#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 1.04 -0.98 0.00 3.38 -2.04 0.30 115.31 117.01 3h1l h LEU 5 Ca 0.00 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3h1l h LEU 5 Cb 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3h1l h LEU 5 CO 0.00 0.85 0.64 -0.07 0.09 0.00 0.00 178.44 179.95 3h1l h LEU 6 N 1.15 1.14 0.00 1.67 3.38 -2.04 0.97 115.31 121.57 3h1l h LEU 6 Ca 0.29 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 3h1l h LEU 6 Cb 0.05 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.53 3h1l h LEU 6 CO -0.04 0.83 -0.66 0.03 0.09 0.00 0.00 178.44 178.69 3h1l h ARG 7 N 1.33 0.45 -0.79 1.13 3.08 -1.94 -0.76 114.38 116.88 3h1l h ARG 7 Ca 0.36 -0.48 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3h1l h ARG 7 Cb -0.13 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3h1l h ARG 7 CO -0.08 1.13 0.51 1.96 -1.07 0.00 0.00 179.97 182.43 3h1l h GLN 8 N -0.04 0.96 0.32 0.04 4.20 -0.14 -0.66 115.11 119.79 3h1l h GLN 8 Ca -0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3h1l h GLN 8 Cb 1.37 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3h1l h GLN 8 CO 0.13 0.63 -0.15 0.00 -0.67 0.00 0.00 178.83 178.77 3h1l h ALA 9 N 1.34 -0.43 0.06 3.87 0.00 0.92 -1.74 119.26 123.28 3h1l h ALA 9 Ca 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3h1l h ALA 9 Cb 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3h1l h ALA 9 CO -0.12 -0.56 -0.53 -0.92 0.00 0.00 0.00 179.25 177.13 3h1l h TYR 10 N -0.80 -1.55 -0.97 0.00 3.20 -0.97 0.95 116.97 116.84 3h1l h TYR 10 Ca -0.04 0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.02 3h1l h TYR 10 Cb 0.51 0.67 -0.08 0.00 1.54 0.00 0.00 36.73 39.37 3h1l h TYR 10 CO 0.03 -0.58 0.61 1.03 -1.64 0.00 0.00 178.16 177.60 3h1l h SER 11 N -0.71 0.80 0.16 -2.11 0.87 -1.18 -0.98 113.55 110.40 3h1l h SER 11 Ca 0.00 0.06 -0.35 0.00 -1.23 0.00 0.00 61.79 60.26 3h1l h SER 11 Cb 0.74 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 3h1l h SER 11 CO -0.32 0.39 -2.13 0.00 -0.53 0.00 0.00 176.83 174.23 3h1l n ALA 12 N -2.38 1.32 -0.01 6.23 0.00 -0.65 -4.68 120.51 120.34 3h1l n ALA 12 Ca 0.19 -0.93 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 3h1l n ALA 12 Cb 0.45 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 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 -3.15 0.39 0.25 0.00 4.77 0.32 -4.82 117.00 114.76 3h1l n LEU 13 Ca -0.32 0.06 0.17 0.00 -0.03 0.00 0.00 56.01 55.89 3h1l n LEU 13 Cb 1.06 -0.45 0.75 0.00 -2.33 0.00 0.00 43.42 42.46 3h1l n LEU 13 CO 0.39 -0.47 0.99 -0.26 -1.33 0.00 0.00 177.39 176.71 3h1l h PHE 14 N -0.17 0.00 0.00 -1.77 0.05 -1.31 -2.99 116.94 110.75 3h1l h PHE 14 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3h1l h PHE 14 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.12 3h1l h PHE 14 CO -0.07 0.00 0.00 -2.13 -0.18 0.00 0.00 178.31 175.93 3h1l n ARG 15 N -2.83 0.00 -1.60 1.51 0.63 -0.39 -4.63 116.66 109.35 3h1l n ARG 15 Ca -0.00 0.43 -0.44 0.00 -0.92 0.00 0.00 57.85 56.92 3h1l n ARG 15 Cb 0.21 -1.22 -0.03 0.00 0.45 0.00 0.00 32.46 31.87 3h1l n ARG 15 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3h1l