#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 -1.12 -1.75 5.20 0.00 -1.26 -4.88 120.51 116.70 1nhn n ALA 4 Ca 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 1nhn n ALA 4 Cb 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 18.94 1nhn n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nhn s PRO 5 N -4.88 3.09 -0.31 0.00 0.04 -1.26 -4.81 135.00 126.87 1nhn s PRO 5 Ca 0.00 2.18 0.17 0.00 0.04 0.00 0.00 61.00 63.39 1nhn s PRO 5 Cb 0.00 -2.20 0.46 0.00 0.04 0.00 0.00 34.50 32.79 1nhn s PRO 5 CO 0.00 -1.21 1.22 0.36 0.04 0.00 0.00 177.00 177.41 1nhn n LYS 6 N -1.13 1.43 0.00 4.56 2.85 -1.26 -5.08 118.16 119.52 1nhn n LYS 6 Ca 0.11 -2.61 0.00 0.00 -1.05 0.00 0.00 58.31 54.76 1nhn n LYS 6 Cb 0.46 -0.77 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 1nhn n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1nhn n ARG 7 N -0.72 0.00 -0.60 -1.58 3.00 -1.26 -4.76 116.66 110.74 1nhn n ARG 7 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1nhn n ARG 7 Cb 0.83 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.50 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 0.00 -1.30 -1.62 5.56 -0.02 -1.26 -4.86 135.00 131.50 1nhn n PRO 8 Ca 0.00 -0.33 -0.52 0.00 -2.02 0.00 0.00 63.50 60.63 1nhn n PRO 8 Cb 0.00 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 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 -4.41 1.52 -3.73 0.52 -0.02 -1.26 -4.96 135.00 122.65 1nhn n PRO 9 Ca 0.08 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1nhn n PRO 9 Cb 0.53 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1nhn s SER 10 N 4.99 -0.36 0.00 2.55 0.01 -1.26 -4.65 113.70 114.98 1nhn s SER 10 Ca 1.00 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1nhn s SER 10 Cb -0.85 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1nhn s SER 10 CO 0.55 -0.25 0.00 0.00 0.41 0.00 0.00 173.24 173.95 1nhn n ALA 11 N 2.31 0.00 0.08 1.44 0.00 -1.26 -3.83 120.51 119.25 1nhn n ALA 11 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 1nhn n ALA 11 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 0.28 0.27 0.00 3.57 -1.95 -3.29 116.94 115.83 1nhn h PHE 12 Ca 0.00 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1nhn h PHE 12 Cb 0.00 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1nhn h PHE 12 CO 0.00 1.11 -0.42 0.35 -2.23 0.00 0.00 178.31 177.12 1nhn h PHE 13 N 0.06 -1.18 -0.95 0.41 3.57 -1.83 0.22 116.94 117.25 1nhn h PHE 13 Ca -0.07 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.56 1nhn h PHE 13 Cb 1.78 0.48 -0.13 0.00 2.79 0.00 0.00 35.95 40.87 1nhn h PHE 13 CO 0.03 -0.52 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.02 1nhn h LEU 14 N -0.72 -1.87 -0.83 0.59 -0.00 -1.85 0.32 115.31 110.95 1nhn h LEU 14 Ca -0.03 0.32 0.08 0.00 -0.00 0.00 0.00 57.88 58.25 1nhn h LEU 14 Cb 0.66 0.87 -0.07 0.00 -0.00 0.00 0.00 40.66 42.12 1nhn h LEU 14 CO -0.13 -0.26 0.49 0.15 -0.00 0.00 0.00 178.44 178.69 1nhn h PHE 15 N -0.03 0.89 -0.12 1.13 3.57 -1.58 -2.32 116.94 118.48 1nhn h PHE 15 Ca 0.22 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1nhn h PHE 15 Cb 0.49 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1nhn h PHE 15 CO -0.95 0.40 0.02 0.00 -2.23 0.00 0.00 178.31 175.55 1nhn h SER 17 N 0.07 -1.35 -0.83 0.00 0.02 -0.58 0.26 113.55 111.14 1nhn h SER 17 Ca 0.06 0.14 0.20 0.00 -0.84 0.00 0.00 61.79 61.35 1nhn h SER 17 Cb 0.05 0.50 -0.14 0.00 0.14 0.00 0.00 62.40 62.95 1nhn h SER 17 CO -0.08 -0.53 0.09 -0.33 -1.14 0.00 