#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 -0.30 -0.89 5.20 0.00 -1.26 -4.79 120.51 118.46 1nhn n ALA 4 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1nhn n ALA 4 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.08 0.00 -3.66 0.00 -0.02 -1.26 -4.99 135.00 125.14 1nhn n PRO 5 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1nhn n PRO 5 Cb 0.00 -0.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.05 0.85 0.00 -0.52 0.00 -1.26 -5.06 119.74 112.69 1nhn s LYS 6 Ca 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 55.97 54.94 1nhn s LYS 6 Cb -0.30 -1.92 0.00 0.00 0.00 0.00 0.00 37.83 35.61 1nhn s LYS 6 CO 0.56 -1.10 0.00 2.89 0.00 0.00 0.00 175.35 177.70 1nhn n ARG 7 N 4.25 0.00 -0.49 1.78 1.85 -1.26 -4.95 116.66 117.83 1nhn n ARG 7 Ca 0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.59 1nhn n ARG 7 Cb 0.38 0.00 0.28 0.00 -1.05 0.00 0.00 32.46 32.08 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1nhn s PRO 8 N 0.00 -2.82 0.80 2.89 0.02 -1.26 -5.00 135.00 129.62 1nhn s PRO 8 Ca 0.00 0.03 -0.15 0.00 0.02 0.00 0.00 61.00 60.90 1nhn s PRO 8 Cb 0.00 -1.40 -0.13 0.00 0.02 0.00 0.00 34.50 32.99 1nhn s PRO 8 CO 0.00 -4.78 -0.74 -2.30 -0.33 0.00 0.00 177.00 168.84 1nhn n PRO 9 N -5.55 0.00 -0.25 5.54 -0.02 -1.26 -4.84 135.00 128.62 1nhn n PRO 9 Ca 0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 1nhn n PRO 9 Cb 0.60 -0.80 0.06 0.00 -0.02 0.00 0.00 33.50 33.34 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nhn n SER 10 N 2.80 1.11 0.00 2.55 3.41 -1.26 -4.64 113.62 117.59 1nhn n SER 10 Ca -0.02 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 1nhn n SER 10 Cb 0.47 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nhn n ALA 11 N -0.63 0.00 0.11 7.33 0.00 -1.26 -4.48 120.51 121.58 1nhn n ALA 11 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1nhn n ALA 11 Cb 0.63 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.12 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 -3.20 116.94 114.84 1nhn h PHE 12 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 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 0.72 0.22 0.35 -2.23 0.00 0.00 178.31 177.37 1nhn h PHE 13 N 0.00 0.79 0.58 0.41 3.04 -1.93 0.18 116.94 120.00 1nhn h PHE 13 Ca -0.01 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.87 1nhn h PHE 13 Cb 1.42 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1nhn h PHE 13 CO 0.00 0.64 -0.43 -0.07 -2.02 0.00 0.00 178.31 176.43 1nhn h LEU 14 N 0.71 -1.13 -0.76 0.59 -0.00 -1.93 -2.45 115.31 110.34 1nhn h LEU 14 Ca 0.18 0.08 0.17 0.00 -0.00 0.00 0.00 57.88 58.31 1nhn h LEU 14 Cb 0.18 0.35 -0.12 0.00 -0.00 0.00 0.00 40.66 41.07 1nhn h LEU 14 CO -0.02 -0.63 0.14 0.15 -0.00 0.00 0.00 178.44 178.08 1nhn h PHE 15 N -0.98 0.20 -0.19 1.13 3.57 -1.52 -1.44 116.94 117.71 1nhn h PHE 15 Ca -0.07 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1nhn h PHE 15 Cb 0.82 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1nhn h PHE 15 CO -0.16 -0.15 -0.23 0.00 -2.23 0.00 0.00 178.31 175.54 1nhn h SER 17 N -0.26 -1.23 -0.90 0.00 0.02 -0.83 -0.43 113.55 109.93 1nhn h SER 17 Ca 0.12 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.34 1nhn h SER 17 Cb 0.44 0.41 -0.10 0.00 0.14 0.00 0.00 62.40 63.29 1nhn h SER 17 CO -0.34 -0.61 0.47 -0.33 -1.14 0.00 0.00 