#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 0.59 -0.01 1.20 2.43 -2.06 -2.73 114.38 113.80 2xbl h ARG 4 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2xbl h ARG 4 Cb 0.00 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2xbl h ARG 4 CO 0.00 0.46 0.00 0.93 -1.51 0.00 0.00 179.97 179.85 2xbl h GLU 5 N 0.59 0.01 -0.99 0.20 3.07 -2.05 -1.71 114.58 113.70 2xbl h GLU 5 Ca 0.15 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 2xbl h GLU 5 Cb 0.07 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.92 2xbl h GLU 5 CO -0.02 0.19 0.65 1.25 -1.40 0.00 0.00 179.01 179.68 2xbl h LEU 6 N -0.17 1.11 -0.32 1.33 5.85 -1.96 -0.47 115.31 120.69 2xbl h LEU 6 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2xbl h LEU 6 Cb 0.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2xbl h LEU 6 CO -0.00 0.79 0.20 0.74 -0.34 0.00 0.00 178.44 179.83 2xbl h THR 7 N 1.30 1.09 -0.32 1.05 2.02 -1.31 0.11 112.91 116.86 2xbl h THR 7 Ca 0.38 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.37 2xbl h THR 7 Cb -0.08 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2xbl h THR 7 CO -0.10 0.09 0.19 0.22 0.37 0.00 0.00 175.52 176.29 2xbl h TYR 8 N 0.42 0.35 -0.25 3.16 3.20 -0.65 0.92 116.97 124.13 2xbl h TYR 8 Ca 0.12 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2xbl h TYR 8 Cb -0.02 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 2xbl h TYR 8 CO -0.05 0.21 0.09 0.82 -1.64 0.00 0.00 178.16 177.59 2xbl h ILE 9 N 0.38 0.95 -0.14 1.81 2.04 -0.89 -1.66 117.51 120.00 2xbl h ILE 9 Ca 0.13 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2xbl h ILE 9 Cb 0.00 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2xbl h ILE 9 CO -0.06 0.04 0.01 0.74 0.00 0.00 0.00 178.15 178.88 2xbl h THR 10 N 0.21 1.24 -0.91 -0.27 2.02 -0.74 -2.41 112.91 112.05 2xbl h THR 10 Ca 0.11 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.58 2xbl h THR 10 Cb 0.07 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 2xbl h THR 10 CO -0.10 0.23 0.57 0.78 0.37 0.00 0.00 175.52 177.37 2xbl h ASN 11 N -0.01 0.89 -0.47 4.18 2.35 -0.76 -0.33 115.58 121.43 2xbl h ASN 11 Ca 0.04 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2xbl h ASN 11 Cb 0.34 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2xbl h ASN 11 CO 0.01 0.55 0.04 0.28 -1.65 0.00 0.00 177.43 176.66 2xbl h SER 12 N 1.01 0.78 -0.31 5.81 0.02 -1.08 -0.82 113.55 118.97 2xbl h SER 12 Ca 0.41 -0.28 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 2xbl h SER 12 Cb 0.23 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2xbl h SER 12 CO -0.19 0.86 -0.48 0.40 -1.14 0.00 0.00 176.83 176.28 2xbl h ILE 13 N 0.66 1.28 -0.67 3.27 2.04 -1.10 -2.44 117.51 120.54 2xbl h ILE 13 Ca 0.14 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 2xbl h ILE 13 Cb 0.44 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2xbl h ILE 13 CO 0.02 0.54 0.31 0.00 0.00 0.00 0.00 178.15 179.02 2xbl h ALA 14 N 0.70 1.29 -0.20 1.87 0.00 -0.91 -0.48 119.26 121.52 2xbl h ALA 14 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2xbl h ALA 14 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2xbl h ALA 14 CO 0.11 0.55 -0.44 1.49 0.00 0.00 0.00 179.25 180.95 2xbl h GLU 15 N 0.95 0.49 -0.68 0.00 4.57 -1.07 -0.70 114.58 118.14 2xbl h GLU 15 Ca 0.23 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2xbl h GLU 15 Cb 0.11 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2xbl h GLU 15 CO -0.03 0.84 0.31 0.00 -1.18 0.00 0.00 179.01 178.95 2xbl h ALA 16 N 1.12 0.88 -0.57 2.92 0.00 -0.92 -0.40 119.26 122.30 2xbl h ALA 16 Ca 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2xbl h ALA 16 Cb 0.94 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2xbl h ALA 16 CO 0.08 0.46 0.36 0.37 0.00 0.00 0.00 179.25 180.52 2xbl h GLN 17 N 0.95 0.70 -0.59 0.00 4.15 -0.72 -0.62 115.11 118.98 2xbl h GLN 17 Ca 0.23 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2xbl h GLN 17 Cb 0.14 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2xbl h GLN 17 CO -0.03 0.46 0.33 -0.09 -1.93 0.00 0.00 178.83 177.57 2xbl h ARG 18 N 0.72 0.82 -0.41 1.69 2.43 -0.64 -1.01 114.38 117.97 2xbl h ARG 18 Ca 0.22 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2xbl h ARG 18 Cb -0.02 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2xbl h ARG 18 CO -0.08 0.62 0.25 0.28 -1.51 0.00 0.00 179.97 179.53 2xbl h VAL 19 N 0.80 1.13 -0.75 0.20 2.07 -0.75 -0.03 116.25 118.91 2xbl h VAL 19 Ca 0.21 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2xbl h VAL 19 Cb 0.03 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2xbl h VAL 19 CO -0.03 0.13 0.45 0.24 0.02 0.00 0.00 177.57 178.38 2xbl h MET 20 N 0.54 0.83 -0.64 1.57 2.86 -0.74 -1.05 114.93 118.30 2xbl h MET 20 Ca 0.15 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2xbl h MET 20 Cb -0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 2xbl h MET 20 CO -0.03 0.55 0.05 0.00 1.06 0.00 0.00 176.91 178.54 2xbl h ALA 21 N 1.35 0.85 -0.65 6.32 0.00 -0.72 -1.22 119.26 125.18 2xbl h ALA 21 Ca 0.32 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2xbl h ALA 21 Cb 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2xbl h ALA 21 CO -0.15 0.66 0.17 0.00 0.00 0.00 0.00 179.25 179.93 2xbl h ALA 22 N 1.02 0.86 -0.61 0.00 0.00 -0.60 -2.50 119.26 117.43 2xbl h ALA 22 Ca 0.19 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2xbl h ALA 22 Cb 0.51 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2xbl h ALA 22 CO 0.02 0.57 0.03 0.52 0.00 0.00 0.00 179.25 180.39 2xbl h MET 23 N 0.97 1.04 -0.59 0.00 2.86 -0.91 -2.28 114.93 116.01 2xbl h MET 23 Ca 0.21 -0.31 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2xbl h MET 23 Cb 0.35 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2xbl h MET 23 CO 0.00 1.00 0.39 1.25 1.06 0.00 0.00 176.91 180.61 2xbl h LEU 24 N 0.96 0.56 -1.21 1.22 5.85 -0.97 -2.21 115.31 119.50 2xbl h LEU 24 Ca 0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2xbl h LEU 24 Cb 0.51 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2xbl h LEU 24 CO 0.02 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.50 2xbl n ALA 25 N -2.47 2.54 -3.09 1.25 0.00 -0.96 -4.74 120.51 113.04 2xbl n ALA 25 Ca 0.08 -0.51 -0.45 0.00 0.00 0.00 0.00 53.44 52.55 2xbl n ALA 25 Cb 0.18 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.98 