#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbl h ARG 4 N 0.00 0.57 0.17 1.20 1.12 -2.05 -0.89 114.38 114.50 2xbl h ARG 4 Ca 0.00 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 2xbl h ARG 4 Cb 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 2xbl h ARG 4 CO 0.00 0.38 -0.08 0.93 -3.11 0.00 0.00 179.97 178.09 2xbl h GLU 5 N 0.59 -0.22 -0.96 0.20 3.07 -2.05 -1.11 114.58 114.10 2xbl h GLU 5 Ca 0.38 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.30 2xbl h GLU 5 Cb 0.45 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.35 2xbl h GLU 5 CO -0.30 0.00 0.63 1.25 -1.40 0.00 0.00 179.01 179.19 2xbl h LEU 6 N -0.43 1.02 -0.48 1.33 5.85 -1.91 0.69 115.31 121.39 2xbl h LEU 6 Ca -0.02 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2xbl h LEU 6 Cb 0.33 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2xbl h LEU 6 CO 0.04 0.69 0.29 0.74 -0.34 0.00 0.00 178.44 179.85 2xbl h THR 7 N 1.18 1.06 -0.40 1.05 2.02 -0.96 0.01 112.91 116.86 2xbl h THR 7 Ca 0.39 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 2xbl h THR 7 Cb 0.06 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2xbl h THR 7 CO -0.13 0.11 0.05 0.22 0.37 0.00 0.00 175.52 176.14 2xbl h TYR 8 N 0.58 0.71 0.15 3.16 3.20 -0.25 -0.22 116.97 124.30 2xbl h TYR 8 Ca 0.19 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2xbl h TYR 8 Cb 0.01 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2xbl h TYR 8 CO -0.07 0.71 -0.11 0.82 -1.64 0.00 0.00 178.16 177.87 2xbl h ILE 9 N 0.51 0.77 -0.24 1.81 2.04 -0.66 -0.60 117.51 121.13 2xbl h ILE 9 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2xbl h ILE 9 Cb 0.39 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2xbl h ILE 9 CO 0.01 0.00 0.12 0.74 0.00 0.00 0.00 178.15 179.02 2xbl h THR 10 N -0.26 1.14 -0.99 -0.27 2.02 -0.96 -2.16 112.91 111.43 2xbl h THR 10 Ca -0.01 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2xbl h THR 10 Cb 0.23 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 2xbl h THR 10 CO 0.00 0.14 0.64 0.78 0.37 0.00 0.00 175.52 177.45 2xbl h ASN 11 N 0.27 1.16 -0.52 4.18 2.35 -0.91 -0.53 115.58 121.57 2xbl h ASN 11 Ca 0.08 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2xbl h ASN 11 Cb 0.11 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2xbl h ASN 11 CO -0.01 0.85 0.07 0.28 -1.65 0.00 0.00 177.43 176.97 2xbl h SER 12 N 1.35 0.85 -0.23 5.81 0.02 -0.80 -0.73 113.55 119.83 2xbl h SER 12 Ca 0.36 -0.27 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 2xbl h SER 12 Cb -0.13 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.18 2xbl h SER 12 CO -0.08 0.90 -0.60 0.40 -1.14 0.00 0.00 176.83 176.31 2xbl h ILE 13 N 0.76 1.28 -0.47 3.27 2.04 -1.17 -2.35 117.51 120.86 2xbl h ILE 13 Ca 0.16 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.18 2xbl h ILE 13 Cb 0.42 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2xbl h ILE 13 CO 0.01 0.58 0.09 0.00 0.00 0.00 0.00 178.15 178.84 2xbl h ALA 14 N 0.68 1.29 -0.33 1.87 0.00 -0.94 -0.22 119.26 121.61 2xbl h ALA 14 Ca -0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2xbl h ALA 14 Cb 1.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2xbl h ALA 14 CO 0.13 0.49 -0.45 1.49 0.00 0.00 0.00 179.25 180.91 2xbl h GLU 15 N 0.69 0.88 -0.68 0.00 4.57 -1.05 -0.75 114.58 118.23 2xbl h GLU 15 Ca 0.15 -0.50 0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2xbl h GLU 15 Cb 0.29 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 2xbl h GLU 15 CO 0.00 1.14 0.43 0.00 -1.18 0.00 0.00 179.01 179.40 2xbl h ALA 16 N 0.78 0.88 -0.54 2.92 0.00 -0.85 -0.21 119.26 122.24 2xbl h ALA 16 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2xbl h ALA 16 Cb 1.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2xbl h ALA 16 CO 0.10 0.22 0.31 0.37 0.00 0.00 0.00 179.25 180.25 2xbl h GLN 17 N 0.86 0.58 -0.63 0.00 4.15 -0.82 -1.46 115.11 117.80 2xbl h GLN 17 Ca 0.27 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 2xbl h GLN 17 Cb -0.01 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 2xbl h GLN 17 CO -0.09 0.38 0.31 -0.09 -1.93 0.00 0.00 178.83 177.41 2xbl h ARG 18 N 0.60 0.90 -0.28 1.69 2.43 -0.61 -1.23 114.38 117.88 2xbl h ARG 18 Ca 0.23 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2xbl h ARG 18 Cb 0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2xbl h ARG 18 CO -0.13 0.72 0.16 0.28 -1.51 0.00 0.00 179.97 179.48 2xbl h VAL 19 N 0.86 1.12 -0.30 0.20 2.07 -0.71 -0.33 116.25 119.16 2xbl h VAL 19 Ca 0.22 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2xbl h VAL 19 Cb 0.11 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2xbl h VAL 19 CO -0.03 0.12 0.16 0.24 0.02 0.00 0.00 177.57 178.08 2xbl h MET 20 N 0.34 0.32 -0.87 1.57 2.86 -1.03 -0.84 114.93 117.27 2xbl h MET 20 Ca 0.10 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2xbl h MET 20 Cb 0.06 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 2xbl h MET 20 CO -0.02 0.21 0.55 0.00 1.06 0.00 0.00 176.91 178.71 2xbl h ALA 21 N 1.15 1.19 -0.53 6.32 0.00 -1.03 -0.58 119.26 125.79 2xbl h ALA 21 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2xbl h ALA 21 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2xbl h ALA 21 CO -0.08 0.32 -0.14 0.00 0.00 0.00 0.00 179.25 179.35 2xbl h ALA 22 N 1.40 0.74 -0.58 0.00 0.00 -0.55 -2.19 119.26 118.08 2xbl h ALA 22 Ca 0.37 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2xbl h ALA 22 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2xbl h ALA 22 CO -0.16 0.68 -0.00 0.52 0.00 0.00 0.00 179.25 180.28 2xbl h MET 23 N 0.90 1.02 -0.35 0.00 2.86 -0.82 -2.73 114.93 115.81 2xbl h MET 23 Ca 0.13 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2xbl h MET 23 Cb 0.72 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2xbl h MET 23 CO 0.05 1.00 0.21 1.25 1.06 0.00 0.00 176.91 180.48 2xbl h LEU 24 N 0.93 0.41 -0.26 1.22 5.85 -0.81 -2.03 115.31 120.62 2xbl h LEU 24 Ca 0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2xbl h LEU 24 Cb 0.54 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2xbl h LEU 24 CO 0.03 0.32 -0.18 0.00 -0.34 0.00 0.00 178.44 178.27 2xbl n ALA 25 N -2.48 2.89 -3.20 1.25 0.00 -0.85 -4.73 120.51 113.39 2xbl n ALA 25 Ca 0.02 -0.30 -0.46 0.00 0.00 0.00 0.00 53.44 52.71 2xbl n ALA 25 Cb 0.08 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 2xbl n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xbl s ASP 26 N -2.57 6.50 0.31 0.00 -1.08 -0.76 -4.92 116.67 114.15 2xbl s ASP 26 Ca 0.25 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 50.16 2xbl s ASP 26 Cb 0.19 -2.27 0.53 0.00 -1.46 0.00 0.00 42.92 39.92 2xbl s ASP 26 CO 0.51 -0.84 1.94 -0.33 0.52 0.00 0.00 175.17 176.97 2xbl h GLU 27 N 8.50 0.99 -0.57 4.34 5.08 -1.84 -1.57 114.58 129.51 2xbl h GLU 27 Ca -0.05 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2xbl h GLU 27 Cb 1.