#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n ALA 2 N 0.00 3.00 0.29 3.52 0.00 -1.26 -4.76 120.51 121.30 1nu1 n ALA 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1nu1 n ALA 2 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 1nu1 n ALA 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1nu1 h PRO 3 N 0.00 -0.76 0.00 0.00 0.11 -2.07 -3.16 132.00 126.12 1nu1 h PRO 3 Ca 0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1nu1 h PRO 3 Cb 0.01 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1nu1 h PRO 3 CO 0.00 -0.51 0.00 2.41 -0.21 0.00 0.00 178.00 179.69 1nu1 n THR 4 N -5.46 0.00 -0.08 -1.15 -1.04 -1.26 -3.70 114.28 101.59 1nu1 n THR 4 Ca -0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.79 1nu1 n THR 4 Cb 0.35 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1nu1 n THR 4 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1nu1 h LEU 5 N 0.00 0.00 -1.48 -4.42 6.46 -1.84 -2.00 115.31 112.02 1nu1 h LEU 5 Ca 0.00 -0.35 0.16 0.00 -0.12 0.00 0.00 57.88 57.57 1nu1 h LEU 5 Cb 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 1nu1 h LEU 5 CO 0.00 0.99 0.54 0.71 -0.62 0.00 0.00 178.44 180.05 1nu1 h THR 6 N -1.00 0.79 0.74 1.05 1.35 -1.71 0.11 112.91 114.24 1nu1 h THR 6 Ca -0.11 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1nu1 h THR 6 Cb 0.75 0.25 0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1nu1 h THR 6 CO -0.07 0.09 -0.36 0.00 -0.25 0.00 0.00 175.52 174.94 1nu1 h ALA 7 N 1.63 -1.00 -1.00 6.62 0.00 -1.68 -1.71 119.26 122.12 1nu1 h ALA 7 Ca 0.41 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.27 1nu1 h ALA 7 Cb 0.86 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1nu1 h ALA 7 CO -0.15 -1.03 0.60 0.00 0.00 0.00 0.00 179.25 178.68 1nu1 h ARG 8 N -1.07 0.75 -0.30 0.00 3.08 -0.49 0.38 114.38 116.73 1nu1 h ARG 8 Ca -0.10 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.95 1nu1 h ARG 8 Cb 0.78 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1nu1 h ARG 8 CO 0.17 0.50 0.04 -0.07 -1.07 0.00 0.00 179.97 179.53 1nu1 h LEU 9 N 0.78 -0.04 0.42 3.04 3.38 -0.62 -2.36 115.31 119.90 1nu1 h LEU 9 Ca 0.57 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.57 1nu1 h LEU 9 Cb 0.85 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1nu1 h LEU 9 CO -0.37 0.01 -0.20 0.22 0.09 0.00 0.00 178.44 178.19 1nu1 h TYR 10 N 0.13 -0.52 -0.36 1.13 3.20 0.58 -1.58 116.97 119.56 1nu1 h TYR 10 Ca 0.14 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1nu1 h TYR 10 Cb 0.17 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1nu1 h TYR 10 CO -0.19 -0.20 -0.13 0.77 -1.64 0.00 0.00 178.16 176.77 1nu1 h SER 11 N -0.85 -0.46 1.09 -2.11 0.02 -0.95 0.23 113.55 110.52 1nu1 h SER 11 Ca -0.06 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1nu1 h SER 11 Cb 0.55 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1nu1 h SER 11 CO 0.09 -0.16 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.13 1nu1 h LEU 12 N -0.05 0.00 0.00 5.07 3.38 -1.50 -3.42 115.31 118.79 1nu1 h LEU 12 Ca 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nu1 h LEU 12 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nu1 h LEU 12 CO -0.40 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.37 1nu1 n LEU 13 N -2.20 0.00 -0.01 1.67 4.77 -0.63 -4.94 117.00 115.66 1nu1 n LEU 13 Ca 