#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 -0.37 -0.64 5.20 0.00 -1.26 -4.70 120.51 118.75 1nhn n ALA 4 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1nhn n ALA 4 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.20 0.00 -3.81 0.00 -0.02 -1.26 -4.98 135.00 125.12 1nhn n PRO 5 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1nhn n PRO 5 Cb 0.00 -0.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.68 1.30 0.00 -0.52 -2.85 -1.26 -5.03 119.74 110.71 1nhn s LYS 6 Ca 0.28 -1.87 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 1nhn s LYS 6 Cb -0.22 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 1nhn s LYS 6 CO 0.38 -1.07 0.00 0.54 0.10 0.00 0.00 175.35 175.30 1nhn n ARG 7 N 3.91 0.00 -0.34 1.78 1.74 -1.26 -4.93 116.66 117.56 1nhn n ARG 7 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 1nhn n ARG 7 Cb 0.37 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.92 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nhn n PRO 8 N 0.17 -2.26 -1.13 5.56 -0.02 -1.26 -4.90 135.00 131.16 1nhn n PRO 8 Ca 0.00 -0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 60.36 1nhn n PRO 8 Cb 0.00 -0.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.72 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 -3.08 0.00 -0.95 0.52 -0.02 -1.26 -4.87 135.00 125.33 1nhn n PRO 9 Ca 0.06 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.55 1nhn n PRO 9 Cb 0.25 -1.03 0.16 0.00 -0.02 0.00 0.00 33.50 32.86 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 1.28 2.13 0.00 2.55 2.88 -1.26 -4.49 113.62 116.72 1nhn n SER 10 Ca 0.15 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.03 1nhn n SER 10 Cb 0.10 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.89 0.00 0.29 -1.46 0.00 -1.26 -4.52 120.51 112.68 1nhn n ALA 11 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1nhn n ALA 11 Cb 0.78 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.71 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 -0.10 0.00 3.57 -1.93 -3.09 116.94 115.39 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 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nhn h PHE 12 CO 0.00 0.00 -0.24 0.35 -2.23 0.00 0.00 178.31 176.19 1nhn h PHE 13 N 0.00 0.43 0.29 0.41 3.04 -1.92 0.11 116.94 119.29 1nhn h PHE 13 Ca 0.00 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1nhn h PHE 13 Cb 0.67 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 1nhn h PHE 13 CO 0.00 0.85 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.65 1nhn h LEU 14 N -0.11 -1.19 -0.72 0.59 -0.00 -1.91 -1.85 115.31 110.11 1nhn h LEU 14 Ca -0.00 0.11 0.16 0.00 -0.00 0.00 0.00 57.88 58.15 1nhn h LEU 14 Cb 0.84 0.42 -0.11 0.00 -0.00 0.00 0.00 40.66 41.81 1nhn h LEU 14 CO 0.05 -0.54 0.11 0.15 -0.00 0.00 0.00 178.44 178.22 1nhn h PHE 15 N -0.77 0.16 0.21 1.13 3.57 -1.56 -2.06 116.94 117.62 1nhn h PHE 15 Ca -0.01 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1nhn h PHE 15 Cb 0.73 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1nhn h PHE 15 CO -0.29 -0.14 -0.53 0.00 -2.23 0.00 0.00 178.31 175.13 1nhn h SER 17 N -0.81 -1.72 -1.28 0.00 0.87 -0.67 0.17 113.55 110.10 1nhn h SER 17 Ca -0.02 0.25 0.38 0.00 -1.23 0.00 0.00 61.79 61.18 1nhn h SER 17 Cb 0.79 0.74 -0.10 0.00 -0.44 0.00 0.00 62.40 63.39 1nhn h