#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntz n ALA 2 N 0.00 2.49 0.01 3.52 0.00 -1.26 -4.70 120.51 120.57 1ntz n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ntz n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ntz n ALA 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ntz h PRO 3 N 0.00 0.05 0.00 0.00 0.11 -2.06 -2.69 132.00 127.41 1ntz h PRO 3 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ntz h PRO 3 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ntz h PRO 3 CO 0.00 0.20 0.00 1.15 -0.21 0.00 0.00 178.00 179.14 1ntz h THR 4 N -0.11 0.00 0.58 -1.15 2.02 -1.98 -3.18 112.91 109.08 1ntz h THR 4 Ca 0.01 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1ntz h THR 4 Cb 0.17 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1ntz h THR 4 CO -0.00 0.00 -0.28 0.25 0.37 0.00 0.00 175.52 175.86 1ntz h LEU 5 N 0.00 -0.65 -1.35 2.58 6.46 -1.75 0.41 115.31 121.01 1ntz h LEU 5 Ca 0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1ntz h LEU 5 Cb 0.27 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1ntz h LEU 5 CO 0.00 -0.28 -0.11 0.71 -0.62 0.00 0.00 178.44 178.14 1ntz h THR 6 N -1.09 0.29 -0.32 1.05 1.35 -1.65 -2.72 112.91 109.81 1ntz h THR 6 Ca -0.08 -0.78 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1ntz h THR 6 Cb 0.65 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1ntz h THR 6 CO 0.13 0.11 0.12 0.00 -0.25 0.00 0.00 175.52 175.62 1ntz h ALA 7 N 1.89 0.41 -0.59 6.62 0.00 -1.51 -1.73 119.26 124.36 1ntz h ALA 7 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ntz h ALA 7 Cb 0.60 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ntz h ALA 7 CO 0.01 0.03 0.10 0.00 0.00 0.00 0.00 179.25 179.40 1ntz h ARG 8 N 0.36 0.97 -0.50 0.00 3.08 -0.68 0.75 114.38 118.36 1ntz h ARG 8 Ca 0.10 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1ntz h ARG 8 Cb 0.21 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1ntz h ARG 8 CO -0.01 0.91 0.26 -0.07 -1.07 0.00 0.00 179.97 180.00 1ntz h LEU 9 N 0.87 0.38 0.02 3.04 3.38 -1.41 0.17 115.31 121.76 1ntz h LEU 9 Ca 0.18 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ntz h LEU 9 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ntz h LEU 9 CO 0.01 0.27 -0.01 0.22 0.09 0.00 0.00 178.44 179.01 1ntz h TYR 10 N 0.51 -0.03 0.20 1.13 3.20 -1.04 -1.00 116.97 119.94 1ntz h TYR 10 Ca 0.22 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1ntz h TYR 10 Cb 0.11 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1ntz h TYR 10 CO -0.10 0.23 -0.26 0.77 -1.64 0.00 0.00 178.16 177.16 1ntz h SER 11 N -0.29 -0.73 1.56 -2.11 0.02 -0.58 -1.39 113.55 110.03 1ntz h SER 11 Ca -0.00 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1ntz h SER 11 Cb 0.28 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1ntz h SER 11 CO 0.01 -0.37 -0.45 -0.07 -1.14 0.00 0.00 176.83 174.81 1ntz h LEU 12 N -0.52 0.00 0.00 5.07 3.38 -0.77 -3.42 115.31 119.05 1ntz h LEU 12 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ntz h LEU 12 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ntz h LEU 12 CO -0.10 0.37 -0.22 0.18 0.09 0.00 0.00 178.44 178.76 1ntz n LEU 13 N -3.16 0.00 0.03 1.67 4.77 -0.43 -4.91 117.00 114.97 1ntz n LEU 13 Ca 0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1ntz n LEU 13 Cb 0.69 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.68 