#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipd n ASN 9 N 0.00 4.36 0.07 0.55 5.15 -1.26 -4.53 115.26 119.60 3ipd n ASN 9 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 3ipd n ASN 9 Cb 0.00 0.71 -0.04 0.00 -0.53 0.00 0.00 39.78 39.92 3ipd n ASN 9 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ipd n GLU 10 N -1.50 0.61 -0.11 1.20 1.02 -1.26 -3.46 120.64 117.14 3ipd n GLU 10 Ca 0.00 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 3ipd n GLU 10 Cb 0.17 -1.81 0.32 0.00 -0.02 0.00 0.00 31.44 30.11 3ipd n GLU 10 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ipd n LEU 11 N -2.73 2.11 -0.03 -4.62 4.77 -1.26 -3.91 117.00 111.33 3ipd n LEU 11 Ca -0.04 -0.89 -0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3ipd n LEU 11 Cb 0.65 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3ipd n LEU 11 CO 0.41 0.45 -0.73 1.21 -1.33 0.00 0.00 177.39 177.40 3ipd n GLU 12 N 0.62 1.53 -0.35 3.23 2.13 -1.24 -4.42 120.64 122.13 3ipd n GLU 12 Ca 0.17 -0.04 0.06 0.00 0.66 0.00 0.00 57.16 58.00 3ipd n GLU 12 Cb 0.40 -1.24 0.21 0.00 0.27 0.00 0.00 31.44 31.08 3ipd n GLU 12 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3ipd n GLU 13 N -2.14 2.57 -0.00 5.31 1.02 -1.23 -3.46 120.64 122.72 3ipd n GLU 13 Ca -0.10 -1.71 0.01 0.00 -0.02 0.00 0.00 57.16 55.34 3ipd n GLU 13 Cb 0.57 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3ipd n GLU 13 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3ipd n MET 14 N 0.61 4.97 0.00 3.49 1.56 -1.26 -4.37 117.12 122.13 3ipd n MET 14 Ca 0.15 -0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.66 3ipd n MET 14 Cb 0.56 -0.67 -0.03 0.00 2.15 0.00 0.00 33.22 35.22 3ipd n MET 14 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3ipd n GLN 15 N -1.16 1.68 0.07 2.12 6.02 -1.24 -3.49 117.38 121.39 3ipd n GLN 15 Ca 0.00 -0.55 -0.18 0.00 -0.01 0.00 0.00 57.00 56.27 3ipd n GLN 15 Cb 0.02 -1.28 -0.14 0.00 1.02 0.00 0.00 30.24 29.86 3ipd n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ipd h ARG 16 N 1.23 0.28 0.00 -1.09 3.08 -1.79 -2.60 114.38 113.49 3ipd h ARG 16 Ca 0.00 -0.48 -0.08 0.00 0.07 0.00 0.00 59.98 59.49 3ipd h ARG 16 Cb 0.50 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3ipd h ARG 16 CO 0.00 1.16 -0.40 0.00 -1.07 0.00 0.00 179.97 179.66 3ipd h ARG 17 N 0.08 0.00 -0.13 0.04 2.47 -1.76 -0.02 114.38 115.06 3ipd h ARG 17 Ca -0.24 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.25 3ipd h ARG 17 Cb 2.03 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.36 3ipd h ARG 17 CO 0.17 0.40 -0.80 0.00 0.56 0.00 0.00 179.97 180.31 3ipd h ALA 18 N 1.60 0.33 -0.09 0.04 0.00 -1.64 -1.61 119.26 117.89 3ipd h ALA 18 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ipd h ALA 18 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ipd h ALA 18 CO 0.05 0.70 0.00 -3.47 0.00 0.00 0.00 179.25 176.53 3ipd n ASP 19 N -3.91 1.51 -0.02 0.00 2.03 -0.98 -3.57 116.55 111.61 3ipd n ASP 19 Ca -0.07 -1.59 -0.09 0.00 0.52 0.00 0.00 54.79 53.55 3ipd n ASP 19 Cb 0.76 -0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 40.96 3ipd n ASP 19 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3ipd h GLN 20 N 2.17 0.01 -0.00 -0.67 4.15 -0.62 -3.33 115.11 116.82 3ipd h GLN 20 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ipd h GLN 20 Cb 0.47 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3ipd h GLN 20 CO 0.00 0.54 -0.11 1.28 -1.93 0.00 0.00 178.83 178.61 3ipd n LEU 21 