#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p78 s ASN 2 N 0.00 3.48 0.17 6.12 2.20 -1.26 -4.97 114.94 120.67 1p78 s ASN 2 Ca 0.00 -1.41 -0.25 0.00 -0.94 0.00 0.00 52.86 50.26 1p78 s ASN 2 Cb 0.00 -0.21 0.05 0.00 -2.00 0.00 0.00 41.25 39.09 1p78 s ASN 2 CO 0.00 -0.54 1.57 0.50 -2.94 0.00 0.00 177.10 175.69 1p78 h LYS 3 N 1.82 -0.23 -0.56 3.55 3.64 -2.04 0.61 116.57 123.36 1p78 h LYS 3 Ca -0.43 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.07 1p78 h LYS 3 Cb 1.25 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.04 1p78 h LYS 3 CO 0.77 -0.15 0.14 0.78 -2.27 0.00 0.00 179.45 178.71 1p78 h GLY 4 N -0.24 0.73 1.17 5.01 0.00 -1.97 1.37 103.07 109.13 1p78 h GLY 4 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 1p78 h GLY 4 CO -0.65 -0.08 -0.18 0.83 0.00 0.00 0.00 176.54 176.46 1p78 h GLU 5 N 0.28 0.95 -0.54 4.80 5.08 -1.54 0.26 114.58 123.87 1p78 h GLU 5 Ca 0.29 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1p78 h GLU 5 Cb 0.40 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1p78 h GLU 5 CO -0.36 1.05 0.29 1.25 -1.00 0.00 0.00 179.01 180.24 1p78 h LEU 6 N 0.83 0.68 0.14 1.33 5.85 0.94 -1.43 115.31 123.65 1p78 h LEU 6 Ca 0.12 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1p78 h LEU 6 Cb 0.74 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1p78 h LEU 6 CO 0.06 0.59 -0.22 0.58 -0.34 0.00 0.00 178.44 179.11 1p78 h VAL 7 N 0.73 0.52 -0.37 1.05 2.07 0.25 0.15 116.25 120.66 1p78 h VAL 7 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1p78 h VAL 7 Cb 0.06 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1p78 h VAL 7 CO -0.03 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.00 1p78 h ASP 8 N -0.42 -0.15 -0.60 0.57 5.19 -0.30 0.60 116.42 121.31 1p78 h ASP 8 Ca 0.02 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 1p78 h ASP 8 Cb 0.43 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 1p78 h ASP 8 CO -0.10 -0.04 0.15 0.00 -3.12 0.00 0.00 179.24 176.14 1p78 h ALA 9 N 1.32 1.08 -0.24 3.45 0.00 -1.10 -3.12 119.26 120.66 1p78 h ALA 9 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1p78 h ALA 9 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p78 h ALA 9 CO -0.30 0.61 -0.21 0.28 0.00 0.00 0.00 179.25 179.63 1p78 h VAL 10 N 0.94 1.32 -1.01 0.00 2.07 0.18 -3.09 116.25 116.66 1p78 h VAL 10 Ca 0.20 -1.37 0.24 0.00 0.82 0.00 0.00 66.70 66.59 1p78 h VAL 10 Cb 0.33 1.67 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 1p78 h VAL 10 CO -0.00 0.43 0.62 0.00 0.02 0.00 0.00 177.57 178.64 1p78 h ALA 11 N 0.68 1.93 0.20 1.67 0.00 -0.85 -2.78 119.26 120.10 1p78 h ALA 11 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p78 h ALA 11 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1p78 h ALA 11 CO 0.05 -0.35 -0.10 0.93 0.00 0.00 0.00 179.25 179.79 1p78 h GLU 12 N 0.55 -0.26 -0.70 0.00 5.08 -1.59 0.20 114.58 117.86 1p78 h GLU 12 Ca 0.61 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 59.12 1p78 h GLU 12 Cb 1.24 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 1p78 h GLU 12 CO -0.38 0.04 0.21 0.87 -1.00 0.00 0.00 179.01 178.74 1p78 h LYS 13 N -0.99 0.32 0.00 2.33 1.57 -1.41 -2.34 116.57 116.05 1p78 h LYS 13 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1p78 h LYS 13 Cb 0.41 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1p78 h LYS 13 CO 0.05 0.21 -0.87 0.00 -0.57 0.00 0.00 179.45 178.27 1p78 n ALA 14 N -2.59 3.91 -2.12 3.86 0.00 -1.14 -5.02 120.51 117.41 1p78 n ALA 14 Ca 0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 1p78 n ALA 14 Cb 0.40 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1p78 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p78 n SER 15 N -1.66 -4.33 -0.55 0.00 7.64 -0.88 -5.12 113.62 108.72 1p78 n SER 15 Ca 0.04 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1p78 n SER 15 Cb 0.37 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 1p78 n SER 15 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1p78 n VAL 16 N -1.24 0.00 -3.28 0.44 0.24 0.68 -5.04 118.33 110.13 1p78 n VAL 16 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 1p78 n VAL 16 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1p78 n VAL 16 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p78 s THR 17 N -1.13 4.10 0.13 3.34 2.01 -1.26 -4.66 115.64 118.18 1p78 s THR 17 Ca 0.00 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 1p78 s THR 17 Cb 0.00 -3.46 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 1p78 s THR 17 CO 0.00 -0.24 1.38 0.11 -0.69 0.00 0.00 174.62 175.18 1p78 h LYS 18 N 0.69 0.78 -0.27 4.92 1.57 -1.94 0.22 116.57 122.54 1p78 h LYS 18 Ca -0.46 -0.56 -0.11 0.00 -1.87 0.00 0.00 60.65 57.65 1p78 h LYS 18 Cb 1.25 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1p78 h LYS 18 CO 0.55 1.18 -0.30 -0.22 -0.57 0.00 0.00 179.45 180.09 1p78 h LYS 19 N 0.57 0.54 0.00 3.15 3.64 -1.99 -2.82 116.57 119.66 1p78 h LYS 19 Ca -0.02 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1p78 h LYS 19 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1p78 h LYS 19 CO 0.14 0.78 0.00 0.94 -2.27 0.00 0.00 179.45 179.04 1p78 n GLN 20 N -4.09 0.00 -0.31 1.90 7.27 -1.16 -2.56 117.38 118.44 1p78 n GLN 20 Ca -0.01 0.42 0.11 0.00 0.07 0.00 0.00 57.00 57.59 1p78 n GLN 20 Cb 0.45 -1.25 0.23 0.00 2.41 0.00 0.00 30.24 32.08 1p78 n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1p78 h ALA 21 N -2.00 1.01 0.18 1.69 0.00 -0.69 0.62 119.26 120.08 1p78 h ALA 21 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1p78 h ALA 21 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1p78 h ALA 21 CO 0.00 -0.50 -0.41 0.22 0.00 0.00 0.00 179.25 178.56 1p78 h ASP 22 N 0.06 -1.20 -0.96 0.00 1.82 -1.61 0.25 116.42 114.78 1p78 h ASP 22 Ca 0.52 0.13 0.17 0.00 -0.39 0.00 0.00 57.03 57.46 1p78 h ASP 22 Cb 1.01 0.44 -0.09 0.00 0.68 0.00 0.00 39.33 41.38 1p78 h ASP 22 CO -0.81 -0.50 0.61 0.00 -1.61 0.00 0.00 179.24 176.92 1p78 h ALA 23 N -0.23 1.82 0.56 -0.78 0.00 -0.64 0.22 119.26 120.21 1p78 h ALA 23 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1p78 h ALA 23 Cb 0.69 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1p78 h ALA 23 CO -0.21 -0.13 -0.27 0.28 0.00 0.00 0.00 179.25 178.93 1p78 h VAL 24 N 0.69 0.20 -0.80 0.00 2.07 -0.59 -1.63 116.25 116.20 1p78 h VAL 24 Ca 0.51 -0.43 0.14 0.00 