176.83 174.88 1nhn h GLU 18 N -0.91 0.60 0.00 3.45 5.08 -1.15 -3.14 114.58 118.51 1nhn h GLU 18 Ca -0.05 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 57.99 1nhn h GLU 18 Cb 0.80 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1nhn h GLU 18 CO -0.07 0.40 -1.80 0.66 -1.00 0.00 0.00 179.01 177.20 1nhn n TYR 19 N -4.88 0.80 -0.29 4.33 4.02 -0.52 -4.53 117.16 116.09 1nhn n TYR 19 Ca 0.19 0.29 -0.06 0.00 -0.01 0.00 0.00 57.90 58.31 1nhn n TYR 19 Cb 0.51 -1.13 -0.04 0.00 -0.02 0.00 0.00 39.34 38.65 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 -2.96 -0.27 0.00 -0.72 0.63 -0.18 -0.18 116.66 112.98 1nhn n ARG 20 Ca -0.19 1.08 0.09 0.00 -0.92 0.00 0.00 57.85 57.91 1nhn n ARG 20 Cb 1.04 -1.59 0.54 0.00 0.45 0.00 0.00 32.46 32.90 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 -4.93 0.53 -0.12 -0.14 -0.04 -1.26 -0.20 135.00 128.84 1nhn n PRO 21 Ca 0.03 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 1nhn n PRO 21 Cb 0.21 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 1nhn n PRO 21 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1nhn n LYS 22 N -1.06 0.57 0.00 0.54 4.81 0.74 -1.77 118.16 122.00 1nhn n LYS 22 Ca 0.13 0.41 -0.13 0.00 -0.87 0.00 0.00 58.31 57.85 1nhn n LYS 22 Cb 0.08 -1.61 -0.10 0.00 0.02 0.00 0.00 35.03 33.43 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1nhn h ILE 23 N -1.00 1.31 -0.83 3.15 3.07 -1.42 -2.11 117.51 119.68 1nhn h ILE 23 Ca -0.50 -1.03 0.09 0.00 1.55 0.00 0.00 64.86 64.97 1nhn h ILE 23 Cb 1.41 2.00 -0.06 0.00 -0.27 0.00 0.00 36.82 39.91 1nhn h ILE 23 CO -0.30 0.26 0.54 0.50 -1.05 0.00 0.00 178.15 178.10 1nhn h LYS 24 N -0.47 0.80 -0.94 0.16 3.64 -0.77 0.71 116.57 119.71 1nhn h LYS 24 Ca -0.00 -0.05 0.25 0.00 -1.27 0.00 0.00 60.65 59.58 1nhn h LYS 24 Cb 0.45 -0.18 -0.17 0.00 -0.41 0.00 0.00 32.23 31.92 1nhn h LYS 24 CO 0.00 0.53 0.05 0.78 -2.27 0.00 0.00 179.45 178.55 1nhn h GLY 25 N 0.83 1.20 0.08 5.01 0.00 -0.65 0.29 103.07 109.82 1nhn h GLY 25 Ca 0.38 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1nhn h GLY 25 CO -0.15 -0.46 -1.70 -1.84 0.00 0.00 0.00 176.54 172.39 1nhn n GLU 26 N -5.43 0.51 -2.62 4.80 0.28 -0.44 -4.50 120.64 113.22 1nhn n GLU 26 Ca 0.21 -0.13 -0.34 0.00 -0.16 0.00 0.00 57.16 56.74 1nhn n GLU 26 Cb 0.70 -1.53 -0.00 0.00 1.43 0.00 0.00 31.44 32.04 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1nhn n HIS 27 N -2.11 3.36 0.36 -1.84 8.25 0.24 -4.83 115.22 118.64 1nhn n HIS 27 Ca -0.02 -3.13 -0.01 0.00 -0.26 0.00 0.00 57.72 54.31 1nhn n HIS 27 Cb 0.51 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.26 1.04 0.00 -0.41 -0.04 0.03 -2.29 135.00 133.07 1nhn n PRO 28 Ca 0.41 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1nhn n PRO 28 Cb 0.36 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.85 0.33 3.98 0.55 0.00 -1.26 -5.09 105.19 104.55 1nhn n GLY 29 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1nhn n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nhn s LEU 30 N -1.27 2.89 0.51 0.99 1.43 -0.97 -5.12 118.68 117.14 1nhn s LEU 30 Ca 0.00 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1nhn s LEU 30 Cb 0.00 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1nhn s LEU 30 CO 0.00 -2.18 0.00 -0.44 0.23 0.00 0.00 176.35 173.96 1nhn s SER 31 N -4.81 4.12 -0.14 2.29 0.01 -1.26 -4.95 113.70 