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2xbl h GLU 27 CO 0.95 0.66 0.08 -0.09 -1.00 0.00 0.00 179.01 179.61 2xbl h ARG 28 N 1.02 0.94 -0.43 2.33 2.43 -1.96 -1.56 114.38 117.16 2xbl h ARG 28 Ca 0.35 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2xbl h ARG 28 Cb 0.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2xbl h ARG 28 CO -0.12 0.91 0.25 1.25 -1.51 0.00 0.00 179.97 180.75 2xbl h LEU 29 N 0.84 0.53 -0.85 3.80 6.46 -1.70 -1.44 115.31 122.95 2xbl h LEU 29 Ca 0.17 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2xbl h LEU 29 Cb 0.43 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 2xbl h LEU 29 CO 0.01 0.45 0.52 -0.07 -0.62 0.00 0.00 178.44 178.74 2xbl h LEU 30 N 0.56 1.01 -0.95 2.25 3.38 -1.11 -1.00 115.31 119.45 2xbl h LEU 30 Ca 0.15 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2xbl h LEU 30 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2xbl h LEU 30 CO -0.03 0.77 -0.19 0.00 0.09 0.00 0.00 178.44 179.08 2xbl h ALA 31 N 1.28 1.11 -0.27 1.53 0.00 -1.07 -2.58 119.26 119.27 2xbl h ALA 31 Ca 0.31 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2xbl h ALA 31 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2xbl h ALA 31 CO -0.06 0.55 -0.45 1.15 0.00 0.00 0.00 179.25 180.45 2xbl h THR 32 N 0.50 1.30 -0.62 0.00 2.02 -0.63 -1.97 112.91 113.50 2xbl h THR 32 Ca 0.08 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.64 2xbl h THR 32 Cb 0.61 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 2xbl h THR 32 CO 0.04 0.52 0.40 0.58 0.37 0.00 0.00 175.52 177.43 2xbl h VAL 33 N 0.55 1.12 -0.65 3.16 2.07 -0.99 0.61 116.25 122.11 2xbl h VAL 33 Ca 0.04 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2xbl h VAL 33 Cb 0.99 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2xbl h VAL 33 CO 0.09 0.15 0.39 -0.09 0.02 0.00 0.00 177.57 178.13 2xbl h ARG 34 N 0.80 0.88 -0.40 1.57 2.43 -1.24 -1.77 114.38 116.65 2xbl h ARG 34 Ca 0.24 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2xbl h ARG 34 Cb -0.04 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2xbl h ARG 34 CO -0.07 0.62 -0.06 0.87 -1.51 0.00 0.00 179.97 179.82 2xbl h LYS 35 N 0.88 0.67 -0.12 0.20 1.57 -0.68 -0.72 116.57 118.37 2xbl h LYS 35 Ca 0.23 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2xbl h LYS 35 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2xbl h LYS 35 CO -0.04 0.73 0.04 0.28 -0.57 0.00 0.00 179.45 179.89 2xbl h VAL 36 N 0.62 1.16 -0.47 0.50 2.07 -0.53 0.06 116.25 119.66 2xbl h VAL 36 Ca 0.12 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2xbl h VAL 36 Cb 0.47 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2xbl h VAL 36 CO 0.02 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.99 2xbl h ALA 37 N 0.87 0.59 -0.99 1.67 0.00 -1.14 -2.10 119.26 118.17 2xbl h ALA 37 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2xbl h ALA 37 Cb 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2xbl h ALA 37 CO -0.00 -0.12 0.66 -0.44 0.00 0.00 0.00 179.25 179.34 2xbl h ASP 38 N 0.46 1.13 -0.71 0.00 3.32 -0.94 -0.25 116.42 119.43 2xbl h ASP 38 Ca 0.21 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2xbl h ASP 38 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2xbl h ASP 38 CO -0.15 0.81 0.24 0.00 -1.72 0.00 0.00 179.24 178.42 2xbl h ALA 39 N 1.39 0.93 -0.43 3.45 0.00 -0.60 -0.17 119.26 123.83 2xbl h ALA 39 Ca 0.37 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2xbl h ALA 39 Cb -0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2xbl h ALA 39 CO -0.08 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 2xbl h ILE 41 N 0.67 1.05 -0.58 0.00 2.04 -0.85 -1.29 117.51 118.55 2xbl h ILE 41 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2xbl h ILE 41 Cb 0.68 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2xbl h ILE 41 CO 0.05 0.04 0.31 0.00 0.00 0.00 0.00 178.15 178.55 2xbl h ALA 42 N 1.02 0.75 -0.21 1.87 0.00 -0.94 0.43 119.26 122.18 2xbl h ALA 42 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2xbl h ALA 42 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2xbl h ALA 42 CO -0.01 0.28 0.12 1.03 0.00 0.00 0.00 179.25 180.67 2xbl h SER 43 N 0.79 0.26 -0.56 0.00 0.87 -1.12 -2.41 113.55 111.38 2xbl h SER 43 Ca 0.20 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2xbl h SER 43 Cb 0.06 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2xbl h SER 43 CO -0.03 0.27 0.16 0.40 -0.53 0.00 0.00 176.83 177.09 2xbl h ILE 44 N 0.24 1.24 -0.04 2.23 2.04 -0.96 0.84 117.51 123.08 2xbl h ILE 44 Ca 0.07 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2xbl h ILE 44 Cb 0.06 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2xbl h ILE 44 CO -0.01 0.32 -0.04 0.00 0.00 0.00 0.00 178.15 178.42 2xbl h ALA 45 N 1.28 1.86 -0.79 1.87 0.00 -0.59 -1.82 119.26 121.07 2xbl h ALA 45 Ca 0.19 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 2xbl h ALA 45 Cb 0.30 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.91 2xbl h ALA 45 CO -0.00 0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.69 2xbl n GLN 46 N -4.46 3.55 -0.69 0.00 -0.00 -0.93 -4.90 117.38 109.94 2xbl n GLN 46 Ca -0.02 -3.07 0.00 0.00 -0.00 0.00 0.00 57.00 53.90 2xbl n GLN 46 Cb 0.14 -2.22 0.00 0.00 -0.00 0.00 0.00 30.24 28.16 2xbl n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2xbl n GLY 47 N -0.28 0.64 1.14 2.61 0.00 -0.68 -5.05 105.19 103.57 2xbl n GLY 47 Ca 0.44 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 2xbl n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xbl n GLY 48 N -2.69 0.12 3.24 -0.02 0.00 0.24 -4.99 105.19 101.08 2xbl n GLY 48 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 2xbl n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xbl s LYS 49 N -3.39 0.98 -0.20 1.61 -2.85 -1.26 -4.42 119.74 110.21 2xbl s LYS 49 Ca 0.20 -1.20 -0.05 0.00 -1.00 0.00 0.00 55.97 53.92 2xbl s LYS 49 Cb -0.01 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 2xbl s LYS 49 CO 0.14 -0.32 -0.01 0.08 0.10 0.00 0.00 175.35 175.34 2xbl s VAL 50 N -3.96 3.88 -0.05 1.79 1.01 -0.66 -1.93 120.40 120.48 2xbl s VAL 50 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 2xbl s VAL 50 Cb 0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2xbl s VAL 50 CO -0.03 0.43 0.05 -0.76 0.00 0.00 0.00 