#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k h LEU 5 N 0.00 0.58 -0.99 0.00 3.38 -2.04 -0.64 115.31 115.60 3h1k h LEU 5 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3h1k h LEU 5 Cb 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3h1k h LEU 5 CO 0.00 0.48 0.56 -0.07 0.09 0.00 0.00 178.44 179.50 3h1k h LEU 6 N 0.62 1.11 0.00 1.67 3.38 -2.04 1.39 115.31 121.45 3h1k h LEU 6 Ca 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h1k h LEU 6 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3h1k h LEU 6 CO -0.03 0.85 0.00 -1.14 0.09 0.00 0.00 178.44 178.21 3h1k n ARG 7 N -4.36 0.00 -0.29 1.13 0.63 -1.09 -0.98 116.66 111.69 3h1k n ARG 7 Ca 0.10 0.37 0.29 0.00 -0.92 0.00 0.00 57.85 57.69 3h1k n ARG 7 Cb 0.06 -1.24 0.53 0.00 0.45 0.00 0.00 32.46 32.26 3h1k n ARG 7 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3h1k n GLN 8 N -1.60 -0.06 0.38 -0.14 6.02 -0.27 0.32 117.38 122.05 3h1k n GLN 8 Ca 0.00 1.26 -0.16 0.00 -0.01 0.00 0.00 57.00 58.10 3h1k n GLN 8 Cb 0.00 -2.26 -0.08 0.00 1.02 0.00 0.00 30.24 28.92 3h1k n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h1k h ALA 9 N 1.83 -1.00 0.00 -1.58 0.00 0.20 -1.79 119.26 116.92 3h1k h ALA 9 Ca 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3h1k h ALA 9 Cb 2.03 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.21 3h1k h ALA 9 CO -0.71 -0.95 0.37 -0.92 0.00 0.00 0.00 179.25 177.05 3h1k h TYR 10 N -1.23 0.00 0.00 0.00 3.20 0.17 0.21 116.97 119.31 3h1k h TYR 10 Ca -0.10 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 3h1k h TYR 10 Cb 0.78 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 3h1k h TYR 10 CO 0.00 0.00 -0.53 0.77 -1.64 0.00 0.00 178.16 176.76 3h1k h SER 11 N 0.00 0.00 1.41 -2.11 0.02 -0.78 -3.00 113.55 109.09 3h1k h SER 11 Ca 0.00 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3h1k h SER 11 Cb 0.74 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3h1k h SER 11 CO 0.00 0.80 -0.60 0.00 -1.14 0.00 0.00 176.83 175.89 3h1k h ALA 12 N -0.95 0.64 -3.00 3.77 0.00 -1.12 -3.38 119.26 115.21 3h1k h ALA 12 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3h1k h ALA 12 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h1k h ALA 12 CO -0.02 0.71 0.00 1.28 0.00 0.00 0.00 179.25 181.22 3h1k n LEU 13 N -3.23 0.00 0.00 0.00 4.77 0.71 -4.76 117.00 114.49 3h1k n LEU 13 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 3h1k n LEU 13 Cb 0.76 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.89 3h1k n LEU 13 CO 0.41 0.00 0.24 0.49 -1.33 0.00 0.00 177.39 177.21 3h1k n PHE 14 N -0.81 0.00 0.00 -1.77 0.99 -1.08 -2.83 117.46 111.96 3h1k n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3h1k n PHE 14 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3h1k n PHE 14 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3h1k n ARG 15 N -0.91 0.00 -1.71 -1.08 3.00 -1.13 -4.80 116.66 110.03 3h1k n ARG 15 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.49 3h1k n ARG 15 Cb 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 32.46 32.30 3h1k n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3h1k n ARG 16 N -0.01 1.11 0.00 -0.14 1.74 -1.26 -4.84 116.66 113.26 3h1k n ARG 16 Ca 0.00 0.43 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 