#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr2 h ASN 7 N 0.00 0.00 -0.38 4.31 2.35 -2.06 -3.06 115.58 116.75 2yr2 h ASN 7 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2yr2 h ASN 7 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2yr2 h ASN 7 CO 0.00 0.10 0.13 0.03 -1.65 0.00 0.00 177.43 176.04 2yr2 h ARG 8 N 0.00 0.58 -0.70 0.81 3.08 -2.06 0.19 114.38 116.28 2yr2 h ARG 8 Ca -0.00 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2yr2 h ARG 8 Cb 0.40 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2yr2 h ARG 8 CO 0.01 0.57 0.26 0.82 -1.07 0.00 0.00 179.97 180.56 2yr2 h ILE 9 N 0.46 1.24 -0.15 2.04 1.08 -1.99 -2.43 117.51 117.77 2yr2 h ILE 9 Ca 0.12 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 2yr2 h ILE 9 Cb 0.22 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2yr2 h ILE 9 CO -0.01 0.32 -0.09 1.56 -0.69 0.00 0.00 178.15 179.24 2yr2 h GLN 10 N 1.02 0.23 -0.15 2.37 4.20 -1.35 -1.40 115.11 120.02 2yr2 h GLN 10 Ca 0.23 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 2yr2 h GLN 10 Cb 0.23 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2yr2 h GLN 10 CO -0.02 0.33 0.01 0.82 -0.67 0.00 0.00 178.83 179.31 2yr2 h ILE 11 N 0.22 1.24 -0.03 2.54 2.04 -0.47 -0.98 117.51 122.07 2yr2 h ILE 11 Ca 0.05 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2yr2 h ILE 11 Cb 0.31 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2yr2 h ILE 11 CO 0.02 0.23 0.01 0.24 0.00 0.00 0.00 178.15 178.65 2yr2 h MET 12 N 0.02 0.04 0.00 2.37 2.86 -1.37 -0.14 114.93 118.71 2yr2 h MET 12 Ca 0.04 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2yr2 h MET 12 Cb 0.35 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2yr2 h MET 12 CO 0.01 0.20 -0.15 0.66 1.06 0.00 0.00 176.91 178.69 2yr2 h SER 13 N -0.12 0.00 0.12 1.22 4.64 -1.29 0.14 113.55 118.25 2yr2 h SER 13 Ca 0.01 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 2yr2 h SER 13 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2yr2 h SER 13 CO -0.00 0.15 -0.86 0.74 -0.87 0.00 0.00 176.83 175.99 2yr2 h THR 14 N 0.00 1.34 -0.34 2.95 2.02 -0.88 -1.22 112.91 116.78 2yr2 h THR 14 Ca -0.00 -2.20 -0.01 0.00 0.77 0.00 0.00 66.41 64.97 2yr2 h THR 14 Cb 0.50 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2yr2 h THR 14 CO 0.02 0.67 0.18 0.40 0.37 0.00 0.00 175.52 177.16 2yr2 h ILE 15 N 0.36 1.15 -0.44 3.11 1.08 0.24 -0.57 117.51 122.44 2yr2 h ILE 15 Ca -0.07 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2yr2 h ILE 15 Cb 1.49 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 2yr2 h ILE 15 CO 0.16 0.15 0.27 0.00 -0.69 0.00 0.00 178.15 178.05 2yr2 h ALA 16 N 1.04 0.55 -0.29 1.87 0.00 -0.68 -1.36 119.26 120.39 2yr2 h ALA 16 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2yr2 h ALA 16 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2yr2 h ALA 16 CO -0.02 -0.03 0.16 0.87 0.00 0.00 0.00 179.25 180.23 2yr2 h LYS 17 N 0.56 0.31 -0.49 0.00 1.57 -0.89 -1.66 116.57 115.97 2yr2 h LYS 17 Ca 0.17 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2yr2 h LYS 17 Cb -0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2yr2 h LYS 17 CO -0.06 0.21 0.33 0.82 -0.57 0.00 0.00 179.45 180.18 2yr2 h ILE 18 N 0.32 1.13 -0.14 1.86 2.04 -0.89 -1.67 117.51 120.16 2yr2 h ILE 18 Ca 0.12 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2yr2 h ILE 18 Cb 0.02 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2yr2 h ILE 18 CO -0.07 0.12 0.04 0.22 0.00 0.00 0.00 178.15 178.46 2yr2 h TYR 19 N 0.67 0.08 -0.65 1.37 3.20 -0.94 0.45 116.97 121.14 2yr2 h TYR 19 Ca 0.18 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2yr2 h TYR 19 Cb -0.08 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2yr2 h TYR 19 CO -0.04 0.04 0.42 0.00 -1.64 0.00 0.00 178.16 176.93 2yr2 h ARG 20 N 0.11 0.80 -0.32 1.82 3.08 -1.11 0.19 114.38 118.96 2yr2 h ARG 20 Ca 0.06 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 2yr2 h ARG 20 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2yr2 h ARG 20 CO -0.07 0.53 -0.39 0.00 -1.07 0.00 0.00 179.97 178.97 2yr2 h ALA 21 N 1.27 0.70 -0.32 0.04 0.00 -1.00 -2.42 119.26 117.53 2yr2 h ALA 21 Ca 0.26 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2yr2 h ALA 21 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2yr2 h ALA 21 CO -0.09 0.66 -0.27 0.52 0.00 0.00 0.00 179.25 180.08 2yr2 h MET 22 N 0.63 0.65 -0.28 0.00 2.86 0.36 -2.21 114.93 116.94 2yr2 h MET 22 Ca 0.05 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 2yr2 h MET 22 Cb 0.95 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2yr2 h MET 22 CO 0.09 0.85 0.02 1.03 1.06 0.00 0.00 176.91 179.96 2yr2 h SER 23 N 0.56 0.46 -0.34 1.22 0.87 -0.53 0.10 113.55 115.90 2yr2 h SER 23 Ca 0.07 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2yr2 h SER 23 Cb 0.75 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2yr2 h SER 23 CO 0.06 0.64 0.18 -0.09 -0.53 0.00 0.00 176.83 177.08 2yr2 h ARG 24 N 0.27 0.48 -0.48 2.24 2.43 -1.38 -0.70 114.38 