#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3y h GLU 5 N 0.00 0.68 -0.50 5.56 5.08 -2.06 -0.16 114.58 123.18 2x3y h GLU 5 Ca 0.00 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2x3y h GLU 5 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2x3y h GLU 5 CO 0.00 0.53 0.34 -0.07 -1.00 0.00 0.00 179.01 178.81 2x3y h LEU 6 N 0.65 0.25 -0.52 1.33 3.38 -2.07 0.13 115.31 118.46 2x3y h LEU 6 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 2x3y h LEU 6 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2x3y h LEU 6 CO -0.03 0.15 -0.71 0.74 0.09 0.00 0.00 178.44 178.69 2x3y h THR 7 N 0.28 1.44 -0.64 0.22 2.02 -1.92 -3.14 112.91 111.16 2x3y h THR 7 Ca 0.23 -2.25 0.09 0.00 0.77 0.00 0.00 66.41 65.26 2x3y h THR 7 Cb 0.55 2.19 -0.07 0.00 -1.74 0.00 0.00 68.15 69.08 2x3y h THR 7 CO -0.05 0.66 0.26 0.22 0.37 0.00 0.00 175.52 176.98 2x3y h TYR 8 N 0.13 0.46 0.23 3.16 3.20 0.11 0.61 116.97 124.87 2x3y h TYR 8 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2x3y h TYR 8 Cb 1.26 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2x3y h TYR 8 CO 0.02 0.13 -0.11 0.82 -1.64 0.00 0.00 178.16 177.39 2x3y h ILE 9 N 0.46 0.78 -0.27 1.81 2.04 -1.42 -1.57 117.51 119.34 2x3y h ILE 9 Ca 0.32 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.14 2x3y h ILE 9 Cb 0.38 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2x3y h ILE 9 CO -0.30 0.00 0.01 0.71 0.00 0.00 0.00 178.15 178.57 2x3y h THR 10 N -0.30 1.25 -0.83 -0.27 1.35 -1.50 -2.65 112.91 109.96 2x3y h THR 10 Ca -0.03 -0.90 0.13 0.00 -0.55 0.00 0.00 66.41 65.07 2x3y h THR 10 Cb 0.23 1.31 -0.09 0.00 -1.73 0.00 0.00 68.15 67.87 2x3y h THR 10 CO 0.05 0.28 0.43 0.78 -0.25 0.00 0.00 175.52 176.82 2x3y h ASN 11 N 0.26 0.54 -0.51 5.36 2.35 -0.84 0.61 115.58 123.34 2x3y h ASN 11 Ca 0.08 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2x3y h ASN 11 Cb 0.41 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2x3y h ASN 11 CO 0.01 0.25 0.24 0.28 -1.65 0.00 0.00 177.43 176.56 2x3y h SER 12 N 0.64 0.68 -0.44 5.81 0.02 -1.03 0.69 113.55 119.93 2x3y h SER 12 Ca 0.44 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 2x3y h SER 12 Cb 0.58 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2x3y h SER 12 CO -0.34 0.63 -0.22 0.40 -1.14 0.00 0.00 176.83 176.16 2x3y h ILE 13 N 0.69 1.27 -0.52 3.27 2.04 -1.13 -2.53 117.51 120.60 2x3y h ILE 13 Ca 0.18 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2x3y h ILE 13 Cb 0.13 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2x3y h ILE 13 CO -0.02 0.47 0.29 0.00 0.00 0.00 0.00 178.15 178.88 2x3y h ALA 14 N 0.84 0.66 -0.10 1.87 0.00 -0.69 -2.36 119.26 119.48 2x3y h ALA 14 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2x3y h ALA 14 Cb 0.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2x3y h ALA 14 CO 0.07 0.18 -0.18 1.49 0.00 0.00 0.00 179.25 180.81 2x3y h GLU 15 N 0.69 0.17 0.28 0.00 4.57 -0.82 -1.54 114.58 117.92 2x3y h GLU 15 Ca 0.18 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2x3y h GLU 15 Cb 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2x3y h GLU 15 CO -0.03 0.35 -0.14 0.00 -1.18 0.00 0.00 179.01 178.02 2x3y h ALA 16 N 1.66 -0.38 -0.82 2.92 0.00 -1.20 -2.23 119.26 119.21 2x3y h ALA 16 Ca 0.03 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.98 2x3y h ALA 16 Cb 0.42 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 2x3y h ALA 16 CO 0.03 -0.59 0.15 0.37 0.00 0.00 0.00 179.25 179.21 2x3y h GLN 17 N -0.63 0.18 -0.56 0.00 4.15 -1.13 -0.82 115.11 116.30 2x3y h GLN 17 Ca -0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2x3y h GLN 17 Cb 0.45 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2x3y h GLN 17 CO 0.06 0.12 0.24 -0.09 -1.93 0.00 0.00 178.83 177.24 2x3y h ARG 18 N 0.19 0.82 -0.47 1.69 2.43 -1.20 0.62 114.38 118.45 2x3y h ARG 18 Ca 0.48 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.57 2x3y h ARG 18 Cb 0.92 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 2x3y h ARG 18 CO -0.64 0.69 0.21 0.28 -1.51 0.00 0.00 179.97 179.00 2x3y h VAL 19 N 0.76 0.91 -0.47 0.20 2.07 -0.61 0.95 116.25 120.06 2x3y h VAL 19 Ca 0.19 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2x3y h VAL 19 Cb 0.16 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2x3y h VAL 19 CO -0.02 0.08 0.29 0.24 0.02 0.00 0.00 177.57 178.17 2x3y h MET 20 N 0.42 0.56 -0.27 1.57 2.86 -0.58 -0.75 114.93 118.74 2x3y h MET 20 Ca 0.21 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2x3y h MET 20 Cb 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2x3y h MET 20 CO -0.18 0.37 0.16 0.00 1.06 0.00 0.00 176.91 178.32 2x3y h ALA 21 N 1.20 0.33 -0.70 6.32 0.00 -0.37 0.12 119.26 126.15 2x3y h ALA 21 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2x3y h ALA 21 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2x3y h ALA 21 CO -0.07 -0.22 0.39 0.00 0.00 0.00 0.00 179.25 179.35 2x3y h ALA 22 N 1.12 1.37 -0.42 0.00 0.00 -0.46 -2.08 119.26 118.79 2x3y h ALA 22 Ca 0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2x3y h ALA 22 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2x3y h ALA 22 CO -0.05 0.53 -0.31 0.52 0.00 0.00 0.00 179.25 179.94 2x3y h MET 23 N 0.98 0.95 -0.04 0.00 2.86 -0.64 -2.76 114.93 116.27 2x3y h MET 23 Ca 0.25 -0.46 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2x3y h MET 23 Cb 0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2x3y h MET 23 CO -0.04 1.12 0.03 1.25 1.06 0.00 0.00 176.91 180.33 2x3y h LEU 24 N 0.78 0.00 -1.75 1.22 5.85 -0.39 -2.34 115.31 118.68 2x3y h LEU 24 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2x3y h LEU 24 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2x3y h LEU 24 CO 0.08 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 2x3y n ALA 25 N -2.52 2.48 -3.26 1.25 0.00 -0.84 -4.79 120.51 112.84 2x3y n ALA 25 Ca -0.02 -0.70 -0.46 0.00 0.00 0.00 0.00 53.44 52.25 2x3y n ALA 25 Cb 0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 2x3y n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3y s ASP 26 N -1.81 6.54 0.46 0.00 -1.08 -0.88 -4.93 116.67 114.97 2x3y s ASP 26 Ca 0.33 -2.26 0.22 0.00 -0.52 0.00 0.00 52.55 50.32 2x3y s ASP 26 Cb 0.21 -2.24 1.13 0.00 -1.46 0.00 0.00 42.92 40.55 2x3y s ASP 26 CO 0.31 -0.75 1.95 -0.33 0.52 0.00 0.00 175.17 176.87 2x3y h GLU 27 N 8.32 0.00 -0.22 4.34 4.39 -1.86 -1.18 114.58 128.37 2x3y h GLU 27 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2x3y h GLU 27 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2x3y