#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by7 n ASP 3 N 0.00 0.00 0.22 0.00 2.03 -1.26 -4.97 116.55 112.56 1by7 n ASP 3 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 1by7 n ASP 3 Cb 0.00 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 40.90 1by7 n ASP 3 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1by7 h LEU 4 N 0.00 0.00 -0.42 -2.67 3.38 -1.97 -1.82 115.31 111.81 1by7 h LEU 4 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1by7 h LEU 4 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1by7 h LEU 4 CO 0.00 0.21 -0.51 0.00 0.09 0.00 0.00 178.44 178.23 1by7 h VAL 6 N 0.00 1.37 -0.30 0.00 2.07 -1.76 -2.51 116.25 115.11 1by7 h VAL 6 Ca -0.01 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1by7 h VAL 6 Cb 1.22 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1by7 h VAL 6 CO 0.07 0.46 0.20 0.00 0.02 0.00 0.00 177.57 178.32 1by7 h ALA 7 N 0.54 0.38 -0.89 1.67 0.00 -1.18 -0.95 119.26 118.83 1by7 h ALA 7 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1by7 h ALA 7 Cb 0.88 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1by7 h ALA 7 CO 0.06 -0.14 0.57 -0.97 0.00 0.00 0.00 179.25 178.77 1by7 h ASN 8 N 0.41 0.67 -0.13 0.00 -1.24 -0.24 0.38 115.58 115.42 1by7 h ASN 8 Ca 0.11 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.05 1by7 h ASN 8 Cb -0.04 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.92 1by7 h ASN 8 CO -0.02 0.35 -0.34 0.74 -1.29 0.00 0.00 177.43 176.86 1by7 h THR 9 N 0.72 1.37 0.08 -3.57 2.02 -0.94 0.47 112.91 113.06 1by7 h THR 9 Ca 0.45 -1.63 0.02 0.00 0.77 0.00 0.00 66.41 66.02 1by7 h THR 9 Cb 0.68 2.06 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 1by7 h THR 9 CO -0.20 0.49 -0.36 -0.07 0.37 0.00 0.00 175.52 175.75 1by7 h LEU 10 N 0.07 -1.05 -0.40 2.58 3.38 -0.76 -1.44 115.31 117.69 1by7 h LEU 10 Ca -0.01 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1by7 h LEU 10 Cb 0.96 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1by7 h LEU 10 CO 0.07 -0.43 0.14 0.15 0.09 0.00 0.00 178.44 178.47 1by7 h PHE 11 N -0.56 0.25 -0.99 1.13 3.57 -0.90 -2.09 116.94 117.35 1by7 h PHE 11 Ca 0.04 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1by7 h PHE 11 Cb 0.61 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 1by7 h PHE 11 CO -0.34 0.10 0.64 0.00 -2.23 0.00 0.00 178.31 176.48 1by7 h ALA 12 N 1.26 1.44 -0.16 2.41 0.00 0.42 0.14 119.26 124.77 1by7 h ALA 12 Ca 0.19 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1by7 h ALA 12 Cb 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1by7 h ALA 12 CO -0.19 0.39 -0.53 -0.07 0.00 0.00 0.00 179.25 178.84 1by7 h LEU 13 N 1.12 0.75 -1.01 0.00 3.38 -1.18 -0.01 115.31 118.37 1by7 h LEU 13 Ca 0.44 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1by7 h LEU 13 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1by7 h LEU 13 CO -0.19 1.22 0.40 -1.13 0.09 0.00 0.00 178.44 178.84 1by7 h ASN 14 N 0.33 0.99 -0.19 -0.43 -0.00 -0.70 -1.99 115.58 113.58 1by7 h ASN 14 Ca -0.02 -0.10 -0.03 0.00 -0.00 0.00 0.00 56.30 56.16 1by7 h ASN 14 Cb 1.16 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 39.22 1by7 h ASN 14 CO 0.11 0.81 0.02 0.25 -0.00 0.00 0.00 177.43 178.62 1by7 h LEU 15 N 1.10 0.32 -0.32 0.34 5.85 -0.71 -1.78 115.31 120.11 1by7 h LEU 15 Ca 0.27 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1by7 h LEU 15 Cb 0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1by7 h LEU 15 CO -0.04 0.52 0.20 0.15 -0.34 0.00 0.00 178.44 178.93 1by7 h PHE 16 N 0.10 0.41 -0.73 1.25 3.57 -0.93 0.12 116.94 120.72 1by7 h PHE 16 Ca 0.06 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1by7 h PHE 16 Cb 0.34 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1by7 h PHE 16 CO 0.03 0.28 0.47 -0.22 -2.23 0.00 0.00 178.31 176.63 1by7 h LYS 17 N 0.42 0.89 -0.18 1.11 3.64 -1.24 0.15 116.57 121.37 1by7 h LYS 17 Ca 0.11 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 1by7 h LYS 17 Cb -0.02 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1by7 h LYS 17 CO -0.02 0.59 -0.70 0.45 -2.27 0.00 0.00 179.45 177.50 1by7 h HIS 18 N 0.92 0.96 -0.63 1.91 3.86 -1.16 -3.03 115.15 117.98 1by7 h HIS 18 Ca 0.29 -0.40 -0.06 0.00 -1.16 0.00 0.00 60.37 59.05 1by7 h HIS 18 Cb -0.01 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1by7 h HIS 18 CO -0.03 1.21 0.17 1.25 0.86 0.00 0.00 177.93 181.38 1by7 h LEU 19 N 0.52 0.92 -1.44 2.43 5.85 -0.34 -2.24 115.31 121.01 1by7 h LEU 19 Ca -0.03 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1by7 h LEU 19 Cb 1.31 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1by7 h LEU 19 CO 0.14 0.88 0.00 0.00 -0.34 0.00 0.00 178.44 179.12 1by7 h ALA 20 N 1.24 1.00 -0.68 1.25 0.00 -0.70 0.13 119.26 121.49 1by7 h ALA 20 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1by7 h ALA 20 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1by7 h ALA 20 CO -0.00 0.00 0.12 0.87 0.00 0.00 0.00 179.25 180.24 1by7 h LYS 21 N 0.00 1.12 0.01 0.00 1.79 -1.27 -1.46 116.57 116.76 1by7 h LYS 21 Ca 0.00 -0.29 -0.21 0.00 -2.18 0.00 0.00 60.65 57.97 1by7 h LYS 21 Cb 0.35 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1by7 h LYS 21 CO 0.00 1.02 -0.92 0.00 -1.08 0.00 0.00 179.45 178.46 1by7 h ALA 22 N 1.06 0.45 -2.53 3.86 0.00 -1.02 -3.39 119.26 117.68 1by7 h ALA 22 Ca 0.21 -0.74 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 1by7 h ALA 22 Cb 0.43 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.78 1by7 h ALA 22 CO 0.01 0.90 -0.89 0.45 0.00 0.00 0.00 179.25 179.72 1by7 s SER 23 N -6.98 2.27 0.21 0.00 0.15 0.22 -4.98 113.70 104.59 1by7 s SER 23 Ca -0.04 -2.88 0.26 0.00 0.70 0.00 0.00 55.95 54.00 1by7 s SER 23 Cb 0.10 -0.57 0.84 0.00 -1.71 0.00 0.00 66.02 64.68 1by7 s SER 23 CO 0.84 -0.21 1.78 -0.81 1.20 0.00 0.00 173.24 176.04 1by7 n PRO 24 N 3.13 0.24 0.00 5.44 -0.04 -0.56 -4.32 135.00 138.89 1by7 n PRO 24 Ca 0.23 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1by7 n PRO 24 Cb 0.43 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1by7 n PRO 24 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1by7 n THR 25 N -2.23 0.00 -1.38 0.52 -2.24 -1.26 -5.01 114.28 102.68 1by7 n THR 25 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1by7 n THR 25 Cb 0.41 -0.10 0.19 0.00 -2.10 0.00 0.00 70.33 68.73 1by7 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1by7 s GLN 26 N -1.10 0.11 0.26 -0.78 -2.07 -1.26 -4.71 119.66 110.10 1by7 s GLN 26 Ca 0.00 0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.33 1by7 s GLN 26 Cb 0.00 -1.74 -0.14 0.00 -1.09 0.00 0.00 33.01 30.05 1by7 s GLN 26 CO 0.00 -2.86 1.29 0.09 -1.32 0.00 0.00 175.29 172.49 1by7 n ASN 27 N -4.19 2.33 -3.91 12.60 3.02 -1.26 -4.74 115.26 119.11 1by7 n ASN 27 Ca 0.10 1.16 -0.17 0.00 -0.03 0.00 0.00 54.58 55.64 1by7 n ASN 27 Cb 0.59 -1.39 -0.15 0.00 -0.61 0.00 0.00 39.78 38.22 1by7 n ASN 27 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1by7 s LEU 28 N 0.01 1.68 -0.27 3.41 0.20 -0.21 -4.95 118.68 118.55 1by7 s LEU 28 Ca 0.65 -0.08 -0.12 0.00 0.69 0.00 0.00 54.13 55.27 1by7 s LEU 28 Cb -0.67 -0.29 0.11 0.00 -0.43 0.00 0.00 46.19 44.90 1by7 s LEU 28 CO 0.54 0.00 0.62 0.12 -0.29 0.00 0.00 176.35 177.35 1by7 s PHE 29 N 0.35 -1.15 0.21 5.38 5.36 -1.26 -0.12 117.98 126.74 1by7 s PHE 29 Ca -0.04 2.12 -0.13 0.00 -0.96 0.00 0.00 56.93 57.92 1by7 s PHE 29 Cb -0.07 0.67 0.00 0.00 -0.34 0.00 0.00 43.02 43.28 1by7 s PHE 29 CO -0.00 -0.58 0.44 -0.48 -1.46 0.00 0.00 175.22 173.13 1by7 s LEU 30 N 2.37 0.43 -0.40 6.12 0.05 -0.79 -4.41 118.68 122.05 1by7 s LEU 30 Ca -0.07 -0.77 -0.03 0.00 0.05 0.00 0.00 54.13 53.31 1by7 s LEU 30 Cb -0.10 1.72 0.10 0.00 -2.05 0.00 0.00 46.19 45.87 1by7 s LEU 30 CO -0.18 -1.04 0.20 -0.55 -0.55 0.00 0.00 176.35 174.23 1by7 s SER 31 N -2.96 5.27 0.15 1.48 0.15 -1.26 -0.87 113.70 115.66 1by7 s SER 31 Ca 0.17 -1.94 -0.17 0.00 0.70 0.00 0.00 55.95 54.71 1by7 s SER 31 Cb 0.00 -1.84 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1by7 s SER 31 CO 0.03 -0.53 1.76 -0.65 1.20 0.00 0.00 173.24 175.05 1by7 h PRO 32 N 8.09 0.28 -0.89 5.44 0.11 -1.77 -2.70 132.00 140.56 1by7 h PRO 32 Ca -0.15 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.06 1by7 h PRO 32 Cb 1.05 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 1by7 h PRO 32 CO 0.70 0.19 0.52 2.35 -0.21 0.00 0.00 178.00 181.54 1by7 h TRP 33 N 0.29 0.93 -0.02 0.65 7.01 -1.67 0.15 115.95 123.29 1by7 h TRP 33 Ca 0.14 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.02 1by7 h TRP 33 Cb 0.08 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 1by7 h TRP 33 CO -0.12 0.35 -0.67 0.66 -2.79 0.00 0.00 178.44 175.87 1by7 h SER 34 N 0.82 0.12 -0.39 2.65 4.64 -1.78 -1.64 113.55 117.97 1by7 h SER 34 Ca 0.44 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1by7 h SER 34 Cb 0.47 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1by7 h SER 34 CO -0.28 0.75 -0.09 0.40 -0.87 0.00 0.00 176.83 176.74 1by7 h ILE 35 N 0.07 1.28 -0.18 0.95 2.04 -1.09 -0.37 117.51 120.21 1by7 h ILE 35 Ca -0.01 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.69 1by7 h ILE 35 Cb 1.18 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1by7 h ILE 35 CO 0.09 0.39 0.03 0.28 0.00 0.00 0.00 178.15 178.95 1by7 h SER 36 N 0.56 -0.01 -0.25 1.72 0.02 -0.52 0.11 113.55 115.18 1by7 h SER 36 Ca 0.10 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1by7 h SER 36 Cb 0.61 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1by7 h SER 36 CO 0.04 0.02 -0.14 -1.28 -1.14 0.00 0.00 176.83 174.33 1by7 h SER 37 N 0.10 0.56 -0.27 3.07 0.87 -1.27 0.36 113.55 116.97 1by7 h SER 37 Ca 0.08 -0.42 -0.17 0.00 -1.23 0.00 0.00 61.79 60.05 1by7 h SER 37 Cb 0.08 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1by7 h SER 37 CO -0.12 0.86 -0.51 0.71 -0.53 0.00 0.00 176.83 177.24 1by7 h THR 38 N 0.26 1.28 -0.26 2.23 1.35 -0.96 -2.22 112.91 114.59 1by7 h THR 38 Ca 0.05 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.16 1by7 h THR 38 Cb 0.66 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1by7 h THR 38 CO 0.04 0.55 -0.06 0.24 -0.25 0.00 0.00 175.52 176.05 1by7 h MET 39 N 0.59 0.41 -0.72 4.72 2.86 -0.76 -2.61 114.93 119.42 1by7 h MET 39 Ca 0.01 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1by7 h MET 39 Cb 1.12 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 1by7 h MET 39 CO 0.11 0.49 0.35 0.00 1.06 0.00 0.00 176.91 178.92 1by7 h ALA 40 N 1.56 1.27 -0.38 6.32 0.00 -0.65 -1.00 119.26 126.37 1by7 h ALA 40 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1by7 h ALA 40 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1by7 h ALA 40 CO 0.02 0.57 0.01 1.98 0.00 0.00 0.00 179.25 181.82 1by7 h MET 41 N 1.01 0.60 -0.20 0.00 -1.53 -1.03 0.07 114.93 113.85 1by7 h MET 41 Ca 0.25 -0.13 -0.21 0.00 -3.44 0.00 0.00 59.70 56.16 1by7 h MET 41 Cb 0.09 -0.08 0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1by7 h MET 41 CO -0.03 0.62 -0.70 0.28 0.14 0.00 0.00 176.91 177.21 1by7 h VAL 42 N 0.58 1.27 -0.56 -5.77 2.07 -1.26 -2.99 116.25 109.60 1by7 h VAL 42 Ca 0.12 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 1by7 h VAL 42 Cb 0.35 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1by7 h VAL 42 CO 0.01 0.61 0.26 0.22 0.02 0.00 0.00 177.57 178.69 1by7 h TYR 43 N 0.59 0.77 -0.93 1.57 3.20 -0.84 -0.51 116.97 120.82 1by7 h TYR 43 Ca -0.03 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.96 1by7 h TYR 43 Cb 1.33 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.28 1by7 h TYR 43 CO 0.08 0.57 0.59 1.98 -1.64 0.00 0.00 178.16 179.75 1by7 h MET 44 N 0.78 0.74 0.00 1.82 4.05 -0.83 -1.24 114.93 120.26 1by7 h MET 44 Ca 0.20 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1by7 h MET 44 Cb 0.09 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1by7 h MET 44 CO -0.03 0.49 0.00 0.41 0.23 0.00 0.00 176.91 178.02 1by7 n GLY 45 N -1.40 -1.16 3.93 1.39 0.00 -0.21 -4.87 105.19 102.87 1by7 n GLY 45 Ca 0.18 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1by7 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1by7 s SER 46 N -2.42 6.27 0.34 1.61 1.04 -0.47 -1.98 113.70 118.09 1by7 s SER 46 Ca 0.32 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.95 1by7 s SER 46 Cb 0.20 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 1by7 s SER 46 CO 0.42 0.06 0.20 -0.13 0.98 0.00 0.00 173.24 174.76 1by7 s ARG 47 N -3.20 1.73 4.83 4.02 1.81 -0.06 -4.66 118.95 123.43 1by7 s ARG 47 Ca 0.34 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.34 