#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p84 s SER 4 N 0.00 5.49 0.44 1.69 1.04 -1.26 -4.94 113.70 116.16 1p84 s SER 4 Ca 0.00 1.85 0.25 0.00 0.48 0.00 0.00 55.95 58.52 1p84 s SER 4 Cb 0.00 -2.53 0.80 0.00 0.10 0.00 0.00 66.02 64.39 1p84 s SER 4 CO 0.00 -1.37 1.77 -0.26 0.98 0.00 0.00 173.24 174.37 1p84 h PHE 5 N 0.13 0.00 -0.46 5.02 -1.00 -1.99 -2.50 116.94 116.14 1p84 h PHE 5 Ca -0.46 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.28 1p84 h PHE 5 Cb 1.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.77 1p84 h PHE 5 CO 0.58 0.18 0.13 1.15 -1.61 0.00 0.00 178.31 178.74 1p84 h THR 6 N 0.00 1.23 -0.44 -1.55 2.02 -1.94 -0.87 112.91 111.36 1p84 h THR 6 Ca -0.00 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 1p84 h THR 6 Cb 0.83 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1p84 h THR 6 CO 0.02 0.28 -0.03 -1.28 0.37 0.00 0.00 175.52 174.88 1p84 h SER 7 N 0.62 0.79 -0.71 4.18 0.87 -1.91 -1.73 113.55 115.66 1p84 h SER 7 Ca 0.15 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1p84 h SER 7 Cb 0.29 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1p84 h SER 7 CO -0.00 0.93 0.44 0.40 -0.53 0.00 0.00 176.83 178.07 1p84 h ILE 8 N 0.64 1.20 -0.40 2.23 2.04 -1.24 -2.70 117.51 119.27 1p84 h ILE 8 Ca 0.12 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1p84 h ILE 8 Cb 0.54 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1p84 h ILE 8 CO 0.03 0.20 0.11 0.00 0.00 0.00 0.00 178.15 178.48 1p84 h ALA 9 N 1.24 0.53 0.19 1.87 0.00 -1.01 0.11 119.26 122.19 1p84 h ALA 9 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1p84 h ALA 9 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1p84 h ALA 9 CO -0.05 0.19 -0.52 -0.09 0.00 0.00 0.00 179.25 178.78 1p84 h ARG 10 N 0.51 -0.77 -0.28 0.00 2.43 -1.06 0.52 114.38 115.73 1p84 h ARG 10 Ca 0.13 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1p84 h ARG 10 Cb 0.29 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1p84 h ARG 10 CO -0.00 -0.51 0.16 0.82 -1.51 0.00 0.00 179.97 178.93 1p84 h ILE 11 N -0.79 1.03 -0.65 1.20 2.04 -1.46 -1.91 117.51 116.96 1p84 h ILE 11 Ca -0.02 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1p84 h ILE 11 Cb 0.77 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1p84 h ILE 11 CO -0.24 0.06 0.26 1.23 0.00 0.00 0.00 178.15 179.46 1p84 h GLY 12 N 0.33 1.03 1.17 5.37 0.00 -0.61 -2.44 103.07 107.92 1p84 h GLY 12 Ca 0.11 -0.53 -0.20 0.00 0.00 0.00 0.00 47.33 46.71 1p84 h GLY 12 CO -0.05 0.50 -0.64 -0.55 0.00 0.00 0.00 176.54 175.80 1p84 h ASP 13 N 0.94 0.96 -0.45 0.19 3.32 0.24 -1.43 116.42 120.20 1p84 h ASP 13 Ca 0.22 -0.56 0.03 0.00 0.02 0.00 0.00 57.03 56.74 1p84 h ASP 13 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1p84 h ASP 13 CO -0.02 1.36 0.24 0.22 -1.72 0.00 0.00 179.24 179.32 1p84 h TYR 14 N 0.62 0.45 -0.45 4.55 3.20 -1.18 -0.07 116.97 124.09 1p84 h TYR 14 Ca -0.01 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1p84 h TYR 14 Cb 1.25 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1p84 h TYR 14 CO 0.08 0.24 -0.06 0.82 -1.64 0.00 0.00 178.16 177.59 1p84 h ILE 15 N 0.48 1.27 -0.24 1.81 2.04 -1.44 -2.87 117.51 118.55 1p84 h ILE 15 Ca 0.19 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 1p84 h ILE 15 Cb 0.07 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1p84 h ILE 15 CO -0.11 0.40 -0.01 0.25 0.00 0.00 0.00 178.15 178.67 1p84 h LEU 16 N 0.68 0.34 0.01 1.44 5.85 -0.57 -2.99 115.31 120.06 1p84 h LEU 16 Ca 0.12 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1p84 h LEU 16 Cb 0.59 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1p84 h LEU 16 CO 0.04 0.41 -0.08 0.11 -0.34 0.00 0.00 178.44 178.58 1p84 h LYS 17 N 0.36 0.04 -6.28 1.25 1.57 -0.96 -3.45 116.57 109.10 1p84 h LYS 17 Ca 0.08 -0.05 -0.55 0.00 -1.87 0.00 0.00 60.65 58.26 1p84 h LYS 17 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1p84 h LYS 17 CO 0.01 0.93 1.18 0.45 -0.57 0.00 0.00 179.45 181.45 1p84 s SER 18 N -6.20 6.45 0.21 0.86 0.15 -1.09 -4.87 113.70 109.20 1p84 s SER 18 Ca -0.18 2.28 0.19 0.00 0.70 0.00 0.00 55.95 58.94 1p84 s SER 18 Cb -0.02 -2.53 0.87 0.00 -1.71 0.00 0.00 66.02 62.64 1p84 s SER 18 CO 0.70 -1.11 1.57 -2.65 1.20 0.00 0.00 173.24 172.96 1p84 n PRO 19 N 7.49 0.13 0.16 5.44 -0.02 -1.26 -1.15 135.00 145.78 1p84 n PRO 19 Ca 0.19 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1p84 