N -3.07 0.17 -0.31 -2.39 4.77 -0.64 -2.95 117.00 112.58 3ipd n LEU 21 Ca -0.17 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 3ipd n LEU 21 Cb 1.05 -0.37 0.24 0.00 -2.33 0.00 0.00 43.42 42.01 3ipd n LEU 21 CO 0.45 0.04 0.52 0.00 -1.33 0.00 0.00 177.39 177.07 3ipd n ALA 22 N -1.37 3.29 -0.03 -1.18 0.00 -1.24 -2.20 120.51 117.77 3ipd n ALA 22 Ca 0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 53.01 3ipd n ALA 22 Cb 0.31 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 3ipd n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ipd n ASP 23 N -0.50 0.40 0.05 0.00 8.00 -1.15 -2.98 116.55 120.38 3ipd n ASP 23 Ca 0.11 0.18 0.07 0.00 0.71 0.00 0.00 54.79 55.86 3ipd n ASP 23 Cb 0.39 0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 42.14 3ipd n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ipd n GLU 24 N -2.76 0.63 0.14 -1.24 1.02 -1.21 -1.69 120.64 115.52 3ipd n GLU 24 Ca -0.19 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3ipd n GLU 24 Cb 0.95 -1.73 0.05 0.00 -0.02 0.00 0.00 31.44 30.70 3ipd n GLU 24 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3ipd h SER 25 N 0.00 0.00 0.45 1.62 0.02 -1.61 -2.07 113.55 111.95 3ipd h SER 25 Ca -0.07 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.58 3ipd h SER 25 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 3ipd h SER 25 CO 0.01 0.11 -1.73 0.25 -1.14 0.00 0.00 176.83 174.33 3ipd h LEU 26 N 0.00 0.06 -0.19 5.07 7.12 -1.62 -3.02 115.31 122.73 3ipd h LEU 26 Ca -0.02 -0.14 -0.21 0.00 0.13 0.00 0.00 57.88 57.64 3ipd h LEU 26 Cb 1.10 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 3ipd h LEU 26 CO 0.01 1.13 -0.94 -0.08 -0.13 0.00 0.00 178.44 178.42 3ipd h GLU 27 N 0.01 0.23 0.00 1.25 4.57 -1.41 -3.21 114.58 116.03 3ipd h GLU 27 Ca -0.30 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.60 3ipd h GLU 27 Cb 2.01 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.68 3ipd h GLU 27 CO 0.08 1.02 -0.21 0.66 -1.18 0.00 0.00 179.01 179.38 3ipd h SER 28 N 0.12 0.00 0.93 1.04 4.64 -1.51 -2.24 113.55 116.53 3ipd h SER 28 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3ipd h SER 28 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3ipd h SER 28 CO 0.15 0.05 0.00 1.07 -0.87 0.00 0.00 176.83 177.23 3ipd n THR 29 N -3.05 0.50 -0.12 2.95 5.66 -1.14 -0.94 114.28 118.15 3ipd n THR 29 Ca 0.03 0.04 -0.18 0.00 -3.05 0.00 0.00 64.05 60.89 3ipd n THR 29 Cb 0.56 -0.74 -0.12 0.00 -1.55 0.00 0.00 70.33 68.47 3ipd n THR 29 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ipd n ARG 30 N -1.77 0.66 0.21 1.09 1.74 -1.15 -3.39 116.66 114.05 3ipd n ARG 30 Ca 0.05 0.16 0.06 0.00 -0.77 0.00 0.00 57.85 57.35 3ipd n ARG 30 Cb 0.30 -1.54 0.46 0.00 -1.02 0.00 0.00 32.46 30.66 3ipd n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ipd h ARG 31 N 0.01 0.00 0.03 5.56 3.08 -1.31 -2.47 114.38 119.27 3ipd h ARG 31 Ca -0.56 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.38 3ipd h ARG 31 Cb 1.92 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.98 3ipd h ARG 31 CO -0.07 0.29 -0.42 0.52 -1.07 0.00 0.00 179.97 179.23 3ipd h MET 32 N 0.00 0.24 -0.89 0.04 2.86 -1.23 -3.00 114.93 112.95 3ipd h MET 32 Ca -0.00 -0.29 0.19 0.00 -2.06 0.00 0.00 59.70 57.54 3ipd h MET 32 Cb 0.63 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 3ipd h MET 32 CO 0.04 1.03 0.58 1.25 1.06 0.00 0.00 176.91 180.88 3ipd h LEU 33 N -0.43 0.43 0.07 1.22 5.85 -1.52 -0.88 115.31 120.05 