1by7 s ARG 47 Cb -0.11 -0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.35 1by7 s ARG 47 CO 0.28 -0.54 0.00 0.41 -0.68 0.00 0.00 175.30 174.77 1by7 n GLY 48 N -0.67 2.35 0.26 -3.53 0.00 -1.26 -2.05 105.19 100.28 1by7 n GLY 48 Ca 0.02 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.78 1by7 n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1by7 h SER 49 N 8.57 0.00 0.05 1.61 4.64 -1.95 -1.60 113.55 124.86 1by7 h SER 49 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1by7 h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1by7 h SER 49 CO 0.00 0.03 -0.02 0.74 -0.87 0.00 0.00 176.83 176.71 1by7 h THR 50 N 0.00 1.11 -0.55 2.95 2.02 -1.80 -1.08 112.91 115.55 1by7 h THR 50 Ca -0.00 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1by7 h THR 50 Cb 0.65 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1by7 h THR 50 CO 0.00 0.13 0.32 -0.08 0.37 0.00 0.00 175.52 176.27 1by7 h GLU 51 N -0.30 0.76 -0.23 6.66 4.81 -1.13 0.74 114.58 125.88 1by7 h GLU 51 Ca -0.01 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1by7 h GLU 51 Cb 0.27 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1by7 h GLU 51 CO 0.01 0.56 0.11 -0.44 -0.73 0.00 0.00 179.01 178.52 1by7 h ASP 52 N 0.74 0.16 -0.21 1.04 3.32 -1.18 -1.20 116.42 119.10 1by7 h ASP 52 Ca 0.20 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1by7 h ASP 52 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1by7 h ASP 52 CO -0.04 0.12 0.02 1.56 -1.72 0.00 0.00 179.24 179.19 1by7 h GLN 53 N 0.24 0.35 -0.70 3.56 4.20 -1.05 -1.90 115.11 119.80 1by7 h GLN 53 Ca 0.10 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1by7 h GLN 53 Cb 0.03 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1by7 h GLN 53 CO -0.07 0.52 0.43 0.52 -0.67 0.00 0.00 178.83 179.55 1by7 h MET 54 N 0.13 0.79 -0.88 1.46 2.86 -0.53 -1.40 114.93 117.36 1by7 h MET 54 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1by7 h MET 54 Cb 0.35 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1by7 h MET 54 CO 0.01 0.52 0.56 0.00 1.06 0.00 0.00 176.91 179.06 1by7 h ALA 55 N 1.32 1.32 -0.18 6.32 0.00 -1.19 0.18 119.26 127.04 1by7 h ALA 55 Ca 0.29 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1by7 h ALA 55 Cb 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1by7 h ALA 55 CO -0.13 0.60 -0.31 0.87 0.00 0.00 0.00 179.25 180.28 1by7 h LYS 56 N 1.21 0.53 -0.14 0.00 6.56 -1.04 -1.26 116.57 122.43 1by7 h LYS 56 Ca 0.32 -0.33 -0.18 0.00 -1.06 0.00 0.00 60.65 59.40 1by7 h LYS 56 Cb -0.10 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1by7 h LYS 56 CO -0.07 0.93 -0.67 0.28 -2.06 0.00 0.00 179.45 177.86 1by7 h VAL 57 N 0.18 1.34 0.00 0.50 2.07 -0.97 -2.17 116.25 117.20 1by7 h VAL 57 Ca 0.01 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1by7 h VAL 57 Cb 0.89 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1by7 h VAL 57 CO 0.07 0.61 0.00 0.18 0.02 0.00 0.00 177.57 178.45 1by7 n LEU 58 N -3.90 0.00 -0.33 2.57 4.77 0.03 -4.74 117.00 115.40 1by7 n LEU 58 Ca -0.05 0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1by7 n LEU 58 Cb 0.68 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1by7 n LEU 58 CO 0.49 -0.31 -0.04 0.00 -1.33 0.00 0.00 177.39 176.20 1by7 n GLN 59 N -1.49 -0.31 -0.24 3.23 1.13 -0.81 -4.60 117.38 114.29 1by7 n GLN 59 Ca 0.03 0.64 -0.08 0.00 -1.94 0.00 0.00 57.00 55.64 1by7 n GLN 59 Cb 0.12 -4.31 0.04 0.00 0.11 0.00 0.00 30.24 26.20 1by7 n GLN 59 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1by7 h PHE 60 N 0.00 1.18 -0.47 1.08 0.04 -1.45 -2.59 116.94 114.72 1by7 h PHE 60 Ca -0.09 -0.16 -0.14 0.00 2.80 0.00 0.00 57.97 60.38 1by7 h PHE 60 Cb 0.29 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1by7 h PHE 60 CO 0.12 0.98 -0.24 -0.97 -0.60 0.00 0.00 178.31 177.60 1by7 h ASN 61 N 1.03 1.03 -0.45 2.17 -0.00 -1.85 -2.48 115.58 115.02 1by7 h ASN 61 Ca 0.20 -0.41 -0.02 0.00 -0.00 0.00 0.00 56.30 56.07 1by7 h ASN 61 Cb 0.44 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.45 1by7 h ASN 61 CO 0.01 1.21 0.21 -0.08 -0.00 0.00 0.00 177.43 178.79 1by7 h GLU 62 N 0.85 0.70 -0.32 6.67 4.81 -1.80 -2.44 114.58 123.04 1by7 h GLU 62 Ca 0.10 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1by7 h GLU 62 Cb 0.83 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1by7 h GLU 62 CO 0.07 0.57 0.00 1.33 -0.73 0.00 0.00 179.01 180.25 1by7 n VAL 63 N -4.36 0.42 -1.65 0.32 0.24 -1.00 -5.00 118.33 107.30 1by7 n VAL 63 Ca 0.04 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1by7 n VAL 63 Cb 0.14 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1by7 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1by7 n GLY 64 N 1.30 -4.46 0.00 7.63 0.00 -0.92 -2.54 105.19 106.21 1by7 n GLY 64 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1by7 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by7 n ALA 99 N 0.98 0.00 -0.13 4.61 0.00 -1.26 -4.92 120.51 119.79 1by7 n ALA 99 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1by7 n ALA 99 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1by7 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1by7 n ALA 100 N 0.00 -0.20 1.51 0.00 0.00 -1.26 0.56 120.51 121.12 1by7 n ALA 100 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1by7 n ALA 100 Cb 0.00 0.01 0.24 0.00 0.00 0.00 0.00 19.45 19.70 1by7 n ALA 100 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1by7 n ASP 101 N -3.96 0.00 -0.00 0.00 5.68 -1.26 -2.98 116.55 114.04 1by7 n ASP 101 Ca 0.01 -1.25 0.02 0.00 -0.50 0.00 0.00 54.79 53.06 1by7 n ASP 101 Cb 0.08 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.04 1by7 n ASP 101 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1by7 n LYS 102 N -0.67 4.96 0.13 0.11 5.02 0.19 -4.75 118.16 123.16 1by7 n LYS 102 Ca 0.06 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1by7 n LYS 102 Cb 0.03 -0.74 -0.06 0.00 -0.02 0.00 0.00 35.03 34.23 1by7 n LYS 102 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1by7 h ILE 103 N 0.00 0.56 -0.45 -0.18 2.04 -1.41 -0.37 117.51 117.70 1by7 h ILE 103 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 1by7 h ILE 103 Cb 0.11 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1by7 h ILE 103 CO 0.00 0.00 -0.24 0.45 0.00 0.00 0.00 178.15 178.36 1by7 h HIS 104 N -0.41 1.11 -0.46 1.37 3.86 -1.85 -0.62 115.15 118.14 1by7 h HIS 104 Ca 0.01 -0.28 -0.11 0.00 -1.16 0.00 0.00 60.37 58.83 1by7 h HIS 104 Cb 0.40 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1by7 h HIS 104 CO -0.16 1.10 -0.14 0.66 0.86 0.00 0.00 177.93 180.25 1by7 h SER 105 N 0.80 0.87 -0.75 2.45 4.64 -1.86 -0.98 113.55 118.72 1by7 h SER 105 Ca 0.10 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1by7 h SER 105 Cb 0.82 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1by7 h SER 105 CO 0.07 1.01 0.43 0.28 -0.87 0.00 0.00 176.83 177.75 1by7 h SER 106 N 0.77 0.94 -0.52 4.97 0.02 -0.59 -1.10 113.55 118.05 1by7 h SER 106 Ca 0.12 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1by7 h SER 106 Cb 0.66 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1by7 h SER 106 CO 0.05 0.75 0.29 -0.26 -1.14 0.00 0.00 176.83 176.52 1by7 h PHE 107 N 1.06 0.71 -0.64 3.45 0.04 -0.83 -0.38 116.94 120.34 1by7 h PHE 107 Ca 0.27 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.97 1by7 h PHE 107 Cb 0.01 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1by7 h PHE 107 CO 0.01 0.51 0.18 -0.09 -0.60 0.00 0.00 178.31 178.32 1by7 h ARG 108 N 0.69 0.99 -0.15 1.51 2.43 -0.69 -2.16 114.38 117.01 1by7 h ARG 108 Ca 0.18 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1by7 h ARG 108 Cb 0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1by7 h ARG 108 CO -0.03 0.86 0.01 0.77 -1.51 0.00 0.00 179.97 180.07 1by7 h SER 109 N 0.95 0.26 -0.82 -3.80 0.02 -0.86 -2.62 113.55 106.68 1by7 h SER 109 Ca 0.21 -0.29 0.14 0.00 -0.84 0.00 0.00 61.79 61.02 1by7 h SER 109 Cb 0.30 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1by7 h SER 109 CO -0.01 0.48 0.54 -0.07 -1.14 0.00 0.00 176.83 176.63 1by7 h LEU 110 N 0.03 0.53 -0.42 5.07 3.38 -1.08 -0.80 115.31 122.01 1by7 h LEU 110 Ca 0.05 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1by7 h LEU 110 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1by7 h LEU 110 CO 0.01 0.27 -0.53 -1.28 0.09 0.00 0.00 178.44 176.99 1by7 h SER 111 N 0.56 0.80 -0.54 -0.43 0.87 -1.24 0.22 113.55 113.79 1by7 h SER 111 Ca 0.41 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1by7 h SER 111 Cb 0.77 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1by7 h SER 111 CO -0.16 1.17 0.31 0.28 -0.53 0.00 0.00 176.83 177.91 1by7 h SER 112 N 0.55 0.66 -0.18 6.23 0.02 -0.81 0.11 113.55 120.13 1by7 h SER 112 Ca 0.02 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 1by7 h SER 112 Cb 1.11 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1by7 h SER 112 CO 0.11 0.54 -0.34 0.00 -1.14 0.00 0.00 176.83 176.00 1by7 h ALA 113 N 1.15 0.29 0.73 3.77 0.00 -0.49 -3.31 119.26 121.39 1by7 h ALA 113 Ca 0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1by7 h ALA 113 Cb 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1by7 h ALA 113 CO -0.03 0.34 -0.35 0.82 0.00 0.00 0.00 179.25 180.03 1by7 h ILE 114 N 0.21 0.22 -2.51 0.00 2.04 -0.61 -3.50 117.51 113.35 1by7 h ILE 114 Ca 0.01 -0.14 -0.53 0.00 1.00 0.00 0.00 64.86 65.20 1by7 h ILE 114 Cb 0.94 0.25 0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1by7 h ILE 114 CO 0.08 0.01 1.13 0.20 0.00 0.00 0.00 178.15 179.57 1by7 s ASN 115 N -4.39 6.46 -0.06 1.72 0.01 0.39 -5.08 114.94 113.99 1by7 s ASN 115 Ca -0.17 2.68 -0.30 0.00 -0.71 0.00 0.00 52.86 54.36 1by7 s ASN 115 Cb 0.02 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1by7 s ASN 115 CO 0.56 -1.00 1.37 -0.76 -1.51 0.00 0.00 177.10 175.76 1by7 s LEU 122 N 3.27 4.28 -0.34 0.60 1.43 0.23 -5.01 118.68 123.13 1by7 s LEU 122 Ca 0.82 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 55.89 1by7 s LEU 122 Cb -0.44 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.34 1by7 s LEU 122 CO 0.37 -0.74 0.14 -0.22 0.23 0.00 0.00 176.35 176.14 1by7 s LEU 123 N 2.88 1.86 -0.13 1.79 2.96 -1.26 -1.00 118.68 125.79 1by7 s LEU 123 Ca 0.62 -1.83 -0.01 0.00 -0.22 0.00 0.00 54.13 52.68 1by7 s LEU 123 Cb -0.28 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 1by7 s LEU 123 CO 0.23 -0.38 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.18 1by7 s GLU 124 N 1.40 3.36 -0.07 1.98 2.02 -0.10 -4.97 118.70 122.33 1by7 s GLU 124 Ca 0.12 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 1by7 s GLU 124 Cb -0.19 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.36 1by7 s GLU 124 CO -0.19 0.30 -0.01 0.45 0.02 0.00 0.00 175.26 175.83 1by7 s SER 125 N 0.16 1.44 -0.01 -0.19 0.15 -1.26 0.88 113.70 114.87 1by7 s SER 125 Ca -0.05 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.56 1by7 s SER 125 Cb -0.14 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 1by7 s SER 125 CO 0.04 -0.16 -0.18 0.68 1.20 0.00 0.00 173.24 174.81 1by7 s VAL 126 N 1.73 1.46 -0.02 4.45 -7.23 -0.56 -5.00 120.40 115.23 1by7 s VAL 126 Ca 0.01 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 1by7 s VAL 126 Cb -0.13 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.61 1by7 s VAL 126 CO -0.04 0.39 0.23 0.54 -0.31 0.00 0.00 175.10 175.91 1by7 s ASN 127 N -0.50 -0.11 -0.23 4.85 2.20 -1.26 -1.33 114.94 118.57 1by7 s ASN 127 Ca 0.07 0.02 -0.16 0.00 -0.94 0.00 0.00 52.86 51.85 1by7 s ASN 127 Cb -0.07 0.29 0.07 0.00 -2.00 0.00 0.00 41.25 39.54 1by7 s ASN 127 CO -0.01 -0.37 0.57 -0.75 -2.94 0.00 0.00 177.10 173.61 1by7 s LYS 128 N -1.16 0.61 -0.34 3.55 2.20 -0.55 -4.86 119.74 119.19 1by7 s LYS 128 Ca -0.12 0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 56.28 1by7 s LYS 128 Cb -0.06 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1by7 s LYS 128 CO 0.03 -0.13 0.37 -1.17 -0.36 0.00 0.00 175.35 174.09 1by7 s LEU 129 N 1.06 4.42 -0.12 5.43 2.96 -1.26 -1.08 118.68 130.09 1by7 s LEU 129 Ca -0.06 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1by7 s LEU 129 Cb -0.06 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1by7 s LEU 129 CO -0.10 -0.34 0.15 -0.36 -1.32 0.00 0.00 176.35 174.39 1by7 s PHE 130 N 2.03 3.60 -0.02 5.38 0.08 -0.45 -0.85 117.98 127.75 1by7 s PHE 130 Ca 0.12 0.55 -0.04 0.00 0.12 0.00 0.00 56.93 57.68 1by7 s PHE 130 Cb -0.16 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1by7 s PHE 130 CO 0.12 0.73 0.10 0.20 -0.10 0.00 0.00 