#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jpq h LEU 11 N 0.00 0.51 -4.32 3.22 5.85 -1.94 -2.07 115.31 116.57 3jpq h LEU 11 Ca 0.00 0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.38 3jpq h LEU 11 Cb 0.00 -0.09 -0.38 0.00 0.37 0.00 0.00 40.66 40.56 3jpq h LEU 11 CO 0.00 0.31 -0.93 0.59 -0.34 0.00 0.00 178.44 178.06 3jpq n ASN 12 N -4.49 3.00 -0.33 1.25 3.02 -1.26 -4.75 115.26 111.70 3jpq n ASN 12 Ca 0.12 -2.92 0.10 0.00 -0.03 0.00 0.00 54.58 51.85 3jpq n ASN 12 Cb 0.36 -0.41 0.28 0.00 -0.61 0.00 0.00 39.78 39.40 3jpq n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3jpq h GLY 13 N 2.17 1.60 1.00 7.41 0.00 -1.79 -1.35 103.07 112.12 3jpq h GLY 13 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3jpq h GLY 13 CO 0.41 -0.06 0.28 -1.33 0.00 0.00 0.00 176.54 175.84 3jpq h GLY 14 N 0.69 0.61 0.74 4.60 0.00 -1.91 0.05 103.07 107.86 3jpq h GLY 14 Ca 0.53 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3jpq h GLY 14 CO -0.38 0.23 -0.08 -2.22 0.00 0.00 0.00 176.54 174.09 3jpq h ILE 15 N 0.58 1.32 -0.47 2.60 2.04 -1.80 -1.98 117.51 119.80 3jpq h ILE 15 Ca 0.16 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 3jpq h ILE 15 Cb -0.05 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3jpq h ILE 15 CO -0.03 0.33 0.03 0.71 0.00 0.00 0.00 178.15 179.19 3jpq h THR 16 N -0.03 1.23 -0.62 -0.27 1.35 -1.20 -0.72 112.91 112.64 3jpq h THR 16 Ca 0.03 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.94 3jpq h THR 16 Cb 0.55 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 3jpq h THR 16 CO 0.02 0.32 0.25 0.44 -0.25 0.00 0.00 175.52 176.31 3jpq h ASP 17 N 0.71 0.86 -0.31 5.36 3.32 -0.95 -0.37 116.42 125.03 3jpq h ASP 17 Ca 0.15 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3jpq h ASP 17 Cb 0.39 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3jpq h ASP 17 CO 0.01 0.79 0.18 -0.03 -1.72 0.00 0.00 179.24 178.47 3jpq h MET 18 N 0.87 0.43 -0.37 3.56 1.85 -0.84 -1.29 114.93 119.13 3jpq h MET 18 Ca 0.21 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 59.17 3jpq h MET 18 Cb 0.20 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 3jpq h MET 18 CO -0.02 0.34 -0.12 -0.07 -0.40 0.00 0.00 176.91 176.64 3jpq h LEU 19 N 0.39 0.64 -0.58 3.39 3.38 -0.92 -1.75 115.31 119.86 3jpq h LEU 19 Ca 0.11 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3jpq h LEU 19 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3jpq h LEU 19 CO -0.02 0.79 -0.14 0.74 0.09 0.00 0.00 178.44 179.90 3jpq h THR 20 N 0.60 1.27 -0.74 0.22 2.02 -0.80 0.82 112.91 116.29 3jpq h THR 20 Ca 0.10 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 3jpq h THR 20 Cb 0.55 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3jpq h THR 20 CO 0.03 0.45 0.27 -0.08 0.37 0.00 0.00 175.52 176.57 3jpq h GLU 21 N 0.87 1.11 -0.38 6.66 4.81 -0.94 -0.03 114.58 126.69 3jpq h GLU 21 Ca 0.13 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 3jpq h GLU 21 Cb 0.70 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3jpq h GLU 21 CO 0.05 0.92 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.91 3jpq h LEU 22 N 1.08 0.81 -0.11 1.64 3.38 -1.00 -1.31 115.31 119.80 3jpq h LEU 22 Ca 0.25 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3jpq h LEU 22 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3jpq h LEU 22 CO -0.02 1.03 0.07 0.00 0.09 0.00 0.00 178.44 179.61 3jpq h ALA 23 N 1.02 0.14 -0.78 1.53 0.00 -0.16 -1.85 119.26 119.16 3jpq h ALA 23 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3jpq h ALA 23 Cb 0.79 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3jpq h ALA 23 CO 0.07 -0.35 0.40 -0.91 0.00 0.00 0.00 179.25 178.46 3jpq h ASN 24 N 0.12 0.99 -0.02 0.00 2.35 -0.86 -1.41 115.58 116.74 3jpq h ASN 24 Ca 0.04 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3jpq h ASN 24 Cb 0.02 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 3jpq h ASN 24 CO -0.01 0.81 0.00 0.15 -1.65 0.00 0.00 177.43 176.74 3jpq h PHE 25 N 1.10 0.00 -0.84 1.19 3.04 -0.92 0.13 116.94 120.64 3jpq h PHE 25 Ca 0.27 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 3jpq h PHE 25 Cb 0.06 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 3jpq h PHE 25 CO 0.01 -0.00 0.44 0.93 -2.02 0.00 0.00 178.31 177.67 3jpq h GLU 26 N 0.01 1.19 0.11 1.11 4.39 -1.05 0.13 114.58 120.47 3jpq h GLU 26 Ca 0.01 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3jpq h GLU 26 Cb 0.01 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 3jpq h GLU 26 CO -0.01 0.89 -0.05 -0.22 -1.16 0.00 0.00 179.01 178.46 3jpq h LYS 27 N 1.19 -0.14 0.14 2.33 3.64 -1.02 0.43 116.57 123.15 3jpq h LYS 27 Ca 0.29 0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.38 3jpq h LYS 27 Cb 0.07 0.03 0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3jpq h LYS 27 CO -0.04 0.34 -1.29 -0.91 -2.27 0.00 0.00 179.45 175.28 3jpq h ASN 28 N -0.70 0.83 0.00 4.20 2.35 -0.75 -3.24 115.58 118.26 3jpq h ASN 28 Ca -0.01 -0.79 -0.08 0.00 -0.55 0.00 0.00 56.30 54.86 3jpq h ASN 28 Cb 0.54 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3jpq h ASN 28 CO 0.02 1.60 -1.10 0.52 -1.65 0.00 0.00 177.43 176.82 3jpq n VAL 29 N -3.75 1.48 0.22 2.81 0.31 0.43 -4.56 118.33 115.27 3jpq n VAL 29 Ca -0.14 0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.37 3jpq n VAL 29 Cb 1.01 -2.27 0.46 0.00 -0.91 0.00 0.00 33.84 32.12 3jpq n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3jpq h SER 30 N -1.00 0.00 -5.84 4.52 0.02 -1.37 -3.47 113.55 106.42 3jpq h SER 30 Ca -0.13 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.44 3jpq h SER 30 Cb 0.97 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.63 3jpq h SER 30 CO -0.08 0.23 -0.75 0.00 -1.14 0.00 0.00 176.83 175.09 3jpq n GLN 31 N -3.40 -6.71 -3.79 3.45 6.02 0.13 -4.94 117.38 108.14 3jpq n GLN 31 Ca 0.00 0.79 -0.31 0.00 -0.01 0.00 0.00 57.00 57.47 3jpq n GLN 31 Cb 0.43 -5.74 -0.10 0.00 1.02 0.00 0.00 30.24 25.85 3jpq n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jpq n ALA 32 N -4.48 3.59 -0.24 -1.58 0.00 0.27 -4.96 120.51 113.12 3jpq n ALA 32 Ca -0.17 -4.57 0.15 0.00 0.00 0.00 0.00 53.44 48.85 3jpq n ALA 32 Cb 0.62 -1.25 0.44 0.00 0.00 0.00 0.00 19.45 19.26 3jpq n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3jpq h ILE 33 N 4.20 0.78 -0.07 0.00 6.09 -1.90 -1.31 117.51 125.30 3jpq h ILE 33 Ca 0.16 -0.19 -0.13 0.00 -1.37 0.00 0.00 64.86 63.33 3jpq h ILE 33 Cb 0.76 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 3jpq h ILE 33 CO 0.77 0.10 -0.54 0.45 -3.07 0.00 0.00 178.15 175.87 3jpq h HIS 34 N 0.55 0.26 -0.07 2.19 3.86 -1.96 -1.59 115.15 118.39 3jpq h HIS 34 Ca 0.44 -0.09 -0.19 0.00 -1.16 0.00 0.00 60.37 59.37 3jpq h HIS 34 Cb 0.87 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 3jpq h HIS 34 CO -0.00 0.70 -0.75 0.87 0.86 0.00 0.00 177.93 179.61 3jpq h LYS 35 N 0.16 0.40 0.05 2.45 1.57 -1.68 -1.38 116.57 118.15 3jpq h LYS 35 Ca 0.00 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3jpq h LYS 35 Cb 1.01 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3jpq h LYS 35 CO 0.08 0.99 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.92 3jpq h TYR 36 N 0.27 -0.29 -0.21 -1.35 3.20 -1.01 -0.99 116.97 116.60 3jpq h TYR 36 Ca -0.04 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 3jpq h TYR 36 Cb 1.34 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 3jpq h TYR 36 CO 0.05 -0.17 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.32 3jpq h ASN 37 N -0.22 0.34 -0.30 -2.11 2.35 -1.22 -0.59 115.58 113.82 3jpq h ASN 37 Ca 0.02 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3jpq h ASN 37 Cb 0.24 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3jpq h ASN 37 CO -0.08 0.53 0.15 0.00 -1.65 0.00 0.00 177.43 176.39 3jpq h ALA 38 N 1.51 0.39 -0.49 -0.83 0.00 -0.78 0.55 119.26 119.61 3jpq h ALA 38 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3jpq h ALA 38 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3jpq h ALA 38 CO 0.03 -0.06 0.10 1.88 0.00 0.00 0.00 179.25 181.20 3jpq h TYR 39 N 0.36 0.84 -0.85 0.00 0.05 -0.83 -1.71 116.97 114.83 3jpq h TYR 39 Ca 0.11 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3jpq h TYR 39 Cb 0.10 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 3jpq h TYR 39 CO -0.02 0.76 0.43 0.00 -1.05 0.00 0.00 178.16 178.28 3jpq h ARG 40 N 0.67 1.21 -0.40 4.88 3.08 -0.86 -1.21 114.38 121.75 3jpq h ARG 40 Ca 0.15 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3jpq h ARG 40 Cb 0.36 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3jpq h ARG 40 CO 0.01 0.91 0.06 -0.22 -1.07 0.00 0.00 179.97 179.66 3jpq h LYS 41 N 1.21 0.68 -0.27 0.04 3.64 -0.73 -0.34 116.57 120.80 3jpq h LYS 41 Ca 0.30 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3jpq h LYS 41 Cb 0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3jpq h LYS 41 CO -0.04 0.73 0.15 0.00 -2.27 0.00 0.00 179.45 178.02 3jpq h ALA 42 N 0.92 0.33 -0.66 5.00 0.00 -1.02 -1.11 119.26 122.73 3jpq h ALA 42 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3jpq h ALA 42 Cb 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3jpq h ALA 42 CO 0.01 -0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.45 3jpq h ALA 43 N 1.12 0.83 0.39 0.00 0.00 -1.08 -1.38 119.26 119.15 3jpq h ALA 43 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jpq h ALA 43 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3jpq h ALA 43 CO -0.05 0.28 -0.28 1.03 0.00 0.00 0.00 179.25 180.23 3jpq h SER 44 N 0.89 -0.72 -0.07 0.00 0.87 -0.60 0.20 113.55 114.12 3jpq h SER 44 Ca 0.24 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3jpq h SER 44 Cb -0.07 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3jpq h SER 44 CO -0.05 -0.43 -0.05 1.62 -0.53 0.00 0.00 176.83 177.40 3jpq h VAL 45 N -0.66 1.15 -0.08 2.23 3.04 -1.10 -2.32 116.25 118.51 3jpq h VAL 45 Ca -0.04 -0.63 -0.20 0.00 -1.01 0.00 0.00 66.70 64.83 3jpq h VAL 45 Cb 0.56 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3jpq h VAL 45 CO 0.01 0.20 -0.79 0.40 -1.01 0.00 0.00 177.57 176.39 3jpq h ILE 46 N 0.29 1.36 0.00 3.17 2.04 -0.94 -2.59 117.51 120.85 3jpq h ILE 46 Ca 0.06 -2.17 -0.03 0.00 1.00 0.00 0.00 64.86 63.72 3jpq h ILE 46 Cb 0.27 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3jpq h ILE 46 CO 0.01 0.66 -0.15 0.00 0.00 0.00 0.00 178.15 178.67 3jpq h ALA 47 N 0.82 1.43 0.00 1.87 0.00 -0.08 -2.25 119.26 121.05 3jpq h ALA 47 Ca -0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3jpq h ALA 47 Cb 1.