175.10 174.79 2xbl s LEU 51 N 0.99 3.79 0.02 3.92 1.43 0.52 -0.60 118.68 128.74 2xbl s LEU 51 Ca 0.01 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 2xbl s LEU 51 Cb -0.14 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2xbl s LEU 51 CO 0.02 0.33 -0.16 -0.76 0.23 0.00 0.00 176.35 176.01 2xbl s LEU 52 N -1.29 2.10 -0.02 1.79 1.02 -0.62 -0.00 118.68 121.65 2xbl s LEU 52 Ca 0.18 -0.38 -0.04 0.00 0.02 0.00 0.00 54.13 53.91 2xbl s LEU 52 Cb -0.12 -0.74 0.00 0.00 0.02 0.00 0.00 46.19 45.36 2xbl s LEU 52 CO 0.08 0.12 0.09 0.00 0.02 0.00 0.00 176.35 176.66 2xbl s ALA 53 N -0.61 -0.21 -0.07 4.21 0.00 0.04 -0.16 121.76 124.95 2xbl s ALA 53 Ca 0.04 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 2xbl s ALA 53 Cb -0.07 -0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.09 2xbl s ALA 53 CO 0.00 -0.09 1.04 0.20 0.00 0.00 0.00 175.76 176.92 2xbl s GLY 54 N -0.39 -0.38 0.02 0.00 0.00 -1.26 -0.65 107.32 104.66 2xbl s GLY 54 Ca -0.05 1.19 0.02 0.00 0.00 0.00 0.00 44.72 45.88 2xbl s GLY 54 CO 0.00 0.39 0.03 -1.31 0.00 0.00 0.00 173.10 172.21 2xbl s ASN 55 N -2.41 5.28 1.77 1.64 0.01 -1.26 -3.11 114.94 116.86 2xbl s ASN 55 Ca 0.08 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 2xbl s ASN 55 Cb -0.01 -1.40 0.00 0.00 0.41 0.00 0.00 41.25 40.25 2xbl s ASN 55 CO -0.06 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 2xbl n GLY 56 N 1.11 3.60 0.31 0.66 0.00 -1.26 -1.09 105.19 108.52 2xbl n GLY 56 Ca -0.13 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2xbl n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xbl h GLY 57 N 0.00 0.17 2.00 -0.02 0.00 -2.00 -1.76 103.07 101.45 2xbl h GLY 57 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 2xbl h GLY 57 CO 0.00 0.05 -0.23 1.76 0.00 0.00 0.00 176.54 178.11 2xbl h SER 58 N 0.14 0.00 -0.61 0.19 0.02 -1.43 -1.09 113.55 110.77 2xbl h SER 58 Ca 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 2xbl h SER 58 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2xbl h SER 58 CO -0.02 0.23 0.05 0.00 -1.14 0.00 0.00 176.83 175.96 2xbl h ALA 59 N 1.77 0.91 -0.39 3.77 0.00 -1.27 -1.05 119.26 122.99 2xbl h ALA 59 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2xbl h ALA 59 Cb 1.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2xbl h ALA 59 CO 0.03 0.66 0.13 0.00 0.00 0.00 0.00 179.25 180.07 2xbl h ALA 60 N 1.06 0.51 -0.50 0.00 0.00 -1.13 -2.75 119.26 116.45 2xbl h ALA 60 Ca 0.19 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2xbl h ALA 60 Cb 0.49 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2xbl h ALA 60 CO 0.02 0.15 -0.24 -0.44 0.00 0.00 0.00 179.25 178.73 2xbl h ASP 61 N 0.49 -0.83 -0.36 0.00 3.32 -1.04 0.06 116.42 118.06 2xbl h ASP 61 Ca 0.13 0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.40 2xbl h ASP 61 Cb 0.24 0.44 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2xbl h ASP 61 CO -0.01 -0.26 0.15 0.00 -1.72 0.00 0.00 179.24 177.41 2xbl h ALA 62 N 1.17 0.43 -0.00 3.45 0.00 -1.01 -1.77 119.26 121.53 2xbl h ALA 62 Ca 0.23 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2xbl h ALA 62 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2xbl h ALA 62 CO -0.58 -0.23 -0.79 -0.56 0.00 0.00 0.00 179.25 177.09 2xbl h GLN 63 N 0.32 0.04 -0.04 0.00 3.07 -1.21 -1.41 115.11 115.87 2xbl h GLN 63 Ca 0.15 -0.04 0.04 0.00 0.09 0.00 0.00 58.65 58.89 2xbl h GLN 63 Cb 0.09 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.62 2xbl h GLN 63 CO -0.13 0.81 -0.25 1.25 0.09 0.00 0.00 178.83 180.60 2xbl h HIS 64 N 0.02 -0.66 -0.37 0.06 2.76 -0.57 0.88 115.15 117.27 2xbl h HIS 64 Ca -0.01 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 2xbl h HIS 64 Cb 1.40 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.65 2xbl h HIS 64 CO 0.01 -0.33 -0.13 0.82 -1.30 0.00 0.00 177.93 176.99 2xbl h ILE 65 N -0.36 1.28 -0.94 6.26 1.08 -1.32 -2.38 117.51 121.13 2xbl h ILE 65 Ca 0.07 -1.23 0.11 0.00 -0.39 0.00 0.00 64.86 63.43 2xbl h ILE 65 Cb 0.46 1.29 -0.08 0.00 -3.07 0.00 0.00 36.82 35.43 2xbl h ILE 65 CO -0.25 0.41 0.57 0.00 -0.69 0.00 0.00 178.15 178.19 2xbl h ALA 66 N 0.82 1.39 -0.22 1.87 0.00 -1.04 -1.06 119.26 121.02 2xbl h ALA 66 Ca 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2xbl h ALA 66 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2xbl h ALA 66 CO 0.04 0.17 -0.14 0.78 0.00 0.00 0.00 179.25 180.10 2xbl h GLY 67 N 0.91 0.39 1.97 0.00 0.00 -0.47 -0.03 103.07 105.85 2xbl h GLY 67 Ca 0.46 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 2xbl h GLY 67 CO -0.26 0.24 -0.33 0.83 0.00 0.00 0.00 176.54 177.02 2xbl h GLU 68 N 0.34 0.00 0.04 4.80 5.08 -0.79 0.00 114.58 124.04 2xbl h GLU 68 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2xbl h GLU 68 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2xbl h GLU 68 CO 0.03 0.30 -0.02 0.74 -1.00 0.00 0.00 179.01 179.06 2xbl h PHE 69 N 0.00 -0.05 0.12 4.33 -1.00 -0.79 -3.24 116.94 116.31 2xbl h PHE 69 Ca -0.01 -0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.49 2xbl h PHE 69 Cb 1.24 0.02 0.02 0.00 3.61 0.00 0.00 35.95 40.83 2xbl h PHE 69 CO 0.00 0.52 -1.21 0.28 -1.61 0.00 0.00 178.31 176.29 2xbl h VAL 70 N -0.66 1.39 0.00 -0.55 2.07 -1.00 -0.46 116.25 117.03 2xbl h VAL 70 Ca -0.01 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.80 2xbl h VAL 70 Cb 0.59 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2xbl h VAL 70 CO 0.01 0.81 0.00 -0.24 0.02 0.00 0.00 177.57 178.17 2xbl n SER 71 N -3.68 0.00 -3.68 0.57 2.88 -0.02 -4.10 113.62 105.60 2xbl n SER 71 Ca -0.11 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.33 2xbl n SER 71 Cb 0.98 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.40 2xbl n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xbl s ARG 72 N 0.49 1.12 0.00 -1.46 1.70 -1.23 -4.58 118.95 114.99 2xbl s ARG 72 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 2xbl s ARG 72 Cb 0.00 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 2xbl s ARG 72 CO 0.00 -0.44 0.00 0.34 -1.08 0.00 0.00 175.30 174.12 2xbl n PHE 73 N -0.24 0.00 0.14 5.89 7.35 -1.22 -4.45 117.46 124.92 2xbl n PHE 73 Ca -0.14 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.58 2xbl n PHE 73 Cb 0.63 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.41 2xbl n PHE 73 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2xbl n ALA 74 N -2.42 2.56 -3.54 3.13 0.00 -1.26 -5.07 120.51 113.92 2xbl n ALA 74 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 2xbl n ALA 74 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2xbl n ALA 74 