h GLU 27 CO 0.90 0.21 -0.05 0.00 -1.16 0.00 0.00 179.01 178.91 2x3y h ARG 28 N 0.00 0.43 -0.01 2.33 3.08 -1.96 -0.78 114.38 117.46 2x3y h ARG 28 Ca -0.00 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.89 2x3y h ARG 28 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2x3y h ARG 28 CO 0.03 0.67 -0.05 1.25 -1.07 0.00 0.00 179.97 180.80 2x3y h LEU 29 N 0.16 -0.13 -0.72 3.04 6.46 -1.81 -0.36 115.31 121.96 2x3y h LEU 29 Ca 0.06 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2x3y h LEU 29 Cb 0.51 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 2x3y h LEU 29 CO 0.02 -0.07 0.45 -0.07 -0.62 0.00 0.00 178.44 178.15 2x3y h LEU 30 N -0.08 0.73 -1.41 2.25 3.38 -1.17 0.28 115.31 119.30 2x3y h LEU 30 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2x3y h LEU 30 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2x3y h LEU 30 CO -0.05 0.51 0.12 0.00 0.09 0.00 0.00 178.44 179.10 2x3y h ALA 31 N 1.31 1.53 -0.22 1.53 0.00 -0.85 -2.35 119.26 120.21 2x3y h ALA 31 Ca 0.29 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 2x3y h ALA 31 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2x3y h ALA 31 CO -0.11 0.36 -0.65 1.15 0.00 0.00 0.00 179.25 179.99 2x3y h THR 32 N 0.52 1.28 -0.27 0.00 2.02 0.42 -2.44 112.91 114.44 2x3y h THR 32 Ca 0.13 -1.85 0.05 0.00 0.77 0.00 0.00 66.41 65.51 2x3y h THR 32 Cb 0.15 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2x3y h THR 32 CO -0.01 0.59 -0.05 0.58 0.37 0.00 0.00 175.52 177.01 2x3y h VAL 33 N 0.59 0.75 -0.75 3.16 2.07 -0.68 0.97 116.25 122.36 2x3y h VAL 33 Ca -0.02 -0.01 0.14 0.00 0.82 0.00 0.00 66.70 67.63 2x3y h VAL 33 Cb 1.26 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 2x3y h VAL 33 CO 0.14 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 177.95 2x3y h ARG 34 N 0.02 0.45 -0.11 1.57 9.65 -1.34 -2.40 114.38 122.23 2x3y h ARG 34 Ca 0.13 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.80 2x3y h ARG 34 Cb 0.19 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2x3y h ARG 34 CO -0.26 0.30 -0.69 0.87 2.80 0.00 0.00 179.97 182.99 2x3y h LYS 35 N 0.46 0.47 0.00 0.20 1.57 -0.69 -2.14 116.57 116.44 2x3y h LYS 35 Ca 0.41 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2x3y h LYS 35 Cb 0.61 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2x3y h LYS 35 CO -0.39 0.99 -0.00 0.28 -0.57 0.00 0.00 179.45 179.76 2x3y h VAL 36 N 0.33 1.01 -0.62 0.50 2.07 -0.53 0.99 116.25 119.99 2x3y h VAL 36 Ca -0.02 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2x3y h VAL 36 Cb 1.27 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 2x3y h VAL 36 CO 0.12 0.01 0.30 0.00 0.02 0.00 0.00 177.57 178.02 2x3y h ALA 37 N 0.98 0.83 -0.48 1.67 0.00 -1.41 -1.54 119.26 119.31 2x3y h ALA 37 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2x3y h ALA 37 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2x3y h ALA 37 CO 0.00 -0.08 0.11 -0.44 0.00 0.00 0.00 179.25 178.84 2x3y h ASP 38 N 0.53 0.67 -0.13 0.00 3.32 -0.93 -0.88 116.42 119.00 2x3y h ASP 38 Ca 0.30 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2x3y h ASP 38 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2x3y h ASP 38 CO -0.24 0.66 0.06 0.00 -1.72 0.00 0.00 179.24 178.01 2x3y h ALA 39 N 1.43 0.17 -0.46 3.45 0.00 0.15 -0.88 119.26 123.10 2x3y h ALA 39 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2x3y h ALA 39 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2x3y h ALA 39 CO -0.00 -0.28 0.26 0.00 0.00 0.00 0.00 179.25 179.23 2x3y h ILE 41 N 0.61 1.02 -0.43 0.00 2.04 -1.00 -0.73 117.51 119.03 2x3y h ILE 41 Ca 0.16 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 2x3y h ILE 41 Cb 0.03 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2x3y h ILE 41 CO -0.03 0.10 -0.31 0.00 0.00 0.00 0.00 178.15 177.92 2x3y h ALA 42 N 1.23 0.65 0.23 1.87 0.00 -0.98 -0.32 119.26 121.94 2x3y h ALA 42 Ca 0.20 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2x3y h ALA 42 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2x3y h ALA 42 CO -0.11 0.68 -0.11 1.03 0.00 0.00 0.00 179.25 180.74 2x3y h SER 43 N 0.80 -0.26 -0.94 0.00 0.87 -0.98 -2.43 113.55 110.62 2x3y h SER 43 Ca 0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2x3y h SER 43 Cb 0.89 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 2x3y h SER 43 CO 0.08 -0.18 0.56 0.40 -0.53 0.00 0.00 176.83 177.17 2x3y h ILE 44 N -0.32 1.26 0.00 2.23 2.04 -1.09 0.19 117.51 121.82 2x3y h ILE 44 Ca -0.03 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2x3y h ILE 44 Cb 0.24 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2x3y h ILE 44 CO 0.05 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.43 2x3y h ALA 45 N 1.31 1.17 -0.41 1.87 0.00 -0.81 -1.41 119.26 120.99 2x3y h ALA 45 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2x3y h ALA 45 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2x3y h ALA 45 CO -0.06 0.05 0.00 0.94 0.00 0.00 0.00 179.25 180.18 2x3y n GLN 46 N -3.38 2.42 0.00 0.00 0.00 -0.67 -4.93 117.38 110.81 2x3y n GLN 46 Ca -0.02 -2.20 0.00 0.00 -0.00 0.00 0.00 57.00 54.78 2x3y n GLN 46 Cb 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 28.96 2x3y n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2x3y n GLY 47 N 1.25 0.93 2.47 1.69 0.00 -0.53 -5.07 105.19 105.93 2x3y n GLY 47 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 2x3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3y n GLY 48 N -1.76 -0.27 3.25 -0.02 0.00 0.57 -4.96 105.19 102.00 2x3y n GLY 48 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2x3y n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x3y s LYS 49 N -4.46 1.18 -0.16 1.61 -2.85 -1.26 -4.30 119.74 109.49 2x3y s LYS 49 Ca 0.45 -1.48 -0.02 0.00 -1.00 0.00 0.00 55.97 53.92 2x3y s LYS 49 Cb -0.02 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 2x3y s LYS 49 CO 0.31 -0.40 -0.09 0.08 0.10 0.00 0.00 175.35 175.35 2x3y s VAL 50 N -4.09 3.27 -0.03 1.79 1.01 -0.21 -1.44 120.40 120.70 2x3y s VAL 50 Ca 0.31 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2x3y s VAL 50 Cb 0.06 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2x3y s VAL 50 CO 0.08 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 174.91 2x3y s LEU 51 N 0.66 3.49 0.04 3.92 1.43 0.10 -0.42 118.68 127.89 2x3y s LEU 51 Ca -0.05 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2x3y s LEU 51 Cb -0.15 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2x3y s LEU 51 CO 0.02 0.31 -0.20 -0.76 0.23 0.00 0.00 176.35 