 83 Cb 0.65 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2qjp h ILE 83 CO -0.41 0.30 -0.96 0.24 0.00 0.00 0.00 178.15 177.31 2qjp h MET 84 N 0.52 0.57 0.00 2.37 2.86 -0.15 -2.88 114.93 118.22 2qjp h MET 84 Ca 0.11 -0.59 -0.17 0.00 -2.06 0.00 0.00 59.70 56.99 2qjp h MET 84 Cb 0.39 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2qjp h MET 84 CO 0.02 1.21 -2.00 0.54 1.06 0.00 0.00 176.91 177.73 2qjp n ARG 85 N -3.81 0.66 -0.04 1.72 1.74 0.78 -3.70 116.66 114.02 2qjp n ARG 85 Ca -0.08 -0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 56.89 2qjp n ARG 85 Cb 0.84 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 2qjp n ARG 85 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2qjp n ASN 86 N -2.57 1.07 -4.70 0.55 3.02 0.20 -5.01 115.26 107.82 2qjp n ASN 86 Ca -0.16 0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.03 2qjp n ASN 86 Cb 0.84 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 2qjp n ASN 86 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2qjp n VAL 87 N -3.20 0.23 -1.66 2.41 0.31 -1.16 -4.84 118.33 110.43 2qjp n VAL 87 Ca -0.14 -0.04 -0.51 0.00 -0.01 0.00 0.00 64.34 63.64 2qjp n VAL 87 Cb 0.60 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 2qjp n VAL 87 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qjp n ASN 88 N 4.99 2.95 -1.05 4.52 3.02 -1.26 0.78 115.26 129.21 2qjp n ASN 88 Ca 0.17 0.91 -0.14 0.00 -0.03 0.00 0.00 54.58 55.49 2qjp n ASN 88 Cb 0.36 -1.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 2qjp n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qjp n GLY 89 N 4.69 1.43 0.13 7.41 0.00 -1.26 -4.89 105.19 112.70 2qjp n GLY 89 Ca 0.27 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2qjp n GLY 89 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qjp h GLY 90 N 0.00 -0.24 -0.35 -0.02 0.00 0.28 -0.58 103.07 102.16 2qjp h GLY 90 Ca -0.28 0.09 0.27 0.00 0.00 0.00 0.00 47.33 47.40 2qjp h GLY 90 CO 0.41 -0.09 0.48 0.27 0.00 0.00 0.00 176.54 177.61 2qjp h PHE 91 N -0.47 0.78 -0.05 5.60 -0.00 -1.58 0.24 116.94 121.47 2qjp h PHE 91 Ca -0.02 0.04 -0.22 0.00 -0.00 0.00 0.00 57.97 57.77 2qjp h PHE 91 Cb 0.36 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 36.12 2qjp h PHE 91 CO 0.00 -0.10 -0.86 1.98 -0.00 0.00 0.00 178.31 179.34 2qjp h MET 92 N 0.38 0.50 -0.42 6.09 4.05 -1.85 -2.30 114.93 121.37 2qjp h MET 92 Ca 0.64 -0.47 -0.12 0.00 -0.28 0.00 0.00 59.70 59.47 2qjp h MET 92 Cb 1.33 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.23 2qjp h MET 92 CO -0.57 1.11 -0.22 -0.07 0.23 0.00 0.00 176.91 177.39 2qjp h LEU 93 N 0.31 0.87 0.20 3.39 3.38 0.96 -1.53 115.31 122.90 2qjp h LEU 93 Ca -0.06 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2qjp h LEU 93 Cb 1.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2qjp h LEU 93 CO 0.15 1.06 -0.10 -0.09 0.09 0.00 0.00 178.44 179.56 2qjp h ARG 94 N 0.74 -0.26 -1.13 1.13 1.12 -0.71 -1.84 114.38 113.43 2qjp h ARG 94 Ca 0.10 0.02 0.33 0.00 -1.11 0.00 0.00 59.98 59.31 2qjp h ARG 94 Cb 0.76 0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 30.73 2qjp h ARG 94 CO 0.06 -0.18 0.91 1.88 -3.11 0.00 0.00 179.97 179.54 2qjp h TYR 95 N -0.30 0.00 0.07 2.20 0.05 -1.45 0.29 116.97 117.83 2qjp h TYR 95 Ca -0.03 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.50 2qjp h TYR 95 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2qjp h TYR 95 CO 0.16 0.00 -1.10 -0.07 -1.05 0.00 0.00 178.16 176.10 2qjp h LEU 96 N 0.00 0.44 -0.11 3.88 3.38 -1.10 -2.11 115.31 119.69 2qjp h LEU 96 Ca 0.53 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2qjp h LEU 96 Cb 2.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.97 2qjp h LEU 96 CO -0.01 1.27 -0.37 -0.74 0.09 0.00 0.00 178.44 178.68 2qjp h HIS 97 N 0.13 0.59 0.00 1.13 2.76 0.36 -1.37 115.15 118.75 2qjp h HIS 97 Ca -0.10 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2qjp h HIS 97 Cb 1.79 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.65 2qjp h HIS 97 CO 0.06 0.98 0.00 0.00 -1.30 0.00 0.00 177.93 177.67 2qjp n ALA 98 N -2.51 -0.22 0.33 5.26 0.00 -0.33 -2.18 120.51 120.86 2qjp n ALA 98 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.53 2qjp n ALA 98 Cb 0.52 0.05 0.86 0.00 0.00 0.00 0.00 19.45 20.89 2qjp n ALA 98 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qjp h ASN 99 N 0.00 0.00 -0.15 0.00 2.35 -1.53 0.48 115.58 116.73 2qjp h ASN 99 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2qjp h ASN 99 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2qjp h ASN 99 CO 0.00 0.00 -0.17 1.23 -1.65 0.00 0.00 177.43 176.84 2qjp h GLY 100 N 0.00 0.59 0.92 2.83 0.00 -0.93 -1.57 103.07 104.91 2qjp h GLY 100 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2qjp h GLY 100 CO 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 176.54 176.90 2qjp h ALA 101 N 1.33 -0.11 -0.88 3.60 0.00 0.47 -0.16 119.26 123.51 2qjp h ALA 101 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2qjp h ALA 101 Cb 0.57 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2qjp h ALA 101 CO 0.04 -0.52 0.57 0.77 0.00 0.00 0.00 179.25 180.11 2qjp h SER 102 N -0.20 0.84 -0.08 0.00 0.02 -1.49 0.28 113.55 112.93 2qjp h SER 102 Ca -0.01 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2qjp h SER 102 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2qjp h SER 102 CO 0.02 0.52 -0.33 0.25 -1.14 0.00 0.00 176.83 176.15 2qjp h LEU 103 N 0.94 0.58 -0.51 5.07 5.85 -0.99 -0.94 115.31 125.31 2qjp h LEU 103 Ca 0.39 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2qjp h LEU 103 Cb 0.29 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2qjp h LEU 103 CO -0.15 0.87 0.32 0.15 -0.34 0.00 0.00 178.44 179.28 2qjp h PHE 104 N 0.48 0.67 0.02 1.25 3.04 0.92 -2.50 116.94 120.82 2qjp h PHE 104 Ca 0.06 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.84 2qjp h PHE 104 Cb 0.80 -0.22 0.02 0.00 2.56 0.00 0.00 35.95 39.10 2qjp h PHE 104 CO 0.03 0.45 -0.69 0.74 -2.02 0.00 0.00 178.31 176.82 2qjp h PHE 105 N 0.69 0.65 -0.90 0.41 0.04 -1.17 -2.37 116.94 114.29 2qjp h PHE 105 Ca 0.19 -0.37 0.18 0.00 2.80 0.00 0.00 57.97 60.77 2qjp h PHE 105 Cb -0.04 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 37.98 2qjp h PHE 105 CO -0.03 1.20 0.59 0.82 -0.60 0.00 0.00 178.31 180.29 2qjp h ILE 106 N -0.09 0.73 -0.25 -0.55 2.04 -1.18 -0.84 117.51 117.38 2qjp h ILE 106 Ca -0.09 -0.18 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 2qjp h ILE 106 Cb 1.41 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2qjp h ILE 106 CO 0.13 0.10 -0.51 0.00 0.00 0.00 0.00 178.15 177.87 2qjp h ALA 107 N 1.61 0.39 -0.32 1.87 0.00 -1.40 -2.68 119.26 118.73 2qjp h ALA 107 Ca 0.47 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2qjp h ALA 107 Cb 1.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2qjp h ALA 107 CO -0.20 0.58 -0.01 -0.39 0.00 0.00 0.00 179.25 179.22 2qjp h VAL 108 N 0.52 1.26 -0.55 0.00 -1.51 -0.65 0.39 116.25 115.72 2qjp h VAL 108 Ca 0.01 -0.98 0.07 0.00 -1.23 0.00 0.00 66.70 64.56 2qjp h VAL 108 Cb 1.12 1.28 -0.06 0.00 -2.13 0.00 0.00 31.29 31.50 2qjp h VAL 108 CO 0.11 0.32 0.25 1.88 -1.23 0.00 0.00 177.57 178.90 2qjp h TYR 109 N 0.36 0.45 -0.59 5.19 0.05 -1.34 2.65 116.97 123.74 2qjp h TYR 109 Ca 0.09 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.81 2qjp h TYR 109 Cb 0.46 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2qjp h TYR 109 CO 0.04 0.18 0.03 -0.07 -1.05 0.00 0.00 178.16 177.29 2qjp h LEU 110 N 0.47 0.99 -0.32 3.88 3.38 -1.29 0.25 115.31 122.67 2qjp h LEU 110 Ca 0.26 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 110 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2qjp h LEU 110 CO -0.22 1.04 0.19 -0.74 0.09 0.00 0.00 178.44 178.80 2qjp h HIS 111 N 0.92 0.43 0.66 1.13 2.76 0.19 -1.08 115.15 120.15 2qjp h HIS 111 Ca 0.17 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2qjp h HIS 111 Cb 0.51 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.33 2qjp h HIS 111 CO 0.04 0.33 -0.32 0.82 -1.30 0.00 0.00 177.93 177.50 2qjp h ILE 112 N 0.41 0.27 -0.07 6.26 2.04 0.49 -2.70 117.51 124.21 2qjp h ILE 112 Ca 0.11 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2qjp h ILE 112 Cb 0.03 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2qjp h ILE 112 CO -0.02 0.02 0.10 -0.26 0.00 0.00 0.00 178.15 177.99 2qjp h PHE 113 N -1.03 0.00 -0.25 1.37 0.04 -0.50 0.25 116.94 116.82 2qjp h PHE 113 Ca -0.09 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 2qjp h PHE 113 Cb 0.71 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 2qjp h PHE 113 CO -0.01 0.00 -0.04 -0.09 -0.60 0.00 0.00 178.31 177.57 2qjp h ARG 114 N 0.00 0.48 -0.33 1.51 1.12 -1.06 -2.46 114.38 113.63 2qjp h ARG 114 Ca 0.04 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 2qjp h ARG 114 Cb 0.23 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 2qjp h ARG 114 CO -0.00 0.69 0.22 0.78 -3.11 0.00 0.00 179.97 178.54 2qjp h GLY 115 N 0.23 0.47 0.70 2.80 0.00 -0.23 -2.13 103.07 104.90 2qjp h GLY 115 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.29 2qjp h GLY 115 CO 0.02 0.17 0.46 1.41 0.00 0.00 0.00 176.54 178.60 2qjp h LEU 116 N 0.44 0.71 -0.21 3.11 3.38 -1.07 -1.17 115.31 120.51 2qjp h LEU 116 Ca 0.12 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 2qjp h LEU 116 Cb -0.05 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qjp h LEU 116 CO -0.03 0.45 -0.65 0.22 0.09 0.00 0.00 178.44 178.52 2qjp h TYR 117 N 0.84 1.06 -0.15 1.13 5.03 -1.23 -3.29 116.97 120.36 2qjp h TYR 117 Ca 0.34 -0.43 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2qjp h TYR 117 Cb 0.18 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2qjp h TYR 117 CO -0.05 1.26 0.00 0.66 -1.32 0.00 0.00 178.16 178.70 2qjp n TYR 118 N -4.00 0.19 -3.04 -3.82 4.01 -0.82 -0.84 117.16 108.83 2qjp n TYR 118 Ca -0.06 -0.09 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 2qjp n TYR 118 Cb 0.68 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.75 2qjp n TYR 118 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qjp n GLY 119 N 1.23 -0.35 0.00 2.72 0.00 -0.48 -3.69 105.19 104.62 2qjp n GLY 119 Ca 0.17 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2qjp n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qjp n SER 120 N -2.03 0.00 -0.13 1.61 7.64 -0.97 -2.00 113.62 117.75 2qjp n SER 120 Ca -0.07 0.25 0.11 0.00 1.01 0.00 0.00 58.87 60.18 2qjp n SER 120 Cb 0.59 -0.39 0.09 0.00 -1.01 0.00 0.00 64.21 63.50 2qjp n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qjp n TYR 121 N -1.39 0.00 -2.82 1.43 0.18 -1.26 -4.66 117.16 108.64 2qjp n TYR 121 Ca 0.06 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.53 2qjp n TYR 121 Cb 0.17 -0.10 -0.05 0.00 -0.38 0.00 0.00 39.34 38.99 2qjp n TYR 121 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qjp s LYS 122 N -2.83 3.98 0.14 -3.48 1.02 -0.85 -3.78 119.74 113.95 2qjp s LYS 122 Ca 0.13 0.79 -0.23 0.00 0.02 0.00 0.00 55.97 56.67 2qjp s LYS 122 Cb 0.17 -2.29 -0.14 0.00 -0.52 0.00 0.00 37.83 35.05 2qjp s LYS 122 CO 0.71 -0.04 0.47 0.00 -0.92 0.00 0.00 175.35 175.57 2qjp n ALA 123 N -0.96 -2.56 -0.27 5.17 0.00 -1.26 -1.49 120.51 119.14 2qjp n ALA 123 Ca 0.05 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.88 2qjp n ALA 123 Cb 0.54 -1.30 0.26 0.00 0.00 0.00 0.00 19.45 18.95 2qjp n ALA 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qjp n PRO 124 N 0.84 3.44 -0.56 0.00 -0.04 -1.26 -4.95 135.00 132.48 2qjp n PRO 124 Ca 0.15 -2.08 -0.06 0.00 -0.04 0.00 0.00 63.50 61.47 2qjp n PRO 124 Cb 0.18 -1.99 0.13 0.00 -0.04 0.00 0.00 33.50 31.79 2qjp n PRO 124 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qjp n ARG 125 N 0.33 2.14 -0.14 0.54 1.74 -0.56 -4.50 116.66 116.21 2qjp n ARG 125 Ca 0.20 -1.55 -0.08 0.00 -0.77 0.00 0.00 57.85 55.65 2qjp n ARG 125 Cb 0.91 -1.71 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 2qjp n ARG 125 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2qjp h GLU 126 N 1.08 0.92 -0.44 5.56 3.07 -1.77 -2.39 114.58 120.61 2qjp h GLU 126 Ca 0.20 -0.33 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 2qjp h GLU 126 Cb 1.69 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.52 2qjp h GLU 126 CO 0.45 0.98 -0.14 0.28 -1.40 0.00 0.00 179.01 179.17 2qjp h VAL 127 N 0.82 1.27 -0.20 3.13 2.07 -1.91 0.19 116.25 121.62 2qjp h VAL 127 Ca 0.13 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.43 2qjp h