n PRO 19 Cb 0.43 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1p84 n PRO 19 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1p84 h VAL 20 N 0.00 0.36 0.13 -1.45 2.07 -1.90 -3.29 116.25 112.17 1p84 h VAL 20 Ca 0.00 -0.74 -0.29 0.00 0.82 0.00 0.00 66.70 66.50 1p84 h VAL 20 Cb 0.19 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1p84 h VAL 20 CO 0.00 0.08 -1.25 -0.07 0.02 0.00 0.00 177.57 176.36 1p84 h LEU 21 N -1.01 0.64 -2.00 2.57 -0.00 -1.79 -3.31 115.31 110.42 1p84 h LEU 21 Ca -0.05 -0.63 0.23 0.00 -0.00 0.00 0.00 57.88 57.43 1p84 h LEU 21 Cb 0.49 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 1p84 h LEU 21 CO 0.08 1.47 0.57 -1.28 -0.00 0.00 0.00 178.44 179.27 1p84 h SER 22 N 0.16 0.00 0.55 -0.43 0.87 -0.98 0.25 113.55 113.97 1p84 h SER 22 Ca -0.16 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1p84 h SER 22 Cb 1.94 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.89 1p84 h SER 22 CO 0.22 0.00 -1.46 0.29 -0.53 0.00 0.00 176.83 175.35 1p84 n LYS 23 N -4.27 0.63 -0.06 2.24 5.02 -1.24 -3.71 118.16 116.77 1p84 n LYS 23 Ca 0.16 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 1p84 n LYS 23 Cb 0.86 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 34.04 1p84 n LYS 23 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1p84 h LEU 24 N 0.00 0.08 0.00 -0.35 5.85 -1.04 -3.42 115.31 116.43 1p84 h LEU 24 Ca -0.01 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 57.87 1p84 h LEU 24 Cb 1.04 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1p84 h LEU 24 CO 0.00 1.25 -0.02 0.00 -0.34 0.00 0.00 178.44 179.33 1p84 h VAL 26 N -1.00 0.12 -0.31 0.00 2.07 -1.75 0.46 116.25 115.84 1p84 h VAL 26 Ca -0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1p84 h VAL 26 Cb 0.43 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1p84 h VAL 26 CO -0.00 0.01 0.07 -0.65 0.02 0.00 0.00 177.57 177.02 1p84 h PRO 27 N 0.07 0.44 -0.13 1.57 0.11 -1.80 0.64 132.00 132.89 1p84 h PRO 27 Ca 0.62 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.60 1p84 h PRO 27 Cb 1.35 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1p84 h PRO 27 CO -0.81 0.42 -0.16 0.28 -0.21 0.00 0.00 178.00 177.52 1p84 h VAL 28 N 0.44 1.36 -0.94 3.15 2.07 -0.34 -2.81 116.25 119.17 1p84 h VAL 28 Ca 0.10 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1p84 h VAL 28 Cb 0.18 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1p84 h VAL 28 CO -0.00 0.40 0.62 0.00 0.02 0.00 0.00 177.57 178.60 1p84 h ALA 29 N 0.58 1.41 -0.33 1.67 0.00 -0.62 -0.01 119.26 121.95 1p84 h ALA 29 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1p84 h ALA 29 Cb 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1p84 h ALA 29 CO 0.04 0.50 -0.14 -0.91 0.00 0.00 0.00 179.25 178.73 1p84 h ASN 30 N 1.17 0.58 -0.09 0.00 -0.26 -0.88 -0.98 115.58 115.13 1p84 h ASN 30 Ca 0.38 -0.17 -0.18 0.00 -0.56 0.00 0.00 56.30 55.78 1p84 h ASN 30 Cb 0.04 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1p84 h ASN 30 CO -0.12 0.75 -0.58 -0.61 -1.06 0.00 0.00 177.43 175.81 1p84 h GLN 31 N 0.54 0.69 0.20 0.81 5.75 -1.03 -2.80 115.11 119.26 1p84 h GLN 31 Ca 0.09 -0.45 -0.01 0.00 -0.15 0.00 0.00 58.65 58.13 1p84 h GLN 31 Cb 0.56 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1p84 h GLN 31 CO 0.04 1.07 -0.10 0.35 -2.65 0.00 0.00 178.83 177.54 1p84 h PHE 32 N 0.52 -0.25 -0.70 3.99 3.04 -0.66 -1.76 116.94 121.12 1p84 h PHE 32 Ca 0.00 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1p84 h PHE 32 Cb 1.15 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.70 1p84 h PHE 32 CO 0.06 -0.09 0.46 0.82 -2.02 0.00 0.00 178.31 177.54 1p84 h ILE 33 N -0.34 0.92 -0.02 1.41 2.04 -1.18 -0.59 117.51 119.75 1p84 h ILE 33 Ca -0.03 -0.19 -0.21 0.00 1.00 0.00 0.00 64.86 65.43 1p84 h ILE 33 Cb 0.27 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1p84 h ILE 33 CO 0.04 0.10 -0.88 0.78 0.00 0.00 0.00 178.15 178.20 1p84 h ASN 34 N 0.56 0.46 0.55 1.72 2.35 -1.25 -3.15 115.58 116.83 1p84 h ASN 34 Ca 0.32 -0.35 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1p84 h ASN 34 Cb 0.51 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1p84 h ASN 34 CO -0.11 1.14 -0.57 -0.07 -1.65 0.00 0.00 177.43 176.17 1p84 h LEU 35 N 0.21 0.02 -0.77 1.61 3.38 -0.36 -2.97 115.31 116.42 1p84 h LEU 35 Ca -0.06 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1p84 h LEU 35 Cb 1.50 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.18 1p84 h LEU 35 CO 0.15 0.59 0.44 0.00 0.09 0.00 0.00 178.44 179.70 1p84 h ALA 36 N 1.41 1.07 0.00 1.53 0.00 -1.11 -3.46 119.26 118.71 1p84 h ALA 36 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p84 h ALA 36 Cb 1.