0.00 176.83 174.84 1nhn h GLU 18 N -0.72 0.13 0.00 3.45 4.39 -1.25 -3.06 114.58 117.52 1nhn h GLU 18 Ca 0.00 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 1nhn h GLU 18 Cb 0.73 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1nhn h GLU 18 CO -0.23 0.08 -1.86 0.66 -1.16 0.00 0.00 179.01 176.50 1nhn n TYR 19 N -5.32 0.42 -0.26 4.33 4.02 -0.95 -4.56 117.16 114.84 1nhn n TYR 19 Ca 0.17 0.14 -0.08 0.00 -0.01 0.00 0.00 57.90 58.13 1nhn n TYR 19 Cb 0.58 -0.90 -0.07 0.00 -0.02 0.00 0.00 39.34 38.93 1nhn n TYR 19 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1nhn h ARG 20 N 0.00 -0.03 0.00 -0.72 2.43 -0.37 0.38 114.38 116.07 1nhn h ARG 20 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1nhn h ARG 20 Cb 1.63 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1nhn h ARG 20 CO 0.03 -0.02 0.00 -0.35 -1.51 0.00 0.00 179.97 178.12 1nhn n PRO 21 N -4.50 0.15 -0.06 0.20 -0.04 -1.26 -0.69 135.00 128.80 1nhn n PRO 21 Ca 0.01 0.63 -0.05 0.00 -0.04 0.00 0.00 63.50 64.06 1nhn n PRO 21 Cb 0.18 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.00 -0.40 0.54 1.79 -0.52 -2.33 116.57 115.65 1nhn h LYS 22 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1nhn h LYS 22 Cb 0.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1nhn h LYS 22 CO 0.00 0.31 0.15 -0.84 -1.08 0.00 0.00 179.45 177.99 1nhn h ILE 23 N -1.00 1.20 -0.89 1.86 3.07 -1.12 -0.99 117.51 119.64 1nhn h ILE 23 Ca -0.01 -0.62 0.20 0.00 1.55 0.00 0.00 64.86 65.98 1nhn h ILE 23 Cb 0.35 0.87 -0.06 0.00 -0.27 0.00 0.00 36.82 37.70 1nhn h ILE 23 CO -0.01 0.22 0.59 0.50 -1.05 0.00 0.00 178.15 178.41 1nhn h LYS 24 N 0.49 0.37 -0.76 0.16 1.63 -1.04 1.17 116.57 118.59 1nhn h LYS 24 Ca 0.13 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.98 1nhn h LYS 24 Cb 0.20 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.69 1nhn h LYS 24 CO -0.01 0.25 0.44 0.78 -3.45 0.00 0.00 179.45 177.46 1nhn h GLY 25 N 0.38 1.15 1.08 5.01 0.00 -0.59 0.74 103.07 110.85 1nhn h GLY 25 Ca 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1nhn h GLY 25 CO -0.17 0.17 -0.95 0.83 0.00 0.00 0.00 176.54 176.42 1nhn h GLU 26 N 0.78 0.00 -2.29 4.80 4.39 -0.35 -3.39 114.58 118.53 1nhn h GLU 26 Ca 0.35 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.46 1nhn h GLU 26 Cb 0.24 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.48 1nhn h GLU 26 CO -0.20 0.02 -0.63 0.72 -1.16 0.00 0.00 179.01 177.76 1nhn n HIS 27 N -2.73 4.05 0.93 4.33 8.25 0.37 -4.88 115.22 125.53 1nhn n HIS 27 Ca -0.00 -4.00 0.00 0.00 -0.26 0.00 0.00 57.72 53.46 1nhn n HIS 27 Cb 0.57 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.22 0.93 0.00 -0.41 -0.04 0.12 -2.42 135.00 132.96 1nhn n PRO 28 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1nhn n PRO 28 Cb 0.39 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.49 0.75 3.99 0.55 0.00 -1.26 -5.10 105.19 104.60 1nhn n GLY 29 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.26 3.03 0.49 0.99 1.43 -1.02 -5.12 118.68 118.23 1nhn s LEU 30 Ca 0.00 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1nhn s LEU 30 Cb 0.00 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1nhn s LEU 30 CO 0.00 -1.69 0.21 -0.55 0.23 0.00 0.00 176.35 174.55 1nhn s SER 31 N -4.66 4.41 -0.12 2.29 0.15 -1.26 -4.97 113.70 109.54 1nhn s SER 31 Ca 0.64 -1.31 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1nhn s SER 31 Cb -0.07 0.15 0.40 0.00 -1.71 0.00 0.00 66.02 64.80 1nhn s SER 31 CO 0.43 -0.84 