175.22 176.27 1by7 s GLY 131 N -1.02 -0.00 0.11 4.36 0.00 -0.38 -1.29 107.32 109.09 1by7 s GLY 131 Ca 0.15 0.06 -0.32 0.00 0.00 0.00 0.00 44.72 44.62 1by7 s GLY 131 CO 0.04 -0.01 1.81 -2.21 0.00 0.00 0.00 173.10 172.73 1by7 n GLU 132 N 2.37 2.65 0.05 2.90 4.07 0.08 -0.19 120.64 132.56 1by7 n GLU 132 Ca -0.17 0.96 0.13 0.00 -0.06 0.00 0.00 57.16 58.03 1by7 n GLU 132 Cb 0.58 -2.84 0.60 0.00 -0.06 0.00 0.00 31.44 29.72 1by7 n GLU 132 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1by7 h LYS 133 N 8.25 0.16 0.00 5.31 2.10 -0.36 -1.40 116.57 130.62 1by7 h LYS 133 Ca -0.46 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1by7 h LYS 133 Cb 1.23 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1by7 h LYS 133 CO 0.94 0.10 0.00 -1.13 -2.00 0.00 0.00 179.45 177.36 1by7 n SER 134 N -4.46 0.73 -3.81 7.07 3.41 -1.26 -3.18 113.62 112.12 1by7 n SER 134 Ca 0.06 0.65 -0.41 0.00 -0.26 0.00 0.00 58.87 58.91 1by7 n SER 134 Cb 0.35 -0.82 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1by7 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1by7 n ALA 135 N -1.79 5.54 -1.57 7.33 0.00 -0.53 -4.91 120.51 124.58 1by7 n ALA 135 Ca 0.03 -4.72 -0.50 0.00 0.00 0.00 0.00 53.44 48.24 1by7 n ALA 135 Cb 0.27 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 1by7 n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1by7 n SER 136 N 0.68 1.31 -4.77 0.00 7.64 -1.19 -4.77 113.62 112.53 1by7 n SER 136 Ca 0.35 1.14 -0.39 0.00 1.01 0.00 0.00 58.87 60.97 1by7 n SER 136 Cb 0.30 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.28 1by7 n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1by7 s PHE 137 N -0.01 3.25 0.27 1.43 0.08 -1.26 -4.24 117.98 117.50 1by7 s PHE 137 Ca 0.77 1.59 -0.30 0.00 0.12 0.00 0.00 56.93 59.11 1by7 s PHE 137 Cb -0.90 -3.39 -0.10 0.00 -0.57 0.00 0.00 43.02 38.06 1by7 s PHE 137 CO 0.51 -1.10 1.48 1.03 -0.10 0.00 0.00 175.22 177.03 1by7 s ARG 138 N -1.94 4.23 0.28 0.44 0.52 0.17 -4.87 118.95 117.78 1by7 s ARG 138 Ca 0.51 2.38 -0.02 0.00 -0.52 0.00 0.00 55.73 58.08 1by7 s ARG 138 Cb -0.32 -3.08 0.61 0.00 0.52 0.00 0.00 34.95 32.67 1by7 s ARG 138 CO 0.41 -0.47 1.60 1.49 0.02 0.00 0.00 175.30 178.35 1by7 h GLU 139 N 4.87 0.06 -0.27 3.54 4.81 -1.93 0.26 114.58 125.93 1by7 h GLU 139 Ca -0.46 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 1by7 h GLU 139 Cb 1.22 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1by7 h GLU 139 CO 0.77 0.04 -0.15 1.49 -0.73 0.00 0.00 179.01 180.43 1by7 h GLU 140 N 0.06 0.46 -0.22 1.92 4.57 -1.96 -1.90 114.58 117.52 1by7 h GLU 140 Ca 0.51 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 58.43 1by7 h GLU 140 Cb 0.99 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1by7 h GLU 140 CO -0.81 0.61 -0.36 -0.92 -1.18 0.00 0.00 179.01 176.35 1by7 h TYR 141 N 0.42 0.78 -0.62 0.92 3.20 -0.79 -2.02 116.97 118.86 1by7 h TYR 141 Ca 0.08 -0.27 0.06 0.00 3.14 0.00 0.00 58.73 61.74 1by7 h TYR 141 Cb 0.52 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1by7 h TYR 141 CO 0.02 1.02 0.33 0.82 -1.64 0.00 0.00 178.16 178.70 1by7 h ILE 142 N 0.32 0.94 -0.90 1.81 2.04 -1.11 0.10 117.51 120.71 1by7 h ILE 142 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1by7 h ILE 142 Cb 0.95 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1by7 h ILE 142 CO 0.08 0.11 0.57 -0.09 0.00 0.00 0.00 178.15 178.82 1by7 h ARG 143 N 0.60 1.20 -0.03 2.37 2.43 -1.30 -0.53 114.38 119.13 1by7 h ARG 143 Ca 0.28 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1by7 h ARG 143 Cb 0.20 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1by7 h ARG 143 CO -0.19 0.82 -0.70 -0.07 -1.51 0.00 0.00 179.97 178.31 1by7 h LEU 144 N 1.23 0.21 -0.22 3.80 3.38 -0.67 -0.62 115.31 122.41 1by7 h LEU 144 Ca 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1by7 h LEU 144 Cb -0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1by7 h LEU 144 CO -0.07 0.84 0.11 0.00 0.09 0.00 0.00 178.44 179.42 1by7 h GLN 146 N 0.23 -0.65 -0.01 0.00 4.20 -0.67 -0.63 115.11 117.59 1by7 h GLN 146 Ca 0.08 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1by7 h GLN 146 Cb 0.10 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1by7 h GLN 146 CO -0.01 -0.43 -0.05 -0.22 -0.67 0.00 0.00 178.83 177.45 1by7 h LYS 147 N -0.67 -0.09 0.00 1.46 3.64 -0.97 -0.04 116.57 119.90 1by7 h LYS 147 Ca -0.03 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1by7 h LYS 147 Cb 0.59 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1by7 h LYS 147 CO -0.02 -0.06 -1.55 0.66 -2.27 0.00 0.00 179.45 176.21 1by7 n TYR 148 N -5.17 0.90 -0.17 1.91 4.01 -0.03 -4.57 117.16 114.04 1by7 n TYR 148 Ca -0.06 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1by7 n TYR 148 Cb 0.10 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.04 1by7 n TYR 148 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1by7 n TYR 149 N -2.89 0.00 -4.06 -0.72 4.01 -0.34 -3.81 117.16 109.36 1by7 n TYR 149 Ca -0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 1by7 n TYR 149 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.90 1by7 n TYR 149 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1by7 n SER 150 N -0.04 -1.46 -3.88 7.72 7.64 -0.03 -4.94 113.62 118.62 1by7 n SER 150 Ca 0.00 -1.01 -0.17 0.00 1.01 0.00 0.00 58.87 58.71 1by7 n SER 150 Cb 0.04 -2.94 -0.15 0.00 -1.01 0.00 0.00 64.21 60.15 1by7 n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1by7 s SER 151 N -3.97 0.51 -0.28 6.43 0.15 -0.96 -4.94 113.70 110.64 1by7 s SER 151 Ca 0.28 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 1by7 s SER 151 Cb -0.15 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1by7 s SER 151 CO 0.90 -0.03 0.02 -0.70 1.20 0.00 0.00 173.24 174.64 1by7 s GLU 152 N 0.52 2.86 0.48 5.44 2.12 -1.26 -2.67 118.70 126.19 1by7 s GLU 152 Ca -0.05 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.05 1by7 s GLU 152 Cb -0.09 -3.22 -0.08 0.00 0.26 0.00 0.00 34.13 31.01 1by7 s GLU 152 CO -0.01 -0.48 1.23 -2.30 -0.54 0.00 0.00 175.26 173.17 1by7 n PRO 153 N 4.76 1.67 -4.63 4.30 -0.02 -1.26 -4.65 135.00 135.17 1by7 n PRO 153 Ca -0.15 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 1by7 n PRO 153 Cb 0.47 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 1by7 n PRO 153 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1by7 s GLN 154 N -2.46 1.63 0.20 -0.52 0.74 -0.03 -5.01 119.66 114.21 1by7 s GLN 154 Ca 0.66 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 1by7 s GLN 154 Cb -0.47 -1.38 -0.08 0.00 1.10 0.00 0.00 33.01 32.18 1by7 s GLN 154 CO 0.54 0.09 0.94 0.00 -0.55 0.00 0.00 175.29 176.31 1by7 s ALA 155 N 0.45 3.32 0.31 1.58 0.00 -1.26 -1.25 121.76 124.90 1by7 s ALA 155 Ca -0.11 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1by7 s ALA 155 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1by7 s ALA 155 CO 0.03 0.14 0.12 0.14 0.00 0.00 0.00 175.76 176.20 1by7 s VAL 156 N -0.83 0.53 -0.74 0.00 -7.23 0.73 -4.87 120.40 108.00 1by7 s VAL 156 Ca 0.43 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1by7 s VAL 156 Cb -0.25 -2.56 0.19 0.00 0.56 0.00 0.00 36.38 34.31 1by7 s VAL 156 CO 0.31 0.00 0.59 -0.62 -0.31 0.00 0.00 175.10 175.07 1by7 s ASP 157 N -3.40 5.66 0.04 4.85 -1.08 -1.26 0.43 116.67 121.90 1by7 s ASP 157 Ca 0.35 -3.12 -0.17 0.00 -0.52 0.00 0.00 52.55 49.09 1by7 s ASP 157 Cb 0.06 -1.92 -0.24 0.00 -1.46 0.00 0.00 42.92 39.36 1by7 s ASP 157 CO 0.16 -0.33 1.13 -0.26 0.52 0.00 0.00 175.17 176.38 1by7 h PHE 158 N 6.79 0.85 -0.72 -5.34 0.04 -1.87 -0.55 116.94 116.14 1by7 h PHE 158 Ca 0.06 -0.48 0.03 0.00 2.80 0.00 0.00 57.97 60.38 1by7 h PHE 158 Cb 0.92 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 1by7 h PHE 158 CO 0.76 1.31 0.45 1.25 -0.60 0.00 0.00 178.31 181.48 1by7 h LEU 159 N 0.15 0.75 0.00 1.54 5.85 -1.83 -3.11 115.31 118.66 1by7 h LEU 159 Ca -0.12 -0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.36 1by7 h LEU 159 Cb 1.57 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 1by7 h LEU 159 CO 0.17 0.52 -1.91 -0.62 -0.34 0.00 0.00 178.44 176.26 1by7 n GLU 160 N -4.65 1.31 -3.06 1.25 -0.58 -1.26 -4.72 120.64 108.93 1by7 n GLU 160 Ca 0.08 0.03 -0.20 0.00 -0.42 0.00 0.00 57.16 56.65 1by7 n GLU 160 Cb 0.08 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1by7 n GLU 160 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1by7 h ALA 162 N 2.98 1.48 -0.52 0.00 0.00 -1.45 -1.03 119.26 120.73 1by7 h ALA 162 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1by7 h ALA 162 Cb 0.86 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1by7 h ALA 162 CO 0.59 0.39 0.21 1.49 0.00 0.00 0.00 179.25 181.93 1by7 h GLU 163 N 1.07 0.77 -0.90 0.00 4.57 -1.89 0.27 114.58 118.48 1by7 h GLU 163 Ca 0.40 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1by7 h GLU 163 Cb 0.17 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1by7 h GLU 163 CO -0.15 0.68 0.60 0.93 -1.18 0.00 0.00 179.01 179.89 1by7 h GLU 164 N 0.70 1.16 -0.43 1.92 5.08 -1.81 0.39 114.58 121.59 1by7 h GLU 164 Ca 0.17 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1by7 h GLU 164 Cb 0.19 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1by7 h GLU 164 CO -0.02 0.77 0.09 0.00 -1.00 0.00 0.00 179.01 178.86 1by7 h ALA 165 N 1.45 0.57 -0.50 3.43 0.00 -0.38 -0.18 119.26 123.64 1by7 h ALA 165 Ca 0.34 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1by7 h ALA 165 Cb -0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 1by7 h ALA 165 CO -0.08 0.26 0.16 -0.09 0.00 0.00 0.00 179.25 179.50 1by7 h ARG 166 N 0.56 0.32 0.00 0.00 2.43 0.11 0.34 114.38 118.14 1by7 h ARG 166 Ca 0.13 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1by7 h ARG 166 Cb 0.34 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1by7 h ARG 166 CO 0.00 0.21 -0.49 0.87 -1.51 0.00 0.00 179.97 179.05 1by7 h LYS 167 N 0.33 0.00 -0.08 0.20 1.57 0.45 -1.86 116.57 117.18 1by7 h LYS 167 Ca 0.25 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1by7 h LYS 167 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1by7 h LYS 167 CO -0.27 0.49 -0.61 0.87 -0.57 0.00 0.00 179.45 179.36 1by7 h LYS 168 N 0.00 0.30 -0.33 3.15 1.57 0.76 -2.26 116.57 119.75 1by7 h LYS 168 Ca -0.00 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1by7 h LYS 168 Cb 0.95 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1by7 h LYS 168 CO 0.06 0.82 0.13 0.82 -0.57 0.00 0.00 179.45 180.71 1by7 h ILE 169 N 0.22 1.19 0.00 1.86 2.04 -0.15 -2.13 117.51 120.54 1by7 h ILE 169 Ca -0.01 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1by7 h ILE 169 Cb 1.13 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1by7 h ILE 169 CO 0.10 0.21 -0.31 0.78 0.00 0.00 0.00 178.15 178.92 1by7 h ASN 170 N 0.39 0.00 0.12 1.72 2.35 -1.28 -1.64 115.58 117.25 1by7 h ASN 170 Ca 0.11 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 1by7 h ASN 170 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1by7 h ASN 170 CO -0.01 0.31 -0.66 0.28 -1.65 0.00 0.00 177.43 175.70 1by7 h SER 171 N 0.00 0.58 -0.52 5.81 0.02 -1.22 -1.00 113.55 117.22 1by7 h SER 171 Ca -0.00 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1by7 h SER 171 Cb 0.56 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1by7 h SER 171 CO 0.04 1.09 0.18 -0.25 -1.14 0.00 0.00 176.83 176.74 1by7 h TRP 172 N 0.36 0.83 0.66 3.45 7.01 -1.07 0.18 115.95 127.36 1by7 h TRP 172 Ca -0.02 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 60.87 1by7 h TRP 172 Cb 1.23 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 28.05 1by7 h TRP 172 CO 0.05 0.70 -0.31 0.28 -2.79 0.00 0.00 178.44 176.37 1by7 h VAL 173 N 0.71 0.24 -0.73 2.65 2.07 -1.17 -0.32 116.25 119.70 1by7 h VAL 173 Ca 0.17 -0.24 0.16 0.00 0.82 0.00 0.00 66.70 67.61 1by7 h VAL 173 Cb 0.25 0.30 -0.12 0.00 -1.52 0.00 0.00 31.29 30.21 1by7 h VAL 173 CO -0.01 0.02 0.11 0.50 0.02 0.00 0.00 177.57 178.22 1by7 h LYS 174 N -1.07 0.19 0.29 1.57 3.64 -0.82 -1.11 116.57 119.27 1by7 h LYS 174 Ca -0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1by7 h LYS 174 Cb 0.71 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1by7 h LYS 174 CO 0.15 0.13 -0.14 1.15 -2.27 0.00 0.00 179.45 178.47 1by7 h THR 175 N 0.20 0.00 0.00 1.00 2.02 -0.39 -1.93 112.91 113.81 1by7 h THR 175 Ca 0.41 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1by7 h THR 175 Cb 0.70 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1by7 h THR 175 CO -0.56 0.00 0.31 1.56 0.37 0.00 0.00 175.52 177.21 1by7 h GLN 176 N -0.39 0.00 -0.28 