175.96 2x3y s LEU 52 N -1.30 2.15 -0.05 1.79 1.02 -0.40 0.21 118.68 122.10 2x3y s LEU 52 Ca 0.17 -0.49 -0.05 0.00 0.02 0.00 0.00 54.13 53.77 2x3y s LEU 52 Cb -0.11 -0.95 0.01 0.00 0.02 0.00 0.00 46.19 45.16 2x3y s LEU 52 CO 0.07 0.16 0.14 0.00 0.02 0.00 0.00 176.35 176.75 2x3y s ALA 53 N -0.76 -0.35 -0.02 4.21 0.00 -0.25 -0.20 121.76 124.39 2x3y s ALA 53 Ca 0.07 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2x3y s ALA 53 Cb -0.09 -0.21 0.11 0.00 0.00 0.00 0.00 23.12 22.93 2x3y s ALA 53 CO 0.01 -0.08 1.04 0.20 0.00 0.00 0.00 175.76 176.94 2x3y s GLY 54 N -0.02 -0.37 0.11 0.00 0.00 -1.26 -0.96 107.32 104.82 2x3y s GLY 54 Ca -0.01 0.93 0.06 0.00 0.00 0.00 0.00 44.72 45.70 2x3y s GLY 54 CO 0.00 0.29 -0.01 -1.31 0.00 0.00 0.00 173.10 172.07 2x3y s ASN 55 N -2.57 4.93 1.32 1.64 0.01 -1.26 -3.75 114.94 115.26 2x3y s ASN 55 Ca 0.09 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2x3y s ASN 55 Cb -0.00 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.53 2x3y s ASN 55 CO -0.05 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 2x3y n GLY 56 N 0.40 3.48 0.30 0.66 0.00 -1.26 -1.25 105.19 107.53 2x3y n GLY 56 Ca -0.11 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2x3y n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x3y h GLY 57 N 0.00 1.32 2.00 -0.02 0.00 -2.01 0.88 103.07 105.24 2x3y h GLY 57 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2x3y h GLY 57 CO 0.00 0.01 0.00 1.44 0.00 0.00 0.00 176.54 177.99 2x3y n SER 58 N -4.85 0.69 -0.02 0.19 7.64 -0.38 -1.64 113.62 115.26 2x3y n SER 58 Ca 0.16 0.68 -0.16 0.00 1.01 0.00 0.00 58.87 60.56 2x3y n SER 58 Cb 0.38 -0.82 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 2x3y n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x3y h ALA 59 N 2.24 0.39 -0.61 -0.43 0.00 -0.67 -2.02 119.26 118.15 2x3y h ALA 59 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2x3y h ALA 59 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2x3y h ALA 59 CO 0.00 0.69 0.40 0.00 0.00 0.00 0.00 179.25 180.34 2x3y h ALA 60 N 0.65 0.78 -0.59 0.00 0.00 -1.09 -3.04 119.26 115.96 2x3y h ALA 60 Ca -0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2x3y h ALA 60 Cb 1.34 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2x3y h ALA 60 CO 0.15 0.23 0.10 -0.44 0.00 0.00 0.00 179.25 179.29 2x3y h ASP 61 N 0.83 0.90 -0.58 0.00 5.19 -1.32 -1.31 116.42 120.14 2x3y h ASP 61 Ca 0.22 -0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.48 2x3y h ASP 61 Cb -0.07 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.15 2x3y h ASP 61 CO -0.05 0.90 0.33 0.00 -3.12 0.00 0.00 179.24 177.31 2x3y h ALA 62 N 1.20 0.75 0.00 3.45 0.00 -1.25 -2.11 119.26 121.30 2x3y h ALA 62 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2x3y h ALA 62 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2x3y h ALA 62 CO 0.01 0.03 -1.07 -0.56 0.00 0.00 0.00 179.25 177.65 2x3y h GLN 63 N 0.64 0.00 -0.25 0.00 3.07 -1.41 -2.45 115.11 114.71 2x3y h GLN 63 Ca 0.25 0.00 0.06 0.00 0.09 0.00 0.00 58.65 59.04 2x3y h GLN 63 Cb 0.09 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.57 2x3y h GLN 63 CO -0.13 0.94 -0.41 1.25 0.09 0.00 0.00 178.83 180.57 2x3y h HIS 64 N 0.00 -1.17 -0.26 0.06 2.76 -0.96 0.95 115.15 116.54 2x3y h HIS 64 Ca -0.04 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2x3y h HIS 64 Cb 1.79 0.55 -0.01 0.00 1.55 0.00 0.00 27.41 31.29 2x3y h HIS 64 CO 0.00 -0.45 0.07 0.82 -1.30 0.00 0.00 177.93 177.07 2x3y h ILE 65 N -0.41 1.21 -0.68 6.26 1.08 -1.38 -2.78 117.51 120.80 2x3y h ILE 65 Ca 0.11 -0.67 0.13 0.00 -0.39 0.00 0.00 64.86 64.03 2x3y h ILE 65 Cb 0.60 1.16 -0.09 0.00 -3.07 0.00 0.00 36.82 35.42 2x3y h ILE 65 CO -0.47 0.22 0.23 0.00 -0.69 0.00 0.00 178.15 177.44 2x3y h ALA 66 N 0.89 0.90 -0.87 1.87 0.00 -1.16 -0.83 119.26 120.06 2x3y h ALA 66 Ca 0.08 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2x3y h ALA 66 Cb 0.27 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2x3y h ALA 66 CO -0.00 -0.25 0.56 0.78 0.00 0.00 0.00 179.25 180.35 2x3y h GLY 67 N 0.37 1.24 1.98 0.00 0.00 -0.55 -0.64 103.07 105.47 2x3y h GLY 67 Ca 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x3y h GLY 67 CO -0.40 0.24 -0.02 0.83 0.00 0.00 0.00 176.54 177.19 2x3y h GLU 68 N 0.91 0.00 -0.00 4.80 5.08 -0.97 0.55 114.58 124.95 2x3y h GLU 68 Ca 0.39 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.59 2x3y h GLU 68 Cb 0.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2x3y h GLU 68 CO -0.16 0.00 -0.61 0.74 -1.00 0.00 0.00 179.01 177.98 2x3y h PHE 69 N 0.00 0.62 0.17 4.33 0.04 -0.48 -3.24 116.94 118.38 2x3y h PHE 69 Ca 0.00 -0.34 -0.32 0.00 2.80 0.00 0.00 57.97 60.12 2x3y h PHE 69 Cb 0.93 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.03 2x3y h PHE 69 CO 0.00 1.15 -1.55 0.28 -0.60 0.00 0.00 178.31 177.59 2x3y h VAL 70 N -0.09 1.05 0.00 -0.55 2.07 -1.09 -0.47 116.25 117.17 2x3y h VAL 70 Ca -0.08 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2x3y h VAL 70 Cb 1.32 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 2x3y h VAL 70 CO 0.12 0.80 0.00 -0.24 0.02 0.00 0.00 177.57 178.27 2x3y n SER 71 N -3.74 0.00 -3.76 0.57 2.88 0.18 -4.23 113.62 105.53 2x3y n SER 71 Ca -0.23 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.18 2x3y n SER 71 Cb 1.01 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.37 2x3y n SER 71 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2x3y s ARG 72 N 0.32 0.45 0.00 -1.46 3.52 -1.24 -4.70 118.95 115.83 2x3y s ARG 72 Ca 0.00 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2x3y s ARG 72 Cb 0.00 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 2x3y s ARG 72 CO 0.00 -0.07 0.00 0.34 -0.81 0.00 0.00 175.30 174.76 2x3y n PHE 73 N 2.62 0.00 -0.01 5.12 -0.00 -1.22 -4.58 117.46 119.39 2x3y n PHE 73 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.34 2x3y n PHE 73 Cb 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.97 2x3y n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2x3y n ALA 74 N -2.37 2.29 -3.52 3.13 0.00 -1.26 -5.07 120.51 113.70 2x3y n ALA 74 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2x3y n ALA 74 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 2x3y n ALA 74 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2x3y s PHE 75 N -2.65 -0.33 0.11 0.00 -0.12 -1.26 -5.14 117.98 108.59 2x3y s PHE 75 Ca -0.04 0.01 -0.31 0.00 -0.05 0.00 0.00 56.93 56.54 2x3y s PHE 75 Cb 0.06 0.56 -0.07 0.00 -0.63 0.00 0.00 43.02 42.94 2x3y s PHE 75 CO 