SER 17 CO -0.24 -0.24 0.86 -0.33 -0.53 0.00 0.00 176.83 176.35 1nhn h GLU 18 N -0.11 0.14 0.00 2.24 4.39 -1.23 -3.11 114.58 116.90 1nhn h GLU 18 Ca 0.11 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 1nhn h GLU 18 Cb 0.39 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1nhn h GLU 18 CO -0.68 0.09 -1.79 0.66 -1.16 0.00 0.00 179.01 176.13 1nhn n TYR 19 N -4.49 0.00 -0.15 4.33 4.02 -0.59 -4.69 117.16 115.59 1nhn n TYR 19 Ca 0.32 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.17 1nhn n TYR 19 Cb 1.30 -0.55 -0.04 0.00 -0.02 0.00 0.00 39.34 40.03 1nhn n TYR 19 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1nhn n ARG 20 N -2.64 -0.16 0.00 -0.72 1.74 0.51 0.39 116.66 115.78 1nhn n ARG 20 Ca -0.21 0.83 0.09 0.00 -0.77 0.00 0.00 57.85 57.78 1nhn n ARG 20 Cb 0.82 -1.22 0.46 0.00 -1.02 0.00 0.00 32.46 31.50 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nhn n PRO 21 N -3.86 0.22 -0.07 5.56 -0.04 -1.26 -0.49 135.00 135.06 1nhn n PRO 21 Ca 0.01 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1nhn n PRO 21 Cb 0.09 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 1nhn n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1nhn h LYS 22 N 0.00 0.00 -0.13 0.54 1.63 -0.34 -2.18 116.57 116.09 1nhn h LYS 22 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1nhn h LYS 22 Cb 0.20 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1nhn h LYS 22 CO 0.00 0.23 -0.07 -0.84 -3.45 0.00 0.00 179.45 175.33 1nhn h ILE 23 N -1.00 1.32 -0.56 2.00 3.07 -1.24 -2.36 117.51 118.73 1nhn h ILE 23 Ca -0.06 -1.11 0.08 0.00 1.55 0.00 0.00 64.86 65.33 1nhn h ILE 23 Cb 0.54 1.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.84 1nhn h ILE 23 CO -0.03 0.32 0.38 0.50 -1.05 0.00 0.00 178.15 178.26 1nhn h LYS 24 N -0.08 0.42 -0.61 0.16 3.64 -0.97 1.00 116.57 120.14 1nhn h LYS 24 Ca 0.03 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1nhn h LYS 24 Cb 0.53 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1nhn h LYS 24 CO 0.02 0.28 0.41 0.78 -2.27 0.00 0.00 179.45 178.67 1nhn h GLY 25 N 0.44 0.71 0.26 5.01 0.00 -0.86 -0.48 103.07 108.14 1nhn h GLY 25 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1nhn h GLY 25 CO -0.07 0.16 -1.49 1.18 0.00 0.00 0.00 176.54 176.32 1nhn n GLU 26 N -4.48 0.46 -3.00 4.80 -0.58 0.57 -4.52 120.64 113.89 1nhn n GLU 26 Ca 0.09 -0.08 -0.27 0.00 -0.42 0.00 0.00 57.16 56.48 1nhn n GLU 26 Cb 0.28 -1.57 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.12 3.97 -1.17 -0.32 8.25 0.32 -4.75 115.22 119.39 1nhn n HIS 27 Ca -0.01 -3.98 -0.19 0.00 -0.26 0.00 0.00 57.72 53.29 1nhn n HIS 27 Cb 0.50 -0.52 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.08 2.07 0.00 -0.41 -0.04 -0.67 -3.56 135.00 132.32 1nhn n PRO 28 Ca 0.31 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1nhn n PRO 28 Cb 0.39 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 1.26 0.00 0.00 0.55 0.00 -1.26 -5.10 105.19 100.64 1nhn n GLY 29 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.66 0.00 -4.80 0.99 -0.00 -1.23 -5.16 117.00 105.14 1nhn n LEU 30 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1nhn n LEU 30 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.65 1nhn n LEU 30 CO 0.00 -0.12 -0.17 -0.44 -0.00 0.00 0.00 177.39 176.66 1nhn s SER 31 N -0.48 4.27 -0.07 