0.82 0.00 0.00 66.70 67.75 1p78 h VAL 24 Cb 0.88 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1p78 h VAL 24 CO -0.27 0.03 0.37 0.25 0.02 0.00 0.00 177.57 177.97 1p78 h LEU 25 N -1.10 0.42 0.42 2.57 5.85 0.06 -1.48 115.31 122.04 1p78 h LEU 25 Ca -0.08 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1p78 h LEU 25 Cb 0.63 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1p78 h LEU 25 CO 0.13 0.17 -0.40 0.74 -0.34 0.00 0.00 178.44 178.74 1p78 h THR 26 N 0.54 0.19 -0.82 1.05 2.02 -0.61 -1.55 112.91 113.73 1p78 h THR 26 Ca 0.43 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.73 1p78 h THR 26 Cb 0.62 0.19 -0.13 0.00 -1.74 0.00 0.00 68.15 67.08 1p78 h THR 26 CO -0.37 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.10 1p78 h ALA 27 N -0.47 -0.11 -0.85 6.16 0.00 -0.31 0.14 119.26 123.82 1p78 h ALA 27 Ca -0.04 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1p78 h ALA 27 Cb 0.74 1.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 1p78 h ALA 27 CO -0.06 -0.74 0.55 0.00 0.00 0.00 0.00 179.25 179.01 1p78 h ALA 28 N 0.99 1.59 -0.06 0.00 0.00 -1.04 -0.79 119.26 119.95 1p78 h ALA 28 Ca 0.26 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 1p78 h ALA 28 Cb 0.55 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1p78 h ALA 28 CO -0.85 0.27 -0.87 -0.07 0.00 0.00 0.00 179.25 177.73 1p78 h LEU 29 N 0.92 0.73 -0.40 0.00 3.38 0.24 -0.60 115.31 119.58 1p78 h LEU 29 Ca 0.37 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1p78 h LEU 29 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p78 h LEU 29 CO -0.14 1.32 -0.09 -0.33 0.09 0.00 0.00 178.44 179.29 1p78 h GLU 30 N 0.37 0.77 -0.28 1.13 5.08 -0.89 -2.37 114.58 118.40 1p78 h GLU 30 Ca -0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1p78 h GLU 30 Cb 1.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1p78 h GLU 30 CO 0.16 0.90 0.05 1.15 -1.00 0.00 0.00 179.01 180.28 1p78 h THR 31 N 0.58 1.23 -0.09 1.13 2.02 -1.07 0.59 112.91 117.29 1p78 h THR 31 Ca 0.10 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.56 1p78 h THR 31 Cb 0.61 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 1p78 h THR 31 CO 0.04 0.25 -0.19 0.40 0.37 0.00 0.00 175.52 176.38 1p78 h ILE 32 N 0.28 0.52 -0.09 3.11 2.04 -1.08 0.26 117.51 122.56 1p78 h ILE 32 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1p78 h ILE 32 Cb 0.32 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1p78 h ILE 32 CO 0.00 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.50 1p78 h ILE 33 N -0.26 0.83 -0.75 -0.67 2.04 -1.30 -0.86 117.51 116.53 1p78 h ILE 33 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1p78 h ILE 33 Cb 0.39 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1p78 h ILE 33 CO -0.24 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 178.00 1p78 h GLU 34 N -0.05 0.73 0.18 2.37 4.39 -0.50 -0.68 114.58 121.01 1p78 h GLU 34 Ca 0.05 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1p78 h GLU 34 Cb 0.13 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1p78 h GLU 34 CO -0.12 0.48 -0.09 0.00 -1.16 0.00 0.00 179.01 178.12 1p78 h ALA 35 N 1.40 -0.25 -0.40 3.43 0.00 -0.02 -2.36 119.26 121.07 1p78 h ALA 35 Ca 0.35 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1p78 h ALA 35 Cb 0.27 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1p78 h ALA 35 CO -0.22 -0.49 0.13 0.28 0.00 0.00 0.00 179.25 178.96 1p78 h VAL 36 N -0.55 0.87 -0.30 0.00 2.07 -0.92 0.31 116.25 117.73 1p78 h VAL 36 Ca -0.03 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1p78 h VAL 36 Cb 0.41 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1p78 h VAL 36 CO 0.04 0.05 -0.28 0.28 0.02 0.00 0.00 177.57 177.69 1p78 h SER 37 N 0.29 -0.90 0.00 0.57 0.02 -1.13 -1.63 113.55 110.78 1p78 h SER 37 Ca 0.19 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1p78 h SER 37 Cb 0.18 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1p78 h SER 37 CO -0.20 -0.30 0.00 -1.54 -1.14 0.00 0.00 176.83 173.65 1p78 n SER 38 N -5.40 0.00 0.00 3.07 3.41 -0.69 -4.74 113.62 109.27 1p78 n SER 38 Ca -0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1p78 n SER 38 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1p78 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p78 n GLY 39 N 0.04 0.76 3.60 5.00 0.00 -0.61 -5.06 105.19 108.92 1p78 n GLY 39 Ca 0.07 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1p78 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p78 s ASP 40 N -2.13 6.48 -0.21 1.61 3.68 1.00 -4.97 116.67 122.14 1p78 s ASP 40 Ca 0.00 0.44 -0.29 0.00 2.13 0.00 0.00 52.55 54.83 1p78 s ASP 40 Cb 0.00 -2.32 -0.02 0.00 -1.45 0.00 0.00 42.92 39.13 1p78 s ASP 40 CO 0.00 -0.44 1.48 -0.75 0.13 0.00 0.00 175.17 175.58 1p78 s LYS 41 N 2.55 3.96 -0.31 4.34 2.20 -1.26 -2.62 119.74 128.59 1p78 s LYS 41 Ca 0.24 1.62 -0.20 0.00 -0.36 0.00 0.00 55.97 57.28 1p78 s LYS 41 Cb -0.15 -3.94 -0.01 0.00 -1.51 0.00 0.00 37.83 32.22 1p78 s LYS 41 CO 0.11 -1.08 0.61 0.08 -0.36 0.00 0.00 175.35 174.71 1p78 s VAL 42 N 4.53 4.95 -0.32 4.02 1.01 0.37 -4.93 120.40 130.03 1p78 s VAL 42 Ca 0.65 0.78 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1p78 s VAL 42 Cb -0.23 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.24 1p78 s VAL 42 CO 0.25 -0.15 0.02 -0.89 0.00 0.00 0.00 175.10 174.34 1p78 s THR 43 N 2.57 2.62 -0.34 3.92 2.01 -1.26 0.22 115.64 125.37 1p78 s THR 43 Ca 0.24 -1.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.23 1p78 s THR 43 Cb -0.15 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1p78 s THR 43 CO 0.12 -0.34 0.32 -0.76 -0.69 0.00 0.00 174.62 173.26 1p78 s LEU 44 N 1.09 4.48 0.12 4.42 1.43 -0.55 -5.00 118.68 124.66 1p78 s LEU 44 Ca 0.01 -0.31 -0.35 0.00 -1.03 0.00 0.00 54.13 52.45 1p78 s LEU 44 Cb -0.20 -2.26 -0.15 0.00 0.03 0.00 0.00 46.19 43.61 1p78 s LEU 44 CO -0.05 -0.30 1.50 0.52 0.23 0.00 0.00 176.35 178.25 1p78 n VAL 45 N 5.19 0.02 -2.60 -1.59 0.31 -1.26 -1.96 118.33 116.44 1p78 n VAL 45 Ca -0.10 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.08 1p78 n VAL 45 Cb 0.49 -1.29 0.01 0.00 -0.91 0.00 0.00 33.84 32.15 1p78 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p78 n GLY 46 N 3.13 -0.13 2.10 2.92 0.00 -1.26 -4.82 105.19 107.13 1p78 n GLY 46 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1p78 