0.42 -0.98 1.28 -0.51 -0.05 0.00 0.00 175.22 175.38 2x3y s ASP 76 N -2.83 6.96 0.26 1.98 1.11 -1.26 -4.88 116.67 118.01 2x3y s ASP 76 Ca 0.06 2.19 -0.19 0.00 0.18 0.00 0.00 52.55 54.80 2x3y s ASP 76 Cb -0.03 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.45 2x3y s ASP 76 CO -0.04 -0.54 0.93 -2.11 1.18 0.00 0.00 175.17 174.59 2x3y n ARG 77 N 3.68 0.82 -1.15 8.23 -4.01 -1.26 -5.14 116.66 117.84 2x3y n ARG 77 Ca 0.09 -1.74 -0.31 0.00 -1.04 0.00 0.00 57.85 54.85 2x3y n ARG 77 Cb 0.44 2.28 0.11 0.00 -3.04 0.00 0.00 32.46 32.25 2x3y n ARG 77 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 2x3y s PRO 78 N -2.06 1.91 0.51 2.89 0.02 -1.26 -4.99 135.00 132.02 2x3y s PRO 78 Ca 0.20 1.20 -0.21 0.00 0.02 0.00 0.00 61.00 62.21 2x3y s PRO 78 Cb -0.04 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 2x3y s PRO 78 CO 0.08 -1.90 1.17 0.20 -0.33 0.00 0.00 177.00 176.22 2x3y s GLY 79 N -3.26 2.73 0.14 0.52 0.00 -1.26 -4.99 107.32 101.20 2x3y s GLY 79 Ca 0.62 0.93 0.05 0.00 0.00 0.00 0.00 44.72 46.32 2x3y s GLY 79 CO 0.57 1.34 0.11 1.08 0.00 0.00 0.00 173.10 176.20 2x3y s LEU 80 N -3.43 3.77 -0.99 0.66 1.43 -0.19 -4.99 118.68 114.94 2x3y s LEU 80 Ca 0.69 -0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.45 2x3y s LEU 80 Cb -0.28 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.61 2x3y s LEU 80 CO 0.32 0.10 1.36 -2.84 0.23 0.00 0.00 176.35 175.52 2x3y s PRO 81 N -2.90 3.59 0.01 1.29 0.02 -1.26 -3.95 135.00 131.80 2x3y s PRO 81 Ca 0.30 -1.29 0.04 0.00 0.02 0.00 0.00 61.00 60.07 2x3y s PRO 81 Cb -0.11 -5.23 -0.01 0.00 0.02 0.00 0.00 34.50 29.17 2x3y s PRO 81 CO 0.23 -2.09 -0.12 0.00 -0.33 0.00 0.00 177.00 174.69 2x3y s ALA 82 N 4.35 0.96 -0.06 -1.55 0.00 -1.26 -1.04 121.76 123.16 2x3y s ALA 82 Ca 0.42 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 2x3y s ALA 82 Cb -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2x3y s ALA 82 CO -0.10 0.20 0.00 0.08 0.00 0.00 0.00 175.76 175.94 2x3y s VAL 83 N -0.58 0.30 -0.09 0.00 1.01 0.44 -4.88 120.40 116.60 2x3y s VAL 83 Ca 0.02 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 2x3y s VAL 83 Cb -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 2x3y s VAL 83 CO 0.00 0.23 0.79 0.00 0.00 0.00 0.00 175.10 176.13 2x3y s ALA 84 N 1.76 3.36 -0.58 5.51 0.00 -1.26 -1.28 121.76 129.27 2x3y s ALA 84 Ca 0.01 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.20 2x3y s ALA 84 Cb -0.13 -3.11 0.34 0.00 0.00 0.00 0.00 23.12 20.23 2x3y s ALA 84 CO -0.04 -0.30 1.11 1.28 0.00 0.00 0.00 175.76 177.81 2x3y n LEU 85 N 4.27 3.37 -0.02 0.00 4.77 0.72 -3.96 117.00 126.16 2x3y n LEU 85 Ca 0.02 -1.72 0.02 0.00 -0.03 0.00 0.00 56.01 54.30 2x3y n LEU 85 Cb 0.50 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2x3y n LEU 85 CO 0.48 0.48 0.51 0.35 -1.33 0.00 0.00 177.39 177.88 2x3y n THR 86 N 0.18 1.17 -0.09 -5.08 -2.24 -1.26 -4.79 114.28 102.16 2x3y n THR 86 Ca 0.15 -1.24 -0.11 0.00 -2.27 0.00 0.00 64.05 60.58 2x3y n THR 86 Cb 0.73 0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 69.21 2x3y n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2x3y n THR 87 N -0.68 1.12 -2.73 4.28 -2.24 -1.25 -4.92 114.28 107.85 2x3y n THR 87 Ca 0.03 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 2x3y n THR 87 Cb 0.33 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 2x3y n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x3y s ASP 88 N -5.48 6.36 0.32 3.42 -1.08 -1.26 -4.90 116.67 114.04 2x3y s ASP 88 Ca -0.18 -0.24 0.25 0.00 -0.52 0.00 0.00 52.55 51.87 2x3y s ASP 88 Cb 0.06 -2.48 0.73 0.00 -1.46 0.00 0.00 42.92 39.76 2x3y s ASP 88 CO 0.55 -1.36 1.73 0.71 0.52 0.00 0.00 175.17 177.32 2x3y h THR 89 N 6.06 0.00 -0.21 1.71 1.35 -1.99 -0.61 112.91 119.23 2x3y h THR 89 Ca -0.26 -0.62 -0.14 0.00 -0.55 0.00 0.00 66.41 64.84 2x3y h THR 89 Cb 1.07 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2x3y h THR 89 CO 1.14 0.00 -0.42 0.28 -0.25 0.00 0.00 175.52 176.27 2x3y h SER 90 N 0.00 0.73 0.09 5.36 0.02 -1.98 -2.37 113.55 115.39 2x3y h SER 90 Ca 0.00 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2x3y h SER 90 Cb 0.76 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2x3y h SER 90 CO 0.00 1.14 -0.04 0.40 -1.14 0.00 0.00 176.83 177.19 2x3y h ILE 91 N 0.34 1.03 0.05 3.27 2.04 -1.86 -0.47 117.51 121.91 2x3y h ILE 91 Ca 0.01 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.45 2x3y h ILE 91 Cb 1.02 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2x3y h ILE 91 CO 0.09 0.11 -0.18 -0.07 0.00 0.00 0.00 178.15 178.10 2x3y h LEU 92 N -0.32 -0.51 -0.83 1.44 3.38 -1.20 -0.80 115.31 116.46 2x3y h LEU 92 Ca -0.01 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2x3y h LEU 92 Cb 0.27 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2x3y h LEU 92 CO 0.02 -0.25 -0.41 0.71 0.09 0.00 0.00 178.44 178.60 2x3y h THR 93 N -0.32 0.93 -0.10 0.22 1.35 -1.47 -1.68 112.91 111.85 2x3y h THR 93 Ca 0.04 -1.65 -0.03 0.00 -0.55 0.00 0.00 66.41 64.22 2x3y h THR 93 Cb 0.36 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2x3y h THR 93 CO -0.14 0.40 -0.06 0.00 -0.25 0.00 0.00 175.52 175.48 2x3y h ALA 94 N 1.59 0.14 -0.23 6.62 0.00 -0.81 -2.64 119.26 123.93 2x3y h ALA 94 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2x3y h ALA 94 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2x3y h ALA 94 CO 0.05 -0.07 0.05 0.82 0.00 0.00 0.00 179.25 180.10 2x3y h ILE 95 N -0.15 1.12 0.61 0.00 2.04 -1.09 0.20 117.51 120.23 2x3y h ILE 95 Ca 0.02 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2x3y h ILE 95 Cb 0.52 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2x3y h ILE 95 CO 0.02 0.15 -0.43 1.23 0.00 0.00 0.00 178.15 179.12 2x3y h GLY 96 N 0.53 -1.12 0.85 5.37 0.00 -1.19 -1.28 103.07 106.23 2x3y h GLY 96 Ca 0.08 0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.83 2x3y h GLY 96 CO -0.00 -0.38 -0.07 3.43 0.00 0.00 0.00 176.54 179.52 2x3y h ASN 97 N -1.00 0.50 0.04 0.19 4.21 -1.23 -2.27 115.58 116.03 2x3y h ASN 97 Ca -0.07 -0.37 -0.20 0.00 1.21 0.00 0.00 56.30 56.86 2x3y h ASN 97 Cb 0.82 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2x3y h ASN 97 CO 0.04 0.76 -0.72 0.44 -1.29 0.00 0.00 177.43 176.66 2x3y h ASP 98 N 0.23 0.71 0.00 5.81 3.32 -0.63 -3.39 116.42 122.46 2x3y h ASP 98 Ca 0.06 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2x3y h ASP 98 Cb 0.55 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2x3y h ASP 98 CO 0.03 1.21 0.00 -1.22 -1.72 0.00 0.00 179.24 177.54 2x3y n TYR 99 