1.13 0.00 1.20 0.00 0.00 173.24 175.15 1nhn n ILE 32 N -1.44 1.39 -0.02 6.45 3.06 -1.26 -1.57 119.36 125.97 1nhn n ILE 32 Ca -0.07 -0.70 -0.02 0.00 -2.50 0.00 0.00 62.75 59.47 1nhn n ILE 32 Cb 0.65 -0.41 -0.03 0.00 0.54 0.00 0.00 39.64 40.40 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 0.28 -0.17 0.21 4.50 0.00 -1.26 -4.35 105.19 104.41 1nhn n GLY 33 Ca 0.14 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.13 1.84 0.14 1.61 2.03 -1.10 -2.41 116.55 116.53 1nhn n ASP 34 Ca -0.06 0.22 0.07 0.00 0.52 0.00 0.00 54.79 55.54 1nhn n ASP 34 Cb 0.61 -0.66 0.55 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.72 1.03 -0.11 5.18 3.04 -1.60 0.28 116.25 123.35 1nhn h VAL 35 Ca -0.61 -0.08 -0.23 0.00 -1.01 0.00 0.00 66.70 64.77 1nhn h VAL 35 Cb 1.60 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1nhn h VAL 35 CO -0.33 0.04 -0.83 0.00 -1.01 0.00 0.00 177.57 175.44 1nhn h ALA 36 N 1.89 0.25 -0.42 3.17 0.00 -1.74 -2.31 119.26 120.10 1nhn h ALA 36 Ca 0.07 -0.62 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1nhn h ALA 36 Cb 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1nhn h ALA 36 CO -0.01 0.67 0.06 -0.22 0.00 0.00 0.00 179.25 179.75 1nhn h LYS 37 N 0.48 0.18 0.46 0.00 1.63 -0.16 0.32 116.57 119.48 1nhn h LYS 37 Ca -0.07 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1nhn h LYS 37 Cb 1.47 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 33.04 1nhn h LYS 37 CO 0.17 0.12 -0.46 0.87 -3.45 0.00 0.00 179.45 176.70 1nhn h LYS 38 N 0.19 -0.89 -0.41 1.90 1.79 -1.14 -2.13 116.57 115.88 1nhn h LYS 38 Ca 0.21 0.06 0.08 0.00 -2.18 0.00 0.00 60.65 58.82 1nhn h LYS 38 Cb 0.27 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 31.04 1nhn h LYS 38 CO -0.29 -0.59 -0.11 -0.07 -1.08 0.00 0.00 179.45 177.31 1nhn h LEU 39 N -0.92 -0.39 -1.02 2.94 3.38 -1.01 -0.04 115.31 118.24 1nhn h LEU 39 Ca -0.05 0.12 0.38 0.00 0.09 0.00 0.00 57.88 58.43 1nhn h LEU 39 Cb 0.81 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1nhn h LEU 39 CO -0.06 -0.14 0.61 0.61 0.09 0.00 0.00 178.44 179.55 1nhn n GLY 40 N -1.32 -0.68 0.08 0.83 0.00 0.11 -0.84 105.19 103.37 1nhn n GLY 40 Ca 0.02 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.64 0.48 -0.35 1.61 -0.58 -0.28 -4.40 120.64 112.47 1nhn n GLU 41 Ca 0.33 0.49 0.29 0.00 -0.42 0.00 0.00 57.16 57.85 1nhn n GLU 41 Cb 1.22 -1.67 0.54 0.00 -0.57 0.00 0.00 31.44 30.97 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 0.18 -0.37 3.49 2.86 0.59 -0.46 114.93 120.22 1nhn h MET 42 Ca -0.06 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1nhn h MET 42 Cb 0.68 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1nhn h MET 42 CO -0.03 0.12 0.28 2.35 1.06 0.00 0.00 176.91 180.68 1nhn h TRP 43 N 0.19 0.00 0.24 -0.22 2.91 -1.20 0.41 115.95 118.28 1nhn h TRP 43 Ca 0.78 0.00 -0.33 0.00 1.13 0.00 0.00 58.89 60.47 1nhn h TRP 43 Cb 2.01 0.00 0.04 0.00 -0.51 0.00 0.00 29.16 30.70 1nhn h TRP 43 CO -0.01 0.00 -1.45 -0.91 -1.03 0.00 0.00 178.44 175.04 1nhn h ASN 44 N 0.00 0.85 -0.58 2.65 2.35 -1.30 -3.20 115.58 116.34 1nhn h ASN 44 Ca 0.18 -0.89 -0.39 0.00 -0.55 0.00 0.00 56.30 54.65 1nhn h ASN 44 Cb 0.73 -0.27 -0.17 0.00 0.05 0.00 0.00 38.32 38.65 1nhn h ASN 44 CO -0.00 1.70 0.50 0.59 -1.65 0.00 0.00 177.43 178.56 1nhn n ASN 45 N -3.72 6.44 -0.47 5.81 3.02 -0.05 -4.89 115.26 121.40 1nhn n ASN 45 Ca -0.16 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1nhn n ASN 45 Cb 1.09 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.04 