0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1nu1 n LEU 13 Cb 0.44 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1nu1 n LEU 13 CO 0.34 0.00 -0.70 0.49 -1.33 0.00 0.00 177.39 176.19 1nu1 n PHE 14 N -0.18 0.25 0.32 -1.77 3.72 -0.61 -0.24 117.46 118.96 1nu1 n PHE 14 Ca 0.00 0.08 -0.17 0.00 -0.05 0.00 0.00 57.45 57.31 1nu1 n PHE 14 Cb 0.00 -0.76 -0.09 0.00 -0.94 0.00 0.00 39.48 37.70 1nu1 n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1nu1 h ARG 15 N 0.00 -0.84 -6.37 -1.08 2.43 -0.83 -3.42 114.38 104.27 1nu1 h ARG 15 Ca -0.16 0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.53 1nu1 h ARG 15 Cb 1.39 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 31.10 1nu1 h ARG 15 CO 0.01 -0.56 0.22 1.03 -1.51 0.00 0.00 179.97 179.17 1nu1 s ARG 16 N -6.02 4.55 0.51 0.20 0.52 -1.26 -4.91 118.95 112.54 1nu1 s ARG 16 Ca -0.17 1.18 0.25 0.00 -0.52 0.00 0.00 55.73 56.47 1nu1 s ARG 16 Cb 0.04 -3.37 1.39 0.00 0.52 0.00 0.00 34.95 33.53 1nu1 s ARG 16 CO 0.62 0.24 2.07 1.15 0.02 0.00 0.00 175.30 179.40 1nu1 h THR 17 N 4.15 0.67 0.00 0.02 2.02 -1.90 0.76 112.91 118.63 1nu1 h THR 17 Ca -0.43 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1nu1 h THR 17 Cb 1.21 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1nu1 h THR 17 CO 0.71 0.12 0.00 -1.20 0.37 0.00 0.00 175.52 175.53 1nu1 n SER 18 N -3.79 0.00 -0.01 4.18 7.64 -1.26 -1.43 113.62 118.95 1nu1 n SER 18 Ca -0.02 0.66 -0.10 0.00 1.01 0.00 0.00 58.87 60.42 1nu1 n SER 18 Cb 0.23 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1nu1 n SER 18 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1nu1 h THR 19 N 0.00 0.30 -1.00 0.44 1.35 -1.79 -1.08 112.91 111.14 1nu1 h THR 19 Ca 0.00 0.00 0.33 0.00 -0.55 0.00 0.00 66.41 66.19 1nu1 h THR 19 Cb 0.00 0.30 -0.18 0.00 -1.73 0.00 0.00 68.15 66.54 1nu1 h THR 19 CO 0.00 0.00 0.23 0.15 -0.25 0.00 0.00 175.52 175.65 1nu1 h PHE 20 N -0.37 0.29 0.14 4.73 3.57 0.19 0.58 116.94 126.07 1nu1 h PHE 20 Ca 0.10 0.06 -0.30 0.00 3.53 0.00 0.00 57.97 61.36 1nu1 h PHE 20 Cb 0.53 0.04 0.03 0.00 2.79 0.00 0.00 35.95 39.34 1nu1 h PHE 20 CO -0.41 -0.45 -1.28 0.00 -2.23 0.00 0.00 178.31 173.95 1nu1 h ALA 21 N 1.99 -0.01 -0.97 2.41 0.00 -0.50 -2.80 119.26 119.39 1nu1 h ALA 21 Ca 0.70 -0.80 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1nu1 h ALA 21 Cb 1.62 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 1nu1 h ALA 21 CO -0.86 0.72 0.61 1.25 0.00 0.00 0.00 179.25 180.97 1nu1 h LEU 22 N 0.24 0.94 0.28 0.00 5.85 0.12 -2.02 115.31 120.71 1nu1 h LEU 22 Ca -0.19 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1nu1 h LEU 22 Cb 1.95 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1nu1 h LEU 22 CO 0.24 0.57 -0.13 0.00 -0.34 0.00 0.00 178.44 178.77 1nu1 h THR 23 N 1.06 0.74 -0.53 1.05 1.03 -0.25 -1.34 112.91 114.66 1nu1 h THR 23 Ca 0.44 -0.65 0.15 0.00 -0.01 0.00 0.00 66.41 66.35 1nu1 h THR 23 Cb 0.28 1.07 -0.02 0.00 -1.07 0.00 0.00 68.15 68.42 1nu1 h THR 23 CO -0.21 0.13 0.47 0.16 -0.01 0.00 0.00 175.52 176.06 1nu1 h ILE 24 N -0.74 0.48 0.17 0.00 3.07 -1.19 1.27 117.51 120.57 1nu1 h ILE 24 Ca -0.04 0.00 -0.31 0.00 1.55 0.00 0.00 64.86 66.06 1nu1 h ILE 24 Cb 0.49 0.64 0.03 0.00 -0.27 0.00 0.00 36.82 37.72 1nu1 h ILE 24 CO 0.06 0.00 -1.33 0.58 -1.05 0.00 0.00 178.15 176.41 1nu1 h VAL 25 N 0.00 1.28 0.00 0.16 2.07 -1.16 -1.33 116.25 117.27 1nu1 h VAL 