#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l h LEU 5 N 0.00 0.85 -0.46 0.00 3.38 -2.04 -0.51 115.31 116.53 3h1l h LEU 5 Ca 0.00 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.80 3h1l h LEU 5 Cb 0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3h1l h LEU 5 CO 0.00 0.88 0.09 -0.07 0.09 0.00 0.00 178.44 179.43 3h1l h LEU 6 N 0.79 0.00 -0.20 1.67 3.38 -2.04 1.23 115.31 120.14 3h1l h LEU 6 Ca 0.17 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3h1l h LEU 6 Cb 0.38 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3h1l h LEU 6 CO 0.01 0.03 -0.23 0.03 0.09 0.00 0.00 178.44 178.37 3h1l h ARG 7 N 0.22 0.51 -0.62 1.13 3.08 -1.96 0.24 114.38 116.99 3h1l h ARG 7 Ca 0.23 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3h1l h ARG 7 Cb 0.29 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 3h1l h ARG 7 CO -0.30 0.87 0.33 1.96 -1.07 0.00 0.00 179.97 181.76 3h1l h GLN 8 N 0.18 0.61 0.07 0.04 4.20 -0.09 0.53 115.11 120.64 3h1l h GLN 8 Ca 0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3h1l h GLN 8 Cb 0.79 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3h1l h GLN 8 CO 0.06 0.40 -0.03 0.00 -0.67 0.00 0.00 178.83 178.59 3h1l h ALA 9 N 1.32 -0.09 0.33 3.87 0.00 0.15 -1.59 119.26 123.26 3h1l h ALA 9 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h1l h ALA 9 Cb 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3h1l h ALA 9 CO -0.17 -0.38 -0.41 -0.92 0.00 0.00 0.00 179.25 177.36 3h1l h TYR 10 N -0.43 -1.14 -0.96 0.00 3.20 -0.66 0.90 116.97 117.89 3h1l h TYR 10 Ca -0.01 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3h1l h TYR 10 Cb 0.38 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 39.02 3h1l h TYR 10 CO 0.04 -0.55 0.61 1.03 -1.64 0.00 0.00 178.16 177.65 3h1l h SER 11 N -0.79 0.88 0.13 -2.11 0.87 -0.94 -0.68 113.55 110.90 3h1l h SER 11 Ca -0.02 0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.21 3h1l h SER 11 Cb 0.73 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3h1l h SER 11 CO -0.11 0.49 -2.10 0.00 -0.53 0.00 0.00 176.83 174.59 3h1l n ALA 12 N -2.38 1.09 -0.04 6.23 0.00 -0.60 -4.65 120.51 120.16 3h1l n ALA 12 Ca 0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 53.44 52.82 3h1l n ALA 12 Cb 0.33 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 3h1l n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1l n LEU 13 N -3.36 1.05 0.29 0.00 4.77 0.31 -4.81 117.00 115.25 3h1l n LEU 13 Ca -0.34 0.17 0.18 0.00 -0.03 0.00 0.00 56.01 56.00 3h1l n LEU 13 Cb 1.04 -0.57 0.76 0.00 -2.33 0.00 0.00 43.42 42.32 3h1l n LEU 13 CO 0.39 -0.41 1.02 -0.26 -1.33 0.00 0.00 177.39 176.80 3h1l h PHE 14 N -0.49 0.00 0.29 -1.77 0.05 -1.35 -2.80 116.94 110.88 3h1l h PHE 14 Ca 0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 3h1l h PHE 14 Cb 0.49 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.44 3h1l h PHE 14 CO -0.21 0.00 -0.14 -0.09 -0.18 0.00 0.00 178.31 177.69 3h1l h ARG 15 N 0.00 -0.37 -6.35 1.51 2.43 -1.39 -3.42 114.38 106.79 3h1l h ARG 15 Ca -0.00 0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.63 3h1l h ARG 15 Cb 0.45 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3h1l h ARG 15 CO 0.00 -0.25 1.19 1.03 -1.51 0.00 0.00 179.97 180.43 3h1l s ARG 16 N -3.09 3.34 0.00 0.20 0.52 -1.26 -4.86 118.95 113.80 3h1l s ARG 16 Ca -0.06 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 