6.66 1.08 -0.52 0.89 115.11 122.55 1by7 h GLN 176 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1by7 h GLN 176 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1by7 h GLN 176 CO 0.07 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.20 1by7 n THR 177 N -2.22 1.55 -3.95 -0.54 -2.24 -0.47 -4.97 114.28 101.44 1by7 n THR 177 Ca -0.01 -1.40 -0.40 0.00 -2.27 0.00 0.00 64.05 59.97 1by7 n THR 177 Cb 0.34 0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1by7 n THR 177 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1by7 n LYS 178 N -0.03 -0.63 0.00 -0.78 5.02 0.31 -0.49 118.16 121.56 1by7 n LYS 178 Ca 0.15 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1by7 n LYS 178 Cb 0.61 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1by7 n LYS 178 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1by7 n GLY 179 N -1.95 2.13 0.33 0.72 0.00 -0.76 -4.86 105.19 100.81 1by7 n GLY 179 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1by7 n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1by7 h LYS 180 N 1.41 0.92 -3.25 1.61 1.57 -1.04 -3.33 116.57 114.47 1by7 h LYS 180 Ca 0.00 -0.10 -0.63 0.00 -1.87 0.00 0.00 60.65 58.05 1by7 h LYS 180 Cb 0.00 -0.18 -0.41 0.00 0.08 0.00 0.00 32.23 31.72 1by7 h LYS 180 CO 0.00 0.69 -0.65 0.42 -0.57 0.00 0.00 179.45 179.34 1by7 s ILE 181 N -5.61 2.39 0.35 1.86 -1.09 -1.26 -4.96 121.20 112.89 1by7 s ILE 181 Ca -0.10 -3.33 0.10 0.00 -2.23 0.00 0.00 60.65 55.09 1by7 s ILE 181 Cb 0.17 -2.65 0.09 0.00 -1.58 0.00 0.00 42.46 38.49 1by7 s ILE 181 CO 0.79 -0.85 1.81 1.55 -1.23 0.00 0.00 174.94 177.00 1by7 h PRO 182 N 6.36 0.11 -1.96 2.79 0.13 -1.90 -2.68 132.00 134.85 1by7 h PRO 182 Ca -0.03 -0.04 -0.48 0.00 -0.87 0.00 0.00 66.00 64.58 1by7 h PRO 182 Cb 0.88 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.60 1by7 h PRO 182 CO 0.65 0.44 -1.19 0.09 -0.23 0.00 0.00 178.00 177.77 1by7 n ASN 183 N -4.11 0.92 -0.23 1.44 4.13 -1.26 -4.67 115.26 111.48 1by7 n ASN 183 Ca -0.02 -3.01 -0.04 0.00 1.68 0.00 0.00 54.58 53.20 1by7 n ASN 183 Cb 0.40 -0.62 0.02 0.00 -1.54 0.00 0.00 39.78 38.05 1by7 n ASN 183 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1by7 h LEU 184 N 3.00 -1.12 -9.75 3.41 5.85 -1.86 -3.39 115.31 111.45 1by7 h LEU 184 Ca 0.09 0.23 -0.62 0.00 0.84 0.00 0.00 57.88 58.43 1by7 h LEU 184 Cb 0.97 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 1by7 h LEU 184 CO 0.51 -0.29 -0.32 -0.76 -0.34 0.00 0.00 178.44 177.23 1by7 s LEU 185 N -10.77 4.39 0.28 2.25 1.43 -1.26 -5.10 118.68 109.90 1by7 s LEU 185 Ca -0.14 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1by7 s LEU 185 Cb 0.17 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1by7 s LEU 185 CO 0.70 0.26 0.21 -2.16 0.23 0.00 0.00 176.35 175.59 1by7 s PRO 186 N -1.58 2.82 0.00 1.29 0.04 -1.26 -4.97 135.00 131.34 1by7 s PRO 186 Ca 0.27 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1by7 s PRO 186 Cb -0.14 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1by7 s PRO 186 CO 0.15 0.31 0.00 -1.91 0.04 0.00 0.00 177.00 175.59 1by7 n GLU 187 N -1.21 0.00 -0.61 4.56 0.00 -1.26 -0.34 120.64 121.78 1by7 n GLU 187 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.13 1by7 n GLU 187 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 31.44 32.07 1by7 n GLU 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1by7 n GLY 188 N -0.34 1.65 0.07 8.31 0.00 -1.26 -4.86 105.19 108.76 1by7 n GLY 188 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.67 1by7 n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1by7 n SER 189 N -0.23 0.34 -3.98 1.61 3.41 0.54 -4.63 113.62 110.68 1by7 n SER 189 Ca 0.05 0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 59.15 1by7 n SER 189 Cb 0.77 -0.67 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1by7 n SER 189 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1by7 s VAL 190 N -3.20 0.22 0.00 -3.33 1.01 -1.26 -5.02 120.40 108.81 1by7 s VAL 190 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1by7 s VAL 190 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1by7 s VAL 190 CO 0.27 -0.32 0.00 -0.90 0.00 0.00 0.00 175.10 174.14 1by7 n ASP 191 N 1.96 0.00 0.33 3.32 5.68 -1.26 -4.72 116.55 121.85 1by7 n ASP 191 Ca -0.21 -0.45 0.21 0.00 -0.50 0.00 0.00 54.79 53.85 1by7 n ASP 191 Cb 0.56 0.00 1.13 0.00 -1.14 0.00 0.00 41.12 41.67 1by7 n ASP 191 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1by7 h GLY 192 N 0.00 0.00 1.43 6.12 0.00 -1.85 0.13 103.07 108.91 1by7 h GLY 192 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1by7 h GLY 192 CO 0.00 0.00 -0.45 -0.55 0.00 0.00 0.00 176.54 175.54 1by7 h ASP 193 N 0.00 0.00 -3.96 0.19 3.32 -1.92 -3.40 116.42 110.65 1by7 h ASP 193 Ca -0.00 -0.11 -0.54 0.00 0.02 0.00 0.00 57.03 56.40 1by7 h ASP 193 Cb 0.02 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.68 1by7 h ASP 193 CO 0.00 0.06 0.76 -0.89 -1.72 0.00 0.00 179.24 177.45 1by7 s THR 194 N -3.18 2.04 -0.03 0.35 2.01 0.46 -4.93 115.64 112.37 1by7 s THR 194 Ca 0.07 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1by7 s THR 194 Cb 0.12 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1by7 s THR 194 CO 0.69 0.01 -0.01 0.54 -0.69 0.00 0.00 174.62 175.16 1by7 n ARG 195 N 0.29 1.68 -3.64 4.92 5.12 -1.26 -4.66 116.66 119.11 1by7 n ARG 195 Ca 0.02 0.01 -0.08 0.00 -1.93 0.00 0.00 57.85 55.87 1by7 n ARG 195 Cb 0.40 -1.06 -0.07 0.00 -1.16 0.00 0.00 32.46 30.57 1by7 n ARG 195 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1by7 s MET 196 N -2.06 0.71 0.05 5.56 1.75 -1.22 -0.75 119.30 123.34 1by7 s MET 196 Ca -0.03 1.17 0.04 0.00 -1.25 0.00 0.00 55.69 55.62 1by7 s MET 196 Cb 0.01 0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.83 1by7 s MET 196 CO 0.08 -0.14 -0.11 0.14 -0.65 0.00 0.00 175.02 174.34 1by7 s VAL 197 N 1.45 0.82 -0.10 10.11 -7.23 -0.41 -0.14 120.40 124.89 1by7 s VAL 197 Ca -0.09 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1by7 s VAL 197 Cb -0.05 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1by7 s VAL 197 CO -0.17 -0.24 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.05 1by7 s LEU 198 N -1.47 2.82 0.04 1.32 2.96 -0.76 -1.34 118.68 122.24 1by7 s LEU 198 Ca -0.05 -0.24 0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1by7 s LEU 198 Cb -0.09 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1by7 s LEU 198 CO 0.01 0.24 -0.26 0.68 -1.32 0.00 0.00 176.35 175.70 1by7 s VAL 199 N -0.08 2.18 -0.21 1.68 -7.23 -0.24 -0.49 120.40 116.01 1by7 s VAL 199 Ca -0.02 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1by7 s VAL 199 Cb -0.14 -1.85 0.10 0.00 0.56 0.00 0.00 36.38 35.05 1by7 s VAL 199 CO 0.04 0.37 0.43 0.21 -0.31 0.00 0.00 175.10 175.84 1by7 s ASN 200 N -1.23 -0.26 -0.03 4.85 2.47 0.10 -1.48 114.94 119.36 1by7 s ASN 200 Ca 0.12 0.96 0.03 0.00 0.42 0.00 0.00 52.86 54.39 1by7 s ASN 200 Cb -0.10 1.38 0.00 0.00 -1.45 0.00 0.00 41.25 41.08 1by7 s ASN 200 CO 0.02 -0.24 -0.11 0.00 -3.72 0.00 0.00 177.10 173.06 1by7 s ALA 201 N 2.62 1.04 0.01 1.71 0.00 -0.44 -0.14 121.76 126.56 1by7 s ALA 201 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1by7 s ALA 201 Cb -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1by7 s ALA 201 CO -0.13 0.16 -0.03 0.08 0.00 0.00 0.00 175.76 175.83 1by7 s VAL 202 N 0.24 0.22 -0.01 0.00 1.01 0.91 -1.50 120.40 121.28 1by7 s VAL 202 Ca -0.05 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1by7 s VAL 202 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1by7 s VAL 202 CO 0.01 -0.17 -0.04 -0.47 0.00 0.00 0.00 175.10 174.44 1by7 s TYR 203 N -0.64 0.38 -0.00 5.22 5.04 0.25 -1.56 117.35 126.03 1by7 s TYR 203 Ca -0.05 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.52 1by7 s TYR 203 Cb -0.05 -0.27 -0.00 0.00 0.35 0.00 0.00 41.96 41.99 1by7 s TYR 203 CO -0.00 -0.02 -0.05 0.12 -1.34 0.00 0.00 175.55 174.26 1by7 s PHE 204 N 0.04 0.40 -0.27 4.97 5.36 -0.47 -0.92 117.98 127.09 1by7 s PHE 204 Ca 0.00 -0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 55.86 1by7 s PHE 204 Cb -0.03 -0.26 0.16 0.00 -0.34 0.00 0.00 43.02 42.55 1by7 s PHE 204 CO -0.00 -0.01 0.47 0.21 -1.46 0.00 0.00 175.22 174.43 1by7 s LYS 205 N -0.16 0.44 0.55 10.12 2.20 -0.17 -2.39 119.74 130.33 1by7 s LYS 205 Ca 0.01 0.69 0.09 0.00 -0.36 0.00 0.00 55.97 56.41 1by7 s LYS 205 Cb -0.02 -0.06 0.07 0.00 -1.51 0.00 0.00 37.83 36.32 1by7 s LYS 205 CO -0.00 -0.67 0.72 0.20 -0.36 0.00 0.00 175.35 175.24 1by7 s GLY 206 N 2.67 1.83 -0.32 5.54 0.00 -1.26 -0.60 107.32 115.17 1by7 s GLY 206 Ca 0.16 -2.00 -0.06 0.00 0.00 0.00 0.00 44.72 42.82 1by7 s GLY 206 CO -0.19 -1.70 0.08 0.54 0.00 0.00 0.00 173.10 171.83 1by7 s LYS 207 N -4.58 2.71 0.63 2.90 1.02 -1.26 -4.92 119.74 116.23 1by7 s LYS 207 Ca 0.58 -1.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 1by7 s LYS 207 Cb -0.06 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1by7 s LYS 207 CO 0.36 -0.60 1.19 0.91 -0.92 0.00 0.00 175.35 176.30 1by7 n TRP 208 N 4.80 1.60 0.04 3.18 5.03 -1.03 -1.77 117.44 129.28 1by7 n TRP 208 Ca -0.13 0.43 -0.05 0.00 3.03 0.00 0.00 57.50 60.78 1by7 n TRP 208 Cb 0.45 -2.23 0.16 0.00 -1.03 0.00 0.00 31.31 28.66 1by7 n TRP 208 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 1by7 h LYS 209 N 0.57 0.40 -4.65 -0.99 3.64 -1.47 0.23 116.57 114.29 1by7 h LYS 209 Ca -0.50 -0.20 -0.58 0.00 -1.27 0.00 0.00 60.65 58.10 1by7 h LYS 209 Cb 1.35 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.82 1by7 h LYS 209 CO 0.52 0.75 -0.83 0.99 -2.27 0.00 0.00 179.45 178.61 1by7 s THR 210 N -4.17 1.45 0.41 1.00 2.01 -1.26 -4.20 115.64 110.88 1by7 s THR 210 Ca -0.06 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 1by7 s THR 210 Cb 0.13 -1.35 -0.11 0.00 0.01 0.00 0.00 72.50 71.18 1by7 s THR 210 CO 0.80 0.43 0.96 -2.65 -0.69 0.00 0.00 174.62 173.47 1by7 n PRO 211 N 4.45 1.25 -2.17 4.92 -0.02 -1.26 -4.76 135.00 137.41 1by7 n PRO 211 Ca -0.18 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.49 1by7 n PRO 211 Cb 0.51 -1.96 0.07 0.00 -0.02 0.00 0.00 33.50 32.10 1by7 n PRO 211 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1by7 s PHE 212 N -1.27 2.87 -0.16 6.00 0.40 -0.45 -4.93 117.98 120.43 1by7 s PHE 212 Ca 0.63 0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 57.34 1by7 s PHE 212 Cb -0.58 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 39.67 1by7 s PHE 212 CO 0.57 -1.48 0.09 -1.21 0.70 0.00 0.00 175.22 173.90 1by7 s GLU 213 N -5.29 3.83 -0.38 0.44 2.02 0.15 -4.83 118.70 114.63 1by7 s GLU 213 Ca 0.61 -0.27 -0.29 0.00 0.02 0.00 0.00 54.97 55.04 1by7 s GLU 213 Cb -0.11 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1by7 s GLU 213 CO 0.45 0.43 1.35 0.15 0.02 0.00 0.00 175.26 177.66 1by7 s LYS 214 N -0.05 3.69 0.00 1.61 1.02 -1.26 0.30 119.74 125.05 1by7 s LYS 214 Ca 0.08 1.00 0.00 0.00 0.02 0.00 0.00 55.97 57.06 1by7 s LYS 214 Cb -0.12 -3.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 1by7 s LYS 214 CO 0.00 -1.42 0.00 1.63 -0.92 0.00 0.00 175.35 174.65 1by7 n LYS 215 N 7.83 0.00 -3.65 1.68 4.76 -0.85 -4.94 118.16 122.98 1by7 n LYS 215 Ca 0.16 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 1by7 n LYS 215 Cb 0.48 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.55 1by7 n LYS 215 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1by7 s LEU 219 N 0.00 3.96 0.25 -0.35 1.43 -1.26 -4.85 118.68 117.85 1by7 s LEU 219 Ca 0.00 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1by7 s LEU 219 Cb 0.00 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1by7 s LEU 219 CO 0.00 -0.12 0.55 -0.31 0.23 0.00 0.00 176.35 176.69 1by7 s TYR 220 N 1.66 3.45 -0.15 0.29 1.51 0.71 -4.72 117.35 120.09 1by7 s TYR 220 Ca 0.06 0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 56.61 1by7 s TYR 220 Cb -0.16 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.47 1by7 s TYR 220 CO 0.07 0.23 1.35 -1.25 -1.11 0.00 0.00 175.55 174.85 1by7 s PRO 221 N -3.08 4.19 -0.21 -1.71 0.04 -1.26 0.38 135.00 133.34 1by7 s PRO 221 Ca 0.46 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 1by7 s PRO 221 Cb -0.11 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.56 1by7 s PRO 221 CO 0.25 -0.78 0.12 0.12 0.04 0.00 0.00 177.00 176.75 1by7 s PHE 222 N 3.72 3.32 -0.40 0.56 2.19 0.10 -4.90 117.98 122.57 1by7 s PHE 222 Ca 0.59 0.20 -0.28 0.00 0.33 0.00 0.00 56.93 57.77 1by7 s PHE 222 Cb -0.24 -2.18 0.02 0.00 -1.31 0.00 0.00 43.02 39.32 1by7 s PHE 222 CO 0.18 0.16 1.05 0.50 1.83 0.00 0.00 175.22 178.94 1by7 s ARG 223 N 0.64 3.83 0.04 10.12 3.52 0.42 -1.09 118.95 136.44 1by7 s ARG 223 Ca 0.06 0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 56.19 1by7 s ARG 223 Cb -0.12 -3.83 -0.32 0.00 -1.56 0.00 0.00 34.95 29.11 1by7 s ARG 223 CO 0.01 -1.12 1.06 0.28 -0.81 0.00 0.00 175.30 174.72 1by7 h VAL 224 N 5.97 1.28 -2.71 7.11 2.07 -1.28 -3.36 116.25 125.34 1by7 h VAL 224 Ca -0.22 -2.55 0.04 0.00 0.82 0.00 0.00 66.70 64.78 1by7 h VAL 224 Cb 1.07 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1by7 h VAL 224 CO 1.06 0.77 0.35 -0.46 0.02 0.00 0.00 177.57 179.31 1by7 n ASN 225 N -3.76 -1.84 0.01 0.57 0.23 -0.96 -4.26 115.26 105.25 1by7 n ASN 225 Ca -0.15 -2.17 0.06 0.00 -0.53 0.00 0.00 54.58 51.79 1by7 n ASN 225 Cb 1.04 3.04 0.26 0.00 -2.08 0.00 0.00 39.78 42.03 1by7 n ASN 225 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1by7 n SER 226 N -1.37 0.06 -0.20 0.53 3.41 -0.44 -2.30 113.62 113.30 1by7 n SER 226 Ca -0.06 0.52 0.03 0.00 -0.26 0.00 0.00 58.87 59.10 1by7 n SER 226 Cb 0.52 -0.53 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1by7 n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1by7 n ALA 227 N -1.52 2.51 -3.48 7.33 0.00 -1.26 -5.04 120.51 119.04 1by7 n ALA 227 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1by7 n ALA 227 Cb 0.13 -0.