25 Ca 0.25 -2.55 -0.05 0.00 0.82 0.00 0.00 66.70 65.17 1nu1 h VAL 25 Cb 1.19 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 1nu1 h VAL 25 CO -0.00 0.77 -0.22 0.58 0.02 0.00 0.00 177.57 178.72 1nu1 h VAL 26 N 0.23 0.44 0.00 2.57 2.07 0.22 -2.81 116.25 118.97 1nu1 h VAL 26 Ca -0.21 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 1nu1 h VAL 26 Cb 2.01 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 1nu1 h VAL 26 CO 0.25 0.21 -0.37 1.23 0.02 0.00 0.00 177.57 178.91 1nu1 h GLY 27 N 2.84 0.00 1.35 2.17 0.00 0.16 -3.27 103.07 106.32 1nu1 h GLY 27 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1nu1 h GLY 27 CO 0.03 0.00 -1.08 0.00 0.00 0.00 0.00 176.54 175.48 1nu1 h ALA 28 N 1.78 0.16 -0.02 3.60 0.00 -0.98 -2.76 119.26 121.04 1nu1 h ALA 28 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.19 1nu1 h ALA 28 Cb 1.18 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1nu1 h ALA 28 CO 0.03 0.75 -0.17 1.25 0.00 0.00 0.00 179.25 181.10 1nu1 h LEU 29 N 0.29 -0.52 0.42 0.00 5.85 -1.59 0.56 115.31 120.32 1nu1 h LEU 29 Ca -0.13 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1nu1 h LEU 29 Cb 1.74 0.22 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1nu1 h LEU 29 CO 0.20 -0.23 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.61 1nu1 h PHE 30 N -0.27 -0.52 -0.99 1.25 -1.00 -1.66 -2.73 116.94 111.01 1nu1 h PHE 30 Ca 0.06 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 61.02 1nu1 h PHE 30 Cb 0.36 0.17 -0.10 0.00 3.61 0.00 0.00 35.95 39.99 1nu1 h PHE 30 CO -0.24 -0.22 0.61 0.35 -1.61 0.00 0.00 178.31 177.20 1nu1 h PHE 31 N -0.76 0.98 -0.91 -0.55 3.57 -1.31 0.13 116.94 118.09 1nu1 h PHE 31 Ca -0.06 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1nu1 h PHE 31 Cb 0.53 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1nu1 h PHE 31 CO -0.00 0.23 0.56 1.49 -2.23 0.00 0.00 178.31 178.35 1nu1 h GLU 32 N 0.71 0.91 0.13 1.11 4.81 0.42 -0.78 114.58 121.90 1nu1 h GLU 32 Ca 0.56 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 1nu1 h GLU 32 Cb 0.94 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1nu1 h GLU 32 CO -0.34 0.60 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.39 1nu1 h ARG 33 N 0.94 -0.17 -0.97 1.92 2.43 -0.57 -2.69 114.38 115.26 1nu1 h ARG 33 Ca 0.43 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.82 1nu1 h ARG 33 Cb 0.33 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.84 1nu1 h ARG 33 CO -0.23 -0.12 0.62 0.00 -1.51 0.00 0.00 179.97 178.74 1nu1 h ALA 34 N -1.56 2.02 -0.00 2.80 0.00 -1.37 0.65 119.26 121.79 1nu1 h ALA 34 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nu1 h ALA 34 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nu1 h ALA 34 CO 0.03 -0.36 -0.01 0.35 0.00 0.00 0.00 179.25 179.26 1nu1 h PHE 35 N 0.54 0.02 -0.94 0.00 3.57 -1.29 -1.79 116.94 117.05 1nu1 h PHE 35 Ca 0.53 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.03 1nu1 h PHE 35 Cb 1.14 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1nu1 h PHE 35 CO -0.00 0.61 0.61 0.22 -2.23 0.00 0.00 178.31 177.52 1nu1 h ASP 36 N -0.58 1.09 0.39 0.41 -0.00 -0.69 0.13 116.42 117.17 1nu1 h ASP 36 Ca -0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 56.97 1nu1 h ASP 36 Cb 0.61 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1nu1 h ASP 36 CO 0.00 0.80 -0.19 1.56 -0.00 0.00 0.00 