#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 4.38 0.07 0.55 5.15 -1.26 -4.53 115.26 119.63 3ipd n ASN 9 Ca 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.05 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 -1.51 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 2.10 -0.03 -4.62 4.77 -1.26 -3.93 117.00 111.30 3ipd n LEU 11 Ca -0.04 -0.89 -0.01 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 0.44 -0.73 1.21 -1.33 0.00 0.00 177.39 177.40 3ipd n GLU 12 N 0.61 1.56 -0.34 3.23 2.13 -1.24 -4.42 120.64 122.17 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 0.39 -1.24 0.21 0.00 0.27 0.00 0.00 31.44 31.06 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 -2.15 2.49 -0.00 5.31 1.02 -1.22 -3.45 120.64 122.63 3ipd n GLU 13 Ca -0.10 -1.63 0.01 0.00 -0.02 0.00 0.00 57.16 55.41 3ipd n GLU 13 Cb 0.58 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.58 4.67 0.00 3.49 1.56 -1.26 -4.37 117.12 121.80 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 0.53 -0.69 -0.03 0.00 2.15 0.00 0.00 33.22 35.18 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 -1.18 1.62 0.07 2.12 6.02 -1.24 -3.46 117.38 121.33 3ipd n GLN 15 Ca 0.00 -0.54 -0.17 0.00 -0.01 0.00 0.00 57.00 56.28 3ipd n GLN 15 Cb 0.02 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 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 1.22 0.27 0.00 -1.09 3.08 -1.79 -2.60 114.38 113.47 3ipd h ARG 16 Ca 0.00 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 3ipd h ARG 16 Cb 0.51 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3ipd h ARG 16 CO 0.00 1.15 -0.44 0.00 -1.07 0.00 0.00 179.97 179.61 3ipd h ARG 17 N 0.07 0.00 -0.16 0.04 2.47 -1.76 -0.14 114.38 114.90 3ipd h ARG 17 Ca -0.24 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.27 3ipd h ARG 17 Cb 2.02 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.35 3ipd h ARG 17 CO 0.17 0.44 -0.75 0.00 0.56 0.00 0.00 179.97 180.39 3ipd h ALA 18 N 1.56 0.35 -0.09 0.04 0.00 -1.64 -1.59 119.26 117.89 3ipd h ALA 18 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ipd h ALA 18 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ipd h ALA 18 CO 0.06 0.69 0.00 -3.47 0.00 0.00 0.00 179.25 176.53 3ipd n ASP 19 N -3.94 1.48 -0.02 0.00 2.03 -0.98 -3.55 116.55 111.58 3ipd n ASP 19 Ca -0.07 -1.58 -0.09 0.00 0.52 0.00 0.00 54.79 53.57 3ipd n ASP 19 Cb 0.73 -0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 40.94 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 2.13 0.01 -0.00 -0.67 4.15 -0.63 -3.33 115.11 116.77 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 0.46 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3ipd h GLN 20 CO 0.00 0.54 -0.12 1.28 -1.93 0.00 0.00 178.83 178.60 3ipd n LEU 21 N -3.07 0.17 -0.28 -2.39 4.77 -0.63 -2.92 117.00 112.65 3ipd n LEU 21 Ca -0.17 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 3ipd n LEU 21 Cb 1.05 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 42.02 3ipd n LEU 21 CO 0.45 0.04 0.53 0.00 -1.33 0.00 0.00 177.39 177.07 3ipd n ALA 22 N -1.39 3.30 -0.03 -1.18 0.00 -1.24 -2.27 120.51 117.69 3ipd n ALA 22 Ca 0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.02 