VAL 127 Cb 0.64 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2qjp h VAL 127 CO 0.04 0.43 -0.11 0.74 0.02 0.00 0.00 177.57 178.70 2qjp h THR 128 N 0.69 0.67 0.05 2.57 2.02 -1.87 0.00 112.91 117.05 2qjp h THR 128 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 2qjp h THR 128 Cb 0.69 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2qjp h THR 128 CO 0.05 0.00 -0.12 -0.25 0.37 0.00 0.00 175.52 175.57 2qjp h TRP 129 N -0.09 -0.31 -0.14 3.16 2.91 -1.07 -0.40 115.95 120.02 2qjp h TRP 129 Ca 0.11 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2qjp h TRP 129 Cb 0.26 0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 2qjp h TRP 129 CO -0.27 -0.18 0.09 0.82 -1.03 0.00 0.00 178.44 177.87 2qjp h ILE 130 N -0.23 1.03 -0.92 2.65 1.08 -0.21 -0.44 117.51 120.47 2qjp h ILE 130 Ca 0.03 -0.06 0.10 0.00 -0.39 0.00 0.00 64.86 64.54 2qjp h ILE 130 Cb 0.26 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 2qjp h ILE 130 CO -0.08 0.03 0.56 0.58 -0.69 0.00 0.00 178.15 178.55 2qjp h VAL 131 N 0.18 0.94 -0.31 1.67 2.07 -0.88 -0.05 116.25 119.87 2qjp h VAL 131 Ca 0.05 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2qjp h VAL 131 Cb -0.02 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.63 2qjp h VAL 131 CO -0.01 0.17 -0.03 1.23 0.02 0.00 0.00 177.57 178.94 2qjp h GLY 132 N 0.93 0.26 0.70 2.17 0.00 0.06 -0.57 103.07 106.62 2qjp h GLY 132 Ca 0.44 0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.95 2qjp h GLY 132 CO -0.24 -0.09 0.54 -0.33 0.00 0.00 0.00 176.54 176.42 2qjp h MET 133 N 0.05 0.68 -0.51 4.80 2.07 0.54 -0.49 114.93 122.08 2qjp h MET 133 Ca 0.15 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.68 2qjp h MET 133 Cb 0.21 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 2qjp h MET 133 CO -0.28 0.45 0.09 -0.07 1.07 0.00 0.00 176.91 178.18 2qjp h LEU 134 N 0.70 0.79 -0.30 1.22 3.38 -0.25 -1.53 115.31 119.33 2qjp h LEU 134 Ca 0.40 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2qjp h LEU 134 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qjp h LEU 134 CO -0.16 0.84 0.15 0.40 0.09 0.00 0.00 178.44 179.76 2qjp h ILE 135 N 0.71 0.99 -0.46 1.22 2.04 -0.16 -0.18 117.51 121.68 2qjp h ILE 135 Ca 0.16 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.99 2qjp h ILE 135 Cb 0.38 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 2qjp h ILE 135 CO 0.01 0.06 0.03 0.22 0.00 0.00 0.00 178.15 178.46 2qjp h TYR 136 N 0.31 0.02 0.07 1.37 3.20 -0.71 1.00 116.97 122.23 2qjp h TYR 136 Ca 0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2qjp h TYR 136 Cb 0.04 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2qjp h TYR 136 CO -0.10 -0.07 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.25 2qjp h LEU 137 N 0.14 -0.08 -0.37 2.82 3.38 -0.86 -0.92 115.31 119.41 2qjp h LEU 137 Ca 0.23 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2qjp h LEU 137 Cb 0.33 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2qjp h LEU 137 CO -0.36 -0.02 -0.05 0.00 0.09 0.00 0.00 178.44 178.10 2qjp h ALA 138 N 0.78 0.29 -0.10 1.53 0.00 -0.03 0.97 119.26 122.70 2qjp h ALA 138 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2qjp h ALA 138 Cb 0.11 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2qjp h ALA 138 CO 0.02 -0.43 -0.30 0.52 0.00 0.00 0.00 179.25 179.05 2qjp h MET 139 N 0.04 -0.37 -0.49 0.00 2.86 0.13 0.30 114.93 117.40 2qjp h MET 139 Ca 0.18 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2qjp h MET 139 Cb 0.27 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2qjp h MET 139 CO -0.35 -0.25 0.23 0.52 1.06 0.00 0.00 176.91 178.12 2qjp h MET 140 N -0.39 0.45 0.30 1.72 2.07 -0.52 0.14 114.93 118.70 2qjp h MET 140 Ca 0.09 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 2qjp h MET 140 Cb 0.53 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 2qjp h MET 140 CO -0.32 0.30 -0.36 0.00 1.07 0.00 0.00 176.91 177.60 2qjp h ALA 141 N 1.27 -0.73 -0.05 6.32 0.00 -0.12 -0.08 119.26 125.87 2qjp h ALA 141 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2qjp h ALA 141 Cb 0.14 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2qjp h ALA 141 CO -0.16 -0.95 -0.48 1.15 0.00 0.00 0.00 179.25 178.81 2qjp h THR 142 N -0.70 0.08 -0.95 0.00 2.02 0.16 -1.23 112.91 112.28 2qjp h THR 142 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2qjp h THR 142 Cb 0.65 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 67.05 2qjp h THR 142 CO -0.10 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.37 2qjp h ALA 143 N -0.16 1.45 0.35 6.16 0.00 -0.63 0.11 119.26 126.55 2qjp h ALA 143 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qjp h ALA 143 Cb 0.68 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qjp h ALA 143 CO -0.37 0.13 -0.30 0.35 0.00 0.00 0.00 179.25 179.06 2qjp h PHE 144 N 0.88 -0.80 -0.89 0.00 3.57 0.10 -1.54 116.94 118.27 2qjp h PHE 144 Ca 0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.98 2qjp h PHE 144 Cb 0.54 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 2qjp h PHE 144 CO -0.02 -0.44 0.52 0.52 -2.23 0.00 0.00 178.31 176.66 2qjp h MET 145 N -0.66 1.21 -0.16 1.11 2.86 -0.66 -2.86 114.93 115.77 2qjp h MET 145 Ca -0.03 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2qjp h MET 145 Cb 0.59 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2qjp h MET 145 CO -0.03 0.86 -0.06 0.78 1.06 0.00 0.00 176.91 179.52 2qjp h GLY 146 N 1.22 0.09 1.42 8.32 0.00 -0.76 -1.88 103.07 111.49 2qjp h GLY 146 Ca 0.32 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.76 2qjp h GLY 146 CO -0.06 -0.08 0.25 -1.82 0.00 0.00 0.00 176.54 174.83 2qjp h TYR 147 N -0.04 0.00 0.01 5.60 3.20 -1.06 -1.71 116.97 122.98 2qjp h TYR 147 Ca 0.08 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.71 2qjp h TYR 147 Cb 0.16 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.44 2qjp h TYR 147 CO -0.20 0.00 -1.00 0.28 -1.64 0.00 0.00 178.16 175.60 2qjp h VAL 148 N 0.00 1.37 -0.93 1.81 2.07 -1.26 -3.37 116.25 115.94 2qjp h VAL 148 Ca 0.07 -2.43 0.27 0.00 0.82 0.00 0.00 66.70 65.42 2qjp h VAL 148 Cb 0.56 2.45 -0.16 0.00 -1.52 0.00 0.00 31.29 32.62 2qjp h VAL 148 CO -0.00 0.73 0.17 -0.07 0.02 0.00 0.00 177.57 178.42 2qjp h LEU 149 N 0.26 -0.19 -2.00 2.57 3.38 -1.27 0.30 115.31 118.36 2qjp h LEU 149 Ca -0.10 0.24 0.14 0.00 0.09 0.00 0.00 57.88 58.26 2qjp h LEU 149 Cb 1.64 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 2qjp h LEU 149 CO 0.18 -0.28 0.36 -0.65 0.09 0.00 0.00 178.44 178.14 2qjp h PRO 150 N 0.09 0.00 -4.46 1.13 0.11 -1.76 -3.43 132.00 123.69 2qjp h PRO 150 Ca 0.60 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.44 2qjp h PRO 150 Cb 1.28 0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.49 2qjp h PRO 150 CO -0.79 0.00 -0.49 1.87 -0.21 0.00 0.00 178.00 178.38 2qjp n TRP 151 N -4.36 -1.95 -2.59 0.65 -0.00 0.09 -3.05 117.44 106.23 2qjp n TRP 151 Ca 0.09 0.71 -0.13 0.00 -0.00 0.00 0.00 57.50 58.17 2qjp n TRP 151 Cb 0.58 -3.92 0.06 0.00 -0.00 0.00 0.00 31.31 28.03 2qjp n TRP 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2qjp n GLY 152 N -1.48 0.98 0.19 5.87 0.00 -1.26 -1.61 105.19 107.88 2qjp n GLY 152 Ca -0.03 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 2qjp n GLY 152 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qjp h GLN 153 N 0.00 -0.33 -0.29 1.61 1.08 -0.53 -1.39 115.11 115.27 2qjp h GLN 153 Ca -0.19 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2qjp h GLN 153 Cb 0.73 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2qjp h GLN 153 CO 0.22 -0.22 0.19 0.52 -0.95 0.00 0.00 178.83 178.59 2qjp h MET 154 N -0.34 0.38 0.17 1.46 2.86 -1.86 -2.50 114.93 115.09 2qjp h MET 154 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2qjp h MET 154 Cb 0.31 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2qjp h MET 154 CO -0.02 0.25 -0.08 0.77 1.06 0.00 0.00 176.91 178.89 2qjp h SER 155 N 0.39 -0.19 0.52 1.22 0.02 -1.62 -1.61 113.55 112.28 2qjp h SER 155 Ca 0.10 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2qjp h SER 155 Cb -0.04 0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2qjp h SER 155 CO -0.02 -0.05 -0.25 0.15 -1.14 0.00 0.00 176.83 175.52 2qjp h PHE 156 N -0.32 -0.64 0.00 3.45 3.57 -0.90 -1.44 116.94 120.66 2qjp h PHE 156 Ca -0.02 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2qjp h PHE 156 Cb 0.25 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2qjp h PHE 156 CO -0.04 -0.35 -0.34 -1.49 -2.23 0.00 0.00 178.31 173.86 2qjp h TRP 157 N -0.80 0.00 -0.52 0.41 4.06 -1.57 0.76 115.95 118.29 2qjp h TRP 157 Ca -0.07 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.76 2qjp h TRP 157 Cb 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 2qjp h TRP 157 CO -0.02 0.34 -0.12 0.78 -3.56 0.00 0.00 178.44 175.86 2qjp h GLY 158 N 1.21 1.09 1.00 1.49 0.00 -1.27 -0.30 103.07 106.29 2qjp h GLY 158 Ca -0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.41 2qjp h GLY 158 CO 0.04 0.82 0.34 0.00 0.00 0.00 0.00 176.54 177.74 2qjp h ALA 159 N 0.91 0.87 0.53 3.60 0.00 -0.11 -1.87 119.26 123.19 2qjp h ALA 159 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qjp h ALA 159 Cb 0.69 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qjp h ALA 159 CO 0.05 0.42 -0.26 1.15 0.00 0.00 0.00 179.25 180.61 2qjp h THR 160 N 0.94 0.44 -0.70 0.00 2.02 -0.50 -2.60 112.91 112.50 2qjp h THR 160 Ca 0.23 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.24 2qjp h THR 160 Cb 0.09 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2qjp h THR 160 CO -0.03 0.03 0.46 0.58 0.37 0.00 0.00 175.52 176.93 2qjp h VAL 161 N -0.85 1.10 0.07 3.16 2.07 -0.99 -0.71 116.25 120.09 2qjp h VAL 161 Ca -0.07 -0.29 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 2qjp h VAL 161 Cb 0.60 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2qjp h VAL 161 CO 0.12 0.15 -1.11 0.40 0.02 0.00 0.00 177.57 177.16 2qjp h ILE 162 N 0.84 1.38 -0.22 4.57 2.04 -1.37 -2.86 117.51 121.89 2qjp h ILE 162 Ca 0.28 -2.58 -0.14 0.00 1.00 0.00 0.00 64.86 63.42 2qjp h ILE 162 Cb 0.07 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 2qjp h ILE 162 CO -0.08 0.77 -0.44 0.71 0.00 0.00 0.00 178.15 179.12 2qjp h THR 163 N 0.21 1.31 -0.56 -0.27 1.35 -1.31 -2.85 112.91 110.79 2qjp h THR 163 Ca -0.13 -1.62 0.12 0.00 -0.55 0.00 0.00 66.41 64.23 2qjp h THR 163 Cb 1.77 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 69.77 2qjp h THR 163 CO 0.20 0.51 0.38 1.23 -0.25 0.00 0.00 175.52 177.59 2qjp h GLY 164 N 1.06 0.36 0.50 5.82 0.00 -1.06 -1.59 103.07 108.16 2qjp h GLY 164 Ca 0.03 -0.10 0.17 0.00 0.00 0.00 0.00 47.33 47.44 2qjp h GLY 164 CO 0.08 0.05 0.55 1.41 0.00 0.00 0.00 176.54 178.64 2qjp h LEU 165 N 0.24 0.41 -0.23 3.11 3.38 -1.27 0.13 115.31 121.09 2qjp h LEU 165 Ca 0.26 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 2qjp h LEU 165 Cb 0.72 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2qjp h LEU 165 CO -0.05 0.19 -0.36 -0.26 0.09 0.00 0.00 178.44 178.05 2qjp h PHE 166 N 0.43 0.00 -0.08 1.13 -1.00 -1.45 -3.04 116.94 112.92 2qjp h PHE 166 Ca 0.42 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.19 2qjp h PHE 166 Cb 0.99 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 2qjp h PHE 166 CO -0.00 0.36 0.01 0.41 -1.61 0.00 0.00 178.31 177.48 2qjp n GLY 167 N 0.98 1.80 0.05 -1.45 0.00 0.46 -2.56 105.19 104.47 2qjp n GLY 167 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.94 2qjp n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjp n ALA 168 N 0.12 2.57 -2.32 4.61 0.00 -1.15 -4.57 120.51 119.77 2qjp n ALA 168 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2qjp n ALA 168 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 2qjp n ALA 168 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qjp s ILE 169 N -1.19 3.88 0.33 0.00 1.01 -1.06 -4.64 121.20 119.53 2qjp s ILE 169 Ca 0.03 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 2qjp s ILE 169 Cb 0.04 -3.82 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 2qjp s ILE 169 CO 0.16 0.03 1.52 -2.65 0.00 0.00 0.00 174.94 174.00 2qjp n PRO 170 N 4.86 2.63 0.00 2.79 -0.02 -1.26 -1.70 135.00 142.30 2qjp n PRO 170 Ca 0.11 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2qjp n PRO 170 Cb 0.45 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2qjp n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qjp n GLY 171 N 1.30 2.24 0.14 -1.23 0.00 -1.26 -4.18 105.19 102.19 