3h1l s ARG 16 Cb 0.01 -4.14 0.00 0.00 0.52 0.00 0.00 34.95 31.33 3h1l s ARG 16 CO 0.17 -1.86 0.67 2.41 0.02 0.00 0.00 175.30 176.71 3h1l n THR 17 N 7.20 0.73 -0.05 0.02 -1.04 -1.26 0.52 114.28 120.40 3h1l n THR 17 Ca 0.19 0.47 -0.19 0.00 -2.04 0.00 0.00 64.05 62.48 3h1l n THR 17 Cb 0.48 -1.47 -0.13 0.00 -1.82 0.00 0.00 70.33 67.39 3h1l n THR 17 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3h1l n SER 18 N -1.17 1.95 0.17 8.00 3.41 -1.26 -3.79 113.62 120.94 3h1l n SER 18 Ca 0.00 0.07 0.04 0.00 -0.26 0.00 0.00 58.87 58.72 3h1l n SER 18 Cb 0.29 -0.59 0.27 0.00 -0.26 0.00 0.00 64.21 63.91 3h1l n SER 18 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3h1l h THR 19 N 0.04 0.99 -0.39 6.66 1.35 -0.16 -2.90 112.91 118.50 3h1l h THR 19 Ca -0.49 -1.73 0.02 0.00 -0.55 0.00 0.00 66.41 63.66 3h1l h THR 19 Cb 1.99 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 70.41 3h1l h THR 19 CO 0.02 0.43 0.22 0.15 -0.25 0.00 0.00 175.52 176.09 3h1l h PHE 20 N 0.00 0.41 -0.28 4.73 3.04 -0.82 -1.47 116.94 122.55 3h1l h PHE 20 Ca -0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 3h1l h PHE 20 Cb 1.00 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 3h1l h PHE 20 CO 0.00 0.23 0.16 0.00 -2.02 0.00 0.00 178.31 176.69 3h1l h ALA 21 N 1.18 0.35 -0.66 2.41 0.00 -1.61 -2.06 119.26 118.88 3h1l h ALA 21 Ca 0.16 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3h1l h ALA 21 Cb 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3h1l h ALA 21 CO -0.08 -0.14 0.44 -0.07 0.00 0.00 0.00 179.25 179.40 3h1l h LEU 22 N 0.35 0.43 -0.14 0.00 -0.00 -1.30 -1.02 115.31 113.62 3h1l h LEU 22 Ca 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.95 3h1l h LEU 22 Cb 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.61 3h1l h LEU 22 CO -0.02 0.25 -0.06 0.74 -0.00 0.00 0.00 178.44 179.35 3h1l h THR 23 N 0.47 1.31 -0.68 0.22 2.02 -0.74 0.34 112.91 115.85 3h1l h THR 23 Ca 0.31 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.44 3h1l h THR 23 Cb 0.57 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 3h1l h THR 23 CO -0.09 0.32 0.42 0.58 0.37 0.00 0.00 175.52 177.11 3h1l h VAL 24 N -0.05 1.06 0.51 3.16 2.07 -0.65 0.71 116.25 123.06 3h1l h VAL 24 Ca 0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3h1l h VAL 24 Cb 0.52 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3h1l h VAL 24 CO 0.02 0.15 -0.24 0.58 0.02 0.00 0.00 177.57 178.09 3h1l h VAL 25 N 0.80 0.11 -0.91 2.57 2.07 -1.18 0.19 116.25 119.90 3h1l h VAL 25 Ca 0.28 -0.51 0.18 0.00 0.82 0.00 0.00 66.70 67.47 3h1l h VAL 25 Cb 0.06 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 29.89 3h1l h VAL 25 CO -0.12 0.02 0.49 0.25 0.02 0.00 0.00 177.57 178.22 3h1l h LEU 26 N -1.14 0.57 0.17 2.57 7.12 -0.87 -1.54 115.31 122.20 3h1l h LEU 26 Ca -0.07 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 3h1l h LEU 26 Cb 0.56 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 3h1l h LEU 26 CO 0.11 0.19 -0.08 1.23 -0.13 0.00 0.00 178.44 179.76 3h1l h GLY 27 N 0.62 -0.24 -0.06 3.75 0.00 0.47 -2.88 103.07 104.73 3h1l h GLY 27 Ca 0.52 0.09 0.22 0.00 0.00 0.00 0.00 47.33 48.17 3h1l h GLY 27 CO -0.40 -0.09 0.58 0.00 0.00 0.00 0.00 176.54 176.62 3h1l h ALA 28 N 0.15 1.71 0.20 3.60 0.00 0.03 0.35 119.26 125.30 3h1l h ALA 28 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h1l