#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhn n ALA 4 N 0.00 -1.23 -0.64 5.41 0.00 -1.26 -4.83 120.51 117.96 1nhn n ALA 4 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1nhn n ALA 4 Cb 0.00 -0.09 0.19 0.00 0.00 0.00 0.00 19.45 19.55 1nhn n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nhn n PRO 5 N -0.77 -1.50 -3.71 0.00 -0.02 -1.26 -5.03 135.00 122.71 1nhn n PRO 5 Ca -0.04 -0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 60.74 1nhn n PRO 5 Cb 0.09 -1.94 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 1nhn n PRO 5 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1nhn s LYS 6 N -3.90 0.62 0.00 -0.52 -2.85 -1.26 -5.05 119.74 106.78 1nhn s LYS 6 Ca 0.61 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 1nhn s LYS 6 Cb -0.19 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1nhn s LYS 6 CO 0.65 -0.85 0.00 0.54 0.10 0.00 0.00 175.35 175.79 1nhn n ARG 7 N 4.99 0.00 -0.33 1.78 3.00 -1.26 -4.93 116.66 119.91 1nhn n ARG 7 Ca -0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.64 1nhn n ARG 7 Cb 0.44 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.03 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1nhn n PRO 8 N 0.23 -2.63 -0.63 5.56 -0.02 -1.26 -4.98 135.00 131.26 1nhn n PRO 8 Ca 0.00 -0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 60.49 1nhn n PRO 8 Cb 0.00 -0.85 0.01 0.00 -0.02 0.00 0.00 33.50 32.65 1nhn n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nhn n PRO 9 N -3.43 0.00 -1.46 0.52 -0.02 -1.26 -4.94 135.00 124.41 1nhn n PRO 9 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1nhn n PRO 9 Cb 0.29 -0.54 0.09 0.00 -0.02 0.00 0.00 33.50 33.31 1nhn n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nhn n SER 10 N 1.54 1.85 0.00 2.55 2.88 -1.26 -4.79 113.62 116.39 1nhn n SER 10 Ca 0.03 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 1nhn n SER 10 Cb 0.27 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nhn n ALA 11 N -0.38 0.00 0.18 -1.46 0.00 -1.26 -4.51 120.51 113.08 1nhn n ALA 11 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1nhn n ALA 11 Cb 0.92 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.66 1nhn n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1nhn h PHE 12 N 0.00 0.00 -0.53 0.00 3.57 -1.94 -3.13 116.94 114.91 1nhn h PHE 12 Ca 0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1nhn h PHE 12 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1nhn h PHE 12 CO 0.00 0.39 0.00 0.35 -2.23 0.00 0.00 178.31 176.82 1nhn h PHE 13 N 0.00 1.01 0.26 0.41 3.04 -1.93 0.29 116.94 120.02 1nhn h PHE 13 Ca -0.00 -0.17 0.01 0.00 3.98 0.00 0.00 57.97 61.78 1nhn h PHE 13 Cb 0.96 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.17 1nhn h PHE 13 CO 0.00 0.93 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.67 1nhn h LEU 14 N 0.80 -1.39 -0.81 0.59 -0.00 -1.93 -1.52 115.31 111.05 1nhn h LEU 14 Ca 0.15 0.14 0.15 0.00 -0.00 0.00 0.00 57.88 58.32 1nhn h LEU 14 Cb 0.52 0.50 -0.10 0.00 -0.00 0.00 0.00 40.66 41.58 1nhn h LEU 14 CO 0.03 -0.57 0.38 0.15 -0.00 0.00 0.00 178.44 178.42 1nhn h PHE 15 N -0.81 0.65 -0.18 1.13 3.57 -1.58 -0.80 116.94 118.92 1nhn h PHE 15 Ca -0.02 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1nhn h PHE 15 Cb 0.77 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1nhn h PHE 15 CO -0.35 0.11 0.21 0.00 -2.23 0.00 0.00 178.31 176.05 1nhn h SER 17 N 0.00 0.00 -0.98 0.00 0.02 -0.77 -3.00 113.55 108.81 1nhn h SER 17 Ca 0.09 -0.34 0.24 0.00 -0.84 