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3jpq h ALA 47 CO 0.14 0.19 -0.80 -0.22 0.00 0.00 0.00 179.25 178.56 3jpq h LYS 48 N 0.00 0.00 -6.37 0.00 3.64 -1.32 -3.47 116.57 109.05 3jpq h LYS 48 Ca -0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 3jpq h LYS 48 Cb 0.34 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3jpq h LYS 48 CO 0.02 0.43 1.11 0.98 -2.27 0.00 0.00 179.45 179.72 3jpq n TYR 49 N -3.11 2.44 1.65 1.91 9.36 -0.85 -4.89 117.16 123.68 3jpq n TYR 49 Ca -0.02 -0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3jpq n TYR 49 Cb 0.76 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 3jpq n TYR 49 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3jpq n PRO 50 N 6.36 0.97 -4.36 2.98 -0.04 -1.26 -4.83 135.00 134.83 3jpq n PRO 50 Ca 0.20 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 3jpq n PRO 50 Cb 0.34 -1.15 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 3jpq n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3jpq s HIS 51 N -1.70 1.60 -0.29 0.54 3.76 -1.26 -5.09 115.29 112.85 3jpq s HIS 51 Ca 0.00 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 3jpq s HIS 51 Cb 0.00 -0.91 -0.00 0.00 1.11 0.00 0.00 32.58 32.78 3jpq s HIS 51 CO 0.00 0.12 1.31 0.21 -0.85 0.00 0.00 174.74 175.53 3jpq s LYS 52 N -1.57 3.94 0.23 1.40 2.20 -1.26 -4.86 119.74 119.83 3jpq s LYS 52 Ca 0.04 1.29 -0.31 0.00 -0.36 0.00 0.00 55.97 56.64 3jpq s LYS 52 Cb -0.09 -3.87 -0.11 0.00 -1.51 0.00 0.00 37.83 32.24 3jpq s LYS 52 CO 0.03 -1.09 1.64 0.42 -0.36 0.00 0.00 175.35 175.99 3jpq s ILE 53 N 4.32 2.15 -0.23 5.43 1.01 -1.26 -4.92 121.20 127.70 3jpq s ILE 53 Ca 0.56 0.12 0.17 0.00 0.00 0.00 0.00 60.65 61.51 3jpq s ILE 53 Cb -0.17 -3.08 -0.25 0.00 0.01 0.00 0.00 42.46 38.97 3jpq s ILE 53 CO 0.22 0.01 0.47 0.29 0.00 0.00 0.00 174.94 175.94 3jpq n LYS 54 N 3.25 0.76 -3.64 2.79 5.02 -1.26 -5.05 118.16 120.02 3jpq n LYS 54 Ca 0.12 -0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 3jpq n LYS 54 Cb 0.37 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.97 3jpq n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jpq s SER 55 N -3.64 -0.35 0.31 4.39 1.04 -1.26 -5.02 113.70 109.17 3jpq s SER 55 Ca -0.03 -0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.20 3jpq s SER 55 Cb 0.12 0.57 0.51 0.00 0.10 0.00 0.00 66.02 67.32 3jpq s SER 55 CO 0.72 -1.00 1.74 1.23 0.98 0.00 0.00 173.24 176.91 3jpq h GLY 56 N 2.00 0.24 0.99 7.32 0.00 -1.86 -2.27 103.07 109.50 3jpq h GLY 56 Ca -0.25 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3jpq h GLY 56 CO 0.29 0.20 0.21 0.00 0.00 0.00 0.00 176.54 177.24 3jpq h ALA 57 N 1.42 0.42 -0.46 3.60 0.00 -1.95 0.27 119.26 122.56 3jpq h ALA 57 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jpq h ALA 57 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3jpq h ALA 57 CO 0.06 -0.10 0.30 1.49 0.00 0.00 0.00 179.25 181.00 3jpq h GLU 58 N 0.43 0.60 -0.19 0.00 4.81 -1.88 -2.38 114.58 115.97 3jpq h GLU 58 Ca 0.12 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3jpq h GLU 58 Cb -0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3jpq h GLU 58 CO -0.02 0.40 -0.21 0.00 -0.73 0.00 0.00 179.01 178.44 3jpq h ALA 59 N 1.17 1.28 0.00 2.92 0.00 -0.96 -2.60 119.26 121.07 3jpq h ALA 59 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3jpq h ALA 59 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3jpq h ALA 59 CO -0.04 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 179.47 3jpq h LYS 60 N 0.31 0.00 0.00 0.00 3.64 0.07 -1.34 116.57 119.25 3jpq h LYS 60 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3jpq h LYS 60 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3jpq h LYS 60 CO 0.04 0.00 -0.14 0.87 -2.27 0.00 0.00 179.45 177.95 3jpq h LYS 61 N 0.00 0.00 -6.76 1.90 1.57 -1.37 -3.44 116.57 108.47 3jpq h LYS 61 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3jpq h LYS 61 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3jpq h LYS 61 CO 0.00 0.14 0.28 -0.51 -0.57 0.00 0.00 179.45 178.79 3jpq s LEU 62 N -6.60 4.42 -0.03 2.94 1.43 -0.51 -5.01 118.68 115.33 3jpq s LEU 62 Ca 0.01 1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 3jpq s LEU 62 Cb 0.10 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3jpq s LEU 62 CO 0.60 0.02 1.42 -2.16 0.23 0.00 0.00 176.35 176.46 3jpq s PRO 63 N -1.79 4.26 0.00 1.29 0.04 -1.26 -2.40 135.00 135.15 3jpq s PRO 63 Ca 0.46 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3jpq s PRO 63 Cb -0.20 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.68 3jpq s PRO 63 CO 0.25 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.07 3jpq n GLY 64 N 3.71 1.89 3.37 0.56 0.00 -1.26 -4.85 105.19 108.60 3jpq n GLY 64 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3jpq n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpq s VAL 65 N -2.15 4.09 0.00 1.61 1.01 -1.01 -4.28 120.40 119.68 3jpq s VAL 65 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3jpq s VAL 65 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3jpq s VAL 65 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3jpq n GLY 66 N 4.89 3.44 0.20 4.51 0.00 -1.26 -4.63 105.19 112.35 3jpq n GLY 66 Ca -0.15 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 3jpq n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jpq h THR 67 N 0.00 1.27 0.12 2.61 2.02 -1.98 -2.09 112.91 114.86 3jpq h THR 67 Ca 0.00 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 3jpq h THR 67 Cb 0.00 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3jpq h THR 67 CO 0.00 0.35 -0.06 0.11 0.37 0.00 0.00 175.52 176.30 3jpq h LYS 68 N 0.44 -0.15 -0.34 6.66 1.79 -1.99 -1.04 116.57 121.94 3jpq h LYS 68 Ca 0.09 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.48 3jpq h LYS 68 Cb 0.52 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 3jpq h LYS 68 CO 0.03 -0.04 -0.16 0.82 -1.08 0.00 0.00 179.45 179.02 3jpq h ILE 69 N -0.22 1.25 -0.46 1.86 2.04 -1.95 -2.02 117.51 118.00 3jpq h ILE 69 Ca -0.02 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.68 3jpq h ILE 69 Cb 0.18 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3jpq h ILE 69 CO 0.03 0.39 0.30 0.00 0.00 0.00 0.00 178.15 178.86 3jpq h ALA 70 N 1.27 0.59 -0.60 1.87 0.00 -1.17 0.13 119.26 121.35 3jpq h ALA 70 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3jpq h ALA 70 Cb 0.60 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3jpq h ALA 70 CO 0.04 0.02 0.26 0.93 0.00 0.00 0.00 179.25 180.50 3jpq h GLU 71 N 0.61 0.86 -0.44 0.00 5.08 -0.84 -1.56 114.58 118.28 3jpq h GLU 71 Ca 0.17 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3jpq h GLU 71 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3jpq h GLU 71 CO -0.05 0.69 -0.12 0.87 -1.00 0.00 0.00 179.01 179.40 3jpq h LYS 72 N 0.85 0.86 -0.52 2.33 1.57 -0.62 -2.06 116.57 118.99 3jpq h LYS 72 Ca 0.21 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3jpq h LYS 72 Cb 0.14 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3jpq h LYS 72 CO -0.02 0.98 0.20 0.82 -0.57 0.00 0.00 179.45 180.85 3jpq h ILE 73 N 0.70 1.19 -0.47 1.86 2.04 -0.31 0.15 117.51 122.67 3jpq h ILE 73 Ca 0.11 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 3jpq h ILE 73 Cb 0.66 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3jpq h ILE 73 CO 0.05 0.24 0.04 0.44 0.00 0.00 0.00 178.15 178.92 3jpq h ASP 74 N 0.75 0.79 -0.60 1.72 3.32 -1.01 -0.20 116.42 121.18 3jpq h ASP 74 Ca 0.18 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3jpq h ASP 74 Cb 0.16 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3jpq h ASP 74 CO -0.02 0.87 0.19 -0.08 -1.72 0.00 0.00 179.24 178.49 3jpq h GLU 75 N 0.67 0.94 -0.39 3.56 4.81 -0.75 -0.76 114.58 122.65 3jpq h GLU 75 Ca 0.14 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3jpq h GLU 75 Cb 0.45 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3jpq h GLU 75 CO 0.02 0.83 0.14 0.35 -0.73 0.00 0.00 179.01 179.61 3jpq h PHE 76 N 0.86 0.61 -0.58 0.92 3.57 -0.78 -0.01 116.94 121.53 3jpq h PHE 76 Ca 0.20 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3jpq h PHE 76 Cb 0.28 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3jpq h PHE 76 CO 0.02 0.57 0.14 -0.07 -2.23 0.00 0.00 178.31 176.73 3jpq h LEU 77 N 0.48 0.85 -0.36 0.59 3.38 -0.88 1.05 115.31 120.43 3jpq h LEU 77 Ca 0.13 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3jpq h LEU 77 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3jpq h LEU 77 CO -0.01 0.83 -0.83 0.00 0.09 0.00 0.00 178.44 178.53 3jpq h ALA 78 N 1.28 0.62 0.00 1.53 0.00 -0.91 -3.38 119.26 118.40 3jpq h ALA 78 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3jpq h ALA 78 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jpq h ALA 78 CO 0.00 0.98 -0.35 0.25 0.00 0.00 0.00 179.25 180.12 3jpq n THR 79 N -3.61 0.00 -0.85 0.00 -2.24 -0.04 -5.01 114.28 102.54 3jpq n THR 79 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3jpq n THR 79 Cb 0.78 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3jpq n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jpq n GLY 80 N 1.42 0.65 3.79 3.38 0.00 0.36 -4.99 105.19 109.80 3jpq n GLY 80 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3jpq n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jpq s LYS 81 N -0.15 2.09 -0.09 1.61 -2.85 -1.24 -5.01 119.74 114.10 3jpq s LYS 81 Ca 0.00 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 3jpq s LYS 81 Cb 0.00 0.60 0.02 0.00 -2.06 0.00 0.00 37.83 36.39 3jpq s LYS 81 CO 0.00 -0.96 -0.08 -1.17 0.10 0.00 0.00 175.35 173.23 3jpq s LEU 82 N -3.05 1.31 0.23 2.77 2.96 -1.26 -3.53 118.68 118.11 3jpq s LEU 82 Ca 0.16 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 3jpq s LEU 82 Cb -0.05 -0.79 0.23 0.00 0.50 0.00 0.00 46.19 46.08 3jpq s LEU 82 CO 0.11 -0.07 1.90 0.03 -1.32 0.00 0.00 176.35 177.00 3jpq h ARG 83 N 7.73 1.17 -1.00 1.98 3.08 -1.99 -1.26 114.38 124.09 3jpq h ARG 83 Ca -0.30 -0.07 0.11 0.00 0.07 0.00 0.00 59.98 59.78 3jpq h ARG 83 Cb 1.15 -0.26 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 3jpq h ARG 83 CO 0.43 0.77 0.63 -0.22 -1.07 0.00 0.00 179.97 180.51 3jpq h LYS 84 N 1.20 1.01 -0.01 0.04 3.64 -2.00 -1.42 116.57 119.04 3jpq h LYS 84 Ca 0.34 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.42 3jpq h LYS 84 Cb -0.11 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.49 3jpq h LYS 84 CO -0.08 0.67 -0.95 -0.07 -2.27 0.00 0.00 179.45 176.75 3jpq h LEU 85 N 1.04 0.62 -0.80 5.20 3.38 -1.85 -2.63 115.31 120.27 3jpq h LEU 85 Ca 0.48 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3jpq h LEU 85 Cb 0.41 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3jpq h LEU 85 CO -0.24 1.29 0.49 -0.33 0.09 0.00 0.00 178.44 179.73 3jpq h GLU 86 N 0.27 0.88 -0.37 1.13 4.39 -0.29 0.27 114.58 120.87 3jpq h GLU 86 Ca -0.09 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 3jpq h GLU 86 Cb 1.59 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3jpq h GLU 86 CO 0.17 0.59 -0.31 -0.22 -1.16 0.00 0.00 179.01 178.07 3jpq h LYS 87 N 0.91 0.86 -0.66 2.33 3.64 -1.32 -2.84 116.57 119.49 3jpq h LYS 87 Ca 0.34 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3jpq h LYS 87 Cb 0.13 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3jpq h LYS 87 CO -0.16 1.08 0.42 0.82 -2.27 0.00 0.00 179.45 179.34 3jpq h ILE 88 N 0.66 1.18 0.00 2.00 2.04 -1.01 -1.57 117.51 120.81 3jpq h ILE 88 Ca 0.07 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3jpq h ILE 88 Cb 0.89 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3jpq h ILE 88 CO 0.08 0.18 -0.09 0.03 0.00 0.00 0.00 178.15 178.35 3jpq h ARG 89 N 0.90 0.00 0.00 2.37 3.08 -0.88 -2.07 114.38 117.79 3jpq h ARG 89 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3jpq h ARG 89 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3jpq h ARG 89 CO -0.05 0.09 -0.79 1.96 -1.07 0.00 0.00 179.97 180.11 3jpq h GLN 90 N 0.00 0.00 -6.32 0.04 4.20 -1.11 -3.45 115.11 108.47 3jpq h GLN 90 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 3jpq h GLN 90 Cb 0.26 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3jpq h GLN 90 CO 0.01 0.00 0.95 0.34 -0.67 0.00 0.00 178.83 179.46 3jpq s ASP 91 N -4.72 6.74 0.16 1.46 2.15 -0.67 -4.93 116.67 116.86 3jpq s ASP 91 Ca 0.03 1.25 -0.15 0.00 0.43 0.00 0.00 52.55 54.11 3jpq s ASP 91 Cb 0.12 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.23 3jpq s ASP 91 CO 0.75 -1.01 1.81 0.44 -0.17 0.00 0.00 175.17 176.99 3jpq h ASP 92 N 8.99 0.53 -0.24 -0.34 3.32 -1.87 -0.70 116.42 126.11 3jpq h ASP 92 Ca -0.25 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3jpq h ASP 92 Cb 1.