N -3.90 0.00 0.00 4.55 4.01 -0.58 -5.06 117.16 116.18 2x3y n TYR 99 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2x3y n TYR 99 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 2x3y n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x3y n GLY 100 N 0.22 2.25 0.23 2.72 0.00 -0.62 -4.66 105.19 105.33 2x3y n GLY 100 Ca 0.00 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.31 2x3y n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2x3y h TYR 101 N 0.00 0.04 0.00 1.61 5.03 -1.78 -2.14 116.97 119.72 2x3y h TYR 101 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2x3y h TYR 101 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.27 2x3y h TYR 101 CO 0.00 0.19 0.00 1.49 -1.32 0.00 0.00 178.16 178.52 2x3y h GLU 102 N 0.04 0.00 -0.00 1.82 4.81 -1.93 -2.15 114.58 117.17 2x3y h GLU 102 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2x3y h GLU 102 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2x3y h GLU 102 CO 0.02 0.00 -0.55 1.63 -0.73 0.00 0.00 179.01 179.38 2x3y n LYS 103 N -2.66 0.06 -0.12 1.92 4.76 -0.81 -4.41 118.16 116.91 2x3y n LYS 103 Ca -0.00 -0.04 0.01 0.00 -2.87 0.00 0.00 58.31 55.41 2x3y n LYS 103 Cb 0.17 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.89 2x3y n LYS 103 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2x3y n LEU 104 N -1.44 -0.17 -0.08 -0.35 4.77 -0.81 -1.19 117.00 117.73 2x3y n LEU 104 Ca 0.06 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.52 2x3y n LEU 104 Cb 0.34 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2x3y n LEU 104 CO 0.35 -0.54 -1.00 0.49 -1.33 0.00 0.00 177.39 175.37 2x3y n PHE 105 N -4.52 0.00 -0.18 -1.77 0.99 -1.26 -4.18 117.46 106.54 2x3y n PHE 105 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.58 2x3y n PHE 105 Cb 0.15 -0.66 0.38 0.00 -1.00 0.00 0.00 39.48 38.36 2x3y n PHE 105 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2x3y h SER 106 N 0.00 0.61 -0.08 4.37 4.64 -1.63 -0.42 113.55 121.04 2x3y h SER 106 Ca -0.37 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 60.76 2x3y h SER 106 Cb 1.70 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2x3y h SER 106 CO -0.02 0.38 -0.66 -0.09 -0.87 0.00 0.00 176.83 175.57 2x3y h ARG 107 N 0.68 0.71 -0.65 4.77 2.43 -1.37 -2.14 114.38 118.81 2x3y h ARG 107 Ca 0.33 -0.51 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 2x3y h ARG 107 Cb 0.38 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2x3y h ARG 107 CO -0.11 1.13 0.09 1.96 -1.51 0.00 0.00 179.97 181.53 2x3y h GLN 108 N 0.51 1.08 -0.62 0.20 4.20 -1.58 -2.05 115.11 116.86 2x3y h GLN 108 Ca -0.02 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2x3y h GLN 108 Cb 1.25 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 2x3y h GLN 108 CO 0.13 1.01 0.34 0.28 -0.67 0.00 0.00 178.83 179.92 2x3y h VAL 109 N 1.00 1.19 -0.11 -0.54 2.07 -1.04 -1.22 116.25 117.60 2x3y h VAL 109 Ca 0.20 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2x3y h VAL 109 Cb 0.46 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2x3y h VAL 109 CO 0.02 0.21 -0.40 -0.61 0.02 0.00 0.00 177.57 176.80 2x3y h GLN 110 N 0.86 0.24 0.12 1.57 -0.00 -0.97 -0.32 115.11 116.60 2x3y h GLN 110 Ca 0.22 -0.11 -0.24 0.00 -0.00 0.00 0.00 58.65 58.52 2x3y h GLN 110 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.50 2x3y h GLN 110 CO -0.04 0.60 -1.21 0.00 0.00 0.00 0.00 178.83 178.19 2x3y h ALA 111 N 1.39 0.10 0.00 3.38 0.00 -0.77 -3.39 119.26 119.97 2x3y h ALA 111 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2x3y h ALA 111 Cb 0.80 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2x3y h ALA 111 CO 0.06 0.68 -1.82 1.28 0.00 0.00 0.00 179.25 179.45 2x3y n LEU 112 N -4.01 0.11 -4.77 0.00 4.77 -0.52 -4.98 117.00 107.60 2x3y n LEU 112 Ca -0.22 -0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.32 2x3y n LEU 112 Cb 0.86 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.92 2x3y n LEU 112 CO 0.42 0.03 0.81 -0.83 -1.33 0.00 0.00 177.39 176.49 2x3y s GLY 113 N -4.18 2.91 0.07 -0.72 0.00 -0.13 -5.05 107.32 100.22 2x3y s GLY 113 Ca -0.06 0.90 0.05 0.00 0.00 0.00 0.00 44.72 45.61 2x3y s GLY 113 CO 0.85 1.43 -0.14 -1.31 0.00 0.00 0.00 173.10 173.93 2x3y s ASN 114 N -1.11 1.71 0.16 1.64 0.01 -1.26 -4.93 114.94 111.16 2x3y s ASN 114 Ca 0.52 -0.63 -0.33 0.00 -0.71 0.00 0.00 52.86 51.71 2x3y s ASN 114 Cb -0.30 -0.05 -0.16 0.00 0.41 0.00 0.00 41.25 41.15 2x3y s ASN 114 CO 0.38 -0.08 1.06 1.21 -1.51 0.00 0.00 177.10 178.15 2x3y n GLU 115 N 1.23 0.85 0.00 -0.60 2.13 -1.23 -0.96 120.64 122.05 2x3y n GLU 115 Ca -0.21 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2x3y n GLU 115 Cb 0.54 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2x3y n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x3y n GLY 116 N 1.91 2.54 3.61 8.31 0.00 -0.86 -4.96 105.19 115.74 2x3y n GLY 116 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2x3y n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x3y s ASP 117 N -1.57 1.84 -0.02 1.61 1.01 -0.14 -4.63 116.67 114.77 2x3y s ASP 117 Ca 0.00 1.14 0.08 0.00 0.71 0.00 0.00 52.55 54.47 2x3y s ASP 117 Cb 0.00 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 2x3y s ASP 117 CO 0.00 -3.61 -0.25 -0.69 0.21 0.00 0.00 175.17 170.83 2x3y s VAL 118 N -2.85 1.95 -0.18 -1.27 1.01 -0.52 -1.49 120.40 117.05 2x3y s VAL 118 Ca 0.67 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2x3y s VAL 118 Cb -0.19 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2x3y s VAL 118 CO 0.59 0.55 -0.09 -0.22 0.00 0.00 0.00 175.10 175.93 2x3y s LEU 119 N -0.57 2.76 -0.26 3.92 2.96 0.06 0.00 118.68 127.54 2x3y s LEU 119 Ca 0.09 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 2x3y s LEU 119 Cb -0.10 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2x3y s LEU 119 CO -0.01 0.05 0.07 -0.63 -1.32 0.00 0.00 176.35 174.52 2x3y s ILE 120 N 1.02 4.16 -0.10 6.68 1.01 0.13 -0.43 121.20 133.67 2x3y s ILE 120 Ca -0.01 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2x3y s ILE 120 Cb -0.15 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 2x3y s ILE 120 CO -0.01 0.26 -0.23 -0.83 0.00 0.00 0.00 174.94 174.13 2x3y s GLY 121 N 1.57 1.35 -0.14 6.18 0.00 0.30 -1.09 107.32 115.50 2x3y s GLY 121 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 2x3y s GLY 121 CO 0.03 -0.34 0.07 -0.19 0.00 0.00 0.00 173.10 172.67 2x3y s TYR 122 N 0.30 3.35 -0.26 1.90 2.02 -0.14 -1.39 117.35 123.13 2x3y s TYR 122 Ca -0.17 0.27 -0.06 0.00 -0.37 0.00 0.00 57.07 56.73 2x3y