#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n36 s ILE 4 N 0.00 3.12 0.07 -0.18 1.09 0.35 -4.64 121.20 121.02 1n36 s ILE 4 Ca 0.00 -3.68 -0.35 0.00 -1.10 0.00 0.00 60.65 55.52 1n36 s ILE 4 Cb 0.00 -3.06 -0.14 0.00 -1.06 0.00 0.00 42.46 38.20 1n36 s ILE 4 CO 0.00 -0.92 1.60 0.54 -0.10 0.00 0.00 174.94 176.05 1n36 n ARG 5 N 2.66 1.90 -3.66 2.79 1.74 0.12 -2.82 116.66 119.39 1n36 n ARG 5 Ca 0.13 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.60 1n36 n ARG 5 Cb 0.35 -2.44 -0.15 0.00 -1.02 0.00 0.00 32.46 29.19 1n36 n ARG 5 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1n36 s ILE 6 N 1.58 0.53 0.14 0.55 -4.36 -1.26 -1.52 121.20 116.87 1n36 s ILE 6 Ca 0.84 -1.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.06 1n36 s ILE 6 Cb -0.76 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1n36 s ILE 6 CO 0.44 -0.70 0.30 -0.54 0.24 0.00 0.00 174.94 174.67 1n36 s LYS 7 N 1.78 3.46 -0.36 0.37 1.02 -0.45 -3.02 119.74 122.54 1n36 s LYS 7 Ca 0.10 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 1n36 s LYS 7 Cb -0.17 -2.95 0.18 0.00 -0.52 0.00 0.00 37.83 34.38 1n36 s LYS 7 CO -0.29 0.51 0.85 -0.48 -0.92 0.00 0.00 175.35 175.02 1n36 s LEU 8 N -3.09 -0.89 1.00 3.17 0.05 0.04 -0.23 118.68 118.72 1n36 s LEU 8 Ca 0.36 -0.41 -0.12 0.00 0.05 0.00 0.00 54.13 54.00 1n36 s LEU 8 Cb -0.11 1.17 0.19 0.00 -2.05 0.00 0.00 46.19 45.38 1n36 s LEU 8 CO 0.28 -0.10 1.09 0.00 -0.55 0.00 0.00 176.35 177.07 1n36 s ARG 9 N 1.98 0.43 0.00 1.48 3.03 -1.26 -2.32 118.95 122.29 1n36 s ARG 9 Ca 0.15 0.52 0.00 0.00 2.03 0.00 0.00 55.73 58.44 1n36 s ARG 9 Cb -0.01 -1.74 0.00 0.00 -1.03 0.00 0.00 34.95 32.18 1n36 s ARG 9 CO -0.12 -2.73 0.00 0.41 -1.13 0.00 0.00 175.30 171.73 1n36 n GLY 10 N -1.08 1.72 0.02 3.88 0.00 -0.10 -4.23 105.19 105.40 1n36 n GLY 10 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 1n36 n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n36 n PHE 11 N 0.00 0.00 -4.52 1.61 0.99 -1.26 -2.41 117.46 111.87 1n36 n PHE 11 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.13 1n36 n PHE 11 Cb 0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 39.48 38.16 1n36 n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1n36 s ASP 12 N -3.39 4.32 0.07 4.37 -1.08 -1.26 -4.82 116.67 114.87 1n36 s ASP 12 Ca -0.02 -0.26 -0.19 0.00 -0.52 0.00 0.00 52.55 51.56 1n36 s ASP 12 Cb 0.02 -0.90 -0.10 0.00 -1.46 0.00 0.00 42.92 40.48 1n36 s ASP 12 CO 0.20 0.27 1.50 1.12 0.52 0.00 0.00 175.17 178.77 1n36 h HIS 13 N 4.49 0.42 -0.01 -5.34 2.07 -1.99 -3.20 115.15 111.59 1n36 h HIS 13 Ca -0.48 -0.08 0.00 0.00 -2.85 0.00 0.00 60.37 56.96 1n36 h HIS 13 Cb 1.16 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 31.04 1n36 h HIS 13 CO 0.56 0.58 -0.16 1.17 -3.07 0.00 0.00 177.93 177.02 1n36 n LYS 14 N -4.66 1.47 0.00 5.12 4.81 -1.26 -3.11 118.16 120.53 1n36 n LYS 14 Ca -0.04 -1.09 0.00 0.00 -0.87 0.00 0.00 58.31 56.31 1n36 n LYS 14 Cb 0.24 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1n36 n LYS 14 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1n36 n THR 15 N 0.35 0.00 -0.22 3.15 -1.04 -1.25 -0.24 114.28 115.03 1n36 n THR 15 Ca 0.08 0.72 -0.11 0.00 -2.04 0.00 0.00 64.05 62.69 1n36 n THR 15 Cb 0.35 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.32 1n36 n THR 15 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1n36 