n ARG 16 N -1.79 2.01 0.08 -0.14 5.12 -1.26 -4.85 116.66 115.83 3h1l n ARG 16 Ca 0.00 0.59 0.04 0.00 -1.93 0.00 0.00 57.85 56.55 3h1l n ARG 16 Cb 0.00 -3.14 0.23 0.00 -1.16 0.00 0.00 32.46 28.40 3h1l n ARG 16 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3h1l n THR 17 N 7.37 1.32 -0.01 0.55 -1.04 -1.26 -1.21 114.28 119.99 3h1l n THR 17 Ca 0.29 0.61 -0.22 0.00 -2.04 0.00 0.00 64.05 62.70 3h1l n THR 17 Cb 0.42 -1.61 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 3h1l n THR 17 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3h1l h SER 18 N 0.00 0.32 0.67 8.00 4.64 -1.92 -3.31 113.55 121.95 3h1l h SER 18 Ca 0.00 -0.82 -0.07 0.00 -0.47 0.00 0.00 61.79 60.43 3h1l h SER 18 Cb 0.18 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3h1l h SER 18 CO 0.00 1.68 -0.35 0.71 -0.87 0.00 0.00 176.83 178.01 3h1l h THR 19 N -0.30 0.94 -0.91 2.95 1.35 -1.44 -2.62 112.91 112.87 3h1l h THR 19 Ca -0.36 -1.35 0.01 0.00 -0.55 0.00 0.00 66.41 64.15 3h1l h THR 19 Cb 1.77 1.80 -0.04 0.00 -1.73 0.00 0.00 68.15 69.95 3h1l h THR 19 CO 0.02 0.34 0.60 0.15 -0.25 0.00 0.00 175.52 176.37 3h1l h PHE 20 N 0.00 1.16 0.33 4.73 3.04 -1.00 -1.59 116.94 123.61 3h1l h PHE 20 Ca -0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 3h1l h PHE 20 Cb 0.78 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.90 3h1l h PHE 20 CO 0.00 0.74 -0.16 0.00 -2.02 0.00 0.00 178.31 176.87 3h1l h ALA 21 N 1.33 -0.44 -1.08 2.41 0.00 -1.56 -2.20 119.26 117.72 3h1l h ALA 21 Ca 0.33 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.37 3h1l h ALA 21 Cb -0.13 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3h1l h ALA 21 CO -0.07 -0.63 0.72 -0.07 0.00 0.00 0.00 179.25 179.20 3h1l h LEU 22 N -0.68 0.28 -0.11 0.00 -0.00 -1.26 0.22 115.31 113.76 3h1l h LEU 22 Ca -0.05 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 3h1l h LEU 22 Cb 0.48 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 3h1l h LEU 22 CO 0.07 0.05 -0.11 0.74 -0.00 0.00 0.00 178.44 179.20 3h1l h THR 23 N 0.24 1.36 -0.74 0.22 2.02 -1.02 0.15 112.91 115.15 3h1l h THR 23 Ca 0.58 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3h1l h THR 23 Cb 1.76 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 70.10 3h1l h THR 23 CO -0.19 0.36 0.46 0.58 0.37 0.00 0.00 175.52 177.11 3h1l h VAL 24 N -0.15 1.20 0.19 3.16 2.07 -0.01 0.47 116.25 123.19 3h1l h VAL 24 Ca 0.02 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3h1l h VAL 24 Cb 0.63 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3h1l h VAL 24 CO 0.03 0.20 -0.09 0.58 0.02 0.00 0.00 177.57 178.31 3h1l h VAL 25 N 1.01 0.00 -0.97 2.57 2.07 -1.14 0.71 116.25 120.50 3h1l h VAL 25 Ca 0.27 -0.29 0.30 0.00 0.82 0.00 0.00 66.70 67.79 3h1l h VAL 25 Cb -0.08 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.54 3h1l h VAL 25 CO -0.05 0.00 0.46 0.25 0.02 0.00 0.00 177.57 178.25 3h1l h LEU 26 N -0.55 0.34 -0.04 2.57 7.12 -0.91 0.28 115.31 124.11 3h1l h LEU 26 Ca -0.03 0.20 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 3h1l h LEU 26 Cb 0.20 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 3h1l h LEU 26 CO 