1.45 0.01 -1.26 -4.98 113.70 112.64 1nhn s SER 31 Ca 0.00 -1.53 0.03 0.00 1.31 0.00 0.00 55.95 55.77 1nhn s SER 31 Cb 0.00 0.46 0.20 0.00 0.21 0.00 0.00 66.02 66.89 1nhn s SER 31 CO 0.00 -0.91 0.88 0.00 0.41 0.00 0.00 173.24 173.62 1nhn n ILE 32 N -1.40 0.84 0.00 1.44 3.06 -1.26 -1.05 119.36 120.99 1nhn n ILE 32 Ca -0.14 -0.38 0.00 0.00 -2.50 0.00 0.00 62.75 59.74 1nhn n ILE 32 Cb 0.66 -0.51 0.00 0.00 0.54 0.00 0.00 39.64 40.33 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 0.15 0.00 0.21 4.50 0.00 -1.26 -4.32 105.19 104.47 1nhn n GLY 33 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.33 1.90 0.12 1.61 2.03 -0.82 -2.35 116.55 117.71 1nhn n ASP 34 Ca 0.00 0.13 0.02 0.00 0.52 0.00 0.00 54.79 55.46 1nhn n ASP 34 Cb 0.09 -0.56 0.38 0.00 -0.72 0.00 0.00 41.12 40.31 1nhn n ASP 34 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1nhn h VAL 35 N -0.52 1.19 -0.22 5.18 3.04 -1.39 0.85 116.25 124.37 1nhn h VAL 35 Ca -0.56 -0.82 -0.13 0.00 -1.01 0.00 0.00 66.70 64.18 1nhn h VAL 35 Cb 1.62 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 32.13 1nhn h VAL 35 CO -0.25 0.26 -0.36 0.00 -1.01 0.00 0.00 177.57 176.20 1nhn h ALA 36 N 1.63 0.35 -0.83 3.17 0.00 -1.74 -1.77 119.26 120.07 1nhn h ALA 36 Ca 0.05 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1nhn h ALA 36 Cb 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1nhn h ALA 36 CO 0.02 0.42 0.50 -0.22 0.00 0.00 0.00 179.25 179.97 1nhn h LYS 37 N 0.34 0.86 0.49 0.00 1.63 -0.61 0.27 116.57 119.56 1nhn h LYS 37 Ca 0.02 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1nhn h LYS 37 Cb 0.95 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1nhn h LYS 37 CO 0.08 0.57 -0.35 -0.22 -3.45 0.00 0.00 179.45 176.08 1nhn h LYS 38 N 0.89 -0.78 -0.35 1.90 1.63 -0.64 -2.41 116.57 116.82 1nhn h LYS 38 Ca 0.37 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 60.30 1nhn h LYS 38 Cb 0.23 0.18 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 1nhn h LYS 38 CO -0.19 -0.52 -0.21 -0.07 -3.45 0.00 0.00 179.45 175.00 1nhn h LEU 39 N -0.81 -0.72 -1.06 5.20 3.38 -0.96 0.59 115.31 120.94 1nhn h LEU 39 Ca -0.07 0.15 0.36 0.00 0.09 0.00 0.00 57.88 58.42 1nhn h LEU 39 Cb 0.66 0.37 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 1nhn h LEU 39 CO 0.04 -0.25 0.69 0.61 0.09 0.00 0.00 178.44 179.62 1nhn n GLY 40 N -1.38 -0.63 0.16 0.83 0.00 0.93 -1.23 105.19 103.86 1nhn n GLY 40 Ca 0.01 0.56 -0.18 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.11 0.53 -0.41 1.61 1.02 -0.46 -4.59 120.64 114.23 1nhn n GLU 41 Ca 0.30 0.22 0.36 0.00 -0.02 0.00 0.00 57.16 58.03 1nhn n GLU 41 Cb 1.19 -1.41 0.63 0.00 -0.02 0.00 0.00 31.44 31.83 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1nhn h MET 42 N -0.95 0.04 -0.53 3.49 2.86 0.50 0.67 114.93 121.00 1nhn h MET 42 Ca -0.32 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1nhn h MET 42 Cb 1.25 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 1nhn h MET 42 CO -0.19 0.02 0.35 2.35 1.06 0.00 0.00 176.91 180.50 1nhn h TRP 43 N 0.04 0.52 0.06 -0.22 2.91 -1.57 0.23 115.95 117.92 1nhn h TRP 43 Ca 0.85 0.01 -0.27 0.00 1.13 0.00 0.00 58.89 60.61 1nhn h TRP 43 Cb 2.53 -0.17 0.02 0.00 -0.51 0.00 0.00 29.16 31.04 1nhn h TRP 43 CO -0.01 0.29 -1.10 -0.91 -1.03 0.00 0.00 178.44 175.68 1nhn h ASN 44 N 