h LEU 16 N 0.00 -1.77 -0.95 -4.42 6.46 -1.78 5.91 115.31 118.76 1n36 h LEU 16 Ca 0.00 0.26 0.22 0.00 -0.12 0.00 0.00 57.88 58.24 1n36 h LEU 16 Cb 0.00 0.77 -0.18 0.00 -0.73 0.00 0.00 40.66 40.52 1n36 h LEU 16 CO 0.00 -0.35 -0.10 -0.78 -0.62 0.00 0.00 178.44 176.59 1n36 h ASP 17 N -0.26 -0.66 0.42 1.25 1.82 -1.63 0.56 116.42 117.92 1n36 h ASP 17 Ca 0.13 0.27 -0.31 0.00 -0.39 0.00 0.00 57.03 56.74 1n36 h ASP 17 Cb 0.55 0.52 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 1n36 h ASP 17 CO -0.70 -0.32 -1.64 0.00 -1.61 0.00 0.00 179.24 174.98 1n36 h ALA 18 N 1.94 0.41 0.00 -0.78 0.00 0.31 -2.88 119.26 118.26 1n36 h ALA 18 Ca 0.51 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1n36 h ALA 18 Cb 0.92 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n36 h ALA 18 CO -0.92 1.27 0.36 0.45 0.00 0.00 0.00 179.25 180.41 1n36 n SER 19 N -3.37 0.03 0.00 0.00 2.88 1.87 0.72 113.62 115.76 1n36 n SER 19 Ca -0.19 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1n36 n SER 19 Cb 1.04 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1n36 n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n36 n ALA 20 N -1.20 0.55 0.00 -1.46 0.00 -1.05 -4.38 120.51 112.96 1n36 n ALA 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n36 n ALA 20 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1n36 n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1n36 n GLN 21 N -0.36 0.00 0.00 0.00 -0.06 0.22 0.38 117.38 117.56 1n36 n GLN 21 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.09 1n36 n GLN 21 Cb 0.00 -1.41 -0.09 0.00 -4.06 0.00 0.00 30.24 24.68 1n36 n GLN 21 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1n36 n LYS 22 N -0.88 1.07 -3.07 3.69 5.02 -1.22 -4.39 118.16 118.38 1n36 n LYS 22 Ca 0.00 -0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 55.79 1n36 n LYS 22 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1n36 n LYS 22 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1n36 n ILE 23 N -1.23 4.40 0.00 -0.18 -0.00 1.20 -4.80 119.36 118.75 1n36 n ILE 23 Ca 0.04 -5.71 0.00 0.00 -0.00 0.00 0.00 62.75 57.08 1n36 n ILE 23 Cb 0.30 -1.96 0.00 0.00 -0.00 0.00 0.00 39.64 37.98 1n36 n ILE 23 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1n36 n VAL 24 N 0.86 0.00 0.30 1.39 0.31 -1.26 -4.90 118.33 115.05 1n36 n VAL 24 Ca 0.30 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.78 1n36 n VAL 24 Cb 0.35 0.00 0.67 0.00 -0.91 0.00 0.00 33.84 33.95 1n36 n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1n36 h GLU 25 N 0.00 0.00 0.69 5.55 5.08 -1.87 -3.04 114.58 120.99 1n36 h GLU 25 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1n36 h GLU 25 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1n36 h GLU 25 CO 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 179.01 177.64 1n36 h ALA 26 N 2.10 -0.98 0.00 3.43 0.00 -1.87 -1.39 119.26 120.55 1n36 h ALA 26 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1n36 h ALA 26 Cb 0.25 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1n36 h ALA 26 CO 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 179.25 178.19 1n36 n ALA 27 N -2.55 1.94 1.16 0.00 0.00 -1.15 -1.71 120.51 118.20 1n36 n ALA 27 Ca -0.14 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1n36 n ALA 27 Cb 0.40 -1.17 0.23 0.00 0.00 