h ALA 28 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h1l h ALA 28 CO 0.04 -0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.26 3h1l h VAL 29 N 0.62 0.80 0.12 0.00 2.07 -1.23 0.13 116.25 118.77 3h1l h VAL 29 Ca 0.61 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 68.11 3h1l h VAL 29 Cb 1.10 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3h1l h VAL 29 CO -0.45 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.01 3h1l h LEU 30 N -0.28 -0.14 -0.75 2.57 3.38 -0.99 -2.72 115.31 116.38 3h1l h LEU 30 Ca -0.03 -0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.00 3h1l h LEU 30 Cb 0.22 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 3h1l h LEU 30 CO 0.05 0.02 0.17 0.15 0.09 0.00 0.00 178.44 178.92 3h1l h PHE 31 N -0.30 0.27 0.00 1.13 3.57 -0.28 -2.43 116.94 118.90 3h1l h PHE 31 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3h1l h PHE 31 Cb 0.24 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3h1l h PHE 31 CO -0.03 -0.10 0.00 -1.91 -2.23 0.00 0.00 178.31 174.04 3h1l n GLU 32 N -5.17 0.00 -0.36 1.11 2.13 0.02 -0.26 120.64 118.11 3h1l n GLU 32 Ca 0.15 0.30 0.31 0.00 0.66 0.00 0.00 57.16 58.58 3h1l n GLU 32 Cb 0.48 -1.24 0.53 0.00 0.27 0.00 0.00 31.44 31.47 3h1l n GLU 32 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3h1l n ARG 33 N -1.31 -0.03 -0.07 5.31 0.63 -1.04 -0.63 116.66 119.52 3h1l n ARG 33 Ca 0.00 0.99 -0.19 0.00 -0.92 0.00 0.00 57.85 57.72 3h1l n ARG 33 Cb 0.00 -1.94 -0.13 0.00 0.45 0.00 0.00 32.46 30.85 3h1l n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1l h ALA 34 N 1.27 0.16 -0.32 5.13 0.00 -1.31 -3.20 119.26 120.99 3h1l h ALA 34 Ca 0.69 -0.97 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3h1l h ALA 34 Cb 2.19 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 20.42 3h1l h ALA 34 CO -0.38 0.53 0.22 0.35 0.00 0.00 0.00 179.25 179.96 3h1l h PHE 35 N -0.82 0.25 0.46 0.00 3.57 0.18 -1.48 116.94 119.09 3h1l h PHE 35 Ca -0.23 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 3h1l h PHE 35 Cb 1.33 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3h1l h PHE 35 CO 0.16 0.14 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.72 3h1l h ASP 36 N 0.25 -0.52 -0.08 0.41 3.32 -1.00 -2.44 116.42 116.37 3h1l h ASP 36 Ca 0.14 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3h1l h ASP 36 Cb 0.24 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 3h1l h ASP 36 CO -0.03 -0.14 -0.34 1.56 -1.72 0.00 0.00 179.24 178.58 3h1l h GLN 37 N -0.98 -0.43 -0.52 3.56 4.20 -1.48 -1.30 115.11 118.17 3h1l h GLN 37 Ca -0.06 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.76 3h1l h GLN 37 Cb 0.58 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 3h1l h GLN 37 CO 0.10 -0.29 -0.41 0.78 -0.67 0.00 0.00 178.83 178.34 3h1l h GLY 38 N -0.45 -0.44 1.00 3.46 0.00 -1.34 0.55 103.07 105.86 3h1l h GLY 38 Ca 0.08 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3h1l h GLY 38 CO -0.33 -0.18 0.02 0.00 0.00 0.00 0.00 176.54 176.05 3h1l h ALA 39 N 0.61 0.03 -0.97 3.60 0.00 -1.16 0.39 119.26 121.76 3h1l h ALA 39 Ca 0.17 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3h1l h ALA 39 Cb 0.57 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3h1l h ALA 39 CO -0.64 -0.47 0.63 -0.44 0.00 0.00 0.00 179.25 178.33 3h1l h ASP 40 N 0.03 1.04 -0.51 0.00 3.32 -0.74 0.39 