179.24 181.42 1nu1 h GLN 37 N 1.28 -0.50 -0.87 0.28 1.08 0.13 -1.73 115.11 114.78 1nu1 h GLN 37 Ca 0.34 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.77 1nu1 h GLN 37 Cb -0.13 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.36 1nu1 h GLN 37 CO -0.07 -0.22 0.58 0.78 -0.95 0.00 0.00 178.83 178.95 1nu1 h GLY 38 N -1.03 0.76 0.49 3.46 0.00 -1.28 -1.86 103.07 103.62 1nu1 h GLY 38 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1nu1 h GLY 38 CO 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 176.54 176.58 1nu1 h ALA 39 N 1.62 -0.15 -0.67 3.60 0.00 -0.65 -2.27 119.26 120.74 1nu1 h ALA 39 Ca 0.44 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1nu1 h ALA 39 Cb 1.14 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1nu1 h ALA 39 CO -0.15 -0.33 0.13 -0.44 0.00 0.00 0.00 179.25 178.46 1nu1 h ASP 40 N -0.66 -0.04 -0.74 0.00 3.32 -0.95 0.74 116.42 118.09 1nu1 h ASP 40 Ca -0.02 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1nu1 h ASP 40 Cb 0.51 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 1nu1 h ASP 40 CO 0.03 -0.03 0.44 0.00 -1.72 0.00 0.00 179.24 177.95 1nu1 h ALA 41 N 1.55 1.36 0.00 3.45 0.00 -1.35 0.40 119.26 124.67 1nu1 h ALA 41 Ca 0.36 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1nu1 h ALA 41 Cb 0.58 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nu1 h ALA 41 CO -0.47 0.54 -0.55 0.82 0.00 0.00 0.00 179.25 179.59 1nu1 h ILE 42 N 1.04 1.33 0.00 0.00 1.08 -0.50 -1.71 117.51 118.75 1nu1 h ILE 42 Ca 0.27 -1.93 -0.13 0.00 -0.39 0.00 0.00 64.86 62.68 1nu1 h ILE 42 Cb -0.02 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1nu1 h ILE 42 CO -0.05 0.54 -0.62 0.22 -0.69 0.00 0.00 178.15 177.55 1nu1 h TYR 43 N 0.00 0.00 0.58 1.37 5.03 0.31 -3.16 116.97 121.10 1nu1 h TYR 43 Ca -0.01 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1nu1 h TYR 43 Cb 1.02 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.30 1nu1 h TYR 43 CO 0.00 0.62 -0.28 1.49 -1.32 0.00 0.00 178.16 178.67 1nu1 h GLU 44 N 0.00 -0.75 -0.94 1.82 4.81 0.09 -3.33 114.58 116.28 1nu1 h GLU 44 Ca -0.01 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.48 1nu1 h GLU 44 Cb 1.40 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.87 1nu1 h GLU 44 CO 0.08 -0.45 0.61 0.45 -0.73 0.00 0.00 179.01 178.97 1nu1 h HIS 45 N -1.11 0.66 -0.11 0.92 3.86 -1.32 0.34 115.15 118.39 1nu1 h HIS 45 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1nu1 h HIS 45 Cb 0.65 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1nu1 h HIS 45 CO 0.01 0.16 0.00 1.51 0.86 0.00 0.00 177.93 180.47 1nu1 n ILE 46 N -4.57 0.21 0.00 2.45 3.06 -1.20 -4.82 119.36 114.50 1nu1 n ILE 46 Ca 0.21 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1nu1 n ILE 46 Cb 0.69 -0.05 0.00 0.00 0.54 0.00 0.00 39.64 40.82 1nu1 n ILE 46 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nu1 n ASN 47 N -0.11 0.00 0.00 9.51 3.02 0.12 -5.05 115.26 122.75 1nu1 n ASN 47 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1nu1 n ASN 47 Cb 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1nu1 n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nu1 n GLU 48 N 0.00 0.00 -0.05 3.52 1.02 -1.23 -4.97 120.64 118.92 1nu1 n GLU 48 Ca 0.00 0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 1nu1 n GLU 48 Cb 0.00 -1.86 -0.08 0.00 -0.02 0.00 0.00 31.44 29.48 