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1p84 h ALA 36 CO 0.08 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1p84 n GLY 37 N -1.31 0.62 0.27 0.00 0.00 -1.13 -4.92 105.19 98.73 1p84 n GLY 37 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1p84 n GLY 37 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1p84 h TYR 38 N 0.00 0.00 0.00 1.61 -0.00 -1.89 -1.90 116.97 114.79 1p84 h TYR 38 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 1p84 h TYR 38 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.80 1p84 h TYR 38 CO 0.05 0.02 -0.26 0.87 -0.00 0.00 0.00 178.16 178.84 1p84 h LYS 39 N 0.00 0.00 0.00 0.10 1.57 -1.89 -2.06 116.57 114.29 1p84 h LYS 39 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p84 h LYS 39 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1p84 h LYS 39 CO 0.00 0.26 0.00 1.63 -0.57 0.00 0.00 179.45 180.77 1p84 n LYS 40 N -4.11 0.14 -0.09 3.15 5.02 -0.71 -1.87 118.16 119.68 1p84 n LYS 40 Ca -0.02 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1p84 n LYS 40 Cb 0.32 -1.74 0.15 0.00 -0.02 0.00 0.00 35.03 33.75 1p84 n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p84 n LEU 41 N -1.99 3.22 0.00 -0.35 4.32 -0.79 -2.30 117.00 119.10 1p84 n LEU 41 Ca 0.03 -1.24 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 1p84 n LEU 41 Cb 0.25 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1p84 n LEU 41 CO 0.20 0.62 0.00 0.61 -1.22 0.00 0.00 177.39 177.60 1p84 n GLY 42 N 1.41 0.47 3.91 -0.72 0.00 -0.78 -4.23 105.19 105.25 1p84 n GLY 42 Ca 0.16 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1p84 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p84 s LEU 43 N 0.00 4.23 0.03 0.99 1.43 -1.09 -4.84 118.68 119.44 1p84 s LEU 43 Ca 0.00 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1p84 s LEU 43 Cb 0.00 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1p84 s LEU 43 CO 0.00 0.07 0.07 -0.54 0.23 0.00 0.00 176.35 176.18 1p84 s LYS 44 N -3.11 2.94 0.28 1.70 1.02 -1.26 -4.11 119.74 117.20 1p84 s LYS 44 Ca 0.34 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.76 1p84 s LYS 44 Cb -0.11 -2.77 0.68 0.00 -0.52 0.00 0.00 37.83 35.11 1p84 s LYS 44 CO 0.27 0.61 1.72 0.35 -0.92 0.00 0.00 175.35 177.37 1p84 h PHE 45 N 3.77 0.70 -0.03 3.18 3.57 -1.91 0.64 116.94 126.87 1p84 h PHE 45 Ca -0.48 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.07 1p84 h PHE 45 Cb 1.17 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1p84 h PHE 45 CO 0.62 0.02 0.05 -0.44 -2.23 0.00 0.00 178.31 176.33 1p84 h ASP 46 N 0.47 0.00 0.59 0.41 3.45 -1.95 -0.58 116.42 118.81 1p84 h ASP 46 Ca 0.54 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.95 1p84 h ASP 46 Cb 0.96 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 1p84 h ASP 46 CO -0.48 0.00 -0.22 0.44 -1.57 0.00 0.00 179.24 177.41 1p84 h ASP 47 N 0.00 0.00 1.11 6.45 3.32 -1.26 -3.02 116.42 123.02 1p84 h ASP 47 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1p84 h ASP 47 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1p84 h ASP 47 CO -0.00 0.22 -0.08 0.18 -1.72 0.00 0.00 179.24 177.84 1p84 n LEU 48 N -3.61 0.36 -4.72 1.55 4.32 -0.23 -4.91 117.00 109.76 1p84 n LEU 48 Ca -0.01 0.47 -0.42 0.00 -0.02 0.00 0.00 56.01 56.03 1p84 n LEU 48 Cb 0.35 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.73 1p84 n LEU 48 CO 0.33 -0.05 1.28 -0.63 -1.22 0.00 0.00 177.39 177.10 1p84 s ILE 49 N -3.04 2.32 0.03 -0.08 1.01 -1.14 -4.91 121.20 115.38 1p84 s ILE 49 Ca 0.12 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 1p84 s ILE 49 Cb 0.16 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 1p84 s ILE 49 CO 0.58 0.02 1.70 0.00 0.00 0.00 0.00 174.94 177.24 1p84 s ALA 50 N 0.96 3.65 -1.26 9.38 0.00 -1.26 -4.91 121.76 128.32 1p84 s ALA 50 Ca 0.71 1.15 0.24 0.00 0.00 0.00 0.00 51.96 54.06 1p84 s ALA 50 Cb -0.46 -3.73 0.40 0.00 0.00 0.00 0.00 23.12 19.32 1p84 s ALA 50 CO 0.34 -1.26 1.34 -0.85 0.00 0.00 0.00 175.76 175.33 1p84 n GLU 51 N 6.31 0.30 -1.32 0.00 0.28 -1.26 -4.75 120.64 120.19 1p84 n GLU 51 Ca 