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3jpq h ASP 92 CO 1.03 0.40 0.14 0.74 -1.72 0.00 0.00 179.24 179.82 3jpq h THR 93 N 0.61 1.10 -0.84 0.35 2.02 -1.95 0.31 112.91 114.52 3jpq h THR 93 Ca 0.17 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3jpq h THR 93 Cb -0.05 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3jpq h THR 93 CO -0.03 0.10 0.44 0.28 0.37 0.00 0.00 175.52 176.67 3jpq h SER 94 N 0.29 1.06 -0.42 4.18 0.02 -1.83 -0.61 113.55 116.24 3jpq h SER 94 Ca 0.09 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3jpq h SER 94 Cb 0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3jpq h SER 94 CO -0.02 0.86 0.05 0.28 -1.14 0.00 0.00 176.83 176.87 3jpq h SER 95 N 1.17 0.68 -0.25 3.07 0.02 -0.69 -0.62 113.55 116.93 3jpq h SER 95 Ca 0.29 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3jpq h SER 95 Cb 0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3jpq h SER 95 CO -0.04 0.79 0.09 0.28 -1.14 0.00 0.00 176.83 176.81 3jpq h SER 96 N 0.56 0.36 -0.13 3.07 0.02 -0.09 -1.48 113.55 115.86 3jpq h SER 96 Ca 0.13 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3jpq h SER 96 Cb 0.41 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3jpq h SER 96 CO 0.01 0.44 0.07 0.40 -1.14 0.00 0.00 176.83 176.61 3jpq h ILE 97 N 0.25 1.11 -0.47 3.27 2.04 -1.06 -1.55 117.51 121.11 3jpq h ILE 97 Ca 0.08 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3jpq h ILE 97 Cb 0.20 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3jpq h ILE 97 CO -0.01 0.10 0.13 0.78 0.00 0.00 0.00 178.15 179.16 3jpq h ASN 98 N 0.10 0.10 0.47 1.72 2.35 -1.02 -2.42 115.58 116.87 3jpq h ASN 98 Ca 0.04 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3jpq h ASN 98 Cb 0.10 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3jpq h ASN 98 CO -0.01 0.09 -0.28 0.15 -1.65 0.00 0.00 177.43 175.73 3jpq h PHE 99 N 0.29 -0.74 -0.91 1.19 3.57 -1.02 -2.98 116.94 116.34 3jpq h PHE 99 Ca 0.23 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.90 3jpq h PHE 99 Cb 0.26 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 3jpq h PHE 99 CO -0.18 -0.43 0.59 -0.07 -2.23 0.00 0.00 178.31 175.98 3jpq h LEU 100 N -0.71 0.53 0.00 0.59 3.38 -1.07 0.91 115.31 118.94 3jpq h LEU 100 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jpq h LEU 100 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3jpq h LEU 100 CO 0.06 0.23 0.00 0.35 0.09 0.00 0.00 178.44 179.16 3jpq n THR 101 N -4.56 1.28 0.58 0.22 -2.24 -0.93 -1.72 114.28 106.91 3jpq n THR 101 Ca 0.19 0.32 0.12 0.00 -2.27 0.00 0.00 64.05 62.42 3jpq n THR 101 Cb 0.61 -1.15 0.45 0.00 -2.10 0.00 0.00 70.33 68.14 3jpq n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jpq n ARG 102 N -1.49 0.20 -2.89 -0.78 1.74 0.32 -4.66 116.66 109.10 3jpq n ARG 102 Ca 0.03 0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 56.96 3jpq n ARG 102 Cb 0.12 -1.79 -0.04 0.00 -1.02 0.00 0.00 32.46 29.73 3jpq n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jpq s VAL 103 N -3.16 4.91 0.23 1.55 1.01 -0.70 -4.99 120.40 119.25 3jpq s VAL 103 Ca 0.09 1.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.42 3jpq s VAL 103 Cb 0.12 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 3jpq s VAL 103 CO 0.51 0.09 1.70 -0.24 0.00 0.00 0.00 175.10 177.16 3jpq n SER 104 N 4.73 3.97 0.00 3.32 2.88 -1.26 -1.54 113.62 125.71 3jpq n SER 104 Ca 0.04 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3jpq n SER 104 Cb 0.50 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 3jpq n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3jpq n GLY 105 N 3.54 3.13 3.49 0.46 0.00 -1.26 -4.04 105.19 110.51 3jpq n GLY 105 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3jpq n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpq s ILE 106 N -2.81 5.15 0.15 -0.61 1.01 -0.59 -4.74 121.20 118.76 3jpq s ILE 106 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3jpq s ILE 106 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.78 3jpq s ILE 106 CO 0.00 -0.09 0.17 0.61 0.00 0.00 0.00 174.94 175.63 3jpq n GLY 107 N 5.10 2.34 0.24 6.18 0.00 -1.26 -4.30 105.19 113.49 3jpq n GLY 107 Ca -0.12 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.74 3jpq n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jpq h PRO 108 N 0.00 0.29 0.19 1.61 0.11 -1.87 0.56 132.00 132.89 3jpq h PRO 108 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3jpq h PRO 108 Cb 0.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3jpq h PRO 108 CO 0.12 0.19 -0.09 1.03 -0.21 0.00 0.00 178.00 179.04 3jpq h SER 109 N 0.30 -0.21 -0.90 -2.05 0.87 -1.95 -2.21 113.55 107.39 3jpq h SER 109 Ca 0.33 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3jpq h SER 109 Cb 0.50 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 3jpq h SER 109 CO -0.40 0.07 0.52 0.00 -0.53 0.00 0.00 176.83 176.48 3jpq h ALA 110 N 0.24 1.16 0.05 6.23 0.00 -1.89 -1.49 119.26 123.56 3jpq h ALA 110 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3jpq h ALA 110 Cb 0.39 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3jpq h ALA 110 CO 0.04 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.82 3jpq h ALA 111 N 1.28 -0.17 -0.81 0.00 0.00 -0.83 0.10 119.26 118.84 3jpq h ALA 111 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3jpq h ALA 111 Cb -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3jpq h ALA 111 CO -0.06 -0.62 0.46 -0.09 0.00 0.00 0.00 179.25 178.94 3jpq h ARG 112 N -0.22 1.11 -0.34 0.00 2.43 -1.17 -0.62 114.38 115.57 3jpq h ARG 112 Ca 0.03 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3jpq h ARG 112 Cb 0.25 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3jpq h ARG 112 CO -0.08 0.80 0.08 -0.22 -1.51 0.00 0.00 179.97 179.04 3jpq h LYS 113 N 1.12 0.54 -0.27 0.20 3.64 -0.76 -1.16 116.57 119.88 3jpq h LYS 113 Ca 0.29 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3jpq h LYS 113 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3jpq h LYS 113 CO -0.05 0.60 0.17 0.74 -2.27 0.00 0.00 179.45 178.64 3jpq h PHE 114 N 0.39 0.35 -0.87 1.91 0.04 -0.40 -1.68 116.94 116.68 3jpq h PHE 114 Ca 0.10 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.98 3jpq h PHE 114 Cb 0.31 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 3jpq h PHE 114 CO 0.02 0.26 0.56 0.28 -0.60 0.00 0.00 178.31 178.83 3jpq h VAL 115 N 0.35 0.95 -0.47 -0.55 2.07 -0.96 0.85 116.25 118.50 3jpq h VAL 115 Ca 0.10 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3jpq h VAL 115 Cb 0.00 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 3jpq h VAL 115 CO -0.02 0.15 0.10 0.44 0.02 0.00 0.00 177.57 178.27 3jpq h ASP 116 N 0.84 0.66 0.07 0.57 3.32 -0.35 -2.03 116.42 119.49 3jpq h ASP 116 Ca 0.41 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3jpq h ASP 116 Cb 0.45 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3jpq h ASP 116 CO -0.17 0.66 -0.01 -0.62 -1.72 0.00 0.00 179.24 177.38 3jpq n GLU 117 N -4.29 1.01 -0.39 3.56 1.02 0.15 -4.89 120.64 116.82 3jpq n GLU 117 Ca 0.03 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3jpq n GLU 117 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3jpq n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jpq n GLY 118 N 1.07 0.72 3.45 0.62 0.00 -0.76 -5.02 105.19 105.26 3jpq n GLY 118 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 3jpq n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpq s ILE 119 N -2.61 4.72 0.00 -0.61 1.01 -0.38 -4.84 121.20 118.49 3jpq s ILE 119 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3jpq s ILE 119 Cb 0.00 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 38.05 3jpq s ILE 119 CO 0.00 -0.99 0.14 0.29 0.00 0.00 0.00 174.94 174.38 3jpq n LYS 120 N 6.60 2.04 -4.41 2.79 5.02 -1.26 -2.96 118.16 125.98 3jpq n LYS 120 Ca -0.05 -0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 3jpq n LYS 120 Cb 0.45 -0.54 -0.09 0.00 -0.02 0.00 0.00 35.03 34.83 3jpq n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3jpq s THR 121 N -0.33 0.62 0.23 -0.18 -4.23 -1.26 -4.84 115.64 105.64 3jpq s THR 121 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3jpq s THR 121 Cb 0.00 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.50 3jpq s THR 121 CO 0.00 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.19 3jpq h LEU 122 N 2.10 1.08 -0.53 4.79 5.85 -1.99 -1.02 115.31 125.59 3jpq h LEU 122 Ca -0.36 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3jpq h LEU 122 Cb 1.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3jpq h LEU 122 CO 0.58 0.85 0.33 -0.08 -0.34 0.00 0.00 178.44 179.79 3jpq h GLU 123 N 1.22 0.71 -0.32 1.25 4.81 -1.99 -0.92 114.58 119.33 3jpq h GLU 123 Ca 0.31 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3jpq h GLU 123 Cb -0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3jpq h GLU 123 CO -0.05 0.50 0.21 -0.44 -0.73 0.00 0.00 179.01 178.49 3jpq h ASP 124 N 0.71 0.38 -0.45 1.04 3.32 -1.76 -2.61 116.42 117.05 3jpq h ASP 124 Ca 0.19 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.25 3jpq h ASP 124 Cb -0.04 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3jpq h ASP 124 CO -0.04 0.28 0.26 -0.07 -1.72 0.00 0.00 179.24 177.95 3jpq h LEU 125 N 0.44 0.40 -1.57 1.55 3.38 -0.83 -2.30 115.31 116.38 3jpq h LEU 125 Ca 0.12 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3jpq h LEU 125 Cb -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3jpq h LEU 125 CO -0.02 0.29 0.25 0.03 0.09 0.00 0.00 178.44 179.07 3jpq h ARG 126 N 0.51 0.54 -0.01 1.13 3.08 -0.90 -1.44 114.38 117.29 3jpq h ARG 126 Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3jpq h ARG 126 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3jpq h ARG 126 CO -0.10 0.37 -0.21 0.36 -1.07 0.00 0.00 179.97 179.32 3jpq n LYS 127 N -4.46 0.76 -1.21 0.04 2.85 -1.01 -3.96 118.16 111.19 3jpq n LYS 127 Ca 0.03 -0.40 -0.06 0.00 -1.05 0.00 0.00 58.31 56.83 3jpq n LYS 127 Cb 0.07 -1.49 0.13 0.00 -0.65 0.00 0.00 35.03 33.09 3jpq n LYS 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3jpq n ASN 128 N -0.77 2.96 -0.31 -5.58 3.02 -0.57 -4.82 115.26 109.20 3jpq n ASN 128 Ca 0.13 -3.79 0.12 0.00 -0.03 0.00 0.00 54.58 51.01 3jpq n ASN 128 Cb 0.33 -0.45 0.35 0.00 -0.61 0.00 0.00 39.78 39.39 3jpq n ASN 128 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3jpq h GLU 129 N 1.49 0.73 0.00 3.52 5.08 -1.62 -0.55 114.58 123.23 3jpq h GLU 129 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3jpq h GLU 129 Cb 1.