116.42 119.96 3h1l h ASP 40 Ca 0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3h1l h ASP 40 Cb -0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3h1l h ASP 40 CO -0.00 0.70 0.10 0.00 -1.72 0.00 0.00 179.24 178.32 3h1l h ALA 41 N 1.45 0.67 -0.42 3.45 0.00 0.76 0.37 119.26 125.54 3h1l h ALA 41 Ca 0.39 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h1l h ALA 41 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h1l h ALA 41 CO -0.13 0.39 0.08 0.82 0.00 0.00 0.00 179.25 180.42 3h1l h ILE 42 N 0.71 1.24 0.03 0.00 2.04 0.11 -2.50 117.51 119.14 3h1l h ILE 42 Ca 0.16 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3h1l h ILE 42 Cb 0.37 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3h1l h ILE 42 CO 0.01 0.29 -0.02 0.15 0.00 0.00 0.00 178.15 178.58 3h1l h PHE 43 N 0.55 -0.04 -0.99 1.37 3.57 -0.01 -2.04 116.94 119.34 3h1l h PHE 43 Ca 0.13 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3h1l h PHE 43 Cb 0.35 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3h1l h PHE 43 CO 0.02 0.14 0.65 0.93 -2.23 0.00 0.00 178.31 177.83 3h1l h GLU 44 N -0.22 1.27 -0.36 1.11 5.08 -0.97 -2.27 114.58 118.23 3h1l h GLU 44 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3h1l h GLU 44 Cb 0.20 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3h1l h GLU 44 CO 0.01 0.84 0.21 1.25 -1.00 0.00 0.00 179.01 180.32 3h1l h HIS 45 N 1.31 0.49 0.00 4.33 2.76 -1.35 -1.65 115.15 121.04 3h1l h HIS 45 Ca 0.37 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3h1l h HIS 45 Cb -0.10 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.70 3h1l h HIS 45 CO -0.00 0.37 0.00 1.28 -1.30 0.00 0.00 177.93 178.28 3h1l n LEU 46 N -4.78 0.42 -2.75 0.26 4.77 -0.78 -2.77 117.00 111.37 3h1l n LEU 46 Ca -0.00 0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 56.44 3h1l n LEU 46 Cb 0.07 -0.69 -0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3h1l n LEU 46 CO 0.35 -0.73 0.01 0.59 -1.33 0.00 0.00 177.39 176.28 3h1l n ASN 47 N -2.03 3.00 -4.77 -1.43 3.02 -0.63 -5.10 115.26 107.32 3h1l n ASN 47 Ca -0.00 -3.29 -0.40 0.00 -0.03 0.00 0.00 54.58 50.86 3h1l n ASN 47 Cb 0.07 -0.53 0.01 0.00 -0.61 0.00 0.00 39.78 38.72 3h1l n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h1l s GLU 48 N -3.20 3.86 0.00 3.52 0.41 -1.11 -2.87 118.70 119.30 3h1l s GLU 48 Ca 0.41 2.33 0.00 0.00 -0.41 0.00 0.00 54.97 57.29 3h1l s GLU 48 Cb 0.38 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 3h1l s GLU 48 CO -0.09 -0.64 0.00 0.41 -0.49 0.00 0.00 175.26 174.44 3h1l n GLY 49 N 0.61 0.06 0.06 -1.39 0.00 -1.26 -4.75 105.19 98.52 3h1l n GLY 49 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 3h1l n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1l n LYS 50 N -1.03 0.94 -2.32 1.61 5.02 -1.14 -4.70 118.16 116.54 3h1l n LYS 50 Ca 0.00 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3h1l n LYS 50 Cb 0.17 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3h1l n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1l s LEU 51 N -5.00 3.55 0.57 -0.35 1.43 -1.25 -4.92 118.68 112.70 3h1l s LEU 51 Ca -0.08 1.45 0.35 0.00 -1.03 0.00 0.00 54.13 54.82 3h1l s LEU 51 Cb 0.07 -4.41 1.70 0.00 0.03 0.00 0.00 46.19 43.58 3h1l s LEU 51 CO 0.75 -0.64 2.12 -0.25 0.23 0.00 0.00 176.35 178.56 3h1l h TRP 52 N 0.60 0.00 -0.29 0.29 2.91 -1.97 -0.61 115.95 116.88 3h1l h