1ntz n LEU 13 CO 0.39 0.00 -0.45 0.49 -1.33 0.00 0.00 177.39 176.49 1ntz n PHE 14 N -0.60 0.45 0.18 -1.77 3.72 -0.80 -1.03 117.46 117.61 1ntz n PHE 14 Ca 0.00 0.13 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 1ntz n PHE 14 Cb 0.06 -0.75 -0.08 0.00 -0.94 0.00 0.00 39.48 37.77 1ntz n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1ntz h ARG 15 N 0.00 -0.69 -6.94 -1.08 2.43 -1.54 -3.41 114.38 103.15 1ntz h ARG 15 Ca -0.05 0.05 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 1ntz h ARG 15 Cb 1.13 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ntz h ARG 15 CO 0.01 -0.46 0.38 1.03 -1.51 0.00 0.00 179.97 179.41 1ntz s ARG 16 N -5.16 4.34 0.35 0.20 0.52 -1.26 -4.91 118.95 113.04 1ntz s ARG 16 Ca -0.13 1.40 0.26 0.00 -0.52 0.00 0.00 55.73 56.74 1ntz s ARG 16 Cb 0.04 -2.61 0.87 0.00 0.52 0.00 0.00 34.95 33.77 1ntz s ARG 16 CO 0.46 0.04 1.77 1.15 0.02 0.00 0.00 175.30 178.74 1ntz h THR 17 N 2.33 0.00 0.10 0.02 2.02 -1.90 -2.62 112.91 112.85 1ntz h THR 17 Ca -0.48 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1ntz h THR 17 Cb 1.20 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1ntz h THR 17 CO 0.63 0.00 -0.05 0.28 0.37 0.00 0.00 175.52 176.76 1ntz h SER 18 N 0.00 -0.11 -0.31 4.18 0.02 -1.91 -1.75 113.55 113.67 1ntz h SER 18 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1ntz h SER 18 Cb 0.66 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 1ntz h SER 18 CO 0.00 -0.08 0.02 0.71 -1.14 0.00 0.00 176.83 176.34 1ntz h THR 19 N -0.13 0.80 -0.92 -2.27 1.35 -1.78 -1.20 112.91 108.76 1ntz h THR 19 Ca -0.01 -0.04 0.18 0.00 -0.55 0.00 0.00 66.41 65.99 1ntz h THR 19 Cb 0.10 0.67 -0.17 0.00 -1.73 0.00 0.00 68.15 67.02 1ntz h THR 19 CO 0.02 0.02 -0.24 0.15 -0.25 0.00 0.00 175.52 175.22 1ntz h PHE 20 N 0.12 -0.54 0.18 4.73 3.57 -0.68 0.79 116.94 125.12 1ntz h PHE 20 Ca 0.15 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ntz h PHE 20 Cb 0.19 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1ntz h PHE 20 CO -0.21 -0.40 -0.09 0.00 -2.23 0.00 0.00 178.31 175.39 1ntz h ALA 21 N 1.86 -0.25 -0.80 2.41 0.00 -0.90 -2.36 119.26 119.23 1ntz h ALA 21 Ca 0.43 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.31 1ntz h ALA 21 Cb 0.66 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1ntz h ALA 21 CO -0.94 -0.42 0.30 1.25 0.00 0.00 0.00 179.25 179.44 1ntz h LEU 22 N -0.68 0.23 -0.74 0.00 5.85 0.26 -0.26 115.31 119.97 1ntz h LEU 22 Ca -0.03 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1ntz h LEU 22 Cb 0.49 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1ntz h LEU 22 CO 0.04 0.04 0.02 0.00 -0.34 0.00 0.00 178.44 178.20 1ntz h THR 23 N 0.39 1.26 0.00 1.05 1.03 0.53 0.11 112.91 117.29 1ntz h THR 23 Ca 0.46 -1.09 -0.07 0.00 -0.01 0.00 0.00 66.41 65.71 1ntz h THR 23 Cb 0.78 0.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.65 1ntz h THR 23 CO -0.47 0.39 -0.31 0.16 -0.01 0.00 0.00 175.52 175.28 1ntz h ILE 24 N 0.90 0.70 0.15 0.00 3.07 -0.65 0.60 117.51 122.28 1ntz h ILE 24 Ca 0.17 -1.41 -0.31 0.00 1.55 0.00 0.00 64.86 64.86 1ntz h ILE 24 Cb 0.51 1.92 0.03 0.00 -0.27 0.00 0.00 36.82 39.00 1ntz h ILE 24 CO 0.02 0.30 -1.30 0.58 -1.05 0.00 0.00 178.15 176.71 1ntz h VAL 25 N 0.00 1.29 -0.24 0.16 2.07 -0.80 0.54 116.25 119.27 1ntz h VAL 25 Ca -0.00 -2.52 -0.11 0.00 