0.53 0.87 -0.67 2.65 2.35 -1.14 -3.10 115.58 117.08 1nhn h ASN 44 Ca 0.22 -0.78 -0.45 0.00 -0.55 0.00 0.00 56.30 54.74 1nhn h ASN 44 Cb 0.22 -0.27 -0.19 0.00 0.05 0.00 0.00 38.32 38.13 1nhn h ASN 44 CO -0.06 1.55 0.58 0.59 -1.65 0.00 0.00 177.43 178.43 1nhn n ASN 45 N -3.86 6.66 0.00 5.81 3.02 -0.55 -4.87 115.26 121.47 1nhn n ASN 45 Ca -0.12 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 1nhn n ASN 45 Cb 0.91 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.15 0.00 -3.56 3.41 5.66 0.69 -4.87 114.28 115.46 1nhn n THR 46 Ca 0.42 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 61.02 1nhn n THR 46 Cb 0.66 -0.57 -0.11 0.00 -1.55 0.00 0.00 70.33 68.76 1nhn n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nhn s ALA 47 N -2.28 3.44 -1.00 1.79 0.00 -1.26 -4.94 121.76 117.51 1nhn s ALA 47 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1nhn s ALA 47 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1nhn s ALA 47 CO 0.00 -0.97 0.31 0.00 0.00 0.00 0.00 175.76 175.10 1nhn n ALA 48 N 5.07 1.93 -0.17 0.00 0.00 -1.26 -0.27 120.51 125.81 1nhn n ALA 48 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1nhn n ALA 48 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.19 0.25 -0.01 0.00 -0.08 -1.26 -4.60 116.55 111.04 1nhn n ASP 49 Ca 0.00 -0.59 0.07 0.00 -1.51 0.00 0.00 54.79 52.76 1nhn n ASP 49 Cb 0.15 0.35 -0.13 0.00 2.34 0.00 0.00 41.12 43.84 1nhn n ASP 49 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1nhn n ASP 50 N -0.35 1.27 0.06 1.67 2.03 0.63 -4.28 116.55 117.57 1nhn n ASP 50 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1nhn n ASP 50 Cb 0.04 1.68 -0.08 0.00 -0.72 0.00 0.00 41.12 42.04 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nhn h LYS 51 N 0.00 0.58 -0.74 -0.67 1.57 -1.69 -3.35 116.57 112.27 1nhn h LYS 51 Ca -0.03 -0.64 0.09 0.00 -1.87 0.00 0.00 60.65 58.20 1nhn h LYS 51 Cb 0.83 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.22 1nhn h LYS 51 CO 0.00 1.24 -0.38 1.04 -0.57 0.00 0.00 179.45 180.79 1nhn n GLN 52 N -3.80 -0.27 0.29 3.15 3.00 -1.26 -0.16 117.38 118.33 1nhn n GLN 52 Ca -0.09 1.13 -0.16 0.00 -0.01 0.00 0.00 57.00 57.86 1nhn n GLN 52 Cb 0.87 -1.66 -0.09 0.00 0.00 0.00 0.00 30.24 29.36 1nhn n GLN 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1nhn h PRO 53 N 0.00 -0.90 -0.86 -1.09 0.13 -1.84 -1.82 132.00 125.62 1nhn h PRO 53 Ca 0.17 0.06 0.17 0.00 -0.87 0.00 0.00 66.00 65.53 1nhn h PRO 53 Cb 0.36 0.21 -0.16 0.00 0.13 0.00 0.00 31.00 31.53 1nhn h PRO 53 CO -0.71 -0.60 -0.23 1.88 -0.23 0.00 0.00 178.00 178.10 1nhn h TYR 54 N -0.94 -0.52 0.21 1.56 0.05 -1.27 -1.95 116.97 114.12 1nhn h TYR 54 Ca -0.07 0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1nhn h TYR 54 Cb 0.80 0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 1nhn h TYR 54 CO -0.20 -0.37 -0.18 0.93 -1.05 0.00 0.00 178.16 177.29 1nhn h GLU 55 N -0.01 -0.37 -1.53 4.88 4.39 -0.40 0.48 114.58 122.03 1nhn h GLU 55 Ca 0.40 0.03 0.45 0.00 0.34 0.00 0.00 59.36 60.57 1nhn h GLU 55 Cb 0.62 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 1nhn h GLU 55 CO -0.88 -0.25 1.08 0.87 -1.16 0.00 0.00 179.01 178.67 1nhn h LYS 56 N -0.38 0.03 0.02 2.33 1.57 -0.60 0.23 116.57 119.76 1nhn h LYS 56 Ca -0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nhn h LYS 56 