3ipd h LEU 33 Ca -0.06 0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.44 3ipd h LEU 33 Cb 1.20 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3ipd h LEU 33 CO 0.08 0.18 -1.30 -0.61 -0.34 0.00 0.00 178.44 176.45 3ipd h GLN 34 N 0.43 0.14 0.00 1.25 4.15 -1.54 -3.16 115.11 116.38 3ipd h GLN 34 Ca 0.46 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3ipd h GLN 34 Cb 1.10 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3ipd h GLN 34 CO -0.18 1.02 0.00 -0.07 -1.93 0.00 0.00 178.83 177.68 3ipd h LEU 35 N 0.04 0.00 0.00 -2.39 3.38 -1.03 -2.59 115.31 112.73 3ipd h LEU 35 Ca -0.14 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 3ipd h LEU 35 Cb 1.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 3ipd h LEU 35 CO 0.15 0.00 -0.93 0.58 0.09 0.00 0.00 178.44 178.33 3ipd h VAL 36 N 0.00 1.08 -0.99 1.22 2.07 -1.46 -3.10 116.25 115.07 3ipd h VAL 36 Ca 0.00 -2.17 0.07 0.00 0.82 0.00 0.00 66.70 65.42 3ipd h VAL 36 Cb 0.24 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3ipd h VAL 36 CO 0.00 0.37 0.64 -0.33 0.02 0.00 0.00 177.57 178.26 3ipd h GLU 37 N -1.00 1.11 0.00 1.57 5.08 -1.51 0.60 114.58 120.43 3ipd h GLU 37 Ca -0.25 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 3ipd h GLU 37 Cb 1.19 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3ipd h GLU 37 CO -0.15 0.74 -0.39 0.93 -1.00 0.00 0.00 179.01 179.13 3ipd h GLU 38 N 1.15 0.00 0.00 2.33 5.08 -1.63 0.37 114.58 121.88 3ipd h GLU 38 Ca 0.43 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.64 3ipd h GLU 38 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3ipd h GLU 38 CO -0.18 0.39 -0.71 0.77 -1.00 0.00 0.00 179.01 178.29 3ipd h SER 39 N 0.00 0.00 0.22 1.42 0.02 -0.93 0.10 113.55 114.39 3ipd h SER 39 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ipd h SER 39 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3ipd h SER 39 CO 0.05 0.71 -0.11 0.50 -1.14 0.00 0.00 176.83 176.84 3ipd h LYS 40 N 0.00 -0.29 -0.12 3.45 3.64 0.73 -2.68 116.57 121.30 3ipd h LYS 40 Ca -0.01 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ipd h LYS 40 Cb 1.39 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 3ipd h LYS 40 CO 0.09 0.06 0.08 -0.44 -2.27 0.00 0.00 179.45 176.97 3ipd h ASP 41 N -0.93 0.15 0.11 4.20 3.32 -0.35 0.39 116.42 123.30 3ipd h ASP 41 Ca -0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ipd h ASP 41 Cb 0.48 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ipd h ASP 41 CO 0.05 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 3ipd n ALA 42 N -2.15 1.75 -0.12 3.45 0.00 0.02 -1.87 120.51 121.60 3ipd n ALA 42 Ca -0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 3ipd n ALA 42 Cb 0.05 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3ipd n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipd n GLY 43 N -0.38 -0.44 0.20 0.00 0.00 0.08 -3.94 105.19 100.72 3ipd n GLY 43 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 3ipd n GLY 43 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ipd h ILE 44 N -0.42 0.86 -0.87 -0.61 2.04 0.41 -1.49 117.51 117.42 3ipd h ILE 44 Ca -0.60 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3ipd h ILE 44 Cb 1.77 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3ipd h ILE 44 CO -0.21 0.07 0.50 0.03 0.00 0.00 0.00 178.15 178.54 3ipd h ARG 45 N 0.39 1.20 -0.52 2.37 3.08 -1.63 0.92 114.38 120.18 3ipd h ARG 45 Ca 0.24 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3ipd