3h1k n ARG 16 Cb 0.00 -2.48 0.47 0.00 -1.02 0.00 0.00 32.46 29.43 3h1k n ARG 16 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3h1k n THR 17 N -1.85 0.50 -0.03 0.55 -1.04 -1.26 -2.42 114.28 108.72 3h1k n THR 17 Ca 0.15 0.12 -0.00 0.00 -2.04 0.00 0.00 64.05 62.29 3h1k n THR 17 Cb 0.48 -0.76 -0.00 0.00 -1.82 0.00 0.00 70.33 68.23 3h1k n THR 17 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3h1k h SER 18 N 0.00 0.00 -0.13 8.00 4.64 -1.92 -2.89 113.55 121.25 3h1k h SER 18 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3h1k h SER 18 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3h1k h SER 18 CO 0.00 0.34 0.11 0.71 -0.87 0.00 0.00 176.83 177.12 3h1k h THR 19 N -0.65 0.72 0.26 2.95 1.35 -1.81 0.52 112.91 116.25 3h1k h THR 19 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3h1k h THR 19 Cb 0.03 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3h1k h THR 19 CO 0.00 0.00 -0.14 0.15 -0.25 0.00 0.00 175.52 175.28 3h1k h PHE 20 N 0.00 -0.36 -0.41 4.73 3.04 -1.32 -0.03 116.94 122.59 3h1k h PHE 20 Ca 0.06 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.07 3h1k h PHE 20 Cb 0.28 0.12 -0.09 0.00 2.56 0.00 0.00 35.95 38.83 3h1k h PHE 20 CO 0.00 -0.22 -0.47 0.00 -2.02 0.00 0.00 178.31 175.61 3h1k h ALA 21 N -1.78 -0.53 -1.32 2.41 0.00 -1.19 0.33 119.26 117.20 3h1k h ALA 21 Ca -0.04 0.05 0.39 0.00 0.00 0.00 0.00 54.91 55.31 3h1k h ALA 21 Cb 0.29 0.96 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 3h1k h ALA 21 CO 0.05 -0.92 0.90 1.25 0.00 0.00 0.00 179.25 180.53 3h1k h LEU 22 N -0.35 0.18 0.32 0.00 6.46 -0.84 0.15 115.31 121.23 3h1k h LEU 22 Ca 0.12 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 3h1k h LEU 22 Cb 0.59 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3h1k h LEU 22 CO -0.59 -0.03 -0.15 0.74 -0.62 0.00 0.00 178.44 177.79 3h1k h THR 23 N 0.12 0.41 -0.93 1.05 2.02 0.16 -2.81 112.91 112.93 3h1k h THR 23 Ca 0.71 -0.78 0.16 0.00 0.77 0.00 0.00 66.41 67.26 3h1k h THR 23 Cb 2.42 0.66 -0.16 0.00 -1.74 0.00 0.00 68.15 69.33 3h1k h THR 23 CO -0.20 0.10 -0.34 0.58 0.37 0.00 0.00 175.52 176.03 3h1k h VAL 24 N -0.99 0.04 0.00 3.16 2.07 -0.03 1.54 116.25 122.03 3h1k h VAL 24 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3h1k h VAL 24 Cb 0.48 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3h1k h VAL 24 CO 0.07 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.18 3h1k n VAL 25 N -5.50 0.00 -0.23 2.57 0.31 -0.70 0.14 118.33 114.92 3h1k n VAL 25 Ca 0.11 1.14 -0.03 0.00 -0.01 0.00 0.00 64.34 65.55 3h1k n VAL 25 Cb 0.42 -1.88 0.04 0.00 -0.91 0.00 0.00 33.84 31.50 3h1k n VAL 25 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3h1k h LEU 26 N 0.00 -0.99 -0.36 7.52 5.85 -1.12 -0.72 115.31 125.49 3h1k h LEU 26 Ca 0.00 0.23 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3h1k h LEU 26 Cb 0.00 0.54 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 3h1k h LEU 26 CO 0.00 -0.28 -0.30 1.23 -0.34 0.00 0.00 178.44 178.75 3h1k h GLY 27 N -0.09 -0.21 0.30 3.75 0.00 0.26 -0.61 103.07 106.46 3h1k h GLY 27 Ca 0.28 0.38 0.11 0.00 0.00 0.00 0.00 47.33 48.10 3h1k h GLY 27 CO -0.73 -0.21 0.25 0.00 0.00 0.00 0.00 176.54 175.85 3h1k h ALA 28 N 0.78 0.88 -0.48 3.60 0.00 0.27 -0.41 119.26 123.90 3h1k