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.25 1by7 n ALA 227 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1by7 s GLN 228 N -0.57 0.07 0.04 0.00 -0.21 -0.98 -5.11 119.66 112.90 1by7 s GLN 228 Ca 0.06 0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.73 1by7 s GLN 228 Cb 0.05 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 1by7 s GLN 228 CO 0.08 -0.11 -0.11 1.03 -2.12 0.00 0.00 175.29 174.06 1by7 s ARG 229 N 0.76 0.72 -0.03 2.91 0.52 -1.26 -0.93 118.95 121.64 1by7 s ARG 229 Ca -0.06 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1by7 s ARG 229 Cb -0.08 -0.65 0.01 0.00 0.52 0.00 0.00 34.95 34.76 1by7 s ARG 229 CO -0.03 0.15 -0.07 0.99 0.02 0.00 0.00 175.30 176.36 1by7 s THR 230 N -0.96 0.63 0.18 0.02 2.01 -0.25 -4.89 115.64 112.38 1by7 s THR 230 Ca -0.02 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 1by7 s THR 230 Cb -0.08 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.75 1by7 s THR 230 CO 0.01 0.22 1.33 -2.84 -0.69 0.00 0.00 174.62 172.66 1by7 s PRO 231 N 0.50 4.36 0.09 4.92 0.02 -1.26 0.02 135.00 143.65 1by7 s PRO 231 Ca -0.07 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.06 1by7 s PRO 231 Cb -0.11 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1by7 s PRO 231 CO 0.00 -0.31 -0.12 0.14 -0.33 0.00 0.00 177.00 176.38 1by7 s VAL 232 N 0.39 1.05 -0.19 3.83 -7.23 0.16 -4.87 120.40 113.54 1by7 s VAL 232 Ca 0.59 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1by7 s VAL 232 Cb -0.37 -1.28 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1by7 s VAL 232 CO 0.36 -0.43 1.12 -1.58 -0.31 0.00 0.00 175.10 174.26 1by7 s GLN 233 N -2.43 4.27 0.15 4.82 2.00 -1.26 -0.21 119.66 126.99 1by7 s GLN 233 Ca 0.04 1.48 -0.02 0.00 -2.00 0.00 0.00 55.36 54.86 1by7 s GLN 233 Cb -0.06 -3.67 -0.05 0.00 0.80 0.00 0.00 33.01 30.04 1by7 s GLN 233 CO 0.01 -0.63 0.34 -1.64 -0.50 0.00 0.00 175.29 172.87 1by7 s MET 234 N 3.18 3.53 0.03 1.67 -1.94 -1.26 -1.94 119.30 122.56 1by7 s MET 234 Ca 0.48 -0.30 0.08 0.00 -1.71 0.00 0.00 55.69 54.24 1by7 s MET 234 Cb -0.18 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.74 1by7 s MET 234 CO 0.10 0.48 -0.25 -1.64 -0.01 0.00 0.00 175.02 173.71 1by7 s MET 235 N -2.91 1.77 0.09 2.03 1.00 -0.16 -2.01 119.30 119.10 1by7 s MET 235 Ca 0.38 -1.01 0.07 0.00 0.00 0.00 0.00 55.69 55.13 1by7 s MET 235 Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 34.83 32.81 1by7 s MET 235 CO 0.27 0.49 -0.19 -0.47 0.00 0.00 0.00 175.02 175.13 1by7 s TYR 236 N -0.74 1.61 -0.22 -0.03 5.04 0.15 -2.28 117.35 120.88 1by7 s TYR 236 Ca 0.10 -0.42 -0.17 0.00 -2.44 0.00 0.00 57.07 54.14 1by7 s TYR 236 Cb -0.10 -0.90 0.06 0.00 0.35 0.00 0.00 41.96 41.38 1by7 s TYR 236 CO 0.01 0.15 0.56 -1.17 -1.34 0.00 0.00 175.55 173.76 1by7 s LEU 237 N -1.76 -0.31 -0.19 6.97 2.96 -0.55 0.30 118.68 126.10 1by7 s LEU 237 Ca 0.04 1.16 -0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1by7 s LEU 237 Cb -0.10 1.90 0.01 0.00 0.50 0.00 0.00 46.19 48.51 1by7 s LEU 237 CO 0.03 -0.20 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.09 1by7 s ARG 238 N 0.82 3.08 0.06 1.98 3.52 -1.26 0.77 118.95 127.91 1by7 s ARG 238 Ca -0.04 -0.79 -0.26 0.00 -0.13 0.00 0.00 55.73 54.51 1by7 s ARG 238 Cb -0.05 -2.66 0.08 0.00 -1.56 0.00 0.00 34.95 30.76 1by7 s ARG 238 CO -0.06 -0.20 0.73 -2.00 -0.81 0.00 0.00 175.30 172.96 1by7 s GLU 239 N 1.32 1.06 -0.07 5.12 2.56 -0.83 -4.97 118.70 122.89 1by7 s GLU 239 Ca 0.05 -0.31 -0.30 0.00 0.00 0.00 0.00 54.97 54.41 1by7 s GLU 239 Cb -0.13 0.49 -0.02 0.00 2.00 0.00 0.00 34.13 36.47 1by7 s GLU 239 CO -0.11 -0.45 1.02 0.15 -0.56 0.00 0.00 175.26 175.32 1by7 s LYS 240 N -3.16 4.46 0.04 4.30 1.02 -1.26 -0.97 119.74 124.16 1by7 s LYS 240 Ca 0.01 1.43 -0.13 0.00 0.02 0.00 0.00 55.97 57.31 1by7 s LYS 240 Cb -0.01 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1by7 s LYS 240 CO -0.09 -0.25 0.27 -0.51 -0.92 0.00 0.00 175.35 173.86 1by7 s LEU 241 N 1.71 1.02 0.08 3.17 1.43 0.48 -4.88 118.68 121.69 1by7 s LEU 241 Ca 0.50 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 1by7 s LEU 241 Cb -0.20 1.23 -0.05 0.00 0.03 0.00 0.00 46.19 47.20 1by7 s LEU 241 CO 0.22 -0.58 1.00 0.20 0.23 0.00 0.00 176.35 177.41 1by7 s ASN 242 N -2.01 7.40 0.00 2.29 0.02 -1.26 -0.84 114.94 120.54 1by7 s ASN 242 Ca -0.06 1.80 -0.09 0.00 -1.02 0.00 0.00 52.86 53.50 1by7 s ASN 242 Cb -0.01 -2.58 0.01 0.00 0.02 0.00 0.00 41.25 38.68 1by7 s ASN 242 CO -0.03 -0.18 0.18 -0.51 0.02 0.00 0.00 177.10 176.58 1by7 s ILE 243 N 0.38 0.08 0.21 0.60 2.07 -0.32 -2.11 121.20 122.11 1by7 s ILE 243 Ca 0.50 -0.68 -0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1by7 s ILE 243 Cb -0.24 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 1by7 s ILE 243 CO 0.30 -0.37 0.22 -0.83 -1.91 0.00 0.00 174.94 172.34 1by7 s GLY 244 N -1.47 1.17 -0.06 1.50 0.00 0.18 -1.71 107.32 106.94 1by7 s GLY 244 Ca -0.13 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.13 1by7 s GLY 244 CO 0.01 -1.19 -0.05 -0.47 0.00 0.00 0.00 173.10 171.41 1by7 s TYR 245 N -4.11 0.88 -0.58 1.90 5.04 -1.26 -1.47 117.35 117.74 1by7 s TYR 245 Ca 0.34 -0.28 -0.17 0.00 -2.44 0.00 0.00 57.07 54.52 1by7 s TYR 245 Cb 0.05 -0.78 0.13 0.00 0.35 0.00 0.00 41.96 41.71 1by7 s TYR 245 CO 0.10 -0.25 0.58 0.42 -1.34 0.00 0.00 175.55 175.06 1by7 s ILE 246 N 1.14 5.15 0.15 3.14 1.01 -0.04 -4.97 121.20 126.77 1by7 s ILE 246 Ca -0.07 -1.47 -0.22 0.00 0.00 0.00 0.00 60.65 58.88 1by7 s ILE 246 Cb -0.14 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 37.96 1by7 s ILE 246 CO -0.01 -0.96 1.64 -0.08 0.00 0.00 0.00 174.94 175.53 1by7 h GLU 247 N 8.86 -0.22 -0.29 2.79 4.81 -1.98 -0.27 114.58 128.28 1by7 h GLU 247 Ca -0.25 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1by7 h GLU 247 Cb 1.09 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1by7 h GLU 247 CO 1.03 -0.15 -0.07 0.38 -0.73 0.00 0.00 179.01 179.47 1by7 h ASP 248 N -0.23 0.44 -0.22 1.04 2.03 -1.98 -3.19 116.42 114.32 1by7 h ASP 248 Ca 0.13 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1by7 h ASP 248 Cb 0.43 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1by7 h ASP 248 CO -0.35 0.56 0.00 0.18 -1.03 0.00 0.00 179.24 178.60 1by7 n LEU 249 N -4.25 3.06 -3.59 0.15 4.77 -1.05 -5.01 117.00 111.07 1by7 n LEU 249 Ca 0.01 -1.30 -0.26 0.00 -0.03 0.00 0.00 56.01 54.42 1by7 n LEU 249 Cb 0.28 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1by7 n LEU 249 CO 0.39 0.61 -0.04 0.29 -1.33 0.00 0.00 177.39 177.32 1by7 n LYS 250 N 1.26 -1.32 -3.85 3.23 5.02 -0.14 -4.73 118.16 117.63 1by7 n LYS 250 Ca 0.15 0.62 -0.11 0.00 -2.02 0.00 0.00 58.31 56.96 1by7 n LYS 250 Cb 0.54 -4.24 -0.09 0.00 -0.02 0.00 0.00 35.03 31.23 1by7 n LYS 250 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1by7 s ALA 251 N -3.36 -0.37 0.10 7.82 0.00 -1.16 0.16 121.76 124.95 1by7 s ALA 251 Ca 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 1by7 s ALA 251 Cb -0.13 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1by7 s ALA 251 CO 0.84 -0.32 0.29 -0.65 0.00 0.00 0.00 175.76 175.93 1by7 s GLN 252 N -2.23 3.53 -0.05 0.00 -0.21 -0.22 -0.86 119.66 119.62 1by7 s GLN 252 Ca -0.08 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.08 1by7 s GLN 252 Cb -0.03 -2.95 -0.00 0.00 1.00 0.00 0.00 33.01 31.03 1by7 s GLN 252 CO -0.02 0.54 -0.17 -1.50 -2.12 0.00 0.00 175.29 172.02 1by7 s ILE 253 N -1.57 1.46 0.01 1.08 2.07 -0.54 -0.99 121.20 122.72 1by7 s ILE 253 Ca 0.38 -0.72 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 1by7 s ILE 253 Cb -0.13 -1.27 -0.01 0.00 0.13 0.00 0.00 42.46 41.19 1by7 s ILE 253 CO 0.26 0.42 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.42 1by7 s LEU 254 N 0.15 2.11 -0.21 8.50 2.96 -0.30 -0.64 118.68 131.24 1by7 s LEU 254 Ca -0.07 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 1by7 s LEU 254 Cb -0.13 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 1by7 s LEU 254 CO 0.03 -0.02 0.03 -0.70 -1.32 0.00 0.00 176.35 174.37 1by7 s GLU 255 N -0.70 3.70 -0.39 1.98 2.12 -0.90 -0.83 118.70 123.68 1by7 s GLU 255 Ca -0.02 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 1by7 s GLU 255 Cb -0.05 -3.18 0.07 0.00 0.26 0.00 0.00 34.13 31.24 1by7 s GLU 255 CO 0.00 0.01 0.20 -0.51 -0.54 0.00 0.00 175.26 174.42 1by7 s LEU 256 N 1.04 4.91 0.35 2.70 1.43 -0.26 -4.26 118.68 124.58 1by7 s LEU 256 Ca 0.03 -1.52 -0.25 0.00 -1.03 0.00 0.00 54.13 51.36 1by7 s LEU 256 Cb -0.14 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.07 1by7 s LEU 256 CO 0.02 -0.48 0.98 -2.16 0.23 0.00 0.00 176.35 174.95 1by7 s PRO 257 N 1.35 4.44 0.35 1.29 0.04 -1.26 -0.73 135.00 140.47 1by7 s PRO 257 Ca 0.02 1.39 0.07 0.00 0.04 0.00 0.00 61.00 62.53 1by7 s PRO 257 Cb -0.22 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 1by7 s PRO 257 CO 0.01 0.13 0.39 0.71 0.04 0.00 0.00 177.00 178.28 1by7 s TYR 258 N -1.64 2.95 0.00 0.56 2.02 0.12 -1.32 117.35 120.04 1by7 s TYR 258 Ca 0.53 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1by7 s TYR 258 Cb -0.20 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.41 1by7 s TYR 258 CO 0.25 0.03 0.13 0.00 -1.57 0.00 0.00 175.55 174.39 1by7 n ALA 259 N -1.53 0.00 0.00 3.71 0.00 -0.73 -3.60 120.51 118.36 1by7 n ALA 259 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1by7 n ALA 259 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1by7 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1by7 n GLY 260 N -0.23 0.25 2.28 0.00 0.00 -1.26 -4.41 105.19 101.81 1by7 n GLY 260 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1by7 n GLY 260 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1by7 n ASP 261 N 1.45 -3.49 -4.16 1.61 8.00 -1.24 -4.92 116.55 113.80 1by7 n ASP 261 Ca 0.00 -0.13 -0.32 0.00 0.71 0.00 0.00 54.79 55.04 1by7 n ASP 261 Cb 0.00 -2.36 -0.16 0.00 -0.02 0.00 0.00 41.12 38.57 1by7 n ASP 261 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1by7 s VAL 262 N -2.83 2.04 0.15 2.53 1.01 -1.25 -0.99 120.40 121.05 1by7 s VAL 262 Ca 0.14 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1by7 s VAL 262 Cb -0.06 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1by7 s VAL 262 CO 0.17 0.54 -0.18 -0.44 0.00 0.00 0.00 175.10 175.20 1by7 s SER 263 N 0.93 2.58 -0.25 3.32 0.01 0.02 -0.71 113.70 119.60 1by7 s SER 263 Ca -0.04 -0.83 -0.13 0.00 1.31 0.00 0.00 55.95 56.26 1by7 s SER 263 Cb -0.15 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1by7 s SER 263 CO -0.04 -0.03 0.28 -0.32 0.41 0.00 0.00 173.24 173.53 1by7 s MET 264 N -2.65 4.04 -0.17 12.44 -2.45 0.09 -0.58 119.30 130.01 1by7 s MET 264 Ca 0.14 -0.09 -0.08 0.00 -1.25 0.00 0.00 55.69 54.40 1by7 s MET 264 Cb -0.06 -3.61 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 1by7 s MET 264 CO 0.06 -0.13 0.10 -0.06 1.05 0.00 0.00 175.02 176.04 1by7 s PHE 265 N 1.61 3.38 -0.12 4.11 0.40 0.40 -1.11 117.98 126.66 1by7 s PHE 265 Ca 0.12 0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1by7 s PHE 265 Cb -0.15 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1by7 s PHE 265 CO 0.08 0.35 -0.22 -0.51 0.70 0.00 0.00 175.22 175.63 1by7 s LEU 266 N -0.02 2.04 -0.26 -0.37 1.02 -0.01 -0.18 118.68 120.89 1by7 s LEU 266 