0.82 0.00 0.00 66.70 64.88 1ntz h VAL 25 Cb 0.89 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1ntz h VAL 25 CO 0.04 0.76 -0.34 0.58 0.02 0.00 0.00 177.57 178.64 1ntz h VAL 26 N 0.25 1.29 0.00 2.57 2.07 -0.89 -2.55 116.25 118.99 1ntz h VAL 26 Ca -0.20 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 65.79 1ntz h VAL 26 Cb 1.97 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1ntz h VAL 26 CO 0.25 0.45 -0.40 1.23 0.02 0.00 0.00 177.57 179.12 1ntz h GLY 27 N 1.06 0.00 1.60 2.17 0.00 0.36 -3.10 103.07 105.16 1ntz h GLY 27 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 1ntz h GLY 27 CO 0.06 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.82 1ntz h ALA 28 N 1.60 0.54 0.63 3.60 0.00 0.49 -2.90 119.26 123.23 1ntz h ALA 28 Ca -0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1ntz h ALA 28 Cb 0.99 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ntz h ALA 28 CO 0.05 0.79 -0.30 1.25 0.00 0.00 0.00 179.25 181.04 1ntz h LEU 29 N 0.25 -0.72 -0.07 0.00 5.85 -1.42 -1.63 115.31 117.57 1ntz h LEU 29 Ca -0.04 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ntz h LEU 29 Cb 1.38 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1ntz h LEU 29 CO 0.13 -0.40 0.03 -0.26 -0.34 0.00 0.00 178.44 177.60 1ntz h PHE 30 N -1.03 0.11 -0.88 1.25 -1.00 -1.69 -3.03 116.94 110.67 1ntz h PHE 30 Ca -0.09 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.83 1ntz h PHE 30 Cb 0.69 -0.03 -0.09 0.00 3.61 0.00 0.00 35.95 40.13 1ntz h PHE 30 CO -0.00 0.20 0.48 0.35 -1.61 0.00 0.00 178.31 177.72 1ntz h PHE 31 N -0.02 0.84 -0.22 -0.55 3.57 -1.56 -0.52 116.94 118.48 1ntz h PHE 31 Ca 0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1ntz h PHE 31 Cb 0.14 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1ntz h PHE 31 CO -0.03 0.23 0.02 1.49 -2.23 0.00 0.00 178.31 177.80 1ntz h GLU 32 N 0.69 0.10 -0.00 1.11 4.81 -1.17 0.21 114.58 120.33 1ntz h GLU 32 Ca 0.47 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1ntz h GLU 32 Cb 0.63 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1ntz h GLU 32 CO -0.34 0.07 0.00 -0.09 -0.73 0.00 0.00 179.01 177.92 1ntz h ARG 33 N 0.10 0.01 -0.91 1.92 2.43 -1.23 -0.62 114.38 116.08 1ntz h ARG 33 Ca 0.10 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ntz h ARG 33 Cb 0.12 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1ntz h ARG 33 CO -0.15 0.19 0.58 0.00 -1.51 0.00 0.00 179.97 179.07 1ntz h ALA 34 N 0.82 1.16 -0.29 2.80 0.00 -0.82 -1.85 119.26 121.09 1ntz h ALA 34 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1ntz h ALA 34 Cb 0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ntz h ALA 34 CO -0.00 0.59 -0.37 0.35 0.00 0.00 0.00 179.25 179.82 1ntz h PHE 35 N 1.25 0.93 0.90 0.00 3.57 -0.57 -1.47 116.94 121.55 1ntz h PHE 35 Ca 0.33 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1ntz h PHE 35 Cb -0.10 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.46 1ntz h PHE 35 CO -0.00 1.08 -0.44 -0.44 -2.23 0.00 0.00 178.31 176.28 1ntz h ASP 36 N 0.52 -1.04 -0.24 0.41 3.45 -0.77 0.15 116.42 118.90 1ntz h ASP 36 Ca 0.04 0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.56 1ntz h ASP 36 Cb 0.96 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.98 1ntz h ASP 36 CO 0.09 -0.74 0.05 1.56 -1.57 0.00 0.00 179.24 178.63 1ntz h GLN 37 N -1.22 0.14 -0.89 