0.00 0.00 19.45 18.92 1n36 n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1n36 n ARG 28 N -0.92 1.66 -1.58 0.00 0.63 -0.52 -3.01 116.66 112.92 1n36 n ARG 28 Ca 0.08 -1.02 0.00 0.00 -0.92 0.00 0.00 57.85 55.99 1n36 n ARG 28 Cb 0.03 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 31.66 1n36 n ARG 28 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1n36 n ARG 29 N 0.29 0.27 0.06 -0.14 1.85 -0.69 -4.49 116.66 113.82 1n36 n ARG 29 Ca 0.12 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 55.12 1n36 n ARG 29 Cb 0.27 -0.02 0.00 0.00 -1.05 0.00 0.00 32.46 31.66 1n36 n ARG 29 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1n36 n SER 30 N 0.12 -0.31 0.01 2.89 3.41 -1.19 -4.89 113.62 113.66 1n36 n SER 30 Ca -0.05 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1n36 n SER 30 Cb 0.97 0.41 0.23 0.00 -0.26 0.00 0.00 64.21 65.56 1n36 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n36 n GLY 31 N 1.09 -1.27 0.00 5.00 0.00 -1.16 -4.17 105.19 104.68 1n36 n GLY 31 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1n36 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n36 n ALA 32 N -1.56 0.00 -3.00 4.61 0.00 -1.26 -4.49 120.51 114.81 1n36 n ALA 32 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1n36 n ALA 32 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1n36 n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1n36 n GLN 33 N 0.00 0.00 -4.25 0.00 3.00 -1.22 -4.30 117.38 110.61 1n36 n GLN 33 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1n36 n GLN 33 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 1n36 n GLN 33 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1n36 n VAL 34 N 0.00 0.00 -0.32 5.09 0.24 -1.26 -2.20 118.33 119.87 1n36 n VAL 34 Ca 0.00 -2.15 0.07 0.00 -2.04 0.00 0.00 64.34 60.22 1n36 n VAL 34 Cb 0.00 0.65 0.20 0.00 -1.47 0.00 0.00 33.84 33.22 1n36 n VAL 34 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1n36 n SER 35 N -1.47 3.26 -0.60 -1.34 7.64 0.54 -4.32 113.62 117.33 1n36 n SER 35 Ca -0.10 -2.15 0.07 0.00 1.01 0.00 0.00 58.87 57.70 1n36 n SER 35 Cb 0.56 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1n36 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n36 n GLY 36 N 0.54 -2.90 3.57 0.23 0.00 -1.21 -4.57 105.19 100.84 1n36 n GLY 36 Ca 0.15 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1n36 n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n36 s PRO 37 N -3.48 2.70 -0.16 1.61 0.04 -1.26 -4.03 135.00 130.41 1n36 s PRO 37 Ca 0.00 -0.80 -0.29 0.00 0.04 0.00 0.00 61.00 59.95 1n36 s PRO 37 Cb 0.00 -5.18 -0.03 0.00 0.04 0.00 0.00 34.50 29.32 1n36 s PRO 37 CO 0.00 -3.46 1.60 0.42 0.04 0.00 0.00 177.00 175.60 1n36 s ILE 38 N 9.71 3.71 0.00 0.56 1.01 0.37 -4.91 121.20 131.66 1n36 s ILE 38 Ca 0.67 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1n36 s ILE 38 Cb -0.03 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1n36 s ILE 38 CO 0.05 -0.20 0.00 -2.65 0.00 0.00 0.00 174.94 172.13 1n36 n PRO 39 N 7.39 0.00 -0.41 2.79 -0.02 -1.26 -0.16 135.00 143.33 1n36 n PRO 39 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1n36 n PRO 39 Cb 0.44 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 1n36 n PRO 39 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n36 n LEU 40 N 0.00 -1.02 -4.64 2.45 0.00 -1.26 -3.69 117.00 108.85 1n36 n LEU 40 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 56.01 55.50 1n36 n LEU 40 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 43.42 42.86 1n36 n LEU 40 CO 0.00 0.00 1.10 -0.81 0.00 0.00 0.00 177.39 177.68 1n36 n PRO 41 N 1.48 1.51 -3.02 1.96 -0.04 -1.26 -4.47 135.00 131.15 1n36 n PRO 41 Ca 0.00 0.55 -0.39 0.00 -0.04 0.00 0.00 63.50 63.61 1n36 n PRO 41 Cb 0.00 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 1n36 n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1n36 s THR 42 N 1.37 4.59 0.12 0.52 2.01 -1.26 -4.58 115.64 118.40 1n36 s THR 42 Ca 0.86 1.60 0.04 0.00 0.31 0.00 0.00 61.69 64.49 1n36 s THR 42 Cb -0.87 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 67.50 1n36 s THR 42 CO 0.48 0.45 0.10 -0.13 -0.69 0.00 0.00 174.62 174.83 1n36 s ARG 43 N -0.62 2.88 0.30 4.92 0.52 -1.26 -5.00 118.95 120.69 1n36 s ARG 43 Ca 0.36 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 1n36 s ARG 43 Cb -0.21 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 1n36 s ARG 43 CO 0.24 0.53 0.09 0.08 0.02 0.00 0.00 175.30 176.26 1n36 s VAL 44 N -1.56 0.75 0.18 3.52 1.01 -1.26 -3.56 120.40 119.48 1n36 s VAL 44 Ca 0.30 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.35 1n36 s VAL 44 Cb -0.11 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1n36 s VAL 44 CO 0.23 0.00 -0.13 -0.13 0.00 0.00 0.00 175.10 175.06 1n36 s ARG 45 N -3.94 1.22 0.14 2.72 1.81 -1.20 -5.05 118.95 114.65 1n36 s ARG 45 Ca 0.36 -1.51 -0.10 0.00 -1.72 0.00 0.00 55.73 52.76 1n36 s ARG 45 Cb 0.07 -0.98 0.00 0.00 -0.45 0.00 0.00 34.95 33.60 1n36 s ARG 45 CO 0.15 0.16 0.29 1.03 -0.68 0.00 0.00 175.30 176.24 1n36 s ARG 46 N -3.52 1.07 0.00 3.54 0.52 -1.26 -3.80 118.95 115.51 1n36 s ARG 46 Ca 0.19 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1n36 s ARG 46 Cb -0.01 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.85 1n36 s ARG 46 CO 0.05 -0.39 0.00 1.19 0.02 0.00 0.00 175.30 176.17 1n36 n PHE 47 N -0.18 0.00 -0.02 -0.53 3.01 -1.17 -5.02 117.46 113.54 1n36 n PHE 47 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1n36 n PHE 47 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 1n36 n PHE 47 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1n36 n THR 48 N -0.10 0.00 -4.37 4.37 -1.04 -1.26 -4.92 114.28 106.96 1n36 n THR 48 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 1n36 n THR 48 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1n36 n THR 48 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n36 s VAL 49 N 0.00 1.92 -0.21 12.58 1.01 -1.17 -4.92 120.40 129.62 1n36 s VAL 49 Ca 0.00 -2.23 -0.32 0.00 0.00 0.00 0.00 61.98 59.43 1n36 s VAL 49 Cb 0.00 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1n36 s VAL 49 CO 0.00 -0.52 2.11 0.00 0.00 0.00 0.00 175.10 176.69 1n36 n ILE 50 N -0.36 0.39 -2.03 2.22 3.06 -1.26 -3.99 119.36 117.38 1n36 n ILE 50 Ca -0.08 -0.29 -0.42 0.00 -2.50 0.00 0.00 62.75 59.46 1n36 n ILE 50 Cb 0.60 -2.09 -0.03 0.00 0.54 0.00 0.00 39.64 38.66 1n36 n ILE 50 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1n36 s ARG 51 N 5.59 4.24 0.52 9.51 0.52 -1.26 -4.68 118.95 133.39 1n36 s ARG 51 Ca 1.01 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 58.43 1n36 s ARG 51 Cb -0.60 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.38 1n36 