0.17 -0.20 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 1p84 n GLU 51 Cb 0.41 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 1p84 n GLU 51 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1p84 n GLU 52 N -1.18 2.97 -3.46 3.44 4.71 -1.26 -4.26 120.64 121.61 1p84 n GLU 52 Ca 0.07 -2.16 -0.13 0.00 -0.01 0.00 0.00 57.16 54.93 1p84 n GLU 52 Cb 0.35 -2.90 -0.03 0.00 -1.01 0.00 0.00 31.44 27.85 1p84 n GLU 52 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1p84 s ASN 53 N 2.95 -0.56 0.24 1.62 4.22 -1.26 -5.09 114.94 117.06 1p84 s ASN 53 Ca 0.57 0.19 -0.06 0.00 -2.14 0.00 0.00 52.86 51.43 1p84 s ASN 53 Cb 0.15 0.55 0.33 0.00 1.28 0.00 0.00 41.25 43.56 1p84 s ASN 53 CO -0.05 -0.81 1.83 1.55 -2.04 0.00 0.00 177.10 177.58 1p84 h PRO 54 N 2.27 0.82 -0.09 3.55 0.13 -2.00 -2.66 132.00 134.02 1p84 h PRO 54 Ca -0.30 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1p84 h PRO 54 Cb 1.25 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1p84 h PRO 54 CO 0.37 0.54 -0.11 0.82 -0.23 0.00 0.00 178.00 179.39 1p84 h ILE 55 N 0.85 0.68 0.00 -3.56 1.08 -1.97 -1.21 117.51 113.38 1p84 h ILE 55 Ca 0.37 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.79 1p84 h ILE 55 Cb 0.24 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1p84 h ILE 55 CO -0.20 0.00 -0.24 0.24 -0.69 0.00 0.00 178.15 177.26 1p84 h MET 56 N -0.15 0.00 -0.05 2.37 2.86 -1.80 -1.63 114.93 116.53 1p84 h MET 56 Ca 0.07 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 1p84 h MET 56 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1p84 h MET 56 CO -0.18 0.24 -0.84 1.96 1.06 0.00 0.00 176.91 179.14 1p84 h GLN 57 N 0.00 0.45 -0.06 1.72 1.08 -1.02 -1.98 115.11 115.29 1p84 h GLN 57 Ca -0.00 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 1p84 h GLN 57 Cb 0.49 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1p84 h GLN 57 CO 0.03 1.07 0.00 1.15 -0.95 0.00 0.00 178.83 180.13 1p84 h THR 58 N 0.28 1.24 -0.35 -0.54 2.02 -0.96 -2.51 112.91 112.08 1p84 h THR 58 Ca -0.06 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1p84 h THR 58 Cb 1.45 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 69.42 1p84 h THR 58 CO 0.15 0.20 0.03 0.00 0.37 0.00 0.00 175.52 176.27 1p84 h ALA 59 N 0.74 0.35 0.00 6.16 0.00 -1.29 -1.60 119.26 123.62 1p84 h ALA 59 Ca 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1p84 h ALA 59 Cb 0.31 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1p84 h ALA 59 CO 0.00 -0.37 -0.16 -0.07 0.00 0.00 0.00 179.25 178.65 1p84 h LEU 60 N 0.14 0.00 -0.24 0.00 3.38 -1.36 -2.31 115.31 114.92 1p84 h LEU 60 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1p84 h LEU 60 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1p84 h LEU 60 CO -0.26 0.16 -0.91 -0.09 0.09 0.00 0.00 178.44 177.43 1p84 h ARG 61 N 0.00 0.19 0.00 1.13 2.43 -0.85 -3.24 114.38 114.04 1p84 h ARG 61 Ca -0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1p84 h ARG 61 Cb 0.51 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1p84 h ARG 61 CO 0.02 0.97 -0.42 0.00 -1.51 0.00 0.00 179.97 179.04 1p84 h ARG 62 N 0.10 0.00 -6.56 0.20 -0.00 -1.03 -3.47 114.38 103.63 1p84 h ARG 62 Ca -0.05 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.90 1p84 h ARG 62 Cb 1.55 0.00 0.05 0.00 0.00 0.00 0.00 29.97 31.57 1p84 h ARG 62 CO 0.14 0.00 1.04 -0.11 0.00 0.00 0.00 179.97 181.04 1p84 n LEU 63 N -2.52 3.90 -4.68 3.04 7.94 -0.90 -4.93 117.00 118.85 1p84 n LEU 63 Ca 0.03 1.03 -0.38 0.00 -1.11 0.00 0.00 56.01 55.58 1p84 n LEU 63 Cb 0.49 -1.54 0.05 0.00 0.53 0.00 0.00 43.42 42.95 1p84 n LEU 63 CO 0.35 0.12 0.77 -0.81 -1.11 0.00 0.00 177.39 176.71 1p84 n PRO 64 N 4.79 1.20 -0.33 1.96 -0.04 -1.26 -4.75 135.00 136.57 1p84 n PRO 64 Ca 0.17 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 64.10 1p84 n PRO 64 Cb 0.35 -2.37 0.08 0.00 -0.04 0.00 0.00 33.50 31.51 1p84 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1p84 h GLU 65 N 0.81 -0.02 -0.45 0.54 5.08 -1.97 -2.30 114.58 116.27 1p84 h GLU 65 Ca -0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1p84 h GLU 65 Cb 1.34 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1p84 h GLU 65 CO 0.53 -0.01 0.17 -0.44 -1.00 0.00 0.00 179.01 178.26 1p84 h ASP 66 N -0.02 0.58 -0.06 1.42 3.32 -2.00 -1.73 116.42 117.92 1p84 h ASP 66 Ca 0.38 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 1p84 h ASP 