h ALA 28 Ca 0.17 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3h1k h ALA 28 Cb 0.52 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3h1k h ALA 28 CO -0.50 -0.20 -0.52 0.28 0.00 0.00 0.00 179.25 178.31 3h1k h VAL 29 N 0.42 0.00 -0.22 0.00 2.07 -0.07 0.34 116.25 118.79 3h1k h VAL 29 Ca 0.34 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.91 3h1k h VAL 29 Cb 0.46 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 3h1k h VAL 29 CO -0.34 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.10 3h1k h LEU 30 N -0.30 -0.26 -0.34 2.57 3.38 -0.78 -1.53 115.31 118.04 3h1k h LEU 30 Ca 0.08 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3h1k h LEU 30 Cb 0.52 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 3h1k h LEU 30 CO -0.61 -0.10 -0.21 0.15 0.09 0.00 0.00 178.44 177.76 3h1k h PHE 31 N -0.03 -0.54 0.00 1.13 3.57 0.47 -0.79 116.94 120.75 3h1k h PHE 31 Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3h1k h PHE 31 Cb 0.20 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3h1k h PHE 31 CO -0.25 -0.29 0.00 -1.91 -2.23 0.00 0.00 178.31 173.63 3h1k n GLU 32 N -5.37 0.00 -0.30 1.11 2.13 0.10 0.14 120.64 118.44 3h1k n GLU 32 Ca 0.01 0.48 0.26 0.00 0.66 0.00 0.00 57.16 58.57 3h1k n GLU 32 Cb 0.28 -1.37 0.44 0.00 0.27 0.00 0.00 31.44 31.06 3h1k n GLU 32 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3h1k n ARG 33 N -1.80 -0.02 0.00 5.31 0.63 -0.61 0.69 116.66 120.86 3h1k n ARG 33 Ca 0.00 0.80 0.05 0.00 -0.92 0.00 0.00 57.85 57.78 3h1k n ARG 33 Cb 0.00 -1.59 -0.02 0.00 0.45 0.00 0.00 32.46 31.30 3h1k n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1k n ALA 34 N -2.55 2.99 0.08 5.13 0.00 -0.32 -4.20 120.51 121.63 3h1k n ALA 34 Ca 0.26 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 3h1k n ALA 34 Cb 1.01 -0.34 -0.15 0.00 0.00 0.00 0.00 19.45 19.97 3h1k n ALA 34 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3h1k h PHE 35 N 0.63 0.72 0.66 0.00 3.57 0.71 -3.21 116.94 120.01 3h1k h PHE 35 Ca 0.00 -0.52 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 3h1k h PHE 35 Cb 0.28 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3h1k h PHE 35 CO 0.00 1.54 -0.43 -0.44 -2.23 0.00 0.00 178.31 176.74 3h1k h ASP 36 N -0.07 -1.10 -0.87 0.41 3.32 -1.52 -0.52 116.42 116.06 3h1k h ASP 36 Ca -0.26 0.07 0.08 0.00 0.02 0.00 0.00 57.03 56.93 3h1k h ASP 36 Cb 1.95 0.33 -0.10 0.00 0.22 0.00 0.00 39.33 41.73 3h1k h ASP 36 CO 0.18 -0.65 -0.52 0.00 -1.72 0.00 0.00 179.24 176.53 3h1k n GLN 37 N -5.56 -0.38 -0.05 3.56 6.02 -1.26 0.28 117.38 119.99 3h1k n GLN 37 Ca -0.13 1.44 -0.08 0.00 -0.01 0.00 0.00 57.00 58.22 3h1k n GLN 37 Cb 0.45 -2.12 -0.02 0.00 1.02 0.00 0.00 30.24 29.56 3h1k n GLN 37 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3h1k h GLY 38 N 0.00 -0.08 0.65 1.08 0.00 -1.53 0.20 103.07 103.40 3h1k h GLY 38 Ca 0.14 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.73 3h1k h GLY 38 CO -0.82 -0.18 -0.21 0.00 0.00 0.00 0.00 176.54 175.32 3h1k h ALA 39 N 0.90 -0.37 -0.02 3.60 0.00 0.86 0.33 119.26 124.55 3h1k h ALA 39 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h1k h ALA 39 Cb 0.41 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3h1k h ALA 39 CO -0.36 -0.75 -0.11 -0.44 0.00 0.00 0.00 