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2xbl s PHE 75 N -2.19 -0.12 -0.07 0.00 -0.12 -1.26 -5.14 117.98 109.09 2xbl s PHE 75 Ca -0.00 -0.27 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 2xbl s PHE 75 Cb 0.05 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2xbl s PHE 75 CO 0.31 -1.06 1.16 0.34 -0.05 0.00 0.00 175.22 175.92 2xbl s ASP 76 N -2.90 7.09 0.24 1.98 2.15 -1.26 -4.86 116.67 119.11 2xbl s ASP 76 Ca 0.11 1.76 -0.21 0.00 0.43 0.00 0.00 52.55 54.63 2xbl s ASP 76 Cb -0.03 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 2xbl s ASP 76 CO 0.02 -0.55 0.91 0.00 -0.17 0.00 0.00 175.17 175.38 2xbl s ARG 77 N 2.16 1.57 0.86 4.34 1.04 -1.26 -5.14 118.95 122.52 2xbl s ARG 77 Ca 0.54 -0.95 -0.11 0.00 -1.04 0.00 0.00 55.73 54.18 2xbl s ARG 77 Cb -0.23 0.48 0.11 0.00 -2.04 0.00 0.00 34.95 33.27 2xbl s ARG 77 CO 0.21 -0.73 1.11 -2.14 -0.04 0.00 0.00 175.30 173.71 2xbl s PRO 78 N -2.83 1.50 0.55 3.89 0.02 -1.26 -4.94 135.00 131.93 2xbl s PRO 78 Ca 0.16 1.26 -0.19 0.00 0.02 0.00 0.00 61.00 62.24 2xbl s PRO 78 Cb -0.03 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 2xbl s PRO 78 CO 0.06 -2.20 1.14 0.20 -0.33 0.00 0.00 177.00 175.87 2xbl s GLY 79 N -3.07 2.66 0.11 0.52 0.00 -1.26 -4.98 107.32 101.30 2xbl s GLY 79 Ca 0.64 0.86 0.03 0.00 0.00 0.00 0.00 44.72 46.25 2xbl s GLY 79 CO 0.57 1.23 0.15 1.08 0.00 0.00 0.00 173.10 176.13 2xbl s LEU 80 N -3.83 4.00 -0.85 0.66 1.43 -0.18 -4.98 118.68 114.93 2xbl s LEU 80 Ca 0.73 0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 2xbl s LEU 80 Cb -0.25 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.38 2xbl s LEU 80 CO 0.28 0.12 1.35 -2.16 0.23 0.00 0.00 176.35 176.18 2xbl s PRO 81 N -2.75 3.35 0.01 1.29 0.04 -1.26 -3.93 135.00 131.74 2xbl s PRO 81 Ca 0.32 -0.60 0.03 0.00 0.04 0.00 0.00 61.00 60.79 2xbl s PRO 81 Cb -0.12 -4.66 -0.01 0.00 0.04 0.00 0.00 34.50 29.75 2xbl s PRO 81 CO 0.25 -2.18 -0.09 0.00 0.04 0.00 0.00 177.00 175.02 2xbl s ALA 82 N 5.45 0.71 -0.08 8.56 0.00 -1.26 -1.66 121.76 133.49 2xbl s ALA 82 Ca 0.40 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2xbl s ALA 82 Cb -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2xbl s ALA 82 CO 0.05 0.13 0.00 0.08 0.00 0.00 0.00 175.76 176.03 2xbl s VAL 83 N -0.51 0.37 0.01 0.00 1.01 0.23 -4.88 120.40 116.62 2xbl s VAL 83 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2xbl s VAL 83 Cb -0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2xbl s VAL 83 CO 0.00 0.24 1.00 0.00 0.00 0.00 0.00 175.10 176.34 2xbl s ALA 84 N 1.97 3.18 -0.58 5.51 0.00 -1.26 -1.59 121.76 129.00 2xbl s ALA 84 Ca 0.05 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.62 2xbl s ALA 84 Cb -0.12 -3.35 0.31 0.00 0.00 0.00 0.00 23.12 19.95 2xbl s ALA 84 CO -0.05 -0.25 1.07 1.28 0.00 0.00 0.00 175.76 177.81 2xbl n LEU 85 N 3.91 3.23 -0.06 0.00 4.77 0.78 -3.99 117.00 125.63 2xbl n LEU 85 Ca 0.06 -1.65 0.05 0.00 -0.03 0.00 0.00 56.01 54.45 2xbl n LEU 85 Cb 0.51 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2xbl n LEU 85 CO 0.52 0.47 0.52 0.35 -1.33 0.00 0.00 177.39 177.92 2xbl n THR 86 N 0.15 1.40 -0.02 -5.08 -2.24 -1.26 -4.83 114.28 102.40 2xbl n THR 86 Ca 0.14 -1.60 -0.03 0.00 -2.27 0.00 0.00 64.05 60.29 2xbl n THR 86 Cb 0.70 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 2xbl n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2xbl n THR 87 N -0.97 0.27 -2.77 4.28 -2.24 -1.26 -4.94 114.28 106.67 2xbl n THR 87 Ca 0.09 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 2xbl n THR 87 Cb 0.49 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 2xbl n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2xbl s ASP 88 N -3.91 6.39 0.50 3.42 -1.08 -1.26 -4.89 116.67 115.83 2xbl s ASP 88 Ca -0.04 -0.18 0.29 0.00 -0.52 0.00 0.00 52.55 52.10 2xbl s ASP 88 Cb 0.01 -2.47 1.00 0.00 -1.46 0.00 0.00 42.92 40.01 2xbl s ASP 88 CO 0.14 -1.28 1.85 0.71 0.52 0.00 0.00 175.17 177.11 2xbl h THR 89 N 6.07 0.11 -0.16 1.71 1.35 -1.98 0.49 112.91 120.48 2xbl h THR 89 Ca -0.26 -0.77 -0.07 0.00 -0.55 0.00 0.00 66.41 64.76 2xbl h THR 89 Cb 1.07 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2xbl h THR 89 CO 1.11 0.05 -0.17 0.28 -0.25 0.00 0.00 175.52 176.54 2xbl h SER 90 N 0.00 0.43 -0.07 5.36 0.02 -1.98 -1.30 113.55 116.01 2xbl h SER 90 Ca -0.00 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2xbl h SER 90 Cb 0.70 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2xbl h SER 90 CO 0.01 0.82 0.04 0.40 -1.14 0.00 0.00 176.83 176.96 2xbl h ILE 91 N 0.05 1.05 -0.33 3.27 2.04 -1.86 -0.28 117.51 121.44 2xbl h ILE 91 Ca 0.03 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2xbl h ILE 91 Cb 0.70 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2xbl h ILE 91 CO 0.04 0.05 0.21 -0.07 0.00 0.00 0.00 178.15 178.37 2xbl h LEU 92 N 0.05 0.39 -0.30 1.44 3.38 -0.92 -0.91 115.31 118.44 2xbl h LEU 92 Ca 0.02 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2xbl h LEU 92 Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2xbl h LEU 92 CO -0.00 0.32 -0.86 0.71 0.09 0.00 0.00 178.44 178.69 2xbl h THR 93 N 0.43 1.55 -0.12 0.22 1.35 -1.23 -1.35 112.91 113.77 2xbl h THR 93 Ca 0.12 -2.77 -0.01 0.00 -0.55 0.00 0.00 66.41 63.21 2xbl h THR 93 Cb -0.01 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 2xbl h THR 93 CO -0.02 0.80 0.05 0.00 -0.25 0.00 0.00 175.52 176.09 2xbl h ALA 94 N 1.07 0.16 -0.30 6.62 0.00 -0.89 -0.93 119.26 124.99 2xbl h ALA 94 Ca -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2xbl h ALA 94 Cb 1.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2xbl h ALA 94 CO 0.12 -0.26 0.06 0.82 0.00 0.00 0.00 179.25 179.99 2xbl h ILE 95 N 0.05 1.23 -0.42 0.00 2.04 -1.07 0.28 117.51 119.61 2xbl h ILE 95 Ca 0.04 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.15 2xbl h ILE 95 Cb 0.16 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2xbl h ILE 95 CO -0.00 0.25 0.24 1.23 0.00 0.00 0.00 178.15 179.87 2xbl h GLY 96 N 0.31 0.58 1.52 5.37 0.00 -1.24 0.19 103.07 109.81 2xbl h GLY 96 Ca 0.09 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 2xbl h GLY 96 CO 0.00 0.15 -0.63 -0.57 0.00 0.00 0.00 176.54 175.49 2xbl h ASN 97 N 0.49 0.56 0.15 0.19 -1.24 -0.94 -2.38 115.58 112.40 2xbl h ASN 97 Ca 0.17 -0.33 -0.36 0.00 0.71 0.00 0.00 56.30 56.49 2xbl h ASN 97 Cb 0.02 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 2xbl h ASN 97 CO -0.08 1.05 -1.99 0.47 -1.29 0.00 0.00 177.43 175.58 2xbl n ASP 98 N -3.91 2.02 0.00 1.15 8.00 0.96 -4.63 116.55 120.14 2xbl n ASP 98 Ca -0.04 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2xbl