#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 2 N 0.00 0.00 0.22 0.03 4.01 -1.26 -4.76 118.16 116.40 3i20 n LYS 2 Ca 0.00 0.00 0.15 0.00 -0.51 0.00 0.00 58.31 57.95 3i20 n LYS 2 Cb 0.00 0.00 0.63 0.00 -0.51 0.00 0.00 35.03 35.15 3i20 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i20 h ALA 3 N 0.00 1.00 -0.03 7.82 0.00 -2.02 -0.17 119.26 125.85 3i20 h ALA 3 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i20 h ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i20 h ALA 3 CO 0.00 0.00 -0.23 -0.22 0.00 0.00 0.00 179.25 178.80 3i20 h LYS 4 N 0.00 0.22 0.12 0.00 3.64 -1.95 -3.37 116.57 115.23 3i20 h LYS 4 Ca 0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3i20 h LYS 4 Cb 0.44 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3i20 h LYS 4 CO 0.00 0.86 -0.06 0.93 -2.27 0.00 0.00 179.45 178.91 3i20 h GLU 5 N -0.36 -0.16 -6.01 1.90 5.08 -1.78 -3.43 114.58 109.83 3i20 h GLU 5 Ca -0.02 0.01 -0.86 0.00 -1.00 0.00 0.00 59.36 57.49 3i20 h GLU 5 Cb 0.91 0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.21 3i20 h GLU 5 CO 0.05 0.32 0.58 -0.11 -1.00 0.00 0.00 179.01 178.85 3i20 n LEU 6 N -4.89 1.02 -2.36 1.33 7.94 -0.11 -1.98 117.00 117.96 3i20 n LEU 6 Ca -0.08 1.18 -0.03 0.00 -1.11 0.00 0.00 56.01 55.98 3i20 n LEU 6 Cb 0.28 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.33 3i20 n LEU 6 CO 0.27 -1.03 0.11 -1.14 -1.11 0.00 0.00 177.39 174.49 3i20 n ARG 7 N 3.57 -1.14 -0.88 1.96 3.00 -1.26 -4.86 116.66 117.05 3i20 n ARG 7 Ca 0.29 1.30 -0.05 0.00 -0.00 0.00 0.00 57.85 59.39 3i20 n ARG 7 Cb -0.03 -4.01 -0.05 0.00 0.00 0.00 0.00 32.46 28.37 3i20 n ARG 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3i20 n GLU 8 N -0.86 0.00 -0.45 -0.14 4.07 -0.84 -5.01 120.64 117.42 3i20 n GLU 8 Ca 0.04 -0.78 0.00 0.00 -0.06 0.00 0.00 57.16 56.36 3i20 n GLU 8 Cb 0.37 0.45 0.00 0.00 -0.06 0.00 0.00 31.44 32.20 3i20 n GLU 8 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i20 n LYS 9 N 0.00 -1.29 0.00 5.31 3.00 -1.26 -3.87 118.16 120.05 3i20 n LYS 9 Ca -0.22 0.96 0.14 0.00 -0.00 0.00 0.00 58.31 59.19 3i20 n LYS 9 Cb 0.62 -1.09 0.50 0.00 0.00 0.00 0.00 35.03 35.06 3i20 n LYS 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3i20 n SER 10 N -1.03 0.48 -0.12 3.14 7.64 -1.26 -1.92 113.62 120.54 3i20 n SER 10 Ca 0.00 -0.38 -0.22 0.00 1.01 0.00 0.00 58.87 59.28 3i20 n SER 10 Cb 0.01 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.07 3i20 n SER 10 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i20 n VAL 11 N -1.12 1.35 -0.08 0.44 0.31 -1.26 -3.88 118.33 114.10 3i20 n VAL 11 Ca 0.11 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.92 3i20 n VAL 11 Cb 0.31 -1.63 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 3i20 n VAL 11 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i20 h GLU 12 N -0.52 -0.36 -0.85 5.55 4.39 -1.77 -2.75 114.58 118.26 3i20 h GLU 12 Ca -0.59 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.14 3i20 h GLU 12 Cb 1.66 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.35 3i20 h GLU 12 CO -0.26 -0.24 0.55 1.49 -1.16 0.00 0.00 179.01 179.39 3i20 h GLU 13 N -0.38 1.13 0.00 2.33 4.81 -1.49 0.33 114.58 121.31 3i20 h GLU 13 Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i20 h GLU 13 Cb 0.59 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3i20 h GLU 13 CO -0.50 0.76 0.00 -0.11 -0.73 0.00 0.00 179.01 178.43 3i20 n LEU 14 N -4.39 0.00 -0.11 1.64 -0.00 -1.05 -1.52 117.00 111.56 3i20 n LEU 14 Ca 0.10 0.30 -0.22 0.00 -0.00 0.00 0.00 56.01 56.18 3i20 n LEU 14 Cb 0.04 -0.30 -0.12 0.00 -0.00 0.00 0.00 43.42 43.04 3i20 n LEU 14 CO 0.37 -0.24 -1.26 0.59 -0.00 0.00 0.00 177.39 176.85 3i20 n ASN 15 N -1.30 1.99 -0.06 1.96 5.03 0.11 -2.19 115.26 120.81 3i20 n ASN 15 Ca 0.03 0.06 -0.08 0.00 0.87 0.00 0.00 54.58 55.46 3i20 n ASN 15 Cb 0.05 -0.60 -0.01 0.00 -1.02 0.00 0.00 39.78 38.19 3i20 n ASN 15 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3i20 h THR 16 N -0.30 0.84 0.00 3.41 2.02 -1.40 0.15 112.91 117.63 3i20 h THR 16 Ca -0.58 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3i20 h THR 16 Cb 1.81 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3i20 h THR 16 CO -0.16 0.02 0.00 1.21 0.37 0.00 0.00 175.52 176.96 3i20 n GLU 17 N -5.13 0.00 -0.08 6.66 4.07 -0.58 0.32 120.64 125.90 3i20 n GLU 17 Ca -0.01 0.76 0.25 0.00 -0.06 0.00 0.00 57.16 58.10 3i20 n GLU 17 Cb 0.13 -1.30 0.72 0.00 -0.06 0.00 0.00 31.44 30.92 3i20 n GLU 17 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i20 h LEU 18 N 0.00 0.00 -0.01 4.31 7.12 -1.13 0.38 115.31 125.97 3i20 h LEU 18 Ca 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 3i20 h LEU 18 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.14 3i20 h LEU 18 CO 0.00 0.00 -0.30 -0.07 -0.13 0.00 0.00 178.44 177.94 3i20 h LEU 19 N 0.00 0.28 -0.01 2.25 4.07 0.88 -0.48 115.31 122.31 3i20 h LEU 19 Ca 0.34 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.55 3i20 h LEU 19 Cb 1.47 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.12 3i20 h LEU 19 CO -0.00 0.99 -0.02 0.78 -1.08 0.00 0.00 178.44 179.11 3i20 h ASN 20 N -0.40 -0.07 -0.08 -0.43 -0.26 0.21 0.54 115.58 115.09 3i20 h ASN 20 Ca -0.03 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3i20 h ASN 20 Cb 1.03 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.30 3i20 h ASN 20 CO 0.06 -0.02 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.25 3i20 h LEU 21 N -0.02 -0.29 0.00 1.61 3.38 -1.63 0.20 115.31 118.56 3i20 h LEU 21 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i20 h LEU 21 Cb 0.03 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i20 h LEU 21 CO -0.02 -0.06 0.00 -0.11 0.09 0.00 0.00 178.44 178.34 3i20 n LEU 22 N -3.16 0.00 0.00 1.67 7.94 -0.19 -1.65 117.00 121.61 3i20 n LEU 22 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i20 n LEU 22 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 3i20 n LEU 22 CO -0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.82 3i20 n ARG 23 N 0.00 0.00 0.00 1.96 5.12 0.18 -3.33 116.66 120.59 3i20 n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i20 n ARG 23 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i20 n ARG 23 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3i20 n GLU 24 N 0.00 0.00 0.11 5.56 -0.58 -0.98 -1.08 120.64 123.67 3i20 n GLU 24 Ca 0.00 0.18 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 3i20 n GLU 24 Cb 0.00 -0.33 0.39 0.00 -0.57 0.00 0.00 31.44 30.93 3i20 n GLU 24 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3i20 n GLN 25 N -0.93 0.09 -0.13 3.49 7.27 0.67 -0.18 117.38 127.67 3i20 n GLN 25 Ca 0.00 0.59 -0.27 0.00 0.07 0.00 0.00 57.00 57.39 3i20 n GLN 25 Cb 0.00 -1.80 -0.10 0.00 2.41 0.00 0.00 30.24 30.75 3i20 n GLN 25 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i20 n PHE 26 N -2.00 0.21 -0.18 3.69 -0.00 -0.24 -3.83 117.46 115.10 3i20 n