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p78 n PHE 47 N -4.06 -3.10 -1.11 1.61 7.35 -0.94 -4.76 117.46 112.44 1p78 n PHE 47 Ca -0.10 0.79 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 1p78 n PHE 47 Cb 0.59 1.97 0.00 0.00 0.35 0.00 0.00 39.48 42.39 1p78 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1p78 n GLY 48 N -0.26 -1.47 3.27 7.13 0.00 -0.83 -0.70 105.19 112.33 1p78 n GLY 48 Ca 0.00 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1p78 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p78 s SER 49 N -1.51 2.42 -0.05 1.61 1.04 -0.21 -1.49 113.70 115.52 1p78 s SER 49 Ca 0.00 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 55.79 1p78 s SER 49 Cb 0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1p78 s SER 49 CO 0.00 0.04 -0.16 -0.36 0.98 0.00 0.00 173.24 173.74 1p78 s PHE 50 N -1.21 2.65 0.22 5.02 0.40 0.13 -0.25 117.98 124.96 1p78 s PHE 50 Ca 0.05 -0.20 -0.17 0.00 -0.60 0.00 0.00 56.93 56.02 1p78 s PHE 50 Cb -0.10 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.84 1p78 s PHE 50 CO 0.04 0.16 0.55 -1.83 0.70 0.00 0.00 175.22 174.84 1p78 s GLU 51 N -0.71 1.50 -0.15 0.44 -1.05 -0.38 -0.48 118.70 117.88 1p78 s GLU 51 Ca 0.11 -0.99 -0.07 0.00 -0.15 0.00 0.00 54.97 53.87 1p78 s GLU 51 Cb -0.11 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 1p78 s GLU 51 CO 0.00 -0.65 0.10 0.45 0.95 0.00 0.00 175.26 176.11 1p78 s SER 52 N -2.92 5.99 -0.03 0.83 0.15 -1.26 0.11 113.70 116.57 1p78 s SER 52 Ca 0.13 0.28 0.05 0.00 0.70 0.00 0.00 55.95 57.10 1p78 s SER 52 Cb -0.02 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.33 1p78 s SER 52 CO 0.02 0.30 -0.18 -0.13 1.20 0.00 0.00 173.24 174.46 1p78 s ARG 53 N -0.39 1.67 0.27 5.44 0.52 0.73 -4.92 118.95 122.26 1p78 s ARG 53 Ca 0.10 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.39 1p78 s ARG 53 Cb -0.12 -1.51 -0.09 0.00 0.52 0.00 0.00 34.95 33.75 1p78 s ARG 53 CO 0.02 0.30 1.15 -1.21 0.02 0.00 0.00 175.30 175.58 1p78 s GLU 54 N -0.15 4.57 -0.12 3.54 0.41 -1.26 -0.97 118.70 124.72 1p78 s GLU 54 Ca 0.01 1.89 0.01 0.00 -0.41 0.00 0.00 54.97 56.46 1p78 s GLU 54 Cb -0.10 -3.18 0.02 0.00 -1.78 0.00 0.00 34.13 29.09 1p78 s GLU 54 CO 0.01 0.10 -0.13 1.03 -0.49 0.00 0.00 175.26 175.78 1p78 s ARG 55 N -1.30 2.00 0.83 1.61 1.81 0.55 -4.94 118.95 119.51 1p78 s ARG 55 Ca 0.47 -0.46 -0.11 0.00 -1.72 0.00 0.00 55.73 53.91 1p78 s ARG 55 Cb -0.33 -1.82 0.09 0.00 -0.45 0.00 0.00 34.95 32.44 1p78 s ARG 55 CO 0.42 -0.16 1.10 0.15 -0.68 0.00 0.00 175.30 176.14 1p78 s LYS 56 N 1.28 1.81 0.62 3.54 1.02 -1.26 -1.26 119.74 125.49 1p78 s LYS 56 Ca -0.01 1.14 -0.18 0.00 0.02 0.00 0.00 55.97 56.94 1p78 s LYS 56 Cb -0.14 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1p78 s LYS 56 CO -0.05 -1.95 0.92 0.00 -0.92 0.00 0.00 175.35 173.34 1p78 n ALA 57 N -3.73 -0.01 -3.19 5.17 0.00 -1.26 -4.43 120.51 113.07 1p78 n ALA 57 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1p78 n ALA 57 Cb 0.53 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1p78 n ALA 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p78 s ARG 58 N -2.79 1.33 0.21 0.00 1.70 -0.35 -4.89 118.95 114.16 1p78 