n ASP 98 Cb 0.65 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 2xbl n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2xbl n TYR 99 N -3.44 0.00 0.00 1.24 4.01 0.59 -5.06 117.16 114.50 2xbl n TYR 99 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2xbl n TYR 99 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 2xbl n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xbl n GLY 100 N 1.45 2.39 0.25 2.72 0.00 -0.82 -4.69 105.19 106.49 2xbl n GLY 100 Ca 0.00 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.37 2xbl n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2xbl h TYR 101 N 0.00 0.00 0.00 1.61 3.20 -1.82 -1.91 116.97 118.04 2xbl h TYR 101 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2xbl h TYR 101 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2xbl h TYR 101 CO 0.00 0.09 -0.04 1.49 -1.64 0.00 0.00 178.16 178.06 2xbl h GLU 102 N 0.00 0.00 -0.26 1.82 4.81 -1.94 -2.24 114.58 116.78 2xbl h GLU 102 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2xbl h GLU 102 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2xbl h GLU 102 CO 0.01 0.04 0.00 1.63 -0.73 0.00 0.00 179.01 179.96 2xbl n LYS 103 N -3.48 2.11 -0.27 1.92 4.76 -0.72 -4.20 118.16 118.28 2xbl n LYS 103 Ca -0.02 -1.67 0.08 0.00 -2.87 0.00 0.00 58.31 53.83 2xbl n LYS 103 Cb 0.15 -1.45 0.22 0.00 -1.84 0.00 0.00 35.03 32.11 2xbl n LYS 103 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2xbl h LEU 104 N 3.37 -0.00 0.00 -0.35 5.85 -1.52 -2.26 115.31 120.39 2xbl h LEU 104 Ca 0.00 0.17 -0.33 0.00 0.84 0.00 0.00 57.88 58.56 2xbl h LEU 104 Cb 0.74 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 2xbl h LEU 104 CO 0.00 -0.08 -2.24 0.49 -0.34 0.00 0.00 178.44 176.27 2xbl n PHE 105 N -5.19 0.00 -0.30 1.25 3.72 -1.26 -4.29 117.46 111.40 2xbl n PHE 105 Ca 0.17 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.66 2xbl n PHE 105 Cb 0.54 -0.84 0.32 0.00 -0.94 0.00 0.00 39.48 38.56 2xbl n PHE 105 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2xbl h SER 106 N -0.02 0.77 -0.26 4.37 4.64 -1.76 -0.42 113.55 120.87 2xbl h SER 106 Ca -0.49 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 2xbl h SER 106 Cb 1.75 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.71 2xbl h SER 106 CO -0.08 0.41 -0.24 -0.09 -0.87 0.00 0.00 176.83 175.96 2xbl h ARG 107 N 0.83 0.74 -0.45 4.77 2.43 -1.63 -0.86 114.38 120.22 2xbl h ARG 107 Ca 0.45 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 2xbl h ARG 107 Cb 0.57 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2xbl h ARG 107 CO -0.22 0.91 -0.16 1.96 -1.51 0.00 0.00 179.97 180.96 2xbl h GLN 108 N 0.65 0.86 -0.47 0.20 4.20 -1.49 -1.57 115.11 117.48 2xbl h GLN 108 Ca 0.09 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2xbl h GLN 108 Cb 0.75 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2xbl h GLN 108 CO 0.06 0.96 0.25 0.28 -0.67 0.00 0.00 178.83 179.70 2xbl h VAL 109 N 0.76 1.17 -0.55 -0.54 2.07 -0.86 -0.93 116.25 117.38 2xbl h VAL 109 Ca 0.11 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2xbl h VAL 109 Cb 0.68 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2xbl h VAL 109 CO 0.05 0.19 0.29 -0.61 0.02 0.00 0.00 177.57 177.51 2xbl h GLN 110 N 0.61 0.55 -0.30 1.57 -0.00 -0.98 0.18 115.11 116.73 2xbl h GLN 110 Ca 0.16 -0.03 -0.15 0.00 -0.00 0.00 0.00 58.65 58.63 2xbl h GLN 110 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.43 2xbl h GLN 110 CO -0.02 0.36 -0.39 0.00 0.00 0.00 0.00 178.83 178.78 2xbl h ALA 111 N 1.29 0.45 0.00 3.38 0.00 -0.94 -3.38 119.26 120.06 2xbl h ALA 111 Ca 0.24 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2xbl h ALA 111 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2xbl h ALA 111 CO -0.16 0.55 -1.76 1.28 0.00 0.00 0.00 179.25 179.17 2xbl n LEU 112 N -4.15 0.00 -4.77 0.00 4.77 -0.38 -5.02 117.00 107.45 2xbl n LEU 112 Ca -0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 2xbl n LEU 112 Cb 0.54 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 2xbl n LEU 112 CO 0.47 0.21 0.94 -0.83 -1.33 0.00 0.00 177.39 176.86 2xbl s GLY 113 N -4.20 2.96 0.12 -0.72 0.00 0.61 -5.05 107.32 101.04 2xbl s GLY 113 Ca -0.06 1.19 0.09 0.00 0.00 0.00 0.00 44.72 45.94 2xbl s GLY 113 CO 0.50 1.80 -0.22 -1.31 0.00 0.00 0.00 173.10 173.87 2xbl s ASN 114 N -0.68 2.70 0.09 1.64 0.01 -1.26 -4.92 114.94 112.52 2xbl s ASN 114 Ca 0.52 -0.72 -0.36 0.00 -0.71 0.00 0.00 52.86 51.59 2xbl s ASN 114 Cb -0.37 -0.16 -0.17 0.00 0.41 0.00 0.00 41.25 40.96 2xbl s ASN 114 CO 0.49 0.07 1.27 1.21 -1.51 0.00 0.00 177.10 178.63 2xbl n GLU 115 N 0.95 1.01 0.00 -0.60 2.13 -1.22 -1.10 120.64 121.82 2xbl n GLU 115 Ca -0.18 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2xbl n GLU 115 Cb 0.54 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.29 2xbl n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2xbl n GLY 116 N 2.32 1.37 3.61 8.31 0.00 -0.04 -4.97 105.19 115.79 2xbl n GLY 116 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2xbl n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2xbl s ASP 117 N -2.75 1.88 -0.05 1.61 1.01 -0.26 -4.64 116.67 113.48 2xbl s ASP 117 Ca 0.00 1.14 0.06 0.00 0.71 0.00 0.00 52.55 54.47 2xbl s ASP 117 Cb 0.00 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 2xbl s ASP 117 CO 0.00 -3.59 -0.24 -0.69 0.21 0.00 0.00 175.17 170.86 2xbl s VAL 118 N -2.85 2.20 -0.22 -1.27 1.01 -0.81 -1.47 120.40 116.99 2xbl s VAL 118 Ca 0.67 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2xbl s VAL 118 Cb -0.19 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2xbl s VAL 118 CO 0.59 0.57 -0.01 -0.22 0.00 0.00 0.00 175.10 176.03 2xbl s LEU 119 N -0.33 3.11 -0.31 3.92 2.96 0.28 -0.36 118.68 127.96 2xbl s LEU 119 Ca 0.01 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 2xbl s LEU 119 Cb -0.12 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2xbl s LEU 119 CO 0.02 0.00 0.19 -0.63 -1.32 0.00 0.00 176.35 174.61 2xbl s ILE 120 N 1.36 5.04 -0.14 6.68 1.01 0.99 -0.64 121.20 135.51 2xbl s ILE 120 Ca 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2xbl s ILE 120 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2xbl s ILE 120 CO -0.00 0.11 -0.15 -0.83 0.00 0.00 0.00 174.94 174.06 2xbl s GLY 121 N 1.70 1.48 -0.16 6.18 0.00 0.03 -0.78 107.32 115.77 2xbl s GLY 121 Ca 0.06 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 2xbl s GLY 121 CO 0.09 -0.11 0.06 -0.19 0.00 0.00 0.00 173.10 172.95 2xbl s TYR 122 N 0.57 3.27 -0.25 1.90 2.02 0.17 -1.34 117.35 123.70 2xbl s TYR 122 Ca -0.09 