2qjp n GLY 171 Ca 0.05 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2qjp n GLY 171 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2qjp h ILE 172 N 0.00 0.00 -0.61 -0.61 3.07 -1.97 -3.40 117.51 113.99 2qjp h ILE 172 Ca 0.00 -0.48 0.05 0.00 1.55 0.00 0.00 64.86 65.98 2qjp h ILE 172 Cb 0.00 1.41 -0.07 0.00 -0.27 0.00 0.00 36.82 37.89 2qjp h ILE 172 CO 0.00 0.00 -0.36 0.61 -1.05 0.00 0.00 178.15 177.35 2qjp n GLY 173 N 0.83 -2.55 0.29 0.16 0.00 -0.69 -1.30 105.19 101.94 2qjp n GLY 173 Ca 0.04 0.90 0.15 0.00 0.00 0.00 0.00 46.02 47.12 2qjp n GLY 173 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qjp h HIS 174 N 0.00 0.00 0.41 1.61 -0.00 -1.80 -1.30 115.15 114.07 2qjp h HIS 174 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2qjp h HIS 174 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2qjp h HIS 174 CO -0.92 0.02 -0.20 0.77 -0.00 0.00 0.00 177.93 177.61 2qjp h SER 175 N 0.00 -0.47 -0.72 3.26 0.02 -1.49 -2.17 113.55 111.99 2qjp h SER 175 Ca -0.00 -0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 2qjp h SER 175 Cb 0.06 0.12 -0.12 0.00 0.14 0.00 0.00 62.40 62.60 2qjp h SER 175 CO 0.00 -0.03 0.09 0.40 -1.14 0.00 0.00 176.83 176.15 2qjp h ILE 176 N -1.11 0.45 -0.68 3.27 2.04 -1.04 -0.25 117.51 120.19 2qjp h ILE 176 Ca -0.06 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2qjp h ILE 176 Cb 0.47 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2qjp h ILE 176 CO 0.09 0.03 0.29 -0.61 0.00 0.00 0.00 178.15 177.96 2qjp h GLN 177 N 0.18 0.99 0.00 2.37 4.15 -1.30 -1.12 115.11 120.38 2qjp h GLN 177 Ca 0.40 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 2qjp h GLN 177 Cb 0.68 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2qjp h GLN 177 CO -0.56 0.79 -0.39 1.15 -1.93 0.00 0.00 178.83 177.89 2qjp h THR 178 N 0.97 0.95 -0.03 2.39 2.02 -0.40 -2.31 112.91 116.50 2qjp h THR 178 Ca 0.23 -1.54 -0.26 0.00 0.77 0.00 0.00 66.41 65.62 2qjp h THR 178 Cb 0.15 1.92 0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2qjp h THR 178 CO -0.02 0.38 -1.00 -0.25 0.37 0.00 0.00 175.52 175.00 2qjp h TRP 179 N 0.00 1.04 -0.28 3.16 7.01 -0.76 0.27 115.95 126.39 2qjp h TRP 179 Ca -0.00 -0.55 -0.09 0.00 2.11 0.00 0.00 58.89 60.36 2qjp h TRP 179 Cb 0.89 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 2qjp h TRP 179 CO 0.00 1.38 -0.20 -0.07 -2.79 0.00 0.00 178.44 176.76 2qjp h LEU 180 N 0.42 0.50 0.00 0.65 3.38 -1.03 -3.02 115.31 116.21 2qjp h LEU 180 Ca -0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qjp h LEU 180 Cb 1.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2qjp h LEU 180 CO 0.20 0.71 -0.71 0.18 0.09 0.00 0.00 178.44 178.90 2qjp n LEU 181 N -4.15 0.69 -1.50 1.67 4.77 -0.89 -4.80 117.00 112.79 2qjp n LEU 181 Ca 0.00 0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 2qjp n LEU 181 Cb 0.37 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 2qjp n LEU 181 CO 0.41 -0.04 -0.17 0.61 -1.33 0.00 0.00 177.39 176.88 2qjp n GLY 182 N 1.34 1.69 1.91 -0.72 0.00 0.08 -3.86 105.19 105.62 2qjp n GLY 182 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2qjp n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjp n GLY 183 N -0.31 0.43 0.15 -0.02 0.00 -1.18 -4.93 105.19 99.32 2qjp n GLY 183 Ca -0.18 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.04 2qjp n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qjp n PRO 184 N -0.44 1.20 -3.83 1.61 -0.04 -1.26 -4.74 135.00 127.51 2qjp n PRO 184 Ca 0.02 -0.30 -0.07 0.00 -0.04 0.00 0.00 63.50 63.12 2qjp n PRO 184 Cb 0.28 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2qjp n PRO 184 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjp s ALA 185 N -1.98 -1.09 -0.09 0.55 0.00 -1.26 -5.11 121.76 112.79 2qjp s ALA 185 Ca 0.39 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2qjp s ALA 185 Cb 0.19 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 2qjp s ALA 185 CO 0.31 -1.02 1.13 0.08 0.00 0.00 0.00 175.76 176.26 2qjp s VAL 186 N -2.76 4.47 0.00 0.00 1.01 -1.26 -4.86 120.40 117.00 2qjp s VAL 186 Ca 0.15 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2qjp s VAL 186 Cb -0.05 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2qjp s VAL 186 CO 0.08 -0.02 0.00 -0.67 0.00 0.00 0.00 175.10 174.50 2qjp n ASP 187 N 5.27 0.00 -0.25 3.32 2.03 -1.26 -5.00 116.55 120.65 2qjp n ASP 187 Ca 0.10 -0.70 0.06 0.00 0.52 0.00 0.00 54.79 54.77 2qjp n ASP 187 Cb 0.47 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.05 2qjp n ASP 187 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2qjp h ASN 188 N 0.00 0.11 -0.80 1.67 -1.24 -1.94 0.16 115.58 113.53 2qjp h ASN 188 Ca 0.00 0.13 0.12 0.00 0.71 0.00 0.00 56.30 57.26 2qjp h ASN 188 Cb 0.00 0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.15 2qjp h ASN 188 CO 0.00 0.01 0.52 0.00 -1.29 0.00 0.00 177.43 176.67 2qjp h ALA 189 N 1.59 1.87 0.02 1.57 0.00 -1.92 0.13 119.26 122.52 2qjp h ALA 189 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2qjp h ALA 189 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qjp h ALA 189 CO -0.47 -0.06 -0.01 1.15 0.00 0.00 0.00 179.25 179.86 2qjp h THR 190 N 0.63 1.37 -0.33 0.00 2.02 -0.83 -2.76 112.91 113.02 2qjp h THR 190 Ca 0.38 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.36 2qjp h THR 190 Cb 0.61 2.22 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 2qjp h THR 190 CO -0.15 0.32 -0.05 0.25 0.37 0.00 0.00 175.52 176.27 2qjp h LEU 191 N -0.59 -0.23 -1.25 2.58 5.85 -0.59 -1.40 115.31 119.70 2qjp h LEU 191 Ca -0.00 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2qjp h LEU 191 Cb 0.55 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2qjp h LEU 191 CO 0.00 -0.08 0.55 -1.13 -0.34 0.00 0.00 178.44 177.45 2qjp h ASN 192 N 0.04 0.79 1.11 1.25 -0.00 -0.81 -0.96 115.58 117.00 2qjp h ASN 192 Ca 0.16 0.01 -0.15 0.00 -0.00 0.00 0.00 56.30 56.31 2qjp h ASN 192 Cb 0.23 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.37 2qjp h ASN 192 CO -0.31 0.50 -0.93 0.08 -0.00 0.00 0.00 177.43 176.77 2qjp h ARG 193 N 0.89 0.00 -0.48 6.67 0.11 -1.17 -3.09 114.38 117.31 2qjp h ARG 193 Ca 0.37 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.32 2qjp h ARG 193 Cb 0.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 2qjp h ARG 193 CO -0.14 0.53 -0.21 0.74 0.10 0.00 0.00 179.97 181.00 2qjp h PHE 194 N 0.00 1.13 0.16 4.08 -1.00 -0.62 -1.28 116.94 119.42 2qjp h PHE 194 Ca -0.07 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.45 2qjp h PHE 194 Cb 1.55 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.83 2qjp h PHE 194 CO 0.00 1.09 -0.21 0.35 -1.61 0.00 0.00 178.31 177.93 2qjp h PHE 195 N 0.85 -0.57 -0.53 -0.55 3.57 -1.22 0.43 116.94 118.93 2qjp h PHE 195 Ca 0.11 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2qjp h PHE 195 Cb 0.79 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 2qjp h PHE 195 CO 0.05 -0.31 0.19 1.03 -2.23 0.00 0.00 178.31 177.04 2qjp h SER 196 N -0.43 0.19 0.30 0.41 0.87 -1.44 -1.72 113.55 111.74 2qjp h SER 196 Ca 0.01 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 2qjp h SER 196 Cb 0.43 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2qjp h SER 196 CO -0.09 0.13 -0.52 -0.07 -0.53 0.00 0.00 176.83 175.76 2qjp h LEU 197 N 0.37 0.26 -1.10 2.23 3.38 -0.83 -1.96 115.31 117.66 2qjp h LEU 197 Ca 0.26 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2qjp h LEU 197 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2qjp h LEU 197 CO -0.26 0.73 -0.02 -0.74 0.09 0.00 0.00 178.44 178.25 2qjp h HIS 198 N 0.19 0.64 -0.16 1.13 2.76 0.45 0.17 115.15 120.33 2qjp h HIS 198 Ca 0.01 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.00 2qjp h HIS 198 Cb 0.98 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2qjp h HIS 198 CO 0.02 0.63 -0.27 -0.92 -1.30 0.00 0.00 177.93 176.08 2qjp h TYR 199 N 0.58 0.57 -0.27 5.26 5.03 -1.10 -3.35 116.97 123.69 2qjp h TYR 199 Ca 0.12 -0.20 -0.08 0.00 2.58 0.00 0.00 58.73 61.15 2qjp h TYR 199 Cb 0.39 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2qjp h TYR 199 CO 0.02 0.90 -0.13 1.25 -1.32 0.00 0.00 178.16 178.88 2qjp h LEU 200 N 0.08 0.58 -0.76 2.82 5.85 -0.97 -3.35 115.31 119.56 2qjp h LEU 200 Ca 0.01 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.44 2qjp h LEU 200 Cb 0.86 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 2qjp h LEU 200 CO 0.06 0.86 0.37 -0.07 -0.34 0.00 0.00 178.44 179.32 2qjp h LEU 201 N 0.30 0.46 -1.78 2.25 3.38 -1.10 -2.32 115.31 116.49 2qjp h LEU 201 Ca 0.06 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.28 2qjp h LEU 201 Cb 0.64 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2qjp h LEU 201 CO 0.04 0.23 0.48 -0.65 0.09 0.00 0.00 178.44 178.63 2qjp h PRO 202 N 0.59 0.20 0.00 1.13 0.11 -1.72 0.20 132.00 132.51 2qjp h PRO 202 Ca 0.39 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.38 2qjp h PRO 202 Cb 0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 2qjp h PRO 202 CO -0.32 0.13 -0.56 0.74 -0.21 0.00 0.00 178.00 177.79 2qjp h PHE 203 N 0.21 0.00 -0.13 0.65 0.04 -1.62 -0.32 116.94 115.76 2qjp h PHE 203 Ca 0.34 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.99 2qjp h PHE 203 Cb 1.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 2qjp h PHE 203 CO -0.00 0.56 -0.38 0.28 -0.60 0.00 0.00 178.31 178.16 2qjp h VAL 204 N 0.00 1.36 -0.40 -0.55 2.07 -0.68 -1.61 116.25 116.44 2qjp h VAL 204 Ca -0.01 -1.68 0.05 0.00 0.82 0.00 0.00 66.70 65.88 2qjp h VAL 204 Cb 1.01 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 2qjp h VAL 204 CO 0.07 0.50 0.15 0.40 0.02 0.00 0.00 177.57 178.72 2qjp h ILE 205 N 0.11 0.89 -0.46 4.57 2.04 -0.92 0.68 117.51 124.42 2qjp h ILE 205 Ca -0.01 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.82 2qjp h ILE 205 Cb 1.00 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 2qjp h ILE 205 CO 0.08 0.06 0.04 0.00 0.00 0.00 0.00 178.15 178.33 2qjp h ALA 206 N 1.26 0.46 -0.65 1.87 0.00 -0.91 0.59 119.26 121.88 2qjp h ALA 206 Ca 0.19 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2qjp h ALA 206 Cb 0.16 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2qjp h ALA 206 CO -0.18 -0.36 0.13 0.00 0.00 0.00 0.00 179.25 178.84 2qjp h ALA 207 N 1.38 1.00 -0.50 0.00 0.00 -0.62 -1.53 119.26 118.98 2qjp h ALA 207 Ca 0.23 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2qjp h ALA 207 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qjp h ALA 207 CO -0.34 0.64 0.08 -0.07 0.00 0.00 0.00 179.25 179.56 2qjp h LEU 208 N 0.99 0.81 -1.50 0.00 3.38 0.40 -2.07 115.31 117.31 2qjp h LEU 208 Ca 0.20 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2qjp h LEU 208 Cb 0.39 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2qjp h LEU 208 CO 0.01 0.87 0.41 0.58 0.09 0.00 0.00 178.44 180.39 2qjp h VAL 209 N 0.72 1.01 -0.09 1.22 2.07 0.67 0.38 116.25 122.23 2qjp h VAL 209 Ca 0.15 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qjp h VAL 209 Cb 0.41 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2qjp h VAL 209 CO 0.01 0.11 0.06 0.00 0.02 0.00 0.00 177.57 177.77 2qjp h ALA 210 N 1.66 0.11 -0.62 1.67 0.00 -0.60 -0.20 119.26 121.28 2qjp h ALA 210 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2qjp h ALA 210 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qjp h ALA 210 CO -0.08 -0.40 0.08 0.82 0.00 0.00 0.00 179.25 179.67 2qjp h ILE 211 N 0.12 1.26 0.03 0.00 2.04 -0.74 -1.27 117.51 118.94 2qjp h ILE 211 Ca 0.03 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.89 2qjp h ILE 211 Cb -0.01 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2qjp h ILE 211 CO -0.01 0.38 -0.29 -0.74 0.00 0.00 0.00 178.15 177.50 2qjp h HIS 212 N 0.95 -0.78 -0.10 1.37 2.76 0.18 0.41 115.15 119.95 2qjp h HIS 212 Ca 0.19 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 2qjp h HIS 212 Cb 0.45 0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 2qjp h HIS 212 CO 0.03 -0.38 -0.20 0.82 -1.30 0.00 0.00 177.93 176.90 2qjp h ILE 213 N -0.45 0.51 -0.93 6.26 2.04 -0.85 -0.84 117.51 123.25 2qjp h ILE 213 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.05 2qjp h ILE 213 Cb 0.52 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 2qjp h ILE 213 CO -0.23 0.00 0.55 -0.25 0.00 0.00 0.00 178.15 178.22 2qjp h TRP 214 N -0.26 0.98 0.26 1.37 7.01 -0.70 -1.90 115.95 122.71 2qjp h TRP 214 Ca 0.09 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.13 2qjp h TRP 214 Cb 0.39 