0.00 -1.05 3.41 5.66 -0.15 -4.91 114.28 117.28 1nhn n THR 46 Ca 0.37 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.41 1nhn n THR 46 Cb 0.65 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.70 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 3.51 -0.35 1.79 0.00 -1.26 -4.95 120.51 116.25 1nhn n ALA 47 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1nhn n ALA 47 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.41 0.00 0.00 0.00 0.00 -1.26 -3.95 120.51 114.89 1nhn n ALA 48 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1nhn n ALA 48 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1nhn n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nhn n ASP 49 N 1.86 1.20 0.14 0.00 8.00 -1.26 -4.70 116.55 121.79 1nhn n ASP 49 Ca 0.00 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.57 1nhn n ASP 49 Cb 0.00 0.33 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 1nhn n ASP 49 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1nhn h ASP 50 N 0.00 0.00 -0.18 -2.24 1.82 -1.97 -3.30 116.42 110.56 1nhn h ASP 50 Ca 0.00 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.49 1nhn h ASP 50 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1nhn h ASP 50 CO 0.00 0.00 -0.45 0.11 -1.61 0.00 0.00 179.24 177.29 1nhn h LYS 51 N 0.00 0.62 -0.85 0.28 1.57 -1.90 -3.25 116.57 113.05 1nhn h LYS 51 Ca 0.00 -0.43 0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1nhn h LYS 51 Cb 0.99 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 1nhn h LYS 51 CO 0.00 1.05 -0.49 1.96 -0.57 0.00 0.00 179.45 181.40 1nhn h GLN 52 N 0.29 -0.09 0.39 3.15 7.50 -1.87 0.31 115.11 124.79 1nhn h GLN 52 Ca -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1nhn h GLN 52 Cb 1.07 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.60 1nhn h GLN 52 CO 0.10 -0.06 -0.29 -1.00 -1.50 0.00 0.00 178.83 176.08 1nhn h PRO 53 N -0.09 -0.66 -0.90 1.46 0.13 -1.75 -2.44 132.00 127.76 1nhn h PRO 53 Ca 0.21 0.04 0.20 0.00 -0.87 0.00 0.00 66.00 65.59 1nhn h PRO 53 Cb 0.52 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 31.68 1nhn h PRO 53 CO -0.86 -0.44 0.44 1.88 -0.23 0.00 0.00 178.00 178.79 1nhn h TYR 54 N -0.68 0.75 0.57 1.56 0.05 -1.35 -1.64 116.97 116.21 1nhn h TYR 54 Ca -0.03 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1nhn h TYR 54 Cb 0.59 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1nhn h TYR 54 CO -0.14 0.05 -0.42 0.93 -1.05 0.00 0.00 178.16 177.53 1nhn h GLU 55 N 0.50 -0.91 -1.22 4.88 5.08 -0.12 0.26 114.58 123.05 1nhn h GLU 55 Ca 0.54 0.06 0.35 0.00 -1.00 0.00 0.00 59.36 59.32 1nhn h GLU 55 Cb 0.95 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1nhn h GLU 55 CO -0.47 -0.61 0.87 0.87 -1.00 0.00 0.00 179.01 178.68 1nhn h LYS 56 N -0.94 0.04 0.12 2.33 1.57 -0.85 0.17 116.57 119.01 1nhn h LYS 56 Ca -0.07 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1nhn h LYS 56 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1nhn h LYS 56 CO 0.03 0.03 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.66 1nhn h LYS 57 N 0.04 -0.15 -0.88 3.15 3.64 -0.73 -2.81 116.57 118.83 1nhn h LYS 57 Ca 0.60 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 60.15 1nhn h LYS 57 Cb 2.29 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 33.99 1nhn h LYS 57 CO -0.05 0.29 -0.28 0.00 -2.27 0.00 0.00 179.45 177.14 1nhn h ALA 58 N -0.41 0.38 -0.15 5.00 0.00 0.21 0.30 119.26 124.59 1nhn h ALA 58 Ca -0.02 