s ARG 51 CO 0.44 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1n36 n GLY 52 N 3.82 -4.23 2.85 -3.53 0.00 -1.26 -4.73 105.19 98.11 1n36 n GLY 52 Ca 0.14 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1n36 n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n36 n PRO 53 N -1.11 -3.63 -1.45 1.61 -0.04 -1.26 -4.85 135.00 124.26 1n36 n PRO 53 Ca 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1n36 n PRO 53 Cb 0.06 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1n36 n PRO 53 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n36 n PHE 54 N -4.95 -2.93 0.00 0.54 3.01 -1.26 -4.88 117.46 106.98 1n36 n PHE 54 Ca 0.12 1.57 0.00 0.00 1.01 0.00 0.00 57.45 60.15 1n36 n PHE 54 Cb 0.51 -2.47 0.00 0.00 -0.01 0.00 0.00 39.48 37.50 1n36 n PHE 54 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1n36 n LYS 55 N -1.23 0.00 0.00 -1.08 5.02 -1.26 -4.55 118.16 115.06 1n36 n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n36 n LYS 55 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1n36 n LYS 55 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1n36 n HIS 56 N 0.00 0.00 0.00 2.13 8.25 -1.26 -4.87 115.22 119.47 1n36 n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n36 n HIS 56 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1n36 n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1n36 n LYS 57 N 0.00 0.00 0.00 -0.41 4.81 -1.26 -4.67 118.16 116.63 1n36 n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n36 n LYS 57 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1n36 n LYS 57 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n36 n ASP 58 N 9.89 0.00 0.00 3.14 8.00 -1.26 -3.09 116.55 133.23 1n36 n ASP 58 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1n36 n ASP 58 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1n36 n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1n36 n SER 59 N 0.00 0.00 0.00 -2.24 3.41 -1.26 -5.06 113.62 108.47 1n36 n SER 59 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1n36 n SER 59 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1n36 n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n36 n ARG 60 N 0.00 0.00 -1.09 4.33 3.00 -1.18 -4.77 116.66 116.96 1n36 n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1n36 n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1n36 n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1n36 n GLU 61 N -1.61 -2.98 -3.32 5.56 2.13 -1.26 -3.02 120.64 116.15 1n36 n GLU 61 Ca 0.00 2.16 -0.33 0.00 0.66 0.00 0.00 57.16 59.66 1n36 n GLU 61 Cb 0.00 -2.36 -0.06 0.00 0.27 0.00 0.00 31.44 29.30 1n36 n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1n36 s HIS 62 N -1.46 3.46 -0.13 4.31 3.76 -1.26 -3.43 115.29 120.54 1n36 s HIS 62 Ca 0.00 1.03 -0.03 0.00 -0.15 0.00 0.00 55.06 55.90 1n36 s HIS 62 Cb 0.00 -2.37 0.05 0.00 1.11 0.00 0.00 32.58 31.37 1n36 s HIS 62 CO 0.00 0.26 0.06 -0.06 -0.85 0.00 0.00 174.74 174.15 1n36 s PHE 63 N -1.77 0.41 0.00 1.40 2.99 -1.26 -4.90 117.98 114.85 1n36 s PHE 63 Ca 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 56.93 57.11 1n36 s PHE 63 Cb -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 43.02 42.17 1n36 s PHE 63 CO 0.20 -0.44 0.00 0.39 -0.00 0.00 0.00 175.22 175.37 1n36 n GLU 64 N 5.22 3.44 0.00 0.44 1.02 -1.26 -3.06 120.64 126.43 