PHE 26 Ca -0.01 0.09 -0.09 0.00 -0.00 0.00 0.00 57.45 57.44 3i20 n PHE 26 Cb 0.03 -0.99 0.01 0.00 -0.00 0.00 0.00 39.48 38.52 3i20 n PHE 26 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3i20 h ASN 27 N -1.00 0.82 -0.58 -2.13 -0.26 -0.86 0.34 115.58 111.91 3i20 h ASN 27 Ca -0.60 -0.26 0.11 0.00 -0.56 0.00 0.00 56.30 54.99 3i20 h ASN 27 Cb 1.52 -0.22 -0.08 0.00 -1.06 0.00 0.00 38.32 38.48 3i20 h ASN 27 CO -0.36 0.87 0.12 -0.07 -1.06 0.00 0.00 177.43 176.93 3i20 h LEU 28 N 0.74 0.00 -0.05 1.61 3.38 -0.78 1.64 115.31 121.86 3i20 h LEU 28 Ca 0.16 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3i20 h LEU 28 Cb 0.40 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i20 h LEU 28 CO 0.01 0.01 0.03 -0.09 0.09 0.00 0.00 178.44 178.49 3i20 h ARG 29 N 0.26 0.08 -0.22 1.13 2.43 -1.43 0.26 114.38 116.90 3i20 h ARG 29 Ca 0.30 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3i20 h ARG 29 Cb 0.44 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3i20 h ARG 29 CO -0.39 0.17 0.07 0.52 -1.51 0.00 0.00 179.97 178.83 3i20 h MET 30 N -0.03 0.34 0.46 0.20 2.86 0.13 0.12 114.93 119.01 3i20 h MET 30 Ca 0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3i20 h MET 30 Cb 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3i20 h MET 30 CO -0.00 0.43 -0.36 0.37 1.06 0.00 0.00 176.91 178.40 3i20 h GLN 31 N 0.18 -0.79 0.16 1.72 4.15 0.24 -2.21 115.11 118.56 3i20 h GLN 31 Ca 0.07 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.56 3i20 h GLN 31 Cb 0.23 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 3i20 h GLN 31 CO -0.00 -0.53 -0.50 0.00 -1.93 0.00 0.00 178.83 175.87 3i20 h ALA 32 N -0.42 -0.95 0.00 3.38 0.00 -0.30 -0.80 119.26 120.16 3i20 h ALA 32 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i20 h ALA 32 Cb 0.70 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3i20 h ALA 32 CO -0.01 -1.10 0.09 0.00 0.00 0.00 0.00 179.25 178.23 3i20 h ALA 33 N -0.48 1.07 -0.87 0.00 0.00 -0.97 -1.30 119.26 116.72 3i20 h ALA 33 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 3i20 h ALA 33 Cb 0.76 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.28 3i20 h ALA 33 CO -0.26 -0.07 0.58 -1.13 0.00 0.00 0.00 179.25 178.37 3i20 n SER 34 N -2.57 3.76 0.00 0.00 3.41 -0.32 -4.88 113.62 113.02 3i20 n SER 34 Ca -0.02 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 3i20 n SER 34 Cb 0.13 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 3i20 n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i20 n GLY 35 N -0.92 1.84 0.00 5.00 0.00 -0.49 -4.94 105.19 105.68 3i20 n GLY 35 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3i20 n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i20 n GLN 36 N -2.00 3.46 -2.60 1.61 6.02 -1.13 -4.99 117.38 117.75 3i20 n GLN 36 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 3i20 n GLN 36 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3i20 n GLN 36 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i20 n LEU 37 N 0.00 -5.81 -0.01 1.08 0.00 -1.26 -4.51 117.00 106.49 3i20 n LEU 37 Ca 0.00 2.21 -0.17 0.00 0.00 0.00 0.00 56.01 58.05 3i20 n LEU 37 Cb 0.00 -2.99 -0.14 0.00 0.00 0.00 0.00 43.42 40.29 3i20 n LEU 37 CO 0.00 -3.62 0.24 1.56 0.00 0.00 0.00 177.39 175.56 3i20 h GLN 38 N 4.30 0.15 -4.58 1.96 7.50 -1.97 -3.42 115.11 119.05 3i20 h GLN 38 Ca -0.37 -0.25 -0.72 0.00 0.50 0.00 0.00 58.65 57.81 3i20 h GLN 38 Cb 0.84 0.09 -0.21 0.00 0.05 0.00 0.00 27.48 