66 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1p84 h ASP 66 CO -0.93 0.54 -0.70 -0.33 -1.72 0.00 0.00 179.24 176.10 1p84 h GLU 67 N 0.64 0.70 -0.42 3.56 4.39 -1.79 -2.85 114.58 118.81 1p84 h GLU 67 Ca 0.15 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1p84 h GLU 67 Cb 0.14 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1p84 h GLU 67 CO -0.01 1.15 0.23 1.03 -1.16 0.00 0.00 179.01 180.24 1p84 h SER 68 N 0.49 0.52 -0.54 1.42 0.87 -1.04 0.14 113.55 115.42 1p84 h SER 68 Ca -0.03 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1p84 h SER 68 Cb 1.31 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1p84 h SER 68 CO 0.14 0.46 0.12 1.88 -0.53 0.00 0.00 176.83 178.90 1p84 h TYR 69 N 0.54 0.95 -0.41 2.24 0.99 -1.36 -2.08 116.97 117.84 1p84 h TYR 69 Ca 0.15 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 1p84 h TYR 69 Cb 0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.50 1p84 h TYR 69 CO -0.02 0.80 -0.01 0.00 -0.00 0.00 0.00 178.16 178.93 1p84 h ALA 70 N 1.26 0.56 -0.86 3.88 0.00 -1.18 -1.92 119.26 120.98 1p84 h ALA 70 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1p84 h ALA 70 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1p84 h ALA 70 CO 0.00 0.35 0.57 -0.09 0.00 0.00 0.00 179.25 180.08 1p84 h ARG 71 N 0.56 1.11 -0.40 0.00 2.43 -0.51 -0.99 114.38 116.58 1p84 h ARG 71 Ca 0.12 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1p84 h ARG 71 Cb 0.50 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1p84 h ARG 71 CO 0.02 0.74 0.26 0.00 -1.51 0.00 0.00 179.97 179.48 1p84 h ALA 72 N 1.33 0.50 -0.57 2.80 0.00 -1.19 -0.92 119.26 121.21 1p84 h ALA 72 Ca 0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1p84 h ALA 72 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1p84 h ALA 72 CO -0.08 -0.05 0.05 -0.92 0.00 0.00 0.00 179.25 178.25 1p84 h TYR 73 N 0.53 1.01 -0.43 0.00 3.20 -0.81 -2.17 116.97 118.30 1p84 h TYR 73 Ca 0.15 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1p84 h TYR 73 Cb -0.05 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 1p84 h TYR 73 CO -0.05 0.89 0.02 0.00 -1.64 0.00 0.00 178.16 177.38 1p84 h ARG 74 N 0.89 0.75 -0.40 1.82 3.08 -0.72 -1.69 114.38 118.11 1p84 h ARG 74 Ca 0.17 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1p84 h ARG 74 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1p84 h ARG 74 CO 0.02 0.81 0.10 0.82 -1.07 0.00 0.00 179.97 180.65 1p84 h ILE 75 N 0.59 1.23 -0.28 2.04 2.04 -1.04 -1.19 117.51 120.90 1p84 h ILE 75 Ca 0.13 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1p84 h ILE 75 Cb 0.46 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1p84 h ILE 75 CO 0.02 0.27 0.10 0.40 0.00 0.00 0.00 178.15 178.94 1p84 h ILE 76 N 0.50 1.19 -0.80 -0.67 2.04 -1.39 -2.14 117.51 116.25 1p84 h ILE 76 Ca 0.13 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1p84 h ILE 76 Cb 0.30 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1p84 h ILE 76 CO 0.00 0.20 0.52 -0.09 0.00 0.00 0.00 178.15 178.78 1p84 h ARG 77 N 0.30 0.87 -0.21 2.37 2.43 -1.19 -1.83 114.38 117.12 1p84 h ARG 77 Ca 0.09 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1p84 h ARG 77 Cb 0.21 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1p84 h ARG 77 CO -0.01 0.58 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 1p84 h ALA 78 N 1.56 0.28 -0.94 2.80 0.00 -0.84 -2.15 119.26 119.98 1p84 h ALA 78 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p84 h ALA 78 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1p84 h ALA 78 CO -0.11 0.00 0.56 0.45 0.00 0.00 0.00 179.25 180.15 1p84 h HIS 79 N 0.14 1.25 -0.49 0.00 3.86 -0.87 -0.51 115.15 118.51 1p84 h HIS 79 Ca 0.06 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1p84 h HIS 79 Cb 0.40 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1p84 h HIS 79 CO 0.03 0.83 -0.08 0.37 0.86 0.00 0.00 177.93 179.94 1p84 h GLN 80 N 1.30 0.93 -0.15 2.45 5.75 -1.28 -1.19 115.11 122.93 1p84 h GLN 80 Ca 0.34 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1p84 h GLN 80 Cb -0.04 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1p84 h GLN 80 CO -0.06 1.00 -0.02 1.15 -2.65 0.00 0.00 178.83 178.25 1p84 h THR 81 N 0.79 1.27 -0.38 2.39 2.02 -1.13 -2.64 112.91 115.24 1p84 h THR 81 Ca 0.13 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1p84 h THR 81 Cb 0.63 