Ca 0.08 -0.55 -0.03 0.00 0.02 0.00 0.00 54.13 53.64 1by7 s LEU 266 Cb -0.12 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.75 1by7 s LEU 266 CO 0.00 0.10 -0.01 -0.76 0.02 0.00 0.00 176.35 175.70 1by7 s LEU 267 N 0.63 3.41 -0.25 1.79 1.02 0.17 -1.15 118.68 124.30 1by7 s LEU 267 Ca -0.12 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.22 1by7 s LEU 267 Cb -0.16 -1.74 0.07 0.00 0.02 0.00 0.00 46.19 44.38 1by7 s LEU 267 CO 0.03 -0.15 -0.00 -0.22 0.02 0.00 0.00 176.35 176.03 1by7 s LEU 268 N 1.39 2.48 0.39 1.79 2.96 -0.17 -2.02 118.68 125.50 1by7 s LEU 268 Ca 0.01 -1.28 -0.25 0.00 -0.22 0.00 0.00 54.13 52.40 1by7 s LEU 268 Cb -0.17 -1.07 -0.12 0.00 0.50 0.00 0.00 46.19 45.33 1by7 s LEU 268 CO -0.02 -0.29 0.89 -2.65 -1.32 0.00 0.00 176.35 172.96 1by7 n PRO 269 N 4.73 1.13 -0.04 0.98 -0.02 -1.26 -1.05 135.00 139.46 1by7 n PRO 269 Ca -0.08 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.76 1by7 n PRO 269 Cb 0.44 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 1by7 n PRO 269 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1by7 n ASP 270 N 0.85 0.97 -4.78 2.55 2.03 0.12 -4.79 116.55 113.50 1by7 n ASP 270 Ca 0.10 0.16 -0.38 0.00 0.52 0.00 0.00 54.79 55.19 1by7 n ASP 270 Cb 0.37 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.13 1by7 n ASP 270 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1by7 s GLU 271 N -1.95 4.52 -0.39 -0.67 -1.05 -0.95 -5.01 118.70 113.20 1by7 s GLU 271 Ca -0.14 1.14 -0.11 0.00 -0.15 0.00 0.00 54.97 55.71 1by7 s GLU 271 Cb 0.02 -3.11 0.04 0.00 -0.44 0.00 0.00 34.13 30.64 1by7 s GLU 271 CO 0.20 0.49 0.23 0.42 0.95 0.00 0.00 175.26 177.55 1by7 s ILE 272 N -1.30 4.59 -0.80 1.83 -1.09 -1.26 -4.94 121.20 118.23 1by7 s ILE 272 Ca 0.40 -0.96 0.11 0.00 -2.23 0.00 0.00 60.65 57.97 1by7 s ILE 272 Cb -0.21 -3.62 0.32 0.00 -1.58 0.00 0.00 42.46 37.38 1by7 s ILE 272 CO 0.25 -0.31 1.27 0.00 -1.23 0.00 0.00 174.94 174.92 1by7 n ALA 273 N 5.01 2.27 -3.15 9.38 0.00 -1.26 -4.95 120.51 127.81 1by7 n ALA 273 Ca -0.11 -1.29 -0.12 0.00 0.00 0.00 0.00 53.44 51.92 1by7 n ALA 273 Cb 0.45 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1by7 n ALA 273 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1by7 s ASP 274 N -1.12 -0.07 -0.00 0.00 1.47 -1.26 -5.02 116.67 110.66 1by7 s ASP 274 Ca 0.25 -0.04 0.07 0.00 1.18 0.00 0.00 52.55 54.01 1by7 s ASP 274 Cb 0.14 0.27 0.21 0.00 -0.34 0.00 0.00 42.92 43.20 1by7 s ASP 274 CO 0.14 -0.36 1.17 1.33 0.68 0.00 0.00 175.17 178.14 1by7 n VAL 275 N 1.57 0.32 0.00 2.11 0.24 -1.26 -4.10 118.33 117.21 1by7 n VAL 275 Ca -0.21 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1by7 n VAL 275 Cb 0.56 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1by7 n VAL 275 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1by7 n SER 276 N 0.19 0.00 0.24 -1.34 2.88 -1.26 -1.33 113.62 113.00 1by7 n SER 276 Ca 0.08 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.75 1by7 n SER 276 Cb 0.20 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.08 1by7 n SER 276 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1by7 h THR 277 N 0.00 0.14 0.00 2.46 1.35 -1.84 -3.36 112.91 111.66 1by7 h THR 277 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1by7 h THR 277 Cb 0.00 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1by7 h THR 277 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1by7 n GLY 278 N 0.52 0.49 0.81 5.82 0.00 -1.26 -4.07 105.19 107.50 1by7 n GLY 278 Ca 0.02 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1by7 n GLY 278 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1by7 n LEU 279 N 0.00 2.69 -0.07 0.99 4.77 -1.26 -4.57 117.00 119.55 1by7 n LEU 279 Ca 0.00 -0.99 -0.07 0.00 -0.03 0.00 0.00 56.01 54.92 1by7 n LEU 279 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1by7 n LEU 279 CO 0.00 0.46 0.80 -0.33 -1.33 0.00 0.00 177.39 176.99 1by7 h GLU 280 N 3.99 -0.03 -0.24 3.23 5.08 -1.96 0.15 114.58 124.79 1by7 h GLU 280 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1by7 h GLU 280 Cb 0.85 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1by7 h GLU 280 CO 0.00 -0.02 -0.02 1.25 -1.00 0.00 0.00 179.01 179.22 1by7 h LEU 281 N -0.04 0.44 -0.71 1.33 5.85 -1.96 -1.55 115.31 118.67 1by7 h LEU 281 Ca 0.13 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1by7 h LEU 281 Cb 0.24 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1by7 h LEU 281 CO -0.30 0.66 0.41 -0.07 -0.34 0.00 0.00 178.44 178.80 1by7 h LEU 282 N 0.20 0.62 -1.08 2.25 3.38 -1.78 -0.34 115.31 118.56 1by7 h LEU 282 Ca 0.07 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1by7 h LEU 282 Cb 0.45 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1by7 h LEU 282 CO 0.02 0.40 -0.32 -0.33 0.09 0.00 0.00 178.44 178.29 1by7 h GLU 283 N 0.75 0.24 0.00 1.13 5.08 -0.92 -0.09 114.58 120.77 1by7 h GLU 283 Ca 0.31 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1by7 h GLU 283 Cb 0.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1by7 h GLU 283 CO -0.18 0.55 -0.36 0.66 -1.00 0.00 0.00 179.01 178.68 1by7 h SER 284 N 0.21 0.00 0.24 1.42 4.64 -0.55 -3.33 113.55 116.18 1by7 h SER 284 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1by7 h SER 284 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1by7 h SER 284 CO 0.05 0.33 -1.32 -0.62 -0.87 0.00 0.00 176.83 174.39 1by7 n GLU 285 N -3.17 0.36 -2.09 4.77 -0.58 -0.21 -4.96 120.64 114.77 1by7 n GLU 285 Ca 0.02 -0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.30 1by7 n GLU 285 Cb 0.67 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.95 1by7 n GLU 285 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1by7 s ILE 286 N -3.26 2.80 0.15 -3.67 2.07 -0.07 -4.95 121.20 114.27 1by7 s ILE 286 Ca 0.01 0.70 -0.04 0.00 -1.41 0.00 0.00 60.65 59.91 1by7 s ILE 286 Cb 0.14 -3.45 -0.03 0.00 0.13 0.00 0.00 42.46 39.26 1by7 s ILE 286 CO 0.85 0.13 0.15 0.42 -1.91 0.00 0.00 174.94 174.57 1by7 s THR 287 N -0.32 0.08 0.13 4.00 -4.23 -1.26 -5.02 115.64 109.03 1by7 s THR 287 Ca 0.56 -1.73 -0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1by7 s THR 287 Cb -0.40 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1by7 s THR 287 CO 0.45 -0.36 1.64 0.22 -0.54 0.00 0.00 174.62 176.02 1by7 h TYR 288 N 2.72 -0.64 -0.81 3.99 3.20 -1.94 0.10 116.97 123.59 1by7 h TYR 288 Ca -0.34 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 1by7 h TYR 288 Cb 1.21 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 1by7 h TYR 288 CO 0.41 -0.33 0.45 -0.44 -1.64 0.00 0.00 178.16 176.62 1by7 h ASP 289 N -0.33 1.01 -0.07 -2.11 3.32 -1.99 -1.19 116.42 115.05 1by7 h ASP 289 Ca 0.09 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1by7 h ASP 289 Cb 0.46 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1by7 h ASP 289 CO -0.27 0.81 -0.03 0.11 -1.72 0.00 0.00 179.24 178.13 1by7 h LYS 290 N 1.13 0.15 -0.47 3.56 1.57 -1.89 -2.35 116.57 118.26 1by7 h LYS 290 Ca 0.29 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1by7 h LYS 290 Cb 0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1by7 h LYS 290 CO -0.05 0.52 0.28 1.25 -0.57 0.00 0.00 179.45 180.88 1by7 h LEU 291 N -0.23 0.58 -0.59 2.94 5.85 -0.91 0.13 115.31 123.08 1by7 h LEU 291 Ca 0.02 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.76 1by7 h LEU 291 Cb 0.48 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1by7 h LEU 291 CO 0.01 0.48 0.19 -1.13 -0.34 0.00 0.00 178.44 177.64 1by7 h ASN 292 N 0.63 0.14 -0.35 1.25 -0.73 -1.17 -1.00 115.58 114.35 1by7 h ASN 292 Ca 0.17 0.09 -0.15 0.00 1.87 0.00 0.00 56.30 58.28 1by7 h ASN 292 Cb 0.01 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1by7 h ASN 292 CO -0.03 0.09 -0.36 0.50 -0.37 0.00 0.00 177.43 177.26 1by7 h LYS 293 N 0.35 0.87 -0.17 6.67 3.64 -0.99 -1.96 116.57 124.97 1by7 h LYS 293 Ca 0.30 -0.46 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1by7 h LYS 293 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1by7 h LYS 293 CO -0.33 1.10 -0.06 -1.49 -2.27 0.00 0.00 179.45 176.40 1by7 h TRP 294 N 0.67 0.26 -0.06 1.91 6.55 -0.30 -1.86 115.95 123.12 1by7 h TRP 294 Ca 0.06 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1by7 h TRP 294 Cb 0.95 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.17 1by7 h TRP 294 CO 0.07 0.33 0.00 0.25 -1.05 0.00 0.00 178.44 178.04 1by7 n THR 295 N -4.33 0.05 -2.15 1.49 -2.24 -0.42 -4.49 114.28 102.19 1by7 n THR 295 Ca -0.00 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 1by7 n THR 295 Cb 0.22 0.89 0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1by7 n THR 295 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1by7 s SER 296 N -1.93 5.55 0.52 3.42 1.04 -0.70 -4.81 113.70 116.78 1by7 s SER 296 Ca 0.34 2.30 0.25 0.00 0.48 0.00 0.00 55.95 59.32 1by7 s SER 296 Cb 0.20 -2.59 1.42 0.00 0.10 0.00 0.00 66.02 65.15 1by7 s SER 296 CO 0.31 -1.34 2.08 0.50 0.98 0.00 0.00 173.24 175.77 1by7 h LYS 297 N 1.19 0.00 0.00 4.02 3.64 -1.89 0.32 116.57 123.85 1by7 h LYS 297 Ca -0.50 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 1by7 h LYS 297 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1by7 h LYS 297 CO 0.57 0.12 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.05 1by7 h ASP 298 N 0.00 0.00 0.00 4.20 3.32 -1.93 -3.10 116.42 118.91 1by7 h ASP 298 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1by7 h ASP 298 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1by7 h ASP 298 CO 0.01 0.38 -1.19 0.29 -1.72 0.00 0.00 179.24 177.01 1by7 n LYS 299 N -3.63 0.54 -3.94 3.56 4.76 -0.04 -4.81 118.16 114.61 1by7 n LYS 299 Ca -0.01 -0.05 -0.31 0.00 -2.87 0.00 0.00 58.31 55.08 1by7 n LYS 299 Cb 0.48 -1.44 -0.15 0.00 -1.84 0.00 0.00 35.03 32.08 1by7 n LYS 299 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1by7 s MET 300 N -3.00 1.30 0.12 1.97 -1.94 -0.35 -4.32 119.30 113.07 1by7 s MET 300 Ca 0.03 -1.58 0.04 0.00 -1.71 0.00 0.00 55.69 52.48 1by7 s MET 300 Cb 0.14 -2.82 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 1by7 s MET 300 CO 0.82 -0.92 0.08 0.00 -0.01 0.00 0.00 175.02 174.98 1by7 s ALA 301 N 1.14 3.49 0.28 3.03 0.00 -0.69 -4.64 121.76 124.38 1by7 s ALA 301 Ca 0.09 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 1by7 s ALA 301 Cb -0.19 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.50 1by7 s ALA 301 CO -0.13 0.64 1.27 -2.00 0.00 0.00 0.00 175.76 175.54 1by7 s GLU 302 N -2.66 4.42 0.02 0.00 2.12 -1.26 -1.17 118.70 120.17 1by7 s GLU 302 Ca 0.29 2.10 -0.28 0.00 0.36 0.00 0.00 54.97 57.44 1by7 s GLU 302 Cb -0.11 -3.13 0.07 0.00 0.26 0.00 0.00 34.13 31.22 1by7 s GLU 302 CO 0.22 -0.13 0.66 0.34 -0.54 0.00 0.00 175.26 175.80 1by7 s ASP 303 N -0.32 -0.62 -0.47 -1.70 -1.08 -0.02 -4.92 116.67 107.53 1by7 s ASP 303 Ca 0.50 0.45 -0.28 0.00 -0.52 0.00 0.00 52.55 52.70 1by7 s ASP 303 Cb -0.37 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 41.65 1by7 s ASP 303 CO 0.46 -0.74 1.41 -0.70 0.52 0.00 0.00 175.17 176.13 1by7 s GLU 304 N -2.14 3.46 0.15 4.34 2.12 -1.26 -0.39 118.70 124.98 1by7 s GLU 304 Ca -0.06 0.74 0.10 0.00 0.36 0.00 0.00 54.97 56.11 1by7 s GLU 304 Cb -0.00 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 1by7 s GLU 304 CO 0.01 -1.72 -0.22 0.08 -0.54 0.00 0.00 175.26 172.87 1by7 s VAL 305 N 5.70 2.54 -0.21 3.70 1.01 -0.15 -3.86 120.40 129.14 1by7 s VAL 305 Ca 0.58 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 1by7 s VAL 305 Cb -0.12 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1by7 s VAL 305 CO 0.30 0.02 0.06 -1.61 0.00 0.00 0.00 175.10 173.87 1by7 s GLU 306 N -2.31 3.81 -0.14 2.72 2.02 -0.24 -1.96 118.70 122.60 1by7 s GLU 306 Ca 0.18 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1by7 s GLU 306 Cb -0.10 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1by7 s GLU 306 CO 0.09 0.07 -0.12 0.08 0.02 0.00 0.00 175.26 175.41 1by7 s VAL 307 N 0.90 3.13 -0.18 2.63 1.01 0.23 -1.37 120.40 126.76 1by7 s VAL 307 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1by7 s VAL 307 Cb -0.14 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.94 1by7 s VAL 307 CO 0.03 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 175.17 1by7 s TYR 308 N 0.41 2.56 0.02 5.22 1.51 0.26 -1.48 117.35 125.85 1by7 s TYR 308 Ca -0.09 -1.54 0.01 0.00 -1.01 0.00 0.00 57.07 54.43 1by7 s TYR 308 Cb -0.16 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1by7 s TYR 308 CO 0.05 -0.76 -0.05 0.96 -1.11 0.00 0.00 175.55 174.64 1by7 s ILE 309 N 1.36 0.34 0.62 2.71 -4.36 -0.97 0.65 121.20 121.56 