108.96 1nhn s SER 31 Ca 0.69 -1.64 0.05 0.00 1.31 0.00 0.00 55.95 56.37 1nhn s SER 31 Cb -0.04 0.48 0.37 0.00 0.21 0.00 0.00 66.02 67.03 1nhn s SER 31 CO 0.47 -0.83 1.19 0.00 0.41 0.00 0.00 173.24 174.48 1nhn n ILE 32 N -1.25 1.52 -0.00 1.44 3.06 -1.26 -1.28 119.36 121.59 1nhn n ILE 32 Ca -0.18 -0.73 -0.00 0.00 -2.50 0.00 0.00 62.75 59.33 1nhn n ILE 32 Cb 0.67 -0.50 -0.00 0.00 0.54 0.00 0.00 39.64 40.35 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 0.13 -0.03 0.19 4.50 0.00 -1.26 -4.37 105.19 104.36 1nhn n GLY 33 Ca 0.18 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.06 1.84 0.18 1.61 -0.08 -1.03 -2.69 116.55 114.32 1nhn n ASP 34 Ca -0.01 0.32 0.08 0.00 -1.51 0.00 0.00 54.79 53.67 1nhn n ASP 34 Cb 0.52 -0.77 0.59 0.00 2.34 0.00 0.00 41.12 43.81 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 -0.94 1.00 -0.13 5.18 3.04 -1.50 0.23 116.25 123.13 1nhn h VAL 35 Ca -0.65 -0.04 -0.05 0.00 -1.01 0.00 0.00 66.70 64.94 1nhn h VAL 35 Cb 1.57 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1nhn h VAL 35 CO -0.39 0.02 -0.11 0.00 -1.01 0.00 0.00 177.57 176.08 1nhn h ALA 36 N 1.92 0.19 -0.95 3.17 0.00 -1.73 -1.32 119.26 120.54 1nhn h ALA 36 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1nhn h ALA 36 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1nhn h ALA 36 CO -0.01 0.04 0.62 0.87 0.00 0.00 0.00 179.25 180.77 1nhn h LYS 37 N -0.06 1.20 0.56 0.00 1.57 -0.44 0.24 116.57 119.64 1nhn h LYS 37 Ca 0.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1nhn h LYS 37 Cb 0.62 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1nhn h LYS 37 CO 0.03 0.79 -0.47 -0.22 -0.57 0.00 0.00 179.45 179.02 1nhn h LYS 38 N 1.23 -0.96 -0.44 3.15 1.63 -0.72 -2.09 116.57 118.38 1nhn h LYS 38 Ca 0.36 0.07 0.09 0.00 -0.85 0.00 0.00 60.65 60.32 1nhn h LYS 38 Cb -0.06 0.22 -0.09 0.00 -0.60 0.00 0.00 32.23 31.70 1nhn h LYS 38 CO -0.10 -0.64 -0.17 -0.07 -3.45 0.00 0.00 179.45 175.02 1nhn h LEU 39 N -1.00 -0.59 -1.00 5.20 3.38 -0.86 0.49 115.31 120.92 1nhn h LEU 39 Ca -0.07 0.15 0.36 0.00 0.09 0.00 0.00 57.88 58.41 1nhn h LEU 39 Cb 0.84 0.34 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 1nhn h LEU 39 CO -0.01 -0.20 0.63 0.61 0.09 0.00 0.00 178.44 179.56 1nhn n GLY 40 N -1.37 -0.63 0.12 0.83 0.00 0.81 -1.08 105.19 103.88 1nhn n GLY 40 Ca 0.03 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.28 0.57 -0.38 1.61 1.02 -0.33 -4.51 120.64 114.34 1nhn n GLU 41 Ca 0.30 0.29 0.30 0.00 -0.02 0.00 0.00 57.16 58.02 1nhn n GLU 41 Cb 1.16 -1.51 0.58 0.00 -0.02 0.00 0.00 31.44 31.66 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 -1.00 0.23 -0.94 3.49 2.86 0.66 -0.33 114.93 119.90 1nhn h MET 42 Ca -0.51 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1nhn h MET 42 Cb 1.43 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.99 1nhn h MET 42 CO -0.31 0.15 0.59 2.35 1.06 0.00 0.00 176.91 180.75 1nhn h TRP 43 N 0.24 1.22 0.13 -0.22 2.91 -1.34 0.49 115.95 119.38 1nhn h TRP 43 Ca 0.69 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.71 1nhn h TRP 43 Cb 2.01 -0.40 0.00 0.00 -0.51 0.00 0.00 29.16 30.26 1nhn h TRP 43 CO -0.00 0.79 -0.06 -0.91 -1.03 0.00 0.00 178.44 177.23 1nhn h ASN 44 N 1.29 -0.15 -1.36 2.65 2.35 -1.29 -2.90 115.58 116.17 1nhn h ASN 44 Ca 0.34 -0.16 -0.66 0.00 -0.55 0.00 0.00 56.30 55.27 1nhn