s ARG 58 Ca 0.76 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 54.81 1p78 s ARG 58 Cb -0.41 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.39 1p78 s ARG 58 CO 0.47 -0.55 1.03 -1.21 -1.08 0.00 0.00 175.30 173.97 1p78 s GLU 59 N -3.89 4.69 0.10 3.89 2.02 -1.26 -0.01 118.70 124.25 1p78 s GLU 59 Ca 0.10 1.64 0.02 0.00 0.02 0.00 0.00 54.97 56.75 1p78 s GLU 59 Cb -0.00 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 1p78 s GLU 59 CO -0.03 0.25 0.08 0.41 0.02 0.00 0.00 175.26 175.99 1p78 n GLY 60 N 1.72 3.71 2.98 -1.39 0.00 0.03 -4.81 105.19 107.43 1p78 n GLY 60 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1p78 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p78 s ARG 61 N -2.42 0.14 -0.12 1.61 3.52 -1.26 -1.21 118.95 119.21 1p78 s ARG 61 Ca 0.11 0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.84 1p78 s ARG 61 Cb 0.01 -0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.22 1p78 s ARG 61 CO 0.08 -0.15 1.85 1.21 -0.81 0.00 0.00 175.30 177.48 1p78 s ASN 62 N 1.08 6.24 0.50 -2.12 3.84 0.53 -4.88 114.94 120.13 1p78 s ASN 62 Ca -0.08 2.07 0.29 0.00 0.21 0.00 0.00 52.86 55.35 1p78 s ASN 62 Cb -0.10 -2.53 1.03 0.00 -0.55 0.00 0.00 41.25 39.10 1p78 s ASN 62 CO -0.06 -1.30 1.86 1.55 -2.79 0.00 0.00 177.10 176.36 1p78 h PRO 63 N 11.44 0.00 0.13 0.43 0.13 -1.94 0.74 132.00 142.93 1p78 h PRO 63 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1p78 h PRO 63 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p78 h PRO 63 CO 0.97 0.06 -0.06 0.87 -0.23 0.00 0.00 178.00 179.60 1p78 h LYS 64 N 0.00 -0.17 -0.00 0.86 1.79 -1.97 -3.38 116.57 113.69 1p78 h LYS 64 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1p78 h LYS 64 Cb 0.68 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1p78 h LYS 64 CO 0.01 -0.12 -0.29 0.25 -1.08 0.00 0.00 179.45 178.22 1p78 n THR 65 N -3.45 0.00 -1.39 -0.16 -2.24 -1.21 -4.91 114.28 100.92 1p78 n THR 65 Ca -0.02 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1p78 n THR 65 Cb 0.07 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1p78 n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p78 n ASN 66 N -1.10 -5.37 -4.75 3.42 5.15 0.26 -4.95 115.26 107.91 1p78 n ASN 66 Ca 0.10 0.35 -0.40 0.00 -0.60 0.00 0.00 54.58 54.03 1p78 n ASN 66 Cb 0.33 -4.27 -0.05 0.00 -0.53 0.00 0.00 39.78 35.26 1p78 n ASN 66 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1p78 s GLU 67 N -3.16 4.59 0.53 1.20 2.02 -1.23 -4.72 118.70 117.94 1p78 s GLU 67 Ca 0.00 1.21 -0.21 0.00 0.02 0.00 0.00 54.97 55.99 1p78 s GLU 67 Cb 0.00 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.84 1p78 s GLU 67 CO 0.00 0.38 1.12 1.17 0.02 0.00 0.00 175.26 177.95 1p78 n LYS 68 N 2.31 1.32 -3.94 1.61 3.00 -1.26 -0.35 118.16 120.85 1p78 n LYS 68 Ca -0.02 0.49 -0.10 0.00 -0.00 0.00 0.00 58.31 58.68 1p78 n LYS 68 Cb 0.49 -2.28 -0.06 0.00 0.00 0.00 0.00 35.03 33.18 1p78 n LYS 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p78 s MET 69 N -2.59 1.26 -0.25 1.64 0.23 -0.35 -4.78 119.30 114.47 1p78 s MET 69 Ca 0.71 -1.16 -0.09 0.00 -1.03 0.00 0.00 55.69 54.12 1p78 s MET 69 Cb -0.45 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 