1by7 s ILE 309 Ca 0.03 -0.76 -0.16 0.00 -0.26 0.00 0.00 60.65 59.50 1by7 s ILE 309 Cb -0.14 -0.40 -0.02 0.00 1.25 0.00 0.00 42.46 43.15 1by7 s ILE 309 CO -0.11 -0.28 1.11 -2.16 0.24 0.00 0.00 174.94 173.74 1by7 s PRO 310 N -1.12 2.99 -0.01 0.37 0.04 -1.26 -0.99 135.00 135.03 1by7 s PRO 310 Ca -0.08 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 1by7 s PRO 310 Cb -0.07 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1by7 s PRO 310 CO -0.00 -1.11 1.01 -1.14 0.04 0.00 0.00 177.00 175.79 1by7 s GLN 311 N -3.87 4.53 0.19 4.56 0.74 -0.82 -4.82 119.66 120.18 1by7 s GLN 311 Ca 0.68 1.45 -0.22 0.00 0.05 0.00 0.00 55.36 57.33 1by7 s GLN 311 Cb -0.21 -3.46 0.05 0.00 1.10 0.00 0.00 33.01 30.49 1by7 s GLN 311 CO 0.37 -0.10 0.62 -0.59 -0.55 0.00 0.00 175.29 175.04 1by7 s PHE 312 N 1.13 -0.41 -0.04 1.67 -0.71 -0.29 -4.73 117.98 114.60 1by7 s PHE 312 Ca 0.52 0.12 0.01 0.00 -1.04 0.00 0.00 56.93 56.54 1by7 s PHE 312 Cb -0.22 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1by7 s PHE 312 CO 0.27 -0.95 -0.04 0.15 -1.34 0.00 0.00 175.22 173.31 1by7 s LYS 313 N -3.80 0.77 0.04 1.99 1.02 -1.26 0.20 119.74 118.70 1by7 s LYS 313 Ca 0.04 -0.08 0.08 0.00 0.02 0.00 0.00 55.97 56.03 1by7 s LYS 313 Cb -0.02 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 1by7 s LYS 313 CO -0.07 -0.10 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.52 1by7 s LEU 314 N 0.97 2.17 -0.18 3.17 1.43 0.11 -4.97 118.68 121.37 1by7 s LEU 314 Ca -0.10 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1by7 s LEU 314 Cb -0.14 -1.12 0.06 0.00 0.03 0.00 0.00 46.19 45.02 1by7 s LEU 314 CO -0.00 0.21 0.08 -0.70 0.23 0.00 0.00 176.35 176.16 1by7 s GLU 315 N -1.21 0.24 0.03 1.70 2.12 -1.26 -0.95 118.70 119.37 1by7 s GLU 315 Ca 0.09 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.30 1by7 s GLU 315 Cb -0.09 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1by7 s GLU 315 CO 0.02 -0.68 -0.23 -1.21 -0.54 0.00 0.00 175.26 172.62 1by7 s GLU 316 N 2.05 1.67 -0.03 4.30 0.41 -0.70 -5.00 118.70 121.40 1by7 s GLU 316 Ca 0.01 -0.97 0.07 0.00 -0.41 0.00 0.00 54.97 53.68 1by7 s GLU 316 Cb -0.16 -1.76 -0.02 0.00 -1.78 0.00 0.00 34.13 30.41 1by7 s GLU 316 CO -0.10 0.46 -0.24 -1.01 -0.49 0.00 0.00 175.26 173.89 1by7 s HIS 317 N -0.72 2.17 0.19 1.61 3.76 -1.26 -1.96 115.29 119.07 1by7 s HIS 317 Ca 0.09 -0.49 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1by7 s HIS 317 Cb -0.09 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1by7 s HIS 317 CO 0.01 -0.09 -0.14 0.71 -0.85 0.00 0.00 174.74 174.38 1by7 s TYR 318 N -0.41 1.65 -0.32 1.40 2.02 0.04 -5.01 117.35 116.72 1by7 s TYR 318 Ca 0.05 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 1by7 s TYR 318 Cb -0.11 -0.78 0.10 0.00 -0.40 0.00 0.00 41.96 40.77 1by7 s TYR 318 CO 0.00 0.31 0.06 -1.21 -1.57 0.00 0.00 175.55 173.14 1by7 s GLU 319 N -3.54 1.22 0.00 -0.62 2.02 -1.26 -1.60 118.70 114.93 1by7 s GLU 319 Ca 0.20 -1.51 0.22 0.00 0.02 0.00 0.00 54.97 53.90 1by7 s GLU 319 Cb -0.01 -2.71 0.74 0.00 0.10 0.00 0.00 34.13 32.25 1by7 s GLU 319 CO 0.06 -0.93 1.55 1.28 0.02 0.00 0.00 175.26 177.24 1by7 n LEU 320 N 4.50 1.79 -0.05 1.80 4.77 -0.28 -4.41 117.00 125.12 1by7 n LEU 320 Ca 0.00 -0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 55.17 1by7 n LEU 320 Cb 0.42 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1by7 n LEU 320 CO 0.18 0.37 0.84 -0.09 -1.33 0.00 0.00 177.39 177.35 1by7 h ARG 321 N 2.40 0.02 0.00 3.23 2.43 -1.91 1.00 114.38 121.55 1by7 h ARG 321 Ca 0.00 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1by7 h ARG 321 Cb 0.53 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1by7 h ARG 321 CO 0.00 0.01 -0.42 0.66 -1.51 0.00 0.00 179.97 178.72 1by7 h SER 322 N 0.02 0.00 -0.05 -3.80 4.64 -1.98 -0.64 113.55 111.75 1by7 h SER 322 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1by7 h SER 322 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1by7 h SER 322 CO -0.21 0.42 -0.04 0.40 -0.87 0.00 0.00 176.83 176.52 1by7 h ILE 323 N 0.00 1.37 -0.39 0.95 1.08 -1.63 -0.89 117.51 118.01 1by7 h ILE 323 Ca -0.00 -1.17 -0.06 0.00 -0.39 0.00 0.00 64.86 63.23 1by7 h ILE 323 Cb 0.85 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 1by7 h ILE 323 CO 0.05 0.32 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.74 1by7 h LEU 324 N -0.34 0.59 -0.63 1.44 3.38 0.13 -2.05 115.31 117.83 1by7 h LEU 324 Ca 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1by7 h LEU 324 Cb 0.53 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1by7 h LEU 324 CO 0.01 0.68 0.15 0.03 0.09 0.00 0.00 178.44 179.40 1by7 h ARG 325 N 0.59 1.02 0.00 1.13 3.08 -1.05 0.40 114.38 119.55 1by7 h ARG 325 Ca 0.12 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1by7 h ARG 325 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1by7 h ARG 325 CO 0.02 0.92 -0.25 0.66 -1.07 0.00 0.00 179.97 180.24 1by7 h SER 326 N 0.93 0.00 0.71 7.04 4.64 -0.67 0.03 113.55 126.24 1by7 h SER 326 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1by7 h SER 326 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1by7 h SER 326 CO 0.00 0.25 0.00 0.23 -0.87 0.00 0.00 176.83 176.45 1by7 n MET 327 N -3.95 0.13 0.00 4.77 2.81 -0.82 -4.87 117.12 115.18 1by7 n MET 327 Ca -0.02 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1by7 n MET 327 Cb 0.33 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1by7 n MET 327 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1by7 n GLY 328 N 0.15 1.11 3.33 3.03 0.00 -0.00 -4.86 105.19 107.94 1by7 n GLY 328 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1by7 n GLY 328 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1by7 n MET 329 N -0.21 3.58 -0.10 1.61 0.00 0.11 -4.83 117.12 117.28 1by7 n MET 329 Ca 0.00 -4.28 -0.21 0.00 -0.00 0.00 0.00 57.70 53.22 1by7 n MET 329 Cb 0.00 -2.69 -0.11 0.00 0.00 0.00 0.00 33.22 30.43 1by7 n MET 329 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1by7 n GLU 330 N 3.38 0.56 -0.08 2.12 1.02 -1.26 -3.79 120.64 122.58 1by7 n GLU 330 Ca 0.28 0.56 0.07 0.00 -0.02 0.00 0.00 57.16 58.05 1by7 n GLU 330 Cb 0.39 -1.73 0.42 0.00 -0.02 0.00 0.00 31.44 30.50 1by7 n GLU 330 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1by7 h ASP 331 N -1.00 0.52 -0.11 1.62 3.32 -1.91 -2.50 116.42 116.35 1by7 h ASP 331 Ca -0.33 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1by7 h ASP 331 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1by7 h ASP 331 CO -0.20 0.35 0.07 0.00 -1.72 0.00 0.00 179.24 177.74 1by7 h ALA 332 N 1.68 1.92 -0.32 3.45 0.00 -1.87 -1.39 119.26 122.73 1by7 h ALA 332 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1by7 h ALA 332 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1by7 h ALA 332 CO -0.06 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1by7 n PHE 333 N -4.52 0.41 -3.82 0.00 3.72 -0.96 -0.14 117.46 112.15 1by7 n PHE 333 Ca -0.01 -0.20 -0.36 0.00 -0.05 0.00 0.00 57.45 56.82 1by7 n PHE 333 Cb 0.08 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.49 1by7 n PHE 333 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1by7 s ASN 334 N -1.56 5.12 0.39 4.37 3.84 -0.57 -4.82 114.94 121.71 1by7 s ASN 334 Ca 0.37 -1.18 0.21 0.00 0.21 0.00 0.00 52.86 52.47 1by7 s ASN 334 Cb 0.22 -1.80 1.22 0.00 -0.55 0.00 0.00 41.25 40.34 1by7 s ASN 334 CO 0.31 -0.29 1.68 0.50 -2.79 0.00 0.00 177.10 176.51 1by7 h LYS 335 N 8.12 0.25 0.00 0.43 3.64 -1.88 0.16 116.57 127.29 1by7 h LYS 335 Ca -0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1by7 h LYS 335 Cb 1.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1by7 h LYS 335 CO 0.57 0.16 -0.06 0.41 -2.27 0.00 0.00 179.45 178.26 1by7 n GLY 336 N -1.43 -1.54 0.00 5.01 0.00 -1.26 -4.38 105.19 101.59 1by7 n GLY 336 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1by7 n GLY 336 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1by7 n ARG 337 N -1.76 2.51 -1.58 1.61 5.12 -0.47 -5.06 116.66 117.03 1by7 n ARG 337 Ca 0.06 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.58 1by7 n ARG 337 Cb 0.37 -0.79 0.02 0.00 -1.16 0.00 0.00 32.46 30.90 1by7 n ARG 337 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1by7 n ALA 338 N -0.95 -0.08 -3.87 7.54 0.00 0.44 -4.84 120.51 118.75 1by7 n ALA 338 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1by7 n ALA 338 Cb 0.05 -2.04 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 1by7 n ALA 338 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1by7 s ASN 339 N -0.87 4.23 -0.37 0.00 3.84 -1.26 -4.91 114.94 115.60 1by7 s ASN 339 Ca 0.65 -1.72 0.05 0.00 0.21 0.00 0.00 52.86 52.06 1by7 s ASN 339 Cb -0.53 -1.18 0.46 0.00 -0.55 0.00 0.00 41.25 39.45 1by7 s ASN 339 CO 0.55 -0.37 1.41 0.49 -2.79 0.00 0.00 177.10 176.39 1by7 n PHE 340 N 4.62 2.58 0.10 0.43 3.72 -1.26 -0.88 117.46 126.77 1by7 n PHE 340 Ca -0.02 -2.31 0.07 0.00 -0.05 0.00 0.00 57.45 55.14 1by7 n PHE 340 Cb 0.42 -0.60 0.53 0.00 -0.94 0.00 0.00 39.48 38.89 1by7 n PHE 340 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1by7 h SER 341 N 1.97 0.25 -0.47 4.37 0.02 -1.73 0.31 113.55 118.28 1by7 h SER 341 Ca 0.39 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1by7 h SER 341 Cb 1.37 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1by7 h SER 341 CO 0.88 0.18 0.31 1.23 -1.14 0.00 0.00 176.83 178.29 1by7 h GLY 342 N 0.29 0.55 1.38 -3.77 0.00 -1.69 -3.16 103.07 96.67 1by7 h GLY 342 Ca 0.10 -0.18 -0.27 0.00 0.00 0.00 0.00 47.33 46.98 1by7 h GLY 342 CO -0.02 0.15 -1.43 -0.33 0.00 0.00 0.00 176.54 174.91 1by7 h MET 343 N 0.47 0.08 -2.37 4.80 2.86 0.07 -3.42 114.93 117.41 1by7 h MET 343 Ca 0.19 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1by7 h MET 343 Cb 0.19 0.05 -0.23 0.00 0.06 0.00 0.00 31.60 31.67 1by7 h MET 343 CO -0.05 0.86 -0.07 0.45 1.06 0.00 0.00 176.91 179.16 1by7 s SER 344 N -6.58 -0.61 0.24 1.22 0.15 -0.63 0.41 113.70 107.91 1by7 s SER 344 Ca -0.04 1.14 0.23 0.00 0.70 0.00 0.00 55.95 57.98 1by7 s SER 344 Cb 0.08 1.14 0.96 0.00 -1.71 0.00 0.00 66.02 66.49 1by7 s SER 344 CO 0.83 -0.20 1.70 -1.84 1.20 0.00 0.00 173.24 174.93 1by7 n GLU 345 N 2.98 0.19 -2.68 5.44 0.28 -1.26 -4.20 120.64 121.38 1by7 n GLU 345 Ca -0.15 0.41 -0.41 0.00 -0.16 0.00 0.00 57.16 56.85 1by7 n GLU 345 Cb 0.56 -1.85 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 1by7 n GLU 345 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1by7 s ARG 346 N -3.29 4.67 0.23 3.44 3.52 -1.26 -4.96 118.95 121.30 1by7 s ARG 346 Ca 0.05 1.51 0.03 0.00 -0.13 0.00 0.00 55.73 57.19 1by7 s ARG 346 Cb 0.09 -3.36 0.23 0.00 -1.56 0.00 0.00 34.95 30.36 1by7 s ARG 346 CO 0.39 0.18 1.55 -0.97 -0.81 0.00 0.00 175.30 175.64 1by7 h ASN 347 N 5.52 0.32 -0.97 -2.12 -1.24 -1.98 -3.34 115.58 111.77 1by7 h ASN 347 Ca -0.43 -0.18 -0.74 0.00 0.71 0.00 0.00 56.30 55.66 1by7 h ASN 347 Cb 1.21 -0.09 -0.11 0.00 0.73 0.00 0.00 38.32 40.05 1by7 h ASN 347 CO 0.72 0.84 2.34 -0.67 -1.29 0.00 0.00 177.43 179.37 1by7 n ASP 348 N -3.89 4.70 -3.69 1.15 2.03 -1.26 -4.90 116.55 110.70 1by7 n ASP 348 Ca -0.03 -3.00 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1by7 n ASP 348 Cb 0.61 -1.56 -0.13 0.00 -0.72 0.00 0.00 41.12 39.32 1by7 n ASP 348 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1by7 s LEU 349 N 1.00 -0.03 0.22 -2.67 2.96 -1.25 -4.85 118.68 114.06 1by7 s LEU 349 Ca 0.43 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1by7 s LEU 349 Cb 0.10 0.70 -0.03 0.00 0.50 0.00 0.00 46.19 47.45 1by7 s LEU 349 CO -0.02 -0.21 0.19 0.72 -1.32 0.00 0.00 176.35 175.71 1by7 s PHE 350 N 1.98 1.08 -0.26 5.38 -0.71 -1.26 -4.43 117.98 119.75 1by7 s PHE 350 Ca -0.03 -1.30 -0.21 0.00 -1.04 0.00 0.00 56.93 54.35 1by7 s PHE 350 Cb -0.11 -0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 41.23 1by7 s PHE 350 CO -0.08 -0.71 0.67 -1.17 -1.34 0.00 0.00 175.22 172.59 1by7 s LEU 351 N -3.15 4.07 0.02 -1.99 2.96 0.80 -3.43 118.68 117.96 1by7 s LEU 351 Ca 0.37 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 54.95 1by7 s LEU 351 Cb 0.06 -2.92 -0.30 0.00 0.50 0.00 0.00 46.19 43.52 1by7 s LEU 351 CO 0.13 -0.42 0.94 0.28 -1.32 0.00 0.00 176.35 175.96 1by7 h SER 352 N 7.88 0.53 -4.56 3.68 0.02 -0.84 -3.37 113.55 116.90 1by7 h SER 352 Ca -0.26 -0.65 0.17 0.00 -0.84 0.00 0.00 61.79 60.21 1by7 h SER 352 Cb 1.12 -0.17 -0.16 0.00 0.14 0.00 0.00 62.40 63.32 1by7 h SER 352 CO 0.80 1.53 0.62 -0.70 -1.14 0.00 0.00 176.83 177.94 1by7 s GLU 353 N -2.62 0.63 -0.19 3.45 2.56 -1.21 -4.91 118.70 116.42 1by7 