3ipd n ALA 22 Cb 0.32 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.60 0.44 0.05 0.00 8.00 -1.15 -2.95 116.55 120.35 3ipd n ASP 23 Ca 0.11 0.20 0.07 0.00 0.71 0.00 0.00 54.79 55.88 3ipd n ASP 23 Cb 0.38 0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 42.05 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 -2.80 0.63 0.14 -1.24 1.02 -1.21 -1.61 120.64 115.56 3ipd n GLU 24 Ca -0.19 0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3ipd n GLU 24 Cb 0.97 -1.74 0.05 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.62 -1.90 113.55 112.11 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 63.70 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 -0.18 5.07 7.12 -1.62 -3.01 115.31 122.76 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 1.12 -0.95 -0.08 -0.13 0.00 0.00 178.44 178.41 3ipd h GLU 27 N 0.01 0.21 0.00 1.25 4.57 -1.37 -3.21 114.58 116.04 3ipd h GLU 27 Ca -0.30 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 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 1.01 -0.24 0.66 -1.18 0.00 0.00 179.01 179.34 3ipd h SER 28 N 0.10 0.00 0.90 1.04 4.64 -1.48 -2.28 113.55 116.47 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 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 3ipd h SER 28 CO 0.15 0.09 0.00 1.07 -0.87 0.00 0.00 176.83 177.27 3ipd n THR 29 N -3.06 0.56 -0.12 2.95 5.66 -1.14 -0.92 114.28 118.22 3ipd n THR 29 Ca 0.03 0.06 -0.19 0.00 -3.05 0.00 0.00 64.05 60.90 3ipd n THR 29 Cb 0.57 -0.78 -0.12 0.00 -1.55 0.00 0.00 70.33 68.45 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 -1.79 0.66 0.22 1.09 1.74 -1.15 -3.37 116.66 114.05 3ipd n ARG 30 Ca 0.05 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.37 3ipd n ARG 30 Cb 0.29 -1.54 0.49 0.00 -1.02 0.00 0.00 32.46 30.68 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 0.04 5.56 3.08 -1.31 -2.49 114.38 119.25 3ipd h ARG 31 Ca -0.56 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.38 3ipd h ARG 31 Cb 1.91 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.97 3ipd h ARG 31 CO -0.08 0.27 -0.44 0.52 -1.07 0.00 0.00 179.97 179.17 3ipd h MET 32 N 0.00 0.23 -0.91 0.04 2.86 -1.22 -3.03 114.93 112.90 3ipd h MET 32 Ca -0.00 -0.30 0.20 0.00 -2.06 0.00 0.00 59.70 57.54 3ipd h MET 32 Cb 0.60 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.29 3ipd h MET 32 CO 0.03 1.06 0.60 1.25 1.06 0.00 0.00 176.91 180.91 3ipd h LEU 33 N -0.45 0.42 0.08 1.22 5.85 -1.51 -1.12 115.31 119.79 3ipd h LEU 33 Ca -0.07 0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.43 3ipd h LEU 33 Cb 1.25 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3ipd h LEU 33 CO 0.09 0.17 -1.31 -0.61 -0.34 0.00 0.00 178.44 176.43 3ipd h GLN 34 N 0.42 0.16 0.00 1.25 4.15 -1.55 -3.15 115.11 116.39 3ipd h GLN 34 Ca 0.48 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3ipd h GLN 34 Cb 1.17 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.96 3ipd h GLN 34 CO -0.19 1.05 0.00 -0.07 -1.93 0.00 0.00 178.83 177.70 3ipd h LEU 35 N 0.04 0.00 0.00 -2.39 3.38 -1.09 -2.53 115.31 112.73 3ipd h LEU 35 Ca -0.15 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 3ipd h LEU 35 Cb 1.