117.25 2yr2 h ARG 24 Ca 0.08 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2yr2 h ARG 24 Cb 0.39 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2yr2 h ARG 24 CO 0.01 0.42 -0.14 1.49 -1.51 0.00 0.00 179.97 180.24 2yr2 h GLU 25 N 0.42 0.94 -0.62 0.20 4.57 -1.35 -2.56 114.58 116.18 2yr2 h GLU 25 Ca 0.12 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 2yr2 h GLU 25 Cb 0.09 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2yr2 h GLU 25 CO -0.02 1.03 0.18 -0.07 -1.18 0.00 0.00 179.01 178.96 2yr2 h LEU 26 N 0.79 0.89 -1.47 1.64 3.38 -0.66 -0.68 115.31 119.20 2yr2 h LEU 26 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2yr2 h LEU 26 Cb 0.70 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2yr2 h LEU 26 CO 0.05 0.84 0.00 0.78 0.09 0.00 0.00 178.44 180.20 2yr2 h ASN 27 N 0.92 0.32 0.13 -0.43 -0.26 -0.96 0.11 115.58 115.41 2yr2 h ASN 27 Ca 0.20 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 2yr2 h ASN 27 Cb 0.28 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2yr2 h ASN 27 CO -0.01 0.37 -0.06 -0.09 -1.06 0.00 0.00 177.43 176.59 2yr2 h ARG 28 N 0.34 -0.17 -0.46 0.81 2.43 -0.89 -3.10 114.38 113.35 2yr2 h ARG 28 Ca 0.08 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2yr2 h ARG 28 Cb 0.23 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2yr2 h ARG 28 CO 0.01 0.30 -0.06 0.00 -1.51 0.00 0.00 179.97 178.71 2yr2 h ARG 29 N -0.83 0.80 0.00 0.20 3.08 -1.01 -2.08 114.38 114.54 2yr2 h ARG 29 Ca -0.02 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2yr2 h ARG 29 Cb 0.55 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2yr2 h ARG 29 CO 0.03 0.84 0.00 -0.07 -1.07 0.00 0.00 179.97 179.70 2yr2 h LEU 30 N 0.74 0.00 -2.24 3.04 3.38 -0.90 -2.76 115.31 116.57 2yr2 h LEU 30 Ca 0.13 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2yr2 h LEU 30 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2yr2 h LEU 30 CO 0.03 0.00 0.25 1.23 0.09 0.00 0.00 178.44 180.04 2yr2 h GLY 31 N 1.67 0.00 2.00 0.83 0.00 -1.28 -0.06 103.07 106.22 2yr2 h GLY 31 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2yr2 h GLY 31 CO 0.00 0.00 -0.15 0.83 0.00 0.00 0.00 176.54 177.22 2yr2 h GLU 32 N 0.00 0.00 -0.58 4.80 5.08 -1.66 -1.56 114.58 120.66 2yr2 h GLU 32 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2yr2 h GLU 32 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2yr2 h GLU 32 CO -0.00 0.15 0.00 1.28 -1.00 0.00 0.00 179.01 179.44 2yr2 n LEU 33 N -3.73 4.26 -3.61 1.33 4.77 -0.06 -4.93 117.00 115.04 2yr2 n LEU 33 Ca -0.02 -2.35 -0.24 0.00 -0.03 0.00 0.00 56.01 53.37 2yr2 n LEU 33 Cb 0.26 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2yr2 n LEU 33 CO 0.32 0.82 0.23 0.59 -1.33 0.00 0.00 177.39 178.01 2yr2 n ASN 34 N 0.97 -5.88 -4.10 -1.43 5.03 -0.59 -5.00 115.26 104.27 2yr2 n ASN 34 Ca 0.23 -0.57 -0.23 0.00 0.87 0.00 0.00 54.58 54.88 2yr2 n ASN 34 Cb 0.77 -4.96 -0.15 0.00 -1.02 0.00 0.00 39.78 34.41 2yr2 n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2yr2 s LEU 35 N -7.23 1.97 0.66 3.41 1.43 -1.07 -5.01 118.68 112.84 2yr2 s LEU 35 Ca 0.54 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2yr2 s LEU 35 Cb -0.24 -0.76 0.07 0.00 0.03 0.00 0.00 46.19 45.28 2yr2 s LEU 35 CO 0.74 0.16 0.93 -0.94 0.23 0.00 0.00 176.35 177.47 2yr2 s SER 36 N -0.18 4.86 0.23 2.29 1.04 -1.26 -3.10 113.70 117.57 2yr2 s SER 36 Ca 0.02 0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.52 2yr2 s SER 36 Cb -0.07 -0.83 0.20 0.00 0.10 0.00 0.00 66.02 65.42 2yr2 s SER 36 CO 0.00 -1.51 1.88 0.22 0.98 0.00 0.00 173.24 174.82 2yr2 h TYR 37 N -0.37 1.13 -0.71 5.02 3.20 -1.85 -2.49 116.97 120.89 2yr2 h TYR 37 Ca -0.42 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 2yr2 h TYR 37 Cb 1.30 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2yr2 h TYR 37 CO 0.21 0.74 0.34 1.25 -1.64 0.00 0.00 178.16 179.07 2yr2 h LEU 38 N 1.19 0.93 -0.45 2.82 5.85 -1.98 -0.73 115.31 122.94 2yr2 h LEU 38 Ca 0.32 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.98 2yr2 h LEU 38 Cb -0.08 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.65 2yr2 h LEU 38 CO -0.06 0.80 0.05 0.44 -0.34 0.00 0.00 178.44 179.33 2yr2 h ASP 39 N 0.99 -0.08 -0.50 1.25 3.32 -1.84 0.64 116.42 120.21 2yr2 h ASP 39 Ca 0.24 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.41 2yr2 h ASP 39 Cb 0.12 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2yr2 h ASP 39 CO -0.03 -0.01 0.29 0.15 -1.72 0.00 0.00 179.24 177.92 2yr2 h PHE 40 N 0.17 0.54 -0.51 4.55 3.57 -0.97 -1.13 116.94 123.17 2yr2 h PHE 40 Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2yr2 h PHE 40 Cb 0.