0.00 0.00 61.79 60.94 1nhn h SER 17 Cb 0.51 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.92 1nhn h SER 17 CO -0.00 1.20 0.55 -0.33 -1.14 0.00 0.00 176.83 177.11 1nhn h GLU 18 N -1.00 0.51 0.02 3.45 4.39 -1.10 -3.12 114.58 117.73 1nhn h GLU 18 Ca -0.21 -0.03 -0.38 0.00 0.34 0.00 0.00 59.36 59.08 1nhn h GLU 18 Cb 0.99 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 1nhn h GLU 18 CO -0.13 0.34 -2.37 0.66 -1.16 0.00 0.00 179.01 176.35 1nhn n TYR 19 N -4.93 0.25 -0.18 4.33 4.02 -0.65 -4.64 117.16 115.36 1nhn n TYR 19 Ca 0.26 0.06 -0.04 0.00 -0.01 0.00 0.00 57.90 58.16 1nhn n TYR 19 Cb 0.74 -1.03 -0.04 0.00 -0.02 0.00 0.00 39.34 38.99 1nhn n TYR 19 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1nhn n ARG 20 N -3.25 -0.18 0.08 -0.72 0.63 -1.13 -0.27 116.66 111.82 1nhn n ARG 20 Ca -0.42 0.64 0.12 0.00 -0.92 0.00 0.00 57.85 57.27 1nhn n ARG 20 Cb 1.02 -0.94 0.45 0.00 0.45 0.00 0.00 32.46 33.44 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1nhn n PRO 21 N -4.53 0.16 -0.07 -0.14 -0.04 -1.26 -0.77 135.00 128.34 1nhn n PRO 21 Ca 0.01 0.28 -0.20 0.00 -0.04 0.00 0.00 63.50 63.54 1nhn n PRO 21 Cb 0.11 -1.74 -0.12 0.00 -0.04 0.00 0.00 33.50 31.71 1nhn n PRO 21 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1nhn h LYS 22 N 0.00 0.06 -0.05 0.54 1.57 -0.90 -2.52 116.57 115.27 1nhn h LYS 22 Ca 0.00 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1nhn h LYS 22 Cb 0.47 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1nhn h LYS 22 CO 0.00 1.05 -0.03 -0.84 -0.57 0.00 0.00 179.45 179.06 1nhn h ILE 23 N -0.81 1.33 -0.87 1.86 3.07 -1.44 -2.30 117.51 118.35 1nhn h ILE 23 Ca -0.29 -1.05 0.17 0.00 1.55 0.00 0.00 64.86 65.24 1nhn h ILE 23 Cb 1.38 1.92 -0.07 0.00 -0.27 0.00 0.00 36.82 39.79 1nhn h ILE 23 CO -0.11 0.29 0.57 0.50 -1.05 0.00 0.00 178.15 178.35 1nhn h LYS 24 N -0.28 0.52 -0.67 0.16 3.64 -1.11 0.94 116.57 119.77 1nhn h LYS 24 Ca 0.01 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1nhn h LYS 24 Cb 0.47 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1nhn h LYS 24 CO 0.01 0.34 0.44 0.78 -2.27 0.00 0.00 179.45 178.75 1nhn h GLY 25 N 0.53 0.90 0.50 5.01 0.00 -0.96 -0.91 103.07 108.15 1nhn h GLY 25 Ca 0.45 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1nhn h GLY 25 CO -0.19 0.25 -1.14 1.18 0.00 0.00 0.00 176.54 176.65 1nhn n GLU 26 N -4.46 0.33 -3.19 4.80 -0.58 0.88 -4.44 120.64 113.97 1nhn n GLU 26 Ca 0.09 -0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.53 1nhn n GLU 26 Cb 0.16 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nhn n HIS 27 N -2.01 3.75 -0.85 -0.32 8.25 0.29 -4.82 115.22 119.50 1nhn n HIS 27 Ca 0.01 -4.00 -0.14 0.00 -0.26 0.00 0.00 57.72 53.34 1nhn n HIS 27 Cb 0.45 -0.57 0.02 0.00 1.12 0.00 0.00 29.99 31.01 1nhn n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1nhn n PRO 28 N 0.40 1.68 0.00 -0.41 -0.04 -0.86 -3.46 135.00 132.30 1nhn n PRO 28 Ca 0.31 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 1nhn n PRO 28 Cb 0.40 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1nhn n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nhn n GLY 29 N 0.69 0.00 0.00 0.55 0.00 -1.26 -5.09 105.19 100.08 1nhn n GLY 29 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1nhn n GLY 29 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1nhn n LEU 30 N -1.50 0.00 0.00 0.99 -0.00 -1.22 -5.16 117.00 110.10 1nhn n LEU 30 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 1nhn n LEU 30 Cb 