h ARG 45 Cb 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3ipd h ARG 45 CO -0.23 0.86 0.35 1.15 -1.07 0.00 0.00 179.97 181.03 3ipd h THR 46 N 1.21 0.98 0.00 2.04 2.02 -1.43 -1.81 112.91 115.91 3ipd h THR 46 Ca 0.31 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3ipd h THR 46 Cb -0.01 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3ipd h THR 46 CO -0.05 0.08 -0.00 -0.07 0.37 0.00 0.00 175.52 175.85 3ipd h LEU 47 N 0.46 -0.00 -2.09 2.58 3.38 -0.19 -2.80 115.31 116.64 3ipd h LEU 47 Ca 0.23 -0.97 0.07 0.00 0.09 0.00 0.00 57.88 57.29 3ipd h LEU 47 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ipd h LEU 47 CO -0.06 0.97 0.19 1.62 0.09 0.00 0.00 178.44 181.25 3ipd h VAL 48 N -0.97 0.73 -0.01 1.22 3.04 -0.74 -1.20 116.25 118.32 3ipd h VAL 48 Ca -0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.55 3ipd h VAL 48 Cb 0.97 0.86 0.01 0.00 -2.01 0.00 0.00 31.29 31.12 3ipd h VAL 48 CO 0.00 0.00 -0.53 0.24 -1.01 0.00 0.00 177.57 176.27 3ipd h MET 49 N 0.00 0.38 -0.01 4.17 2.86 -1.41 -2.86 114.93 118.05 3ipd h MET 49 Ca 0.11 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3ipd h MET 49 Cb 0.49 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3ipd h MET 49 CO -0.00 1.07 0.11 -0.07 1.06 0.00 0.00 176.91 179.08 3ipd h LEU 50 N -0.15 0.00 0.01 1.22 3.38 -0.95 0.25 115.31 119.07 3ipd h LEU 50 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ipd h LEU 50 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ipd h LEU 50 CO 0.11 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 177.85 3ipd h ASP 51 N 0.00 -0.01 -0.30 -0.43 3.58 -1.38 -0.92 116.42 116.95 3ipd h ASP 51 Ca 0.01 -0.50 0.04 0.00 0.42 0.00 0.00 57.03 56.99 3ipd h ASP 51 Cb 0.23 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3ipd h ASP 51 CO -0.00 0.73 0.10 -0.33 -2.88 0.00 0.00 179.24 176.86 3ipd h GLU 52 N -0.99 0.22 -0.54 0.28 5.08 -1.14 0.13 114.58 117.62 3ipd h GLU 52 Ca -0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3ipd h GLU 52 Cb 0.51 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3ipd h GLU 52 CO 0.00 0.14 0.26 1.96 -1.00 0.00 0.00 179.01 180.38 3ipd h GLN 53 N 0.22 0.49 -0.70 2.33 4.20 -0.69 -2.12 115.11 118.86 3ipd h GLN 53 Ca 0.14 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.98 3ipd h GLN 53 Cb 0.12 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3ipd h GLN 53 CO -0.15 0.33 0.48 0.78 -0.67 0.00 0.00 178.83 179.60 3ipd h GLY 54 N 0.51 0.38 1.15 3.46 0.00 0.57 -1.14 103.07 108.00 3ipd h GLY 54 Ca 0.24 -0.09 -0.31 0.00 0.00 0.00 0.00 47.33 47.17 3ipd h GLY 54 CO -0.18 0.03 -1.36 0.83 0.00 0.00 0.00 176.54 175.86 3ipd h GLU 55 N 0.22 0.51 -0.65 4.80 5.08 -0.27 -3.28 114.58 120.98 3ipd h GLU 55 Ca 0.34 -0.86 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3ipd h GLU 55 Cb 1.02 0.32 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3ipd h GLU 55 CO -0.07 1.41 0.42 1.96 -1.00 0.00 0.00 179.01 181.73 3ipd h GLN 56 N 0.06 0.86 0.00 2.33 4.20 -0.66 -0.48 115.11 121.42 3ipd h GLN 56 Ca -0.24 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3ipd h GLN 56 Cb 2.07 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.66 3ipd h GLN 56 CO 0.25 0.58 0.00 1.28 -0.67 0.00 0.00 178.83 180.28 3ipd n LEU 57 N -4.43 0.61 -0.01 1.46 4.32 -0.53 -1.92 117.00 116.50 3ipd n LEU 57 Ca 0.07 0.65 -0.21 0.00 -0.02 0.00 0.00 56.01 56.49 3ipd n LEU 57 Cb 0.05 -0.56 -0.14 0.00 -1.62 0.00 0.00 43.42 41.15 3ipd n LEU 57 