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 2qjp h TRP 214 CO -0.29 0.33 -0.42 0.00 -2.79 0.00 0.00 178.44 175.26 2qjp h ALA 215 N 1.55 -0.84 0.00 2.65 0.00 0.13 -1.89 119.26 120.85 2qjp h ALA 215 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2qjp h ALA 215 Cb 0.58 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qjp h ALA 215 CO -0.31 -1.03 0.00 0.27 0.00 0.00 0.00 179.25 178.19 2qjp h PHE 216 N -0.75 0.00 0.00 0.00 -5.15 -1.11 -2.38 116.94 107.55 2qjp h PHE 216 Ca -0.01 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.66 2qjp h PHE 216 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.88 2qjp h PHE 216 CO -0.30 0.00 -0.47 0.45 -2.00 0.00 0.00 178.31 175.99 2qjp h HIS 217 N 0.00 0.00 -0.06 6.09 3.86 -0.99 0.68 115.15 124.73 2qjp h HIS 217 Ca 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2qjp h HIS 217 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2qjp h HIS 217 CO 0.00 0.47 -0.64 0.77 0.86 0.00 0.00 177.93 179.39 2qjp h SER 218 N 0.00 0.28 0.00 2.45 0.02 -0.81 -3.32 113.55 112.17 2qjp h SER 218 Ca -0.00 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2qjp h SER 218 Cb 0.98 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2qjp h SER 218 CO 0.06 0.84 -1.87 0.35 -1.14 0.00 0.00 176.83 175.07 2qjp n THR 219 N -3.84 0.37 0.00 -2.27 -2.24 -1.12 -4.74 114.28 100.43 2qjp n THR 219 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2qjp n THR 219 Cb 0.64 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2qjp n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qjp n GLY 220 N 1.71 1.40 3.78 3.38 0.00 0.24 -4.99 105.19 110.71 2qjp n GLY 220 Ca -0.11 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 2qjp n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qjp s ASN 221 N -0.44 6.07 0.26 1.61 0.01 -1.25 -4.85 114.94 116.35 2qjp s ASN 221 Ca 0.00 2.10 -0.16 0.00 -0.71 0.00 0.00 52.86 54.08 2qjp s ASN 221 Cb 0.00 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 2qjp s ASN 221 CO 0.00 -0.98 0.71 0.21 -1.51 0.00 0.00 177.10 175.53 2qjp s ASN 222 N -1.78 6.88 0.44 -1.22 2.47 -1.26 -4.84 114.94 115.64 2qjp s ASN 222 Ca 0.69 1.30 0.07 0.00 0.42 0.00 0.00 52.86 55.33 2qjp s ASN 222 Cb -0.22 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 2qjp s ASN 222 CO 0.25 -0.08 0.21 0.54 -3.72 0.00 0.00 177.10 174.31 2qjp s ASN 223 N -1.99 4.47 0.20 -4.21 2.20 -1.26 -5.02 114.94 109.34 2qjp s ASN 223 Ca 0.48 -1.13 0.13 0.00 -0.94 0.00 0.00 52.86 51.39 2qjp s ASN 223 Cb -0.13 -0.26 0.69 0.00 -2.00 0.00 0.00 41.25 39.54 2qjp s ASN 223 CO 0.19 -0.67 1.36 -2.65 -2.94 0.00 0.00 177.10 172.40 2qjp n PRO 224 N -1.34 0.08 0.00 3.55 -0.02 -1.26 -1.89 135.00 134.12 2qjp n PRO 224 Ca -0.02 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2qjp n PRO 224 Cb 0.65 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 2qjp n PRO 224 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qjp n THR 225 N -1.94 0.00 -0.81 3.45 -2.24 -1.26 -4.78 114.28 106.69 2qjp n THR 225 Ca -0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2qjp n THR 225 Cb 0.07 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2qjp n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qjp n GLY 226 N 1.40 0.33 3.65 3.38 0.00 -0.79 -4.49 105.19 108.66 2qjp n GLY 226 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2qjp n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjp s VAL 227 N -1.90 5.13 0.86 1.61 1.01 -1.26 -4.75 120.40 121.10 2qjp s VAL 227 Ca 0.00 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 2qjp s VAL 227 Cb 0.00 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.70 2qjp s VAL 227 CO 0.00 0.18 1.13 -1.61 0.00 0.00 0.00 175.10 174.80 2qjp s GLU 228 N 1.73 1.43 0.40 2.72 0.41 -1.26 -4.72 118.70 119.42 2qjp s GLU 228 Ca 0.21 1.45 -0.24 0.00 -0.41 0.00 0.00 54.97 55.98 2qjp s GLU 228 Cb -0.15 -1.78 -0.09 0.00 -1.78 0.00 0.00 34.13 30.33 2qjp s GLU 228 CO 0.09 -2.31 1.08 0.08 -0.49 0.00 0.00 175.26 173.72 2qjp s VAL 229 N -2.70 3.55 0.18 2.63 1.01 -1.26 -4.68 120.40 119.13 2qjp s VAL 229 Ca 0.65 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 2qjp s VAL 229 Cb -0.21 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2qjp s VAL 229 CO 0.57 0.03 1.15 -0.13 0.00 0.00 0.00 175.10 176.72 2qjp s ARG 230 N -2.47 4.53 -0.16 2.72 0.52 -1.26 -4.94 118.95 117.89 2qjp s ARG 230 Ca 0.58 1.80 0.14 0.00 -0.52 0.00 0.00 55.73 57.74 2qjp s ARG 230 Cb -0.24 -3.26 0.40 0.00 0.52 0.00 0.00 34.95 32.37 2qjp s ARG 230 CO 0.30 -0.02 1.20 0.54 0.02 0.00 0.00 175.30 177.34 2qjp n ARG 231 N 2.48 1.23 0.01 3.54 1.74 -1.26 -3.99 116.66 120.41 2qjp n ARG 231 Ca 0.04 -2.94 0.11 0.00 -0.77 0.00 0.00 57.85 54.29 2qjp n ARG 231 Cb 0.45 -1.29 0.09 0.00 -1.02 0.00 0.00 32.46 30.70 2qjp n ARG 231 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qjp n THR 232 N -0.83 0.08 -3.65 0.55 -2.24 -1.26 -4.84 114.28 102.09 2qjp n THR 232 Ca 0.16 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2qjp n THR 232 Cb 0.77 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 69.29 2qjp n THR 232 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qjp s SER 233 N -3.40 -0.15 0.58 3.42 1.04 -1.26 -5.00 113.70 108.93 2qjp s SER 233 Ca 0.08 0.27 0.30 0.00 0.48 0.00 0.00 55.95 57.08 2qjp s SER 233 Cb 0.16 0.52 1.43 0.00 0.10 0.00 0.00 66.02 68.23 2qjp s SER 233 CO 0.77 -0.05 1.81 0.11 0.98 0.00 0.00 173.24 176.87 2qjp h LYS 234 N 3.99 0.00 0.51 4.02 1.57 -1.93 -0.01 116.57 124.72 2qjp h LYS 234 Ca -0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2qjp h LYS 234 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 2qjp h LYS 234 CO 0.18 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.73 2qjp h ALA 235 N 1.35 -1.13 0.00 3.86 0.00 -1.94 -2.33 119.26 119.07 2qjp h ALA 235 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qjp h ALA 235 Cb 1.61 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 2qjp h ALA 235 CO -0.00 -1.11 -0.07 1.05 0.00 0.00 0.00 179.25 179.11 2qjp h GLU 236 N -0.79 0.00 -0.57 0.00 4.11 -1.69 -3.18 114.58 112.45 2qjp h GLU 236 Ca -0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 2qjp h GLU 236 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2qjp h GLU 236 CO 0.05 0.05 0.17 0.00 0.07 0.00 0.00 179.01 179.36 2qjp h ALA 237 N 1.94 1.22 0.00 1.06 0.00 -1.03 -0.50 119.26 121.94 2qjp h ALA 237 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qjp h ALA 237 Cb 1.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qjp h ALA 237 CO 0.01 0.55 0.00 1.96 0.00 0.00 0.00 179.25 181.76 2qjp h GLN 238 N 0.84 0.00 -0.32 0.00 4.20 -1.40 -1.78 115.11 116.66 2qjp h GLN 238 Ca 0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2qjp h GLN 238 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2qjp h GLN 238 CO -0.01 0.00 -0.35 0.87 -0.67 0.00 0.00 178.83 178.67 2qjp h LYS 239 N 0.00 0.73 0.00 1.46 1.57 -1.11 -3.22 116.57 116.00 2qjp h LYS 239 Ca 0.00 -0.36 -0.17 0.00 -1.87 0.00 0.00 60.65 58.26 2qjp h LYS 239 Cb 0.66 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2qjp h LYS 239 CO 0.00 0.97 -1.23 -0.44 -0.57 0.00 0.00 179.45 178.18 2qjp h ASP 240 N 0.61 0.00 -5.05 0.86 3.32 -1.26 -3.39 116.42 111.51 2qjp h ASP 240 Ca 0.06 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.55 2qjp h ASP 240 Cb 0.89 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 2qjp h ASP 240 CO 0.08 0.62 -0.36 0.35 -1.72 0.00 0.00 179.24 178.21 2qjp n THR 241 N -3.00 0.00 -3.71 0.35 -2.24 -0.69 -1.45 114.28 103.54 2qjp n THR 241 Ca -0.07 -2.04 -0.14 0.00 -2.27 0.00 0.00 64.05 59.52 2qjp n THR 241 Cb 0.84 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 2qjp n THR 241 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2qjp s VAL 242 N -2.54 0.02 0.45 2.28 -7.23 -0.59 -4.73 120.40 108.05 2qjp s VAL 242 Ca 0.10 -0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.84 2qjp s VAL 242 Cb -0.01 -0.65 -0.08 0.00 0.56 0.00 0.00 36.38 36.20 2qjp s VAL 242 CO 0.06 -0.10 1.36 -2.16 -0.31 0.00 0.00 175.10 173.95 2qjp s PRO 243 N -0.53 3.73 0.26 4.82 0.04 -1.26 -1.15 135.00 140.91 2qjp s PRO 243 Ca -0.06 2.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.22 2qjp s PRO 243 Cb -0.03 -2.63 0.50 0.00 0.04 0.00 0.00 34.50 32.38 2qjp s PRO 243 CO 0.03 -0.73 1.77 0.35 0.04 0.00 0.00 177.00 178.46 2qjp h PHE 244 N 2.34 0.76 -3.07 0.56 3.57 -1.46 -3.35 116.94 116.28 2qjp h PHE 244 Ca -0.50 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.40 2qjp h PHE 244 Cb 1.26 -0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.68 2qjp h PHE 244 CO 0.51 0.20 -0.51 -0.46 -2.23 0.00 0.00 178.31 175.82 2qjp s TRP 245 N -5.98 3.42 -1.25 0.41 -0.11 -0.98 -0.57 118.94 113.89 2qjp s TRP 245 Ca -0.12 0.34 0.24 0.00 1.22 0.00 0.00 56.10 57.77 2qjp s TRP 245 Cb 0.21 -2.05 0.27 0.00 -1.50 0.00 0.00 33.47 30.41 2qjp s TRP 245 CO 0.78 0.42 1.25 -0.35 -4.62 0.00 0.00 176.95 174.43 2qjp n PRO 246 N 2.92 0.29 -0.09 5.86 -0.04 -1.26 -4.94 135.00 137.73 2qjp n PRO 246 Ca -0.18 -0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 62.96 2qjp n PRO 246 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2qjp n PRO 246 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qjp h TYR 247 N 0.49 -1.40 0.00 0.54 0.05 -1.68 -0.64 116.97 114.34 2qjp h TYR 247 Ca 0.00 0.06 -0.18 0.00 0.05 0.00 0.00 58.73 58.66 2qjp h TYR 247 Cb 0.53 0.65 -0.03 0.00 1.01 0.00 0.00 36.73 38.89 2qjp h TYR 247 CO 0.00 -0.42 -0.96 0.74 -1.05 0.00 0.00 178.16 176.48 2qjp h PHE 248 N -0.37 0.00 -0.83 4.88 0.04 -1.04 -2.88 116.94 116.75 2qjp h PHE 248 Ca 0.05 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.84 2qjp h PHE 248 Cb 0.51 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2qjp h PHE 248 CO -0.67 0.81 0.54 0.82 -0.60 0.00 0.00 178.31 179.21 2qjp h ILE 249 N 0.00 1.19 -0.08 -0.55 1.08 -1.37 -0.60 117.51 117.19 2qjp h ILE 249 Ca -0.05 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2qjp h ILE 249 Cb 1.66 -0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 2qjp h ILE 249 CO 0.10 0.20 -0.08 0.40 -0.69 0.00 0.00 178.15 178.08 2qjp h ILE 250 N 1.10 1.37 0.00 -0.67 5.03 -1.14 -2.14 117.51 121.06 2qjp h ILE 250 Ca 0.31 -1.24 0.00 0.00 -0.12 0.00 0.00 64.86 63.81 2qjp h ILE 250 Cb -0.10 2.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.70 2qjp h ILE 250 CO -0.08 0.35 0.00 0.07 -0.68 0.00 0.00 178.15 177.81 2qjp h LYS 251 N -0.23 0.00 0.09 2.37 2.10 -1.38 0.41 116.57 119.94 2qjp h LYS 251 Ca 0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2qjp h LYS 251 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2qjp h LYS 251 CO 0.02 0.00 -0.04 -0.44 -2.00 0.00 0.00 179.45 176.99 2qjp h ASP 252 N 0.00 -0.10 -0.96 7.07 3.32 -0.96 0.22 116.42 125.00 2qjp h ASP 252 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.69 2qjp h ASP 252 Cb 0.40 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 2qjp h ASP 252 CO 0.00 0.33 0.63 0.58 -1.72 0.00 0.00 179.24 179.06 2qjp h VAL 253 N -0.56 1.25 0.12 -1.35 2.07 -0.80 0.37 116.25 117.35 2qjp h VAL 253 Ca -0.01 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2qjp h VAL 253 Cb 0.46 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2qjp h VAL 253 CO 0.02 0.25 -0.06 0.15 0.02 0.00 0.00 177.57 177.95 2qjp h PHE 254 N 1.31 -0.15 -0.55 1.57 3.57 -0.87 -0.68 116.94 121.14 2qjp h PHE 254 Ca 0.35 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.90 2qjp h PHE 254 Cb -0.13 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 2qjp h PHE 254 CO -0.00 -0.05 0.28 0.00 -2.23 0.00 0.00 178.31 176.31 2qjp h ALA 255 N 0.67 0.72 -0.91 2.41 0.00 0.11 -2.13 119.26 120.13 2qjp h ALA 255 Ca -0.02 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2qjp h ALA 255 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2qjp h ALA 255 CO 0.03 -0.07 0.60 -0.07 0.00 0.00 0.00 179.25 179.74 2qjp h LEU 256 N 0.54 0.99 -0.56 0.00 3.38 0.00 -0.74 115.31 118.91 2qjp h LEU 256 Ca 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2qjp h LEU 256 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2qjp h LEU 256 CO -0.18 0.68 0.23 0.00 0.09 0.00 0.00 178.44 179.27 2qjp h ALA 257 N 1.47 0.73 -0.35 1.53 0.00 -0.48 0.23 119.26 122.38 2qjp h ALA 257 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2qjp h ALA 257 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qjp h ALA 257 CO -0.10 0.33 -0.02 0.28 0.00 0.00 0.00 179.25 179.74 2qjp