1p78 s MET 69 CO 0.51 -0.49 0.11 -2.00 -2.03 0.00 0.00 175.02 171.12 1p78 s GLU 70 N -3.97 3.83 -0.27 3.16 2.12 -1.26 -0.79 118.70 121.52 1p78 s GLU 70 Ca 0.18 -0.39 -0.27 0.00 0.36 0.00 0.00 54.97 54.84 1p78 s GLU 70 Cb 0.02 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1p78 s GLU 70 CO 0.02 -0.09 0.98 0.42 -0.54 0.00 0.00 175.26 176.05 1p78 s ILE 71 N 1.40 4.68 0.75 -3.70 1.01 0.99 -4.93 121.20 121.40 1p78 s ILE 71 Ca 0.06 1.76 -0.15 0.00 0.00 0.00 0.00 60.65 62.32 1p78 s ILE 71 Cb -0.15 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.09 1p78 s ILE 71 CO 0.05 -0.25 1.24 -2.84 0.00 0.00 0.00 174.94 173.14 1p78 s PRO 72 N 3.23 1.92 0.50 2.79 0.02 -1.26 -1.21 135.00 140.99 1p78 s PRO 72 Ca 0.41 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 1p78 s PRO 72 Cb -0.14 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1p78 s PRO 72 CO 0.10 -2.03 1.06 0.00 -0.33 0.00 0.00 177.00 175.80 1p78 n ALA 73 N -2.84 0.49 -3.65 -1.55 0.00 -1.26 -4.50 120.51 107.21 1p78 n ALA 73 Ca 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1p78 n ALA 73 Cb 0.50 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1p78 n ALA 73 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1p78 n THR 74 N -0.98 0.00 -4.70 0.00 5.66 -0.39 -4.89 114.28 108.98 1p78 n THR 74 Ca 0.11 -0.97 -0.24 0.00 -3.05 0.00 0.00 64.05 59.90 1p78 n THR 74 Cb 0.43 0.74 -0.15 0.00 -1.55 0.00 0.00 70.33 69.80 1p78 n THR 74 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1p78 s ARG 75 N -2.30 1.28 0.01 1.09 0.52 -1.26 -0.33 118.95 117.96 1p78 s ARG 75 Ca 0.16 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 1p78 s ARG 75 Cb -0.02 -1.27 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 1p78 s ARG 75 CO 0.11 0.34 -0.12 0.14 0.02 0.00 0.00 175.30 175.80 1p78 s VAL 76 N -0.51 0.93 0.24 3.52 -7.23 -0.15 -4.90 120.40 112.30 1p78 s VAL 76 Ca 0.06 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1p78 s VAL 76 Cb -0.07 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.97 1p78 s VAL 76 CO -0.00 0.14 1.37 -2.16 -0.31 0.00 0.00 175.10 174.13 1p78 s PRO 77 N -0.60 4.33 0.04 4.82 0.04 -1.26 -0.20 135.00 142.17 1p78 s PRO 77 Ca 0.03 2.19 0.06 0.00 0.04 0.00 0.00 61.00 63.32 1p78 s PRO 77 Cb -0.06 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1p78 s PRO 77 CO 0.00 -0.31 -0.17 0.00 0.04 0.00 0.00 177.00 176.55 1p78 s ALA 78 N -0.15 1.45 -0.03 8.56 0.00 0.30 -4.91 121.76 126.98 1p78 s ALA 78 Ca 0.57 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.66 1p78 s ALA 78 Cb -0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1p78 s ALA 78 CO 0.43 0.30 -0.25 0.12 0.00 0.00 0.00 175.76 176.36 1p78 s PHE 79 N -0.82 2.38 -0.40 0.00 5.36 -1.26 -1.25 117.98 122.00 1p78 s PHE 79 Ca 0.04 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 1p78 s PHE 79 Cb -0.08 -1.53 0.12 0.00 -0.34 0.00 0.00 43.02 41.19 1p78 s PHE 79 CO 0.01 -0.05 0.17 0.45 -1.46 0.00 0.00 175.22 174.35 1p78 s SER 80 N -0.55 4.04 0.28 6.13 0.15 0.66 -4.97 113.70 119.43 1p78 s SER 80 Ca 0.08 -2.36 -0.30 0.00 0.70 0.00 0.00 55.95 54.07 1p78 s SER 80 Cb -0.11 -1.18 -0.12 0.00 -1.71 