0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.69 1nhn n LEU 30 CO 0.00 -0.19 -0.17 -0.24 -0.00 0.00 0.00 177.39 176.79 1nhn n SER 31 N -1.59 3.01 -0.91 1.45 2.88 -1.26 -4.98 113.62 112.22 1nhn n SER 31 Ca 0.00 -2.62 0.02 0.00 -1.33 0.00 0.00 58.87 54.94 1nhn n SER 31 Cb 0.00 0.25 0.12 0.00 -0.75 0.00 0.00 64.21 63.83 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nhn n ILE 32 N -0.93 0.81 -0.03 2.46 3.06 -1.26 -1.35 119.36 122.13 1nhn n ILE 32 Ca -0.15 -0.41 -0.03 0.00 -2.50 0.00 0.00 62.75 59.66 1nhn n ILE 32 Cb 0.47 -0.44 -0.04 0.00 0.54 0.00 0.00 39.64 40.17 1nhn n ILE 32 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1nhn n GLY 33 N 0.18 -0.26 0.18 4.50 0.00 -1.26 -4.28 105.19 104.25 1nhn n GLY 33 Ca 0.08 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1nhn n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nhn n ASP 34 N -2.20 1.91 0.20 1.61 -0.08 -0.97 -2.57 116.55 114.46 1nhn n ASP 34 Ca -0.09 0.17 0.05 0.00 -1.51 0.00 0.00 54.79 53.42 1nhn n ASP 34 Cb 0.67 -0.63 0.51 0.00 2.34 0.00 0.00 41.12 44.01 1nhn n ASP 34 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1nhn h VAL 35 N -0.63 1.10 -0.08 5.18 3.04 -1.51 0.11 116.25 123.47 1nhn h VAL 35 Ca -0.61 -0.46 -0.12 0.00 -1.01 0.00 0.00 66.70 64.50 1nhn h VAL 35 Cb 1.65 1.17 0.01 0.00 -2.01 0.00 0.00 31.29 32.11 1nhn h VAL 35 CO -0.30 0.14 -0.41 0.00 -1.01 0.00 0.00 177.57 175.99 1nhn h ALA 36 N 1.83 0.16 -0.56 3.17 0.00 -1.74 -1.95 119.26 120.17 1nhn h ALA 36 Ca 0.02 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1nhn h ALA 36 Cb 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1nhn h ALA 36 CO 0.01 0.28 0.17 -0.22 0.00 0.00 0.00 179.25 179.49 1nhn h LYS 37 N -0.03 0.31 0.37 0.00 1.63 -0.61 0.13 116.57 118.37 1nhn h LYS 37 Ca -0.03 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1nhn h LYS 37 Cb 1.07 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 1nhn h LYS 37 CO 0.09 0.21 -0.24 0.87 -3.45 0.00 0.00 179.45 176.92 1nhn h LYS 38 N 0.32 -0.57 -0.47 1.90 1.57 -0.85 -2.07 116.57 116.41 1nhn h LYS 38 Ca 0.28 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.19 1nhn h LYS 38 Cb 0.37 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 1nhn h LYS 38 CO -0.32 -0.38 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.05 1nhn h LEU 39 N -0.59 -0.32 -1.46 2.94 3.38 -0.67 0.21 115.31 118.79 1nhn h LEU 39 Ca -0.04 0.13 0.48 0.00 0.09 0.00 0.00 57.88 58.54 1nhn h LEU 39 Cb 0.50 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 1nhn h LEU 39 CO 0.03 -0.11 0.98 0.61 0.09 0.00 0.00 178.44 180.04 1nhn n GLY 40 N -1.32 -0.83 0.12 0.83 0.00 0.39 -1.53 105.19 102.84 1nhn n GLY 40 Ca 0.04 0.70 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 1nhn n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nhn n GLU 41 N -4.35 0.56 -0.31 1.61 -0.58 0.33 -4.55 120.64 113.35 1nhn n GLU 41 Ca 0.39 0.32 0.31 0.00 -0.42 0.00 0.00 57.16 57.76 1nhn n GLU 41 Cb 1.60 -1.54 0.68 0.00 -0.57 0.00 0.00 31.44 31.61 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nhn h MET 42 N -1.00 0.11 -0.34 3.49 2.86 0.34 -1.03 114.93 119.37 1nhn h MET 42 Ca -0.43 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1nhn h MET 42 Cb 1.34 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 1nhn h MET 42 CO -0.26 0.08 0.22 2.35 1.06 0.00 0.00 176.91 180.36 1nhn h TRP 43 N 0.12 0.43 0.00 -0.22 2.91 -1.55 0.38 115.95 118.02 1nhn h TRP 43 Ca 0.56 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.59 1nhn h TRP 