h VAL 258 N 0.77 1.26 0.07 0.00 2.07 -0.98 0.01 116.25 119.45 2qjp h VAL 258 Ca 0.19 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2qjp h VAL 258 Cb 0.18 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2qjp h VAL 258 CO -0.02 0.34 -0.03 0.58 0.02 0.00 0.00 177.57 178.46 2qjp h VAL 259 N 0.44 1.00 0.00 2.57 2.07 -0.96 -2.49 116.25 118.88 2qjp h VAL 259 Ca 0.10 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2qjp h VAL 259 Cb 0.49 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2qjp h VAL 259 CO 0.02 0.06 -0.02 -0.07 0.02 0.00 0.00 177.57 177.58 2qjp h LEU 260 N -0.20 0.00 0.13 2.57 3.38 -0.47 0.64 115.31 121.35 2qjp h LEU 260 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qjp h LEU 260 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qjp h LEU 260 CO 0.02 0.02 -0.06 0.25 0.09 0.00 0.00 178.44 178.76 2qjp h LEU 261 N 0.00 -0.15 -0.30 1.67 5.85 -0.56 0.30 115.31 122.12 2qjp h LEU 261 Ca -0.00 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2qjp h LEU 261 Cb 0.04 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2qjp h LEU 261 CO 0.00 -0.02 0.05 0.58 -0.34 0.00 0.00 178.44 178.71 2qjp h VAL 262 N -0.26 1.23 -0.32 1.05 2.07 -1.04 -1.76 116.25 117.22 2qjp h VAL 262 Ca -0.02 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2qjp h VAL 262 Cb 0.21 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 2qjp h VAL 262 CO 0.03 0.27 -0.00 0.15 0.02 0.00 0.00 177.57 178.03 2qjp h PHE 263 N 0.32 -0.03 -0.04 1.57 3.57 -0.70 -0.05 116.94 121.58 2qjp h PHE 263 Ca 0.09 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2qjp h PHE 263 Cb 0.35 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2qjp h PHE 263 CO 0.02 -0.06 -0.35 0.74 -2.23 0.00 0.00 178.31 176.43 2qjp h PHE 264 N 0.09 0.10 -0.73 0.41 0.04 -0.35 -0.23 116.94 116.27 2qjp h PHE 264 Ca 0.15 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 2qjp h PHE 264 Cb 0.21 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 2qjp h PHE 264 CO -0.24 0.43 0.20 0.00 -0.60 0.00 0.00 178.31 178.11 2qjp h ALA 265 N 1.57 0.98 0.29 2.45 0.00 -0.38 0.35 119.26 124.53 2qjp h ALA 265 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2qjp h ALA 265 Cb 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qjp h ALA 265 CO 0.05 0.67 -0.14 0.82 0.00 0.00 0.00 179.25 180.65 2qjp h ILE 266 N 1.09 0.75 -0.64 0.00 1.08 -0.10 -0.55 117.51 119.14 2qjp h ILE 266 Ca 0.23 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 2qjp h ILE 266 Cb 0.34 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 2qjp h ILE 266 CO -0.00 0.08 0.23 0.58 -0.69 0.00 0.00 178.15 178.35 2qjp h VAL 267 N -0.59 1.23 -0.09 1.67 2.07 -0.89 0.11 116.25 119.76 2qjp h VAL 267 Ca -0.04 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 2qjp h VAL 267 Cb 0.43 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2qjp h VAL 267 CO 0.07 0.29 -0.30 1.23 0.02 0.00 0.00 177.57 178.88 2qjp h GLY 268 N 1.02 0.40 0.00 2.17 0.00 -0.25 -3.36 103.07 103.06 2qjp h GLY 268 Ca 0.21 -0.52 -0.31 0.00 0.00 0.00 0.00 47.33 46.71 2qjp h GLY 268 CO -0.02 0.47 -2.16 0.69 0.00 0.00 0.00 176.54 175.52 2qjp n PHE 269 N -4.43 0.00 -2.99 5.60 3.72 -0.22 -4.77 117.46 114.37 2qjp n PHE 269 Ca -0.08 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.15 2qjp n PHE 269 Cb 0.48 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 38.18 2qjp n PHE 269 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qjp n MET 270 N -2.65 1.36 0.19 -1.08 0.00 0.28 -4.95 117.12 110.27 2qjp n MET 270 Ca -0.28 -3.55 0.16 0.00 0.00 0.00 0.00 57.70 54.03 2qjp n MET 270 Cb 1.04 -1.66 0.79 0.00 0.00 0.00 0.00 33.22 33.39 2qjp n MET 270 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2qjp h PRO 271 N 2.98 0.00 -0.54 3.17 0.13 -1.45 -2.81 132.00 133.48 2qjp h PRO 271 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2qjp h PRO 271 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2qjp h PRO 271 CO 0.55 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.41 2qjp n ASN 272 N -3.99 3.44 0.22 1.44 3.02 -1.26 -4.65 115.26 113.48 2qjp n ASN 272 Ca 0.02 -2.00 -0.15 0.00 -0.03 0.00 0.00 54.58 52.42 2qjp n ASN 272 Cb 0.31 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 2qjp n ASN 272 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2qjp h TYR 273 N 3.17 -0.51 0.00 3.10 3.20 -1.88 -3.03 116.97 121.01 2qjp h TYR 273 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2qjp h TYR 273 Cb 0.86 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2qjp h TYR 273 CO 0.36 -0.21 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 2qjp n LEU 274 N -5.24 0.73 0.00 2.82 4.77 -1.26 -4.83 117.00 113.99 2qjp n LEU 274 Ca -0.11 -0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 55.30 2qjp n LEU 274 Cb 0.28 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2qjp n LEU 274 CO 0.33 0.18 -0.13 0.61 -1.33 0.00 0.00 177.39 177.05 2qjp n GLY 275 N 0.12 3.62 3.12 -0.72 0.00 -1.15 -4.80 105.19 105.37 2qjp n GLY 275 Ca 0.00 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 2qjp n GLY 275 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qjp s HIS 276 N -2.17 3.04 0.52 1.61 2.46 -1.26 -5.01 115.29 114.48 2qjp s HIS 276 Ca 0.03 -1.90 0.34 0.00 0.47 0.00 0.00 55.06 54.00 2qjp s HIS 276 Cb -0.00 -1.95 1.49 0.00 -0.13 0.00 0.00 32.58 31.98 2qjp s HIS 276 CO 0.02 -0.82 1.77 -1.35 -2.47 0.00 0.00 174.74 171.89 2qjp h PRO 277 N 7.89 0.07 0.00 2.88 0.11 -1.97 -0.97 132.00 140.00 2qjp h PRO 277 Ca -0.32 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2qjp h PRO 277 Cb 1.09 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qjp h PRO 277 CO 0.55 0.04 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.91 2qjp h ASP 278 N 0.07 0.00 0.00 -2.05 3.32 -1.96 -2.13 116.42 113.68 2qjp h ASP 278 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 2qjp h ASP 278 Cb 2.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.82 2qjp h ASP 278 CO -0.08 0.03 0.00 -3.20 -1.72 0.00 0.00 179.24 174.28 2qjp n ASN 279 N -3.22 0.00 -1.31 6.45 5.15 -0.37 -1.53 115.26 120.43 2qjp n ASN 279 Ca -0.01 -1.72 0.10 0.00 -0.60 0.00 0.00 54.58 52.35 2qjp n ASN 279 Cb 0.21 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 39.77 2qjp n ASN 279 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2qjp n TYR 280 N -0.59 1.08 -5.04 1.20 4.01 -0.80 -4.51 117.16 112.51 2qjp n TYR 280 Ca 0.04 -0.55 -0.32 0.00 -0.16 0.00 0.00 57.90 56.90 2qjp n TYR 280 Cb 0.02 -0.10 -0.16 0.00 -0.31 0.00 0.00 39.34 38.78 2qjp n TYR 280 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qjp s ILE 281 N -1.37 2.30 0.39 -0.72 1.01 -0.58 -5.04 121.20 117.18 2qjp s ILE 281 Ca 0.46 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 2qjp s ILE 281 Cb 0.26 -1.91 -0.11 0.00 0.01 0.00 0.00 42.46 40.72 2qjp s ILE 281 CO 0.27 0.55 1.42 -0.62 0.00 0.00 0.00 174.94 176.55 2qjp n GLU 282 N 3.60 2.41 -1.63 2.79 1.02 -1.26 -0.09 120.64 127.48 2qjp n GLU 282 Ca -0.19 0.85 -0.48 0.00 -0.02 0.00 0.00 57.16 57.32 2qjp n GLU 282 Cb 0.53 -2.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 2qjp n GLU 282 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qjp n ALA 283 N 0.23 0.24 -4.00 0.62 0.00 -0.63 -4.29 120.51 112.69 2qjp n ALA 283 Ca 0.03 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.62 2qjp n ALA 283 Cb 0.39 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 2qjp n ALA 283 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qjp s ASN 284 N 0.41 4.21 0.00 0.00 3.84 -1.26 -4.92 114.94 117.23 2qjp s ASN 284 Ca 0.76 -1.40 0.16 0.00 0.21 0.00 0.00 52.86 52.58 2qjp s ASN 284 Cb -0.77 -1.37 0.95 0.00 -0.55 0.00 0.00 41.25 39.50 2qjp s ASN 284 CO 0.47 -0.24 1.37 -0.81 -2.79 0.00 0.00 177.10 175.10 2qjp n PRO 285 N 4.53 0.58 -0.11 0.43 -0.04 -1.26 -2.87 135.00 136.25 2qjp n PRO 285 Ca -0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 2qjp n PRO 285 Cb 0.43 -1.43 0.12 0.00 -0.04 0.00 0.00 33.50 32.57 2qjp n PRO 285 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qjp n LEU 286 N -0.93 2.57 -3.64 1.53 4.77 -1.26 -4.99 117.00 115.06 2qjp n LEU 286 Ca 0.12 -1.65 -0.12 0.00 -0.03 0.00 0.00 56.01 54.33 2qjp n LEU 286 Cb 0.05 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2qjp n LEU 286 CO 0.09 0.60 0.38 -0.55 -1.33 0.00 0.00 177.39 176.58 2qjp s SER 287 N -0.97 -0.78 -0.22 -1.43 0.15 -1.14 -5.14 113.70 104.17 2qjp s SER 287 Ca 0.20 1.42 -0.05 0.00 0.70 0.00 0.00 55.95 58.22 2qjp s SER 287 Cb 0.11 1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 65.81 2qjp s SER 287 CO 0.15 -0.24 -0.00 -0.89 1.20 0.00 0.00 173.24 173.46 2qjp s THR 288 N 0.70 3.81 0.02 6.45 2.01 -1.26 -4.65 115.64 122.71 2qjp s THR 288 Ca -0.03 -0.35 -0.37 0.00 0.31 0.00 0.00 61.69 61.25 2qjp s THR 288 Cb -0.05 -2.74 -0.17 0.00 0.01 0.00 0.00 72.50 69.55 2qjp s THR 288 CO -0.04 0.41 1.39 -2.65 -0.69 0.00 0.00 174.62 173.03 2qjp n PRO 289 N 4.58 1.08 -0.08 4.92 -0.02 -1.26 -4.82 135.00 139.40 2qjp n PRO 289 Ca -0.17 0.39 0.24 0.00 -2.02 0.00 0.00 63.50 61.94 2qjp n PRO 289 Cb 0.51 -2.03 0.71 0.00 -0.02 0.00 0.00 33.50 32.67 2qjp n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjp h ALA 290 N 4.87 2.65 -0.53 3.55 0.00 -2.06 -1.49 119.26 126.24 2qjp h ALA 290 Ca -0.48 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2qjp h ALA 290 Cb 1.34 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 2qjp h ALA 290 CO 0.80 -0.86 0.15 0.72 0.00 0.00 0.00 179.25 180.06 2qjp n HIS 291 N -4.31 1.74 -1.51 0.00 8.25 -1.26 -5.02 115.22 113.11 2qjp n HIS 291 Ca 0.14 -1.33 -0.40 0.00 -0.26 0.00 0.00 57.72 55.87 2qjp n HIS 291 Cb 0.77 -0.57 0.02 0.00 1.12 0.00 0.00 29.99 31.33 2qjp n HIS 291 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2qjp n ILE 292 N -0.67 2.24 -3.61 1.59 3.06 -0.57 -4.99 119.36 116.41 2qjp n ILE 292 Ca 0.36 -0.50 -0.03 0.00 -2.50 0.00 0.00 62.75 60.08 2qjp n ILE 292 Cb 1.20 -0.79 -0.06 0.00 0.54 0.00 0.00 39.64 40.53 2qjp n ILE 292 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 2qjp s VAL 293 N -1.48 -0.25 1.09 9.51 1.01 -1.26 -5.11 120.40 123.91 2qjp s VAL 293 Ca 0.66 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 2qjp s VAL 293 Cb -0.54 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 34.95 2qjp s VAL 293 CO 0.56 0.00 0.19 -2.65 0.00 0.00 0.00 175.10 173.20 2qjp n PRO 294 N 4.43 -1.38 -2.30 2.72 -0.02 -1.26 -4.89 135.00 132.30 2qjp n PRO 294 Ca -0.17 -0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 60.53 2qjp n PRO 294 Cb 0.56 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 2qjp n PRO 294 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qjp s GLU 295 N -3.58 4.48 0.31 -0.52 8.01 -1.26 -4.78 118.70 121.36 2qjp s GLU 295 Ca 0.57 1.99 0.06 0.00 0.01 0.00 0.00 54.97 57.61 2qjp s GLU 295 Cb -0.15 -3.16 0.85 0.00 -4.31 0.00 0.00 34.13 27.37 2qjp s GLU 295 CO 0.66 -0.04 1.62 0.11 0.01 0.00 0.00 175.26 177.62 2qjp h TRP 296 N 4.16 0.39 0.00 1.61 5.08 -1.90 0.99 115.95 126.27 2qjp h TRP 296 Ca -0.47 0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.55 2qjp h TRP 296 Cb 1.22 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 2qjp h TRP 296 CO 0.59 -0.30 0.00 2.48 -1.28 0.00 0.00 178.44 179.93 2qjp n TYR 297 N -5.28 0.00 0.29 0.12 0.18 -1.26 -1.58 117.16 109.64 2qjp n TYR 297 Ca 0.25 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.12 2qjp n TYR 297 Cb 0.82 -0.44 -0.12 0.00 -0.38 0.00 0.00 39.34 39.22 2qjp n TYR 297 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 2qjp n PHE 298 N -1.44 0.00 -0.07 -3.48 3.72 0.34 -4.71 117.46 111.81 2qjp n PHE 298 Ca 0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.35 2qjp n PHE 298 Cb 0.10 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.37 2qjp n PHE 298 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qjp h LEU 299 N 0.00 -0.87 -0.74 4.37 3.38 -0.73 -2.22 115.31 118.50 2qjp h LEU 299 Ca 0.00 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.28 2qjp h LEU 299 Cb 0.64 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 2qjp h LEU 299 CO 0.00 -0.29 0.23 1.55 0.09 0.00 0.00 178.44 180.02 2qjp h PRO 300 N -0.25 0.33 0.00 1.13 0.13 -1.76 0.92 132.00 132.50 2qjp h PRO 300 Ca 0.15 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 2qjp h PRO 300 Cb 0.49 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2qjp h PRO 300 CO -0.44 0.22 -0.50 0.74 -0.23 0.00 0.00 178.00 177.78 2qjp h PHE 301 N 0.34 0.00 -0.08 1.56 0.04 -1.85 -2.73 116.94 114.22 2qjp h PHE 301 Ca 0.42 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.05 2qjp h PHE 301 Cb 0.68 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 2qjp h PHE 301 CO -0.22 0.50 -0.53 -0.92 -0.60 0.00 0.00 178.31 176.54 2qjp h TYR 302 N 0.00 0.29 -0.26 -0.55 3.20 -0.56 -2.48 116.97 116.61 2qjp h TYR 302 Ca -0.01 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2qjp h TYR 302 Cb 1.09 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2qjp h TYR 302 CO 0.00 0.72 0.03 0.00 -1.64 0.00 0.00 178.16 177.27 2qjp h ALA 303 N 1.26 0.35 -0.79 1.82 0.00 -0.59 -2.48 119.26 118.83 2qjp h ALA 303 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qjp h ALA 303 Cb 1.