179.25 177.59 3h1k h ASP 40 N -0.41 -0.32 0.01 0.00 3.32 0.11 0.13 116.42 119.25 3h1k h ASP 40 Ca 0.02 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3h1k h ASP 40 Cb 0.42 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 3h1k h ASP 40 CO -0.11 -0.16 -0.38 0.00 -1.72 0.00 0.00 179.24 176.88 3h1k h ALA 41 N 0.81 -0.58 -0.30 3.45 0.00 -0.39 0.18 119.26 122.43 3h1k h ALA 41 Ca 0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3h1k h ALA 41 Cb 0.24 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3h1k h ALA 41 CO -0.13 -0.90 -0.25 0.82 0.00 0.00 0.00 179.25 178.79 3h1k h ILE 42 N -0.54 0.37 -0.03 0.00 2.04 0.05 -0.65 117.51 118.75 3h1k h ILE 42 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3h1k h ILE 42 Cb 0.62 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3h1k h ILE 42 CO -0.29 0.00 -0.22 0.15 0.00 0.00 0.00 178.15 177.79 3h1k h PHE 43 N -0.23 -0.60 -0.34 1.37 3.57 -0.07 -1.95 116.94 118.70 3h1k h PHE 43 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 3h1k h PHE 43 Cb 0.47 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 3h1k h PHE 43 CO -0.43 -0.31 0.10 0.93 -2.23 0.00 0.00 178.31 176.37 3h1k h GLU 44 N -0.34 0.23 -0.66 1.11 5.08 -0.27 -2.20 114.58 117.53 3h1k h GLU 44 Ca 0.07 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.55 3h1k h GLU 44 Cb 0.43 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 3h1k h GLU 44 CO -0.23 0.15 0.16 1.25 -1.00 0.00 0.00 179.01 179.34 3h1k h HIS 45 N 0.23 0.26 0.00 4.33 2.76 -0.73 0.61 115.15 122.62 3h1k h HIS 45 Ca 0.16 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3h1k h HIS 45 Cb 0.15 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3h1k h HIS 45 CO -0.16 -0.03 0.00 1.28 -1.30 0.00 0.00 177.93 177.72 3h1k n LEU 46 N -5.12 0.00 -2.57 0.26 4.77 -0.77 -2.20 117.00 111.37 3h1k n LEU 46 Ca 0.11 0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 3h1k n LEU 46 Cb 0.37 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3h1k n LEU 46 CO 0.16 -0.28 0.02 0.59 -1.33 0.00 0.00 177.39 176.54 3h1k n ASN 47 N -1.36 2.80 -4.67 -1.43 3.02 0.21 -5.09 115.26 108.74 3h1k n ASN 47 Ca 0.03 -3.02 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 3h1k n ASN 47 Cb 0.06 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 3h1k n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h1k s GLU 48 N -3.39 4.14 0.00 3.52 0.41 -0.94 -2.40 118.70 120.05 3h1k s GLU 48 Ca 0.36 2.62 0.00 0.00 -0.41 0.00 0.00 54.97 57.53 3h1k s GLU 48 Cb 0.42 -3.93 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 3h1k s GLU 48 CO -0.04 -0.91 0.00 0.41 -0.49 0.00 0.00 175.26 174.23 3h1k n GLY 49 N 4.42 0.39 0.07 -1.39 0.00 -1.26 -4.87 105.19 102.56 3h1k n GLY 49 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 3h1k n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1k n LYS 50 N -1.95 0.71 -2.80 1.61 5.02 -1.01 -4.65 118.16 115.09 3h1k n LYS 50 Ca 0.00 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 3h1k n LYS 50 Cb 0.12 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 3h1k n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1k s LEU 51 N -5.16 3.88 0.51 -0.35 1.43 -1.25 -4.93 118.68 112.81 3h1k s LEU 51 Ca -0.09 1.50 0.34 0.00 -1.03 0.00 0.00 54.13 54.85 3h1k s LEU 51 