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3jpq h GLU 129 CO 0.30 0.49 0.05 0.38 -1.00 0.00 0.00 179.01 179.23 3jpq h ASP 130 N 0.76 0.00 -0.28 1.42 2.03 -1.90 -0.11 116.42 118.34 3jpq h ASP 130 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 3jpq h ASP 130 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3jpq h ASP 130 CO -0.25 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.25 3jpq n LYS 131 N -2.62 2.04 -4.30 4.15 5.02 -0.21 -4.91 118.16 117.34 3jpq n LYS 131 Ca -0.02 -1.58 -0.32 0.00 -2.02 0.00 0.00 58.31 54.37 3jpq n LYS 131 Cb 0.10 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 3jpq n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jpq s LEU 132 N -1.47 3.39 0.99 -0.35 1.43 -0.06 -5.13 118.68 117.49 3jpq s LEU 132 Ca 0.34 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 3jpq s LEU 132 Cb 0.19 -1.99 0.22 0.00 0.03 0.00 0.00 46.19 44.64 3jpq s LEU 132 CO 0.27 0.26 1.34 0.54 0.23 0.00 0.00 176.35 178.99 3jpq s ASN 133 N -1.70 2.88 0.11 2.29 2.20 -1.26 -4.77 114.94 114.69 3jpq s ASN 133 Ca 0.20 0.19 -0.32 0.00 -0.94 0.00 0.00 52.86 52.00 3jpq s ASN 133 Cb -0.11 -0.16 -0.11 0.00 -2.00 0.00 0.00 41.25 38.86 3jpq s ASN 133 CO 0.11 -2.87 1.59 -0.74 -2.94 0.00 0.00 177.10 172.24 3jpq h HIS 134 N -1.74 -1.21 -0.34 1.54 -0.00 -1.98 -1.65 115.15 109.77 3jpq h HIS 134 Ca -0.44 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.03 3jpq h HIS 134 Cb 1.22 0.50 -0.07 0.00 -0.00 0.00 0.00 27.41 29.06 3jpq h HIS 134 CO -1.39 -0.54 -0.15 1.25 -0.00 0.00 0.00 177.93 177.10 3jpq h HIS 135 N -0.70 -0.35 -0.54 5.26 -0.00 -1.89 -1.24 115.15 115.69 3jpq h HIS 135 Ca 0.01 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 3jpq h HIS 135 Cb 0.71 0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.29 3jpq h HIS 135 CO -0.35 -0.22 0.36 1.96 -0.00 0.00 0.00 177.93 179.68 3jpq h GLN 136 N -0.08 0.64 -0.65 5.26 4.20 -1.66 -0.96 115.11 121.86 3jpq h GLN 136 Ca 0.17 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 3jpq h GLN 136 Cb 0.35 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3jpq h GLN 136 CO -0.40 0.42 0.09 -0.09 -0.67 0.00 0.00 178.83 178.18 3jpq h ARG 137 N 0.66 1.08 -0.04 1.46 2.43 -0.26 -0.93 114.38 118.78 3jpq h ARG 137 Ca 0.21 -0.29 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 3jpq h ARG 137 Cb 0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3jpq h ARG 137 CO -0.05 1.00 -0.74 0.82 -1.51 0.00 0.00 179.97 179.49 3jpq h ILE 138 N 1.01 1.43 -0.65 1.20 1.08 -0.86 -2.15 117.51 118.56 3jpq h ILE 138 Ca 0.20 -2.26 -0.06 0.00 -0.39 0.00 0.00 64.86 62.35 3jpq h ILE 138 Cb 0.45 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 3jpq h ILE 138 CO 0.02 0.67 0.18 1.23 -0.69 0.00 0.00 178.15 179.55 3jpq h GLY 139 N 1.58 1.09 0.83 5.37 0.00 -0.77 -2.15 103.07 109.01 3jpq h GLY 139 Ca -0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 3jpq h GLY 139 CO 0.12 0.60 -0.22 -2.00 0.00 0.00 0.00 176.54 175.04 3jpq h LEU 140 N 0.97 0.52 -0.78 3.11 5.85 -1.10 -1.66 115.31 122.22 3jpq h LEU 140 Ca 0.21 -0.50 0.14 0.00 0.84 0.00 0.00 57.88 58.57 3jpq h LEU 140 Cb 0.31 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 3jpq h LEU 140 CO -0.00 0.91 0.35 0.50 -0.34 0.00 0.00 178.44 179.86 3jpq h LYS 141 N 0.14 0.50 -0.45 1.25 3.64 -1.11 -2.21 116.57 118.35 3jpq h LYS 141 Ca 0.03 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3jpq h LYS 141 Cb 0.78 -0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 3jpq h LYS 141 CO 0.05 0.33 0.07 0.66 -2.27 0.00 0.00 179.45 178.29 3jpq n TYR 142 N -4.94 1.43 -0.11 1.91 4.01 -0.84 -4.77 117.16 113.86 3jpq n TYR 142 Ca 0.15 -1.44 -0.07 0.00 -0.16 0.00 0.00 57.90 56.37 3jpq n TYR 142 Cb 0.41 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 3jpq n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3jpq h PHE 143 N 1.31 -0.81 -0.18 -0.72 3.57 -0.63 0.41 116.94 119.88 3jpq h PHE 143 Ca 0.23 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3jpq h PHE 143 Cb 1.83 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.97 3jpq h PHE 143 CO 1.01 -0.36 0.10 0.78 -2.23 0.00 0.00 178.31 177.60 3jpq h GLY 144 N -0.24 0.28 0.82 2.40 0.00 -1.86 -3.10 103.07 101.38 3jpq h GLY 144 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3jpq h GLY 144 CO -0.51 0.12 0.33 -0.55 0.00 0.00 0.00 176.54 175.93 3jpq h ASP 145 N 0.18 0.52 0.27 0.19 3.32 -1.73 -1.81 116.42 117.35 3jpq h ASP 145 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3jpq h ASP 145 Cb 0.08 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3jpq h ASP 145 CO -0.01 0.36 0.00 0.49 -1.72 0.00 0.00 179.24 178.36 3jpq n PHE 146 N -4.79 0.00 0.09 4.55 3.72 0.08 -1.31 117.46 119.79 3jpq n PHE 146 Ca 0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.47 3jpq n PHE 146 Cb 0.10 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 3jpq n PHE 146 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jpq h GLU 147 N 0.00 0.00 -6.98 -1.08 4.39 -1.26 -3.47 114.58 106.18 3jpq h GLU 147 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3jpq h GLU 147 Cb 0.13 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3jpq h GLU 147 CO 0.00 0.38 0.42 0.15 -1.16 0.00 0.00 179.01 178.79 3jpq s LYS 148 N -2.96 4.07 0.55 2.33 1.02 -0.43 -5.05 119.74 119.27 3jpq s LYS 148 Ca 0.00 1.52 -0.11 0.00 0.02 0.00 0.00 55.97 57.41 3jpq s LYS 148 Cb 0.08 -2.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 3jpq s LYS 148 CO 0.78 -0.22 0.94 1.03 -0.92 0.00 0.00 175.35 176.96 3jpq s ARG 149 N -2.62 3.66 -0.24 1.68 1.81 -1.26 -4.88 118.95 117.10 3jpq s ARG 149 Ca 0.60 0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 55.20 3jpq s ARG 149 Cb -0.22 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 32.10 3jpq s ARG 149 CO 0.27 -0.39 -0.02 0.42 -0.68 0.00 0.00 175.30 174.91 3jpq s ILE 150 N -2.91 3.44 0.45 1.52 1.01 0.14 -4.94 121.20 119.90 3jpq s ILE 150 Ca 0.54 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 3jpq s ILE 150 Cb -0.11 -2.64 -0.08 0.00 0.01 0.00 0.00 42.46 39.64 3jpq s ILE 150 CO 0.46 0.31 1.34 -2.84 0.00 0.00 0.00 174.94 174.20 3jpq s PRO 151 N 1.46 3.72 0.36 2.79 0.02 -1.26 -0.73 135.00 141.36 3jpq s PRO 151 Ca 0.04 2.21 0.09 0.00 0.02 0.00 0.00 61.00 63.37 3jpq s PRO 151 Cb -0.15 -2.61 0.83 0.00 0.02 0.00 0.00 34.50 32.58 3jpq s PRO 151 CO -0.02 -0.71 1.88 -0.09 -0.33 0.00 0.00 177.00 177.73 3jpq h ARG 152 N 2.31 0.66 -0.88 5.54 2.43 -1.53 0.12 114.38 123.03 3jpq h ARG 152 Ca -0.50 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.70 3jpq h ARG 152 Cb 1.26 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 3jpq h ARG 152 CO 0.61 0.43 0.57 1.49 -1.51 0.00 0.00 179.97 181.57 3jpq h GLU 153 N 0.68 0.94 -0.03 0.20 4.81 -1.90 0.12 114.58 119.39 3jpq h GLU 153 Ca 0.43 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.43 3jpq h GLU 153 Cb 0.69 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3jpq h GLU 153 CO -0.19 0.62 -0.76 0.93 -0.73 0.00 0.00 179.01 178.88 3jpq h GLU 154 N 0.96 0.23 -0.58 1.92 5.08 -1.17 -2.88 114.58 118.14 3jpq h GLU 154 Ca 0.38 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3jpq h GLU 154 Cb 0.25 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3jpq h GLU 154 CO -0.15 0.88 0.18 0.52 -1.00 0.00 0.00 179.01 179.44 3jpq h MET 155 N 0.15 0.88 -0.59 2.33 2.86 0.14 -1.07 114.93 119.62 3jpq h MET 155 Ca -0.03 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3jpq h MET 155 Cb 1.33 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 3jpq h MET 155 CO 0.12 0.76 0.23 -0.07 1.06 0.00 0.00 176.91 179.01 3jpq h LEU 156 N 0.85 0.82 -0.76 1.22 3.38 -0.72 0.11 115.31 120.22 3jpq h LEU 156 Ca 0.19 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3jpq h LEU 156 Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3jpq h LEU 156 CO -0.01 0.77 0.13 1.56 0.09 0.00 0.00 178.44 180.98 3jpq h GLN 157 N 0.81 1.07 -0.59 1.13 4.20 -1.25 -0.79 115.11 119.69 3jpq h GLN 157 Ca 0.19 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3jpq h GLN 157 Cb 0.21 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3jpq h GLN 157 CO -0.01 0.96 0.08 0.52 -0.67 0.00 0.00 178.83 179.71 3jpq h MET 158 N 1.01 0.99 -0.33 1.46 2.86 -0.83 -2.24 114.93 117.84 3jpq h MET 158 Ca 0.21 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3jpq h MET 158 Cb 0.40 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3jpq h MET 158 CO 0.01 0.94 0.21 0.37 1.06 0.00 0.00 176.91 179.50 3jpq h GLN 159 N 0.89 0.45 -0.40 1.72 4.15 -0.41 -0.58 115.11 120.94 3jpq h GLN 159 Ca 0.18 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.62 3jpq h GLN 159 Cb 0.44 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 3jpq h GLN 159 CO 0.01 0.33 0.07 0.22 -1.93 0.00 0.00 178.83 177.53 3jpq h ASP 160 N 0.44 -0.01 0.11 -0.69 -0.00 -0.92 -0.38 116.42 114.96 3jpq h ASP 160 Ca 0.12 0.07 -0.01 0.00 -0.00 0.00 0.00 57.03 57.21 3jpq h ASP 160 Cb -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.42 3jpq h ASP 160 CO -0.02 0.03 -0.05 0.40 -0.00 0.00 0.00 179.24 179.60 3jpq h ILE 161 N 0.20 1.00 -0.39 2.25 2.04 -1.10 -1.60 117.51 119.90 3jpq h ILE 161 Ca 0.19 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3jpq h ILE 161 Cb 0.24 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3jpq h ILE 161 CO -0.26 0.10 0.25 0.58 0.00 0.00 0.00 178.15 178.82 3jpq h VAL 162 N -0.34 1.07 -0.21 1.67 2.07 -0.85 0.44 116.25 120.10 3jpq h VAL 162 Ca -0.01 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3jpq h VAL 162 Cb 0.28 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3jpq h VAL 162 CO 0.02 0.09 0.02 -0.07 0.02 0.00 0.00 177.57 177.66 3jpq h LEU 163 N 0.50 0.35 -0.85 2.57 4.07 -1.10 -1.11 115.31 119.74 3jpq h LEU 163 Ca 0.15 -0.28 -0.04 0.00 0.08 0.00 0.00 57.88 57.78 3jpq h LEU 163 Cb -0.03 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.58 3jpq h LEU 163 CO -0.05 0.54 0.32 0.78 -1.08 0.00 0.00 178.44 178.96 3jpq h ASN 164 N 0.14 1.07 -0.14 -0.43 2.35 -1.17 -0.73 115.58 116.68 3jpq h ASN 164 Ca 0.06 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.50 3jpq h ASN 164 Cb 0.35 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3jpq h ASN 164 CO 0.01 0.94 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.97 3jpq h GLU 165 N 1.14 0.69 -0.61 0.81 4.39 -0.83 -1.89 114.58 118.29 3jpq h GLU 165 Ca 0.26 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3jpq h GLU 165 Cb 0.20 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3jpq h GLU 165 CO -0.02 0.99 0.04 0.28 -1.16 0.00 0.00 179.01 179.13 3jpq h VAL 166 N 0.56 1.26 -0.92 3.13 2.07 -0.98 -2.66 116.25 118.72 3jpq h VAL 166 Ca 0.04 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3jpq h VAL 166 Cb 0.97 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3jpq h VAL 166 CO 0.09 0.40 0.61 0.50 0.02 0.00 0.00 177.57 179.19 3jpq h LYS 167 N 0.95 1.20 -0.39 1.57 3.64 -0.90 -1.82 116.57 120.82 3jpq h LYS 167 Ca 0.18 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3jpq h LYS 167 Cb 0.51 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3jpq h LYS 167 CO 0.02 0.79 0.19 0.87 -2.27 0.00 0.00 179.45 179.06 3jpq h LYS 168 N 1.23 0.54 0.24 1.90 1.57 -1.01 -3.01 116.57 118.04 3jpq h LYS 168 Ca 0.34 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3jpq h LYS 168 Cb -0.13 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.08 3jpq h LYS 168 CO -0.08 0.42 -0.12 0.28 -0.57 0.00 0.00 179.45 179.39 3jpq h VAL 169 N 0.55 0.76 -2.33 0.50 2.07 -1.09 -3.45 116.25 113.27 3jpq h VAL 169 Ca 0.14 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3jpq h VAL 169 Cb 0.06 1.18 -0.25 0.00 -1.52 0.00 0.00 31.29 30.76 3jpq h VAL 169 CO -0.02 0.16 -0.29 -0.62 0.02 0.00 0.00 177.57 176.82 3jpq s ASP 170 N -5.25 -0.56 0.42 0.57 -1.08 -0.94 -5.03 116.67 104.80 3jpq s ASP 170 Ca -0.13 1.19 0.27 0.00 -0.52 0.00 0.00 52.55 53.35 3jpq s ASP 170 Cb 0.01 1.68 1.48 0.00 -1.46 0.00 0.00 42.92 44.63 3jpq s ASP 170 CO 0.52 -0.23 1.82 0.77 0.52 0.00 0.00 175.17 178.57 3jpq h SER 171 N 8.11 0.00 0.54 -0.34 4.64 -1.78 -1.91 113.55 122.80 3jpq h SER 171 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3jpq h SER 171 