6.70 0.30 0.00 -1.08 -0.83 -4.90 116.67 114.88 2xbl s ASP 26 Ca 0.35 -2.34 0.02 0.00 -0.52 0.00 0.00 52.55 50.07 2xbl s ASP 26 Cb 0.21 -2.32 0.59 0.00 -1.46 0.00 0.00 42.92 39.94 2xbl s ASP 26 CO 0.32 -0.85 1.87 -0.33 0.52 0.00 0.00 175.17 176.71 2xbl h GLU 27 N 8.36 0.93 -0.01 4.34 5.08 -1.85 -1.58 114.58 129.85 2xbl h GLU 27 Ca 0.14 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 2xbl h GLU 27 Cb 1.03 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2xbl h GLU 27 CO 0.97 0.61 -0.88 0.07 -1.00 0.00 0.00 179.01 178.78 2xbl h ARG 28 N 0.95 0.36 -0.37 2.33 -0.00 -1.96 -1.45 114.38 114.24 2xbl h ARG 28 Ca 0.44 -0.37 -0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2xbl h ARG 28 Cb 0.41 0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.46 2xbl h ARG 28 CO -0.20 1.04 0.23 1.25 -0.00 0.00 0.00 179.97 182.29 2xbl h LEU 29 N 0.21 0.44 -0.68 0.08 5.85 -1.77 -0.15 115.31 119.29 2xbl h LEU 29 Ca -0.06 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2xbl h LEU 29 Cb 1.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2xbl h LEU 29 CO 0.15 0.36 0.25 -0.07 -0.34 0.00 0.00 178.44 178.79 2xbl h LEU 30 N 0.49 0.96 -0.98 2.25 3.38 -1.18 -0.14 115.31 120.09 2xbl h LEU 30 Ca 0.13 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2xbl h LEU 30 Cb -0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 2xbl h LEU 30 CO -0.03 0.89 0.65 0.00 0.09 0.00 0.00 178.44 180.04 2xbl h ALA 31 N 1.11 1.25 -0.42 1.53 0.00 -1.09 -2.71 119.26 118.93 2xbl h ALA 31 Ca 0.23 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2xbl h ALA 31 Cb 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2xbl h ALA 31 CO -0.01 0.62 -0.28 1.15 0.00 0.00 0.00 179.25 180.73 2xbl h THR 32 N 1.32 1.27 -0.54 0.00 2.02 -0.33 -2.16 112.91 114.49 2xbl h THR 32 Ca 0.36 -1.44 0.07 0.00 0.77 0.00 0.00 66.41 66.17 2xbl h THR 32 Cb -0.14 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 2xbl h THR 32 CO -0.08 0.49 0.23 0.58 0.37 0.00 0.00 175.52 177.10 2xbl h VAL 33 N 0.78 0.86 -0.68 3.16 2.07 -0.87 -0.43 116.25 121.13 2xbl h VAL 33 Ca 0.09 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2xbl h VAL 33 Cb 0.84 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2xbl h VAL 33 CO 0.07 0.08 0.40 -0.09 0.02 0.00 0.00 177.57 178.05 2xbl h ARG 34 N 0.43 0.74 -0.13 1.57 9.65 -1.22 -1.97 114.38 123.45 2xbl h ARG 34 Ca 0.26 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 59.01 2xbl h ARG 34 Cb 0.25 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2xbl h ARG 34 CO -0.23 0.49 -0.27 0.87 2.80 0.00 0.00 179.97 183.63 2xbl h LYS 35 N 0.76 0.23 -0.10 0.20 1.57 -0.72 -1.30 116.57 117.21 2xbl h LYS 35 Ca 0.29 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2xbl h LYS 35 Cb 0.11 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2xbl h LYS 35 CO -0.15 0.49 -0.01 0.28 -0.57 0.00 0.00 179.45 179.49 2xbl h VAL 36 N 0.21 1.27 -0.62 0.50 2.07 -0.53 -0.66 116.25 118.49 2xbl h VAL 36 Ca 0.03 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2xbl h VAL 36 Cb 0.59 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 2xbl h VAL 36 CO 0.04 0.24 0.36 0.00 0.02 0.00 0.00 177.57 178.23 2xbl h ALA 37 N 0.72 0.82 -0.89 1.67 0.00 -1.25 -1.85 119.26 118.47 2xbl h ALA 37 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2xbl h ALA 37 Cb 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2xbl h ALA 37 CO 0.01 0.06 0.58 -0.44 0.00 0.00 0.00 179.25 179.46 2xbl h ASP 38 N 0.68 0.98 -0.77 0.00 3.32 -1.09 -0.24 116.42 119.30 2xbl h ASP 38 Ca 0.27 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2xbl h ASP 38 Cb 0.11 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2xbl h ASP 38 CO -0.15 0.69 0.28 0.00 -1.72 0.00 0.00 179.24 178.34 2xbl h ALA 39 N 1.35 1.03 -0.29 3.45 0.00 -0.62 -0.16 119.26 124.02 2xbl h ALA 39 Ca 0.34 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2xbl h ALA 39 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2xbl h ALA 39 CO -0.10 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 2xbl h ILE 41 N 0.32 0.99 -0.25 0.00 2.04 -0.86 -1.08 117.51 118.66 2xbl h ILE 41 Ca 0.08 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2xbl h ILE 41 Cb 0.51 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2xbl h ILE 41 CO 0.02 0.05 0.14 0.00 0.00 0.00 0.00 178.15 178.37 2xbl h ALA 42 N 1.15 0.32 0.05 1.87 0.00 -0.98 -0.90 119.26 120.77 2xbl h ALA 42 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2xbl h ALA 42 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2xbl h ALA 42 CO -0.08 -0.15 -0.21 1.03 0.00 0.00 0.00 179.25 179.83 2xbl h SER 43 N 0.30 -0.61 -0.77 0.00 0.87 -1.10 -2.50 113.55 109.75 2xbl h SER 43 Ca 0.09 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2xbl h SER 43 Cb 0.05 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 2xbl h SER 43 CO -0.02 -0.29 0.51 0.40 -0.53 0.00 0.00 176.83 176.90 2xbl h ILE 44 N -0.36 1.11 -0.03 2.23 2.04 -1.06 0.71 117.51 122.14 2xbl h ILE 44 Ca 0.04 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2xbl h ILE 44 Cb 0.42 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2xbl h ILE 44 CO -0.16 0.17 -0.21 0.00 0.00 0.00 0.00 178.15 177.95 2xbl h ALA 45 N 1.56 1.61 -0.65 1.87 0.00 -0.74 -2.01 119.26 120.90 2xbl h ALA 45 Ca 0.31 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2xbl h ALA 45 Cb 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2xbl h ALA 45 CO -0.09 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.60 2xbl n GLN 46 N -4.27 4.09 -0.39 0.00 -0.00 -0.86 -4.90 117.38 111.05 2xbl n GLN 46 Ca -0.02 -3.11 0.00 0.00 -0.00 0.00 0.00 57.00 53.87 2xbl n GLN 46 Cb 0.28 -2.21 0.00 0.00 -0.00 0.00 0.00 30.24 28.31 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 0.08 0.78 2.56 2.61 0.00 -0.76 -5.07 105.19 105.40 2xbl n GLY 47 Ca 0.35 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.39 0.57 3.16 -0.02 0.00 0.19 -4.98 105.19 101.72 2xbl n GLY 48 Ca 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.22 0.85 -0.22 1.61 -2.85 -1.26 -4.36 119.74 109.29 2xbl s LYS 49 Ca 0.44 -1.30 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 2xbl s LYS 49 Cb -0.02 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2xbl s LYS 49 CO 0.29 -0.23 0.02 0.08 0.10 0.00 0.00 175.35 175.61 2xbl s VAL 50 N -3.98 4.01 -0.06 1.79 