CO 0.36 -0.52 -0.82 0.47 -1.22 0.00 0.00 177.39 175.66 3ipd n ASP 58 N -2.17 2.10 -0.27 -1.43 8.00 -0.22 -2.36 116.55 120.19 3ipd n ASP 58 Ca 0.02 0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 3ipd n ASP 58 Cb 0.23 -0.85 0.10 0.00 -0.02 0.00 0.00 41.12 40.57 3ipd n ASP 58 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3ipd h ARG 59 N -0.03 0.89 -0.62 -1.24 3.08 -1.43 -2.04 114.38 112.99 3ipd h ARG 59 Ca -0.43 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3ipd h ARG 59 Cb 1.96 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.78 3ipd h ARG 59 CO 0.05 0.59 0.39 0.28 -1.07 0.00 0.00 179.97 180.21 3ipd h VAL 60 N 0.92 1.16 -0.16 2.04 2.07 -1.44 -0.81 116.25 120.03 3ipd h VAL 60 Ca 0.31 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 3ipd h VAL 60 Cb 0.06 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3ipd h VAL 60 CO -0.13 0.16 -0.52 -0.08 0.02 0.00 0.00 177.57 177.03 3ipd h GLU 61 N 0.84 0.63 -1.00 1.57 4.81 -1.16 -2.93 114.58 117.34 3ipd h GLU 61 Ca 0.22 -0.47 0.15 0.00 -0.13 0.00 0.00 59.36 59.13 3ipd h GLU 61 Cb -0.07 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 3ipd h GLU 61 CO -0.05 1.09 0.63 0.93 -0.73 0.00 0.00 179.01 180.88 3ipd h GLU 62 N 0.30 0.88 -0.72 1.92 5.08 -0.79 -1.44 114.58 119.81 3ipd h GLU 62 Ca -0.02 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3ipd h GLU 62 Cb 1.14 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 3ipd h GLU 62 CO 0.11 0.58 0.41 0.78 -1.00 0.00 0.00 179.01 179.89 3ipd h GLY 63 N 0.91 1.07 2.00 -3.84 0.00 -0.98 0.33 103.07 102.55 3ipd h GLY 63 Ca 0.53 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 3ipd h GLY 63 CO -0.31 0.17 -0.33 -0.33 0.00 0.00 0.00 176.54 175.74 3ipd h MET 64 N 0.74 0.00 0.19 4.80 2.86 -1.15 0.25 114.93 122.62 3ipd h MET 64 Ca 0.32 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.61 3ipd h MET 64 Cb 0.20 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 3ipd h MET 64 CO -0.19 0.33 -1.71 -0.91 1.06 0.00 0.00 176.91 175.49 3ipd h ASN 65 N 0.00 0.64 -0.71 1.22 2.35 -1.14 -1.38 115.58 116.57 3ipd h ASN 65 Ca -0.00 -0.91 0.04 0.00 -0.55 0.00 0.00 56.30 54.88 3ipd h ASN 65 Cb 0.88 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 3ipd h ASN 65 CO 0.04 1.76 0.43 -0.74 -1.65 0.00 0.00 177.43 177.27 3ipd h HIS 66 N 0.11 0.79 0.47 1.19 2.76 -0.20 -0.84 115.15 119.43 3ipd h HIS 66 Ca -0.33 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.84 3ipd h HIS 66 Cb 2.11 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.82 3ipd h HIS 66 CO 0.10 0.42 -0.23 0.82 -1.30 0.00 0.00 177.93 177.75 3ipd h ILE 67 N 0.81 0.37 0.00 6.26 2.04 -0.58 -2.41 117.51 123.99 3ipd h ILE 67 Ca 0.30 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ipd h ILE 67 Cb 0.10 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3ipd h ILE 67 CO -0.14 0.06 0.06 -1.13 0.00 0.00 0.00 178.15 177.00 3ipd h ASN 68 N -0.99 0.00 0.35 1.72 -1.24 -1.18 0.50 115.58 114.75 3ipd h ASN 68 Ca -0.06 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.62 3ipd h ASN 68 Cb 0.59 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 3ipd h ASN 68 CO 0.11 0.00 -1.69 -0.61 -1.29 0.00 0.00 177.43 173.94 3ipd h GLN 69 N 0.00 0.24 0.00 6.67 4.15 -1.06 -3.30 115.11 121.80 3ipd h GLN 69 Ca 0.00 -0.41 -0.03 0.00 0.77 0.00 0.00 58.65 58.98 3ipd h GLN 69 Cb 0.12 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 3ipd h GLN 69 CO 0.00 1.08 -0.13 -0.44 -1.93 0.00 0.00 178.83 177.41 3ipd h ASP 70 N 0.07 0.00 -0.03 -0.69 3.32 -0.46 -3.05 116.42 115.58 3ipd h ASP 70 Ca -0.30 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.58 3ipd h ASP 70 Cb 2.