1n36 n GLU 64 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1n36 n GLU 64 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1n36 n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1n36 n LEU 65 N 0.00 0.00 -4.31 -4.62 0.00 -1.25 -4.72 117.00 102.11 1n36 n LEU 65 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 1n36 n LEU 65 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.26 1n36 n LEU 65 CO 0.00 0.00 -0.54 -0.13 0.00 0.00 0.00 177.39 176.72 1n36 s ARG 66 N -1.27 2.63 -0.38 1.96 0.52 -1.26 -3.22 118.95 117.92 1n36 s ARG 66 Ca 0.00 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1n36 s ARG 66 Cb 0.00 -2.24 0.56 0.00 0.52 0.00 0.00 34.95 33.79 1n36 s ARG 66 CO 0.00 0.40 1.66 0.25 0.02 0.00 0.00 175.30 177.63 1n36 n THR 67 N 2.92 2.88 0.00 0.02 -2.24 -1.19 -4.04 114.28 112.64 1n36 n THR 67 Ca -0.17 -2.56 0.00 0.00 -2.27 0.00 0.00 64.05 59.04 1n36 n THR 67 Cb 0.52 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1n36 n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1n36 n HIS 68 N -1.10 0.00 -2.38 4.78 -0.00 -1.01 -2.53 115.22 112.99 1n36 n HIS 68 Ca 0.46 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.76 1n36 n HIS 68 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 31.19 1n36 n HIS 68 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1n36 s ASN 69 N 0.00 6.99 0.15 0.41 2.20 -1.26 -0.92 114.94 122.50 1n36 s ASN 69 Ca 0.00 1.94 0.07 0.00 -0.94 0.00 0.00 52.86 53.93 1n36 s ASN 69 Cb 0.00 -2.56 -0.04 0.00 -2.00 0.00 0.00 41.25 36.65 1n36 s ASN 69 CO 0.00 -0.61 -0.15 -0.13 -2.94 0.00 0.00 177.10 173.27 1n36 s ARG 70 N 2.09 1.15 0.04 3.55 0.52 -0.98 -4.28 118.95 121.04 1n36 s ARG 70 Ca 0.59 -1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1n36 s ARG 70 Cb -0.28 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.09 1n36 s ARG 70 CO 0.24 0.21 -0.02 -1.17 0.02 0.00 0.00 175.30 174.58 1n36 s LEU 71 N -2.64 2.35 0.00 2.53 1.98 0.77 -0.78 118.68 122.89 1n36 s LEU 71 Ca 0.13 -0.82 0.00 0.00 -2.89 0.00 0.00 54.13 50.55 1n36 s LEU 71 Cb -0.04 0.22 0.00 0.00 0.66 0.00 0.00 46.19 47.02 1n36 s LEU 71 CO 0.05 -0.51 0.00 0.52 -1.89 0.00 0.00 176.35 174.51 1n36 n VAL 72 N 0.56 0.00 -0.37 1.68 0.31 -1.17 0.14 118.33 119.49 1n36 n VAL 72 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1n36 n VAL 72 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1n36 n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1n36 n ASP 73 N -0.05 0.00 -4.72 4.52 4.64 -1.25 -3.36 116.55 116.33 1n36 n ASP 73 Ca 0.00 0.20 -0.42 0.00 -1.38 0.00 0.00 54.79 53.19 1n36 n ASP 73 Cb 0.00 -0.30 -0.04 0.00 -1.04 0.00 0.00 41.12 39.75 1n36 n ASP 73 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1n36 s ILE 74 N 0.00 4.36 -0.15 5.18 -4.36 -1.13 -0.34 121.20 124.77 1n36 s ILE 74 Ca 0.00 1.82 -0.20 0.00 -0.26 0.00 0.00 60.65 62.01 1n36 s ILE 74 Cb 0.00 -4.17 -0.03 0.00 1.25 0.00 0.00 42.46 39.51 1n36 s ILE 74 CO 0.00 0.21 0.59 -0.51 0.24 0.00 0.00 174.94 175.47 1n36 s ILE 75 N 0.49 5.08 0.21 8.37 2.07 -0.94 -0.19 121.20 136.30 1n36 s ILE 75 Ca 0.52 1.15 0.00 0.00 -1.41 0.00 0.00 60.65 60.91 1n36 s ILE 75 Cb -0.25 -3.92 0.00 0.00 0.13 0.00 0.00 42.46 38.42 1n36 s ILE 75 CO 0.30 0.21 0.00 0.59 -1.91 0.00 0.00 174.94 174.13 1n36 n ASN 76 N 4.35 -8.02 -3.06 4.50 5.03 -1.26 -3.60 115.26 