h ASN 44 Cb -0.09 0.04 -0.25 0.00 0.05 0.00 0.00 38.32 38.07 1nhn h ASN 44 CO -0.07 0.08 0.84 -3.20 -1.65 0.00 0.00 177.43 173.43 1nhn n ASN 45 N -5.08 7.35 -0.58 5.81 5.15 -1.08 -4.91 115.26 121.92 1nhn n ASN 45 Ca -0.09 -3.66 0.00 0.00 -0.60 0.00 0.00 54.58 50.24 1nhn n ASN 45 Cb 0.17 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1nhn n ASN 45 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1nhn n THR 46 N -0.39 0.00 -3.20 -0.44 5.66 0.17 -4.82 114.28 111.26 1nhn n THR 46 Ca 0.54 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 61.09 1nhn n THR 46 Cb 0.46 -0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 -2.88 3.47 0.66 1.79 0.00 -1.26 -4.91 121.76 118.63 1nhn s ALA 47 Ca 0.00 -2.16 0.15 0.00 0.00 0.00 0.00 51.96 49.95 1nhn s ALA 47 Cb 0.00 -3.37 0.75 0.00 0.00 0.00 0.00 23.12 20.50 1nhn s ALA 47 CO 0.00 -2.12 1.41 0.00 0.00 0.00 0.00 175.76 175.05 1nhn h ALA 48 N 9.02 1.82 -0.01 0.00 0.00 -1.92 0.45 119.26 128.63 1nhn h ALA 48 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nhn h ALA 48 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nhn h ALA 48 CO 1.03 -0.79 -0.40 -3.47 0.00 0.00 0.00 179.25 175.62 1nhn n ASP 49 N -2.76 1.47 0.03 0.00 2.03 -1.26 -3.59 116.55 112.48 1nhn n ASP 49 Ca 0.01 -1.16 0.11 0.00 0.52 0.00 0.00 54.79 54.27 1nhn n ASP 49 Cb 0.79 0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 41.43 1nhn n ASP 49 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nhn n ASP 50 N -0.43 0.37 -0.00 1.67 -0.08 0.16 -3.98 116.55 114.26 1nhn n ASP 50 Ca 0.10 0.09 -0.13 0.00 -1.51 0.00 0.00 54.79 53.34 1nhn n ASP 50 Cb 0.40 1.33 -0.09 0.00 2.34 0.00 0.00 41.12 45.10 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1nhn h LYS 51 N 0.00 0.03 -0.74 -0.67 1.79 -1.56 -3.25 116.57 112.18 1nhn h LYS 51 Ca 0.00 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.52 1nhn h LYS 51 Cb 0.97 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.53 1nhn h LYS 51 CO 0.00 0.36 -0.44 1.04 -1.08 0.00 0.00 179.45 179.33 1nhn n GLN 52 N -4.90 -0.32 0.26 3.15 3.00 -1.26 -0.23 117.38 117.08 1nhn n GLN 52 Ca -0.08 1.12 -0.16 0.00 -0.01 0.00 0.00 57.00 57.87 1nhn n GLN 52 Cb 0.19 -1.64 -0.08 0.00 0.00 0.00 0.00 30.24 28.71 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 -0.73 -0.61 -1.09 0.13 -1.79 -1.38 132.00 126.53 1nhn h PRO 53 Ca 0.12 0.05 0.12 0.00 -0.87 0.00 0.00 66.00 65.42 1nhn h PRO 53 Cb 0.30 0.17 -0.11 0.00 0.13 0.00 0.00 31.00 31.49 1nhn h PRO 53 CO -0.69 -0.49 -0.11 1.88 -0.23 0.00 0.00 178.00 178.36 1nhn h TYR 54 N -0.76 -0.24 0.31 1.56 0.05 -1.27 -2.30 116.97 114.32 1nhn h TYR 54 Ca -0.04 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1nhn h TYR 54 Cb 0.65 0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 1nhn h TYR 54 CO -0.14 -0.24 -0.26 0.93 -1.05 0.00 0.00 178.16 177.41 1nhn h GLU 55 N 0.03 -0.53 -1.19 4.88 4.39 -0.43 -0.48 114.58 121.25 1nhn h GLU 55 Ca 0.30 0.04 0.35 0.00 0.34 0.00 0.00 59.36 60.38 1nhn h GLU 55 Cb 0.47 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1nhn h GLU 55 CO -0.60 -0.36 0.95 0.87 -1.16 0.00 0.00 179.01 178.72 1nhn h LYS 56 N -0.55 0.00 0.00 2.33 1.57 -0.86 0.20 116.57 119.25 1nhn h LYS 56 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1nhn h LYS 56 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1nhn h