1.01 -0.64 -2.04 120.40 120.49 2xbl s VAL 50 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2xbl s VAL 50 Cb 0.07 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2xbl s VAL 50 CO -0.03 0.40 0.07 -0.76 0.00 0.00 0.00 175.10 174.78 2xbl s LEU 51 N 1.21 3.89 -0.01 3.92 1.43 0.72 -0.71 118.68 129.14 2xbl s LEU 51 Ca 0.03 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2xbl s LEU 51 Cb -0.15 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 2xbl s LEU 51 CO 0.02 0.34 -0.16 -0.76 0.23 0.00 0.00 176.35 176.01 2xbl s LEU 52 N -1.30 2.04 -0.02 1.79 1.02 -0.67 0.02 118.68 121.57 2xbl s LEU 52 Ca 0.18 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 54.00 2xbl s LEU 52 Cb -0.12 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.28 2xbl s LEU 52 CO 0.08 0.19 0.07 0.00 0.02 0.00 0.00 176.35 176.70 2xbl s ALA 53 N -0.41 -0.15 -0.13 4.21 0.00 -0.17 -0.07 121.76 125.04 2xbl s ALA 53 Ca 0.06 0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.71 2xbl s ALA 53 Cb -0.06 -0.04 0.13 0.00 0.00 0.00 0.00 23.12 23.14 2xbl s ALA 53 CO -0.00 -0.08 1.14 0.20 0.00 0.00 0.00 175.76 177.02 2xbl s GLY 54 N -0.42 -0.34 -0.02 0.00 0.00 -1.26 -1.00 107.32 104.28 2xbl s GLY 54 Ca -0.05 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.07 2xbl s GLY 54 CO 0.00 0.45 -0.06 -1.31 0.00 0.00 0.00 173.10 172.18 2xbl s ASN 55 N -2.32 4.68 1.72 1.64 0.01 -1.26 -3.36 114.94 116.05 2xbl s ASN 55 Ca 0.09 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 2xbl s ASN 55 Cb -0.01 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.52 2xbl s ASN 55 CO -0.05 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 2xbl n GLY 56 N 1.75 3.58 0.33 0.66 0.00 -1.26 -1.11 105.19 109.14 2xbl n GLY 56 Ca -0.16 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 0.56 2.00 -0.02 0.00 -2.00 -1.17 103.07 102.44 2xbl h GLY 57 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2xbl h GLY 57 CO 0.00 0.14 -0.13 1.76 0.00 0.00 0.00 176.54 178.30 2xbl h SER 58 N 0.45 0.00 -0.10 0.19 0.02 -1.44 -1.99 113.55 110.69 2xbl h SER 58 Ca 0.22 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2xbl h SER 58 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2xbl h SER 58 CO -0.06 0.13 -0.33 0.00 -1.14 0.00 0.00 176.83 175.43 2xbl h ALA 59 N 1.87 0.91 -0.48 3.77 0.00 -1.18 -1.74 119.26 122.40 2xbl h ALA 59 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2xbl h ALA 59 Cb 0.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2xbl h ALA 59 CO 0.02 0.62 0.23 0.00 0.00 0.00 0.00 179.25 180.12 2xbl h ALA 60 N 1.14 0.62 -0.48 0.00 0.00 -1.11 -2.76 119.26 116.67 2xbl h ALA 60 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2xbl h ALA 60 Cb 0.82 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2xbl h ALA 60 CO 0.07 0.19 0.10 -0.44 0.00 0.00 0.00 179.25 179.17 2xbl h ASP 61 N 0.64 0.02 -0.06 0.00 3.32 -1.20 0.75 116.42 119.88 2xbl h ASP 61 Ca 0.17 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.33 2xbl h ASP 61 Cb 0.13 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2xbl h ASP 61 CO -0.02 0.04 -0.13 0.00 -1.72 0.00 0.00 179.24 177.41 2xbl h ALA 62 N 1.37 -0.10 0.00 3.45 0.00 -1.09 -0.92 119.26 121.97 2xbl h ALA 62 Ca 0.24 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 2xbl h ALA 62 Cb 0.31 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2xbl h ALA 62 CO -0.31 -0.60 -0.75 -0.56 0.00 0.00 0.00 179.25 177.03 2xbl h GLN 63 N -0.18 0.00 -0.12 0.00 3.07 -1.29 -1.69 115.11 114.90 2xbl h GLN 63 Ca 0.06 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.84 2xbl h GLN 63 Cb 0.27 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.79 2xbl h GLN 63 CO -0.17 0.75 -0.15 1.25 0.09 0.00 0.00 178.83 180.61 2xbl h HIS 64 N 0.00 -0.38 -0.28 0.06 2.76 -0.48 0.68 115.15 117.51 2xbl h HIS 64 Ca -0.01 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.04 2xbl h HIS 64 Cb 1.34 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 30.49 2xbl h HIS 64 CO 0.00 -0.22 -0.40 0.82 -1.30 0.00 0.00 177.93 176.83 2xbl h ILE 65 N -0.19 1.30 -0.77 6.26 1.08 -1.14 -2.55 117.51 121.49 2xbl h ILE 65 Ca 0.09 -1.59 0.10 0.00 -0.39 0.00 0.00 64.86 63.07 2xbl h ILE 65 Cb 0.32 1.64 -0.07 0.00 -3.07 0.00 0.00 36.82 35.64 2xbl h ILE 65 CO -0.23 0.51 0.41 0.00 -0.69 0.00 0.00 178.15 178.14 2xbl h ALA 66 N 0.68 1.09 -0.17 1.87 0.00 -1.13 -0.81 119.26 120.78 2xbl h ALA 66 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2xbl h ALA 66 Cb 1.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2xbl h ALA 66 CO 0.09 -0.00 -0.08 0.78 0.00 0.00 0.00 179.25 180.04 2xbl h GLY 67 N 0.67 0.28 1.95 0.00 0.00 -0.62 0.32 103.07 105.68 2xbl h GLY 67 Ca 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2xbl h GLY 67 CO -0.27 0.15 -0.10 0.83 0.00 0.00 0.00 176.54 177.15 2xbl h GLU 68 N 0.26 0.00 0.03 4.80 5.08 -0.83 -0.62 114.58 123.30 2xbl h GLU 68 Ca 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2xbl h GLU 68 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2xbl h GLU 68 CO 0.02 0.05 -0.52 0.74 -1.00 0.00 0.00 179.01 178.30 2xbl h PHE 69 N 0.00 0.46 0.23 4.33 -1.00 -0.50 -3.30 116.94 117.16 2xbl h PHE 69 Ca -0.00 -0.27 -0.34 0.00 2.81 0.00 0.00 57.97 60.17 2xbl h PHE 69 Cb 1.04 -0.04 0.03 0.00 3.61 0.00 0.00 35.95 40.58 2xbl h PHE 69 CO 0.00 1.12 -1.54 0.28 -1.61 0.00 0.00 178.31 176.56 2xbl h VAL 70 N -0.33 1.21 0.00 -0.55 2.07 -0.96 0.00 116.25 117.69 2xbl h VAL 70 Ca -0.07 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.76 2xbl h VAL 70 Cb 1.28 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 2xbl h VAL 70 CO 0.10 0.83 0.00 -0.24 0.02 0.00 0.00 177.57 178.28 2xbl n SER 71 N -3.67 0.00 -3.82 0.57 2.88 -0.24 -4.10 113.62 105.24 2xbl n SER 71 Ca -0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.26 2xbl n SER 71 Cb 1.09 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.49 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 0.35 0.98 0.00 -1.46 1.70 -1.25 -4.57 118.95 114.70 2xbl s ARG 72 Ca 0.00 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 2xbl s ARG 72 Cb 0.00 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 2xbl s ARG 72 CO 0.00 -0.35 0.00 0.34 -1.08 0.00 0.00 175.30 174.21 2xbl n PHE 73 N -0.14 0.00 0.04 5.89 7.35 -1.24 -4.54 117.46 124.82 2xbl n PHE 73 Ca -0.14 