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.55 1p84 h THR 81 CO 0.04 0.27 -0.05 -0.08 0.37 0.00 0.00 175.52 176.06 1p84 h GLU 82 N -0.00 0.04 0.00 6.66 4.57 -1.00 -0.98 114.58 123.86 1p84 h GLU 82 Ca 0.04 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1p84 h GLU 82 Cb 0.42 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1p84 h GLU 82 CO 0.01 0.03 -0.05 1.37 -1.18 0.00 0.00 179.01 179.19 1p84 h LEU 83 N 0.04 0.00 -0.12 1.64 8.10 -1.11 -0.29 115.31 123.57 1p84 h LEU 83 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 1p84 h LEU 83 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1p84 h LEU 83 CO -0.36 0.05 -0.37 0.35 -4.11 0.00 0.00 178.44 174.00 1p84 n THR 84 N -3.44 0.00 -3.38 0.15 -2.24 -0.44 -4.96 114.28 99.96 1p84 n THR 84 Ca -0.02 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 1p84 n THR 84 Cb 0.17 0.18 0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1p84 n THR 84 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1p84 n HIS 85 N -1.29 -2.35 -4.34 4.78 8.25 -0.12 -5.01 115.22 115.14 1p84 n HIS 85 Ca 0.08 0.82 -0.17 0.00 -0.26 0.00 0.00 57.72 58.19 1p84 n HIS 85 Cb 0.33 -4.32 -0.05 0.00 1.12 0.00 0.00 29.99 27.08 1p84 n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1p84 n HIS 86 N -4.56 0.06 -4.39 4.41 8.25 -1.19 -5.08 115.22 112.73 1p84 n HIS 86 Ca 0.00 -1.81 -0.20 0.00 -0.26 0.00 0.00 57.72 55.45 1p84 n HIS 86 Cb 0.55 0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 1p84 n HIS 86 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1p84 s LEU 87 N 0.00 2.42 0.70 2.41 1.43 -1.26 -4.52 118.68 119.85 1p84 s LEU 87 Ca 0.15 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 51.95 1p84 s LEU 87 Cb 0.01 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.69 1p84 s LEU 87 CO 0.11 -0.37 1.07 -0.76 0.23 0.00 0.00 176.35 176.63 1p84 s LEU 88 N -3.39 3.19 0.29 1.79 1.43 -0.97 -4.96 118.68 116.05 1p84 s LEU 88 Ca 0.28 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.83 1p84 s LEU 88 Cb 0.04 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.64 1p84 s LEU 88 CO 0.10 -1.57 1.37 -2.84 0.23 0.00 0.00 176.35 173.65 1p84 s PRO 89 N -4.76 4.31 0.46 1.29 0.02 -1.26 -4.87 135.00 130.19 1p84 s PRO 89 Ca 0.61 2.25 0.36 0.00 0.02 0.00 0.00 61.00 64.24 1p84 s PRO 89 Cb -0.16 -3.09 1.54 0.00 0.02 0.00 0.00 34.50 32.81 1p84 s PRO 89 CO 0.51 -0.31 1.56 0.54 -0.33 0.00 0.00 177.00 178.97 1p84 n ARG 90 N 1.59 -0.03 0.00 5.54 1.74 -1.26 0.05 116.66 124.29 1p84 n ARG 90 Ca 0.03 1.22 0.10 0.00 -0.77 0.00 0.00 57.85 58.43 1p84 n ARG 90 Cb 0.41 -2.47 0.55 0.00 -1.02 0.00 0.00 32.46 29.93 1p84 n ARG 90 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1p84 n ASN 91 N -4.56 0.00 -0.14 0.55 0.23 -1.26 -2.27 115.26 107.80 1p84 n ASN 91 Ca 0.41 -0.34 0.06 0.00 -0.53 0.00 0.00 54.58 54.18 1p84 n ASN 91 Cb 1.65 -0.13 -0.04 0.00 -2.08 0.00 0.00 39.78 39.18 1p84 n ASN 91 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p84 n GLU 92 N -1.13 2.32 -1.85 -3.83 1.02 0.11 -5.01 120.64 112.27 1p84 n GLU 92 Ca 0.12 -0.32 -0.37 0.00 -0.02 0.00 0.00 57.16 56.57 1p84 n GLU 92 Cb 0.11 -1.15 0.05 0.00 -0.02 0.00 0.00 31.44 30.43 1p84 n GLU 92 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1p84 s TRP 93 N -1.99 2.25 0.07 -0.32 0.52 -0.96 -4.74 118.94 113.76 1p84 s TRP 93 Ca 0.08 1.46 -0.31 0.00 0.02 0.00 0.00 56.10 57.35 1p84 s TRP 93 Cb 0.10 -3.66 -0.06 0.00 -1.15 0.00 0.00 33.47 28.70 1p84 s TRP 93 CO 0.45 -2.68 1.26 0.42 0.02 0.00 0.00 176.95 176.42 1p84 s ILE 94 N -1.42 3.82 0.39 2.03 -1.09 -1.02 -5.00 121.20 118.91 1p84 s ILE 94 Ca 0.78 1.30 -0.12 0.00 -2.23 0.00 0.00 60.65 60.37 1p84 s ILE 94 Cb -0.36 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.62 1p84 s ILE 94 CO 0.40 0.09 0.78 -0.54 -1.23 0.00 0.00 174.94 174.44 1p84 s LYS 95 N 1.19 3.85 0.44 2.79 1.02 -1.26 -4.89 119.74 122.88 1p84 s LYS 95 Ca 0.61 0.56 0.17 0.00 0.02 0.00 0.00 55.97 57.33 1p84 s LYS 95 Cb -0.31 -2.38 1.11 0.00 -0.52 0.00 0.00 37.83 35.72 1p84 s LYS 95 CO 0.29 -0.01 1.92 0.00 -0.92 0.00 0.00 175.35 176.63 1p84 h ALA 96 N 1.48 2.19 -0.07 5.17 0.00 -1.96 0.92 119.26 126.99 1p84 h ALA 96 Ca -0.47 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1p84 h ALA 96 Cb 1.