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3jpq h SER 171 CO 0.11 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.27 3jpq n GLU 172 N -2.47 0.37 -2.10 4.77 1.02 -1.26 -4.86 120.64 116.11 3jpq n GLU 172 Ca -0.02 -0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 56.65 3jpq n GLU 172 Cb 0.08 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 3jpq n GLU 172 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3jpq s TYR 173 N -2.73 2.82 -0.11 -0.32 2.02 -0.72 -4.38 117.35 113.93 3jpq s TYR 173 Ca 0.21 1.54 -0.02 0.00 -0.37 0.00 0.00 57.07 58.43 3jpq s TYR 173 Cb 0.19 -3.13 0.04 0.00 -0.40 0.00 0.00 41.96 38.66 3jpq s TYR 173 CO 0.55 -1.33 0.01 0.42 -1.57 0.00 0.00 175.55 173.63 3jpq s ILE 174 N -2.18 0.39 -0.14 2.71 1.01 -0.66 -4.90 121.20 117.43 3jpq s ILE 174 Ca 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.24 3jpq s ILE 174 Cb -0.19 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3jpq s ILE 174 CO 0.33 0.12 -0.06 0.00 0.00 0.00 0.00 174.94 175.33 3jpq s ALA 175 N 1.95 2.94 -0.10 9.38 0.00 -1.26 -1.71 121.76 132.96 3jpq s ALA 175 Ca 0.03 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3jpq s ALA 175 Cb -0.14 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.54 3jpq s ALA 175 CO -0.06 0.26 -0.14 0.99 0.00 0.00 0.00 175.76 176.81 3jpq s THR 176 N 0.22 1.41 -0.19 0.00 2.01 0.34 -4.94 115.64 114.49 3jpq s THR 176 Ca -0.04 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 3jpq s THR 176 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3jpq s THR 176 CO 0.03 0.42 0.92 -0.69 -0.69 0.00 0.00 174.62 174.61 3jpq s VAL 177 N 0.96 4.80 0.00 3.82 1.01 -1.26 -0.13 120.40 129.61 3jpq s VAL 177 Ca -0.08 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3jpq s VAL 177 Cb -0.15 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3jpq s VAL 177 CO -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.04 3jpq n GLY 179 N 5.00 0.97 0.27 0.00 0.00 0.19 -2.37 105.19 109.25 3jpq n GLY 179 Ca 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3jpq n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jpq h SER 180 N 3.71 0.00 -0.37 1.61 4.64 -1.88 -2.55 113.55 118.71 3jpq h SER 180 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3jpq h SER 180 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3jpq h SER 180 CO 0.00 0.06 0.24 0.15 -0.87 0.00 0.00 176.83 176.41 3jpq h PHE 181 N 0.00 0.46 0.00 4.77 3.57 -1.83 -1.23 116.94 122.68 3jpq h PHE 181 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3jpq h PHE 181 Cb 0.13 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3jpq h PHE 181 CO 0.00 0.29 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.08 3jpq h ARG 182 N 0.49 0.00 -0.02 1.11 2.43 -1.07 -0.41 114.38 116.91 3jpq h ARG 182 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3jpq h ARG 182 Cb -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3jpq h ARG 182 CO -0.04 0.20 0.00 0.54 -1.51 0.00 0.00 179.97 179.16 3jpq n ARG 183 N -3.59 1.10 -1.02 0.20 1.74 -0.65 -4.56 116.66 109.89 3jpq n ARG 183 Ca -0.01 -0.15 -0.01 0.00 -0.77 0.00 0.00 57.85 56.91 3jpq n ARG 183 Cb 0.33 -1.34 -0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3jpq n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jpq n GLY 184 N 0.87 0.44 3.76 -0.13 0.00 -0.16 -3.81 105.19 106.16 3jpq n GLY 184 Ca 0.16 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3jpq n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jpq s ALA 185 N -2.02 2.97 -1.25 4.61 0.00 -0.56 -4.90 121.76 120.62 3jpq s ALA 185 Ca 0.00 1.24 0.23 0.00 0.00 0.00 0.00 51.96 53.43 3jpq s ALA 185 Cb 0.00 -3.51 1.11 0.00 0.00 0.00 0.00 23.12 20.71 3jpq s ALA 185 CO 0.00 -1.10 1.76 0.39 0.00 0.00 0.00 175.76 176.81 3jpq n GLU 186 N -0.62 0.20 -3.50 0.00 -0.58 -1.26 -4.74 120.64 110.13 3jpq n GLU 186 Ca 0.08 0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.74 3jpq n GLU 186 Cb 0.45 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.77 3jpq n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3jpq s SER 187 N -2.75 -0.60 0.11 1.62 1.04 -1.26 -1.41 113.70 110.46 3jpq s SER 187 Ca 0.18 0.51 0.04 0.00 0.48 0.00 0.00 55.95 57.15 3jpq s SER 187 Cb 0.15 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3jpq s SER 187 CO 0.38 -0.66 -0.10 -0.44 0.98 0.00 0.00 173.24 173.41 3jpq s SER 188 N -1.56 1.51 0.33 7.02 0.01 0.09 -4.89 113.70 116.21 3jpq s SER 188 Ca -0.07 -0.90 0.23 0.00 1.31 0.00 0.00 55.95 56.52 3jpq s SER 188 Cb -0.00 0.02 0.27 0.00 0.21 0.00 0.00 66.02 66.51 3jpq s SER 188 CO 0.04 -0.31 1.43 1.23 0.41 0.00 0.00 173.24 176.03 3jpq h GLY 189 N 3.25 0.00 -0.79 3.44 0.00 -1.89 0.39 103.07 107.47 3jpq h GLY 189 Ca -0.37 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.03 3jpq h GLY 189 CO 0.58 0.00 0.31 2.09 0.00 0.00 0.00 176.54 179.52 3jpq n ASP 190 N -2.84 -1.14 -4.29 0.19 5.68 -1.26 -4.67 116.55 108.23 3jpq n ASP 190 Ca 0.03 -1.65 -0.33 0.00 -0.50 0.00 0.00 54.79 52.34 3jpq n ASP 190 Cb 0.52 1.86 -0.16 0.00 -1.14 0.00 0.00 41.12 42.21 3jpq n ASP 190 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3jpq s MET 191 N -2.04 3.22 -0.17 0.11 -2.45 -0.80 -4.92 119.30 112.25 3jpq s MET 191 Ca 0.13 -0.77 -0.01 0.00 -1.25 0.00 0.00 55.69 53.78 3jpq s MET 191 Cb -0.02 -2.51 -0.00 0.00 1.25 0.00 0.00 34.83 33.55 3jpq s MET 191 CO 0.04 0.15 -0.12 -0.51 1.05 0.00 0.00 175.02 175.63 3jpq s ASP 192 N 0.47 3.85 -0.14 1.11 1.01 -1.26 -1.29 116.67 120.42 3jpq s ASP 192 Ca -0.12 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.72 3jpq s ASP 192 Cb -0.16 -1.61 0.01 0.00 1.01 0.00 0.00 42.92 42.17 3jpq s ASP 192 CO 0.05 0.06 -0.19 -0.69 0.21 0.00 0.00 175.17 174.61 3jpq s VAL 193 N 0.96 1.88 -0.12 -1.27 1.01 -0.10 -0.52 120.40 122.24 3jpq s VAL 193 Ca -0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 3jpq s VAL 193 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3jpq s VAL 193 CO -0.02 0.51 0.31 -0.22 0.00 0.00 0.00 175.10 175.69 3jpq s LEU 194 N 0.97 4.32 -0.02 3.92 2.96 0.82 -1.13 118.68 130.51 3jpq s LEU 194 Ca -0.05 0.62 0.06 0.00 -0.22 0.00 0.00 54.13 54.54 3jpq s LEU 194 Cb -0.15 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 3jpq s LEU 194 CO -0.04 0.19 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.77 3jpq s LEU 195 N -0.08 2.02 0.09 -0.68 2.96 0.18 -0.50 118.68 122.67 3jpq s LEU 195 Ca 0.18 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3jpq s LEU 195 Cb -0.14 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3jpq s LEU 195 CO 0.06 0.23 -0.06 0.42 -1.32 0.00 0.00 176.35 175.68 3jpq s THR 196 N -0.39 0.62 -0.22 3.68 -4.23 -0.69 -1.34 115.64 113.07 3jpq s THR 196 Ca 0.06 -1.84 -0.17 0.00 -1.18 0.00 0.00 61.69 58.56 3jpq s THR 196 Cb -0.08 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.26 3jpq s THR 196 CO -0.00 -0.84 0.57 -2.28 -0.54 0.00 0.00 174.62 171.52 3jpq s HIS 197 N -3.45 -0.72 0.59 3.99 2.46 -1.26 -1.65 115.29 115.25 3jpq s HIS 197 Ca 0.09 1.62 0.29 0.00 0.47 0.00 0.00 55.06 57.53 3jpq s HIS 197 Cb 0.04 0.32 1.54 0.00 -0.13 0.00 0.00 32.58 34.35 3jpq s HIS 197 CO -0.05 -0.36 1.97 -1.00 -2.47 0.00 0.00 174.74 172.83 3jpq h PRO 198 N 6.00 0.00 0.00 2.88 0.13 -1.99 -1.25 132.00 137.78 3jpq h PRO 198 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3jpq h PRO 198 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3jpq h PRO 198 CO 0.18 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 178.72 3jpq h SER 199 N 0.00 0.00 -3.75 1.44 0.02 -1.96 -3.41 113.55 105.90 3jpq h SER 199 Ca 0.16 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.43 3jpq h SER 199 Cb 0.92 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.12 3jpq h SER 199 CO -0.00 0.00 -0.70 0.12 -1.14 0.00 0.00 176.83 175.11 3jpq s PHE 200 N -3.38 3.33 0.36 3.45 5.36 -0.47 -1.13 117.98 125.50 3jpq s PHE 200 Ca 0.04 -2.07 0.04 0.00 -0.96 0.00 0.00 56.93 53.98 3jpq s PHE 200 Cb 0.09 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.48 3jpq s PHE 200 CO 0.47 -0.84 0.15 0.95 -1.46 0.00 0.00 175.22 174.49 3jpq s THR 201 N 1.20 0.51 -0.63 0.12 -4.23 -0.47 -1.43 115.64 110.71 3jpq s THR 201 Ca -0.03 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.69 3jpq s THR 201 Cb -0.20 -2.46 0.21 0.00 1.34 0.00 0.00 72.50 71.38 3jpq s THR 201 CO -0.02 0.00 1.63 -1.54 -0.54 0.00 0.00 174.62 174.15 3jpq n SER 202 N -1.12 0.47 -0.01 3.99 3.41 -1.26 -2.64 113.62 116.45 3jpq n SER 202 Ca -0.02 0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 59.10 3jpq n SER 202 Cb 0.65 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.74 3jpq n SER 202 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3jpq h GLU 203 N 0.00 0.05 -1.73 4.33 4.57 -1.99 -3.50 114.58 116.32 3jpq h GLU 203 Ca 0.00 -0.09 0.24 0.00 -1.18 0.00 0.00 59.36 58.33 3jpq h GLU 203 Cb 0.32 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 28.80 3jpq h GLU 203 CO 0.00 0.65 0.72 -1.54 -1.18 0.00 0.00 179.01 177.65 3jpq s SER 204 N -6.30 -0.16 -0.39 1.04 1.04 -1.08 -5.10 113.70 102.75 3jpq s SER 204 Ca -0.08 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.29 3jpq s SER 204 Cb 0.08 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.54 3jpq s SER 204 CO 0.82 -0.41 0.13 -0.89 0.98 0.00 0.00 173.24 173.86 3jpq s THR 205 N -2.66 2.54 -0.77 2.02 2.01 -1.26 -1.37 115.64 116.16 3jpq s THR 205 Ca 0.10 -2.50 0.26 0.00 0.31 0.00 0.00 61.69 59.86 3jpq s THR 205 Cb 0.01 -2.82 0.20 0.00 0.01 0.00 0.00 72.50 69.89 3jpq s THR 205 CO -0.04 -0.66 1.65 0.29 -0.69 0.00 0.00 174.62 175.17 3jpq n LYS 206 N 4.07 0.21 -4.11 4.92 5.02 -0.29 -4.81 118.16 123.17 3jpq n LYS 206 Ca 0.03 0.13 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 3jpq n LYS 206 Cb 0.40 -1.70 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 3jpq n LYS 206 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jpq s GLN 207 N -3.10 0.57 0.61 1.97 -0.21 -1.26 -5.09 119.66 113.14 3jpq s GLN 207 Ca 0.10 -0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.37 3jpq s GLN 207 Cb 0.14 -0.60 0.04 0.00 1.00 0.00 0.00 33.01 33.59 3jpq s GLN 207 CO 0.63 -0.02 0.86 -1.25 -2.12 0.00 0.00 175.29 173.39 3jpq s PRO 208 N 0.57 2.42 -1.39 2.91 0.04 -1.26 -4.38 135.00 133.92 3jpq s PRO 208 Ca -0.07 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.40 3jpq s PRO 208 Cb -0.10 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3jpq s PRO 208 CO -0.00 -0.90 0.00 1.63 0.04 0.00 0.00 177.00 177.76 3jpq n LYS 209 N -2.56 -1.89 -0.13 4.56 5.02 -1.26 -4.88 118.16 117.03 3jpq n LYS 209 Ca 0.08 0.78 -0.07 0.00 -2.02 0.00 0.00 58.31 57.08 3jpq n LYS 209 Cb 0.60 -5.34 0.01 0.00 -0.02 0.00 0.00 35.03 30.28 3jpq n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3jpq h LEU 210 N 0.00 0.40 -0.20 -0.35 3.38 -1.91 0.71 115.31 117.34 3jpq h LEU 210 Ca -0.36 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 3jpq h LEU 210 Cb 1.