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.66 2xbl n PHE 73 Cb 0.63 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.37 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 -1.48 2.65 -3.64 3.13 0.00 -1.26 -5.01 120.51 114.90 2xbl n ALA 74 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 2xbl n ALA 74 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.43 -0.15 0.02 0.00 -0.12 -1.26 -5.14 117.98 107.90 2xbl s PHE 75 Ca -0.04 -0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 56.29 2xbl s PHE 75 Cb 0.12 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 43.04 2xbl s PHE 75 CO 0.85 -1.11 1.20 0.34 -0.05 0.00 0.00 175.22 176.45 2xbl s ASP 76 N -2.90 7.07 0.12 1.98 2.15 -1.26 -4.83 116.67 119.00 2xbl s ASP 76 Ca 0.11 1.95 -0.25 0.00 0.43 0.00 0.00 52.55 54.78 2xbl s ASP 76 Cb -0.04 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.09 2xbl s ASP 76 CO 0.03 -0.51 1.06 0.00 -0.17 0.00 0.00 175.17 175.59 2xbl s ARG 77 N 1.47 1.04 0.85 4.34 1.04 -1.26 -5.13 118.95 121.29 2xbl s ARG 77 Ca 0.58 -0.61 -0.11 0.00 -1.04 0.00 0.00 55.73 54.55 2xbl s ARG 77 Cb -0.28 0.33 0.11 0.00 -2.04 0.00 0.00 34.95 33.07 2xbl s ARG 77 CO 0.27 -0.48 1.15 -2.14 -0.04 0.00 0.00 175.30 174.05 2xbl s PRO 78 N -2.77 1.50 0.51 3.89 0.02 -1.26 -4.91 135.00 131.97 2xbl s PRO 78 Ca 0.16 1.51 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 2xbl s PRO 78 Cb -0.00 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 2xbl s PRO 78 CO 0.02 -2.27 1.12 0.20 -0.33 0.00 0.00 177.00 175.74 2xbl s GLY 79 N -2.69 2.66 0.11 0.52 0.00 -1.26 -4.99 107.32 101.68 2xbl s GLY 79 Ca 0.67 0.82 0.04 0.00 0.00 0.00 0.00 44.72 46.25 2xbl s GLY 79 CO 0.55 1.20 0.08 1.08 0.00 0.00 0.00 173.10 176.01 2xbl s LEU 80 N -3.51 3.70 -0.77 0.66 1.43 -0.02 -4.97 118.68 115.21 2xbl s LEU 80 Ca 0.69 -0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 2xbl s LEU 80 Cb -0.24 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.64 2xbl s LEU 80 CO 0.28 0.14 1.31 -2.16 0.23 0.00 0.00 176.35 176.15 2xbl s PRO 81 N -2.63 3.22 0.01 1.29 0.04 -1.26 -3.92 135.00 131.76 2xbl s PRO 81 Ca 0.29 -0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.04 2xbl s PRO 81 Cb -0.11 -4.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 2xbl s PRO 81 CO 0.21 -2.17 -0.10 0.00 0.04 0.00 0.00 177.00 174.99 2xbl s ALA 82 N 5.72 0.81 -0.06 8.56 0.00 -1.26 -1.62 121.76 133.91 2xbl s ALA 82 Ca 0.37 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 2xbl s ALA 82 Cb -0.07 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2xbl s ALA 82 CO 0.12 0.16 0.01 0.08 0.00 0.00 0.00 175.76 176.13 2xbl s VAL 83 N -0.50 0.31 -0.00 0.00 1.01 0.11 -4.87 120.40 116.46 2xbl s VAL 83 Ca 0.01 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2xbl s VAL 83 Cb -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 2xbl s VAL 83 CO 0.00 0.24 0.99 0.00 0.00 0.00 0.00 175.10 176.33 2xbl s ALA 84 N 1.83 3.18 -0.72 5.51 0.00 -1.26 -1.67 121.76 128.63 2xbl s ALA 84 Ca 0.02 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.57 2xbl s ALA 84 Cb -0.12 -3.35 0.26 0.00 0.00 0.00 0.00 23.12 19.90 2xbl s ALA 84 CO -0.04 -0.26 0.92 1.28 0.00 0.00 0.00 175.76 177.66 2xbl n LEU 85 N 3.95 2.61 -0.07 0.00 4.77 0.90 -3.96 117.00 125.20 2xbl n LEU 85 Ca 0.06 -1.32 0.06 0.00 -0.03 0.00 0.00 56.01 54.78 2xbl n LEU 85 Cb 0.51 -0.56 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2xbl n LEU 85 CO 0.52 0.39 0.55 0.35 -1.33 0.00 0.00 177.39 177.87 2xbl n THR 86 N 0.18 1.51 -0.01 -5.08 -2.24 -1.26 -4.81 114.28 102.56 2xbl n THR 86 Ca 0.09 -1.70 -0.01 0.00 -2.27 0.00 0.00 64.05 60.16 2xbl n THR 86 Cb 0.57 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.98 0.17 -2.84 4.28 -2.24 -1.25 -4.94 114.28 106.48 2xbl n THR 87 Ca 0.09 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2xbl n THR 87 Cb 0.48 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.60 6.37 0.42 3.42 -1.08 -1.26 -4.90 116.67 116.03 2xbl s ASP 88 Ca -0.02 -0.27 0.27 0.00 -0.52 0.00 0.00 52.55 52.01 2xbl s ASP 88 Cb 0.01 -2.44 0.81 0.00 -1.46 0.00 0.00 42.92 39.84 2xbl s ASP 88 CO 0.09 -1.20 1.76 0.71 0.52 0.00 0.00 175.17 177.06 2xbl h THR 89 N 6.03 0.00 -0.20 1.71 1.35 -1.98 -0.05 112.91 119.77 2xbl h THR 89 Ca -0.26 -0.68 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 2xbl h THR 89 Cb 1.07 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2xbl h THR 89 CO 1.08 0.00 -0.22 0.28 -0.25 0.00 0.00 175.52 176.41 2xbl h SER 90 N 0.00 0.54 -0.22 5.36 0.02 -1.98 -1.42 113.55 115.84 2xbl h SER 90 Ca 0.00 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2xbl h SER 90 Cb 0.73 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2xbl h SER 90 CO 0.00 0.92 0.11 0.40 -1.14 0.00 0.00 176.83 177.12 2xbl h ILE 91 N 0.17 1.13 -0.29 3.27 2.04 -1.82 -0.00 117.51 122.01 2xbl h ILE 91 Ca 0.03 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2xbl h ILE 91 Cb 0.77 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2xbl h ILE 91 CO 0.05 0.13 0.14 -0.07 0.00 0.00 0.00 178.15 178.40 2xbl h LEU 92 N 0.23 0.38 -0.20 1.44 3.38 -1.04 -0.90 115.31 118.61 2xbl h LEU 92 Ca 0.08 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2xbl h LEU 92 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2xbl h LEU 92 CO -0.01 0.41 -0.90 0.71 0.09 0.00 0.00 178.44 178.74 2xbl h THR 93 N 0.33 1.64 0.11 0.22 1.35 -1.24 -1.08 112.91 114.23 2xbl h THR 93 Ca 0.10 -3.06 -0.01 0.00 -0.55 0.00 0.00 66.41 62.90 2xbl h THR 93 Cb 0.13 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2xbl h THR 93 CO -0.01 0.87 -0.05 0.00 -0.25 0.00 0.00 175.52 176.08 2xbl h ALA 94 N 1.09 -0.14 -0.30 6.62 0.00 -0.89 -0.58 119.26 125.06 2xbl h ALA 94 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2xbl h ALA 94 Cb 1.59 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2xbl h ALA 94 CO 0.12 -0.51 0.15 0.82 0.00 0.00 0.00 179.25 179.83 2xbl h ILE 95 N -0.28 1.14 -0.28 0.00 2.04 -1.11 0.35 117.51 119.38 2xbl h ILE 95 Ca -0.01 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2xbl h ILE 95 Cb 0.23 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2xbl h ILE 95 CO 0.02 0.15 0.02 1.23 0.00 0.00 0.00 178.15 179.57 2xbl h GLY 96 N 0.36 0.29 1.31 5.37 0.00 -1.19 0.19 103.07 109.39 2xbl h GLY 96 Ca 0.10 0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 2xbl h GLY 96 CO -0.01 -0.04 -0.51 -0.57 0.00 0.00 0.00 176.54 175.41 2xbl h ASN 97 N 0.11 0.80 0.15 0.19 -1.24 -0.93 -2.59 115.58 112.07 2xbl h ASN 97 Ca 0.13 -0.41 -0.30 0.00 0.71 0.00 0.00 56.30 56.43 2xbl h ASN 97 Cb 0.16 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.99 2xbl h ASN 97 CO -0.21 1.16 -1.51 0.44 -1.29 0.00 0.00 177.43 176.03 2xbl h ASP 98 N 0.57 0.48 0.00 1.15 3.32 -0.09 -3.42 116.42 118.44 2xbl h ASP 98 Ca 0.02 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.18 2xbl h ASP 98 Cb 1.