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2qjp h ALA 303 CO 0.08 0.04 0.47 0.82 0.00 0.00 0.00 179.25 180.67 2qjp h ILE 304 N 0.24 1.22 0.05 0.00 2.04 -1.35 -2.49 117.51 117.22 2qjp h ILE 304 Ca 0.08 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2qjp h ILE 304 Cb 0.35 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2qjp h ILE 304 CO 0.01 0.23 -0.02 0.25 0.00 0.00 0.00 178.15 178.61 2qjp h LEU 305 N 1.08 -0.05 -0.43 1.44 6.46 -1.24 -3.16 115.31 119.41 2qjp h LEU 305 Ca 0.28 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2qjp h LEU 305 Cb -0.05 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2qjp h LEU 305 CO -0.05 0.25 0.00 -2.11 -0.62 0.00 0.00 178.44 175.90 2qjp n ARG 306 N -4.98 1.28 0.14 1.25 1.85 -0.95 -3.25 116.66 112.00 2qjp n ARG 306 Ca -0.08 -0.42 0.02 0.00 -1.00 0.00 0.00 57.85 56.36 2qjp n ARG 306 Cb 0.18 -1.24 0.10 0.00 -1.05 0.00 0.00 32.46 30.44 2qjp n ARG 306 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qjp h ALA 307 N 3.55 0.72 -2.07 2.89 0.00 -1.40 -3.40 119.26 119.55 2qjp h ALA 307 Ca 0.00 -0.51 -0.73 0.00 0.00 0.00 0.00 54.91 53.68 2qjp h ALA 307 Cb 0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.68 2qjp h ALA 307 CO 0.00 0.69 0.80 -0.06 0.00 0.00 0.00 179.25 180.69 2qjp s PHE 308 N -3.13 3.40 0.67 0.00 0.08 -1.20 -4.82 117.98 112.99 2qjp s PHE 308 Ca 0.02 -1.76 0.04 0.00 0.12 0.00 0.00 56.93 55.35 2qjp s PHE 308 Cb 0.09 -4.18 0.12 0.00 -0.57 0.00 0.00 43.02 38.48 2qjp s PHE 308 CO 0.74 -1.34 0.92 0.95 -0.10 0.00 0.00 175.22 176.39 2qjp s THR 309 N 1.72 2.07 0.23 0.64 -4.23 -1.26 -4.65 115.64 110.16 2qjp s THR 309 Ca 0.32 -0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 2qjp s THR 309 Cb -0.06 -2.29 0.22 0.00 1.34 0.00 0.00 72.50 71.71 2qjp s THR 309 CO -0.07 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 175.87 2qjp h ALA 310 N -0.26 1.18 0.00 3.99 0.00 -1.95 -2.80 119.26 119.41 2qjp h ALA 310 Ca -0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qjp h ALA 310 Cb 1.27 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2qjp h ALA 310 CO 0.39 0.67 0.00 -0.40 0.00 0.00 0.00 179.25 179.91 2qjp n ASP 311 N -4.34 0.00 -4.66 0.00 5.75 -1.26 -4.30 116.55 107.74 2qjp n ASP 311 Ca 0.10 -0.78 -0.41 0.00 -0.01 0.00 0.00 54.79 53.68 2qjp n ASP 311 Cb 0.09 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 2qjp n ASP 311 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qjp s VAL 312 N -2.00 4.91 0.24 2.12 1.01 -1.06 -4.96 120.40 120.65 2qjp s VAL 312 Ca 0.17 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 2qjp s VAL 312 Cb 0.08 -4.09 0.20 0.00 0.00 0.00 0.00 36.38 32.58 2qjp s VAL 312 CO 0.13 0.03 1.83 4.11 0.00 0.00 0.00 175.10 181.21 2qjp h TRP 313 N 7.43 0.90 0.00 5.22 5.08 -1.91 0.18 115.95 132.86 2qjp h TRP 313 Ca -0.29 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.71 2qjp h TRP 313 Cb 1.13 -0.29 -0.00 0.00 -3.00 0.00 0.00 29.16 27.00 2qjp h TRP 313 CO 0.72 0.43 -0.03 0.28 -1.28 0.00 0.00 178.44 178.57 2qjp h VAL 314 N 0.88 0.78 -0.03 0.12 2.07 -1.96 1.02 116.25 119.13 2qjp h VAL 314 Ca 0.37 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 2qjp h VAL 314 Cb 0.23 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2qjp h VAL 314 CO -0.19 0.03 -0.36 0.58 0.02 0.00 0.00 177.57 177.65 2qjp h VAL 315 N 0.00 1.47 -0.60 2.57 2.07 -1.25 -0.97 116.25 119.54 2qjp h VAL 315 Ca -0.00 -1.89 0.06 0.00 0.82 0.00 0.00 66.70 65.69 2qjp h VAL 315 Cb 0.06 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2qjp h VAL 315 CO 0.00 0.53 0.32 1.56 0.02 0.00 0.00 177.57 180.00 2qjp h GLN 316 N -0.27 0.58 0.66 1.57 4.20 0.13 0.77 115.11 122.74 2qjp h GLN 316 Ca -0.04 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2qjp h GLN 316 Cb 1.06 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.72 2qjp h GLN 316 CO 0.07 0.38 -0.32 0.82 -0.67 0.00 0.00 178.83 179.12 2qjp h ILE 317 N 0.59 0.00 -0.85 2.54 2.04 0.97 -2.21 117.51 120.59 2qjp h ILE 317 Ca 0.27 -0.02 0.21 0.00 1.00 0.00 0.00 64.86 66.32 2qjp h ILE 317 Cb 0.18 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.13 2qjp h ILE 317 CO -0.18 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.24 2qjp h ALA 318 N -1.57 1.24 0.09 1.87 0.00 -0.90 0.17 119.26 120.16 2qjp h ALA 318 Ca -0.09 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qjp h ALA 318 Cb 0.68 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2qjp h ALA 318 CO 0.15 -0.40 -0.21 -0.97 0.00 0.00 0.00 179.25 177.82 2qjp h ASN 319 N 0.28 -0.58 0.29 0.00 -1.24 0.68 -2.57 115.58 112.43 2qjp h ASN 319 Ca 0.52 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.59 2qjp h ASN 319 Cb 1.00 0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2qjp h ASN 319 CO -0.59 -0.29 -0.14 0.15 -1.29 0.00 0.00 177.43 175.28 2qjp h PHE 320 N -0.38 -0.36 0.00 0.67 3.04 -0.59 0.30 116.94 119.62 2qjp h PHE 320 Ca 0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2qjp h PHE 320 Cb 0.41 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.04 2qjp h PHE 320 CO -0.21 -0.06 0.00 1.51 -2.02 0.00 0.00 178.31 177.53 2qjp n ILE 321 N -5.15 0.11 -1.36 1.41 3.06 0.48 -1.15 119.36 116.76 2qjp n ILE 321 Ca -0.10 0.03 0.01 0.00 -2.50 0.00 0.00 62.75 60.20 2qjp n ILE 321 Cb 0.25 -1.03 0.02 0.00 0.54 0.00 0.00 39.64 39.42 2qjp n ILE 321 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2qjp n SER 322 N -1.02 0.52 -3.71 9.51 3.41 -0.97 -5.03 113.62 116.33 2qjp n SER 322 Ca 0.00 -1.84 -0.25 0.00 -0.26 0.00 0.00 58.87 56.52 2qjp n SER 322 Cb 0.00 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 63.86 2qjp n SER 322 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qjp n PHE 323 N -0.25 -2.50 -0.95 7.33 3.72 -0.30 -2.48 117.46 122.03 2qjp n PHE 323 Ca 0.02 0.95 0.00 0.00 -0.05 0.00 0.00 57.45 58.37 2qjp n PHE 323 Cb 0.59 -4.58 0.00 0.00 -0.94 0.00 0.00 39.48 34.54 2qjp n PHE 323 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qjp n GLY 324 N -1.76 0.39 0.16 1.37 0.00 0.10 -4.89 105.19 100.57 2qjp n GLY 324 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2qjp n GLY 324 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qjp h ILE 325 N 0.00 0.00 -0.80 -0.61 2.04 -1.68 -3.36 117.51 113.10 2qjp h ILE 325 Ca 0.00 -0.48 -0.61 0.00 1.00 0.00 0.00 64.86 64.77 2qjp h ILE 325 Cb 0.28 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 2qjp h ILE 325 CO 0.00 0.00 1.96 -0.63 0.00 0.00 0.00 178.15 179.48 2qjp s ILE 326 N -2.73 4.00 0.36 -0.67 1.01 -1.26 -4.86 121.20 117.06 2qjp s ILE 326 Ca -0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 60.65 58.90 2qjp s ILE 326 Cb 0.01 -5.07 0.08 0.00 0.01 0.00 0.00 42.46 37.48 2qjp s ILE 326 CO 0.15 -1.83 0.50 -0.90 0.00 0.00 0.00 174.94 172.86 2qjp n ASP 327 N 9.52 0.32 0.09 3.58 5.75 -1.26 -3.37 116.55 131.18 2qjp n ASP 327 Ca 0.47 -1.35 -0.12 0.00 -0.01 0.00 0.00 54.79 53.78 2qjp n ASP 327 Cb 0.46 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 2qjp n ASP 327 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qjp h ALA 328 N -1.19 -0.21 -0.51 2.12 0.00 -1.89 -0.14 119.26 117.44 2qjp h ALA 328 Ca -0.16 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2qjp h ALA 328 Cb 0.52 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2qjp h ALA 328 CO 0.14 -0.64 -0.44 -0.22 0.00 0.00 0.00 179.25 178.09 2qjp h LYS 329 N -0.25 -0.17 0.00 0.00 3.64 -1.94 0.10 116.57 117.95 2qjp h LYS 329 Ca 0.02 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2qjp h LYS 329 Cb 0.27 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2qjp h LYS 329 CO -0.07 -0.11 -0.28 0.35 -2.27 0.00 0.00 179.45 177.07 2qjp h PHE 330 N -0.18 0.00 -0.27 1.91 3.57 -1.81 -2.86 116.94 117.31 2qjp h PHE 330 Ca 0.08 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 2qjp h PHE 330 Cb 0.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2qjp h PHE 330 CO -0.83 0.28 -0.19 0.35 -2.23 0.00 0.00 178.31 175.69 2qjp h PHE 331 N 0.00 0.70 -0.57 0.41 3.04 0.21 -1.29 116.94 119.44 2qjp h PHE 331 Ca -0.00 -0.19 0.04 0.00 3.98 0.00 0.00 57.97 61.79 2qjp h PHE 331 Cb 0.63 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 2qjp h PHE 331 CO 0.00 0.88 0.32 0.78 -2.02 0.00 0.00 178.31 178.27 2qjp h GLY 332 N 0.32 0.81 0.89 2.40 0.00 -0.67 0.19 103.07 107.01 2qjp h GLY 332 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2qjp h GLY 332 CO 0.05 0.18 -0.02 -2.08 0.00 0.00 0.00 176.54 174.66 2qjp h VAL 333 N 0.63 0.93 -0.16 4.60 2.07 -1.37 -0.47 116.25 122.47 2qjp h VAL 333 Ca 0.24 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2qjp h VAL 333 Cb 0.09 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2qjp h VAL 333 CO -0.13 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.32 2qjp h LEU 334 N -0.03 0.22 -0.08 2.57 3.38 -0.81 -1.98 115.31 118.58 2qjp h LEU 334 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 334 Cb 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qjp h LEU 334 CO -0.05 0.33 -0.00 0.00 0.09 0.00 0.00 178.44 178.80 2qjp h ALA 335 N 1.70 0.11 0.41 1.53 0.00 -0.03 0.86 119.26 123.84 2qjp h ALA 335 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2qjp h ALA 335 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2qjp h ALA 335 CO 0.01 -0.20 -0.27 1.98 0.00 0.00 0.00 179.25 180.77 2qjp h MET 336 N -0.15 -0.64 0.00 0.00 1.85 -0.66 0.23 114.93 115.56 2qjp h MET 336 Ca 0.02 0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.09 2qjp h MET 336 Cb 0.36 0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 2qjp h MET 336 CO 0.00 -0.43 -0.32 0.74 -0.40 0.00 0.00 176.91 176.51 2qjp h PHE 337 N -0.66 0.00 -0.46 1.39 0.04 -1.46 -2.61 116.94 113.18 2qjp h PHE 337 Ca -0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 2qjp h PHE 337 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2qjp h PHE 337 CO -0.11 0.32 -0.19 0.78 -0.60 0.00 0.00 178.31 178.51 2qjp h GLY 338 N 1.32 1.00 0.84 -1.45 0.00 -0.32 0.13 103.07 104.59 2qjp h GLY 338 Ca -0.00 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.52 2qjp h GLY 338 CO 0.04 0.78 0.58 0.00 0.00 0.00 0.00 176.54 177.93 2qjp h ALA 339 N 0.97 1.20 -0.00 3.60 0.00 -0.17 0.39 119.26 125.25 2qjp h ALA 339 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qjp h ALA 339 Cb 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qjp h ALA 339 CO 0.06 0.41 -0.00 0.82 0.00 0.00 0.00 179.25 180.53 2qjp h ILE 340 N 1.10 1.47 -0.66 0.00 2.04 -1.37 -2.97 117.51 117.11 2qjp h ILE 340 Ca 0.37 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.91 2qjp h ILE 340 Cb 0.05 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 2qjp h ILE 340 CO -0.13 0.36 0.36 0.25 0.00 0.00 0.00 178.15 178.99 2qjp h LEU 341 N -0.58 0.53 -0.54 1.44 5.85 -0.41 -1.40 115.31 120.21 2qjp h LEU 341 Ca 0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2qjp h LEU 341 Cb 0.59 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2qjp h LEU 341 CO 0.00 0.34 0.25 0.58 -0.34 0.00 0.00 178.44 179.27 2qjp h VAL 342 N 0.67 0.90 -0.79 1.05 2.07 -0.28 -1.00 116.25 118.86 2qjp h VAL 342 Ca 0.30 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.70 2qjp h VAL 342 Cb 0.20 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2qjp h VAL 342 CO -0.19 0.09 0.52 -0.03 0.02 0.00 0.00 177.57 177.98 2qjp h MET 343 N 0.48 0.92 0.00 1.57 1.85 -1.12 -0.47 114.93 118.16 2qjp h MET 343 Ca 0.25 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.24 2qjp h MET 343 Cb 0.21 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2qjp h MET 343 CO -0.20 0.61 -0.19 0.00 -0.40 0.00 0.00 176.91 176.73 2qjp h ALA 344 N 1.55 1.16 -0.00 0.39 0.00 -0.42 -2.86 119.26 119.07 2qjp h ALA 344 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qjp h ALA 344 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qjp h ALA 344 CO -0.10 0.23 -0.34 1.28 0.00 0.00 0.00 179.25 180.32 2qjp n LEU 345 N -3.54 0.45 -0.46 0.00 4.77 -0.21 -4.39 117.00 113.63 2qjp n LEU 345 Ca -0.01 0.07 0.38 0.00 -0.03 0.00 0.00 56.01 56.43 2qjp n LEU 345 Cb 0.34 -0.28 0.70 0.00 -2.33 0.00 0.00 43.42 41.84 2qjp n LEU 345 CO 0.32 0.10 1.32 1.62 -1.33 0.00 0.00 177.39 179.42 2qjp h VAL 346 N 0.18 0.22 -0.18 4.08 3.04 -1.27 0.46 116.25 122.78 2qjp h VAL 346 Ca 0.00 -0.03 0.05 0.00 -1.01 0.00 0.00 66.70 65.71 2qjp h VAL 346 Cb 0.49 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 2qjp h VAL 346 CO 0.00 0.02 0.16 -0.65 -1.01 0.00 0.00 177.57 176.09 2qjp h PRO 347 N 0.09 0.00 0.00 4.17 0.11 -1.82 -0.63 132.00 133.91 2qjp h PRO 347 Ca 0.75 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.56 2qjp h PRO 347 Cb 2.63 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 33.68 2qjp h PRO 347 CO -0.20 0.00 -2.24 0.91 -0.21 0.00 0.00 178.00 176.26 2qjp n TRP 348 N -4.13 0.12 0.16 0.65 8.01 0.16 -4.28 117.44 118.12 2qjp n TRP 348 Ca 0.01 0.04 0.03 0.00 -1.31 0.00 0.00 57.50 56.28 2qjp n TRP 348 Cb 0.29 -0.95 0.15 0.00 -2.01 0.00 0.00 31.31 28.79 2qjp n TRP 348 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2qjp h LEU 349 N 0.00 0.00 -8.70 -0.99 3.38 -1.02 -3.42 115.31 104.57 2qjp h LEU 349 Ca -0.44 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.95 2qjp h LEU 349 Cb 2.