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2yr2 h PHE 40 CO -0.25 0.31 0.22 -0.07 -2.23 0.00 0.00 178.31 176.29 2yr2 h LEU 41 N 0.58 0.66 -0.52 0.59 3.38 -0.04 0.94 115.31 120.89 2yr2 h LEU 41 Ca 0.20 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2yr2 h LEU 41 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2yr2 h LEU 41 CO -0.10 0.58 -0.03 0.58 0.09 0.00 0.00 178.44 179.57 2yr2 h VAL 42 N 0.72 1.27 -0.63 1.22 2.07 -0.14 -1.65 116.25 119.11 2yr2 h VAL 42 Ca 0.18 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2yr2 h VAL 42 Cb 0.12 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2yr2 h VAL 42 CO -0.02 0.40 0.08 -0.07 0.02 0.00 0.00 177.57 177.98 2yr2 h LEU 43 N 0.81 1.03 -0.28 2.57 3.38 -0.48 -1.47 115.31 120.86 2yr2 h LEU 43 Ca 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2yr2 h LEU 43 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2yr2 h LEU 43 CO 0.03 1.04 0.16 -0.09 0.09 0.00 0.00 178.44 179.67 2yr2 h ARG 44 N 0.97 0.39 -0.66 1.13 2.43 -0.65 0.21 114.38 118.20 2yr2 h ARG 44 Ca 0.19 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2yr2 h ARG 44 Cb 0.47 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2yr2 h ARG 44 CO 0.02 0.33 0.30 0.00 -1.51 0.00 0.00 179.97 179.11 2yr2 h ALA 45 N 1.04 0.85 0.00 2.80 0.00 -1.14 -2.87 119.26 119.95 2yr2 h ALA 45 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2yr2 h ALA 45 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2yr2 h ALA 45 CO -0.02 0.43 -0.14 1.79 0.00 0.00 0.00 179.25 181.31 2yr2 h THR 46 N 0.92 0.25 0.00 0.00 1.35 -1.10 -3.20 112.91 111.13 2yr2 h THR 46 Ca 0.23 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2yr2 h THR 46 Cb 0.14 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2yr2 h THR 46 CO -0.03 0.14 0.03 0.77 -0.25 0.00 0.00 175.52 176.18 2yr2 h SER 47 N 0.00 0.00 -0.70 5.36 4.64 -0.35 -1.81 113.55 120.69 2yr2 h SER 47 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 2yr2 h SER 47 Cb 1.06 0.00 -0.43 0.00 -0.31 0.00 0.00 62.40 62.73 2yr2 h SER 47 CO 0.02 0.00 -0.86 -0.90 -0.87 0.00 0.00 176.83 174.21 2yr2 n ASP 48 N -3.04 4.43 0.00 4.97 5.75 -1.21 -5.06 116.55 122.39 2yr2 n ASP 48 Ca -0.03 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.26 2yr2 n ASP 48 Cb 0.09 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2yr2 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yr2 n GLY 49 N -0.69 4.11 3.75 6.12 0.00 -0.68 -5.10 105.19 112.70 2yr2 n GLY 49 Ca 0.38 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 2yr2 n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2yr2 s PRO 50 N -4.67 3.02 0.03 1.61 0.02 -1.26 -4.11 135.00 129.64 2yr2 s PRO 50 Ca 0.00 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.04 2yr2 s PRO 50 Cb 0.00 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 2yr2 s PRO 50 CO 0.00 -1.21 -0.05 0.15 -0.33 0.00 0.00 177.00 175.56 2yr2 s LYS 51 N -3.12 0.38 0.83 5.54 -0.14 -0.94 -4.91 119.74 117.37 2yr2 s LYS 51 Ca 0.75 -0.62 -0.12 0.00 -1.36 0.00 0.00 55.97 54.62 2yr2 s LYS 51 Cb -0.35 -0.05 0.09 0.00 -1.68 0.00 0.00 37.83 35.84 2yr2 s LYS 51 CO 0.40 -0.01 1.13 0.95 -0.76 0.00 0.00 175.35 177.06 2yr2 s THR 52 N -1.33 2.50 0.19 2.17 -4.23 -1.26 -0.28 115.64 113.40 2yr2 s THR 52 Ca -0.13 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2yr2 s THR 52 Cb -0.09 -3.00 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 2yr2 s THR 52 CO -0.00 -0.21 1.46 0.24 -0.54 0.00 0.00 174.62 175.57 2yr2 h MET 53 N -1.18 0.29 -0.83 3.99 2.86 -1.97 -2.93 114.93 115.16 2yr2 h MET 53 Ca -0.48 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 56.90 2yr2 h MET 53 Cb 1.30 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.98 2yr2 h MET 53 CO 0.62 0.90 0.44 0.00 1.06 0.00 0.00 176.91 179.92 2yr2 h ALA 54 N 1.03 1.20 -0.18 6.32 0.00 -1.94 -1.60 119.26 124.09 2yr2 h ALA 54 Ca -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2yr2 h ALA 54 Cb 1.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2yr2 h ALA 54 CO 0.12 0.63 0.09 -0.92 0.00 0.00 0.00 179.25 179.17 2yr2 h TYR 55 N 1.17 0.17 -0.11 0.00 5.03 -1.91 -2.32 116.97 119.01 2yr2 h TYR 55 Ca 0.29 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.61 2yr2 h TYR 55 Cb 0.06 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 2yr2 h TYR 55 CO 0.01 0.10 0.06 -0.07 -1.32 0.00 0.00 178.16 176.94 2yr2 h LEU 56 N 0.20 0.15 -0.98 2.82 3.38 -1.28 0.16 115.31 119.76 2yr2 h LEU 56 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2yr2 h LEU 56 Cb 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2yr2 h LEU 56 CO -0.05 0.20 0.65 0.00 0.09 0.00 0.00 178.44 179.33 2yr2 h ALA 57 N 0.95 1.27 -0.11 1.53 0.00 -1.28 -1.76 119.26 119.86 2yr2 h ALA 57 Ca 0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2yr2 h ALA 57 Cb 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2yr2 h ALA 57 CO -0.01 0.60 -0.60 -0.97 0.00 0.00 0.00 179.25 178.28 2yr2 h ASN 58 N 1.30 0.71 -0.55 0.00 -0.73 -1.22 0.13 115.58 115.21 2yr2 h ASN 58 Ca 0.37 -0.65 -0.01 0.00 1.87 0.00 0.00 56.30 57.88 2yr2 h ASN 58 Cb -0.10 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 2yr2 h ASN 58 CO -0.09 1.25 0.30 -0.09 -0.37 0.00 0.00 177.43 178.42 2yr2 h ARG 59 N 0.23 0.77 -0.38 6.67 9.65 -0.51 -2.98 114.38 127.82 2yr2 h ARG 59 Ca -0.04 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2yr2 h