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 3ipd h LEU 35 CO 0.16 0.00 -0.98 0.58 0.09 0.00 0.00 178.44 178.29 3ipd h VAL 36 N 0.00 1.03 -0.96 1.22 2.07 -1.47 -3.09 116.25 115.05 3ipd h VAL 36 Ca 0.00 -2.15 0.07 0.00 0.82 0.00 0.00 66.70 65.44 3ipd h VAL 36 Cb 0.23 2.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3ipd h VAL 36 CO 0.00 0.35 0.61 -0.33 0.02 0.00 0.00 177.57 178.22 3ipd h GLU 37 N -1.00 1.07 0.00 1.57 5.08 -1.50 0.61 114.58 120.40 3ipd h GLU 37 Ca -0.27 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3ipd h GLU 37 Cb 1.20 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3ipd h GLU 37 CO -0.16 0.71 -0.39 0.93 -1.00 0.00 0.00 179.01 179.09 3ipd h GLU 38 N 1.10 0.00 0.00 2.33 5.08 -1.62 0.39 114.58 121.86 3ipd h GLU 38 Ca 0.43 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.64 3ipd h GLU 38 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3ipd h GLU 38 CO -0.19 0.39 -0.68 0.77 -1.00 0.00 0.00 179.01 178.31 3ipd h SER 39 N 0.00 0.00 0.20 1.42 0.02 -0.90 0.20 113.55 114.48 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 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3ipd h SER 39 CO 0.05 0.68 -0.10 0.50 -1.14 0.00 0.00 176.83 176.83 3ipd h LYS 40 N 0.00 -0.26 -0.08 3.45 3.64 0.82 -2.76 116.57 121.38 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 1.37 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3ipd h LYS 40 CO 0.09 0.11 0.05 -0.44 -2.27 0.00 0.00 179.45 176.99 3ipd h ASP 41 N -0.92 0.10 0.08 4.20 3.32 -0.32 0.39 116.42 123.27 3ipd h ASP 41 Ca -0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ipd h ASP 41 Cb 0.49 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3ipd h ASP 41 CO 0.05 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 3ipd n ALA 42 N -2.14 1.76 -0.13 3.45 0.00 0.06 -1.82 120.51 121.68 3ipd n ALA 42 Ca -0.06 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 3ipd n ALA 42 Cb 0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.42 -0.41 0.18 0.00 0.00 0.03 -3.95 105.19 100.64 3ipd n GLY 43 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 0.85 -0.89 -0.61 2.04 0.46 -1.49 117.51 117.46 3ipd h ILE 44 Ca -0.62 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3ipd h ILE 44 Cb 1.79 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 3ipd h ILE 44 CO -0.22 0.06 0.56 0.03 0.00 0.00 0.00 178.15 178.57 3ipd h ARG 45 N 0.31 1.19 -0.43 2.37 3.08 -1.63 0.94 114.38 120.22 3ipd h ARG 45 Ca 0.21 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3ipd h ARG 45 Cb 0.21 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3ipd h ARG 45 CO -0.22 0.81 0.29 1.15 -1.07 0.00 0.00 179.97 180.93 3ipd h THR 46 N 1.21 1.01 0.00 2.04 2.02 -1.43 -1.70 112.91 116.06 3ipd h THR 46 Ca 0.32 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3ipd h THR 46 Cb -0.09 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3ipd h THR 46 CO -0.06 0.08 -0.00 -0.07 0.37 0.00 0.00 175.52 175.83 3ipd h LEU 47 N 0.42 -0.00 -2.09 2.58 3.38 -0.11 -2.82 115.31 116.67 3ipd h LEU 47 Ca 0.18 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.28 3ipd h LEU 47 