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2xbl h ASP 98 CO 0.11 1.67 -0.16 -1.22 -1.72 0.00 0.00 179.24 177.92 2xbl n TYR 99 N -3.81 0.00 0.00 4.55 4.01 0.62 -5.06 117.16 117.46 2xbl n TYR 99 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2xbl n TYR 99 Cb 0.96 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 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 1.23 2.32 0.27 2.72 0.00 -0.88 -4.67 105.19 106.18 2xbl n GLY 100 Ca 0.00 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.93 116.97 118.03 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 0.03 -0.05 1.49 -1.64 0.00 0.00 178.16 177.98 2xbl h GLU 102 N 0.00 0.00 -0.28 1.82 4.81 -1.94 -2.17 114.58 116.82 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 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2xbl h GLU 102 CO 0.00 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 2xbl n LYS 103 N -3.67 2.09 -0.23 1.92 4.76 -0.72 -4.15 118.16 118.15 2xbl n LYS 103 Ca -0.02 -1.65 0.03 0.00 -2.87 0.00 0.00 58.31 53.81 2xbl n LYS 103 Cb 0.16 -1.44 0.14 0.00 -1.84 0.00 0.00 35.03 32.05 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 3.23 -0.15 0.01 -0.35 5.85 -1.51 -2.00 115.31 120.39 2xbl h LEU 104 Ca 0.00 0.15 -0.38 0.00 0.84 0.00 0.00 57.88 58.49 2xbl h LEU 104 Cb 0.71 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2xbl h LEU 104 CO 0.00 -0.09 -2.39 0.49 -0.34 0.00 0.00 178.44 176.11 2xbl n PHE 105 N -5.23 0.16 -0.24 1.25 3.72 -1.26 -4.29 117.46 111.57 2xbl n PHE 105 Ca 0.12 0.04 0.04 0.00 -0.05 0.00 0.00 57.45 57.59 2xbl n PHE 105 Cb 0.41 -1.02 0.28 0.00 -0.94 0.00 0.00 39.48 38.21 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 0.01 0.82 -0.74 4.37 4.64 -1.74 -0.97 113.55 119.93 2xbl h SER 106 Ca -0.55 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 2xbl h SER 106 Cb 1.98 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.85 2xbl h SER 106 CO -0.05 0.55 0.25 -0.09 -0.87 0.00 0.00 176.83 176.62 2xbl h ARG 107 N 0.94 1.15 -0.24 4.77 9.65 -1.58 0.06 114.38 129.13 2xbl h ARG 107 Ca 0.33 -0.23 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 2xbl h ARG 107 Cb 0.12 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2xbl h ARG 107 CO -0.11 0.96 -0.44 1.96 2.80 0.00 0.00 179.97 185.15 2xbl h GLN 108 N 1.11 0.59 -0.47 0.20 4.20 -1.50 -1.29 115.11 117.94 2xbl h GLN 108 Ca 0.24 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2xbl h GLN 108 Cb 0.28 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2xbl h GLN 108 CO -0.01 0.91 0.20 0.28 -0.67 0.00 0.00 178.83 179.54 2xbl h VAL 109 N 0.47 1.20 -0.52 -0.54 2.07 -0.86 0.18 116.25 118.26 2xbl h VAL 109 Ca 0.03 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2xbl h VAL 109 Cb 0.96 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2xbl h VAL 109 CO 0.09 0.23 0.29 -0.61 0.02 0.00 0.00 177.57 177.59 2xbl h GLN 110 N 0.62 0.55 -0.23 1.57 -0.00 -0.75 0.63 115.11 117.50 2xbl h GLN 110 Ca 0.16 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.68 2xbl h GLN 110 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.53 2xbl h GLN 110 CO -0.01 0.36 -0.24 0.00 0.00 0.00 0.00 178.83 178.93 2xbl h ALA 111 N 1.25 0.34 0.00 3.38 0.00 -0.90 -3.39 119.26 119.94 2xbl h ALA 111 Ca 0.22 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2xbl h ALA 111 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2xbl h ALA 111 CO -0.12 0.31 -1.52 1.28 0.00 0.00 0.00 179.25 179.20 2xbl n LEU 112 N -4.37 0.00 -4.77 0.00 4.77 0.02 -5.01 117.00 107.64 2xbl n LEU 112 Ca -0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 2xbl n LEU 112 Cb 0.44 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2xbl n LEU 112 CO 0.43 0.08 0.87 -0.83 -1.33 0.00 0.00 177.39 176.61 2xbl s GLY 113 N -3.50 2.93 0.14 -0.72 0.00 0.21 -5.04 107.32 101.33 2xbl s GLY 113 Ca -0.04 1.03 0.10 0.00 0.00 0.00 0.00 44.72 45.81 2xbl s GLY 113 CO 0.40 1.58 -0.23 -1.31 0.00 0.00 0.00 173.10 173.54 2xbl s ASN 114 N -0.95 3.03 0.23 1.64 0.01 -1.26 -4.91 114.94 112.73 2xbl s ASN 114 Ca 0.54 -0.78 -0.31 0.00 -0.71 0.00 0.00 52.86 51.60 2xbl s ASN 114 Cb -0.33 -0.20 -0.15 0.00 0.41 0.00 0.00 41.25 40.99 2xbl s ASN 114 CO 0.42 0.10 1.13 1.21 -1.51 0.00 0.00 177.10 178.45 2xbl n GLU 115 N 0.69 1.36 0.00 -0.60 0.00 -1.25 -1.29 120.64 119.54 2xbl n GLU 115 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 57.16 57.48 2xbl n GLU 115 Cb 0.55 -1.94 0.00 0.00 0.00 0.00 0.00 31.44 30.04 2xbl n GLU 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2xbl n GLY 116 N 1.70 1.99 3.66 8.31 0.00 -0.60 -4.97 105.19 115.29 2xbl n GLY 116 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.12 1.80 -0.04 1.61 1.01 -0.41 -4.64 116.67 112.89 2xbl s ASP 117 Ca 0.00 0.79 0.06 0.00 0.71 0.00 0.00 52.55 54.12 2xbl s ASP 117 Cb 0.00 -1.18 -0.02 0.00 1.01 0.00 0.00 42.92 42.73 2xbl s ASP 117 CO 0.00 -3.59 -0.23 -0.69 0.21 0.00 0.00 175.17 170.86 2xbl s VAL 118 N -3.09 2.25 -0.22 -1.27 1.01 -0.86 -1.44 120.40 116.79 2xbl s VAL 118 Ca 0.69 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 2xbl s VAL 118 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2xbl s VAL 118 CO 0.56 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.96 2xbl s LEU 119 N -0.43 2.84 -0.31 3.92 2.96 0.02 -0.20 118.68 127.48 2xbl s LEU 119 Ca 0.04 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 2xbl s LEU 119 Cb -0.12 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2xbl s LEU 119 CO 0.01 -0.02 0.21 -0.63 -1.32 0.00 0.00 176.35 174.61 2xbl s ILE 120 N 1.44 5.23 -0.15 6.68 1.01 0.10 -0.49 121.20 135.03 2xbl s ILE 120 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2xbl s ILE 120 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2xbl s ILE 120 CO -0.04 0.10 -0.16 -0.83 0.00 0.00 0.00 174.94 174.01 2xbl s GLY 121 N 1.73 1.46 -0.18 6.18 0.00 0.16 -1.00 107.32 115.67 2xbl s GLY 121 Ca 0.06 -1.03 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 2xbl s GLY 121 CO 0.10 -0.02 0.09 -0.19 0.00 0.00 0.00 173.10 173.07 2xbl s TYR 122 N 0.74 3.32 -0.23 1.90 2.02 -0.17 -1.36 117.35 123.56 2xbl s TYR 122 Ca -0.07 0.19 -0.08 0.00 -0.37 0.00 0.00 57.07 56.75 2xbl s TYR 122 Cb -0.16 -2.08 0.10 0.00 -0.40 0.00 0.00 41.96 39.43 2xbl s TYR 122 CO 0.01 0.26 0.50 0.45 -1.57 0.00 0.00 175.55 175.19 2xbl s SER 123 N 0.21 -0.56 0.15 2.29 0.15 -0.53 -4.41 113.70 110.99 2xbl s SER 123 Ca 0.06 1.