ARG 59 Cb 1.24 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 2yr2 h ARG 59 CO 0.12 0.60 0.00 0.66 2.80 0.00 0.00 179.97 184.15 2yr2 n TYR 60 N -4.61 0.49 -3.66 2.20 4.01 -0.68 -4.99 117.16 109.93 2yr2 n TYR 60 Ca 0.03 -0.25 -0.25 0.00 -0.16 0.00 0.00 57.90 57.28 2yr2 n TYR 60 Cb 0.09 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.16 2yr2 n TYR 60 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2yr2 n PHE 61 N 1.23 -1.96 -4.39 -0.72 7.35 0.31 -5.02 117.46 114.27 2yr2 n PHE 61 Ca 0.19 0.69 -0.19 0.00 -0.76 0.00 0.00 57.45 57.37 2yr2 n PHE 61 Cb 0.54 -3.93 -0.10 0.00 0.35 0.00 0.00 39.48 36.33 2yr2 n PHE 61 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2yr2 s VAL 62 N -3.59 0.79 0.84 -2.13 -7.23 -0.39 -5.03 120.40 103.67 2yr2 s VAL 62 Ca 0.24 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 2yr2 s VAL 62 Cb -0.07 -2.67 0.10 0.00 0.56 0.00 0.00 36.38 34.30 2yr2 s VAL 62 CO 0.83 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 177.13 2yr2 s THR 63 N -3.52 2.89 0.30 5.32 -4.23 -1.26 -4.61 115.64 110.53 2yr2 s THR 63 Ca 0.36 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 61.18 2yr2 s THR 63 Cb 0.08 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 71.14 2yr2 s THR 63 CO 0.15 -0.38 1.81 -0.61 -0.54 0.00 0.00 174.62 175.05 2yr2 h GLN 64 N -1.30 0.61 -0.77 3.99 5.75 -1.96 -2.56 115.11 118.87 2yr2 h GLN 64 Ca -0.48 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 57.85 2yr2 h GLN 64 Cb 1.27 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.71 2yr2 h GLN 64 CO 0.57 0.67 0.42 0.77 -2.65 0.00 0.00 178.83 178.60 2yr2 h SER 65 N 0.58 0.97 -0.12 -0.69 0.02 -1.99 -1.53 113.55 110.78 2yr2 h SER 65 Ca 0.11 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2yr2 h SER 65 Cb 0.43 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2yr2 h SER 65 CO 0.02 0.79 0.07 0.00 -1.14 0.00 0.00 176.83 176.57 2yr2 h ALA 66 N 1.22 0.14 -0.21 3.77 0.00 -1.83 -1.08 119.26 121.27 2yr2 h ALA 66 Ca 0.27 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2yr2 h ALA 66 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2yr2 h ALA 66 CO -0.04 -0.38 0.07 0.82 0.00 0.00 0.00 179.25 179.72 2yr2 h ILE 67 N 0.14 0.95 -0.32 0.00 1.08 -1.36 0.41 117.51 118.40 2yr2 h ILE 67 Ca 0.04 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 2yr2 h ILE 67 Cb -0.00 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 2yr2 h ILE 67 CO -0.02 0.03 -0.07 0.74 -0.69 0.00 0.00 178.15 178.14 2yr2 h THR 68 N 0.17 0.69 -0.61 -0.27 2.02 -1.05 0.32 112.91 114.19 2yr2 h THR 68 Ca 0.09 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2yr2 h THR 68 Cb 0.06 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2yr2 h THR 68 CO -0.09 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.16 2yr2 h ALA 69 N 1.31 0.78 -0.43 6.16 0.00 -0.77 0.34 119.26 126.65 2yr2 h ALA 69 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2yr2 h ALA 69 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2yr2 h ALA 69 CO -0.32 0.27 0.21 1.03 0.00 0.00 0.00 179.25 180.44 2yr2 h SER 70 N 0.83 0.56 -0.39 0.00 0.87 -0.04 -1.43 113.55 113.96 2yr2 h SER 70 Ca 0.22 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2yr2 h SER 70 Cb -0.01 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2yr2 h SER 70 CO -0.04 0.52 0.07 0.58 -0.53 0.00 0.00 176.83 177.43 2yr2 h VAL 71 N 0.56 1.24 -0.96 2.23 2.07 -0.12 -0.58 116.25 120.69 2yr2 h VAL 71 Ca 0.15 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 66.93 2yr2 h VAL 71 Cb 0.11 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2yr2 h VAL 71 CO -0.02 0.29 0.60 0.44 0.02 0.00 0.00 177.57 178.90 2yr2 h ASP 72 N 0.49 0.88 0.34 0.57 3.32 -0.71 0.83 116.42 122.13 2yr2 h ASP 72 Ca 0.12 0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 2yr2 h ASP 72 Cb 0.36 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2yr2 h ASP 72 CO 0.01 0.48 -0.79 0.50 -1.72 0.00 0.00 179.24 177.72 2yr2 h LYS 73 N 0.96 0.36 0.01 3.56 3.64 -0.86 -1.03 116.57 123.20 2yr2 h LYS 73 Ca 0.47 -0.32 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 2yr2 h LYS 73 Cb 0.44 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2yr2 h LYS 73 CO -0.26 0.98 -0.90 -0.07 -2.27 0.00 0.00 179.45 176.93 2yr2 h LEU 74 N 0.23 0.23 0.05 5.20 3.38 -0.37 -2.62 115.31 121.41 2yr2 h LEU 74 Ca -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2yr2 h LEU 74 Cb 1.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2yr2 h LEU 74 CO 0.13 1.02 -0.02 -0.08 0.09 0.00 0.00 178.44 179.58 2yr2 h GLU 75 N 0.09 -0.06 -0.50 1.13 4.81 0.78 0.14 114.58 120.97 2yr2 h GLU 75 Ca -0.05 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2yr2 h GLU 75 Cb 1.55 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.88 2yr2 h GLU 75 CO 0.14 0.12 0.17 1.49 -0.73 0.00 0.00 179.01 180.20 2yr2 h GLU 76 N -0.24 0.34 -0.27 1.92 4.81 -1.20 0.56 114.58 120.50 2yr2 h GLU 76 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2yr2 h GLU 76 Cb 0.