0.04 -0.16 -0.05 1.23 -0.13 0.00 0.00 178.44 179.37 3h1l h GLY 27 N 0.27 0.12 0.67 3.75 0.00 -0.09 -2.98 103.07 104.80 3h1l h GLY 27 Ca 0.68 -0.13 0.14 0.00 0.00 0.00 0.00 47.33 48.03 3h1l h GLY 27 CO -0.64 0.11 0.52 0.00 0.00 0.00 0.00 176.54 176.53 3h1l h ALA 28 N 0.52 2.04 0.29 3.60 0.00 0.11 0.18 119.26 126.00 3h1l h ALA 28 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h1l h ALA 28 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h1l h ALA 28 CO 0.01 -0.25 -0.14 0.28 0.00 0.00 0.00 179.25 179.16 3h1l h VAL 29 N 0.48 0.74 0.19 0.00 2.07 -1.12 -1.09 116.25 117.52 3h1l h VAL 29 Ca 0.38 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3h1l h VAL 29 Cb 0.80 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3h1l h VAL 29 CO -0.14 0.05 -0.09 -0.07 0.02 0.00 0.00 177.57 177.34 3h1l h LEU 30 N -0.50 -0.21 -0.76 2.57 3.38 -1.18 -2.68 115.31 115.93 3h1l h LEU 30 Ca -0.04 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.00 3h1l h LEU 30 Cb 0.37 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 3h1l h LEU 30 CO 0.07 -0.03 0.22 0.15 0.09 0.00 0.00 178.44 178.93 3h1l h PHE 31 N -0.38 0.34 0.00 1.13 3.57 -0.69 -2.35 116.94 118.56 3h1l h PHE 31 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3h1l h PHE 31 Cb 0.30 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3h1l h PHE 31 CO -0.03 -0.07 0.00 -1.91 -2.23 0.00 0.00 178.31 174.08 3h1l n GLU 32 N -5.13 0.00 -0.57 1.11 2.13 -0.42 -0.55 120.64 117.21 3h1l n GLU 32 Ca 0.15 0.50 0.46 0.00 0.66 0.00 0.00 57.16 58.93 3h1l n GLU 32 Cb 0.48 -1.49 0.74 0.00 0.27 0.00 0.00 31.44 31.45 3h1l n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3h1l h ARG 33 N 0.00 0.00 0.03 5.31 2.43 -1.26 1.00 114.38 121.89 3h1l h ARG 33 Ca 0.00 -0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3h1l h ARG 33 Cb 0.00 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3h1l h ARG 33 CO 0.00 0.00 -1.19 0.00 -1.51 0.00 0.00 179.97 177.27 3h1l h ALA 34 N 1.36 0.23 -0.06 2.80 0.00 -1.36 -3.24 119.26 118.99 3h1l h ALA 34 Ca 0.91 -1.12 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3h1l h ALA 34 Cb 3.25 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 21.64 3h1l h ALA 34 CO -0.28 0.69 0.05 0.35 0.00 0.00 0.00 179.25 180.05 3h1l h PHE 35 N -0.81 0.00 0.45 0.00 3.57 0.69 -1.43 116.94 119.41 3h1l h PHE 35 Ca -0.31 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.17 3h1l h PHE 35 Cb 1.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.14 3h1l h PHE 35 CO 0.12 0.00 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.55 3h1l h ASP 36 N 0.00 -0.51 -0.15 0.41 3.32 -1.02 -2.56 116.42 115.91 3h1l h ASP 36 Ca 0.03 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.07 3h1l h ASP 36 Cb 0.12 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 3h1l h ASP 36 CO -0.00 -0.09 -0.32 1.56 -1.72 0.00 0.00 179.24 178.66 3h1l h GLN 37 N -1.09 -0.38 -0.46 3.56 4.20 -1.53 -1.37 115.11 118.05 3h1l h GLN 37 Ca -0.06 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.74 3h1l h GLN 37 Cb 0.54 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.31 3h1l h GLN 37 CO 0.10 -0.25 -0.46 0.78 -0.67 0.00 0.00 178.83 178.33 3h1l h GLY 38 N -0.39 -0.63 0.94 3.46 0.00 -1.36 0.56 103.07 105.66 3h1l h GLY 38 Ca 0.10 0.59 0.01 0.00 0.00 0.00 0.00 47.33 48.03 3h1l h GLY 38 CO -0.37 -0.16 0.27 0.00 0.00 0.00 0.00 176.54 176.28 3h1l h ALA 39 N 0.38 0.54 -0.71 3.60 0.00 -1.15 0.44 119.26 122.37 3h1l h ALA 39 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h1l h ALA 39 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3h1l h ALA 39 CO -0.61 -0.04 0.30 -0.44 0.00 0.00 0.00 179.25 178.46 3h1l h ASP 40 N 0.54 0.95 -0.39 0.00 3.32 -0.71 0.19 116.42 120.32 3h1l h ASP 40 Ca 0.16 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3h1l h ASP 40 Cb -0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3h1l h ASP 40 CO -0.06 0.83 0.15 0.00 -1.72 0.00 0.00 179.24 178.44 3h1l h ALA 41 N 1.31 0.51 -0.26 3.45 0.00 0.10 0.11 119.26 124.48 3h1l h ALA 41 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h1l h ALA 41 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h1l h ALA 41 CO -0.02 0.13 0.14 0.82 0.00 0.00 0.00 179.25 180.31 3h1l h ILE 42 N 0.49 1.12 -0.16 0.00 2.04 0.67 -2.22 117.51 119.44 3h1l h ILE 42 Ca 0.13 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3h1l h ILE 42 Cb 0.21 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3h1l h ILE 42 CO -0.01 0.12 0.05 0.15 0.00 0.00 0.00 178.15 178.46 3h1l h PHE 43 N 0.31 0.27 -0.80 1.37 3.57 -0.44 -1.60 116.94 119.62 3h1l h PHE 43 Ca 0.09 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3h1l h PHE 43 Cb 0.07 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3h1l h PHE 43 CO -0.03 0.37 0.46 0.93 -2.23 0.00 0.00 178.31 177.81 3h1l h GLU 44 N 0.08 1.10 -0.33 1.11 5.08 -0.79 -2.50 114.58 118.33 3h1l h GLU 44 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3h1l h GLU 44 Cb 0.24 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3h1l h GLU 44 CO -0.00 0.79 0.21 1.25 -1.00 0.00 0.00 179.01 180.26 3h1l h HIS 45 N 1.10 0.42 0.00 4.33 2.76 -1.30 -1.76 115.15 120.70 3h1l h HIS 45 Ca 0.28 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3h1l h HIS 45 Cb -0.00 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3h1l h HIS 45 CO -0.00 0.28 0.00 1.28 -1.30 0.00 0.00 177.93 178.19 3h1l n LEU 46 N -4.85 0.11 -2.81 0.26 4.77 -0.61 -2.86 117.00 111.02 3h1l n LEU 46 Ca -0.01 0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 56.34 3h1l n LEU 46 Cb 0.04 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3h1l n LEU 46 CO 0.34 -0.51 -0.04 0.59 -1.33 0.00 0.00 177.39 176.44 3h1l n ASN 47 N -1.64 2.43 -4.78 -1.43 3.02 -0.67 -5.09 115.26 107.10 3h1l n ASN 47 Ca 0.01 -3.15 -0.41 0.00 -0.03 0.00 0.00 54.58 51.00 3h1l n ASN 47 Cb 0.05 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -3.07 4.12 -0.24 3.52 0.41 -1.13 -2.86 118.70 119.44 3h1l s GLU 48 Ca 0.38 2.48 0.00 0.00 -0.41 0.00 0.00 54.97 57.42 3h1l s GLU 48 Cb 0.39 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 3h1l s GLU 48 CO -0.07 -0.49 0.00 0.41 -0.49 0.00 0.00 175.26 174.63 3h1l n GLY 49 N 0.54 0.21 0.03 -1.39 0.00 -1.26 -4.76 105.19 98.56 3h1l n GLY 49 