0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.67 2xbl s TYR 122 Cb -0.16 -2.01 0.12 0.00 -0.40 0.00 0.00 41.96 39.51 2xbl s TYR 122 CO 0.04 0.27 0.51 0.45 -1.57 0.00 0.00 175.55 175.24 2xbl s SER 123 N -0.00 -0.61 0.19 2.29 0.15 -0.55 -4.38 113.70 110.78 2xbl s SER 123 Ca 0.06 1.09 -0.05 0.00 0.70 0.00 0.00 55.95 57.75 2xbl s SER 123 Cb -0.12 1.72 0.10 0.00 -1.71 0.00 0.00 66.02 66.01 2xbl s SER 123 CO 0.01 -0.24 1.52 0.71 1.20 0.00 0.00 173.24 176.44 2xbl h THR 124 N 6.10 1.30 0.00 6.45 1.35 -1.93 -2.88 112.91 123.30 2xbl h THR 124 Ca -0.18 -1.67 -0.09 0.00 -0.55 0.00 0.00 66.41 63.92 2xbl h THR 124 Cb 1.12 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 2xbl h THR 124 CO 0.14 0.53 -0.43 0.77 -0.25 0.00 0.00 175.52 176.28 2xbl h SER 125 N 0.53 0.00 -0.04 5.36 4.64 -1.96 -3.25 113.55 118.83 2xbl h SER 125 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2xbl h SER 125 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2xbl h SER 125 CO 0.10 0.43 -0.02 0.61 -0.87 0.00 0.00 176.83 177.08 2xbl n GLY 126 N 0.69 0.43 0.00 -0.77 0.00 -1.09 -4.85 105.19 99.60 2xbl n GLY 126 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2xbl n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xbl n LYS 127 N -2.06 5.05 -1.62 1.61 5.02 -1.26 -4.50 118.16 120.40 2xbl n LYS 127 Ca -0.01 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.82 2xbl n LYS 127 Cb 0.14 -0.61 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 2xbl n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2xbl n SER 128 N -1.08 3.33 -0.09 4.39 7.64 -1.26 -4.84 113.62 121.71 2xbl n SER 128 Ca 0.00 0.69 0.08 0.00 1.01 0.00 0.00 58.87 60.65 2xbl n SER 128 Cb 0.00 -1.42 0.43 0.00 -1.01 0.00 0.00 64.21 62.21 2xbl n SER 128 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2xbl h PRO 129 N 11.34 0.55 0.00 1.43 0.11 -1.96 -1.19 132.00 142.28 2xbl h PRO 129 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2xbl h PRO 129 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2xbl h PRO 129 CO 0.96 0.36 -0.17 -2.95 -0.21 0.00 0.00 178.00 175.99 2xbl h ASN 130 N 0.57 0.00 0.09 -2.05 7.08 -1.84 -1.23 115.58 118.19 2xbl h ASN 130 Ca 0.25 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.30 2xbl h ASN 130 Cb 0.27 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.53 2xbl h ASN 130 CO -0.07 0.17 -0.74 0.40 -2.08 0.00 0.00 177.43 175.11 2xbl h ILE 131 N 0.00 1.48 -0.72 6.14 1.08 -1.54 -2.49 117.51 121.46 2xbl h ILE 131 Ca -0.00 -2.36 0.01 0.00 -0.39 0.00 0.00 64.86 62.12 2xbl h ILE 131 Cb 0.60 2.96 -0.04 0.00 -3.07 0.00 0.00 36.82 37.27 2xbl h ILE 131 CO 0.02 0.67 0.47 -0.07 -0.69 0.00 0.00 178.15 178.56 2xbl h LEU 132 N -0.25 0.81 -1.05 1.44 3.38 -1.31 -1.96 115.31 116.37 2xbl h LEU 132 Ca -0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2xbl h LEU 132 Cb 1.52 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2xbl h LEU 132 CO 0.14 0.58 0.37 0.00 0.09 0.00 0.00 178.44 179.62 2xbl h ALA 133 N 1.27 1.26 -0.64 1.53 0.00 -1.28 -2.17 119.26 119.23 2xbl h ALA 133 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2xbl h ALA 133 Cb -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2xbl h ALA 133 CO -0.07 0.58 0.30 0.00 0.00 0.00 0.00 179.25 180.06 2xbl h ALA 134 N 1.36 0.83 -0.68 0.00 0.00 -0.93 -1.76 119.26 118.08 2xbl h ALA 134 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2xbl h ALA 134 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2xbl h ALA 134 CO -0.04 0.40 0.30 0.74 0.00 0.00 0.00 179.25 180.65 2xbl h PHE 135 N 0.89 1.01 -0.48 0.00 0.04 -1.01 0.15 116.94 117.55 2xbl h PHE 135 Ca 0.22 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 2xbl h PHE 135 Cb 0.13 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 2xbl h PHE 135 CO 0.00 0.77 0.27 0.00 -0.60 0.00 0.00 178.31 178.76 2xbl h ARG 136 N 0.96 0.66 -0.42 1.51 3.08 -1.16 -0.46 114.38 118.55 2xbl h ARG 136 Ca 0.23 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2xbl h ARG 136 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2xbl h ARG 136 CO -0.02 0.50 0.14 1.49 -1.07 0.00 0.00 179.97 181.00 2xbl h GLU 137 N 0.63 0.64 -0.39 0.04 4.57 -1.09 -2.27 114.58 116.72 2xbl h GLU 137 Ca 0.17 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2xbl h GLU 137 Cb 0.03 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 2xbl h GLU 137 CO -0.03 0.63 0.21 0.00 -1.18 0.00 0.00 179.01 178.64 2xbl h ALA 138 N 0.98 0.50 -0.70 2.92 0.00 -0.71 -2.23 119.26 120.01 2xbl h ALA 138 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2xbl h ALA 138 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2xbl h ALA 138 CO -0.01 0.03 0.43 -0.22 0.00 0.00 0.00 179.25 179.48 2xbl h LYS 139 N 0.49 0.95 0.00 0.00 1.63 -1.00 -1.00 116.57 117.64 2xbl h LYS 139 Ca 0.14 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 2xbl h LYS 139 Cb 0.07 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2xbl h LYS 139 CO -0.02 0.67 -0.11 0.00 -3.45 0.00 0.00 179.45 176.54 2xbl h ALA 140 N 1.23 1.17 -0.09 5.00 0.00 -1.02 -1.57 119.26 123.98 2xbl h ALA 140 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2xbl h ALA 140 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2xbl h ALA 140 CO -0.05 0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.97 2xbl n LYS 141 N -3.47 1.69 -2.18 0.00 5.02 -0.69 -4.92 118.16 113.61 2xbl n LYS 141 Ca -0.01 -1.02 -0.01 0.00 -2.02 0.00 0.00 58.31 55.25 2xbl n LYS 141 Cb 0.26 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2xbl n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xbl n GLY 142 N 1.15 0.48 3.83 0.72 0.00 -0.59 -3.39 105.19 107.39 2xbl n GLY 142 Ca 0.18 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 2xbl n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2xbl s MET 143 N -4.35 3.09 0.09 1.61 -1.94 -0.47 -0.86 119.30 116.47 2xbl s MET 143 Ca 0.01 -0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 53.04 2xbl s MET 143 Cb -0.00 -2.82 -0.06 0.00 2.01 0.00 0.00 34.83 33.96 2xbl s MET 143 CO 0.01 0.56 1.08 0.99 -0.01 0.00 0.00 175.02 177.66 2xbl s THR 144 N -1.52 4.25 -0.34 2.05 2.01 -0.54 -4.27 115.64 117.28 2xbl s THR 144 Ca 0.32 1.73 -0.11 0.00 0.31 0.00 0.00 61.69 63.94 2xbl s THR 144 Cb -0.12 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2xbl s THR 144 CO 0.24 0.20 0.20 0.00 -0.69 0.00 0.00 174.62 174.57 2xbl s VAL 146 N 1.62 3.52 -0.03 0.00 1.01 0.19 -0.23 120.40 126.48 2xbl s VAL 146 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2xbl s VAL 146 Cb -0.18 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2xbl