113.19 1n36 n ASN 76 Ca -0.03 1.17 0.00 0.00 0.87 0.00 0.00 54.58 56.59 1n36 n ASN 76 Cb 0.51 -4.42 0.00 0.00 -1.02 0.00 0.00 39.78 34.85 1n36 n ASN 76 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1n36 n PRO 77 N 1.39 1.18 0.00 3.52 -0.04 -1.26 -3.91 135.00 135.89 1n36 n PRO 77 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1n36 n PRO 77 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1n36 n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1n36 n ASN 78 N 0.00 0.00 0.00 3.54 5.15 -1.26 -4.20 115.26 118.49 1n36 n ASN 78 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1n36 n ASN 78 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1n36 n ASN 78 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1n36 n ARG 79 N 0.00 0.00 0.07 1.20 3.00 -1.26 -3.98 116.66 115.69 1n36 n ARG 79 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1n36 n ARG 79 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 32.46 30.73 1n36 n ARG 79 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1n36 h LYS 80 N 0.03 0.35 0.07 -0.14 6.56 -1.89 0.91 116.57 122.46 1n36 h LYS 80 Ca 0.00 -0.38 -0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1n36 h LYS 80 Cb 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1n36 h LYS 80 CO 0.00 1.07 -0.04 1.15 -2.06 0.00 0.00 179.45 179.57 1n36 h THR 81 N 0.19 0.81 -0.53 -0.16 2.02 -1.72 1.78 112.91 115.30 1n36 h THR 81 Ca -0.07 -1.42 0.15 0.00 0.77 0.00 0.00 66.41 65.85 1n36 h THR 81 Cb 1.57 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1n36 h THR 81 CO 0.16 0.25 0.58 0.40 0.37 0.00 0.00 175.52 177.28 1n36 h ILE 82 N -0.96 0.30 0.00 3.11 2.04 -1.83 -0.02 117.51 120.15 1n36 h ILE 82 Ca -0.01 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.48 1n36 h ILE 82 Cb 0.49 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1n36 h ILE 82 CO 0.02 0.00 -2.41 -0.62 0.00 0.00 0.00 178.15 175.13 1n36 n GLU 83 N -3.63 0.68 -2.04 2.37 4.71 0.32 -3.12 120.64 119.92 1n36 n GLU 83 Ca 0.10 0.10 -0.41 0.00 -0.01 0.00 0.00 57.16 56.94 1n36 n GLU 83 Cb 0.78 -1.51 -0.01 0.00 -1.01 0.00 0.00 31.44 29.69 1n36 n GLU 83 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1n36 n GLN 84 N -3.07 2.66 0.00 3.49 6.02 0.61 -1.93 117.38 125.16 1n36 n GLN 84 Ca -0.41 -2.76 0.00 0.00 -0.01 0.00 0.00 57.00 53.82 1n36 n GLN 84 Cb 1.03 -3.39 0.00 0.00 1.02 0.00 0.00 30.24 28.91 1n36 n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n36 n LEU 85 N 8.26 0.00 0.00 1.08 4.77 -1.25 -3.46 117.00 126.40 1n36 n LEU 85 Ca 0.50 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1n36 n LEU 85 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1n36 n LEU 85 CO 0.84 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 177.70 1n36 n MET 86 N -0.26 0.18 -0.16 3.23 1.56 -0.81 -4.35 117.12 116.51 1n36 n MET 86 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.41 1n36 n MET 86 Cb 0.00 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.41 1n36 n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1n36 n THR 87 N 0.00 1.04 -1.52 1.12 -2.24 -1.26 -4.55 114.28 106.86 1n36 n THR 87 Ca 0.00 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 1n36 n THR 87 Cb 0.00 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 1n36 n THR 87 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n36 n LEU 88 N 0.21 4.49 0.00 3.22 4.77 -1.26 -4.89 117.00 123.54 1n36 n LEU 88 Ca 0.07 -3.25 -0.05 0.00 -0.03 0.00 0.00 56.01 52.75 1n36 n LEU 88 Cb 0.58 -1.