1nu1 n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nu1 n GLY 49 N -1.29 -0.47 3.82 0.62 0.00 -1.26 -4.84 105.19 101.78 1nu1 n GLY 49 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1nu1 n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nu1 s LYS 50 N -2.25 3.40 0.00 1.61 2.36 -1.26 -4.61 119.74 118.99 1nu1 s LYS 50 Ca -0.07 1.04 0.00 0.00 -2.55 0.00 0.00 55.97 54.40 1nu1 s LYS 50 Cb 0.03 -2.05 0.00 0.00 -1.05 0.00 0.00 37.83 34.76 1nu1 s LYS 50 CO 0.41 -0.73 0.00 1.28 1.55 0.00 0.00 175.35 177.86 1nu1 n LEU 51 N -2.25 0.00 0.04 5.43 4.77 -1.26 -4.04 117.00 119.69 1nu1 n LEU 51 Ca 0.08 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1nu1 n LEU 51 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1nu1 n LEU 51 CO 0.50 0.00 -0.42 0.79 -1.33 0.00 0.00 177.39 176.93 1nu1 n TRP 52 N 0.00 0.45 0.30 -1.77 7.02 -1.26 -3.58 117.44 118.60 1nu1 n TRP 52 Ca 0.00 0.13 0.15 0.00 -1.02 0.00 0.00 57.50 56.76 1nu1 n TRP 52 Cb 0.00 -0.73 0.67 0.00 -2.42 0.00 0.00 31.31 28.83 1nu1 n TRP 52 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1nu1 h LYS 53 N 0.00 0.00 0.00 -0.99 1.57 -1.86 -3.25 116.57 112.04 1nu1 h LYS 53 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1nu1 h LYS 53 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1nu1 h LYS 53 CO 0.00 0.00 0.15 -2.39 -0.57 0.00 0.00 179.45 176.65 1nu1 n HIS 54 N -2.56 0.61 -0.02 -1.35 -0.00 -1.24 -1.76 115.22 108.89 1nu1 n HIS 54 Ca 0.00 0.32 -0.06 0.00 -0.00 0.00 0.00 57.72 57.97 1nu1 n HIS 54 Cb 0.17 -0.90 0.13 0.00 -0.00 0.00 0.00 29.99 29.38 1nu1 n HIS 54 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1nu1 h ILE 55 N 0.00 1.28 0.00 0.61 5.03 -1.87 -3.33 117.51 119.24 1nu1 h ILE 55 Ca 0.00 -1.42 0.00 0.00 -0.12 0.00 0.00 64.86 63.32 1nu1 h ILE 55 Cb 0.31 1.40 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 1nu1 h ILE 55 CO 0.00 0.45 0.00 0.29 -0.68 0.00 0.00 178.15 178.21 1nu1 n LYS 56 N -4.08 0.00 -0.29 2.37 5.02 -0.72 -4.54 118.16 115.92 1nu1 n LYS 56 Ca -0.01 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.51 1nu1 n LYS 56 Cb 0.46 -0.12 0.42 0.00 -0.02 0.00 0.00 35.03 35.77 1nu1 n LYS 56 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nu1 n HIS 57 N -0.13 0.85 -0.30 2.13 8.25 -1.26 -4.55 115.22 120.21 1nu1 n HIS 57 Ca 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 1nu1 n HIS 57 Cb 0.00 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 29.77 1nu1 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nu1 n LYS 58 N -5.13 1.23 0.00 -0.41 4.01 -1.25 -4.38 118.16 112.23 1nu1 n LYS 58 Ca 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1nu1 n LYS 58 Cb 0.96 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.48 1nu1 n LYS 58 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1nu1 n TYR 59 N -0.06 0.00 -1.11 2.13 9.36 -1.26 -4.74 117.16 121.47 1nu1 n TYR 59 Ca 0.00 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.99 1nu1 n TYR 59 Cb 0.00 -0.15 0.04 0.00 -0.63 0.00 0.00 39.34 38.60 1nu1 n TYR 59 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1nu1 n GLU 60 N -1.09 2.13 0.00 2.98 1.02 -1.26 -5.22 120.64 119.19 1nu1 n GLU 60 Ca 0.00 -2.15 0.14 0.00 -0.02 0.00 0.00 57.16 55.13 1nu1 n GLU 60 Cb 0.00 -1.87 0.81 0.00 -0.02 0.00 0.00 31.44 30.36 1nu1 n GLU 60 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40