Cb 0.08 -4.37 1.77 0.00 0.03 0.00 0.00 46.19 43.71 3h1k s LEU 51 CO 0.84 -0.38 2.05 -0.25 0.23 0.00 0.00 176.35 178.84 3h1k h TRP 52 N 1.69 0.00 0.00 0.29 2.91 -1.94 0.64 115.95 119.54 3h1k h TRP 52 Ca -0.48 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.51 3h1k h TRP 52 Cb 1.18 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 3h1k h TRP 52 CO 0.62 0.00 -0.13 -0.22 -1.03 0.00 0.00 178.44 177.68 3h1k h LYS 53 N 0.00 0.00 0.00 2.65 3.64 -1.99 -2.49 116.57 118.39 3h1k h LYS 53 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h1k h LYS 53 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3h1k h LYS 53 CO 0.00 0.13 -0.09 0.45 -2.27 0.00 0.00 179.45 177.67 3h1k h HIS 54 N 0.00 0.00 0.00 1.91 3.86 -1.23 -3.39 115.15 116.30 3h1k h HIS 54 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h1k h HIS 54 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3h1k h HIS 54 CO 0.00 0.00 0.00 0.44 0.86 0.00 0.00 177.93 179.23 3h1k n ILE 55 N -2.85 0.00 0.08 2.45 -5.35 -1.10 -3.54 119.36 109.05 3h1k n ILE 55 Ca -0.01 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.25 3h1k n ILE 55 Cb 0.05 -0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 37.64 3h1k n ILE 55 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3h1k h LYS 56 N 0.63 0.52 0.00 6.28 3.64 -1.64 -3.31 116.57 122.70 3h1k h LYS 56 Ca 0.00 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 3h1k h LYS 56 Cb 0.15 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3h1k h LYS 56 CO 0.00 1.32 0.44 1.12 -2.27 0.00 0.00 179.45 180.06 3h1k h HIS 57 N 0.08 0.00 0.00 1.91 2.07 -1.87 -1.88 115.15 115.46 3h1k h HIS 57 Ca -0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.35 3h1k h HIS 57 Cb 1.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.78 3h1k h HIS 57 CO 0.14 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.63 3h1k n LYS 58 N -2.30 0.34 0.00 5.12 5.02 -1.25 -3.95 118.16 121.14 3h1k n LYS 58 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3h1k n LYS 58 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3h1k n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3h1k n TYR 59 N -1.33 0.00 -3.37 2.13 4.02 -0.71 -5.06 117.16 112.83 3h1k n TYR 59 Ca 0.13 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.62 3h1k n TYR 59 Cb 0.26 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.49 3h1k n TYR 59 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3h1k s GLU 60 N -0.00 3.80 0.00 -0.72 -1.05 -1.18 -4.96 118.70 114.59 3h1k s GLU 60 Ca 0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 3h1k s GLU 60 Cb 0.00 -3.73 0.00 0.00 -0.44 0.00 0.00 34.13 29.96 3h1k s GLU 60 CO 0.00 -0.42 0.00 0.00 0.95 0.00 0.00 175.26 175.79 3h1k n ALA 61 N 5.41 0.00 0.13 -0.84 0.00 -1.26 -4.94 120.51 119.00 3h1k n ALA 61 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 3h1k n ALA 61 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 3h1k n ALA 61 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h1k h SER 62 N 0.00 -0.30 0.00 0.00 4.64 -2.05 -3.55 113.55 112.29 3h1k h SER 62 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3h1k h SER 62 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3h1k h SER 62 CO 0.00 0.09 0.00 -1.84 -0.87 0.00 0.00 176.83 174.21