s GLU 353 Ca -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.97 54.64 1by7 s GLU 353 Cb 0.06 0.28 0.05 0.00 2.00 0.00 0.00 34.13 36.52 1by7 s GLU 353 CO 0.88 -0.28 -0.06 0.08 -0.56 0.00 0.00 175.26 175.33 1by7 s VAL 354 N -2.85 1.25 -0.23 3.70 1.01 -1.26 -1.83 120.40 120.20 1by7 s VAL 354 Ca 0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1by7 s VAL 354 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1by7 s VAL 354 CO -0.07 0.07 0.40 -0.36 0.00 0.00 0.00 175.10 175.13 1by7 s PHE 355 N 1.56 3.32 -0.12 5.22 0.08 0.36 -1.13 117.98 127.27 1by7 s PHE 355 Ca -0.01 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.60 1by7 s PHE 355 Cb -0.16 -2.55 0.02 0.00 -0.57 0.00 0.00 43.02 39.75 1by7 s PHE 355 CO -0.07 -0.10 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.23 1by7 s HIS 356 N 1.62 1.94 -0.08 0.36 5.65 -0.63 -0.72 115.29 123.44 1by7 s HIS 356 Ca 0.18 -0.95 0.04 0.00 0.25 0.00 0.00 55.06 54.58 1by7 s HIS 356 Cb -0.15 -1.43 -0.00 0.00 -1.18 0.00 0.00 32.58 29.82 1by7 s HIS 356 CO 0.08 -0.51 -0.22 -1.14 -0.65 0.00 0.00 174.74 172.30 1by7 s GLN 357 N 1.15 2.69 -0.00 2.88 0.74 0.80 -0.78 119.66 127.14 1by7 s GLN 357 Ca -0.03 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.61 1by7 s GLN 357 Cb -0.14 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.84 1by7 s GLN 357 CO -0.04 0.21 -0.15 0.00 -0.55 0.00 0.00 175.29 174.76 1by7 s ALA 358 N 0.25 1.22 -0.00 1.58 0.00 -0.83 -0.06 121.76 123.91 1by7 s ALA 358 Ca -0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1by7 s ALA 358 Cb -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1by7 s ALA 358 CO 0.07 0.29 0.00 0.00 0.00 0.00 0.00 175.76 176.12 1by7 s MET 359 N -0.50 0.00 0.02 0.00 0.23 -0.60 -1.72 119.30 116.72 1by7 s MET 359 Ca 0.05 0.01 0.01 0.00 -1.03 0.00 0.00 55.69 54.73 1by7 s MET 359 Cb -0.06 -0.01 -0.01 0.00 -1.53 0.00 0.00 34.83 33.22 1by7 s MET 359 CO -0.00 -0.01 -0.05 0.54 -2.03 0.00 0.00 175.02 173.47 1by7 s VAL 360 N 0.04 0.35 -0.23 5.16 0.11 -0.12 -1.37 120.40 124.33 1by7 s VAL 360 Ca -0.00 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1by7 s VAL 360 Cb -0.00 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1by7 s VAL 360 CO -0.00 -0.20 -0.11 -1.81 -3.33 0.00 0.00 175.10 169.65 1by7 s ASP 361 N -0.89 4.03 -0.26 3.54 1.01 -1.01 0.05 116.67 123.14 1by7 s ASP 361 Ca -0.06 -0.94 -0.02 0.00 0.71 0.00 0.00 52.55 52.24 1by7 s ASP 361 Cb -0.06 -1.59 0.03 0.00 1.01 0.00 0.00 42.92 42.31 1by7 s ASP 361 CO -0.00 -0.11 -0.03 -0.69 0.21 0.00 0.00 175.17 174.55 1by7 s VAL 362 N 1.26 3.06 0.02 -1.27 1.01 0.54 -4.61 120.40 120.41 1by7 s VAL 362 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1by7 s VAL 362 Cb -0.16 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1by7 s VAL 362 CO -0.07 0.15 0.02 -0.46 0.00 0.00 0.00 175.10 174.74 1by7 n ASN 363 N 4.69 0.14 0.07 3.32 0.23 -1.26 -1.14 115.26 121.31 1by7 n ASN 363 Ca -0.16 -1.13 0.12 0.00 -0.53 0.00 0.00 54.58 52.88 1by7 n ASN 363 Cb 0.47 0.09 0.24 0.00 -2.08 0.00 0.00 39.78 38.50 1by7 n ASN 363 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1by7 n GLU 364 N -0.04 0.27 -1.68 -3.83 0.00 -1.26 -4.87 120.64 109.24 1by7 n GLU 364 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 57.16 56.86 1by7 n GLU 364 Cb 0.04 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.73 1by7 n GLU 364 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1by7 n GLU 365 N -2.13 2.82 -2.49 3.44 1.02 -1.26 -1.34 120.64 120.69 1by7 n GLU 365 Ca 0.04 1.03 -0.05 0.00 -0.02 0.00 0.00 57.16 58.15 1by7 n GLU 365 Cb 0.43 -2.94 -0.01 0.00 -0.02 0.00 0.00 31.44 28.90 1by7 n GLU 365 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1by7 n GLY 366 N 4.34 4.00 0.08 0.62 0.00 -1.26 -2.48 105.19 110.50 1by7 n GLY 366 Ca 0.19 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 1by7 n GLY 366 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1by7 n THR 367 N -0.21 1.53 0.00 2.61 -2.24 0.07 -4.75 114.28 111.29 1by7 n THR 367 Ca -0.02 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1by7 n THR 367 Cb 0.12 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1by7 n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1by7 n GLY 385 N 1.55 -0.00 3.77 3.38 0.00 -1.26 -4.57 105.19 108.06 1by7 n GLY 385 Ca -0.17 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1by7 n GLY 385 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1by7 s PRO 386 N -1.86 3.85 -0.14 1.61 0.04 -1.25 -4.84 135.00 132.40 1by7 s PRO 386 Ca 0.00 2.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.53 1by7 s PRO 386 Cb 0.00 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1by7 s PRO 386 CO 0.00 -0.72 -0.08 -0.65 0.04 0.00 0.00 177.00 175.59 1by7 s GLN 387 N -2.32 3.52 -0.35 4.56 -1.52 -1.26 -1.08 119.66 121.22 1by7 s GLN 387 Ca 0.58 -0.59 0.02 0.00 -1.95 0.00 0.00 55.36 53.42 1by7 s GLN 387 Cb -0.45 -2.78 0.10 0.00 -0.22 0.00 0.00 33.01 29.66 1by7 s GLN 387 CO 0.60 0.24 0.09 0.12 -0.25 0.00 0.00 175.29 176.09 1by7 s PHE 388 N 0.32 2.96 -0.37 0.91 2.19 -0.47 -4.96 117.98 118.55 1by7 s PHE 388 Ca -0.07 -2.56 -0.07 0.00 0.33 0.00 0.00 56.93 54.56 1by7 s PHE 388 Cb -0.15 -2.46 0.06 0.00 -1.31 0.00 0.00 43.02 39.16 1by7 s PHE 388 CO 0.04 -0.91 0.16 0.54 1.83 0.00 0.00 175.22 176.89 1by7 s VAL 389 N 1.05 3.86 -1.18 3.12 0.11 -1.26 -0.58 120.40 125.52 1by7 s VAL 389 Ca 0.11 -1.31 -0.06 0.00 -2.93 0.00 0.00 61.98 57.79 1by7 s VAL 389 Cb -0.19 -3.29 0.24 0.00 -1.53 0.00 0.00 36.38 31.61 1by7 s VAL 389 CO -0.13 -0.33 1.69 0.00 -3.33 0.00 0.00 175.10 173.00 1by7 n ALA 390 N 4.82 5.32 -1.12 1.54 0.00 0.21 -4.53 120.51 126.74 1by7 n ALA 390 Ca -0.11 -4.57 0.02 0.00 0.00 0.00 0.00 53.44 48.78 1by7 n ALA 390 Cb 0.44 -2.65 0.26 0.00 0.00 0.00 0.00 19.45 17.50 1by7 n ALA 390 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1by7 n ASP 391 N 2.47 3.74 -3.89 0.00 5.68 -1.26 -4.26 116.55 119.03 1by7 n ASP 391 Ca 0.33 -3.26 -0.08 0.00 -0.50 0.00 0.00 54.79 51.28 1by7 n ASP 391 Cb 0.34 -0.61 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 1by7 n ASP 391 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1by7 s HIS 392 N -2.98 0.02 0.76 2.11 -3.43 -1.26 -0.44 115.29 110.07 1by7 s HIS 392 Ca 0.46 -0.42 -0.15 0.00 -0.80 0.00 0.00 55.06 54.15 1by7 s HIS 392 Cb 0.38 0.47 0.05 0.00 -1.43 0.00 0.00 32.58 32.05 1by7 s HIS 392 CO 0.08 -1.09 1.17 -2.30 -2.00 0.00 0.00 174.74 170.59 1by7 n PRO 393 N -0.41 0.45 -3.88 -0.38 -0.02 -1.26 -4.97 135.00 124.53 1by7 n PRO 393 Ca -0.04 0.22 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1by7 n PRO 393 Cb 0.61 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 1by7 n PRO 393 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1by7 s PHE 394 N -1.90 0.17 0.23 6.00 -0.71 -0.72 -4.54 117.98 116.51 1by7 s PHE 394 Ca 0.75 -0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 55.99 1by7 s PHE 394 Cb -0.32 -0.09 -0.06 0.00 -1.21 0.00 0.00 43.02 41.34 1by7 s PHE 394 CO 0.48 -0.51 0.51 -0.51 -1.34 0.00 0.00 175.22 173.85 1by7 s LEU 395 N -2.77 4.15 0.08 -1.99 1.43 -0.86 -1.90 118.68 116.82 1by7 s LEU 395 Ca 0.04 0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 53.81 1by7 s LEU 395 Cb 0.04 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1by7 s LEU 395 CO -0.10 -0.10 0.17 0.72 0.23 0.00 0.00 176.35 177.27 1by7 s PHE 396 N -1.89 0.18 0.04 0.29 -0.71 -0.23 -0.66 117.98 115.00 1by7 s PHE 396 Ca 0.44 -0.61 -0.04 0.00 -1.04 0.00 0.00 56.93 55.68 1by7 s PHE 396 Cb -0.11 -0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.59 1by7 s PHE 396 CO 0.26 -0.52 0.06 -0.48 -1.34 0.00 0.00 175.22 173.19 1by7 s LEU 397 N -2.82 1.97 -0.21 -1.99 0.05 0.75 -1.31 118.68 115.13 1by7 s LEU 397 Ca 0.04 -0.60 -0.04 0.00 0.05 0.00 0.00 54.13 53.58 1by7 s LEU 397 Cb 0.05 0.47 -0.02 0.00 -2.05 0.00 0.00 46.19 44.64 1by7 s LEU 397 CO -0.10 -0.49 -0.02 -0.63 -0.55 0.00 0.00 176.35 174.55 1by7 s ILE 398 N -2.66 3.66 -0.10 1.48 1.01 -0.73 -0.45 121.20 123.40 1by7 s ILE 398 Ca -0.05 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1by7 s ILE 398 Cb -0.01 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1by7 s ILE 398 CO -0.05 0.42 -0.18 -0.32 0.00 0.00 0.00 174.94 174.81 1by7 s MET 399 N 1.30 3.07 -0.70 2.79 1.75 0.25 -0.03 119.30 127.73 1by7 s MET 399 Ca 0.04 -0.77 -0.25 0.00 -1.25 0.00 0.00 55.69 53.46 1by7 s MET 399 Cb -0.14 -2.45 0.05 0.00 2.84 0.00 0.00 34.83 35.13 1by7 s MET 399 CO -0.00 0.28 1.12 -1.58 -0.65 0.00 0.00 175.02 174.19 1by7 s HIS 400 N 0.14 2.49 0.34 4.11 2.46 -0.07 -0.80 115.29 123.96 1by7 s HIS 400 Ca -0.09 -0.32 0.05 0.00 0.47 0.00 0.00 55.06 55.16 1by7 s HIS 400 Cb -0.15 -4.46 0.62 0.00 -0.13 0.00 0.00 32.58 28.46 1by7 s HIS 400 CO 0.06 -1.86 1.88 0.87 -2.47 0.00 0.00 174.74 173.22 1by7 h LYS 401 N 9.78 0.51 -0.54 2.88 1.79 -1.38 0.25 116.57 129.87 1by7 h LYS 401 Ca -0.28 -0.11 -0.09 0.00 -2.18 0.00 0.00 60.65 58.00 1by7 h LYS 401 Cb 1.06 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1by7 h LYS 401 CO 1.23 0.54 -0.00 0.82 -1.08 0.00 0.00 179.45 180.95 1by7 h ILE 402 N 0.49 1.26 0.00 1.86 1.08 -1.92 -3.02 117.51 117.26 1by7 h ILE 402 Ca 0.11 -1.11 -0.04 0.00 -0.39 0.00 0.00 64.86 63.42 1by7 h ILE 402 Cb 0.32 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1by7 h ILE 402 CO 0.01 0.40 -0.89 0.71 -0.69 0.00 0.00 178.15 177.68 1by7 h THR 403 N 0.82 0.16 -4.36 -0.27 1.35 -1.94 -3.47 112.91 105.20 1by7 h THR 403 Ca 0.15 -1.28 -0.28 0.00 -0.55 0.00 0.00 66.41 64.45 1by7 h THR 403 Cb 0.54 1.75 0.10 0.00 -1.73 0.00 0.00 68.15 68.81 1by7 h THR 403 CO 0.03 0.09 -0.47 -3.20 -0.25 0.00 0.00 175.52 171.72 1by7 n ASN 404 N -2.83 -5.03 -4.72 5.36 5.15 0.84 -4.86 115.26 109.19 1by7 n ASN 404 Ca -0.01 -0.37 -0.35 0.00 -0.60 0.00 0.00 54.58 53.24 1by7 n ASN 404 Cb 0.62 -3.65 -0.08 0.00 -0.53 0.00 0.00 39.78 36.14 1by7 n ASN 404 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1by7 s ILE 406 N 0.50 4.26 -0.02 0.00 1.01 -1.26 -0.89 121.20 124.81 1by7 s ILE 406 Ca 0.08 1.46 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 1by7 s ILE 406 Cb -0.12 -4.20 -0.33 0.00 0.01 0.00 0.00 42.46 37.83 1by7 s ILE 406 CO -0.01 -0.41 0.88 -0.07 0.00 0.00 0.00 174.94 175.33 1by7 h LEU 407 N 10.46 0.67 -8.26 2.97 3.38 -0.81 -3.15 115.31 120.58 1by7 h LEU 407 Ca -0.25 -0.93 -0.17 0.00 0.09 0.00 0.00 57.88 56.63 1by7 h LEU 407 Cb 1.09 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.46 1by7 h LEU 407 CO 1.02 1.63 -0.69 -0.36 0.09 0.00 0.00 178.44 180.13 1by7 s PHE 408 N -2.54 0.61 -0.09 1.13 0.08 -1.11 -3.56 117.98 112.51 1by7 s PHE 408 Ca -0.12 -0.91 -0.09 0.00 0.12 0.00 0.00 56.93 55.92 1by7 s PHE 408 Cb 0.03 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.11 1by7 s PHE 408 CO 0.89 -0.27 0.25 0.12 -0.10 0.00 0.00 175.22 176.11 1by7 s PHE 409 N -3.32 -0.26 0.21 0.36 2.19 -0.05 -1.78 117.98 115.33 1by7 s PHE 409 Ca 0.04 0.61 -0.22 0.00 0.33 0.00 0.00 56.93 57.69 1by7 s PHE 409 Cb 0.04 0.09 0.05 0.00 -1.31 0.00 0.00 43.02 41.88 1by7 s PHE 409 CO -0.07 -0.16 0.69 0.20 1.83 0.00 0.00 175.22 177.71 1by7 s GLY 410 N -0.05 -0.35 -0.15 13.12 0.00 -0.42 -1.89 107.32 117.58 1by7 s GLY 410 Ca -0.02 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.84 1by7 s GLY 410 CO 0.01 0.04 -0.20 -1.60 0.00 0.00 0.00 173.10 171.35 1by7 s ARG 411 N -3.78 2.92 -0.41 2.90 3.52 0.83 -1.07 118.95 123.86 1by7 s ARG 411 Ca 0.06 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.75 1by7 s ARG 411 Cb -0.03 -2.43 0.07 0.00 -1.56 0.00 0.00 34.95 31.00 1by7 s ARG 411 CO -0.03 -0.09 0.25 0.12 -0.81 0.00 0.00 175.30 174.74 1by7 s PHE 412 N 1.02 3.31 0.00 5.12 5.36 -0.80 -1.04 117.98 130.95 1by7 s PHE 412 Ca -0.02 -1.38 0.00 0.00 -0.96 0.00 0.00 56.93 54.57 1by7 s PHE 412 Cb -0.14 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 1by7 s PHE 412 CO -0.06 -0.80 0.00 -1.13 -1.46 0.00 0.00 175.22 171.77 1by7 n SER 413 N 4.95 4.21 -3.56 6.13 3.41 -1.26 -1.76 113.62 125.73 1by7 n SER 413 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 1by7 n SER 413 Cb 0.44 0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 64.85 1by7 n SER 413 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1by7 s SER 414 N -2.25 3.45 0.00 4.04 0.01 -1.26 -4.56 113.70 113.13 1by7 s SER 414 Ca 0.00 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.56 1by7 s SER 414 Cb 0.00 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.76 1by7 s SER 414 CO 0.00 -0.38 0.52 -2.65 0.41 0.00 0.00 173.24 171.14