LYS 56 CO -0.00 0.00 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.61 1nhn h LYS 57 N 0.00 0.00 -0.84 3.15 3.64 -0.88 -3.01 116.57 118.63 1nhn h LYS 57 Ca 0.57 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 60.14 1nhn h LYS 57 Cb 2.46 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 34.17 1nhn h LYS 57 CO -0.01 0.00 0.35 0.00 -2.27 0.00 0.00 179.45 177.52 1nhn h ALA 58 N -1.55 1.28 0.13 5.00 0.00 -0.64 -1.71 119.26 121.77 1nhn h ALA 58 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1nhn h ALA 58 Cb 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1nhn h ALA 58 CO 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 179.25 178.71 1nhn h ALA 59 N 1.65 -0.44 -0.30 0.00 0.00 -0.78 -0.45 119.26 118.95 1nhn h ALA 59 Ca 0.50 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1nhn h ALA 59 Cb 0.88 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1nhn h ALA 59 CO -0.49 -0.79 -0.08 -0.22 0.00 0.00 0.00 179.25 177.67 1nhn h LYS 60 N -0.46 -0.01 -0.17 0.00 3.11 -1.18 0.60 116.57 118.45 1nhn h LYS 60 Ca 0.03 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1nhn h LYS 60 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1nhn h LYS 60 CO -0.14 -0.01 0.07 -0.07 -2.81 0.00 0.00 179.45 176.50 1nhn h LEU 61 N -0.01 0.23 -0.80 5.20 3.38 -1.22 -2.36 115.31 119.73 1nhn h LEU 61 Ca 0.14 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1nhn h LEU 61 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1nhn h LEU 61 CO -0.31 0.32 -0.38 0.07 0.09 0.00 0.00 178.44 178.23 1nhn h LYS 62 N 0.12 0.45 0.66 1.13 2.10 -0.89 -2.74 116.57 117.41 1nhn h LYS 62 Ca 0.06 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.47 1nhn h LYS 62 Cb 0.16 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1nhn h LYS 62 CO -0.01 0.76 -0.46 1.49 -2.00 0.00 0.00 179.45 179.24 1nhn h GLU 63 N 0.38 -1.04 -0.55 0.07 4.22 -0.80 -1.21 114.58 115.65 1nhn h GLU 63 Ca 0.04 0.07 0.10 0.00 0.08 0.00 0.00 59.36 59.65 1nhn h GLU 63 Cb 0.84 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 30.21 1nhn h GLU 63 CO 0.07 -0.69 -0.33 -0.22 -2.18 0.00 0.00 179.01 175.66 1nhn h LYS 64 N -1.07 -0.17 0.00 1.92 3.64 -1.33 -2.76 116.57 116.79 1nhn h LYS 64 Ca -0.08 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1nhn h LYS 64 Cb 0.88 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1nhn h LYS 64 CO 0.05 -0.12 0.00 0.98 -2.27 0.00 0.00 179.45 178.10 1nhn n TYR 65 N -5.43 0.00 -0.59 1.91 4.19 -0.96 -1.25 117.16 115.03 1nhn n TYR 65 Ca 0.03 0.00 0.47 0.00 3.31 0.00 0.00 57.90 61.71 1nhn n TYR 65 Cb 0.35 -0.49 0.77 0.00 0.49 0.00 0.00 39.34 40.46 1nhn n TYR 65 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1nhn h GLU 66 N 0.00 0.02 0.00 2.98 5.08 -0.94 0.22 114.58 121.93 1nhn h GLU 66 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1nhn h GLU 66 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nhn h GLU 66 CO 0.00 0.01 -0.19 0.87 -1.00 0.00 0.00 179.01 178.70 1nhn h LYS 67 N 0.02 0.00 0.00 2.33 6.56 -1.12 -2.55 116.57 121.81 1nhn h LYS 67 Ca 0.88 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.45 1nhn h LYS 67 Cb 3.29 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.95 1nhn h LYS 67 CO -0.15 0.84 -0.10 0.22 -2.06 0.00 0.00 179.45 178.20 1nhn h ASP 68 N -1.00 0.00 0.01 0.86 3.58 0.29 0.68 116.42 120.84 