28.26 3i20 h GLN 38 CO 0.01 1.11 0.27 1.14 -1.50 0.00 0.00 178.83 179.85 3i20 s GLN 39 N -2.38 3.28 0.27 1.46 -2.07 -1.26 -4.87 119.66 114.08 3i20 s GLN 39 Ca -0.16 -1.66 -0.04 0.00 -1.82 0.00 0.00 55.36 51.68 3i20 s GLN 39 Cb -0.01 -4.44 0.35 0.00 -1.09 0.00 0.00 33.01 27.82 3i20 s GLN 39 CO 0.76 -1.54 1.94 0.66 -1.32 0.00 0.00 175.29 175.79 3i20 h SER 40 N 8.82 1.07 -0.24 12.60 4.64 -1.98 -3.14 113.55 135.32 3i20 h SER 40 Ca -0.11 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i20 h SER 40 Cb 1.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3i20 h SER 40 CO 1.03 0.76 0.73 1.12 -0.87 0.00 0.00 176.83 179.60 3i20 h HIS 41 N 1.25 0.00 0.20 4.77 2.07 -1.99 -1.17 115.15 120.28 3i20 h HIS 41 Ca 0.35 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.86 3i20 h HIS 41 Cb -0.11 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.87 3i20 h HIS 41 CO -0.00 0.00 -0.16 -0.07 -3.07 0.00 0.00 177.93 174.63 3i20 h LEU 42 N 0.00 -0.42 -0.36 6.12 4.07 -1.85 -3.12 115.31 119.76 3i20 h LEU 42 Ca 0.11 0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.15 3i20 h LEU 42 Cb 1.57 0.13 -0.05 0.00 1.08 0.00 0.00 40.66 43.39 3i20 h LEU 42 CO -0.00 -0.22 -0.16 0.18 -1.08 0.00 0.00 178.44 177.16 3i20 n LEU 43 N -3.24 -0.27 0.00 1.67 4.77 -0.44 -1.61 117.00 117.87 3i20 n LEU 43 Ca -0.04 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3i20 n LEU 43 Cb 0.15 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3i20 n LEU 43 CO 0.09 -0.55 0.16 1.17 -1.33 0.00 0.00 177.39 176.94 3i20 n LYS 44 N -4.50 0.00 -0.63 3.23 3.00 -1.18 -2.14 118.16 115.95 3i20 n LYS 44 Ca 0.03 0.28 -0.31 0.00 -0.00 0.00 0.00 58.31 58.31 3i20 n LYS 44 Cb 0.13 -0.83 0.19 0.00 0.00 0.00 0.00 35.03 34.52 3i20 n LYS 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i20 n GLN 45 N -0.61 -1.56 0.00 1.64 10.64 -0.63 -1.21 117.38 125.66 3i20 n GLN 45 Ca 0.00 -0.42 0.00 0.00 -1.83 0.00 0.00 57.00 54.75 3i20 n GLN 45 Cb 0.00 -1.95 0.00 0.00 -0.86 0.00 0.00 30.24 27.43 3i20 n GLN 45 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3i20 n VAL 46 N -4.46 0.00 -0.22 -0.39 0.31 -1.26 -4.28 118.33 108.03 3i20 n VAL 46 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 3i20 n VAL 46 Cb 0.57 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.61 3i20 n VAL 46 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i20 h ARG 47 N 0.00 0.08 -0.04 5.55 2.43 -0.70 0.44 114.38 122.15 3i20 h ARG 47 Ca 0.00 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 3i20 h ARG 47 Cb 0.00 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3i20 h ARG 47 CO 0.00 0.06 -0.91 0.00 -1.51 0.00 0.00 179.97 177.61 3i20 h ARG 48 N 0.09 0.55 0.31 0.20 2.47 -1.34 -2.79 114.38 113.88 3i20 h ARG 48 Ca 0.35 -0.55 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3i20 h ARG 48 Cb 0.58 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 3i20 h ARG 48 CO -0.60 1.17 -0.21 -0.44 0.56 0.00 0.00 179.97 180.45 3i20 h ASP 49 N 0.34 -0.53 -0.92 7.04 3.45 -1.58 -2.10 116.42 122.12 3i20 h ASP 49 Ca -0.08 0.04 0.26 0.00 0.43 0.00 0.00 57.03 57.67 3i20 h ASP 49 Cb 1.54 0.16 -0.16 0.00 -0.56 0.00 0.00 39.33 40.31 3i20 h ASP 49 CO 0.17 -0.33 0.16 0.58 -1.57 0.00 0.00 179.24 178.25 3i20 h VAL 50 N -0.51 0.18 0.14 -1.35 2.07 -0.16 0.30 116.25 116.92 3i20 h VAL 50 Ca -0.03 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3i20 h VAL 50 Cb 0.43 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3i20 