0.00 0.00 66.02 62.90 1p78 s SER 80 CO -0.00 -0.32 1.54 0.00 1.20 0.00 0.00 173.24 175.66 1p78 n ALA 81 N 3.92 2.10 -1.80 5.45 0.00 -1.26 -1.04 120.51 127.88 1p78 n ALA 81 Ca 0.05 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 1p78 n ALA 81 Cb 0.37 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.53 1p78 n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1p78 s GLY 82 N 0.44 1.61 0.26 0.00 0.00 0.12 -4.81 107.32 104.93 1p78 s GLY 82 Ca 0.65 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 1p78 s GLY 82 CO 0.49 -0.14 1.69 0.50 0.00 0.00 0.00 173.10 175.64 1p78 h LYS 83 N -1.26 0.32 0.16 2.90 1.57 -1.94 -2.06 116.57 116.26 1p78 h LYS 83 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1p78 h LYS 83 Cb 1.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1p78 h LYS 83 CO 0.61 0.21 -0.16 1.25 -0.57 0.00 0.00 179.45 180.80 1p78 h LEU 84 N 0.33 -0.43 0.00 2.94 5.85 -1.92 -0.16 115.31 121.93 1p78 h LEU 84 Ca 0.47 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.26 1p78 h LEU 84 Cb 0.84 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1p78 h LEU 84 CO -0.52 -0.24 -0.18 0.15 -0.34 0.00 0.00 178.44 177.31 1p78 h PHE 85 N -0.35 -0.47 -0.88 1.25 3.04 -1.66 -1.29 116.94 116.58 1p78 h PHE 85 Ca 0.00 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.05 1p78 h PHE 85 Cb 0.33 0.21 -0.07 0.00 2.56 0.00 0.00 35.95 38.98 1p78 h PHE 85 CO -0.13 -0.26 0.54 0.00 -2.02 0.00 0.00 178.31 176.43 1p78 h ARG 86 N -0.30 0.91 -0.07 1.11 3.08 -1.29 -1.30 114.38 116.52 1p78 h ARG 86 Ca 0.05 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1p78 h ARG 86 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1p78 h ARG 86 CO -0.17 0.60 -0.56 0.93 -1.07 0.00 0.00 179.97 179.71 1p78 h GLU 87 N 0.94 0.21 -0.24 0.04 5.08 -0.54 0.01 114.58 120.08 1p78 h GLU 87 Ca 0.40 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1p78 h GLU 87 Cb 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1p78 h GLU 87 CO -0.21 0.72 -0.27 0.87 -1.00 0.00 0.00 179.01 179.11 1p78 h LYS 88 N 0.16 0.61 -0.46 2.33 1.79 -0.88 -0.32 116.57 119.80 1p78 h LYS 88 Ca -0.00 -0.33 -0.06 0.00 -2.18 0.00 0.00 60.65 58.07 1p78 h LYS 88 Cb 1.03 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 1p78 h LYS 88 CO 0.08 0.93 0.04 0.28 -1.08 0.00 0.00 179.45 179.71 1p78 h VAL 89 N 0.31 1.23 -2.38 0.50 2.07 -1.12 -3.37 116.25 113.49 1p78 h VAL 89 Ca 0.03 -0.90 -0.59 0.00 0.82 0.00 0.00 66.70 66.06 1p78 h VAL 89 Cb 0.84 0.84 -0.38 0.00 -1.52 0.00 0.00 31.29 31.06 1p78 h VAL 89 CO 0.07 0.32 -0.97 0.00 0.02 0.00 0.00 177.57 177.01 1p78 s ALA 90 N -5.04 1.42 0.05 1.67 0.00 -0.02 -5.10 121.76 114.74 1p78 s ALA 90 Ca -0.09 -2.46 -0.38 0.00 0.00 0.00 0.00 51.96 49.03 1p78 s ALA 90 Cb 0.15 -1.60 -0.18 0.00 0.00 0.00 0.00 23.12 21.49 1p78 s ALA 90 CO 0.80 -1.98 1.19 -2.30 0.00 0.00 0.00 175.76 173.47 1p78 n PRO 91 N 2.86 0.60 0.00 0.00 -0.02 -0.14 -4.40 135.00 133.91 1p78 n PRO 91 Ca 0.29 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1p78 n PRO 91 Cb 0.47 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1p78 n PRO 91 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18