s TYR 122 Cb -0.17 -1.95 0.13 0.00 -0.40 0.00 0.00 41.96 39.56 2x3y s TYR 122 CO 0.08 0.44 0.54 0.45 -1.57 0.00 0.00 175.55 175.49 2x3y s SER 123 N -0.44 -0.76 0.31 2.29 0.15 -0.82 -4.45 113.70 109.98 2x3y s SER 123 Ca 0.10 1.09 0.14 0.00 0.70 0.00 0.00 55.95 57.99 2x3y s SER 123 Cb -0.12 1.85 0.44 0.00 -1.71 0.00 0.00 66.02 66.48 2x3y s SER 123 CO 0.02 -0.24 1.63 0.71 1.20 0.00 0.00 173.24 176.56 2x3y h THR 124 N 6.07 1.15 0.00 6.45 1.35 -1.93 -3.14 112.91 122.87 2x3y h THR 124 Ca -0.19 -1.95 -0.12 0.00 -0.55 0.00 0.00 66.41 63.60 2x3y h THR 124 Cb 1.12 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 69.64 2x3y h THR 124 CO 0.16 0.51 -0.81 0.77 -0.25 0.00 0.00 175.52 175.90 2x3y h SER 125 N 0.00 0.00 0.00 5.36 4.64 -1.95 -3.29 113.55 118.31 2x3y h SER 125 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2x3y h SER 125 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2x3y h SER 125 CO 0.07 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 2x3y n GLY 126 N 1.28 1.37 0.00 -0.77 0.00 -1.18 -4.82 105.19 101.07 2x3y n GLY 126 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2x3y n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x3y n LYS 127 N -2.00 5.62 -1.35 1.61 5.02 -1.26 -4.02 118.16 121.78 2x3y n LYS 127 Ca 0.00 -0.02 -0.55 0.00 -2.02 0.00 0.00 58.31 55.72 2x3y n LYS 127 Cb 0.00 -0.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.23 2x3y n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2x3y n SER 128 N -1.06 1.36 -0.37 4.39 7.64 -1.26 -4.82 113.62 119.51 2x3y n SER 128 Ca 0.01 0.53 -0.00 0.00 1.01 0.00 0.00 58.87 60.42 2x3y n SER 128 Cb 0.06 -1.07 0.14 0.00 -1.01 0.00 0.00 64.21 62.33 2x3y n SER 128 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2x3y h PRO 129 N 10.72 1.22 0.00 1.43 0.11 -1.97 -1.43 132.00 142.08 2x3y h PRO 129 Ca -0.17 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 2x3y h PRO 129 Cb 1.37 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2x3y h PRO 129 CO 1.07 0.81 -0.21 -2.95 -0.21 0.00 0.00 178.00 176.51 2x3y h ASN 130 N 1.26 0.00 -0.02 -2.05 7.08 -1.88 -0.73 115.58 119.24 2x3y h ASN 130 Ca 0.39 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.57 2x3y h ASN 130 Cb -0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.23 2x3y h ASN 130 CO -0.12 0.21 -0.15 0.40 -2.08 0.00 0.00 177.43 175.69 2x3y h ILE 131 N 0.00 1.51 -0.60 6.14 1.08 -1.65 -2.57 117.51 121.42 2x3y h ILE 131 Ca -0.00 -1.70 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 2x3y h ILE 131 Cb 0.77 2.56 -0.03 0.00 -3.07 0.00 0.00 36.82 37.05 2x3y h ILE 131 CO 0.03 0.46 0.35 -0.07 -0.69 0.00 0.00 178.15 178.23 2x3y h LEU 132 N -0.48 0.73 -1.18 1.44 3.38 -1.12 -1.10 115.31 116.97 2x3y h LEU 132 Ca -0.01 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2x3y h LEU 132 Cb 0.83 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2x3y h LEU 132 CO 0.03 0.58 0.57 0.00 0.09 0.00 0.00 178.44 179.71 2x3y h ALA 133 N 1.17 1.50 -0.81 1.53 0.00 -1.22 -1.47 119.26 119.96 2x3y h ALA 133 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2x3y h ALA 133 Cb -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2x3y h ALA 133 CO -0.04 0.40 0.49 0.00 0.00 0.00 0.00 179.25 180.10 2x3y h ALA 134 N 1.51 1.03 -0.67 0.00 0.00 -0.80 -2.30 119.26 118.03 2x3y h ALA 134 Ca 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2x3y h ALA 134 Cb 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2x3y h ALA 134 CO -0.12 0.49 0.32 0.74 0.00 0.00 0.00 179.25 180.68 2x3y h PHE 135 N 1.10 0.97 -0.20 0.00 0.04 -0.50 -0.38 116.94 117.97 2x3y h PHE 135 Ca 0.29 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2x3y h PHE 135 Cb -0.05 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.79 2x3y h PHE 135 CO -0.01 0.73 0.13 0.00 -0.60 0.00 0.00 178.31 178.55 2x3y h ARG 136 N 0.93 0.25 -0.08 1.51 3.08 -1.05 -0.20 114.38 118.82 2x3y h ARG 136 Ca 0.23 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2x3y h ARG 136 Cb 0.12 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2x3y h ARG 136 CO -0.03 0.17 0.05 1.49 -1.07 0.00 0.00 179.97 180.57 2x3y h GLU 137 N 0.26 0.11 -0.35 0.04 4.57 -1.26 -2.00 114.58 115.95 2x3y h GLU 137 Ca 0.07 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 2x3y h GLU 137 Cb -0.02 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.47 2x3y h GLU 137 CO -0.02 0.13 -0.23 0.00 -1.18 0.00 0.00 179.01 177.71 2x3y h ALA 138 N 0.97 -0.03 -0.77 2.92 0.00 -0.78 -1.70 119.26 119.88 2x3y h ALA 138 Ca 0.03 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2x3y h ALA 138 Cb 0.05 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2x3y h ALA 138 CO -0.00 -0.62 0.33 -0.22 0.00 0.00 0.00 179.25 178.73 2x3y h LYS 139 N -0.19 1.12 0.00 0.00 3.64 -0.93 -1.42 116.57 118.80 2x3y h LYS 139 Ca 0.17 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2x3y h LYS 139 Cb 0.46 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2x3y h LYS 139 CO -0.46 0.89 -0.12 0.00 -2.27 0.00 0.00 179.45 177.49 2x3y h ALA 140 N 1.26 1.21 -0.01 5.00 0.00 -0.68 -1.47 119.26 124.56 2x3y h ALA 140 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x3y h ALA 140 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2x3y h ALA 140 CO -0.03 0.15 -0.04 1.63 0.00 0.00 0.00 179.25 180.97 2x3y n LYS 141 N -3.53 1.49 -1.41 0.00 5.02 -0.70 -4.92 118.16 114.10 2x3y n LYS 141 Ca -0.01 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 2x3y n LYS 141 Cb 0.27 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2x3y n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x3y n GLY 142 N 1.19 0.42 3.90 0.72 0.00 -0.55 -3.49 105.19 107.39 2x3y n GLY 142 Ca 0.18 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2x3y n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x3y s MET 143 N -2.83 3.65 0.15 1.61 -1.94 -0.61 -2.04 119.30 117.29 2x3y s MET 143 Ca 0.00 0.05 -0.28 0.00 -1.71 0.00 0.00 55.69 53.75 2x3y s MET 143 Cb 0.00 -2.63 -0.07 0.00 2.01 0.00 0.00 34.83 34.14 2x3y s MET 143 CO 0.00 0.20 0.88 0.99 -0.01 0.00 0.00 175.02 177.09 2x3y s THR 144 N -2.09 4.39 -0.27 2.05 2.01 -0.56 -4.22 115.64 116.96 2x3y s THR 144 Ca 0.45 1.92 -0.07 0.00 0.31 0.00 0.00 61.69 64.30 2x3y s THR 144 Cb -0.11 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2x3y s THR 144 CO 0.29 0.42 0.07 0.00 -0.69 0.00 0.00 174.62 174.71 2x3y s VAL 146 N 1.55 2.94 0.03 0.00 1.01 0.43 -0.71 120.40 125.66 2x3y s VAL 146 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2x3y s