43 Cb 1.98 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 30.49 1nhn h TRP 43 CO -0.00 0.27 0.00 -0.91 -1.03 0.00 0.00 178.44 176.77 1nhn h ASN 44 N 0.45 0.00 -0.66 2.65 2.35 -1.44 -1.81 115.58 117.13 1nhn h ASN 44 Ca 0.12 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1nhn h ASN 44 Cb -0.04 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 1nhn h ASN 44 CO -0.03 0.00 0.13 0.59 -1.65 0.00 0.00 177.43 176.47 1nhn n ASN 45 N -2.45 5.39 -0.56 5.81 3.02 0.08 -4.89 115.26 121.66 1nhn n ASN 45 Ca 0.01 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1nhn n ASN 45 Cb 0.20 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1nhn n ASN 45 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1nhn n THR 46 N 0.28 0.00 -1.29 3.41 5.66 -0.68 -4.97 114.28 116.69 1nhn n THR 46 Ca 0.34 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1nhn n THR 46 Cb 1.30 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 70.30 1nhn n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nhn n ALA 47 N -3.00 3.85 -0.81 1.79 0.00 -1.26 -4.95 120.51 116.13 1nhn n ALA 47 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1nhn n ALA 47 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1nhn n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nhn n ALA 48 N -0.95 -0.18 0.00 0.00 0.00 -1.26 -3.75 120.51 114.37 1nhn n ALA 48 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nhn n ALA 48 Cb 0.99 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1nhn n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nhn n ASP 49 N -0.04 0.97 -0.69 0.00 -0.08 -1.26 -4.75 116.55 110.70 1nhn n ASP 49 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 1nhn n ASP 49 Cb 0.09 0.13 0.24 0.00 2.34 0.00 0.00 41.12 43.92 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nhn n ASP 50 N -0.63 2.02 -0.04 1.67 9.92 -1.25 -3.55 116.55 124.69 1nhn n ASP 50 Ca 0.00 -1.90 -0.11 0.00 -0.53 0.00 0.00 54.79 52.25 1nhn n ASP 50 Cb 0.07 -0.21 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1nhn n LYS 51 N 0.58 0.66 -0.35 -1.24 5.02 -1.26 -4.33 118.16 117.23 1nhn n LYS 51 Ca 0.14 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 1nhn n LYS 51 Cb 0.34 -1.72 0.19 0.00 -0.02 0.00 0.00 35.03 33.82 1nhn n LYS 51 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1nhn h GLN 52 N 0.01 0.00 -0.01 1.97 1.08 -1.91 0.20 115.11 116.45 1nhn h GLN 52 Ca -0.36 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1nhn h GLN 52 Cb 2.06 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.48 1nhn h GLN 52 CO 0.07 0.00 -0.03 -1.00 -0.95 0.00 0.00 178.83 176.92 1nhn h PRO 53 N 0.00 -0.02 -0.86 1.46 0.13 -1.83 -1.10 132.00 129.78 1nhn h PRO 53 Ca 0.52 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.87 1nhn h PRO 53 Cb 0.91 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.91 1nhn h PRO 53 CO -0.99 -0.02 0.28 1.88 -0.23 0.00 0.00 178.00 178.93 1nhn h TYR 54 N -0.02 0.45 0.36 1.56 0.05 -1.41 -1.64 116.97 116.31 1nhn h TYR 54 Ca 0.00 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1nhn h TYR 54 Cb 0.03 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1nhn h TYR 54 CO -0.52 -0.13 -0.34 0.93 -1.05 0.00 0.00 178.16 177.06 1nhn h GLU 55 N 0.29 -0.66 -1.61 4.88 4.39 -0.34 0.17 114.58 121.71 1nhn h GLU 55 Ca 0.53 0.04 0.50 0.00 0.34 0.00 0.00 59.36 60.78 1nhn h GLU 55 Cb 1.03 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.72 1nhn h GLU 55 CO -0.58 -0.44 1.10 0.87 -1.16 0.00 0.00 179.01 178.80 