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1nhn h LYS 56 CO -0.01 0.02 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.67 1nhn h LYS 57 N 0.03 -0.02 -0.87 3.15 3.64 -0.90 -3.05 116.57 118.54 1nhn h LYS 57 Ca 0.75 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 60.37 1nhn h LYS 57 Cb 2.90 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 34.58 1nhn h LYS 57 CO -0.07 -0.01 0.20 0.00 -2.27 0.00 0.00 179.45 177.30 1nhn h ALA 58 N -1.67 1.23 0.09 5.00 0.00 -0.13 -0.64 119.26 123.13 1nhn h ALA 58 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1nhn h ALA 58 Cb 0.02 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1nhn h ALA 58 CO 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 179.25 178.47 1nhn h ALA 59 N 1.79 -0.51 -0.86 0.00 0.00 -0.72 0.04 119.26 118.99 1nhn h ALA 59 Ca 0.54 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.54 1nhn h ALA 59 Cb 1.09 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 1nhn h ALA 59 CO -0.67 -0.84 0.48 -0.22 0.00 0.00 0.00 179.25 178.00 1nhn h LYS 60 N -0.51 0.73 0.18 0.00 3.64 -1.01 -0.37 116.57 119.23 1nhn h LYS 60 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nhn h LYS 60 Cb 0.56 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1nhn h LYS 60 CO -0.20 0.48 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.30 1nhn h LEU 61 N 0.75 -0.20 -1.58 5.20 3.38 -0.97 -2.47 115.31 119.41 1nhn h LEU 61 Ca 0.44 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1nhn h LEU 61 Cb 0.52 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1nhn h LEU 61 CO -0.30 0.20 -0.20 0.07 0.09 0.00 0.00 178.44 178.30 1nhn h LYS 62 N -0.64 0.02 0.71 1.13 2.10 -0.86 -2.54 116.57 116.48 1nhn h LYS 62 Ca -0.02 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1nhn h LYS 62 Cb 0.47 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1nhn h LYS 62 CO 0.04 0.21 -0.36 1.49 -2.00 0.00 0.00 179.45 178.84 1nhn h GLU 63 N 0.02 -0.94 -0.99 0.07 4.81 -1.05 -1.24 114.58 115.26 1nhn h GLU 63 Ca 0.00 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.47 1nhn h GLU 63 Cb 0.36 0.21 -0.17 0.00 0.63 0.00 0.00 28.75 29.78 1nhn h GLU 63 CO 0.03 -0.62 -0.33 0.87 -0.73 0.00 0.00 179.01 178.22 1nhn h LYS 64 N -0.97 -0.00 0.00 1.92 1.57 -1.05 -1.78 116.57 116.26 1nhn h LYS 64 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1nhn h LYS 64 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1nhn h LYS 64 CO 0.15 -0.00 0.00 0.98 -0.57 0.00 0.00 179.45 180.00 1nhn n TYR 65 N -5.53 0.00 -0.62 -1.35 9.36 -0.99 -1.25 117.16 116.77 1nhn n TYR 65 Ca 0.12 0.00 0.49 0.00 3.32 0.00 0.00 57.90 61.83 1nhn n TYR 65 Cb 0.44 -0.44 0.76 0.00 -0.63 0.00 0.00 39.34 39.47 1nhn n TYR 65 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1nhn h GLU 66 N 0.00 0.00 0.00 2.98 5.08 -0.33 0.20 114.58 122.50 1nhn h GLU 66 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1nhn h GLU 66 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nhn h GLU 66 CO 0.00 0.00 -0.21 0.87 -1.00 0.00 0.00 179.01 178.67 1nhn h LYS 67 N 0.00 0.00 0.00 2.33 6.56 -1.07 -2.90 116.57 121.49 1nhn h LYS 67 Ca 0.86 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.43 1nhn h LYS 67 Cb 3.65 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 35.30 1nhn h LYS 67 CO -0.01 0.84 -0.13 0.22 -2.06 0.00 0.00 179.45 178.30 1nhn h ASP 68 N -1.00 0.00 -0.03 0.86 3.58 0.41 -1.26 116.42 118.98 1nhn h ASP 68 Ca -0.05 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.15 1nhn h ASP 68 Cb 0.90 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.96 1nhn h ASP 68 CO -0.03 0.13 -0.95 -0.29 -2.88 0.00 0.00 179.24 175.22 1nhn h ILE 69 N 0.00 1.28 -0.89 2.25 -0.00 -0.81 -1.72 117.51 117.63 1nhn h ILE 69 Ca -0.00 -2.16 0.04 0.00 -0.00 0.00 0.00 64.86 62.74 1nhn h ILE 69 Cb 0.36 2.24 -0.05 0.00 -0.00 0.00 0.00 36.82 39.37 1nhn h ILE 69 CO 0.02 0.67 0.58 0.00 -0.00 0.00 0.00 178.15 179.42 1nhn h ALA 70 N 0.47 1.47 0.00 0.18 0.00 -1.07 0.20 119.26 120.51 1nhn h ALA 70 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nhn h ALA 70 Cb 1.59 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1nhn h ALA 70 CO 0.19 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1nhn h ALA 71 N 1.49 1.00 0.06 0.00 0.00 -0.83 -2.62 119.26 118.36 1nhn h ALA 71 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.01 1nhn h ALA 71 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nhn h ALA 71 CO -0.12 0.00 -1.40 1.88 0.00 0.00 0.00 179.25 179.61 1nhn h TYR 72 N 0.00 0.23 -0.65 0.00 0.05 0.20 -3.36 116.97 113.44 1nhn h TYR 72 Ca 0.00 -0.17 0.12 0.00 0.05 0.00 0.00 58.73 58.73 1nhn h TYR 72 Cb 0.39 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.03 1nhn h TYR 72 CO 0.00 1.55 0.17 0.00 -1.05 0.00 0.00 178.16 178.83 1nhn h ARG 73 N -0.57 0.29 -0.70 4.88 2.47 -0.88 -1.37 114.38 118.51 1nhn h ARG 73 Ca -0.34 -0.02 0.27 0.00 -1.26 0.00 0.00 59.98 58.63 1nhn h ARG 73 Cb 1.58 -0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 29.74 1nhn h ARG 73 CO -0.06 0.19 0.42 0.00 0.56 0.00 0.00 179.97 181.08 1nhn n ALA 74 N -2.58 0.71 0.00 0.04 0.00 -1.00 -4.52 120.51 113.15 1nhn n ALA 74 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1nhn n ALA 74 Cb 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -4.13 0.00 0.00 0.00 3.00 -0.52 -3.95 118.16 112.56 1nhn n LYS 75 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1nhn n LYS 75 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.88 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 0.00 0.18 6.44 3.14 0.00 -1.26 -5.12 105.19 108.57 1nhn n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.04 -2.30 1.61 5.02 -1.25 -3.64 118.16 117.55 1nhn n LYS 77 Ca 0.00 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 1nhn n LYS 77 Cb 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 35.03 34.92 1nhn n LYS 77 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1nhn s PRO 78 N -0.10 3.01 -0.03 1.97 0.02 -1.26 -4.50 135.00 134.11 1nhn s PRO 78 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 61.00 60.64 1nhn s PRO 78 Cb 0.00 -4.86 0.00 0.00 0.02 0.00 0.00 34.50 29.66 1nhn s PRO 78 CO 0.00 -2.66 0.02 -0.25 -0.33 0.00 0.00 177.00 173.78 1nhn n ASP 79 N 11.30 -0.11 -2.42 2.53 9.92 -1.24 -2.28 116.55 134.26 1nhn n ASP 79 Ca 0.27 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1nhn n ASP 79 Cb 0.50 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nhn n ALA 80 N -1.05 -0.89 -0.50 2.24 0.00 -1.25 -5.23 120.51 113.83 1nhn n ALA 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nhn n ALA 80 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50