s VAL 146 CO 0.07 0.45 -0.08 -0.83 0.00 0.00 0.00 175.10 174.71 2xbl s GLY 147 N 1.01 1.69 -0.22 4.51 0.00 0.15 -0.79 107.32 113.69 2xbl s GLY 147 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.75 2xbl s GLY 147 CO 0.00 -0.79 -0.12 -1.36 0.00 0.00 0.00 173.10 170.84 2xbl s PHE 148 N -0.89 2.95 0.00 1.90 0.40 -0.45 -0.60 117.98 121.30 2xbl s PHE 148 Ca 0.14 -1.54 0.00 0.00 -0.60 0.00 0.00 56.93 54.94 2xbl s PHE 148 Cb -0.11 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 2xbl s PHE 148 CO 0.04 -0.74 0.00 -2.37 0.70 0.00 0.00 175.22 172.86 2xbl n THR 149 N 4.65 0.00 -0.32 0.64 5.66 0.24 -1.48 114.28 123.67 2xbl n THR 149 Ca -0.18 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2xbl n THR 149 Cb 0.49 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2xbl n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2xbl n GLY 150 N -0.01 1.92 1.13 1.09 0.00 -1.23 -1.44 105.19 106.65 2xbl n GLY 150 Ca 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.32 2xbl n GLY 150 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2xbl n ASN 151 N 0.00 3.58 -0.45 1.61 0.23 -0.70 -3.75 115.26 115.79 2xbl n ASN 151 Ca 0.00 -1.98 0.13 0.00 -0.53 0.00 0.00 54.58 52.20 2xbl n ASN 151 Cb 0.00 -0.38 0.52 0.00 -2.08 0.00 0.00 39.78 37.84 2xbl n ASN 151 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2xbl n ARG 152 N 1.33 1.61 0.00 -3.83 1.74 -1.26 -4.99 116.66 111.25 2xbl n ARG 152 Ca 0.20 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 2xbl n ARG 152 Cb 0.56 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2xbl n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xbl n GLY 153 N 1.13 2.35 0.15 -0.13 0.00 -1.26 -5.01 105.19 102.42 2xbl n GLY 153 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2xbl n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xbl n GLY 154 N 0.00 -1.83 0.29 -0.02 0.00 -1.26 -4.62 105.19 97.75 2xbl n GLY 154 Ca 0.00 -2.01 0.16 0.00 0.00 0.00 0.00 46.02 44.16 2xbl n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2xbl h GLU 155 N 0.00 0.00 0.00 1.61 5.08 -1.95 -2.09 114.58 117.23 2xbl h GLU 155 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xbl h GLU 155 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2xbl h GLU 155 CO 0.00 0.05 -0.01 0.52 -1.00 0.00 0.00 179.01 178.57 2xbl h MET 156 N 0.00 0.00 -0.37 2.33 2.86 -1.82 -0.35 114.93 117.59 2xbl h MET 156 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2xbl h MET 156 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2xbl h MET 156 CO 0.01 0.01 -0.14 0.00 1.06 0.00 0.00 176.91 177.84 2xbl h ARG 157 N 0.00 0.67 0.05 1.72 3.08 -1.68 -1.86 114.38 116.35 2xbl h ARG 157 Ca -0.00 -0.22 -0.28 0.00 0.07 0.00 0.00 59.98 59.55 2xbl h ARG 157 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2xbl h ARG 157 CO 0.00 0.79 -1.48 0.93 -1.07 0.00 0.00 179.97 179.14 2xbl h GLU 158 N 0.61 0.10 0.00 0.04 3.07 -1.37 -3.39 114.58 113.64 2xbl h GLU 158 Ca 0.10 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 2xbl h GLU 158 Cb 0.59 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 2xbl h GLU 158 CO 0.04 0.88 -0.98 -0.07 -1.40 0.00 0.00 179.01 177.48 2xbl h LEU 159 N 0.03 0.00 -9.48 1.33 3.38 -1.09 -3.46 115.31 106.02 2xbl h LEU 159 Ca -0.21 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.13 2xbl h LEU 159 Cb 1.95 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.62 2xbl h LEU 159 CO 0.12 0.58 -0.44 0.00 0.09 0.00 0.00 178.44 178.79 2xbl h ASP 161 N 5.70 0.62 -3.63 0.00 3.32 -0.93 -3.44 116.42 118.06 2xbl h ASP 161 Ca -0.49 -0.26 -0.38 0.00 0.02 0.00 0.00 57.03 55.92 2xbl h ASP 161 Cb 1.20 -0.17 -0.32 0.00 0.22 0.00 0.00 39.33 40.25 2xbl h ASP 161 CO 0.66 0.93 -0.77 -0.76 -1.72 0.00 0.00 179.24 177.59 2xbl s LEU 162 N -8.59 1.55 -0.08 1.55 1.43 -0.97 -5.04 118.68 108.53 2xbl s LEU 162 Ca -0.08 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2xbl s LEU 162 Cb 0.12 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.99 2xbl s LEU 162 CO 0.82 -0.01 -0.03 -0.22 0.23 0.00 0.00 176.35 177.14 2xbl s LEU 163 N 0.55 0.90 -0.27 1.79 2.96 -1.26 -0.67 118.68 122.67 2xbl s LEU 163 Ca -0.07 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 2xbl s LEU 163 Cb -0.10 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 2xbl s LEU 163 CO -0.00 -0.14 0.24 -0.76 -1.32 0.00 0.00 176.35 174.37 2xbl s LEU 164 N 1.69 4.03 -0.35 -0.68 1.43 0.24 -4.98 118.68 120.06 2xbl s LEU 164 Ca 0.02 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2xbl s LEU 164 Cb -0.13 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 43.96 2xbl s LEU 164 CO -0.05 -0.08 0.09 -1.61 0.23 0.00 0.00 176.35 174.93 2xbl s GLU 165 N 1.81 2.17 0.20 1.70 2.02 -1.26 -0.59 118.70 124.76 2xbl s GLU 165 Ca 0.09 -1.55 -0.30 0.00 0.02 0.00 0.00 54.97 53.24 2xbl s GLU 165 Cb -0.16 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 30.63 2xbl s GLU 165 CO 0.10 -0.84 1.26 0.08 0.02 0.00 0.00 175.26 175.89 2xbl s VAL 166 N 1.18 3.33 -1.36 2.63 1.01 -0.52 -4.87 120.40 121.81 2xbl s VAL 166 Ca 0.02 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 2xbl s VAL 166 Cb -0.21 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2xbl s VAL 166 CO -0.03 0.18 2.56 -0.81 0.00 0.00 0.00 175.10 177.00 2xbl n PRO 167 N 2.43 3.00 -3.59 2.72 -0.04 -1.26 -2.23 135.00 136.02 2xbl n PRO 167 Ca 0.05 -2.04 -0.16 0.00 -0.04 0.00 0.00 63.50 61.31 2xbl n PRO 167 Cb 0.44 -2.79 -0.07 0.00 -0.04 0.00 0.00 33.50 31.04 2xbl n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2xbl s SER 168 N 2.85 -0.55 0.00 3.54 0.15 -1.26 -4.92 113.70 113.51 2xbl s SER 168 Ca 0.58 0.62 0.23 0.00 0.70 0.00 0.00 55.95 58.07 2xbl s SER 168 Cb 0.15 0.56 0.12 0.00 -1.71 0.00 0.00 66.02 65.14 2xbl s SER 168 CO -0.05 -0.53 1.18 0.00 1.20 0.00 0.00 173.24 175.04 2xbl n ALA 169 N 1.17 2.80 -2.55 5.45 0.00 -1.26 -1.72 120.51 124.40 2xbl n ALA 169 Ca -0.19 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 2xbl n ALA 169 Cb 0.57 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 2xbl n ALA 169 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xbl s ASP 170 N -2.08 6.28 0.21 0.00 2.15 -1.26 -4.99 116.67 116.99 2xbl s ASP 170 Ca 0.24 -0.13 -0.20 0.00 0.43 0.00 0.00 52.55 52.89 2xbl s ASP 170 Cb 0.19 -2.25 0.19 0.00 -0.30 0.00 0.00 42.92 40.74 2xbl s ASP 170 CO 0.37 -0.47 1.56 0.74 -0.17 0.00 0.00 175.17 177.20 2xbl h THR 171 N 5.62 0.04 -0.83 1.71 2.02 -1.92 0.01 112.91 119.56 2xbl h THR 171 Ca -0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2xbl h THR 171 Cb 1.13 