VAL 146 Cb -0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2x3y s VAL 146 CO 0.03 0.51 -0.10 -0.83 0.00 0.00 0.00 175.10 174.70 2x3y s GLY 147 N 0.68 1.71 -0.20 4.51 0.00 0.21 -0.54 107.32 113.68 2x3y s GLY 147 Ca -0.06 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.55 2x3y s GLY 147 CO 0.02 -1.01 -0.12 -1.36 0.00 0.00 0.00 173.10 170.63 2x3y s PHE 148 N -1.02 2.59 0.07 1.90 0.08 -0.49 -1.14 117.98 119.98 2x3y s PHE 148 Ca 0.17 -1.70 0.01 0.00 0.12 0.00 0.00 56.93 55.54 2x3y s PHE 148 Cb -0.11 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2x3y s PHE 148 CO 0.08 -0.77 0.07 -2.37 -0.10 0.00 0.00 175.22 172.13 2x3y n THR 149 N 4.64 0.00 -0.75 0.64 5.66 0.38 -1.95 114.28 122.90 2x3y n THR 149 Ca -0.16 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2x3y n THR 149 Cb 0.46 0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 2x3y n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2x3y n GLY 150 N -0.13 1.42 0.97 1.09 0.00 -1.24 -1.15 105.19 106.15 2x3y n GLY 150 Ca 0.01 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.34 2x3y n GLY 150 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x3y n ASN 151 N 0.00 2.81 -3.94 1.61 0.23 -0.26 -3.68 115.26 112.03 2x3y n ASN 151 Ca 0.00 -2.05 -0.31 0.00 -0.53 0.00 0.00 54.58 51.69 2x3y n ASN 151 Cb 0.00 -0.36 -0.15 0.00 -2.08 0.00 0.00 39.78 37.19 2x3y n ASN 151 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2x3y s ARG 152 N -1.40 1.28 -0.00 -3.83 3.00 -1.26 -4.99 118.95 111.74 2x3y s ARG 152 Ca 0.34 -1.62 0.08 0.00 0.00 0.00 0.00 55.73 54.52 2x3y s ARG 152 Cb 0.18 -2.85 0.22 0.00 0.00 0.00 0.00 34.95 32.51 2x3y s ARG 152 CO 0.22 -0.94 1.17 0.41 0.00 0.00 0.00 175.30 176.16 2x3y n GLY 153 N 4.43 0.24 3.84 -3.53 0.00 -1.26 -4.24 105.19 104.67 2x3y n GLY 153 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2x3y n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3y n GLY 154 N 0.87 1.15 0.13 -0.02 0.00 -1.26 -0.55 105.19 105.50 2x3y n GLY 154 Ca 0.08 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2x3y n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x3y h GLU 155 N 0.00 0.00 -0.32 1.61 5.08 -1.93 -3.35 114.58 115.68 2x3y h GLU 155 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2x3y h GLU 155 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2x3y h GLU 155 CO 0.00 0.00 0.21 0.52 -1.00 0.00 0.00 179.01 178.74 2x3y h MET 156 N 0.00 0.28 -0.31 2.33 2.86 -1.03 -2.11 114.93 116.96 2x3y h MET 156 Ca 0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2x3y h MET 156 Cb 0.84 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.36 2x3y h MET 156 CO 0.00 0.19 -0.48 0.00 1.06 0.00 0.00 176.91 177.67 2x3y h ARG 157 N 0.29 -0.41 -0.08 1.72 3.08 -1.63 0.23 114.38 117.58 2x3y h ARG 157 Ca 0.13 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 2x3y h ARG 157 Cb 0.17 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2x3y h ARG 157 CO -0.03 -0.27 -0.38 1.05 -1.07 0.00 0.00 179.97 179.27 2x3y h GLU 158 N -0.43 0.17 0.13 0.04 4.11 -1.67 -3.30 114.58 113.63 2x3y h GLU 158 Ca 0.09 -0.08 -0.30 0.00 0.07 0.00 0.00 59.36 59.14 2x3y h GLU 158 Cb 0.62 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2x3y h GLU 158 CO -0.52 0.54 -1.50 -0.07 0.07 0.00 0.00 179.01 177.53 2x3y h LEU 159 N 0.15 0.43 -9.83 3.06 3.38 -1.03 -3.46 115.31 108.00 2x3y h LEU 159 Ca 0.02 -0.56 -0.54 0.00 0.09 0.00 0.00 57.88 56.88 2x3y h LEU 159 Cb 0.75 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2x3y h LEU 159 CO 0.06 1.46 0.00 0.00 0.09 0.00 0.00 178.44 180.05 2x3y h ASP 161 N 3.61 0.00 -3.53 0.00 3.32 -1.23 -3.45 116.42 115.14 2x3y h ASP 161 Ca -0.48 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.28 2x3y h ASP 161 Cb 1.20 -0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 2x3y h ASP 161 CO 0.65 0.88 -0.72 -0.76 -1.72 0.00 0.00 179.24 177.58 2x3y s LEU 162 N -6.99 1.11 -0.07 1.55 1.43 -0.89 -5.04 118.68 109.78 2x3y s LEU 162 Ca 0.00 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2x3y s LEU 162 Cb 0.11 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.32 2x3y s LEU 162 CO 0.80 -0.12 -0.08 -0.22 0.23 0.00 0.00 176.35 176.96 2x3y s LEU 163 N 1.00 1.36 -0.25 1.79 2.96 -1.26 -0.62 118.68 123.66 2x3y s LEU 163 Ca -0.08 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2x3y s LEU 163 Cb -0.12 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 2x3y s LEU 163 CO -0.03 -0.05 0.07 -0.76 -1.32 0.00 0.00 176.35 174.27 2x3y s LEU 164 N 1.11 3.48 -0.33 -0.68 1.43 -0.29 -4.98 118.68 118.43 2x3y s LEU 164 Ca -0.07 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2x3y s LEU 164 Cb -0.14 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.21 2x3y s LEU 164 CO -0.01 -0.02 0.06 -1.61 0.23 0.00 0.00 176.35 174.99 2x3y s GLU 165 N 1.56 2.33 0.07 1.70 2.02 -1.26 -0.47 118.70 124.64 2x3y s GLU 165 Ca 0.06 -1.40 -0.31 0.00 0.02 0.00 0.00 54.97 53.34 2x3y s GLU 165 Cb -0.15 -3.30 -0.07 0.00 0.10 0.00 0.00 34.13 30.71 2x3y s GLU 165 CO 0.04 -0.74 1.34 0.08 0.02 0.00 0.00 175.26 176.00 2x3y s VAL 166 N 1.23 3.62 -0.87 2.63 1.01 -0.30 -4.83 120.40 122.90 2x3y s VAL 166 Ca -0.01 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 2x3y s VAL 166 Cb -0.20 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2x3y s VAL 166 CO -0.02 0.06 2.03 -0.81 0.00 0.00 0.00 175.10 176.37 2x3y n PRO 167 N 4.38 1.87 -3.75 2.72 -0.04 -1.26 -2.15 135.00 136.76 2x3y n PRO 167 Ca 0.11 -1.63 -0.10 0.00 -0.04 0.00 0.00 63.50 61.85 2x3y n PRO 167 Cb 0.44 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 2x3y n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2x3y s SER 168 N 4.03 -0.25 0.00 3.54 0.15 -1.26 -4.87 113.70 115.04 2x3y s SER 168 Ca 0.46 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2x3y s SER 168 Cb 0.12 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2x3y s SER 168 CO 0.02 -1.06 0.11 0.00 1.20 0.00 0.00 173.24 173.51 2x3y n ALA 169 N -0.34 2.03 -2.60 5.45 0.00 -1.26 -1.10 120.51 122.69 2x3y n ALA 169 Ca -0.10 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.83 2x3y n ALA 169 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 2x3y n ALA 169 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3y s ASP 170 N -0.75 6.37 0.22 0.00 2.15 -1.26 -5.01 116.67 118.40 2x3y s ASP 170 Ca 0.00 0.32 -0.08 0.00 0.43 0.00 0.00 52.55 53.21 2x3y s ASP 170 Cb 0.00 -2.27 0.36 0.00 -0.30 0.00 0.00 42.92 40.71 2x3y s ASP 170 CO 0.00 -0.34 1.69 0.71 -0.17 0.00 0.00 175.17 177.07 