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1p84 h ALA 96 CO 0.64 -0.40 -0.37 1.96 0.00 0.00 0.00 179.25 181.09 1p84 h GLN 97 N 0.36 0.14 0.01 0.00 7.50 -2.03 -3.02 115.11 118.06 1p84 h GLN 97 Ca 0.37 -0.06 -0.21 0.00 0.50 0.00 0.00 58.65 59.25 1p84 h GLN 97 Cb 0.93 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.42 1p84 h GLN 97 CO -0.11 0.49 -1.00 0.93 -1.50 0.00 0.00 178.83 177.64 1p84 h GLU 98 N 0.12 0.02 -3.72 1.46 5.08 -1.23 -3.39 114.58 112.91 1p84 h GLU 98 Ca 0.01 -0.03 -0.38 0.00 -1.00 0.00 0.00 59.36 57.96 1p84 h GLU 98 Cb 0.71 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.99 1p84 h GLU 98 CO 0.05 1.00 2.34 -3.47 -1.00 0.00 0.00 179.01 177.93 1p84 n ASP 99 N -3.38 3.83 -4.85 1.42 2.03 -0.71 -4.89 116.55 110.00 1p84 n ASP 99 Ca -0.01 -2.35 -0.36 0.00 0.52 0.00 0.00 54.79 52.59 1p84 n ASP 99 Cb 0.93 -1.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.26 1p84 n ASP 99 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1p84 s VAL 100 N 3.96 4.99 -1.22 5.18 1.01 -1.26 -4.87 120.40 128.18 1p84 s VAL 100 Ca 0.38 0.73 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 1p84 s VAL 100 Cb 0.10 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1p84 s VAL 100 CO 0.01 0.39 1.97 -0.81 0.00 0.00 0.00 175.10 176.66 1p84 n PRO 101 N 1.24 2.45 0.18 2.72 -0.04 -1.26 -4.72 135.00 135.57 1p84 n PRO 101 Ca -0.09 -2.61 0.03 0.00 -0.04 0.00 0.00 63.50 60.78 1p84 n PRO 101 Cb 0.52 -3.35 0.31 0.00 -0.04 0.00 0.00 33.50 30.95 1p84 n PRO 101 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1p84 h TYR 102 N 7.49 0.00 0.00 0.54 -0.00 -1.95 -3.24 116.97 119.81 1p84 h TYR 102 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.96 1p84 h TYR 102 Cb 0.76 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.46 1p84 h TYR 102 CO 1.36 0.44 -1.66 -0.11 -0.00 0.00 0.00 178.16 178.18 1p84 n LEU 103 N -3.79 0.67 -0.29 0.10 7.94 -1.26 -4.50 117.00 115.87 1p84 n LEU 103 Ca -0.01 0.30 0.04 0.00 -1.11 0.00 0.00 56.01 55.23 1p84 n LEU 103 Cb 0.50 0.15 0.12 0.00 0.53 0.00 0.00 43.42 44.72 1p84 n LEU 103 CO 0.39 0.24 0.71 0.25 -1.11 0.00 0.00 177.39 177.87 1p84 h LEU 104 N 0.00 -0.72 -1.69 -1.96 5.85 -1.94 0.36 115.31 115.22 1p84 h LEU 104 Ca -0.24 0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1p84 h LEU 104 Cb 1.73 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 43.24 1p84 h LEU 104 CO 0.05 -0.27 0.29 1.55 -0.34 0.00 0.00 178.44 179.71 1p84 h PRO 105 N 0.01 0.39 -0.06 5.25 0.13 -1.79 -1.13 132.00 134.81 1p84 h PRO 105 Ca 0.41 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 65.31 1p84 h PRO 105 Cb 0.66 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1p84 h PRO 105 CO -0.84 0.26 -0.82 1.88 -0.23 0.00 0.00 178.00 178.24 1p84 h TYR 106 N 0.40 0.66 -0.37 1.56 -1.99 -1.24 -2.41 116.97 113.59 1p84 h TYR 106 Ca 0.18 -0.32 -0.04 0.00 2.00 0.00 0.00 58.73 60.55 1p84 h TYR 106 Cb 0.21 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1p84 h TYR 106 CO -0.00 1.11 0.06 0.82 -0.00 0.00 0.00 178.16 180.15 1p84 h ILE 107 N 0.30 1.24 -0.46 -2.88 2.04 -0.68 -2.18 117.51 114.89 1p84 h ILE 107 Ca -0.05 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 64.85 1p84 h ILE 107 Cb 1.43 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1p84 h ILE 107 CO 0.15 0.29 -0.15 -0.07 0.00 0.00 0.00 178.15 178.36 1p84 h LEU 108 N 0.46 0.87 -0.25 1.44 3.38 -1.26 -1.47 115.31 118.48 1p84 h LEU 108 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1p84 h LEU 108 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p84 h LEU 108 CO 0.01 1.02 0.11 -0.08 0.09 0.00 0.00 178.44 179.59 1p84 h GLU 109 N 0.77 0.36 -0.86 1.13 4.81 -1.37 -2.12 114.58 117.31 1p84 h GLU 109 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1p84 h GLU 109 Cb 0.68 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1p84 h GLU 109 CO 0.05 0.38 0.45 0.00 -0.73 0.00 0.00 179.01 179.17 1p84 h ALA 110 N 0.96 1.11 -0.66 2.92 0.00 -1.27 -1.85 119.26 120.46 1p84 h ALA 110 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1p84 h ALA 110 Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1p84 h ALA 110 CO -0.01 0.63 0.17 0.93 0.00 0.00 0.00 179.25 180.98 1p84 h GLU 111 N 1.21 1.04 -0.31 0.00 5.08 -1.09 -0.03 114.58 120.48 1p84 h GLU 111 Ca 0.30 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1p84 h GLU 111 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1p84 h GLU 111 CO -0.05 0.91 -0.09 0.00 -1.00 0.00 0.00 179.01 178.78 1p84 h ALA 112 N 1.19 0.43 -0.43 3.43 0.00 -1.13 0.11 119.26 122.86 1p84 h ALA 112 Ca 0.21 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1p84 h ALA 112 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1p84 h ALA 112 CO -0.00 0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.78 1p84 h ALA 113 N 0.79 0.54 -0.13 0.00 0.00 -1.15 0.84 119.26 120.14 1p84 h ALA 113 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1p84 h ALA 113 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1p84 h ALA 113 CO 0.03 -0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.27 1p84 h ALA 114 N 1.19 0.17 -0.91 0.00 0.00 -0.84 -2.16 119.26 116.71 1p84 h ALA 114 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p84 h ALA 114 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1p84 h ALA 114 CO -0.08 -0.27 0.58 -0.22 0.00 0.00 0.00 179.25 179.26 1p84 h LYS 115 N 0.08 1.21 -0.12 0.00 1.63 -0.50 -1.37 116.57 117.51 1p84 h LYS 115 Ca 0.05 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1p84 h LYS 115 Cb 0.12 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1p84 h LYS 115 CO -0.01 0.82 0.08 1.49 -3.45 0.00 0.00 179.45 178.39 1p84 h GLU 116 N 1.24 0.17 -0.94 1.90 4.81 -0.65 -0.11 114.58 121.00 1p84 h GLU 116 Ca 0.33 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.60 1p84 h GLU 116 Cb -0.10 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 1p84 h GLU 116 CO -0.07 0.13 0.60 -0.22 -0.73 0.00 0.00 179.01 178.72 1p84 h LYS 117 N 0.15 1.10 -0.72 1.92 3.64 -1.03 0.26 116.57 121.90 1p84 h LYS 117 Ca 0.05 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1p84 h LYS 117 Cb 0.00 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 1p84 h LYS 117 CO -0.01 0.73 0.34 0.22 -2.27 0.00 0.00 179.45 178.45 1p84 h ASP 118 N 1.13 0.95 -0.02 4.20 3.58 -0.72 -0.84 116.42 124.70 1p84 h ASP 118 Ca 0.39 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1p84 h ASP 118 Cb 0.09 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 1p84 h ASP 118 CO -0.15 0.82 0.01 -0.33 -2.88 0.00 0.00 179.24 176.71 1p84 h GLU 119 N 1.01 0.02 -0.42 0.28 5.08 0.51 -3.08 114.58 117.97 1p84 h GLU 119 Ca 0.25 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1p84 h GLU 119 Cb 0.13 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1p84 h GLU 119 CO -0.03 0.21 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.11 1p84 h LEU 120 N -0.17 0.66 -1.86 1.33 3.38 -0.39 -2.18 115.31 116.08 1p84 h LEU 120 Ca 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1p84 h LEU 120 Cb 0.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1p84 h LEU 120 CO -0.00 0.73 -0.01 0.44 0.09 0.00 0.00 178.44 179.69 1p84 h ASP 121 N 0.65 0.00 -0.19 -0.43 3.32 -1.13 -3.13 116.42 115.52 1p84 h ASP 121 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1p84 h ASP 121 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1p84 h ASP 121 CO 0.02 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 1p84 n ASN 122 N -3.11 2.51 -4.72 6.45 3.02 -1.00 -5.05 115.26 113.37 1p84 n ASN 122 Ca -0.00 -2.01 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 1p84 n ASN 122 Cb 0.25 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1p84 n ASN 122 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1p84 s ILE 123 N -1.02 2.12 0.62 2.41 -4.36 -0.85 -5.00 121.20 115.12 1p84 s ILE 123 Ca 0.13 0.05 -0.04 0.00 -0.26 0.00 0.00 60.65 60.52 1p84 s ILE 123 Cb 0.07 -3.03 0.04 0.00 1.25 0.00 0.00 42.46 40.79 1p84 s ILE 123 CO 0.09 0.00 0.91 -1.61 0.24 0.00 0.00 174.94 174.57 1p84 s GLU 124 N 1.38 2.52 -0.05 0.37 2.02 -1.26 -5.10 118.70 118.58 1p84 s GLU 124 Ca 0.75 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.45 1p84 s GLU 124 Cb -0.49 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1p84 s GLU 124 CO 0.32 -0.92 -0.07 0.14 0.02 0.00 0.00 175.26 174.75 1p84 s VAL 125 N -3.03 0.75 -0.24 2.63 -7.23 -1.26 -5.13 120.40 106.89 1p84 s VAL 125 Ca 0.57 -0.26 -0.05 0.00 -1.81 0.00 0.00 61.98 60.43 1p84 s VAL 125 Cb -0.11 -0.73 -0.00 0.00 0.56 0.00 0.00 36.38 36.10 1p84 s VAL 125 CO 0.43 0.27 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.93 1p84 s SER 126 N 0.76 4.59 0.00 4.85 0.15 -1.26 -5.36 113.70 117.43 1p84 s SER 126 Ca -0.12 -0.47 0.30 0.00 0.70 0.00 0.00 55.95 56.36 1p84 s SER 126 Cb -0.15 -1.79 1.49 0.00 -1.71 0.00 0.00 66.02 63.87 1p84 s SER 126 CO 0.02 -0.07 1.99 0.29 1.20 0.00 0.00 173.24 176.67