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ipd h LEU 47 CO -0.04 0.94 0.18 1.62 0.09 0.00 0.00 178.44 181.23 3ipd h VAL 48 N -0.95 0.74 -0.00 1.22 3.04 -0.72 -0.97 116.25 118.61 3ipd h VAL 48 Ca -0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.53 3ipd h VAL 48 Cb 0.94 0.87 0.01 0.00 -2.01 0.00 0.00 31.29 31.10 3ipd h VAL 48 CO 0.00 0.00 -0.62 0.24 -1.01 0.00 0.00 177.57 176.18 3ipd h MET 49 N 0.00 0.43 -0.01 4.17 2.86 -1.39 -2.88 114.93 118.11 3ipd h MET 49 Ca 0.11 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 3ipd h MET 49 Cb 0.47 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3ipd h MET 49 CO -0.00 1.11 0.08 -0.07 1.06 0.00 0.00 176.91 179.09 3ipd h LEU 50 N -0.08 0.00 0.00 1.22 3.38 -0.92 0.26 115.31 119.18 3ipd h LEU 50 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ipd h LEU 50 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3ipd h LEU 50 CO 0.12 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 177.87 3ipd h ASP 51 N 0.00 0.00 -0.23 -0.43 3.58 -1.38 -1.10 116.42 116.86 3ipd h ASP 51 Ca 0.00 -0.58 0.03 0.00 0.42 0.00 0.00 57.03 56.90 3ipd h ASP 51 Cb 0.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3ipd h ASP 51 CO -0.00 0.79 0.05 -0.33 -2.88 0.00 0.00 179.24 176.88 3ipd h GLU 52 N -1.00 0.14 -0.57 0.28 5.08 -1.15 0.13 114.58 117.50 3ipd h GLU 52 Ca -0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3ipd h GLU 52 Cb 0.59 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 3ipd h GLU 52 CO -0.00 0.10 0.26 1.96 -1.00 0.00 0.00 179.01 180.33 3ipd h GLN 53 N 0.15 0.48 -0.70 2.33 4.20 -0.66 -2.15 115.11 118.75 3ipd h GLN 53 Ca 0.11 -0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.95 3ipd h GLN 53 Cb 0.10 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3ipd h GLN 53 CO -0.13 0.32 0.48 0.78 -0.67 0.00 0.00 178.83 179.60 3ipd h GLY 54 N 0.49 0.42 1.16 3.46 0.00 0.45 -1.11 103.07 107.94 3ipd h GLY 54 Ca 0.26 -0.10 -0.31 0.00 0.00 0.00 0.00 47.33 47.18 3ipd h GLY 54 CO -0.21 0.03 -1.33 0.83 0.00 0.00 0.00 176.54 175.85 3ipd h GLU 55 N 0.24 0.52 -0.63 4.80 5.08 -0.28 -3.29 114.58 121.02 3ipd h GLU 55 Ca 0.34 -0.85 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3ipd h GLU 55 Cb 0.99 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3ipd h GLU 55 CO -0.07 1.40 0.38 1.96 -1.00 0.00 0.00 179.01 181.68 3ipd h GLN 56 N 0.09 0.85 0.00 2.33 4.20 -0.65 -0.30 115.11 121.63 3ipd h GLN 56 Ca -0.23 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3ipd h GLN 56 Cb 2.04 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.64 3ipd h GLN 56 CO 0.25 0.59 0.00 1.28 -0.67 0.00 0.00 178.83 180.28 3ipd n LEU 57 N -4.41 0.53 -0.01 1.46 4.32 -0.53 -1.90 117.00 116.46 3ipd n LEU 57 Ca 0.06 0.63 -0.21 0.00 -0.02 0.00 0.00 56.01 56.46 3ipd n LEU 57 Cb 0.07 -0.55 -0.14 0.00 -1.62 0.00 0.00 43.42 41.19 3ipd n LEU 57 CO 0.37 -0.47 -0.83 0.47 -1.22 0.00 0.00 177.39 175.71 3ipd n ASP 58 N -2.08 2.10 -0.28 -1.43 8.00 -0.16 -2.40 116.55 120.30 3ipd n ASP 58 Ca 0.03 0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.71 3ipd n ASP 58 Cb 0.23 -0.85 0.10 0.00 -0.02 0.00 0.00 41.12 40.58 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 -0.01 0.93 -0.60 -1.24 3.08 -1.41 -2.07 114.38 113.07 3ipd h ARG 59 Ca -0.43 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 3ipd h ARG 59 Cb 1.98 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.79 3ipd h ARG 59 CO 0.06 0.62 0.37 0.28 -1.07 0.00 0.00 179.97 180.22 3ipd h VAL 60 N 0.96 1.16 -0.16 2.04 2.07 -1.43 -0.80 116.25 120.09 3ipd h VAL 60 Ca 0.32 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 3ipd h VAL 60 Cb 0.03 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3ipd h VAL 60 CO -0.12 0.17 -0.47 -0.08 0.02 0.00 0.00 177.57 177.09 3ipd h GLU 61 N 0.82 0.59 -0.99 1.57 4.81 -1.16 -2.84 114.58 117.38 3ipd h GLU 61 Ca 0.22 -0.43 0.15 0.00 -0.13 0.00 0.00 59.36 59.17 3ipd h GLU 61 Cb -0.05 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 3ipd h GLU 61 CO -0.04 1.05 0.62 0.93 -0.73 0.00 0.00 179.01 180.83 3ipd h GLU 62 N 0.25 0.82 -0.68 1.92 5.08 -0.78 -1.27 114.58 119.92 3ipd h GLU 62 Ca -0.01 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3ipd h GLU 62 Cb 1.09 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 3ipd h GLU 62 CO 0.10 0.55 0.39 0.78 -1.00 0.00 0.00 179.01 179.83 3ipd h GLY 63 N 0.85 1.00 2.00 -3.84 0.00 -0.93 0.32 103.07 102.47 3ipd h GLY 63 Ca 0.52 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3ipd h GLY 63 CO -0.30 0.18 -0.36 -0.33 0.00 0.00 0.00 176.54 175.74 3ipd h MET 64 N 0.73 0.00 0.21 4.80 2.86 -1.09 0.27 114.93 122.70 3ipd h MET 64 Ca 0.30 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.59 3ipd h MET 64 Cb 0.16 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.84 3ipd h MET 64 CO -0.17 0.36 -1.68 -0.91 1.06 0.00 0.00 176.91 175.57 3ipd h ASN 65 N 0.00 0.68 -0.76 1.22 2.35 -1.10 -1.12 115.58 116.84 3ipd h ASN 65 Ca -0.00 -0.94 0.04 0.00 -0.55 0.00 0.00 56.30 54.85 3ipd h ASN 65 Cb 0.85 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.95 3ipd h ASN 65 CO 0.05 1.77 0.47 -0.74 -1.65 0.00 0.00 177.43 177.33 3ipd h HIS 66 N 0.11 0.88 0.39 1.19 2.76 -0.23 -0.72 115.15 119.54 3ipd h HIS 66 Ca -0.32 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.85 3ipd h HIS 66 Cb 2.12 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.80 3ipd h HIS 66 CO 0.11 0.48 -0.19 0.82 -1.30 0.00 0.00 177.93 177.85 3ipd h ILE 67 N 0.90 0.48 0.00 6.26 2.04 -0.53 -2.45 117.51 124.22 3ipd h ILE 67 Ca 0.32 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3ipd h ILE 67 Cb 0.08 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ipd h ILE 67 CO -0.14 0.09 0.03 -1.13 0.00 0.00 0.00 178.15 177.00 3ipd h ASN 68 N -0.92 0.00 0.37 1.72 -1.24 -1.10 0.53 115.58 114.94 3ipd h ASN 68 Ca -0.05 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.64 3ipd h ASN 68 Cb 0.55 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 3ipd h ASN 68 CO 0.09 0.00 -1.66 -0.61 -1.29 0.00 0.00 177.43 173.96 3ipd h GLN 69 N 0.00 0.24 0.00 6.67 4.15 -1.03 -3.30 115.11 121.84 3ipd h GLN 69 Ca 0.00 -0.41 -0.04 0.00 0.77 0.00 0.00 58.65 58.97 3ipd h GLN 69 Cb 0.06 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3ipd h GLN 69 CO 0.00 1.08 -0.17 -0.44 -1.93 0.00 0.00 178.83 177.37 3ipd h ASP 70 N 0.07 0.00 -0.03 -0.69 3.32 -0.48 -3.05 116.42 115.56 3ipd h ASP 70 Ca -0.29 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.60 3ipd h ASP 70 Cb 2.