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.70 2qjp h LEU 349 CO 0.03 0.47 0.71 -0.62 0.09 0.00 0.00 178.44 179.12 2qjp s ASP 350 N -6.45 6.56 0.00 -0.43 -1.08 -0.28 -2.69 116.67 112.30 2qjp s ASP 350 Ca 0.02 0.28 0.24 0.00 -0.52 0.00 0.00 52.55 52.57 2qjp s ASP 350 Cb 0.09 -2.49 0.24 0.00 -1.46 0.00 0.00 42.92 39.30 2qjp s ASP 350 CO 0.72 -1.11 1.24 0.35 0.52 0.00 0.00 175.17 176.89 2qjp n THR 351 N 6.55 0.00 -2.18 1.71 -2.24 -1.25 -4.94 114.28 111.94 2qjp n THR 351 Ca 0.08 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 2qjp n THR 351 Cb 0.49 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 2qjp n THR 351 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qjp s SER 352 N -2.63 6.70 0.00 3.42 0.15 -1.26 -4.79 113.70 115.29 2qjp s SER 352 Ca 0.18 2.57 0.25 0.00 0.70 0.00 0.00 55.95 59.65 2qjp s SER 352 Cb 0.18 -2.64 0.59 0.00 -1.71 0.00 0.00 66.02 62.44 2qjp s SER 352 CO 0.62 -0.57 1.47 -0.81 1.20 0.00 0.00 173.24 175.16 2qjp n PRO 353 N 0.60 0.04 -2.63 5.44 -0.04 -1.26 -4.83 135.00 132.31 2qjp n PRO 353 Ca 0.01 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 2qjp n PRO 353 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2qjp n PRO 353 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qjp s VAL 354 N -2.98 4.64 -0.00 0.52 1.01 -1.26 -5.00 120.40 117.34 2qjp s VAL 354 Ca 0.12 1.92 -0.00 0.00 0.00 0.00 0.00 61.98 64.02 2qjp s VAL 354 Cb 0.18 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 2qjp s VAL 354 CO 0.67 0.01 0.49 -0.09 0.00 0.00 0.00 175.10 176.18 2qjp h ARG 355 N 7.18 -0.01 -6.44 2.72 2.43 -1.88 -3.45 114.38 114.93 2qjp h ARG 355 Ca -0.32 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.31 2qjp h ARG 355 Cb 1.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2qjp h ARG 355 CO 0.86 -0.01 0.66 0.45 -1.51 0.00 0.00 179.97 180.41 2qjp s SER 356 N -2.57 7.00 0.00 -3.80 0.15 -1.24 -3.56 113.70 109.68 2qjp s SER 356 Ca -0.00 2.03 0.13 0.00 0.70 0.00 0.00 55.95 58.80 2qjp s SER 356 Cb 0.00 -2.57 0.68 0.00 -1.71 0.00 0.00 66.02 62.42 2qjp s SER 356 CO 0.01 -0.56 1.30 0.61 1.20 0.00 0.00 173.24 175.80 2qjp n GLY 357 N 3.35 -0.65 0.28 9.45 0.00 -0.02 -2.09 105.19 115.51 2qjp n GLY 357 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 2qjp n GLY 357 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qjp h ARG 358 N 0.00 0.59 -0.76 1.61 2.43 -1.87 -2.62 114.38 113.76 2qjp h ARG 358 Ca 0.00 -0.12 -0.29 0.00 -0.81 0.00 0.00 59.98 58.75 2qjp h ARG 358 Cb 0.10 -0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 29.38 2qjp h ARG 358 CO 0.00 0.59 0.34 0.66 -1.51 0.00 0.00 179.97 180.05 2qjp n TYR 359 N -4.28 2.45 -3.86 2.20 4.01 -0.89 -4.79 117.16 112.00 2qjp n TYR 359 Ca 0.02 -1.41 -0.30 0.00 -0.16 0.00 0.00 57.90 56.04 2qjp n TYR 359 Cb 0.24 -0.73 -0.15 0.00 -0.31 0.00 0.00 39.34 38.39 2qjp n TYR 359 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2qjp s ARG 360 N -3.10 1.18 0.11 -0.72 0.52 -0.99 -1.96 118.95 113.99 2qjp s ARG 360 Ca 0.54 -1.62 -0.26 0.00 -0.52 0.00 0.00 55.73 53.87 2qjp s ARG 360 Cb 0.45 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 2qjp s ARG 360 CO 0.11 -1.00 1.65 -1.35 0.02 0.00 0.00 175.30 174.74 2qjp h PRO 361 N 7.62 -0.40 -0.19 3.54 0.11 -1.86 -2.32 132.00 138.50 2qjp h PRO 361 Ca -0.08 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 2qjp h PRO 361 Cb 1.00 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qjp h PRO 361 CO 0.51 -0.27 -0.09 0.52 -0.21 0.00 0.00 178.00 178.46 2qjp h MET 362 N -0.42 0.39 -0.72 1.05 2.86 -1.96 -3.25 114.93 112.88 2qjp h MET 362 Ca 0.03 -0.17 0.12 0.00 -2.06 0.00 0.00 59.70 57.61 2qjp h MET 362 Cb 0.44 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 31.96 2qjp h MET 362 CO -0.12 0.69 -0.38 0.35 1.06 0.00 0.00 176.91 178.51 2qjp h PHE 363 N 0.08 -1.07 -0.77 -0.22 3.57 -1.91 -2.06 116.94 114.55 2qjp h PHE 363 Ca 0.04 0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.78 2qjp h PHE 363 Cb 0.57 0.57 -0.15 0.00 2.79 0.00 0.00 35.95 39.74 2qjp h PHE 363 CO 0.06 -0.40 -0.24 0.87 -2.23 0.00 0.00 178.31 176.38 2qjp h LYS 364 N -0.12 -0.03 -0.32 1.11 1.57 -1.45 0.10 116.57 117.44 2qjp h LYS 364 Ca 0.25 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 2qjp h LYS 364 Cb 0.56 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 2qjp h LYS 364 CO -0.78 -0.02 -0.01 0.82 -0.57 0.00 0.00 179.45 178.88 2qjp h ILE 365 N -0.03 0.75 -0.52 1.86 1.08 -1.49 -0.08 117.51 119.08 2qjp h ILE 365 Ca 0.35 -0.03 -0.09 0.00 -0.39 0.00 0.00 64.86 64.71 2qjp h ILE 365 Cb 0.58 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2qjp h ILE 365 CO -0.81 0.01 -0.03 1.88 -0.69 0.00 0.00 178.15 178.52 2qjp h TYR 366 N 0.07 0.96 0.33 1.37 0.05 -1.21 -1.39 116.97 117.15 2qjp h TYR 366 Ca 0.15 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2qjp h TYR 366 Cb 0.21 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.70 2qjp h TYR 366 CO -0.24 0.89 -0.16 0.35 -1.05 0.00 0.00 178.16 177.95 2qjp h PHE 367 N 0.82 -0.41 0.00 4.88 3.57 -0.10 0.12 116.94 125.83 2qjp h PHE 367 Ca 0.15 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2qjp h PHE 367 Cb 0.53 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2qjp h PHE 367 CO 0.03 -0.25 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.24 2qjp h TRP 368 N -0.44 0.00 -0.45 0.41 4.06 -0.94 0.13 115.95 118.72 2qjp h TRP 368 Ca -0.04 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.79 2qjp h TRP 368 Cb 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 2qjp h TRP 368 CO -0.05 0.14 -0.17 -0.07 -3.56 0.00 0.00 178.44 174.73 2qjp h LEU 369 N 0.00 0.88 0.08 -4.49 3.38 -0.73 0.11 115.31 114.55 2qjp h LEU 369 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qjp h LEU 369 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qjp h LEU 369 CO 0.02 1.04 -0.04 0.25 0.09 0.00 0.00 178.44 179.80 2qjp h LEU 370 N 0.77 -0.09 -0.36 1.67 5.85 0.18 0.36 115.31 123.69 2qjp h LEU 370 Ca 0.11 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2qjp h LEU 370 Cb 0.70 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 2qjp h LEU 370 CO 0.05 -0.04 0.14 0.00 -0.34 0.00 0.00 178.44 178.26 2qjp h ALA 371 N 0.78 0.43 -0.85 1.25 0.00 -0.86 0.16 119.26 120.16 2qjp h ALA 371 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qjp h ALA 371 Cb 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qjp h ALA 371 CO 0.02 -0.24 0.47 0.00 0.00 0.00 0.00 179.25 179.49 2qjp h ALA 372 N 1.22 1.22 -0.71 0.00 0.00 -0.72 -1.68 119.26 118.59 2qjp h ALA 372 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qjp h ALA 372 Cb 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2qjp h ALA 372 CO -0.15 0.63 0.39 0.22 0.00 0.00 0.00 179.25 180.35 2qjp h ASP 373 N 1.19 0.88 -0.43 0.00 3.58 0.84 0.28 116.42 122.77 2qjp h ASP 373 Ca 0.30 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2qjp h ASP 373 Cb 0.02 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2qjp h ASP 373 CO -0.05 0.72 0.28 0.15 -2.88 0.00 0.00 179.24 177.45 2qjp h PHE 374 N 0.97 0.55 0.07 0.28 3.57 -0.03 0.36 116.94 122.70 2qjp h PHE 374 Ca 0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2qjp h PHE 374 Cb 0.03 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2qjp h PHE 374 CO -0.00 0.36 -0.03 0.28 -2.23 0.00 0.00 178.31 176.68 2qjp h VAL 375 N 0.57 1.01 -0.64 1.41 2.07 -0.84 -1.43 116.25 118.41 2qjp h VAL 375 Ca 0.16 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2qjp h VAL 375 Cb -0.05 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 2qjp h VAL 375 CO -0.03 0.07 0.29 0.40 0.02 0.00 0.00 177.57 178.32 2qjp h ILE 376 N -0.22 0.85 -0.84 4.57 2.04 -0.06 0.50 117.51 124.35 2qjp h ILE 376 Ca -0.01 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2qjp h ILE 376 Cb 0.18 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2qjp h ILE 376 CO 0.02 0.10 0.52 -0.07 0.00 0.00 0.00 178.15 178.71 2qjp h LEU 377 N 0.52 1.00 -0.60 1.44 3.38 -0.08 0.14 115.31 121.12 2qjp h LEU 377 Ca 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2qjp h LEU 377 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2qjp h LEU 377 CO -0.26 0.77 0.26 0.74 0.09 0.00 0.00 178.44 180.04 2qjp h THR 378 N 1.15 1.22 -0.54 0.22 2.02 -0.30 -1.65 112.91 115.04 2qjp h THR 378 Ca 0.30 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2qjp h THR 378 Cb -0.06 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2qjp h THR 378 CO -0.06 0.26 0.09 -0.25 0.37 0.00 0.00 175.52 175.94 2qjp h TRP 379 N 0.82 0.94 -0.09 3.16 7.01 -0.04 -2.92 115.95 124.83 2qjp h TRP 379 Ca 0.20 -0.13 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 2qjp h TRP 379 Cb 0.17 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2qjp h TRP 379 CO 0.01 0.83 -0.37 0.28 -2.79 0.00 0.00 178.44 176.40 2qjp h VAL 380 N 0.77 1.29 -0.89 2.65 2.07 -0.57 -2.84 116.25 118.73 2qjp h VAL 380 Ca 0.16 -1.39 0.25 0.00 0.82 0.00 0.00 66.70 66.54 2qjp h VAL 380 Cb 0.40 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2qjp h VAL 380 CO 0.01 0.41 0.63 1.23 0.02 0.00 0.00 177.57 179.87 2qjp h GLY 381 N 1.16 0.17 0.54 2.17 0.00 -1.10 0.35 103.07 106.37 2qjp h GLY 381 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2qjp h GLY 381 CO 0.06 -0.01 -0.50 0.00 0.00 0.00 0.00 176.54 176.09 2qjp n ALA 382 N -2.67 3.58 -2.07 3.60 0.00 -1.07 -4.90 120.51 116.98 2qjp n ALA 382 Ca 0.19 -0.42 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 2qjp n ALA 382 Cb 0.91 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 19.34 2qjp n ALA 382 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qjp s GLN 383 N -2.83 2.80 1.08 0.00 -1.52 0.12 -5.08 119.66 114.23 2qjp s GLN 383 Ca 0.15 -0.11 -0.16 0.00 -1.95 0.00 0.00 55.36 53.29 2qjp s GLN 383 Cb 0.18 -2.28 0.23 0.00 -0.22 0.00 0.00 33.01 30.91 2qjp s GLN 383 CO 0.67 -0.76 1.15 -0.65 -0.25 0.00 0.00 175.29 175.45 2qjp s GLN 384 N -4.99 -0.22 0.00 2.91 -0.21 -1.26 -4.96 119.66 110.92 2qjp s GLN 384 Ca 0.55 0.04 0.27 0.00 0.02 0.00 0.00 55.36 56.24 2qjp s GLN 384 Cb -0.11 -1.70 0.89 0.00 1.00 0.00 0.00 33.01 33.09 2qjp s GLN 384 CO 0.44 -3.07 1.65 0.25 -2.12 0.00 0.00 175.29 172.44 2qjp n THR 385 N -4.33 0.00 -1.17 -0.19 -2.24 -1.26 -4.66 114.28 100.44 2qjp n THR 385 Ca 0.11 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2qjp n THR 385 Cb 0.59 0.41 0.20 0.00 -2.10 0.00 0.00 70.33 69.43 2qjp n THR 385 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qjp s THR 386 N -2.31 1.88 0.35 4.28 -4.23 -1.26 -4.08 115.64 110.28 2qjp s THR 386 Ca 0.30 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.53 2qjp s THR 386 Cb 0.20 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 2qjp s THR 386 CO 0.45 0.00 1.22 0.12 -0.54 0.00 0.00 174.62 175.87 2qjp s PHE 387 N -3.01 3.14 -1.35 3.99 5.36 -1.26 -1.59 117.98 123.26 2qjp s PHE 387 Ca 0.67 1.52 0.16 0.00 -0.96 0.00 0.00 56.93 58.32 2qjp s PHE 387 Cb -0.16 -3.50 0.60 0.00 -0.34 0.00 0.00 43.02 39.63 2qjp s PHE 387 CO 0.57 -1.44 1.49 -0.35 -1.46 0.00 0.00 175.22 174.04 2qjp n PRO 388 N 0.56 3.18 0.02 10.12 -0.04 -1.26 -4.93 135.00 142.65 2qjp n PRO 388 Ca 0.02 -2.40 -0.02 0.00 -0.04 0.00 0.00 63.50 61.06 2qjp n PRO 388 Cb 0.44 -1.75 0.24 0.00 -0.04 0.00 0.00 33.50 32.40 2qjp n PRO 388 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qjp h TYR 389 N 3.52 0.51 -0.72 0.54 0.05 -1.57 -0.87 116.97 118.43 2qjp h TYR 389 Ca 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2qjp h TYR 389 Cb 1.20 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.77 2qjp h TYR 389 CO 0.62 0.62 0.39 0.38 -1.05 0.00 0.00 178.16 179.12 2qjp h ASP 390 N 0.42 0.88 -0.07 3.88 3.04 -1.68 0.26 116.42 123.16 2qjp h ASP 390 Ca 0.07 -0.07 -0.18 0.00 -3.24 0.00 0.00 57.03 53.62 2qjp h ASP 390 Cb 0.55 -0.22 0.01 0.00 -1.04 0.00 0.00 39.33 38.63 2qjp h ASP 390 CO 0.04 0.71 -0.65 -0.50 -2.04 0.00 0.00 179.24 176.80 2qjp h TRP 391 N 1.00 0.79 -0.22 4.15 4.06 -1.79 -2.40 115.95 121.55 2qjp h TRP 391 Ca 0.25 -0.38 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 2qjp h TRP 391 Cb 0.02 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 2qjp h TRP 391 CO 0.01 1.19 0.12 0.82 -3.56 0.00 0.00 178.44 177.02 2qjp h ILE 392 N 0.18 1.10 -0.98 1.49 2.04 -0.78 0.17 117.51 120.73 2qjp h ILE 392 Ca -0.06 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2qjp h ILE 392 Cb 1.31 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2qjp h ILE 392 CO 0.13 0.10 0.65 0.77 0.00 0.00 0.00 178.15 179.80 2qjp h SER 393 N 0.25 1.12 -0.01 1.72 4.64 -0.54 -0.86 113.55 119.86 2qjp h SER 393 Ca 0.08 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2qjp h SER 393 Cb 0.05 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2qjp h SER 393 CO -0.01 0.80 0.00 -0.07 -0.87 0.00 0.00 176.83 176.68 2qjp h LEU 394 N 1.31 0.02 -0.61 5.97 3.38 -0.88 0.11 115.31 124.61 2qjp h LEU 394 Ca 0.36 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qjp h LEU 394 Cb -0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2qjp h LEU 394 CO -0.08 0.31 0.40 0.40 0.09 0.00 0.00 178.44 179.56 2qjp h ILE 395 N -0.27 1.13 -0.17 1.22 2.04 -0.55 -0.74 117.51 120.18 2qjp h ILE 395 Ca 0.00 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2qjp h ILE 395 Cb 0.30 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2qjp h ILE 395 CO 0.00 0.15 0.04 0.00 0.00 0.00 0.00 178.15 178.33 2qjp h ALA 396 N 1.24 0.17 -0.46 1.87 0.00 -1.03 0.16 119.26 121.21 2qjp h ALA 396 Ca 0.23 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2qjp h ALA 396 Cb -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2qjp h ALA 396 CO -0.06 -0.40 0.29 0.77 0.00 0.00 0.00 179.25 179.84 2qjp h SER 397 N 0.11 0.48 -0.26 0.00 0.02 -0.70 -1.34 113.55 111.86 2qjp h SER 397 Ca 0.08 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2qjp h SER 397 Cb 0.07 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 2qjp h SER 397 CO -0.10 0.35 0.03 0.00 -1.14 0.00 0.00 176.83 175.97 2qjp h ALA 398 N 1.19 0.25 -0.55 3.77 0.00 -0.61 -1.43 119.26 121.88 2qjp h ALA 398 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qjp h ALA 398 Cb -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2qjp h ALA 398 CO -0.06 -0.38 0.36 -0.92 0.00 0.00 0.00 179.25 178.24 2qjp h TYR 399 N 0.12 0.70 0.27 0.00 3.20 -0.18 -0.55 116.97 120.54 2qjp h TYR 399 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2qjp h TYR 399 Cb 0.14 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2qjp h TYR 399 CO -0.17 0.45 -0.20 2.35 -1.64 0.00 0.00 178.16 178.95 2qjp h TRP 400 N 0.75 -0.51 -0.06 -3.82 2.91 -0.16 -0.90 115.95 114.15 2qjp h TRP 400 Ca 0.20 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.10 2qjp h TRP 400 Cb -0.07 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 2qjp h TRP 400 CO 0.00 -0.30 -0.49 0.74 -1.03 0.00 0.00 178.44 177.36 2qjp h PHE 401 N -0.46 0.20 -0.76 2.65 0.04 -1.31 -2.81 116.94 114.49 2qjp h PHE 401 Ca -0.02 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.70 2qjp h PHE 401 Cb 0.40 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 2qjp h PHE 401 CO -0.11 0.62 0.50 0.00 -0.60 0.00 0.00 178.31 178.72 2qjp h ALA 402 N 1.37 1.46 -0.01 2.45 0.00 -0.78 0.11 119.26 123.86 2qjp h ALA 402 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qjp h ALA 402 Cb 0.92 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qjp h ALA 402 CO 0.07 0.50 0.00 -0.92 0.00 0.00 0.00 179.25 178.90 2qjp h TYR 403 N 1.03 0.02 0.19 0.00 3.20 -0.90 0.27 116.97 120.78 2qjp h TYR 403 Ca 0.28 -0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.88 2qjp h TYR 403 Cb -0.11 -0.01 0.03 0.00 1.54 0.00 0.00 36.73 38.18 2qjp h TYR 403 CO -0.00 0.22 -1.20 0.74 -1.64 0.00 0.00 178.16 176.28 2qjp h PHE 404 N -0.19 0.72 0.13 -3.82 0.04 -1.50 -2.07 116.94 110.25 2qjp h PHE 404 Ca 0.00 -0.53 -0.21 0.00 2.80 0.00 0.00 57.97 60.03 2qjp h PHE 404 Cb 0.21 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 38.36 2qjp h PHE 404 CO -0.00 1.46 -0.92 -0.07 -0.60 0.00 0.00 178.31 178.18 2qjp h LEU 405 N -0.13 0.58 0.00 1.54 3.38 -0.88 -3.40 115.31 116.40 2qjp h LEU 405 Ca -0.22 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.86 2qjp h LEU 405 Cb 1.89 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2qjp h LEU 405 CO 0.19 1.43 -0.61 0.52 0.09 0.00 0.00 178.44 180.06 2qjp n VAL 406 N -4.05 1.11 0.01 1.22 0.31 -0.40 -4.54 118.33 111.99 2qjp n VAL 406 Ca -0.14 0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 2qjp n VAL 406 Cb 0.85 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 2qjp n VAL 406 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qjp h ILE 407 N -0.61 0.38 -0.62 2.52 2.04 -0.63 -2.16 117.51 118.42 2qjp h ILE 407 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2qjp h ILE 407 Cb 0.61 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2qjp h ILE 407 CO 0.00 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.35 2qjp h LEU 408 N -0.34 0.84 -0.69 1.44 3.38 -1.60 0.82 115.31 119.16 2qjp h LEU 408 Ca 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2qjp h LEU 408 Cb 0.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2qjp h LEU 408 CO -0.31 0.76 0.38 -0.65 0.09 0.00 0.00 178.44 178.71 2qjp h PRO 409 N 0.86 0.96 -0.08 1.13 0.11 -1.39 -2.99 132.00 130.61 2qjp h PRO 409 Ca 0.21 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 2qjp h PRO 409 Cb 0.17 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 2qjp h PRO 409 CO -0.02 0.72 -0.03 0.82 -0.21 0.00 0.00 178.00 179.27 2qjp h ILE 410 N 0.95 1.32 -0.45 4.15 2.04 -1.14 -2.96 117.51 121.41 2qjp h ILE 410 Ca 0.24 -1.02 0.13 0.00 1.00 0.00 0.00 64.86 65.21 2qjp h ILE 410 Cb 0.04 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2qjp h ILE 410 CO -0.04 0.28 0.48 -0.07 0.00 0.00 0.00 178.15 178.80 2qjp h LEU 411 N -0.20 0.00 -1.46 1.44 3.38 -0.81 0.41 115.31 118.07 2qjp h LEU 411 Ca 0.02 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.14 2qjp h LEU 411 Cb 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2qjp h LEU 411 CO 0.01 0.00 0.54 1.23 0.09 0.00 0.00 178.44 180.31 2qjp h GLY 412 N 0.00 0.91 0.00 0.83 0.00 -1.36 -2.43 103.07 101.02 2qjp h GLY 412 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2qjp h GLY 412 CO -0.00 0.06 -0.91 0.00 0.00 0.00 0.00 176.54 175.69 2qjp n ALA 413 N -2.49 0.80 -0.17 3.60 0.00 0.09 -4.55 120.51 117.79 2qjp n ALA 413 Ca 0.16 -0.75 -0.06 0.00 0.00 0.00 0.00 53.44 52.79 2qjp n ALA 413 Cb 0.53 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 2qjp n ALA 413 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qjp h ILE 414 N -0.99 0.00 -1.82 0.00 2.04 -1.49 -3.44 117.51 111.81 2qjp h ILE 414 Ca 0.00 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.21 2qjp h ILE 414 Cb 0.91 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 37.09 2qjp h ILE 414 CO 0.00 0.00 0.02 1.21 0.00 0.00 0.00 178.15 179.38 2qjp n GLU 415 N -4.08 0.87 -3.93 2.37 2.13 -0.91 -5.00 120.64 112.09 2qjp n GLU 415 Ca 0.00 0.31 -0.33 0.00 0.66 0.00 0.00 57.16 57.80 2qjp n GLU 415 Cb 0.14 -1.65 -0.14 0.00 0.27 0.00 0.00 31.44 30.06 2qjp n GLU 415 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2qjp s LYS 416 N -0.86 1.71 0.49 5.31 2.47 -1.26 -4.98 119.74 122.62 2qjp s LYS 416 Ca 0.68 -1.83 -0.20 0.00 -1.56 0.00 0.00 55.97 53.06 2qjp s LYS 416 Cb -0.85 -3.34 -0.08 0.00 -1.46 0.00 0.00 37.83 32.10 2qjp s LYS 416 CO 0.56 -0.97 1.03 -1.25 0.16 0.00 0.00 175.35 174.88 2qjp s PRO 417 N 1.00 3.79 0.69 4.03 0.04 -1.26 -4.77 135.00 138.51 2qjp s PRO 417 Ca 0.09 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 2qjp s PRO 417 Cb -0.20 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2qjp s PRO 417 CO -0.06 -0.43 1.08 0.08 0.04 0.00 0.00 177.00 177.71 2qjp s VAL 418 N -2.08 3.74 0.03 -0.36 1.01 -0.83 -5.03 120.40 116.88 2qjp s VAL 418 Ca 0.66 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.96 2qjp s VAL 418 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2qjp s VAL 418 CO 0.22 -0.74 0.73 0.00 0.00 0.00 0.00 175.10 175.31 2qjp s ALA 419 N -3.32 3.39 0.43 5.51 0.00 -1.26 -4.89 121.76 121.62 2qjp s ALA 419 Ca 0.58 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 2qjp s ALA 419 Cb -0.11 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 2qjp s ALA 419 CO 0.52 0.08 0.68 -1.25 0.00 0.00 0.00 175.76 175.80 2qjp s PRO 420 N -0.08 3.39 0.67 0.00 0.04 -1.26 -5.03 135.00 132.73 2qjp s PRO 420 Ca 0.37 -0.15 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 2qjp s PRO 420 Cb -0.20 -2.51 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 2qjp s PRO 420 CO 0.22 -0.12 0.57 -2.30 0.04 0.00 0.00 177.00 175.41 2qjp n PRO 421 N -2.07 0.42 0.11 0.56 -0.02 -1.26 -4.88 135.00 127.86 2qjp n PRO 421 Ca -0.01 0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.61 2qjp n PRO 421 Cb 0.56 -1.83 0.09 0.00 -0.02 0.00 0.00 33.50 32.31 2qjp n PRO 421 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjp h ALA 422 N -0.12 0.80 -2.57 3.55 0.00 -1.97 -3.46 119.26 115.50 2qjp h ALA 422 Ca -0.46 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 53.73 2qjp h ALA 422 Cb 1.37 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 2qjp h ALA 422 CO 0.45 0.86 -0.28 0.95 0.00 0.00 0.00 179.25 181.23 2qjp s THR 423 N -3.44 0.10 0.23 0.00 -4.23 -1.26 -5.02 115.64 102.02 2qjp s THR 423 Ca -0.02 -0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 59.61 2qjp s THR 423 Cb 0.12 -1.06 0.18 0.00 1.34 0.00 0.00 72.50 73.08 2qjp s THR 423 CO 0.79 -0.46 1.82 0.40 -0.54 0.00 0.00 174.62 176.63 2qjp h ILE 424 N 3.04 1.25 -0.22 2.99 2.04 -1.84 -1.80 117.51 122.97 2qjp h ILE 424 Ca -0.33 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 64.85 2qjp h ILE 424 Cb 1.20 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 2qjp h ILE 424 CO 0.49 0.31 -0.27 -0.08 0.00 0.00 0.00 178.15 178.60 2qjp h GLU 425 N 1.15 -0.29 -0.96 2.37 4.81 -1.83 0.38 114.58 120.21 2qjp h GLU 425 Ca 0.27 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 2qjp h GLU 425 Cb 0.15 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2qjp h GLU 425 CO -0.03 -0.19 0.62 1.49 -0.73 0.00 0.00 179.01 180.17 2qjp h GLU 426 N -0.30 1.07 -0.14 1.92 4.81 -1.77 -0.57 114.58 119.61 2qjp h GLU 426 Ca 0.13 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2qjp h GLU 426 Cb 0.50 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2qjp h GLU 426 CO -0.39 0.71 -0.08 0.22 -0.73 0.00 0.00 179.01 178.73 2qjp h ASP 427 N 1.10 0.31 -0.26 1.04 3.58 -0.36 -1.65 116.42 120.19 2qjp h ASP 427 Ca 0.42 -0.43 0.06 0.00 0.42 0.00 0.00 57.03 57.50 2qjp h ASP 427 Cb 0.20 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.10 2qjp h ASP 427 CO -0.16 0.68 -0.14 0.15 -2.88 0.00 0.00 179.24 176.88 2qjp h PHE 428 N -0.05 -0.36 0.54 0.28 3.57 0.27 -3.05 116.94 118.14 2qjp h PHE 428 Ca 0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2qjp h PHE 428 Cb 0.57 0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.51 2qjp h PHE 428 CO 0.07 -0.21 -0.26 -0.91 -2.23 0.00 0.00 178.31 174.77 2qjp h ASN 429 N -0.12 -0.62 0.00 0.41 2.35 -1.13 -3.50 115.58 112.97 2qjp h ASN 429 Ca 0.14 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2qjp h ASN 429 Cb 0.33 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2qjp h ASN 429 CO -0.33 -0.32 0.00 0.00 -1.65 0.00 0.00 177.43 175.13