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3jpq h LEU 210 CO 0.44 0.29 -0.49 0.25 0.09 0.00 0.00 178.44 179.02 3jpq h LEU 211 N 0.49 0.79 -0.27 1.67 5.85 -1.90 -3.26 115.31 118.68 3jpq h LEU 211 Ca 0.16 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3jpq h LEU 211 Cb -0.01 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 3jpq h LEU 211 CO -0.07 1.21 -0.09 -0.74 -0.34 0.00 0.00 178.44 178.42 3jpq h HIS 212 N 0.40 -0.20 -0.60 1.25 2.76 -1.81 -1.39 115.15 115.55 3jpq h HIS 212 Ca -0.00 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.32 3jpq h HIS 212 Cb 1.11 0.13 -0.10 0.00 1.55 0.00 0.00 27.41 30.10 3jpq h HIS 212 CO 0.09 -0.15 0.01 1.96 -1.30 0.00 0.00 177.93 178.54 3jpq h GLN 213 N -0.03 0.12 -0.27 5.26 4.20 -0.92 0.13 115.11 123.60 3jpq h GLN 213 Ca 0.13 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3jpq h GLN 213 Cb 0.24 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3jpq h GLN 213 CO -0.30 0.08 0.04 0.28 -0.67 0.00 0.00 178.83 178.26 3jpq h VAL 214 N 0.12 1.23 -0.47 -0.54 2.07 -1.47 -1.69 116.25 115.50 3jpq h VAL 214 Ca 0.31 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3jpq h VAL 214 Cb 0.50 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3jpq h VAL 214 CO -0.51 0.26 0.28 0.58 0.02 0.00 0.00 177.57 178.20 3jpq h VAL 215 N 0.27 1.05 -0.37 2.57 2.07 -0.51 -1.67 116.25 119.65 3jpq h VAL 215 Ca 0.08 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3jpq h VAL 215 Cb 0.35 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3jpq h VAL 215 CO 0.01 0.10 0.08 -0.08 0.02 0.00 0.00 177.57 177.70 3jpq h GLU 216 N 0.56 0.20 -0.61 1.57 4.81 -0.64 -0.79 114.58 119.68 3jpq h GLU 216 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3jpq h GLU 216 Cb 0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3jpq h GLU 216 CO -0.09 0.13 0.33 0.37 -0.73 0.00 0.00 179.01 179.03 3jpq h GLN 217 N 0.20 0.85 0.00 1.92 5.75 -1.00 0.64 115.11 123.47 3jpq h GLN 217 Ca 0.17 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 3jpq h GLN 217 Cb 0.20 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3jpq h GLN 217 CO -0.22 0.65 -0.36 -0.07 -2.65 0.00 0.00 178.83 176.17 3jpq h LEU 218 N 0.82 0.00 -0.07 -2.39 3.38 -0.90 -2.11 115.31 114.05 3jpq h LEU 218 Ca 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.94 3jpq h LEU 218 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3jpq h LEU 218 CO -0.03 0.36 -1.05 1.56 0.09 0.00 0.00 178.44 179.37 3jpq h GLN 219 N 0.00 0.34 -0.77 1.13 4.20 -0.75 0.12 115.11 119.38 3jpq h GLN 219 Ca -0.00 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.32 3jpq h GLN 219 Cb 0.66 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 3jpq h GLN 219 CO 0.05 1.13 0.48 -0.22 -0.67 0.00 0.00 178.83 179.60 3jpq h LYS 220 N 0.16 0.89 -0.40 1.46 3.64 -0.24 -1.06 116.57 121.01 3jpq h LYS 220 Ca -0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3jpq h LYS 220 Cb 1.72 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 3jpq h LYS 220 CO 0.18 0.59 0.00 1.33 -2.27 0.00 0.00 179.45 179.27 3jpq n VAL 221 N -4.64 0.54 -1.64 2.00 0.24 -0.90 -4.91 118.33 109.03 3jpq n VAL 221 Ca 0.09 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 3jpq n VAL 221 Cb 0.12 0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 32.54 3jpq n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jpq n HIS 222 N 0.38 -0.18 -0.07 6.34 8.25 -0.40 -4.92 115.22 124.62 3jpq n HIS 222 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 3jpq n HIS 222 Cb 0.33 -2.66 -0.09 0.00 1.12 0.00 0.00 29.99 28.68 3jpq n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3jpq h PHE 223 N 0.00 0.00 -3.36 4.41 3.57 -1.02 -3.43 116.94 117.11 3jpq h PHE 223 Ca -0.30 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.64 3jpq h PHE 223 Cb 1.01 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 3jpq h PHE 223 CO 0.39 0.78 0.23 0.42 -2.23 0.00 0.00 178.31 177.90 3jpq s ILE 224 N -2.08 4.97 -0.04 1.41 1.01 -0.59 -0.89 121.20 124.98 3jpq s ILE 224 Ca -0.16 1.63 0.09 0.00 0.00 0.00 0.00 60.65 62.20 3jpq s ILE 224 Cb -0.01 -4.13 -0.13 0.00 0.01 0.00 0.00 42.46 38.21 3jpq s ILE 224 CO 0.49 0.17 0.13 0.35 0.00 0.00 0.00 174.94 176.09 3jpq n THR 225 N 4.06 0.25 -3.77 2.92 -2.24 0.04 -4.36 114.28 111.17 3jpq n THR 225 Ca 0.02 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 3jpq n THR 225 Cb 0.51 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3jpq n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jpq s ASP 226 N -3.47 -0.02 -0.11 3.42 1.11 -1.19 -4.99 116.67 111.43 3jpq s ASP 226 Ca -0.04 -0.51 0.02 0.00 0.18 0.00 0.00 52.55 52.21 3jpq s ASP 226 Cb 0.04 0.39 0.01 0.00 1.07 0.00 0.00 42.92 44.43 3jpq s ASP 226 CO 0.37 -0.76 -0.17 -0.89 1.18 0.00 0.00 175.17 174.90 3jpq s THR 227 N -3.74 1.59 -0.13 -1.27 2.01 -1.26 -0.97 115.64 111.86 3jpq s THR 227 Ca 0.03 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 3jpq s THR 227 Cb 0.03 -1.43 -0.25 0.00 0.01 0.00 0.00 72.50 70.86 3jpq s THR 227 CO -0.11 0.46 0.40 -0.07 -0.69 0.00 0.00 174.62 174.61 3jpq h LEU 228 N 7.27 0.33 -7.05 4.42 3.38 0.18 -3.46 115.31 120.37 3jpq h LEU 228 Ca -0.30 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 56.79 3jpq h LEU 228 Cb 1.19 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 3jpq h LEU 228 CO 0.49 1.71 0.15 -0.94 0.09 0.00 0.00 178.44 179.95 3jpq s SER 229 N -7.02 -0.59 -0.20 -0.43 1.04 -0.40 -4.46 113.70 101.65 3jpq s SER 229 Ca -0.23 0.46 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 3jpq s SER 229 Cb 0.06 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.78 3jpq s SER 229 CO 0.73 -0.70 0.50 -0.75 0.98 0.00 0.00 173.24 174.01 3jpq s LYS 230 N -1.92 0.50 0.00 4.02 2.20 -1.26 -1.05 119.74 122.23 3jpq s LYS 230 Ca -0.08 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 3jpq s LYS 230 Cb -0.01 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 3jpq s LYS 230 CO 0.03 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 3jpq n GLY 231 N 4.09 4.54 0.19 5.54 0.00 -0.52 -5.02 105.19 114.01 3jpq n GLY 231 Ca -0.21 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.21 3jpq n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jpq h GLU 232 N 0.00 0.00 0.00 1.61 4.39 -2.02 -3.35 114.58 115.21 3jpq h GLU 232 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jpq h GLU 232 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3jpq h GLU 232 CO 0.00 0.36 0.00 0.25 -1.16 0.00 0.00 179.01 178.46 3jpq n THR 233 N -3.92 0.00 -4.05 1.13 -2.24 -1.26 -4.51 114.28 99.42 3jpq n THR 233 Ca -0.02 -0.35 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 3jpq n THR 233 Cb 0.42 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.52 3jpq n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jpq s LYS 234 N -0.63 0.69 -0.07 -0.78 2.20 -1.26 -0.40 119.74 119.49 3jpq s LYS 234 Ca 0.00 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 3jpq s LYS 234 Cb 0.00 -0.79 -0.02 0.00 -1.51 0.00 0.00 37.83 35.51 3jpq s LYS 234 CO 0.00 -0.13 -0.20 0.12 -0.36 0.00 0.00 175.35 174.79 3jpq s PHE 235 N 1.11 2.59 -0.16 4.03 5.36 0.25 -1.44 117.98 129.72 3jpq s PHE 235 Ca -0.08 -0.57 -0.01 0.00 -0.96 0.00 0.00 56.93 55.30 3jpq s PHE 235 Cb -0.14 -1.67 0.04 0.00 -0.34 0.00 0.00 43.02 40.92 3jpq s PHE 235 CO -0.01 -0.12 -0.02 1.41 -1.46 0.00 0.00 175.22 175.02 3jpq s MET 236 N -0.18 1.07 0.00 10.12 -2.45 -0.21 -0.90 119.30 126.75 3jpq s MET 236 Ca -0.02 -0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 3jpq s MET 236 Cb -0.14 -1.84 0.00 0.00 1.25 0.00 0.00 34.83 34.11 3jpq s MET 236 CO 0.03 -0.46 0.00 0.41 1.05 0.00 0.00 175.02 176.05 3jpq n GLY 237 N 4.97 3.85 3.11 2.11 0.00 0.04 0.89 105.19 120.16 3jpq n GLY 237 Ca -0.10 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 3jpq n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpq s VAL 238 N -0.66 1.00 0.20 1.61 1.01 -0.14 -1.36 120.40 122.07 3jpq s VAL 238 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3jpq s VAL 238 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3jpq s VAL 238 CO 0.00 0.04 0.13 0.00 0.00 0.00 0.00 175.10 175.27 3jpq s GLN 240 N -4.15 0.62 0.52 0.00 0.74 -0.07 -0.06 119.66 117.27 3jpq s GLN 240 Ca 0.39 1.03 -0.20 0.00 0.05 0.00 0.00 55.36 56.63 3jpq s GLN 240 Cb 0.07 0.14 -0.07 0.00 1.10 0.00 0.00 33.01 34.25 3jpq s GLN 240 CO 0.12 -0.14 1.10 -0.51 -0.55 0.00 0.00 175.29 175.31 3jpq s LEU 241 N 1.31 3.79 0.39 3.68 1.43 -1.26 -4.60 118.68 123.41 3jpq s LEU 241 Ca -0.08 2.10 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 3jpq s LEU 241 Cb -0.06 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.50 3jpq s LEU 241 CO -0.14 -1.07 0.99 -2.16 0.23 0.00 0.00 176.35 174.20 3jpq s PRO 242 N -3.25 4.30 0.34 1.29 0.04 -1.26 -4.49 135.00 131.97 3jpq s PRO 242 Ca 0.71 1.34 0.08 0.00 0.04 0.00 0.00 61.00 63.17 3jpq s PRO 242 Cb -0.21 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 3jpq s PRO 242 CO 0.25 0.01 0.20 -1.54 0.04 0.00 0.00 177.00 175.96 3jpq s SER 243 N -1.76 4.88 0.67 6.66 1.04 -1.26 -4.94 113.70 118.99 3jpq s SER 243 Ca 0.57 -0.69 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 3jpq s SER 243 Cb -0.17 -0.80 0.07 0.00 0.10 0.00 0.00 66.02 65.22 3jpq s SER 243 CO 0.22 -0.33 0.94 -0.54 0.98 0.00 0.00 173.24 174.51 3jpq s LYS 244 N -3.90 2.13 0.27 4.02 1.02 -1.26 -4.99 119.74 117.03 3jpq s LYS 244 Ca 0.39 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 3jpq s LYS 244 Cb -0.03 -2.30 -0.13 0.00 -0.52 0.00 0.00 37.83 34.85 3jpq s LYS 244 CO 0.24 -1.16 1.43 0.09 -0.92 0.00 0.00 175.35 175.03 3jpq n ASN 245 N -2.74 3.01 0.00 2.83 3.02 -1.26 -1.96 115.26 118.17 3jpq n ASN 245 Ca 0.10 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 3jpq n ASN 245 Cb 0.60 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3jpq n ASN 245 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jpq n ASP 246 N 1.87 0.00 -4.89 6.41 10.43 -1.26 -4.97 116.55 124.14 3jpq n ASP 246 Ca 0.09 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.14 3jpq n ASP 246 Cb 0.34 -1.13 -0.05 0.00 1.84 0.00 0.00 41.12 42.12 3jpq n ASP 246 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3jpq s GLU 247 N -0.20 3.68 0.56 -1.24 -1.05 -0.83 -5.05 118.70 114.57 3jpq s GLU 247 Ca 0.00 0.03 -0.21 0.00 -0.15 0.00 0.00 54.97 54.64 3jpq s GLU 247 Cb 0.00 -2.80 -0.05 0.00 -0.44 0.00 0.00 34.13 30.84 3jpq s GLU 247 CO 0.00 0.43 1.24 1.17 0.95 0.00 0.00 175.26 179.05 3jpq n LYS 248 N 0.09 1.44 -2.43 -4.83 4.81 -1.26 -4.68 118.16 111.29 3jpq n LYS 248 Ca -0.02 0.54 -0.35 0.00 -0.87 0.00 0.00 58.31 57.61 3jpq n LYS 248 Cb 0.52 -2.44 -0.02 0.00 0.02 0.00 0.00 35.03 33.11 3jpq n LYS 248 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3jpq s GLU 249 N -2.83 3.66 0.69 1.64 2.02 -1.26 -4.85 118.70 117.76 3jpq s GLU 249 Ca 0.73 1.47 -0.12 0.00 0.02 0.00 0.00 54.97 57.07 3jpq s GLU 249 Cb -0.43 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 31.72 3jpq s GLU 249 CO 0.48 -0.57 1.07 0.71 0.02 0.00 0.00 175.26 176.97 3jpq s TYR 250 N -1.88 2.91 0.61 1.61 2.02 -1.26 -5.00 117.35 116.36 3jpq s TYR 250 Ca 0.69 1.49 -0.16 0.00 -0.37 0.00 0.00 57.07 58.71 3jpq s TYR 250 Cb -0.20 -2.98 -0.02 0.00 -0.40 0.00 0.00 41.96 38.36 3jpq s TYR 250 CO 0.23 -1.39 1.09 -2.14 -1.57 0.00 0.00 175.55 171.78 3jpq s PRO 251 N -4.70 3.08 0.47 -1.71 0.02 -1.26 -4.88 135.00 126.02 3jpq s PRO 251 Ca 0.61 1.37 -0.21 0.00 0.02 0.00 0.00 61.00 62.79 3jpq s PRO 251 Cb -0.16 -1.99 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 3jpq s PRO 251 CO 0.50 -1.02 1.04 -1.01 -0.33 0.00 0.00 177.00 176.18 3jpq s HIS 252 N -2.27 3.04 0.09 6.54 3.76 -1.26 -4.66 115.29 120.52 3jpq s HIS 252 Ca 0.67 1.59 0.06 0.00 -0.15 0.00 0.00 55.06 57.22 3jpq s HIS 252 Cb -0.19 -3.08 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 3jpq s HIS 252 CO 0.37 -0.80 -0.15 1.03 -0.85 0.00 0.00 174.74 174.33 3jpq s ARG 253 N -3.10 0.91 0.21 1.40 1.81 0.91 -4.43 118.95 116.66 3jpq s ARG 253 Ca 0.66 -1.04 -0.30 0.00 -1.72 0.00 0.00 55.73 53.33 3jpq s ARG 253 Cb -0.17 -0.94 -0.08 0.00 -0.45 0.00 0.00 34.95 33.30 3jpq s ARG 253 CO 0.21 0.21 0.94 1.03 -0.68 0.00 0.00 175.30 177.01 3jpq s ARG 254 N -1.93 4.82 -0.01 3.54 1.81 -1.26 -0.18 118.95 125.74 3jpq s ARG 254 Ca 0.01 1.47 0.01 0.00 -1.72 0.00 0.00 55.73 55.51 3jpq s ARG 254 Cb -0.09 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 3jpq s ARG 254 CO 0.03 0.45 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.55 3jpq s ILE 255 N -0.90 0.39 -0.03 1.52 2.07 -0.46 -1.91 121.20 121.88 3jpq s ILE 255 Ca 0.42 -0.19 0.05 0.00 -1.41 0.00 0.00 60.65 59.53 3jpq s ILE 255 Cb -0.25 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 3jpq s ILE 255 CO 0.31 0.12 -0.19 -1.81 -1.91 0.00 0.00 174.94 171.46 3jpq s ASP 256 N 0.03 2.34 -0.07 4.50 1.01 -0.41 -0.78 116.67 123.29 3jpq s ASP 256 Ca 0.00 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 52.91 3jpq s ASP 256 Cb -0.04 -0.47 0.01 0.00 1.01 0.00 0.00 42.92 43.44 3jpq s ASP 256 CO -0.00 0.21 -0.12 -0.63 0.21 0.00 0.00 175.17 174.83 3jpq s ILE 257 N -0.22 1.14 -0.17 0.77 1.01 -0.08 -0.93 121.20 122.73 3jpq s ILE 257 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3jpq s ILE 257 Cb -0.10 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.34 3jpq s ILE 257 CO 0.01 0.36 -0.14 -0.60 0.00 0.00 0.00 174.94 174.57 3jpq s ARG 258 N 0.79 2.36 -0.24 2.79 6.06 -0.29 -0.59 118.95 129.83 3jpq s ARG 258 Ca -0.12 -0.67 -0.20 0.00 -2.50 0.00 0.00 55.73 52.23 3jpq s ARG 258 Cb -0.15 -2.26 -0.02 0.00 0.06 0.00 0.00 34.95 32.58 3jpq s ARG 258 CO 0.02 -0.28 0.61 -1.17 -2.50 0.00 0.00 175.30 171.99 3jpq s LEU 259 N 1.43 4.08 0.06 -0.88 2.96 0.47 -0.65 118.68 126.14 3jpq s LEU 259 Ca 0.03 0.71 0.09 0.00 -0.22 0.00 0.00 54.13 54.74 3jpq s LEU 259 Cb -0.14 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 3jpq s LEU 259 CO -0.10 -0.34 -0.25 -0.63 -1.32 0.00 0.00 176.35 173.71 3jpq s ILE 260 N 2.35 2.00 0.13 6.68 1.01 -0.45 -4.82 121.20 128.10 3jpq s ILE 260 Ca 0.26 -1.38 -0.35 0.00 0.00 0.00 0.00 60.65 59.18 3jpq s ILE 260 Cb -0.16 -1.73 -0.15 0.00 0.01 0.00 0.00 42.46 40.43 3jpq s ILE 260 CO 0.09 0.28 1.41 -2.65 0.00 0.00 0.00 174.94 174.06 3jpq n PRO 261 N 1.68 1.55 -0.24 2.79 -0.02 -1.26 -4.56 135.00 134.94 3jpq n PRO 261 Ca -0.17 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3jpq n PRO 261 Cb 0.52 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.20 3jpq n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3jpq h LYS 262 N 4.89 0.57 0.00 -0.52 3.64 -1.47 0.17 116.57 123.86 3jpq h LYS 262 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3jpq h LYS 262 Cb 1.30 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3jpq h LYS 262 CO 0.81 0.38 0.00 -0.40 -2.27 0.00 0.00 179.45 177.96 3jpq n ASP 263 N -4.53 0.00 -0.60 4.20 5.75 -1.26 -2.95 116.55 117.15 3jpq n ASP 263 Ca 0.17 -0.37 0.05 0.00 -0.01 0.00 0.00 54.79 54.62 3jpq n ASP 263 Cb 0.51 -0.18 0.20 0.00 -1.03 0.00 0.00 41.12 40.61 3jpq n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jpq n GLN 264 N -1.18 1.63 -0.19 0.11 6.02 0.59 -4.81 117.38 119.55 3jpq n GLN 264 Ca 0.16 -3.12 -0.04 0.00 -0.01 0.00 0.00 57.00 53.98 3jpq n GLN 264 Cb 0.17 -1.64 0.05 0.00 1.02 0.00 0.00 30.24 29.84 3jpq n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3jpq h TYR 265 N 0.83 0.59 -0.57 1.08 3.20 -1.46 -2.07 116.97 118.57 3jpq h TYR 265 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3jpq h TYR 265 Cb 1.13 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 3jpq h TYR 265 CO 0.64 0.31 0.27 1.88 -1.64 0.00 0.00 178.16 179.63 3jpq h TYR 266 N 0.62 0.83 -0.43 -3.82 0.05 -1.88 0.51 116.97 112.84 3jpq h TYR 266 Ca 0.23 -0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 3jpq h TYR 266 Cb 0.07 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3jpq h TYR 266 CO -0.07 0.64 -0.18 0.00 -1.05 0.00 0.00 178.16 177.49 3jpq h GLY 268 N 0.96 0.72 2.00 0.00 0.00 -0.55 -1.59 103.07 104.60 3jpq h GLY 268 Ca 0.11 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3jpq h GLY 268 CO 0.05 0.47 -0.57 -0.24 0.00 0.00 0.00 176.54 176.25 3jpq h VAL 269 N 0.51 1.35 -0.18 4.60 3.04 0.10 -0.63 116.25 125.04 3jpq h VAL 269 Ca 0.12 -1.98 -0.03 0.00 -1.01 0.00 0.00 66.70 63.80 3jpq h VAL 269 Cb 0.42 2.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 3jpq h VAL 269 CO 0.01 0.56 0.01 0.25 -1.01 0.00 0.00 177.57 177.39 3jpq h LEU 270 N 0.00 0.31 0.24 3.16 5.85 -1.09 -1.52 115.31 122.26 3jpq h LEU 270 Ca -0.01 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3jpq h LEU 270 Cb 1.04 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3jpq h LEU 270 CO 0.07 0.53 -0.14 0.22 -0.34 0.00 0.00 178.44 178.79 3jpq h TYR 271 N 0.08 -0.36 0.00 1.25 3.20 -1.09 -2.97 116.97 117.07 3jpq h TYR 271 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3jpq h TYR 271 Cb 0.37 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3jpq h TYR 271 CO 0.03 -0.22 0.00 0.34 -1.64 0.00 0.00 178.16 176.67 3jpq n PHE 272 N -5.26 0.83 0.05 -3.82 7.35 -0.26 -2.73 117.46 113.61 3jpq n PHE 272 Ca -0.09 0.30 -0.06 0.00 -0.76 0.00 0.00 57.45 56.84 3jpq n PHE 272 Cb 0.18 -0.99 -0.11 0.00 0.35 0.00 0.00 39.48 38.91 3jpq n PHE 272 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3jpq h THR 273 N 0.00 1.38 -0.07 -2.13 2.02 -1.15 0.57 112.91 113.54 3jpq h THR 273 Ca 0.00 -3.09 0.00 0.00 0.77 0.00 0.00 66.41 64.09 3jpq h THR 273 Cb 0.45 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 3jpq h THR 273 CO 0.00 0.79 0.00 0.61 0.37 0.00 0.00 175.52 177.29 3jpq n GLY 274 N 1.39 1.03 3.41 2.16 0.00 -1.11 -4.22 105.19 107.85 3jpq n GLY 274 Ca -0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 3jpq n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jpq s SER 275 N -4.00 -0.32 0.13 1.61 1.04 -0.49 -4.78 113.70 106.90 3jpq s SER 275 Ca 0.00 0.83 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 3jpq s SER 275 Cb 0.00 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 3jpq s SER 275 CO 0.00 -4.90 1.59 -2.24 0.98 0.00 0.00 173.24 168.66 3jpq h ASP 276 N -3.11 0.71 -0.59 7.02 2.03 -1.90 -0.62 116.42 119.97 3jpq h ASP 276 Ca -0.45 -0.29 -0.08 0.00 -0.73 0.00 0.00 57.03 55.48 3jpq h ASP 276 Cb 1.33 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.61 3jpq h ASP 276 CO 0.32 0.83 0.07 0.40 -1.03 0.00 0.00 179.24 179.83 3jpq h ILE 277 N 0.57 1.26 -0.71 4.15 2.04 -1.94 -1.39 117.51 121.48 3jpq h ILE 277 Ca 0.12 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3jpq h ILE 277 Cb 0.45 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3jpq h ILE 277 CO 0.02 0.38 0.47 0.15 0.00 0.00 0.00 178.15 179.16 3jpq h PHE 278 N 0.95 0.88 -0.70 1.37 3.04 -1.70 0.15 116.94 120.92 3jpq h PHE 278 Ca 0.19 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 3jpq h PHE 278 Cb 0.45 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 3jpq h PHE 278 CO 0.03 0.54 0.36 -0.91 -2.02 0.00 0.00 178.31 176.31 3jpq h ASN 279 N 0.94 0.90 -0.29 0.41 2.35 -0.67 0.13 115.58 119.35 3jpq h ASN 279 Ca 0.27 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3jpq h ASN 279 Cb -0.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 3jpq h ASN 279 CO -0.07 0.77 0.12 0.11 -1.65 0.00 0.00 177.43 176.70 3jpq h LYS 280 N 0.98 0.44 -0.50 0.81 1.57 -0.59 0.90 116.57 120.17 3jpq h LYS 280 Ca 0.24 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3jpq h LYS 280 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3jpq h LYS 280 CO -0.03 0.46 0.22 -0.91 -0.57 0.00 0.00 179.45 178.61 3jpq h ASN 281 N 0.32 0.67 -0.38 0.86 2.35 -0.70 -0.63 115.58 118.07 3jpq h ASN 281 Ca 0.10 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3jpq h ASN 281 Cb 0.18 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3jpq h ASN 281 CO -0.01 0.63 0.03 -0.03 -1.65 0.00 0.00 177.43 176.41 3jpq h MET 282 N 0.66 0.65 -0.42 0.81 4.05 -0.58 -1.13 114.93 118.97 3jpq h MET 282 Ca 0.17 -0.19 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 3jpq h MET 282 Cb 0.16 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3jpq h MET 282 CO -0.02 0.73 -0.07 0.00 0.23 0.00 0.00 176.91 177.78 3jpq h ARG 283 N 0.48 0.71 -0.46 0.39 3.08 -0.69 -0.86 114.38 117.03 3jpq h ARG 283 Ca 0.11 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3jpq h ARG 283 Cb 0.41 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3jpq h ARG 283 CO 0.01 0.77 0.01 0.00 -1.07 0.00 0.00 179.97 179.69 3jpq h ALA 284 N 1.27 0.61 -0.84 0.04 0.00 -0.94 -1.99 119.26 117.42 3jpq h ALA 284 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3jpq h ALA 284 Cb 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3jpq h ALA 284 CO 0.03 0.40 0.48 1.25 0.00 0.00 0.00 179.25 181.40 3jpq h HIS 285 N 0.65 1.13 -0.31 0.00 -0.00 -0.93 -2.18 115.15 113.51 3jpq h HIS 285 Ca 0.13 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 3jpq h HIS 285 Cb 0.49 -0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 3jpq h HIS 285 CO 0.04 0.78 -0.02 0.00 -0.00 0.00 0.00 177.93 178.72 3jpq h ALA 286 N 1.25 0.26 -0.55 5.26 0.00 -0.79 -0.95 119.26 123.74 3jpq h ALA 286 Ca 0.30 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.37 3jpq h ALA 286 Cb 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3jpq h ALA 286 CO -0.05 -0.42 0.24 -0.07 0.00 0.00 0.00 179.25 178.95 3jpq h LEU 287 N 0.06 0.30 -1.97 0.00 3.38 -0.61 0.99 115.31 117.46 3jpq h LEU 287 Ca 0.15 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3jpq h LEU 287 Cb 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3jpq h LEU 287 CO -0.27 0.20 -0.02 -0.33 0.09 0.00 0.00 178.44 178.10 3jpq h GLU 288 N 0.46 0.00 -0.01 1.13 5.08 -0.71 -0.64 114.58 119.88 3jpq h GLU 288 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3jpq h GLU 288 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3jpq h GLU 288 CO -0.23 0.02 -0.08 1.63 -1.00 0.00 0.00 179.01 179.35 3jpq n LYS 289 N -4.49 1.42 -1.19 2.33 4.76 -0.16 -4.93 118.16 115.90 3jpq n LYS 289 Ca -0.03 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.57 3jpq n LYS 289 Cb 0.11 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3jpq n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jpq n GLY 290 N 1.23 1.03 3.13 0.72 0.00 -0.25 -5.01 105.19 106.06 3jpq n GLY 290 Ca 0.17 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3jpq n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jpq s PHE 291 N -2.02 0.76 -0.05 1.61 0.40 0.16 -0.62 117.98 118.23 3jpq s PHE 291 Ca 0.00 -0.87 0.03 0.00 -0.60 0.00 0.00 56.93 55.49 3jpq s PHE 291 Cb 0.00 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 43.07 3jpq s PHE 291 CO 0.00 -0.19 -0.14 -0.08 0.70 0.00 0.00 175.22 175.52 3jpq s THR 292 N -3.27 1.18 -0.09 0.64 -1.32 0.53 -1.79 115.64 111.52 3jpq s THR 292 Ca 0.07 -0.55 0.04 0.00 -1.21 0.00 0.00 61.69 60.04 3jpq s THR 292 Cb 0.03 -1.04 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 3jpq s THR 292 CO -0.05 0.35 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.85 3jpq s ILE 293 N 0.31 2.11 0.27 5.08 1.01 -1.26 -1.22 121.20 127.50 3jpq s ILE 293 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.59 3jpq s ILE 293 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3jpq s ILE 293 CO 0.02 0.56 0.10 -0.46 0.00 0.00 0.00 174.94 175.16 3jpq n ASN 294 N 3.39 1.10 0.00 3.58 0.23 -0.63 -4.94 115.26 118.00 3jpq n ASN 294 Ca -0.19 -2.43 0.08 0.00 -0.53 0.00 0.00 54.58 51.51 3jpq n ASN 294 