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.82 2xbl s SER 123 Cb -0.12 1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 65.85 2xbl s SER 123 CO -0.00 -0.23 1.41 0.71 1.20 0.00 0.00 173.24 176.33 2xbl h THR 124 N 6.11 1.31 0.00 6.45 1.35 -1.93 -2.97 112.91 123.23 2xbl h THR 124 Ca -0.16 -1.91 -0.08 0.00 -0.55 0.00 0.00 66.41 63.71 2xbl h THR 124 Cb 1.11 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 2xbl h THR 124 CO 0.11 0.60 -0.37 0.77 -0.25 0.00 0.00 175.52 176.39 2xbl h SER 125 N 0.49 0.00 0.00 5.36 4.64 -1.96 -3.33 113.55 118.75 2xbl h SER 125 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2xbl h SER 125 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2xbl h SER 125 CO 0.13 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 2xbl n GLY 126 N 0.30 0.51 0.00 -0.77 0.00 -1.12 -4.87 105.19 99.24 2xbl n GLY 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.31 4.76 -1.65 1.61 5.02 -1.26 -4.40 118.16 119.93 2xbl n LYS 127 Ca 0.00 -0.07 -0.46 0.00 -2.02 0.00 0.00 58.31 55.76 2xbl n LYS 127 Cb 0.06 -0.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.70 3.62 -0.23 4.39 7.64 -1.26 -4.84 113.62 122.24 2xbl n SER 128 Ca 0.00 0.82 0.07 0.00 1.01 0.00 0.00 58.87 60.77 2xbl n SER 128 Cb 0.01 -1.44 0.33 0.00 -1.01 0.00 0.00 64.21 62.10 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 10.60 0.78 0.00 1.43 0.11 -1.96 -1.75 132.00 141.21 2xbl h PRO 129 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2xbl h PRO 129 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2xbl h PRO 129 CO 0.95 0.52 -0.30 -2.95 -0.21 0.00 0.00 178.00 176.01 2xbl h ASN 130 N 0.80 0.00 -0.00 -2.05 7.08 -1.83 -0.25 115.58 119.33 2xbl h ASN 130 Ca 0.36 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.44 2xbl h ASN 130 Cb 0.34 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.60 2xbl h ASN 130 CO -0.13 0.30 -0.55 0.40 -2.08 0.00 0.00 177.43 175.37 2xbl h ILE 131 N 0.00 1.44 -0.89 6.14 1.08 -1.65 -2.35 117.51 121.28 2xbl h ILE 131 Ca -0.00 -2.06 -0.01 0.00 -0.39 0.00 0.00 64.86 62.40 2xbl h ILE 131 Cb 0.66 2.62 -0.04 0.00 -3.07 0.00 0.00 36.82 36.99 2xbl h ILE 131 CO 0.04 0.59 0.53 -0.07 -0.69 0.00 0.00 178.15 178.55 2xbl h LEU 132 N -0.16 1.08 -0.88 1.44 3.38 -1.16 -1.66 115.31 117.34 2xbl h LEU 132 Ca -0.07 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2xbl h LEU 132 Cb 1.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2xbl h LEU 132 CO 0.11 0.83 -0.18 0.00 0.09 0.00 0.00 178.44 179.29 2xbl h ALA 133 N 1.35 1.05 -0.43 1.53 0.00 -1.08 -2.17 119.26 119.52 2xbl h ALA 133 Ca 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2xbl h ALA 133 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2xbl h ALA 133 CO -0.06 0.57 0.20 0.00 0.00 0.00 0.00 179.25 179.97 2xbl h ALA 134 N 1.24 0.55 -0.81 0.00 0.00 -0.82 -1.51 119.26 117.92 2xbl h ALA 134 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2xbl h ALA 134 Cb 0.63 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2xbl h ALA 134 CO 0.04 0.12 0.49 0.74 0.00 0.00 0.00 179.25 180.64 2xbl h PHE 135 N 0.55 1.06 -0.64 0.00 0.04 -1.07 -0.08 116.94 116.81 2xbl h PHE 135 Ca 0.15 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 2xbl h PHE 135 Cb 0.13 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 2xbl h PHE 135 CO -0.01 0.71 0.21 0.00 -0.60 0.00 0.00 178.31 178.63 2xbl h ARG 136 N 1.11 0.98 -0.34 1.51 3.08 -1.11 -0.42 114.38 119.20 2xbl h ARG 136 Ca 0.29 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2xbl h ARG 136 Cb -0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2xbl h ARG 136 CO -0.05 0.86 -0.11 1.49 -1.07 0.00 0.00 179.97 181.08 2xbl h GLU 137 N 0.92 0.67 -0.38 0.04 4.57 -0.93 -2.49 114.58 116.97 2xbl h GLU 137 Ca 0.21 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2xbl h GLU 137 Cb 0.27 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2xbl h GLU 137 CO -0.01 0.85 0.17 0.00 -1.18 0.00 0.00 179.01 178.84 2xbl h ALA 138 N 0.80 0.49 -0.59 2.92 0.00 -0.84 -2.34 119.26 119.70 2xbl h ALA 138 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2xbl h ALA 138 Cb 0.62 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2xbl h ALA 138 CO 0.04 0.07 0.33 -0.22 0.00 0.00 0.00 179.25 179.46 2xbl h LYS 139 N 0.48 0.81 -0.78 0.00 1.63 -1.08 0.19 116.57 117.81 2xbl h LYS 139 Ca 0.13 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2xbl h LYS 139 Cb 0.14 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 2xbl h LYS 139 CO -0.01 0.62 0.51 0.00 -3.45 0.00 0.00 179.45 177.12 2xbl h ALA 140 N 1.15 1.55 -0.10 5.00 0.00 -1.23 -0.86 119.26 124.77 2xbl h ALA 140 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2xbl h ALA 140 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2xbl h ALA 140 CO -0.03 0.37 0.00 0.36 0.00 0.00 0.00 179.25 179.95 2xbl n LYS 141 N -4.45 1.52 -1.59 0.00 2.85 -0.90 -4.90 118.16 110.68 2xbl n LYS 141 Ca 0.10 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 2xbl n LYS 141 Cb 0.13 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2xbl n LYS 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2xbl n GLY 142 N 1.06 0.79 3.89 2.58 0.00 -0.33 -3.94 105.19 109.23 2xbl n GLY 142 Ca 0.17 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.38 3.60 0.07 1.61 -1.94 0.00 -1.55 119.30 117.70 2xbl s MET 143 Ca 0.00 -0.07 -0.31 0.00 -1.71 0.00 0.00 55.69 53.60 2xbl s MET 143 Cb 0.00 -3.05 -0.07 0.00 2.01 0.00 0.00 34.83 33.72 2xbl s MET 143 CO 0.00 0.62 1.44 0.99 -0.01 0.00 0.00 175.02 178.06 2xbl s THR 144 N -1.35 3.39 -0.34 2.05 2.01 -0.52 -4.16 115.64 116.72 2xbl s THR 144 Ca 0.30 0.91 -0.12 0.00 0.31 0.00 0.00 61.69 63.09 2xbl s THR 144 Cb -0.13 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2xbl