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2xbl h THR 171 CO 0.76 0.00 0.41 1.55 0.37 0.00 0.00 175.52 178.61 2xbl h PRO 172 N -0.04 1.18 -0.45 6.66 0.13 -1.99 -0.33 132.00 137.15 2xbl h PRO 172 Ca 0.30 -0.16 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 2xbl h PRO 172 Cb 0.57 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 2xbl h PRO 172 CO -0.91 0.90 -0.06 0.87 -0.23 0.00 0.00 178.00 178.56 2xbl h LYS 173 N 1.17 0.77 -0.33 0.86 1.79 -1.48 -1.50 116.57 117.86 2xbl h LYS 173 Ca 0.29 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2xbl h LYS 173 Cb 0.10 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2xbl h LYS 173 CO -0.04 0.82 0.07 0.82 -1.08 0.00 0.00 179.45 180.05 2xbl h ILE 174 N 0.71 1.22 -0.82 1.86 2.04 -0.63 -2.02 117.51 119.87 2xbl h ILE 174 Ca 0.13 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.25 2xbl h ILE 174 Cb 0.52 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2xbl h ILE 174 CO 0.03 0.25 0.53 1.56 0.00 0.00 0.00 178.15 180.52 2xbl h GLN 175 N 0.37 1.02 -0.57 2.37 4.20 -0.78 0.32 115.11 122.04 2xbl h GLN 175 Ca 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2xbl h GLN 175 Cb 0.31 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2xbl h GLN 175 CO 0.00 0.68 0.37 0.93 -0.67 0.00 0.00 178.83 180.13 2xbl h GLU 176 N 1.05 0.75 -0.82 1.46 5.08 -1.15 -0.74 114.58 120.22 2xbl h GLU 176 Ca 0.32 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2xbl h GLU 176 Cb -0.04 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 2xbl h GLU 176 CO -0.10 0.51 0.53 0.78 -1.00 0.00 0.00 179.01 179.74 2xbl h GLY 177 N 0.77 1.16 1.16 -3.84 0.00 -0.72 -2.38 103.07 99.22 2xbl h GLY 177 Ca 0.21 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2xbl h GLY 177 CO -0.04 0.39 0.46 0.45 0.00 0.00 0.00 176.54 177.80 2xbl h HIS 178 N 1.08 1.09 -0.39 5.60 3.86 -0.14 -0.87 115.15 125.37 2xbl h HIS 178 Ca 0.31 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2xbl h HIS 178 Cb -0.08 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.02 2xbl h HIS 178 CO -0.02 0.74 -0.04 1.25 0.86 0.00 0.00 177.93 180.72 2xbl h LEU 179 N 1.12 0.71 -0.21 2.43 5.85 -0.82 0.14 115.31 124.53 2xbl h LEU 179 Ca 0.29 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2xbl h LEU 179 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2xbl h LEU 179 CO -0.05 0.88 0.09 0.58 -0.34 0.00 0.00 178.44 179.60 2xbl h VAL 180 N 0.53 0.98 -0.46 1.05 2.07 -0.99 -0.49 116.25 118.94 2xbl h VAL 180 Ca 0.11 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 2xbl h VAL 180 Cb 0.54 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2xbl h VAL 180 CO 0.03 0.04 -0.24 -0.07 0.02 0.00 0.00 177.57 177.35 2xbl h LEU 181 N 0.21 0.98 -0.97 2.57 3.38 -1.00 -2.59 115.31 117.90 2xbl h LEU 181 Ca 0.09 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2xbl h LEU 181 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2xbl h LEU 181 CO -0.07 1.16 0.34 1.23 0.09 0.00 0.00 178.44 181.20 2xbl h GLY 182 N 0.88 1.16 1.00 0.83 0.00 -0.55 -1.38 103.07 105.02 2xbl h GLY 182 Ca 0.10 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2xbl h GLY 182 CO 0.07 0.55 0.40 0.45 0.00 0.00 0.00 176.54 178.01 2xbl h HIS 183 N 1.07 0.89 -0.38 5.60 3.86 -0.93 -1.09 115.15 124.17 2xbl h HIS 183 Ca 0.26 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2xbl h HIS 183 Cb 0.13 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 2xbl h HIS 183 CO 0.01 0.60 0.18 0.82 0.86 0.00 0.00 177.93 180.41 2xbl h ILE 184 N 0.91 1.17 -0.39 2.45 2.04 -1.05 -0.49 117.51 122.15 2xbl h ILE 184 Ca 0.24 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2xbl h ILE 184 Cb -0.02 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2xbl h ILE 184 CO -0.04 0.18 0.17 0.58 0.00 0.00 0.00 178.15 179.04 2xbl h VAL 185 N 0.47 0.93 -0.18 1.67 2.07 -0.94 -0.71 116.25 119.56 2xbl h VAL 185 Ca 0.13 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2xbl h VAL 185 Cb 0.12 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2xbl h VAL 185 CO -0.02 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.53 2xbl h GLY 187 N -0.09 0.95 0.90 0.00 0.00 -0.64 0.36 103.07 104.55 2xbl h GLY 187 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2xbl h GLY 187 CO -0.24 0.27 -0.00 1.41 0.00 0.00 0.00 176.54 177.97 2xbl h LEU 188 N 0.82 0.56 -0.16 3.11 3.38 -0.81 -1.26 115.31 120.94 2xbl h LEU 188 Ca 0.26 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2xbl h LEU 188 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2xbl h LEU 188 CO -0.10 0.74 0.07 0.58 0.09 0.00 0.00 178.44 179.81 2xbl h VAL 189 N 0.37 1.14 -0.33 1.22 2.07 -0.91 -1.39 116.25 118.43 2xbl h VAL 189 Ca 0.09 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2xbl h VAL 189 Cb 0.45 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2xbl h VAL 189 CO 0.02 0.13 0.13 -0.08 0.02 0.00 0.00 177.57 177.79 2xbl h GLU 190 N 0.11 0.27 -0.42 1.57 4.81 -0.88 -1.42 114.58 118.62 2xbl h GLU 190 Ca 0.05 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2xbl h GLU 190 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2xbl h GLU 190 CO -0.01 0.18 -0.05 1.25 -0.73 0.00 0.00 179.01 179.65 2xbl h HIS 191 N 0.28 0.86 -0.48 0.92 2.76 -1.18 -0.73 115.15 117.58 2xbl h HIS 191 Ca 0.15 -0.17 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2xbl h HIS 191 Cb 0.10 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 2xbl h HIS 191 CO -0.13 0.87 0.20 1.03 -1.30 0.00 0.00 177.93 178.60 2xbl h SER 192 N 0.61 0.66 0.44 3.26 0.87 -1.03 0.20 113.55 118.54 2xbl h SER 192 Ca 0.11 -0.16 -0.30 0.00 -1.23 0.00 0.00 61.79 60.21 2xbl h SER 192 Cb 0.56 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2xbl h SER 192 CO 0.03 0.64 -1.34 0.40 -0.53 0.00 0.00 176.83 176.03 2xbl h ILE 193 N 0.63 1.39 -0.00 2.23 2.04 -1.25 -3.39 117.51 119.16 2xbl h ILE 193 Ca 0.16 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.16 2xbl h ILE 193 Cb 0.18 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2xbl h ILE 193 CO -0.01 0.85 -0.01 0.49 0.00 0.00 0.00 178.15 179.46 2xbl n PHE 194 N -3.63 0.00 -0.25 1.37 3.72 -0.28 -4.63 117.46 113.75 2xbl n PHE 194 Ca -0.12 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.29 2xbl n PHE 194 Cb 1.06 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.68 2xbl n PHE 194 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2xbl h GLY 195 N 0.56 0.54 -1.19 1.37 0.00 -0.67 -3.49 103.07 100.19 2xbl h GLY 195 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2xbl h GLY 195 CO 0.00 -0.28 0.00 0.28 0.00 0.00 0.00 176.54 176.54