3.56 1.08 -1.46 0.17 115.11 116.50 1ntz h GLN 37 Ca -0.12 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1ntz h GLN 37 Cb 0.94 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.27 1ntz h GLN 37 CO 0.20 0.10 0.57 0.78 -0.95 0.00 0.00 178.83 179.53 1ntz h GLY 38 N 0.15 1.26 1.54 3.46 0.00 -1.27 -0.19 103.07 108.03 1ntz h GLY 38 Ca 0.11 -0.35 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 1ntz h GLY 38 CO -0.14 0.19 -1.32 0.00 0.00 0.00 0.00 176.54 175.27 1ntz h ALA 39 N 1.56 0.48 -0.19 3.60 0.00 -0.44 -3.16 119.26 121.12 1ntz h ALA 39 Ca 0.42 -1.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1ntz h ALA 39 Cb 0.45 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ntz h ALA 39 CO -0.18 1.34 0.11 -0.44 0.00 0.00 0.00 179.25 180.08 1ntz h ASP 40 N 0.01 0.23 -0.10 0.00 3.32 -0.16 -0.84 116.42 118.88 1ntz h ASP 40 Ca -0.14 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1ntz h ASP 40 Cb 1.89 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.38 1ntz h ASP 40 CO 0.12 0.23 0.07 0.00 -1.72 0.00 0.00 179.24 177.93 1ntz h ALA 41 N 1.01 1.90 -0.01 3.45 0.00 -1.15 0.73 119.26 125.19 1ntz h ALA 41 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1ntz h ALA 41 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ntz h ALA 41 CO -0.01 0.09 -0.89 0.82 0.00 0.00 0.00 179.25 179.25 1ntz h ILE 42 N 0.15 1.42 -0.00 0.00 1.08 -1.42 -1.66 117.51 117.08 1ntz h ILE 42 Ca 0.04 -2.43 -0.14 0.00 -0.39 0.00 0.00 64.86 61.94 1ntz h ILE 42 Cb -0.00 2.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.10 1ntz h ILE 42 CO -0.01 0.72 -0.67 0.22 -0.69 0.00 0.00 178.15 177.72 1ntz h TYR 43 N 0.21 0.02 0.12 1.37 5.03 0.27 -3.01 116.97 120.98 1ntz h TYR 43 Ca -0.06 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.23 1ntz h TYR 43 Cb 1.52 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.79 1ntz h TYR 43 CO 0.05 0.68 -0.06 1.49 -1.32 0.00 0.00 178.16 179.01 1ntz h GLU 44 N 0.01 -0.15 -0.17 1.82 4.81 0.51 -3.27 114.58 118.13 1ntz h GLU 44 Ca -0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ntz h GLU 44 Cb 1.19 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1ntz h GLU 44 CO 0.09 0.17 0.09 0.45 -0.73 0.00 0.00 179.01 179.08 1ntz h HIS 45 N -0.48 0.24 0.00 0.92 3.86 -1.31 -2.66 115.15 115.73 1ntz h HIS 45 Ca -0.02 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1ntz h HIS 45 Cb 0.39 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1ntz h HIS 45 CO 0.03 0.25 0.00 1.51 0.86 0.00 0.00 177.93 180.58 1ntz n ILE 46 N -4.90 0.34 0.00 2.45 3.06 -1.14 -4.58 119.36 114.59 1ntz n ILE 46 Ca -0.04 0.09 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 1ntz n ILE 46 Cb 0.08 -0.90 0.00 0.00 0.54 0.00 0.00 39.64 39.36 1ntz n ILE 46 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1ntz n ASN 47 N -1.13 0.00 0.00 9.51 3.02 -1.01 -5.04 115.26 120.60 1ntz n ASN 47 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1ntz n ASN 47 Cb 0.06 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1ntz n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ntz n GLU 48 N 0.00 0.00 -0.13 3.52 1.02 -1.17 -5.03 120.64 118.85 1ntz n GLU 48 Ca 0.00 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 1ntz n GLU 48 Cb 0.00 -0.23 -0.12 0.00 -0.02 0.00 0.00 31.44 31.08 1ntz n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ntz