1nhn h LYS 56 N -0.68 0.02 0.03 2.33 1.57 -0.20 0.35 116.57 119.98 1nhn h LYS 56 Ca -0.05 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1nhn h LYS 56 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1nhn h LYS 56 CO -0.03 0.02 -0.01 0.87 -0.57 0.00 0.00 179.45 179.72 1nhn h LYS 57 N 0.02 -0.04 -0.83 3.15 1.57 -1.24 -2.10 116.57 117.12 1nhn h LYS 57 Ca 0.87 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.86 1nhn h LYS 57 Cb 3.14 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 35.32 1nhn h LYS 57 CO -0.23 -0.02 0.13 0.00 -0.57 0.00 0.00 179.45 178.75 1nhn h ALA 58 N -1.26 1.05 0.15 3.86 0.00 0.24 0.12 119.26 123.43 1nhn h ALA 58 Ca -0.00 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1nhn h ALA 58 Cb 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nhn h ALA 58 CO 0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 179.25 178.52 1nhn h ALA 59 N 1.76 -0.52 -0.67 0.00 0.00 -0.48 -0.31 119.26 119.04 1nhn h ALA 59 Ca 0.49 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.46 1nhn h ALA 59 Cb 0.94 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 1nhn h ALA 59 CO -0.67 -0.84 -0.36 -0.22 0.00 0.00 0.00 179.25 177.16 1nhn h LYS 60 N -0.53 -0.13 0.28 0.00 1.63 -0.03 0.15 116.57 117.94 1nhn h LYS 60 Ca 0.02 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1nhn h LYS 60 Cb 0.54 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1nhn h LYS 60 CO -0.15 -0.09 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.56 1nhn h LEU 61 N -0.14 -0.32 -0.76 5.20 3.38 -1.05 -1.27 115.31 120.35 1nhn h LEU 61 Ca 0.25 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1nhn h LEU 61 Cb 0.56 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1nhn h LEU 61 CO -0.74 -0.14 0.47 0.11 0.09 0.00 0.00 178.44 178.23 1nhn h LYS 62 N -0.48 0.87 0.55 1.13 1.57 -0.58 -1.60 116.57 118.03 1nhn h LYS 62 Ca -0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1nhn h LYS 62 Cb 0.36 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nhn h LYS 62 CO 0.06 0.57 -0.50 1.49 -0.57 0.00 0.00 179.45 180.51 1nhn h GLU 63 N 0.89 -1.00 -0.51 3.15 4.81 -0.63 -0.29 114.58 121.00 1nhn h GLU 63 Ca 0.32 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1nhn h GLU 63 Cb 0.08 0.23 -0.09 0.00 0.63 0.00 0.00 28.75 29.60 1nhn h GLU 63 CO -0.14 -0.67 -0.50 0.87 -0.73 0.00 0.00 179.01 177.85 1nhn h LYS 64 N -1.04 -0.29 -0.15 1.92 6.56 -0.74 -2.26 116.57 120.56 1nhn h LYS 64 Ca -0.07 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1nhn h LYS 64 Cb 0.89 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.59 1nhn h LYS 64 CO -0.03 -0.20 -0.19 -0.92 -2.06 0.00 0.00 179.45 176.06 1nhn h TYR 65 N -0.30 -0.57 -0.99 -1.35 3.20 -0.97 0.73 116.97 116.72 1nhn h TYR 65 Ca 0.13 0.03 0.29 0.00 3.14 0.00 0.00 58.73 62.31 1nhn h TYR 65 Cb 0.57 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1nhn h TYR 65 CO -0.73 -0.16 1.12 0.93 -1.64 0.00 0.00 178.16 177.68 1nhn h GLU 66 N -0.12 0.00 0.01 1.82 4.39 -0.47 0.35 114.58 120.56 1nhn h GLU 66 Ca 0.03 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 1nhn h GLU 66 Cb 0.19 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1nhn h GLU 66 CO -0.21 0.00 -1.79 1.63 -1.16 0.00 0.00 179.01 177.48 1nhn n LYS 67 N -3.35 0.59 0.11 2.33 4.01 -0.39 -2.76 118.16 118.71 1nhn n LYS 67 Ca 0.22 0.43 0.16 0.00 -0.51 0.00 0.00 58.31 58.61 1nhn n LYS 67 Cb 1.42 -1.65 0.69 0.00 -0.51 0.00 0.00 35.03 34.98 1nhn n LYS 67 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1nhn h ASP 68 N -0.87 0.00 0.01 4.39 5.19 0.98 0.80 116.42 126.91 1nhn h ASP 68 Ca -0.48 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.86 1nhn h ASP 68 Cb 1.