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2yr2 h GLU 76 CO 0.01 0.22 0.00 -1.33 -0.73 0.00 0.00 179.01 177.18 2yr2 n MET 77 N -5.01 0.93 -3.32 1.92 2.81 -0.99 -4.88 117.12 108.58 2yr2 n MET 77 Ca 0.05 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 2yr2 n MET 77 Cb 0.20 -1.13 0.01 0.00 -0.71 0.00 0.00 33.22 31.59 2yr2 n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yr2 n GLY 78 N 0.31 -0.50 0.01 3.03 0.00 0.19 -4.87 105.19 103.37 2yr2 n GLY 78 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.24 2yr2 n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yr2 n LEU 79 N -3.88 0.24 -3.93 0.99 4.77 0.43 -4.23 117.00 111.39 2yr2 n LEU 79 Ca -0.03 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 2yr2 n LEU 79 Cb 0.56 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 2yr2 n LEU 79 CO 0.52 0.05 -0.04 0.68 -1.33 0.00 0.00 177.39 177.27 2yr2 s VAL 80 N -3.40 0.09 0.03 4.08 -7.23 -1.21 -1.03 120.40 111.73 2yr2 s VAL 80 Ca -0.04 -1.33 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2yr2 s VAL 80 Cb 0.14 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2yr2 s VAL 80 CO 0.90 -0.39 -0.01 0.68 -0.31 0.00 0.00 175.10 175.97 2yr2 s VAL 81 N -3.94 0.14 -0.22 1.32 -7.23 -0.63 -4.27 120.40 105.57 2yr2 s VAL 81 Ca 0.14 -1.13 -0.10 0.00 -1.81 0.00 0.00 61.98 59.08 2yr2 s VAL 81 Cb 0.04 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 2yr2 s VAL 81 CO -0.03 -0.62 0.14 -0.13 -0.31 0.00 0.00 175.10 174.15 2yr2 s ARG 82 N -2.14 4.14 0.05 4.82 0.52 -1.26 -0.69 118.95 124.39 2yr2 s ARG 82 Ca -0.09 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2yr2 s ARG 82 Cb -0.05 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 2yr2 s ARG 82 CO -0.03 0.20 -0.07 0.14 0.02 0.00 0.00 175.30 175.56 2yr2 s VAL 83 N 0.65 0.54 0.24 3.52 -7.23 -0.20 -4.95 120.40 112.97 2yr2 s VAL 83 Ca 0.08 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2yr2 s VAL 83 Cb -0.12 -0.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.94 2yr2 s VAL 83 CO 0.01 -0.49 1.02 -0.13 -0.31 0.00 0.00 175.10 175.20 2yr2 s ARG 84 N -2.01 4.74 0.60 4.82 0.52 -1.26 -0.37 118.95 125.99 2yr2 s ARG 84 Ca -0.06 1.64 0.29 0.00 -0.52 0.00 0.00 55.73 57.07 2yr2 s ARG 84 Cb -0.07 -3.25 1.50 0.00 0.52 0.00 0.00 34.95 33.65 2yr2 s ARG 84 CO -0.01 0.34 1.90 0.22 0.02 0.00 0.00 175.30 177.77 2yr2 h ASP 85 N 4.17 0.00 0.00 0.23 3.58 -0.90 -3.47 116.42 120.04 2yr2 h ASP 85 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2yr2 h ASP 85 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2yr2 h ASP 85 CO 0.68 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 177.58 2yr2 n ARG 86 N -3.56 0.00 -0.09 0.28 5.12 -1.26 -4.49 116.66 112.66 2yr2 n ARG 86 Ca 0.06 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.87 2yr2 n ARG 86 Cb 0.60 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.79 2yr2 n ARG 86 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2yr2 n GLU 87 N 0.00 0.92 -3.57 5.56 4.71 -1.26 -4.67 120.64 122.34 2yr2 n GLU 87 Ca 0.00 0.06 -0.29 0.00 -0.01 0.00 0.00 57.16 56.92 2yr2 n GLU 87 Cb 0.00 -1.42 -0.12 0.00 -1.01 0.00 0.00 31.44 28.89 2yr2 n GLU 87 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2yr2 s ASP 88 N -5.53 3.13 0.33 1.62 -1.08 -1.26 -5.00 116.67 108.89 2yr2 s ASP 88 Ca -0.18 -2.50 0.10 0.00 -0.52 0.00 0.00 52.55 49.45 2yr2 s ASP 88 Cb 0.06 -0.69 0.89 0.00 -1.46 0.00 0.00 42.92 41.72 2yr2 s ASP 88 CO 0.58 -0.27 1.76 0.03 0.52 0.00 0.00 175.17 177.79 2yr2 h ARG 89 N 6.71 0.58 0.00 4.34 2.47 -1.90 0.11 114.38 126.69 2yr2 h ARG 89 Ca 0.06 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2yr2 h ARG 89 Cb 0.94 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2yr2 h ARG 89 CO 0.37 0.38 -0.00 0.00 0.56 0.00 0.00 179.97 181.29 2yr2 h ARG 90 N 0.60 0.00 -5.90 0.04 3.08 -1.97 -3.36 114.38 106.86 2yr2 h ARG 90 Ca 0.61 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 60.07 2yr2 h ARG 90 Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.14 2yr2 h ARG 90 CO -0.39 0.00 0.45 0.21 -1.07 0.00 0.00 179.97 179.16 2yr2 s LYS 91 N -4.19 4.26 -0.15 0.04 2.47 0.37 -4.99 119.74 117.55 2yr2 s LYS 91 Ca -0.05 1.02 -0.12 0.00 -1.56 0.00 0.00 55.97 55.26 2yr2 s LYS 91 Cb 0.13 -3.60 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 2yr2 s LYS 91 CO 0.44 -0.41 0.26 0.42 0.16 0.00 0.00 175.35 176.22 2yr2 s ILE 92 N 2.44 5.32 0.13 5.43 1.09 -1.26 -0.52 121.20 133.84 2yr2 s ILE 92 Ca 0.38 0.47 0.07 0.00 -1.10 0.00 0.00 60.65 60.47 2yr2 s ILE 92 Cb -0.16 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 2yr2 s ILE 92 CO 0.10 0.44 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.55 2yr2 s LEU 93 N 0.14 3.10 -0.20 2.97 1.43 0.50 -4.28 118.68 122.34 2yr2 s LEU 93 Ca 0.15 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 2yr2 s LEU 93 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2yr2 s LEU 93 CO 0.04 0.15 0.02 -0.63 0.23 0.00 0.00 176.35 176.16 2yr2 s ILE 94 N -1.39 4.15 -0.11 -0.59 1.01 0.61 -1.03 