s THR 144 CO 0.18 0.03 0.23 0.00 -0.69 0.00 0.00 174.62 174.37 2xbl s VAL 146 N 1.70 3.70 -0.09 0.00 1.01 0.36 -0.51 120.40 126.57 2xbl s VAL 146 Ca 0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2xbl s VAL 146 Cb -0.17 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2xbl s VAL 146 CO 0.10 0.47 -0.06 -0.83 0.00 0.00 0.00 175.10 174.77 2xbl s GLY 147 N 0.73 1.70 -0.22 4.51 0.00 0.43 -0.67 107.32 113.80 2xbl s GLY 147 Ca -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 2xbl s GLY 147 CO 0.02 -0.51 -0.04 -1.36 0.00 0.00 0.00 173.10 171.21 2xbl s PHE 148 N -0.50 2.96 0.00 1.90 2.99 -0.47 -0.44 117.98 124.43 2xbl s PHE 148 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 56.93 56.09 2xbl s PHE 148 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 43.02 40.80 2xbl s PHE 148 CO 0.02 -0.53 0.00 -2.37 -0.00 0.00 0.00 175.22 172.34 2xbl n THR 149 N 4.77 0.00 -0.71 0.64 5.66 0.02 -1.45 114.28 123.21 2xbl n THR 149 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2xbl n THR 149 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 0.00 2.44 1.04 1.09 0.00 -1.25 -1.44 105.19 107.07 2xbl n GLY 150 Ca 0.00 -1.82 0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 3.69 0.00 1.61 0.23 -0.49 -3.92 115.26 116.38 2xbl n ASN 151 Ca 0.00 -2.22 0.14 0.00 -0.53 0.00 0.00 54.58 51.97 2xbl n ASN 151 Cb 0.00 -0.41 0.68 0.00 -2.08 0.00 0.00 39.78 37.98 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 0.78 0.26 0.00 -3.83 1.74 -1.26 -4.99 116.66 109.36 2xbl n ARG 152 Ca 0.19 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2xbl n ARG 152 Cb 0.63 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 1.28 -0.26 0.00 -0.13 0.00 -1.26 -5.06 105.19 99.75 2xbl n GLY 153 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.24 0.22 -0.02 0.00 -1.26 -4.67 105.19 98.22 2xbl n GLY 154 Ca 0.00 -2.10 0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 0.65 0.00 0.00 1.61 5.08 -1.98 -3.04 114.58 116.89 2xbl h GLU 155 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 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 0.00 -0.12 0.52 -1.00 0.00 0.00 179.01 178.41 2xbl h MET 156 N 0.00 0.00 -0.67 2.33 2.86 -1.83 -0.44 114.93 117.18 2xbl h MET 156 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2xbl h MET 156 Cb 0.46 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2xbl h MET 156 CO 0.00 0.12 0.34 0.00 1.06 0.00 0.00 176.91 178.42 2xbl h ARG 157 N 0.00 0.94 0.23 1.72 3.08 -1.87 -1.04 114.38 117.44 2xbl h ARG 157 Ca -0.00 -0.12 -0.34 0.00 0.07 0.00 0.00 59.98 59.59 2xbl h ARG 157 Cb 0.34 -0.18 0.03 0.00 0.08 0.00 0.00 29.97 30.24 2xbl h ARG 157 CO 0.02 0.71 -1.58 0.93 -1.07 0.00 0.00 179.97 178.98 2xbl h GLU 158 N 0.94 0.49 0.00 0.04 3.07 -1.37 -3.37 114.58 114.37 2xbl h GLU 158 Ca 0.23 -0.83 -0.02 0.00 -0.50 0.00 0.00 59.36 58.25 2xbl h GLU 158 Cb 0.07 0.31 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2xbl h GLU 158 CO -0.03 1.40 -0.07 -0.07 -1.40 0.00 0.00 179.01 178.83 2xbl h LEU 159 N 0.13 0.00 -9.40 1.33 3.38 -1.03 -3.45 115.31 106.27 2xbl h LEU 159 Ca -0.29 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.02 2xbl h LEU 159 Cb 2.15 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.78 2xbl h LEU 159 CO 0.24 0.07 -0.55 0.00 0.09 0.00 0.00 178.44 178.30 2xbl h ASP 161 N 5.38 0.69 -3.59 0.00 3.32 -1.12 -3.44 116.42 117.67 2xbl h ASP 161 Ca -0.50 -0.48 -0.43 0.00 0.02 0.00 0.00 57.03 55.64 2xbl h ASP 161 Cb 1.20 -0.21 -0.33 0.00 0.22 0.00 0.00 39.33 40.22 2xbl h ASP 161 CO 0.59 1.25 -0.79 -0.76 -1.72 0.00 0.00 179.24 177.82 2xbl s LEU 162 N -8.10 1.58 -0.11 1.55 1.43 -0.96 -5.04 118.68 109.03 2xbl s LEU 162 Ca -0.08 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2xbl s LEU 162 Cb 0.09 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.78 2xbl s LEU 162 CO 0.87 0.01 -0.07 -0.22 0.23 0.00 0.00 176.35 177.18 2xbl s LEU 163 N 0.57 1.13 -0.34 1.79 2.96 -1.26 -0.43 118.68 123.10 2xbl s LEU 163 Ca -0.09 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 2xbl s LEU 163 Cb -0.12 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 2xbl s LEU 163 CO 0.01 -0.13 0.36 -0.76 -1.32 0.00 0.00 176.35 174.51 2xbl s LEU 164 N 1.74 4.46 -0.39 -0.68 1.43 0.42 -4.98 118.68 120.67 2xbl s LEU 164 Ca 0.05 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2xbl s LEU 164 Cb -0.13 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 43.83 2xbl s LEU 164 CO -0.08 -0.34 0.21 -1.61 0.23 0.00 0.00 176.35 174.75 2xbl s GLU 165 N 2.02 2.53 0.22 1.70 2.02 -1.26 -0.80 118.70 125.13 2xbl s GLU 165 Ca 0.12 -1.43 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 2xbl s GLU 165 Cb -0.17 -3.66 -0.09 0.00 0.10 0.00 0.00 34.13 30.31 2xbl s GLU 165 CO 0.12 -0.89 1.32 0.08 0.02 0.00 0.00 175.26 175.91 2xbl s VAL 166 N 1.38 3.08 -1.12 2.63 1.01 -0.52 -4.85 120.40 122.00 2xbl s VAL 166 Ca 0.02 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 62.85 2xbl s VAL 166 Cb -0.22 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 2xbl s VAL 166 CO 0.01 0.15 2.43 -0.81 0.00 0.00 0.00 175.10 176.88 2xbl n PRO 167 N 2.32 2.61 -3.66 2.72 -0.04 -1.26 -2.36 135.00 135.33 2xbl n PRO 167 Ca 0.05 -1.68 -0.14 0.00 -0.04 0.00 0.00 63.50 61.70 2xbl n PRO 167 Cb 0.42 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 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 2.93 -0.34 0.00 3.54 0.15 -1.26 -4.87 113.70 113.86 2xbl s SER 168 Ca 0.50 0.18 0.18 0.00 0.70 0.00 0.00 55.95 57.52 2xbl s SER 168 Cb 0.13 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2xbl s SER 168 CO -0.04 -0.59 0.98 0.00 1.20 0.00 0.00 173.24 174.79 2xbl n ALA 169 N 0.83 3.05 -2.57 5.45 0.00 -1.26 -1.40 120.51 124.62 2xbl n ALA 169 Ca -0.20 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 2xbl n ALA 169 Cb 0.58 -0.64 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.94 6.04 0.22 0.00 2.15 -1.26 -4.97 116.67 116.91 2xbl s ASP 170 Ca 0.17 -0.17 -0.19 0.00 0.43 0.00 0.00 52.55 52.79 2xbl s ASP 170 Cb 0.15 -2.13 0.20 0.00 -0.30 0.00 0.00 42.92 40.84 2xbl s ASP 170 CO 0.39 -0.13 1.56 0.74 -0.17 0.00 0.00 175.17 177.56 2xbl h THR 171 N 5.42 0.02 -0.89 1.71 2.02 -1.92 -0.71 112.91 118.56 2xbl h THR 171 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2xbl h THR 171 Cb 1.18 