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.58 0.91 -2.83 1.61 5.02 -1.14 -4.72 118.16 117.59 3h1l n LYS 50 Ca -0.02 -0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 55.87 3h1l n LYS 50 Cb 0.49 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 -4.40 3.83 0.57 -0.35 1.43 -1.25 -4.94 118.68 113.57 3h1l s LEU 51 Ca -0.06 1.20 0.38 0.00 -1.03 0.00 0.00 54.13 54.61 3h1l s LEU 51 Cb 0.08 -4.08 1.88 0.00 0.03 0.00 0.00 46.19 44.10 3h1l s LEU 51 CO 0.61 -0.40 2.14 -0.25 0.23 0.00 0.00 176.35 178.67 3h1l h TRP 52 N 1.31 0.00 -0.05 0.29 2.91 -1.97 -0.11 115.95 118.33 3h1l h TRP 52 Ca -0.47 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.51 3h1l h TRP 52 Cb 1.19 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 3h1l h TRP 52 CO 0.61 0.00 -0.15 -0.22 -1.03 0.00 0.00 178.44 177.65 3h1l h LYS 53 N 0.00 0.07 0.00 2.65 3.64 -2.00 -0.86 116.57 120.07 3h1l h LYS 53 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3h1l h LYS 53 Cb 0.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3h1l h LYS 53 CO 0.00 0.22 -0.22 0.45 -2.27 0.00 0.00 179.45 177.63 3h1l h HIS 54 N 0.07 0.00 -0.70 1.91 3.86 -1.40 -3.39 115.15 115.49 3h1l h HIS 54 Ca 0.01 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.37 3h1l h HIS 54 Cb 0.31 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.65 3h1l h HIS 54 CO 0.00 0.00 -0.07 0.82 0.86 0.00 0.00 177.93 179.54 3h1l h ILE 55 N -0.78 0.36 0.00 2.45 1.08 -1.51 -3.29 117.51 115.82 3h1l h ILE 55 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3h1l h ILE 55 Cb 0.22 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 3h1l h ILE 55 CO 0.00 0.01 0.00 1.17 -0.69 0.00 0.00 178.15 178.64 3h1l n LYS 56 N -5.38 0.00 0.25 2.37 4.81 -0.33 -1.04 118.16 118.83 3h1l n LYS 56 Ca 0.11 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.72 3h1l n LYS 56 Cb 0.40 0.00 0.80 0.00 0.02 0.00 0.00 35.03 36.25 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 -2.76 115.15 118.26 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 -0.22 0.87 -3.07 0.00 0.00 177.93 175.51 3h1l h LYS 58 N 0.00 0.00 0.00 5.12 1.57 -1.38 -3.28 116.57 118.60 3h1l h LYS 58 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3h1l h LYS 58 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3h1l h LYS 58 CO -0.00 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 179.76 3h1l n TYR 59 N -3.64 0.00 0.00 -1.35 4.02 -1.06 -5.02 117.16 110.11 3h1l n TYR 59 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3h1l n TYR 59 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 3h1l n TYR 59 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1l n GLU 60 N -0.16 0.00 0.00 -0.72 -0.58 -1.11 -5.04 120.64 113.03 3h1l n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3h1l n GLU 60 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 3h1l n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1l n ALA 61 N -3.00 2.50 -0.21 0.62 0.00 -1.26 -5.11 120.51 114.05 3h1l n ALA 61 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3h1l n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3h1l n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37