121.20 123.85 2yr2 s ILE 94 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2yr2 s ILE 94 Cb -0.10 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2yr2 s ILE 94 CO 0.15 0.42 -0.18 -1.83 0.00 0.00 0.00 174.94 173.50 2yr2 s GLU 95 N 0.99 2.46 0.62 2.79 -1.05 0.14 -2.22 118.70 122.41 2yr2 s GLU 95 Ca 0.02 -0.66 -0.18 0.00 -0.15 0.00 0.00 54.97 54.01 2yr2 s GLU 95 Cb -0.14 -2.01 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 2yr2 s GLU 95 CO 0.02 -0.00 1.21 -1.50 0.95 0.00 0.00 175.26 175.94 2yr2 s ILE 96 N 0.81 2.55 0.35 1.83 2.07 -1.26 -1.60 121.20 125.94 2yr2 s ILE 96 Ca -0.10 0.33 0.07 0.00 -1.41 0.00 0.00 60.65 59.54 2yr2 s ILE 96 Cb -0.16 -3.08 -0.02 0.00 0.13 0.00 0.00 42.46 39.33 2yr2 s ILE 96 CO 0.01 -0.09 0.33 0.42 -1.91 0.00 0.00 174.94 173.70 2yr2 s THR 97 N -1.65 3.39 0.54 4.00 -4.23 -0.20 -4.84 115.64 112.65 2yr2 s THR 97 Ca 0.77 -1.32 0.20 0.00 -1.18 0.00 0.00 61.69 60.16 2yr2 s THR 97 Cb -0.31 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 70.68 2yr2 s THR 97 CO 0.36 -0.13 2.15 1.05 -0.54 0.00 0.00 174.62 177.50 2yr2 h GLU 98 N 1.16 0.00 0.25 3.99 4.11 -1.91 -0.25 114.58 121.92 2yr2 h GLU 98 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 2yr2 h GLU 98 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2yr2 h GLU 98 CO 0.57 0.00 -0.12 -0.22 0.07 0.00 0.00 179.01 179.31 2yr2 h LYS 99 N 0.00 -0.32 -0.55 1.06 1.63 -1.88 -2.29 116.57 114.22 2yr2 h LYS 99 Ca 0.03 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.95 2yr2 h LYS 99 Cb 0.13 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.76 2yr2 h LYS 99 CO -0.00 -0.03 0.14 0.78 -3.45 0.00 0.00 179.45 176.89 2yr2 h GLY 100 N -0.59 0.71 1.11 5.01 0.00 -1.15 -0.60 103.07 107.55 2yr2 h GLY 100 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.27 2yr2 h GLY 100 CO 0.06 -0.07 0.54 1.41 0.00 0.00 0.00 176.54 178.48 2yr2 h LEU 101 N 0.29 0.89 0.47 3.11 3.38 -1.14 0.54 115.31 122.84 2yr2 h LEU 101 Ca 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2yr2 h LEU 101 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2yr2 h LEU 101 CO -0.34 0.63 -0.24 -0.33 0.09 0.00 0.00 178.44 178.24 2yr2 h GLU 102 N 1.04 -0.63 -0.09 1.13 5.08 -0.55 -1.40 114.58 119.16 2yr2 h GLU 102 Ca 0.32 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2yr2 h GLU 102 Cb -0.01 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2yr2 h GLU 102 CO -0.09 -0.42 -0.16 1.15 -1.00 0.00 0.00 179.01 178.49 2yr2 h THR 103 N -0.65 1.17 -0.66 1.13 2.02 -0.70 -2.29 112.91 112.93 2yr2 h THR 103 Ca -0.06 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2yr2 h THR 103 Cb 0.51 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2yr2 h THR 103 CO 0.09 0.23 0.28 0.15 0.37 0.00 0.00 175.52 176.64 2yr2 h PHE 104 N 0.13 0.99 -0.87 3.16 3.57 0.49 -1.95 116.94 122.46 2yr2 h PHE 104 Ca 0.03 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2yr2 h PHE 104 Cb 0.38 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2yr2 h PHE 104 CO 0.00 0.77 0.58 -0.91 -2.23 0.00 0.00 178.31 176.52 2yr2 h ASN 105 N 0.92 1.00 -0.34 0.41 -0.26 -0.67 -0.56 115.58 116.09 2yr2 h ASN 105 Ca 0.22 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.90 2yr2 h ASN 105 Cb 0.19 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2yr2 h ASN 105 CO -0.02 0.73 0.08 0.11 -1.06 0.00 0.00 177.43 177.27 2yr2 h LYS 106 N 1.19 0.54 -0.94 0.81 1.57 -1.35 -1.79 116.57 116.61 2yr2 h LYS 106 Ca 0.32 -0.13 0.12 0.00 -1.87 0.00 0.00 60.65 59.09 2yr2 h LYS 106 Cb -0.14 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.02 2yr2 h LYS 106 CO -0.07 0.60 0.57 0.78 -0.57 0.00 0.00 179.45 180.76 2yr2 h GLY 107 N 0.39 1.53 1.34 3.86 0.00 -0.56 0.13 103.07 109.75 2yr2 h GLY 107 Ca 0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 2yr2 h GLY 107 CO 0.00 0.12 0.14 -2.22 0.00 0.00 0.00 176.54 174.58 2yr2 h ILE 108 N 0.89 1.22 -0.39 2.60 1.08 -0.66 0.19 117.51 122.46 2yr2 h ILE 108 Ca 0.47 -0.81 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2yr2 h ILE 108 Cb 0.49 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2yr2 h ILE 108 CO -0.28 0.30 0.11 -0.33 -0.69 0.00 0.00 178.15 177.26 2yr2 h GLU 109 N 0.80 0.61 -0.12 2.37 4.39 0.05 0.78 114.58 123.45 2yr2 h GLU 109 Ca 0.18 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2yr2 h GLU 109 Cb 0.29 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2yr2 h GLU 109 CO -0.00 0.63 0.05 0.82 -1.16 0.00 0.00 179.01 179.34 2yr2 h ILE 110 N 0.48 1.16 -0.58 3.13 2.04 -0.92 -0.63 117.51 122.19 2yr2 h ILE 110 Ca 0.12 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.52 2yr2 h ILE 110 Cb 0.28 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2yr2 h ILE 110 CO -0.00 0.15 0.35 0.22 0.00 0.00 0.00 178.15 178.86 2yr2 h TYR 111 N 0.03 0.65 0.03 1.37 5.03 -0.71 -1.70 116.97 121.67 2yr2 h TYR 111 Ca 0.04 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.38 2yr2 h TYR 111 Cb 0.19 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2yr2 h TYR 111 