Cb 0.53 0.69 0.45 0.00 -2.08 0.00 0.00 39.78 39.36 3jpq n ASN 294 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3jpq n GLU 295 N -0.60 0.39 -0.05 -3.83 0.00 -1.26 -3.46 120.64 111.83 3jpq n GLU 295 Ca -0.04 0.06 -0.07 0.00 0.00 0.00 0.00 57.16 57.11 3jpq n GLU 295 Cb 0.40 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.29 3jpq n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3jpq n TYR 296 N -1.12 0.00 -3.96 -1.84 4.01 -1.26 -1.60 117.16 111.39 3jpq n TYR 296 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 3jpq n TYR 296 Cb 0.08 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.66 3jpq n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3jpq s THR 297 N -2.22 0.00 -0.12 -0.72 -4.23 -1.22 -4.73 115.64 102.40 3jpq s THR 297 Ca -0.14 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3jpq s THR 297 Cb 0.04 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3jpq s THR 297 CO 0.27 0.00 -0.10 -0.51 -0.54 0.00 0.00 174.62 173.74 3jpq s ILE 298 N -3.31 1.20 0.10 2.99 2.07 -1.26 -1.60 121.20 121.38 3jpq s ILE 298 Ca 0.22 -0.40 0.09 0.00 -1.41 0.00 0.00 60.65 59.15 3jpq s ILE 298 Cb -0.02 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 41.35 3jpq s ILE 298 CO 0.13 0.40 -0.23 -0.13 -1.91 0.00 0.00 174.94 173.19 3jpq s ARG 299 N 1.61 1.30 0.59 3.50 0.52 -0.35 -1.61 118.95 124.51 3jpq s ARG 299 Ca 0.04 -1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 53.94 3jpq s ARG 299 Cb -0.13 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.69 3jpq s ARG 299 CO -0.09 0.39 1.02 -1.25 0.02 0.00 0.00 175.30 175.39 3jpq s PRO 300 N -1.77 3.58 -0.24 3.54 0.04 -1.26 -0.34 135.00 138.55 3jpq s PRO 300 Ca 0.09 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 61.96 3jpq s PRO 300 Cb -0.10 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3jpq s PRO 300 CO 0.04 -0.58 0.10 -0.51 0.04 0.00 0.00 177.00 176.09 3jpq s LEU 301 N -4.77 3.72 0.96 -3.56 1.43 0.21 -0.02 118.68 116.65 3jpq s LEU 301 Ca 0.58 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 3jpq s LEU 301 Cb -0.12 -1.99 0.17 0.00 0.03 0.00 0.00 46.19 44.28 3jpq s LEU 301 CO 0.44 0.03 1.09 -0.83 0.23 0.00 0.00 176.35 177.31 3jpq s GLY 302 N 1.26 1.62 0.38 -3.19 0.00 -0.27 -4.76 107.32 102.37 3jpq s GLY 302 Ca 0.06 0.09 0.20 0.00 0.00 0.00 0.00 44.72 45.07 3jpq s GLY 302 CO 0.05 0.61 1.58 -2.08 0.00 0.00 0.00 173.10 173.25 3jpq h VAL 303 N -1.87 0.00 0.00 1.40 2.07 -1.98 0.71 116.25 116.58 3jpq h VAL 303 Ca -0.51 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 3jpq h VAL 303 Cb 1.29 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3jpq h VAL 303 CO 0.50 0.00 -1.26 1.07 0.02 0.00 0.00 177.57 177.90 3jpq n THR 304 N -2.29 0.90 0.00 2.57 5.66 -1.26 -4.96 114.28 114.91 3jpq n THR 304 Ca -0.01 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 3jpq n THR 304 Cb 0.19 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 3jpq n THR 304 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3jpq n GLY 305 N 1.30 0.95 3.72 1.09 0.00 0.25 -5.08 105.19 107.41 3jpq n GLY 305 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3jpq n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpq s VAL 306 N -2.00 5.19 0.40 1.61 1.01 -1.26 -4.71 120.40 120.64 3jpq s VAL 306 Ca 0.00 0.94 -0.26 0.00 0.00 0.00 0.00 61.98 62.66 3jpq s VAL 306 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 3jpq s VAL 306 CO 0.00 0.32 1.25 0.00 0.00 0.00 0.00 175.10 176.67 3jpq n ALA 307 N 3.71 1.18 -1.96 5.51 0.00 -1.26 -1.11 120.51 126.58 3jpq n ALA 307 Ca -0.07 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3jpq n ALA 307 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3jpq n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jpq n GLY 308 N 0.84 1.86 3.82 0.00 0.00 0.96 -4.84 105.19 107.82 3jpq n GLY 308 Ca 0.06 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3jpq n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jpq s GLU 309 N 3.62 4.23 0.29 1.61 0.41 -1.26 -4.72 118.70 122.87 3jpq s GLU 309 Ca 0.00 1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 55.26 3jpq s GLU 309 Cb 0.00 -2.44 -0.13 0.00 -1.78 0.00 0.00 34.13 29.79 3jpq s GLU 309 CO 0.00 0.12 1.37 -2.30 -0.49 0.00 0.00 175.26 173.96 3jpq n PRO 310 N -0.20 2.13 -3.28 0.39 -0.02 -1.26 -4.32 135.00 128.42 3jpq n PRO 310 Ca 0.04 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 3jpq n PRO 310 Cb 0.53 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 3jpq n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jpq s LEU 311 N -0.43 4.10 0.28 2.45 1.43 -0.63 -5.01 118.68 120.86 3jpq s LEU 311 Ca 0.62 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 3jpq s LEU 311 Cb -0.60 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 3jpq s LEU 311 CO 0.55 -0.15 1.44 -2.16 0.23 0.00 0.00 176.35 176.26 3jpq s PRO 312 N -3.03 4.25 -0.05 1.29 0.04 -1.26 -4.76 135.00 131.48 3jpq s PRO 312 Ca 0.49 2.35 -0.00 0.00 0.04 0.00 0.00 61.00 63.87 3jpq s PRO 312 Cb -0.11 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.38 3jpq s PRO 312 CO 0.22 -0.42 0.00 0.08 0.04 0.00 0.00 177.00 176.92 3jpq s VAL 313 N -0.26 0.29 -0.03 -0.36 1.01 -1.26 -4.98 120.40 114.80 3jpq s VAL 313 Ca 0.58 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.70 3jpq s VAL 313 Cb -0.43 -0.41 0.06 0.00 0.00 0.00 0.00 36.38 35.60 3jpq s VAL 313 CO 0.47 0.21 0.95 0.47 0.00 0.00 0.00 175.10 177.19 3jpq n ASP 314 N 4.67 1.59 -3.60 3.32 9.92 -1.26 -4.96 116.55 126.23 3jpq n ASP 314 Ca -0.15 -2.06 -0.03 0.00 -0.53 0.00 0.00 54.79 52.01 3jpq n ASP 314 Cb 0.50 -0.11 -0.02 0.00 -0.64 0.00 0.00 41.12 40.86 3jpq n ASP 314 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3jpq s SER 315 N -1.23 -0.13 0.29 -2.24 1.04 -1.26 -4.99 113.70 105.17 3jpq s SER 315 Ca 0.07 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3jpq s SER 315 Cb 0.06 0.17 0.43 0.00 0.10 0.00 0.00 66.02 66.78 3jpq s SER 315 CO 0.01 -0.29 1.79 -0.33 0.98 0.00 0.00 173.24 175.40 3jpq h GLU 316 N 2.00 0.66 -0.43 4.02 5.08 -1.97 -2.58 114.58 121.36 3jpq h GLU 316 Ca -0.15 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3jpq h GLU 316 Cb 1.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3jpq h GLU 316 CO 0.25 0.70 0.29 -0.22 -1.00 0.00 0.00 179.01 179.03 3jpq h LYS 317 N 0.62 0.53 -0.88 2.33 3.64 -1.98 -1.22 116.57 119.61 3jpq h LYS 317 Ca 0.12 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3jpq h LYS 317 Cb 0.44 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3jpq h LYS 317 CO 0.02 0.35 0.57 -0.44 -2.27 0.00 0.00 179.45 177.68 3jpq h ASP 318 N 0.54 0.81 -0.34 4.20 3.32 -1.84 0.34 116.42 123.45 3jpq h ASP 318 Ca 0.16 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3jpq h ASP 318 Cb -0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3jpq h ASP 318 CO -0.04 0.50 0.04 0.40 -1.72 0.00 0.00 179.24 178.42 3jpq h ILE 319 N 0.91 1.24 -0.73 0.35 2.04 -1.31 -2.30 117.51 117.72 3jpq h ILE 319 Ca 0.40 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3jpq h ILE 319 Cb 0.34 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3jpq h ILE 319 CO -0.16 0.29 0.38 -0.26 0.00 0.00 0.00 178.15 178.40 3jpq h PHE 320 N 0.40 1.02 -0.91 1.37 -1.00 -1.18 -2.84 116.94 113.79 3jpq h PHE 320 Ca 0.10 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.86 3jpq h PHE 320 Cb 0.38 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.57 3jpq h PHE 320 CO 0.03 0.73 0.60 -0.44 -1.61 0.00 0.00 178.31 177.62 3jpq h ASP 321 N 1.01 1.04 -0.92 2.17 3.32 -0.77 -1.31 116.42 120.96 3jpq h ASP 321 Ca 0.25 -0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.38 3jpq h ASP 321 Cb 0.07 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 3jpq h ASP 321 CO -0.04 0.75 0.59 1.88 -1.72 0.00 0.00 179.24 180.71 3jpq h TYR 322 N 1.23 1.01 -0.61 4.55 0.99 -1.17 -1.50 116.97 121.47 3jpq h TYR 322 Ca 0.33 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.09 3jpq h TYR 322 Cb -0.14 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 37.26 3jpq h TYR 322 CO -0.01 0.45 0.00 0.44 -0.00 0.00 0.00 178.16 179.05 3jpq n ILE 323 N -4.54 1.60 -3.59 -2.88 -5.35 -0.97 -4.95 119.36 98.67 3jpq n ILE 323 Ca 0.16 -1.06 -0.22 0.00 -0.27 0.00 0.00 62.75 61.36 3jpq n ILE 323 Cb 0.31 0.13 0.07 0.00 -1.74 0.00 0.00 39.64 38.41 3jpq n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jpq n GLN 324 N 1.08 -6.99 -4.96 6.28 6.02 -0.56 -4.94 117.38 113.31 3jpq n GLN 324 Ca 0.24 0.79 -0.32 0.00 -0.01 0.00 0.00 57.00 57.69 3jpq n GLN 324 Cb 0.80 -5.77 -0.14 0.00 1.02 0.00 0.00 30.24 26.15 3jpq n GLN 324 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3jpq s TRP 325 N -3.36 2.66 0.50 1.08 0.52 -0.54 -5.03 118.94 114.76 3jpq s TRP 325 Ca 0.35 -0.42 -0.22 0.00 0.02 0.00 0.00 56.10 55.83 3jpq s TRP 325 Cb -0.16 -1.67 -0.06 0.00 -1.15 0.00 0.00 33.47 30.42 3jpq s TRP 325 CO 0.75 -0.02 1.18 0.15 0.02 0.00 0.00 176.95 179.03 3jpq s LYS 326 N -0.31 3.54 0.36 4.98 1.02 -1.26 -4.12 119.74 123.95 3jpq s LYS 326 Ca 0.02 1.79 -0.28 0.00 0.02 0.00 0.00 55.97 57.52 3jpq s LYS 326 Cb -0.13 -2.26 -0.10 0.00 -0.52 0.00 0.00 37.83 34.82 3jpq s LYS 326 CO 0.03 -0.74 1.38 -0.47 -0.92 0.00 0.00 175.35 174.63 3jpq s TYR 327 N -1.58 2.81 -0.12 3.18 5.04 -1.26 -5.02 117.35 120.41 3jpq s TYR 327 Ca 0.68 1.31 0.01 0.00 -2.44 0.00 0.00 57.07 56.63 3jpq s TYR 327 Cb -0.29 -3.83 0.02 0.00 0.35 0.00 0.00 41.96 38.21 3jpq s TYR 327 CO 0.34 -2.38 -0.13 1.03 -1.34 0.00 0.00 175.55 173.07 3jpq s ARG 328 N -1.99 2.09 0.79 4.97 0.52 -1.26 -5.12 118.95 118.95 3jpq s ARG 328 Ca 0.52 -0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 55.11 3jpq s ARG 328 Cb -0.42 -1.88 0.07 0.00 0.52 0.00 0.00 34.95 33.24 3jpq s ARG 328 CO 0.57 -0.15 1.16 -1.21 0.02 0.00 0.00 175.30 175.68 3jpq s GLU 329 N 1.27 1.84 0.26 3.54 0.41 -1.26 -4.86 118.70 119.90 3jpq s GLU 329 Ca -0.01 1.54 -0.02 0.00 -0.41 0.00 0.00 54.97 56.07 3jpq s GLU 329 Cb -0.14 -1.82 0.53 0.00 -1.78 0.00 0.00 34.13 30.93 3jpq s GLU 329 CO -0.06 -2.01 1.71 -1.35 -0.49 0.00 0.00 175.26 173.06 3jpq h PRO 330 N -0.95 0.38 0.00 0.39 0.11 -1.93 0.58 132.00 130.57 3jpq h PRO 330 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jpq h PRO 330 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jpq h PRO 330 CO 0.48 0.25 0.00 0.36 -0.21 0.00 0.00 178.00 178.88 3jpq n LYS 331 N -5.05 0.14 -0.55 1.05 2.85 -1.25 -1.17 118.16 114.17 3jpq n LYS 331 Ca 0.16 0.61 0.08 0.00 -1.05 0.00 0.00 58.31 58.11 3jpq n LYS 331 Cb 0.49 -1.92 0.30 0.00 -0.65 0.00 0.00 35.03 33.25 3jpq n LYS 331 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3jpq n ASP 332 N -2.21 4.37 -0.81 -5.58 8.00 0.19 -4.38 116.55 116.14 3jpq n ASP 332 Ca -0.01 -2.80 0.08 0.00 0.71 0.00 0.00 54.79 52.77 3jpq n ASP 332 Cb 0.05 -0.55 0.23 0.00 -0.02 0.00 0.00 41.12 40.84 3jpq n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jpq n ARG 333 N 0.12 2.86 -2.79 -1.24 1.74 -0.31 -4.87 116.66 112.17 3jpq n ARG 333 Ca 0.23 -2.67 -0.44 0.00 -0.77 0.00 0.00 57.85 54.20 3jpq n ARG 333 Cb 0.92 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3jpq n ARG 333 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jpq n SER 334 N -0.35 5.12 -0.69 0.55 7.64 -1.26 -1.39 113.62 123.24 3jpq n SER 334 Ca 0.19 -2.97 0.09 0.00 1.01 0.00 0.00 58.87 57.18 3jpq n SER 334 Cb 0.79 -1.61 0.07 0.00 -1.01 0.00 0.00 64.21 62.45 3jpq n SER 334 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41