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.57 3ipd h ASP 70 CO 0.14 0.17 -0.53 0.24 -1.72 0.00 0.00 179.24 177.54 3ipd h MET 71 N 0.00 0.61 0.00 3.56 2.86 -1.24 -2.81 114.93 117.91 3ipd h MET 71 Ca -0.00 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.20 3ipd h MET 71 Cb 1.10 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3ipd h MET 71 CO 0.02 0.98 -0.31 0.87 1.06 0.00 0.00 176.91 179.53 3ipd h LYS 72 N 0.47 0.00 -0.47 1.72 1.57 -1.62 -1.89 116.57 116.34 3ipd h LYS 72 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3ipd h LYS 72 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3ipd h LYS 72 CO 0.10 0.31 -0.24 1.49 -0.57 0.00 0.00 179.45 180.54 3ipd h GLU 73 N 0.00 0.99 0.00 3.15 4.57 -1.40 -2.98 114.58 118.91 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 29.22 3ipd h GLU 73 CO 0.04 1.11 -0.03 0.00 -1.18 0.00 0.00 179.01 178.96 3ipd h ALA 74 N 0.86 0.98 0.00 2.92 0.00 -1.26 -3.06 119.26 119.71 3ipd h ALA 74 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ipd h ALA 74 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ipd h ALA 74 CO 0.07 0.03 0.00 -1.91 0.00 0.00 0.00 179.25 177.45 3ipd n GLU 75 N -3.11 0.46 -0.12 0.00 2.13 -0.74 -1.43 120.64 117.84 3ipd n GLU 75 Ca 0.03 0.05 -0.20 0.00 0.66 0.00 0.00 57.16 57.71 3ipd n GLU 75 Cb 0.51 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.62 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 -1.15 0.58 0.00 5.31 4.81 -1.16 -4.06 118.16 122.49 3ipd n LYS 76 Ca 0.12 0.17 0.10 0.00 -0.87 0.00 0.00 58.31 57.83 3ipd n LYS 76 Cb 0.12 -1.45 0.47 0.00 0.02 0.00 0.00 35.03 34.18 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 -3.47 0.00 0.05 3.14 3.02 -1.05 -0.86 115.26 116.09 3ipd n ASN 77 Ca -0.44 0.33 -0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3ipd n ASN 77 Cb 0.92 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.02 3.41 4.07 -1.46 -3.38 115.31 117.97 3ipd h LEU 78 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 3ipd h LEU 78 Cb 0.30 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.05 3ipd h LEU 78 CO 0.00 0.60 -0.35 0.50 -1.08 0.00 0.00 178.44 178.11 3ipd h LYS 79 N 0.00 0.21 0.00 1.13 3.64 -1.14 -3.16 116.57 117.24 3ipd h LYS 79 Ca -0.13 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3ipd h LYS 79 Cb 1.58 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 3ipd h LYS 79 CO 0.06 1.00 0.06 -0.44 -2.27 0.00 0.00 179.45 177.86 3ipd h ASP 80 N -0.48 0.00 -2.73 4.20 3.32 -1.49 -3.08 116.42 116.16 3ipd h ASP 80 Ca -0.05 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.32 3ipd h ASP 80 Cb 1.14 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.32 3ipd h ASP 80 CO 0.07 0.00 -0.12 0.18 -1.72 0.00 0.00 179.24 177.64 3ipd n LEU 81 N -2.49 4.48 0.00 1.55 4.32 -1.19 -5.12 117.00 118.54 3ipd n LEU 81 Ca -0.02 -5.29 0.00 0.00 -0.02 0.00 0.00 56.01 50.68 3ipd n LEU 81 Cb 0.11 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 40.97 3ipd n LEU 81 CO 0.12 1.82 0.00 0.61 -1.22 0.00 0.00 177.39 178.72