CO -0.01 0.37 -0.11 0.87 -1.32 0.00 0.00 178.16 177.96 2yr2 h LYS 112 N 0.69 -0.19 -0.32 1.82 1.57 0.87 -1.17 116.57 119.84 2yr2 h LYS 112 Ca 0.24 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 2yr2 h LYS 112 Cb 0.03 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2yr2 h LYS 112 CO -0.11 -0.13 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.37 2yr2 h LYS 113 N -0.20 0.02 -0.10 3.15 3.64 -0.80 -1.08 116.57 121.21 2yr2 h LYS 113 Ca 0.03 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2yr2 h LYS 113 Cb 0.23 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2yr2 h LYS 113 CO -0.08 0.01 -0.01 1.25 -2.27 0.00 0.00 179.45 178.35 2yr2 h LEU 114 N 0.02 -0.06 -1.47 5.20 5.85 -1.09 -2.29 115.31 121.48 2yr2 h LEU 114 Ca 0.15 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2yr2 h LEU 114 Cb 0.23 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2yr2 h LEU 114 CO -0.31 -0.02 0.41 0.00 -0.34 0.00 0.00 178.44 178.18 2yr2 h ALA 115 N 1.09 1.72 -0.50 1.25 0.00 -0.81 -1.07 119.26 120.94 2yr2 h ALA 115 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2yr2 h ALA 115 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2yr2 h ALA 115 CO -0.09 0.20 -0.03 -0.91 0.00 0.00 0.00 179.25 178.42 2yr2 h ASN 116 N 0.68 0.83 0.51 0.00 2.35 -0.68 -2.14 115.58 117.14 2yr2 h ASN 116 Ca 0.25 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2yr2 h ASN 116 Cb 0.16 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2yr2 h ASN 116 CO -0.07 0.91 -0.25 -0.33 -1.65 0.00 0.00 177.43 176.04 2yr2 h GLU 117 N 0.79 -0.67 -0.53 0.81 5.08 -0.69 -1.71 114.58 117.66 2yr2 h GLU 117 Ca 0.15 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.67 2yr2 h GLU 117 Cb 0.51 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2yr2 h GLU 117 CO 0.03 -0.44 0.37 -0.39 -1.00 0.00 0.00 179.01 177.57 2yr2 h VAL 118 N -0.82 0.82 -0.35 3.13 -1.51 -1.40 0.22 116.25 116.34 2yr2 h VAL 118 Ca -0.07 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 2yr2 h VAL 118 Cb 0.53 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2yr2 h VAL 118 CO 0.12 0.04 0.00 0.35 -1.23 0.00 0.00 177.57 176.84 2yr2 n THR 119 N -4.44 0.45 -0.33 7.19 -2.24 -0.81 -4.63 114.28 109.48 2yr2 n THR 119 Ca 0.09 -0.64 0.17 0.00 -2.27 0.00 0.00 64.05 61.41 2yr2 n THR 119 Cb 0.46 0.74 0.34 0.00 -2.10 0.00 0.00 70.33 69.78 2yr2 n THR 119 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2yr2 h GLY 120 N 4.71 1.44 1.70 3.38 0.00 0.43 0.26 103.07 114.98 2yr2 h GLY 120 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2yr2 h GLY 120 CO 0.00 -0.55 0.00 1.22 0.00 0.00 0.00 176.54 177.21 2yr2 n ASP 121 N -5.42 0.00 -4.77 0.19 8.00 -1.26 -4.73 116.55 108.56 2yr2 n ASP 121 Ca 0.26 0.20 -0.37 0.00 0.71 0.00 0.00 54.79 55.58 2yr2 n ASP 121 Cb 0.85 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.53 2yr2 n ASP 121 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yr2 s LEU 122 N -2.70 4.32 0.62 0.64 1.43 0.91 -5.08 118.68 118.81 2yr2 s LEU 122 Ca 0.12 0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 2yr2 s LEU 122 Cb 0.10 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2yr2 s LEU 122 CO 0.24 0.17 1.01 -0.94 0.23 0.00 0.00 176.35 177.06 2yr2 s SER 123 N -0.02 6.00 0.32 2.29 1.04 -1.26 -4.79 113.70 117.28 2yr2 s SER 123 Ca 0.19 1.24 0.07 0.00 0.48 0.00 0.00 55.95 57.94 2yr2 s SER 123 Cb -0.14 -2.26 0.78 0.00 0.10 0.00 0.00 66.02 64.50 2yr2 s SER 123 CO 0.07 -0.96 1.79 -0.33 0.98 0.00 0.00 173.24 174.79 2yr2 h GLU 124 N -0.32 0.71 0.01 4.02 4.39 -1.98 0.98 114.58 122.39 2yr2 h GLU 124 Ca -0.45 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.22 2yr2 h GLU 124 Cb 1.21 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2yr2 h GLU 124 CO 0.62 0.47 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.46 2yr2 h ASP 125 N 0.73 -0.12 -0.62 1.42 3.32 -2.01 -3.03 116.42 116.11 2yr2 h ASP 125 Ca 0.56 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.55 2yr2 h ASP 125 Cb 0.91 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2yr2 h ASP 125 CO -0.34 -0.06 0.11 -0.33 -1.72 0.00 0.00 179.24 176.90 2yr2 h GLU 126 N -0.08 1.05 -0.13 3.56 5.08 -1.28 -2.63 114.58 120.14 2yr2 h GLU 126 Ca 0.01 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2yr2 h GLU 126 Cb 0.10 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2yr2 h GLU 126 CO -0.04 0.95 -0.16 0.28 -1.00 0.00 0.00 179.01 179.04 2yr2 h VAL 127 N 0.98 0.57 -0.14 3.13 2.07 -0.80 0.52 116.25 122.59 2yr2 h VAL 127 Ca 0.20 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.55 2yr2 h VAL 127 Cb 0.41 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2yr2 h VAL 127 CO 0.01 0.00 -0.61 0.16 0.02 0.00 0.00 177.57 177.15 2yr2 h ILE 128 N -0.20 1.34 -0.21 4.57 -0.00 -1.55 0.23 117.51 121.69 2yr2 h ILE 128 Ca 0.10 -1.91 0.00 0.00 -0.00 0.00 0.00 64.86 63.05 2yr2 h ILE 128 Cb 0.34 1.89 -0.01 0.00 -0.00 0.00 0.00 36.82 39.05 2yr2 h ILE 128 CO -0.25 0.58 0.13 0.25 -0.00 0.00 0.00 178.15 178.86 2yr2 