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.58 3ipd h ASP 70 CO 0.14 0.13 -0.56 0.24 -1.72 0.00 0.00 179.24 177.47 3ipd h MET 71 N 0.00 0.62 0.00 3.56 2.86 -1.23 -2.83 114.93 117.91 3ipd h MET 71 Ca -0.00 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.18 3ipd h MET 71 Cb 1.07 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3ipd h MET 71 CO 0.02 1.01 -0.32 0.87 1.06 0.00 0.00 176.91 179.55 3ipd h LYS 72 N 0.47 0.00 -0.47 1.72 1.57 -1.62 -1.89 116.57 116.36 3ipd h LYS 72 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3ipd h LYS 72 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3ipd h LYS 72 CO 0.11 0.32 -0.24 1.49 -0.57 0.00 0.00 179.45 180.56 3ipd h GLU 73 N 0.00 0.98 0.00 3.15 4.57 -1.40 -3.01 114.58 118.87 3ipd h GLU 73 Ca -0.00 -0.44 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 3ipd h GLU 73 Cb 0.66 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3ipd h GLU 73 CO 0.04 1.11 -0.03 0.00 -1.18 0.00 0.00 179.01 178.95 3ipd h ALA 74 N 0.85 0.98 0.00 2.92 0.00 -1.27 -3.05 119.26 119.70 3ipd h ALA 74 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ipd h ALA 74 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ipd h ALA 74 CO 0.07 0.04 0.00 -1.91 0.00 0.00 0.00 179.25 177.45 3ipd n GLU 75 N -3.11 0.45 -0.12 0.00 2.13 -0.73 -1.41 120.64 117.84 3ipd n GLU 75 Ca 0.03 0.06 -0.19 0.00 0.66 0.00 0.00 57.16 57.72 3ipd n GLU 75 Cb 0.51 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.61 3ipd n GLU 75 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3ipd n LYS 76 N -1.17 0.57 0.00 5.31 4.81 -1.15 -4.06 118.16 122.48 3ipd n LYS 76 Ca 0.12 0.16 0.10 0.00 -0.87 0.00 0.00 58.31 57.83 3ipd n LYS 76 Cb 0.12 -1.45 0.48 0.00 0.02 0.00 0.00 35.03 34.21 3ipd n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ipd n ASN 77 N -3.44 0.00 0.05 3.14 3.02 -1.06 -0.98 115.26 115.99 3ipd n ASN 77 Ca -0.44 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3ipd n ASN 77 Cb 0.92 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 3ipd n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3ipd h LEU 78 N 0.00 0.00 0.01 3.41 4.07 -1.45 -3.38 115.31 117.97 3ipd h LEU 78 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3ipd h LEU 78 Cb 0.30 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.04 3ipd h LEU 78 CO 0.00 0.56 -0.30 0.50 -1.08 0.00 0.00 178.44 178.13 3ipd h LYS 79 N 0.00 0.18 0.00 1.13 3.64 -1.20 -3.18 116.57 117.13 3ipd h LYS 79 Ca -0.13 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3ipd h LYS 79 Cb 1.54 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3ipd h LYS 79 CO 0.05 0.97 0.08 -0.44 -2.27 0.00 0.00 179.45 177.85 3ipd h ASP 80 N -0.53 0.00 -2.69 4.20 3.32 -1.52 -3.09 116.42 116.11 3ipd h ASP 80 Ca -0.04 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.33 3ipd h ASP 80 Cb 1.09 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.27 3ipd h ASP 80 CO 0.06 0.00 -0.12 0.18 -1.72 0.00 0.00 179.24 177.64 3ipd n LEU 81 N -2.48 4.51 0.00 1.55 4.32 -1.20 -5.12 117.00 118.58 3ipd n LEU 81 Ca -0.02 -5.30 0.00 0.00 -0.02 0.00 0.00 56.01 50.67 3ipd n LEU 81 Cb 0.12 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 3ipd n LEU 81 CO 0.12 1.83 0.00 0.61 -1.22 0.00 0.00 177.39 178.73