TRP 52 Ca -0.46 0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.57 3h1l h TRP 52 Cb 1.19 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 3h1l h TRP 52 CO 0.64 0.05 0.19 -0.22 -1.03 0.00 0.00 178.44 178.07 3h1l h LYS 53 N 0.00 0.35 0.00 2.65 3.64 -2.00 0.01 116.57 121.23 3h1l h LYS 53 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3h1l h LYS 53 Cb 0.31 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3h1l h LYS 53 CO 0.01 0.23 -0.38 0.45 -2.27 0.00 0.00 179.45 177.49 3h1l h HIS 54 N 0.36 0.00 -0.55 1.91 3.86 -1.49 -3.38 115.15 115.86 3h1l h HIS 54 Ca 0.11 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 3h1l h HIS 54 Cb 0.01 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.40 3h1l h HIS 54 CO -0.00 0.33 0.11 0.82 0.86 0.00 0.00 177.93 180.05 3h1l h ILE 55 N -1.00 0.67 0.00 2.45 1.08 -1.46 -3.32 117.51 115.94 3h1l h ILE 55 Ca -0.05 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3h1l h ILE 55 Cb 0.50 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3h1l h ILE 55 CO -0.03 0.04 0.00 1.17 -0.69 0.00 0.00 178.15 178.64 3h1l n LYS 56 N -5.13 0.00 0.26 2.37 4.81 -0.01 -1.22 118.16 119.24 3h1l n LYS 56 Ca 0.07 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.69 3h1l n LYS 56 Cb 0.29 0.00 0.88 0.00 0.02 0.00 0.00 35.03 36.22 3h1l n LYS 56 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 3h1l h HIS 57 N 0.00 0.00 0.00 5.64 2.07 -1.84 -2.28 115.15 118.74 3h1l h HIS 57 Ca 0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 3h1l h HIS 57 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3h1l h HIS 57 CO 0.00 0.00 -0.24 0.87 -3.07 0.00 0.00 177.93 175.49 3h1l h LYS 58 N 0.00 0.00 0.00 5.12 1.57 -1.46 -3.34 116.57 118.45 3h1l h LYS 58 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3h1l h LYS 58 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3h1l h LYS 58 CO -0.00 0.24 -0.64 0.66 -0.57 0.00 0.00 179.45 179.14 3h1l n TYR 59 N -3.72 0.00 -2.09 -1.35 4.02 -1.09 -4.66 117.16 108.27 3h1l n TYR 59 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 3h1l n TYR 59 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.63 3h1l n TYR 59 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3h1l s GLU 60 N -1.37 2.66 -1.83 -0.72 2.56 -0.88 -3.61 118.70 115.50 3h1l s GLU 60 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.88 3h1l s GLU 60 Cb 0.00 -4.87 0.00 0.00 2.00 0.00 0.00 34.13 31.26 3h1l s GLU 60 CO 0.00 -3.09 0.00 0.00 -0.56 0.00 0.00 175.26 171.61 3h1l n ALA 61 N 13.18 -0.26 -0.06 6.30 0.00 -1.26 -4.82 120.51 133.58 3h1l n ALA 61 Ca 0.33 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.96 3h1l n ALA 61 Cb 0.49 -1.93 -0.15 0.00 0.00 0.00 0.00 19.45 17.86 3h1l n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1l n SER 62 N -1.23 0.50 -4.50 0.00 2.88 -1.24 -4.91 113.62 105.13 3h1l n SER 62 Ca -0.17 0.24 -0.33 0.00 -1.33 0.00 0.00 58.87 57.27 3h1l n SER 62 Cb 0.64 0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 64.37 3h1l n SER 62 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3h1l s GLU 63 N -2.55 2.54 0.00 -1.46 2.02 -1.26 -5.04 118.70 112.94 3h1l s GLU 63 Ca -0.07 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3h1l s GLU 63 Cb 0.07 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.89 3h1l s GLU 63 CO 0.83 0.63 0.00 0.39 0.02 0.00 0.00 175.26 177.13