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 1nhn h ASP 68 CO -0.25 0.00 -0.34 -0.29 -3.12 0.00 0.00 179.24 175.24 1nhn h ILE 69 N 0.00 1.59 0.00 0.35 -0.00 -0.56 -1.04 117.51 117.85 1nhn h ILE 69 Ca 0.15 -2.33 0.00 0.00 -0.00 0.00 0.00 64.86 62.68 1nhn h ILE 69 Cb 0.61 3.14 0.00 0.00 -0.00 0.00 0.00 36.82 40.57 1nhn h ILE 69 CO -0.00 0.56 0.01 0.00 -0.00 0.00 0.00 178.15 178.72 1nhn h ALA 70 N -0.09 1.01 0.01 0.18 0.00 -0.96 -0.81 119.26 118.60 1nhn h ALA 70 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1nhn h ALA 70 Cb 1.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1nhn h ALA 70 CO -0.03 -0.01 -1.19 0.00 0.00 0.00 0.00 179.25 178.02 1nhn h ALA 71 N 1.97 0.25 -0.67 0.00 0.00 0.56 -1.55 119.26 119.81 1nhn h ALA 71 Ca 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 54.91 53.88 1nhn h ALA 71 Cb 0.03 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1nhn h ALA 71 CO 0.00 0.68 0.19 -0.92 0.00 0.00 0.00 179.25 179.19 1nhn h TYR 72 N -0.93 0.31 0.00 0.00 3.20 0.11 -1.46 116.97 118.20 1nhn h TYR 72 Ca -0.32 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1nhn h TYR 72 Cb 1.33 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1nhn h TYR 72 CO 0.11 -0.01 -1.15 0.54 -1.64 0.00 0.00 178.16 176.01 1nhn n ARG 73 N -5.10 0.54 -0.03 1.82 1.74 -0.44 -4.48 116.66 110.72 1nhn n ARG 73 Ca 0.11 0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 1nhn n ARG 73 Cb 0.37 -1.73 0.03 0.00 -1.02 0.00 0.00 32.46 30.12 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nhn n ALA 74 N -2.11 0.06 0.00 7.54 0.00 -0.55 -2.84 120.51 122.61 1nhn n ALA 74 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1nhn n ALA 74 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1nhn n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nhn n LYS 75 N -3.74 0.00 -2.17 0.00 3.00 -1.26 -4.73 118.16 109.26 1nhn n LYS 75 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1nhn n LYS 75 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.11 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nhn n GLY 76 N -0.52 0.76 2.06 3.14 0.00 -1.13 -4.74 105.19 104.75 1nhn n GLY 76 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 1nhn n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nhn n LYS 77 N -0.66 -3.95 -1.55 1.61 4.01 -1.26 -4.69 118.16 111.68 1nhn n LYS 77 Ca 0.00 2.99 -0.27 0.00 -0.51 0.00 0.00 58.31 60.52 1nhn n LYS 77 Cb 0.47 -3.77 -0.06 0.00 -0.51 0.00 0.00 35.03 31.16 1nhn n LYS 77 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1nhn n PRO 78 N 1.39 0.74 -3.27 1.97 -0.04 -1.26 -4.07 135.00 130.46 1nhn n PRO 78 Ca -0.03 -0.33 -0.03 0.00 -0.04 0.00 0.00 63.50 63.08 1nhn n PRO 78 Cb 0.04 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.20 1nhn n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nhn n ASP 79 N 16.17 -0.30 -1.70 3.54 5.68 -1.26 -4.82 116.55 133.86 1nhn n ASP 79 Ca 0.44 -0.08 -0.17 0.00 -0.50 0.00 0.00 54.79 54.48 1nhn n ASP 79 Cb 0.45 -0.11 0.10 0.00 -1.14 0.00 0.00 41.12 40.42 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nhn n ALA 80 N -0.98 4.93 -0.45 2.12 0.00 -1.26 -5.29 120.51 119.58 1nhn n ALA 80 Ca -0.01 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.92 1nhn n ALA 80 Cb 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50