n GLY 49 N -1.49 -0.36 0.00 0.62 0.00 -1.26 -4.84 105.19 97.86 1ntz n GLY 49 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ntz n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ntz n LYS 50 N -3.32 -0.56 0.00 1.61 4.81 -1.26 -4.65 118.16 114.79 1ntz n LYS 50 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 56.98 1ntz n LYS 50 Cb 0.97 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.02 1ntz n LYS 50 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ntz n LEU 51 N 0.00 0.00 0.11 3.14 4.77 -1.26 -3.16 117.00 120.60 1ntz n LEU 51 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1ntz n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ntz n LEU 51 CO 0.00 0.00 0.19 -0.50 -1.33 0.00 0.00 177.39 175.75 1ntz h TRP 52 N 0.18 0.00 0.00 -1.77 4.06 -1.88 -3.24 115.95 113.29 1ntz h TRP 52 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1ntz h TRP 52 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1ntz h TRP 52 CO 0.00 0.39 -0.25 0.87 -3.56 0.00 0.00 178.44 175.88 1ntz h LYS 53 N 0.00 0.00 -0.99 0.49 1.57 -1.82 -3.35 116.57 112.47 1ntz h LYS 53 Ca -0.06 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 59.06 1ntz h LYS 53 Cb 1.34 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.50 1ntz h LYS 53 CO 0.04 0.25 0.52 1.12 -0.57 0.00 0.00 179.45 180.82 1ntz h HIS 54 N 0.00 0.84 -1.21 -1.35 -0.00 -1.85 -2.10 115.15 109.48 1ntz h HIS 54 Ca -0.00 0.04 0.35 0.00 -0.00 0.00 0.00 60.37 60.75 1ntz h HIS 54 Cb 0.87 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 28.00 1ntz h HIS 54 CO 0.00 -0.24 0.84 0.82 -0.00 0.00 0.00 177.93 179.34 1ntz h ILE 55 N 0.24 0.38 0.00 6.12 1.08 -1.83 -3.10 117.51 120.40 1ntz h ILE 55 Ca 0.74 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 65.17 1ntz h ILE 55 Cb 1.73 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1ntz h ILE 55 CO -0.65 0.02 0.00 0.29 -0.69 0.00 0.00 178.15 177.12 1ntz n LYS 56 N -4.35 0.00 -0.31 2.37 5.02 -0.79 -4.61 118.16 115.49 1ntz n LYS 56 Ca 0.28 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1ntz n LYS 56 Cb 1.21 -0.18 -0.06 0.00 -0.02 0.00 0.00 35.03 35.98 1ntz n LYS 56 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ntz n HIS 57 N -0.02 -0.28 -0.01 2.13 8.25 -1.23 -4.59 115.22 119.47 1ntz n HIS 57 Ca 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 1ntz n HIS 57 Cb 0.00 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.51 1ntz n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ntz n LYS 58 N -4.98 0.85 0.00 -0.41 4.01 -1.17 -3.98 118.16 112.48 1ntz n LYS 58 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1ntz n LYS 58 Cb 0.21 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.73 1ntz n LYS 58 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1ntz n TYR 59 N -0.89 0.00 0.92 2.13 9.36 -1.26 -4.59 117.16 122.84 1ntz n TYR 59 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1ntz n TYR 59 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 1ntz n TYR 59 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ntz n GLU 60 N 0.00 1.07 0.00 2.98 1.02 -1.26 -5.23 120.64 119.22 1ntz n GLU 60 Ca 0.00 -0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1ntz n GLU 60 Cb 0.00 -1.17 0.07 0.00 -0.02 0.00 0.00 31.44 30.33 1ntz n GLU 60 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40