2x3y h THR 171 N 5.47 0.58 -0.54 1.71 1.35 -1.94 -0.56 112.91 118.98 2x3y h THR 171 Ca -0.29 -0.09 0.09 0.00 -0.55 0.00 0.00 66.41 65.57 2x3y h THR 171 Cb 1.14 0.30 -0.07 0.00 -1.73 0.00 0.00 68.15 67.79 2x3y h THR 171 CO 0.72 0.05 0.14 -0.65 -0.25 0.00 0.00 175.52 175.53 2x3y h PRO 172 N 0.26 0.28 -0.32 4.72 0.11 -2.00 -0.94 132.00 134.11 2x3y h PRO 172 Ca 0.35 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 2x3y h PRO 172 Cb 0.56 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2x3y h PRO 172 CO -0.45 0.19 -0.34 0.87 -0.21 0.00 0.00 178.00 178.05 2x3y h LYS 173 N 0.29 0.70 -0.52 1.05 1.79 -1.59 -1.46 116.57 116.83 2x3y h LYS 173 Ca 0.27 -0.33 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 2x3y h LYS 173 Cb 0.36 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2x3y h LYS 173 CO -0.32 0.94 0.09 0.82 -1.08 0.00 0.00 179.45 179.89 2x3y h ILE 174 N 0.59 1.23 -0.22 1.86 2.04 -0.90 -1.94 117.51 120.17 2x3y h ILE 174 Ca 0.06 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2x3y h ILE 174 Cb 0.86 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2x3y h ILE 174 CO 0.07 0.32 -0.08 1.56 0.00 0.00 0.00 178.15 180.03 2x3y h GLN 175 N 0.78 0.43 -0.85 2.37 4.20 -0.75 -1.42 115.11 119.87 2x3y h GLN 175 Ca 0.17 -0.18 0.14 0.00 0.06 0.00 0.00 58.65 58.84 2x3y h GLN 175 Cb 0.35 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 2x3y h GLN 175 CO 0.01 0.69 0.45 0.93 -0.67 0.00 0.00 178.83 180.24 2x3y h GLU 176 N 0.15 0.64 -0.69 1.46 5.08 -1.16 -0.82 114.58 119.24 2x3y h GLU 176 Ca 0.05 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2x3y h GLU 176 Cb 0.55 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2x3y h GLU 176 CO 0.03 0.42 0.29 0.78 -1.00 0.00 0.00 179.01 179.53 2x3y h GLY 177 N 0.66 1.10 1.00 -3.84 0.00 -0.96 -2.68 103.07 98.35 2x3y h GLY 177 Ca 0.46 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2x3y h GLY 177 CO -0.34 0.55 0.35 0.45 0.00 0.00 0.00 176.54 177.55 2x3y h HIS 178 N 0.98 0.67 -0.29 5.60 3.86 -0.09 -0.94 115.15 124.93 2x3y h HIS 178 Ca 0.23 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2x3y h HIS 178 Cb 0.18 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2x3y h HIS 178 CO 0.01 0.42 0.13 1.25 0.86 0.00 0.00 177.93 180.60 2x3y h LEU 179 N 0.72 0.17 -0.29 2.43 5.85 -1.23 0.31 115.31 123.27 2x3y h LEU 179 Ca 0.20 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2x3y h LEU 179 Cb -0.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2x3y h LEU 179 CO -0.04 0.13 0.09 0.58 -0.34 0.00 0.00 178.44 178.86 2x3y h VAL 180 N 0.27 0.91 -0.00 1.05 2.07 -1.11 -0.65 116.25 118.78 2x3y h VAL 180 Ca 0.13 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 2x3y h VAL 180 Cb 0.07 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2x3y h VAL 180 CO -0.11 0.04 -0.66 -0.07 0.02 0.00 0.00 177.57 176.79 2x3y h LEU 181 N 0.21 0.02 0.01 2.57 3.38 -0.92 -2.87 115.31 117.72 2x3y h LEU 181 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2x3y h LEU 181 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2x3y h LEU 181 CO -0.14 0.67 -0.00 1.23 0.09 0.00 0.00 178.44 180.29 2x3y h GLY 182 N 1.96 -0.01 -0.05 0.83 0.00 0.02 -1.76 103.07 104.06 2x3y h GLY 182 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2x3y h GLY 182 CO 0.09 -0.00 -0.11 0.45 0.00 0.00 0.00 176.54 176.96 2x3y h HIS 183 N -0.19 -0.24 -0.67 5.60 3.86 -1.06 -1.52 115.15 120.93 2x3y h HIS 183 Ca -0.00 0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2x3y h HIS 183 Cb 0.19 0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2x3y h HIS 183 CO -0.02 -0.22 0.43 0.82 0.86 0.00 0.00 177.93 179.81 2x3y h ILE 184 N 0.02 1.13 -0.95 2.45 2.04 -1.33 0.44 117.51 121.30 2x3y h ILE 184 Ca 0.26 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2x3y h ILE 184 Cb 0.40 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 2x3y h ILE 184 CO -0.54 0.16 0.62 0.58 0.00 0.00 0.00 178.15 178.96 2x3y h VAL 185 N 0.85 1.15 0.46 1.67 2.07 -0.47 -1.60 116.25 120.38 2x3y h VAL 185 Ca 0.26 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2x3y h VAL 185 Cb -0.04 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.60 2x3y h VAL 185 CO -0.08 0.22 -0.25 0.00 0.02 0.00 0.00 177.57 177.47 2x3y n GLY 187 N -1.33 -2.02 0.24 0.00 0.00 0.03 -0.09 105.19 102.01 2x3y n GLY 187 Ca -0.08 1.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.92 2x3y n GLY 187 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x3y h LEU 188 N 0.00 0.67 -0.09 0.99 3.38 -1.27 0.02 115.31 119.02 2x3y h LEU 188 Ca 0.26 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2x3y h LEU 188 Cb 0.49 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2x3y h LEU 188 CO -0.89 0.48 -0.05 0.58 0.09 0.00 0.00 178.44 178.65 2x3y h VAL 189 N 0.79 1.34 -0.56 1.22 2.07 -0.06 -0.51 116.25 120.54 2x3y h VAL 189 Ca 0.22 -1.11 0.10 0.00 0.82 0.00 0.00 66.70 66.73 2x3y h VAL 189 Cb -0.08 1.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 2x3y h VAL 189 CO -0.06 0.31 0.13 -0.08 0.02 0.00 0.00 177.57 177.90 2x3y h GLU 190 N -0.20 0.27 -0.22 1.57 4.81 -0.34 -1.91 114.58 118.57 2x3y h GLU 190 Ca 0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2x3y h GLU 190 Cb 0.52 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2x3y h GLU 190 CO 0.01 0.18 -0.24 1.25 -0.73 0.00 0.00 179.01 179.48 2x3y h HIS 191 N 0.27 0.66 -0.97 0.92 2.76 -0.91 -1.51 115.15 116.37 2x3y h HIS 191 Ca 0.29 -0.20 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2x3y h HIS 191 Cb 0.40 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 2x3y h HIS 191 CO -0.23 0.90 0.64 1.03 -1.30 0.00 0.00 177.93 178.98 2x3y h SER 192 N 0.24 1.09 0.26 3.26 0.87 -0.79 0.19 113.55 118.67 2x3y h SER 192 Ca 0.03 -0.02 -0.34 0.00 -1.23 0.00 0.00 61.79 60.23 2x3y h SER 192 Cb 0.80 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2x3y h SER 192 CO 0.06 0.77 -1.76 0.40 -0.53 0.00 0.00 176.83 175.77 2x3y h ILE 193 N 1.28 0.90 -0.01 2.23 2.04 -1.35 -3.40 117.51 119.20 2x3y h ILE 193 Ca 0.37 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.68 2x3y h ILE 193 Cb -0.08 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2x3y h ILE 193 CO -0.10 0.83 0.00 0.49 0.00 0.00 0.00 178.15 179.38 2x3y n PHE 194 N -3.49 0.01 0.78 1.37 0.99 -0.57 -5.11 117.46 111.44 2x3y n PHE 194 Ca -0.24 -0.29 0.06 0.00 -0.00 0.00 0.00 57.45 56.99 2x3y n PHE 194 Cb 1.06 -0.03 0.37 0.00 -1.00 0.00 0.00 39.48 39.88 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17