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1n36 n LEU 88 CO 0.07 -0.31 0.14 -0.90 -1.33 0.00 0.00 177.39 175.06 1n36 n ASP 89 N 8.50 0.09 0.00 -1.43 3.85 -1.26 -4.89 116.55 121.41 1n36 n ASP 89 Ca 0.49 -1.12 0.00 0.00 -0.71 0.00 0.00 54.79 53.45 1n36 n ASP 89 Cb 0.42 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 1n36 n ASP 89 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1n36 n LEU 90 N 0.00 0.00 -4.71 -2.12 0.00 -1.26 -5.16 117.00 103.75 1n36 n LEU 90 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.71 1n36 n LEU 90 Cb 0.10 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.64 1n36 n LEU 90 CO 0.07 0.00 0.74 -2.16 0.00 0.00 0.00 177.39 176.04 1n36 s PRO 91 N 0.00 1.73 0.00 1.96 0.04 -1.26 -5.04 135.00 132.43 1n36 s PRO 91 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1n36 s PRO 91 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1n36 s PRO 91 CO 0.00 -2.11 0.00 2.41 0.04 0.00 0.00 177.00 177.34 1n36 n THR 92 N -3.39 0.00 0.17 1.26 -1.04 -1.26 -4.84 114.28 105.19 1n36 n THR 92 Ca 0.12 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.22 1n36 n THR 92 Cb 0.51 -0.55 0.43 0.00 -1.82 0.00 0.00 70.33 68.90 1n36 n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n36 n GLY 93 N 2.26 -0.85 3.55 3.41 0.00 -1.26 -4.75 105.19 107.56 1n36 n GLY 93 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1n36 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n36 s VAL 94 N -3.37 2.20 0.45 1.61 1.01 -1.26 -4.58 120.40 116.46 1n36 s VAL 94 Ca -0.01 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 59.85 1n36 s VAL 94 Cb 0.05 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1n36 s VAL 94 CO 0.18 -0.18 0.05 -1.83 0.00 0.00 0.00 175.10 173.32 1n36 s GLU 95 N -3.62 2.08 -0.01 2.72 1.03 -1.26 -5.05 118.70 114.59 1n36 s GLU 95 Ca 0.33 -2.16 -0.07 0.00 0.03 0.00 0.00 54.97 53.10 1n36 s GLU 95 Cb 0.03 -1.68 0.00 0.00 -0.80 0.00 0.00 34.13 31.69 1n36 s GLU 95 CO 0.17 -0.18 0.13 0.42 -1.33 0.00 0.00 175.26 174.47 1n36 s ILE 96 N -2.75 0.07 -0.17 1.83 1.01 -1.26 -4.42 121.20 115.52 1n36 s ILE 96 Ca 0.27 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1n36 s ILE 96 Cb 0.06 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1n36 s ILE 96 CO 0.14 -0.31 -0.15 -1.61 0.00 0.00 0.00 174.94 173.01 1n36 s GLU 97 N -1.11 3.20 -0.19 2.79 0.41 0.67 -4.97 118.70 119.50 1n36 s GLU 97 Ca -0.12 -0.75 -0.06 0.00 -0.41 0.00 0.00 54.97 53.63 1n36 s GLU 97 Cb -0.06 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1n36 s GLU 97 CO 0.01 -0.04 0.03 0.96 -0.49 0.00 0.00 175.26 175.73 1n36 s ILE 98 N 0.96 4.31 0.30 -1.63 -5.25 -1.26 -1.34 121.20 117.29 1n36 s ILE 98 Ca -0.03 -0.20 -0.12 0.00 -0.99 0.00 0.00 60.65 59.32 1n36 s ILE 98 Cb -0.15 -2.95 0.01 0.00 2.95 0.00 0.00 42.46 42.33 1n36 s ILE 98 CO -0.02 0.44 0.56 -0.54 -1.79 0.00 0.00 174.94 173.58 1n36 s LYS 99 N 0.72 1.78 0.00 0.37 1.02 -0.58 -5.03 119.74 118.03 1n36 s LYS 99 Ca 0.01 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1n36 s LYS 99 Cb -0.14 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1n36 s LYS 99 CO 0.02 -0.77 0.00 2.41 -0.92 0.00 0.00 175.35 176.09