h LEU 129 N 0.35 0.25 -0.43 0.16 5.85 -1.21 0.98 115.31 121.25 2yr2 h LEU 129 Ca -0.01 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2yr2 h LEU 129 Cb 1.15 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2yr2 h LEU 129 CO 0.11 0.20 0.09 0.58 -0.34 0.00 0.00 178.44 179.08 2yr2 h VAL 130 N 0.27 1.24 -0.29 1.05 2.07 -0.76 -2.43 116.25 117.40 2yr2 h VAL 130 Ca 0.08 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2yr2 h VAL 130 Cb -0.01 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2yr2 h VAL 130 CO -0.02 0.30 0.13 0.25 0.02 0.00 0.00 177.57 178.25 2yr2 h LEU 131 N 0.56 0.39 -1.05 2.57 5.85 -0.31 0.40 115.31 123.72 2yr2 h LEU 131 Ca 0.13 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2yr2 h LEU 131 Cb 0.35 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2yr2 h LEU 131 CO 0.01 0.43 0.63 0.44 -0.34 0.00 0.00 178.44 179.60 2yr2 h ASP 132 N 0.32 0.93 -0.04 1.25 3.32 -0.73 0.93 116.42 122.40 2yr2 h ASP 132 Ca 0.10 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 2yr2 h ASP 132 Cb 0.15 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2yr2 h ASP 132 CO -0.01 0.53 -0.21 0.50 -1.72 0.00 0.00 179.24 178.33 2yr2 h LYS 133 N 1.02 0.21 0.00 3.56 1.63 -0.96 -3.14 116.57 118.88 2yr2 h LYS 133 Ca 0.47 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 2yr2 h LYS 133 Cb 0.40 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2yr2 h LYS 133 CO -0.22 0.83 -0.21 -0.84 -3.45 0.00 0.00 179.45 175.55 2yr2 h ILE 134 N -0.36 0.55 -0.48 2.00 3.07 -0.71 -2.29 117.51 119.28 2yr2 h ILE 134 Ca -0.01 -1.05 -0.03 0.00 1.55 0.00 0.00 64.86 65.32 2yr2 h ILE 134 Cb 0.87 1.71 -0.02 0.00 -0.27 0.00 0.00 36.82 39.11 2yr2 h ILE 134 CO 0.04 0.21 0.17 0.28 -1.05 0.00 0.00 178.15 177.80 2yr2 h SER 135 N 0.00 0.64 -0.62 2.16 0.02 -0.85 -1.19 113.55 113.70 2yr2 h SER 135 Ca -0.00 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2yr2 h SER 135 Cb 0.70 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2yr2 h SER 135 CO 0.03 0.59 0.04 0.11 -1.14 0.00 0.00 176.83 176.47 2yr2 h LYS 136 N 0.69 1.07 -0.01 3.45 1.57 -1.36 -1.54 116.57 120.45 2yr2 h LYS 136 Ca 0.16 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2yr2 h LYS 136 Cb 0.17 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2yr2 h LYS 136 CO -0.01 1.02 0.00 0.82 -0.57 0.00 0.00 179.45 180.72 2yr2 h ILE 137 N 0.98 1.07 -0.86 1.86 2.04 -1.23 -1.36 117.51 120.01 2yr2 h ILE 137 Ca 0.18 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2yr2 h ILE 137 Cb 0.51 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 2yr2 h ILE 137 CO 0.02 0.05 0.53 0.25 0.00 0.00 0.00 178.15 179.01 2yr2 h LEU 138 N -0.07 0.85 -0.58 1.44 5.85 -1.15 -0.52 115.31 121.13 2yr2 h LEU 138 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2yr2 h LEU 138 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2yr2 h LEU 138 CO -0.00 0.55 0.38 0.50 -0.34 0.00 0.00 178.44 179.53 2yr2 h LYS 139 N 0.98 0.75 0.18 1.25 3.64 -0.95 0.56 116.57 122.99 2yr2 h LYS 139 Ca 0.37 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2yr2 h LYS 139 Cb 0.15 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2yr2 h LYS 139 CO -0.16 0.50 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.34 2yr2 h ARG 140 N 0.78 -0.23 0.00 1.90 9.65 -0.59 -3.15 114.38 122.73 2yr2 h ARG 140 Ca 0.21 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.03 2yr2 h ARG 140 Cb -0.08 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2yr2 h ARG 140 CO -0.05 0.11 -0.35 0.97 2.80 0.00 0.00 179.97 183.45 2yr2 h ILE 141 N -0.60 1.24 0.00 1.20 -0.00 -1.03 -2.91 117.51 115.41 2yr2 h ILE 141 Ca -0.02 -1.21 0.00 0.00 -0.00 0.00 0.00 64.86 63.63 2yr2 h ILE 141 Cb 0.44 1.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.92 2yr2 h ILE 141 CO 0.04 0.34 0.00 -0.08 -0.00 0.00 0.00 178.15 178.45 2yr2 h GLU 142 N 0.00 0.00 0.02 2.19 4.81 0.16 -2.79 114.58 118.96 2yr2 h GLU 142 Ca -0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2yr2 h GLU 142 Cb 0.63 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 2yr2 h GLU 142 CO 0.05 0.00 -2.14 -0.85 -0.73 0.00 0.00 179.01 175.34 2yr2 n GLU 143 N -2.76 0.68 -0.03 1.92 0.28 -1.11 -4.45 120.64 115.17 2yr2 n GLU 143 Ca 0.01 0.16 -0.12 0.00 -0.16 0.00 0.00 57.16 57.05 2yr2 n GLU 143 Cb 0.26 -1.63 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 2yr2 n GLU 143 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2yr2 h ILE 144 N 0.01 1.26 -1.39 3.84 5.03 -1.47 -3.29 117.51 121.49 2yr2 h ILE 144 Ca -0.45 -0.83 0.40 0.00 -0.12 0.00 0.00 64.86 63.86 2yr2 h ILE 144 Cb 2.08 1.60 -0.06 0.00 -3.03 0.00 0.00 36.82 37.41 2yr2 h ILE 144 CO 0.03 0.24 1.14 -1.20 -0.68 0.00 0.00 178.15 177.68 2yr2 n SER 145 N -4.80 0.00 0.00 1.72 7.64 -1.06 -5.14 113.62 111.97 2yr2 n SER 145 Ca -0.06 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2yr2 n SER 145 Cb 0.21 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2yr2 n SER 145 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03