h VAL 50 CO 0.02 0.02 -0.42 0.00 0.02 0.00 0.00 177.57 177.21 3i20 h ALA 51 N 1.87 -0.75 -0.71 1.67 0.00 -1.11 -0.42 119.26 119.82 3i20 h ALA 51 Ca 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 3i20 h ALA 51 Cb 1.22 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3i20 h ALA 51 CO -0.77 -0.99 0.34 0.00 0.00 0.00 0.00 179.25 177.84 3i20 h ARG 52 N -0.66 1.02 -0.98 0.00 3.08 -0.05 0.40 114.38 117.19 3i20 h ARG 52 Ca 0.02 -0.15 0.21 0.00 0.07 0.00 0.00 59.98 60.12 3i20 h ARG 52 Cb 0.68 -0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.43 3i20 h ARG 52 CO -0.23 0.80 0.56 0.28 -1.07 0.00 0.00 179.97 180.32 3i20 h VAL 53 N 0.99 0.63 0.11 2.04 2.07 -0.64 0.11 116.25 121.56 3i20 h VAL 53 Ca 0.24 -0.22 -0.30 0.00 0.82 0.00 0.00 66.70 67.24 3i20 h VAL 53 Cb 0.12 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3i20 h VAL 53 CO -0.03 0.12 -1.47 0.11 0.02 0.00 0.00 177.57 176.31 3i20 h LYS 54 N 0.65 0.24 0.36 1.57 1.57 0.11 -3.31 116.57 117.76 3i20 h LYS 54 Ca 0.59 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3i20 h LYS 54 Cb 1.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3i20 h LYS 54 CO -0.43 1.12 -0.22 1.15 -0.57 0.00 0.00 179.45 180.49 3i20 h THR 55 N 0.07 0.53 -3.99 -0.16 2.02 0.17 -2.73 112.91 108.82 3i20 h THR 55 Ca -0.22 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.42 3i20 h THR 55 Cb 2.00 0.53 0.11 0.00 -1.74 0.00 0.00 68.15 69.05 3i20 h THR 55 CO 0.17 0.00 0.65 -0.76 0.37 0.00 0.00 175.52 175.94 3i20 s LEU 56 N -10.15 4.08 0.00 2.58 1.02 0.32 -2.31 118.68 114.21 3i20 s LEU 56 Ca -0.16 2.78 0.00 0.00 0.02 0.00 0.00 54.13 56.78 3i20 s LEU 56 Cb 0.05 -4.02 0.00 0.00 0.02 0.00 0.00 46.19 42.24 3i20 s LEU 56 CO 0.64 -1.17 0.00 -0.11 0.02 0.00 0.00 176.35 175.73 3i20 n LEU 57 N -0.31 0.00 -0.97 1.79 7.94 -1.26 -4.57 117.00 119.61 3i20 n LEU 57 Ca 0.06 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.07 3i20 n LEU 57 Cb 0.43 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.65 3i20 n LEU 57 CO 0.56 0.00 0.72 -3.20 -1.11 0.00 0.00 177.39 174.36 3i20 n ASN 58 N 0.69 2.90 0.00 1.96 5.15 -1.03 -1.65 115.26 123.28 3i20 n ASN 58 Ca 0.00 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.06 3i20 n ASN 58 Cb 0.00 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3i20 n ASN 58 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i20 n GLU 59 N 1.12 3.18 0.11 1.20 -0.00 -0.98 -4.71 120.64 120.56 3i20 n GLU 59 Ca 0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 57.10 3i20 n GLU 59 Cb 0.51 -0.68 -0.15 0.00 -0.00 0.00 0.00 31.44 31.11 3i20 n GLU 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3i20 h LYS 60 N 0.00 0.47 -6.51 3.44 3.64 -1.79 -3.36 116.57 112.46 3i20 h LYS 60 Ca 0.00 -0.81 -0.46 0.00 -1.27 0.00 0.00 60.65 58.11 3i20 h LYS 60 Cb 0.00 0.30 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3i20 h LYS 60 CO 0.00 1.39 -0.21 0.00 -2.27 0.00 0.00 179.45 178.36 3i20 s ALA 61 N -2.59 3.86 0.00 5.00 0.00 -0.66 -4.29 121.76 123.08 3i20 s ALA 61 Ca -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3i20 s ALA 61 Cb 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3i20 s ALA 61 CO 0.90 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.93 3i20 n GLY 62 N -1.83 1.84 0.00 0.00 0.00 -1.26 -4.52 105.19 99.41 3i20 n GLY 62 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i20 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32