1nhn h ASP 68 Ca -0.05 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1nhn h ASP 68 Cb 0.90 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.95 1nhn h ASP 68 CO -0.03 0.10 -0.29 -0.29 -2.88 0.00 0.00 179.24 175.85 1nhn h ILE 69 N 0.00 1.55 -0.61 2.25 -0.00 -0.74 -1.67 117.51 118.30 1nhn h ILE 69 Ca -0.00 -2.01 0.08 0.00 -0.00 0.00 0.00 64.86 62.93 1nhn h ILE 69 Cb 0.25 2.81 -0.04 0.00 -0.00 0.00 0.00 36.82 39.85 1nhn h ILE 69 CO 0.01 0.55 0.40 0.00 -0.00 0.00 0.00 178.15 179.12 1nhn h ALA 70 N 0.24 1.89 0.00 0.18 0.00 -0.95 0.34 119.26 120.95 1nhn h ALA 70 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nhn h ALA 70 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nhn h ALA 70 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1nhn h ALA 71 N 1.68 1.00 -0.01 0.00 0.00 -0.75 -1.34 119.26 119.84 1nhn h ALA 71 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nhn h ALA 71 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nhn h ALA 71 CO -0.08 0.00 -0.70 0.98 0.00 0.00 0.00 179.25 179.45 1nhn n TYR 72 N -2.46 0.00 -0.13 0.00 9.36 -0.01 -4.35 117.16 119.58 1nhn n TYR 72 Ca 0.05 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.01 1nhn n TYR 72 Cb 0.43 -0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.05 1nhn n TYR 72 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1nhn n ARG 73 N -0.66 0.56 -0.36 2.98 0.00 -0.48 -4.45 116.66 114.24 1nhn n ARG 73 Ca 0.07 0.24 0.32 0.00 -0.00 0.00 0.00 57.85 58.48 1nhn n ARG 73 Cb 0.41 -1.45 0.54 0.00 0.00 0.00 0.00 32.46 31.96 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nhn n ALA 74 N -4.25 1.06 -4.41 5.13 0.00 -0.51 -4.52 120.51 113.01 1nhn n ALA 74 Ca -0.47 0.73 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 1nhn n ALA 74 Cb 0.81 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 1nhn n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nhn n LYS 75 N -4.43 1.02 0.00 0.00 5.02 -1.26 -4.87 118.16 113.64 1nhn n LYS 75 Ca 0.33 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 1nhn n LYS 75 Cb 1.24 0.86 0.00 0.00 -0.02 0.00 0.00 35.03 37.11 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nhn n GLY 76 N 0.66 3.49 0.36 0.72 0.00 -1.26 -4.88 105.19 104.27 1nhn n GLY 76 Ca -0.11 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 0.43 0.04 1.61 5.02 -1.26 -4.68 118.16 119.32 1nhn n LYS 77 Ca 0.00 0.19 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1nhn n LYS 77 Cb 0.00 -1.23 0.27 0.00 -0.02 0.00 0.00 35.03 34.05 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1nhn h PRO 78 N -0.74 0.41 -4.90 1.97 0.13 -1.90 -3.45 132.00 123.52 1nhn h PRO 78 Ca -0.46 -0.13 -0.26 0.00 -0.87 0.00 0.00 66.00 64.28 1nhn h PRO 78 Cb 1.37 -0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 1nhn h PRO 78 CO -0.28 0.59 -0.38 -3.47 -0.23 0.00 0.00 178.00 174.22 1nhn n ASP 79 N -4.18 -0.62 -2.78 1.44 2.03 -1.26 -4.67 116.55 106.51 1nhn n ASP 79 Ca -0.00 -0.53 -0.02 0.00 0.52 0.00 0.00 54.79 54.77 1nhn n ASP 79 Cb 0.35 -0.67 0.07 0.00 -0.72 0.00 0.00 41.12 40.15 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nhn n ALA 80 N -2.06 2.69 -0.94 -1.67 0.00 -1.26 -5.09 120.51 112.18 1nhn n ALA 80 Ca 0.03 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1nhn n ALA 80 Cb 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50