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2xbl h THR 171 CO 0.58 0.00 0.56 -0.65 0.37 0.00 0.00 175.52 176.38 2xbl h PRO 172 N -0.03 1.19 -0.35 6.66 0.11 -1.99 -0.49 132.00 137.11 2xbl h PRO 172 Ca 0.32 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 66.16 2xbl h PRO 172 Cb 0.58 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 2xbl h PRO 172 CO -0.94 0.82 -0.46 0.87 -0.21 0.00 0.00 178.00 178.08 2xbl h LYS 173 N 1.22 0.91 -0.56 1.05 1.79 -1.62 -1.56 116.57 117.80 2xbl h LYS 173 Ca 0.32 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2xbl h LYS 173 Cb -0.09 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2xbl h LYS 173 CO -0.06 1.17 0.36 0.82 -1.08 0.00 0.00 179.45 180.66 2xbl h ILE 174 N 0.73 1.15 -0.73 1.86 2.04 -0.79 -1.57 117.51 120.20 2xbl h ILE 174 Ca 0.04 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2xbl h ILE 174 Cb 1.06 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2xbl h ILE 174 CO 0.11 0.15 0.31 1.56 0.00 0.00 0.00 178.15 180.27 2xbl h GLN 175 N 0.76 1.07 -0.36 2.37 4.20 -0.88 0.13 115.11 122.40 2xbl h GLN 175 Ca 0.20 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2xbl h GLN 175 Cb -0.07 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 2xbl h GLN 175 CO -0.04 0.86 0.23 0.93 -0.67 0.00 0.00 178.83 180.14 2xbl h GLU 176 N 1.05 0.48 -0.87 1.46 5.08 -1.00 -1.39 114.58 119.39 2xbl h GLU 176 Ca 0.25 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2xbl h GLU 176 Cb 0.17 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2xbl h GLU 176 CO -0.02 0.33 0.56 0.78 -1.00 0.00 0.00 179.01 179.66 2xbl h GLY 177 N 0.48 1.28 1.10 -3.84 0.00 -0.65 -2.68 103.07 98.76 2xbl h GLY 177 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2xbl h GLY 177 CO -0.03 0.34 0.47 0.45 0.00 0.00 0.00 176.54 177.78 2xbl h HIS 178 N 1.07 1.16 -0.47 5.60 3.86 -0.07 -0.94 115.15 125.36 2xbl h HIS 178 Ca 0.36 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.45 2xbl h HIS 178 Cb 0.05 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 2xbl h HIS 178 CO -0.02 0.80 -0.05 1.25 0.86 0.00 0.00 177.93 180.77 2xbl h LEU 179 N 1.19 0.86 -0.40 2.43 5.85 -1.05 0.17 115.31 124.35 2xbl h LEU 179 Ca 0.30 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2xbl h LEU 179 Cb 0.02 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2xbl h LEU 179 CO -0.05 0.99 0.26 0.58 -0.34 0.00 0.00 178.44 179.87 2xbl h VAL 180 N 0.71 1.12 -0.26 1.05 2.07 -1.14 -0.97 116.25 118.83 2xbl h VAL 180 Ca 0.13 -0.23 -0.20 0.00 0.82 0.00 0.00 66.70 67.22 2xbl h VAL 180 Cb 0.58 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2xbl h VAL 180 CO 0.03 0.11 -0.61 -0.07 0.02 0.00 0.00 177.57 177.06 2xbl h LEU 181 N 0.54 0.97 -0.93 2.57 3.38 -0.98 -2.47 115.31 118.39 2xbl h LEU 181 Ca 0.15 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2xbl h LEU 181 Cb -0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 2xbl h LEU 181 CO -0.03 1.36 0.59 1.23 0.09 0.00 0.00 178.44 181.68 2xbl h GLY 182 N 0.66 1.34 1.01 0.83 0.00 -0.57 -0.84 103.07 105.49 2xbl h GLY 182 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2xbl h GLY 182 CO 0.13 0.52 0.39 0.45 0.00 0.00 0.00 176.54 178.03 2xbl h HIS 183 N 1.28 1.04 -0.38 5.60 3.86 -1.05 -0.87 115.15 124.64 2xbl h HIS 183 Ca 0.34 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.48 2xbl h HIS 183 Cb -0.10 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.03 2xbl h HIS 183 CO -0.00 0.75 0.09 0.82 0.86 0.00 0.00 177.93 180.45 2xbl h ILE 184 N 1.04 1.23 -0.34 2.45 2.04 -0.94 -0.43 117.51 122.55 2xbl h ILE 184 Ca 0.26 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2xbl h ILE 184 Cb 0.06 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2xbl h ILE 184 CO -0.04 0.27 0.11 0.58 0.00 0.00 0.00 178.15 179.06 2xbl h VAL 185 N 0.46 0.88 -0.02 1.67 2.07 -0.94 -0.45 116.25 119.94 2xbl h VAL 185 Ca 0.12 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2xbl h VAL 185 Cb 0.31 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2xbl h VAL 185 CO 0.00 0.04 -0.16 0.00 0.02 0.00 0.00 177.57 177.48 2xbl h GLY 187 N -0.26 1.23 0.89 0.00 0.00 -0.75 0.60 103.07 104.78 2xbl h GLY 187 Ca 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2xbl h GLY 187 CO -0.17 0.22 0.04 1.41 0.00 0.00 0.00 176.54 178.04 2xbl h LEU 188 N 0.88 0.51 0.06 3.11 3.38 -0.79 -0.89 115.31 121.57 2xbl h LEU 188 Ca 0.36 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2xbl h LEU 188 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2xbl h LEU 188 CO -0.19 0.65 -0.03 0.58 0.09 0.00 0.00 178.44 179.54 2xbl h VAL 189 N 0.34 1.07 -0.44 1.22 2.07 -0.89 -0.65 116.25 118.98 2xbl h VAL 189 Ca 0.09 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.21 2xbl h VAL 189 Cb 0.37 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2xbl h VAL 189 CO 0.01 0.12 0.15 -0.08 0.02 0.00 0.00 177.57 177.78 2xbl h GLU 190 N -0.29 0.30 -0.67 1.57 4.81 -0.89 -1.63 114.58 117.79 2xbl h GLU 190 Ca -0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2xbl h GLU 190 Cb 0.25 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2xbl h GLU 190 CO 0.01 0.20 0.13 1.25 -0.73 0.00 0.00 179.01 179.88 2xbl h HIS 191 N 0.31 1.16 -0.37 0.92 2.76 -1.07 -0.66 115.15 118.20 2xbl h HIS 191 Ca 0.21 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2xbl h HIS 191 Cb 0.21 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 2xbl h HIS 191 CO -0.16 0.96 0.19 1.03 -1.30 0.00 0.00 177.93 178.64 2xbl h SER 192 N 1.02 0.48 0.43 3.26 0.87 -0.65 0.15 113.55 119.10 2xbl h SER 192 Ca 0.21 -0.12 -0.31 0.00 -1.23 0.00 0.00 61.79 60.34 2xbl h SER 192 Cb 0.41 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2xbl h SER 192 CO 0.01 0.46 -1.42 0.40 -0.53 0.00 0.00 176.83 175.75 2xbl h ILE 193 N 0.46 1.33 0.00 2.23 2.04 -1.25 -3.39 117.51 118.92 2xbl h ILE 193 Ca 0.13 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.14 2xbl h ILE 193 Cb 0.10 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2xbl h ILE 193 CO -0.02 0.85 0.00 0.49 0.00 0.00 0.00 178.15 179.47 2xbl n PHE 194 N -3.61 0.00 1.47 1.37 0.99 -0.26 -5.11 117.46 112.31 2xbl n PHE 194 Ca -0.14 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.43 2xbl n PHE 194 Cb 1.07 0.00 0.70 0.00 -1.00 0.00 0.00 39.48 40.24 2xbl n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17