0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1nhn h ALA 58 Cb 0.51 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1nhn h ALA 58 CO 0.03 -0.50 -0.31 0.00 0.00 0.00 0.00 179.25 178.47 1nhn h ALA 59 N 1.62 -0.33 -0.73 0.00 0.00 -0.89 0.45 119.26 119.38 1nhn h ALA 59 Ca 0.38 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.48 1nhn h ALA 59 Cb 0.62 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1nhn h ALA 59 CO -0.90 -0.78 0.17 -0.22 0.00 0.00 0.00 179.25 177.52 1nhn h LYS 60 N -0.37 0.26 0.35 0.00 3.64 -0.16 0.19 116.57 120.47 1nhn h LYS 60 Ca 0.10 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1nhn h LYS 60 Cb 0.53 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1nhn h LYS 60 CO -0.36 0.17 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.75 1nhn h LEU 61 N 0.26 -0.39 -1.12 5.20 3.38 -0.14 -1.76 115.31 120.74 1nhn h LEU 61 Ca 0.41 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1nhn h LEU 61 Cb 0.70 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 1nhn h LEU 61 CO -0.51 -0.18 0.61 0.11 0.09 0.00 0.00 178.44 178.56 1nhn h LYS 62 N -0.59 0.87 0.83 1.13 1.57 -0.31 -1.83 116.57 118.24 1nhn h LYS 62 Ca -0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1nhn h LYS 62 Cb 0.43 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1nhn h LYS 62 CO 0.08 0.58 -0.40 1.49 -0.57 0.00 0.00 179.45 180.63 1nhn h GLU 63 N 0.90 -1.07 -0.92 3.15 4.81 -0.51 0.84 114.58 121.78 1nhn h GLU 63 Ca 0.47 0.07 0.24 0.00 -0.13 0.00 0.00 59.36 60.01 1nhn h GLU 63 Cb 0.53 0.24 -0.17 0.00 0.63 0.00 0.00 28.75 29.98 1nhn h GLU 63 CO -0.23 -0.71 0.03 -0.22 -0.73 0.00 0.00 179.01 177.15 1nhn h LYS 64 N -1.15 0.05 0.46 1.92 3.11 -0.49 0.51 116.57 120.99 1nhn h LYS 64 Ca -0.11 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 1nhn h LYS 64 Cb 0.86 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 1nhn h LYS 64 CO 0.19 0.03 -0.23 -0.92 -2.81 0.00 0.00 179.45 175.72 1nhn h TYR 65 N 0.05 -0.59 -1.14 1.91 3.20 -1.10 -1.51 116.97 117.79 1nhn h TYR 65 Ca 0.54 -0.01 0.40 0.00 3.14 0.00 0.00 58.73 62.80 1nhn h TYR 65 Cb 1.06 0.20 -0.12 0.00 1.54 0.00 0.00 36.73 39.40 1nhn h TYR 65 CO -0.47 -0.36 0.72 0.39 -1.64 0.00 0.00 178.16 176.80 1nhn n GLU 66 N -3.69 -0.03 -0.03 1.82 -0.58 0.26 0.15 120.64 118.53 1nhn n GLU 66 Ca -0.08 1.09 -0.14 0.00 -0.42 0.00 0.00 57.16 57.62 1nhn n GLU 66 Cb 0.25 -2.13 -0.10 0.00 -0.57 0.00 0.00 31.44 28.89 1nhn n GLU 66 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1nhn h LYS 67 N 0.00 0.15 -0.88 3.49 6.56 -0.85 -0.59 116.57 124.45 1nhn h LYS 67 Ca 0.75 -0.12 0.14 0.00 -1.06 0.00 0.00 60.65 60.36 1nhn h LYS 67 Cb 2.37 0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 33.98 1nhn h LYS 67 CO -0.44 0.78 0.57 0.22 -2.06 0.00 0.00 179.45 178.52 1nhn h ASP 68 N -0.44 0.65 0.03 0.86 1.82 0.24 0.11 116.42 119.69 1nhn h ASP 68 Ca -0.01 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1nhn h ASP 68 Cb 0.81 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1nhn h ASP 68 CO 0.03 0.34 -0.02 -0.29 -1.61 0.00 0.00 179.24 177.69 1nhn h ILE 69 N 0.69 1.31 -1.06 2.25 -0.00 -0.77 -1.87 117.51 118.06 1nhn h ILE 69 Ca 0.44 -1.15 0.28 0.00 -0.00 0.00 0.00 64.86 64.43 1nhn h ILE 69 Cb 0.69 2.06 -0.08 0.00 -0.00 0.00 0.00 36.82 39.49 1nhn h ILE 69 CO -0.19 0.29 0.70 0.00 -0.00 0.00 0.00 178.15 178.95 1nhn h ALA 70 N 0.38 2.47 -0.10 0.18 0.00 0.16 0.18 119.26 122.52 1nhn h ALA 70 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nhn h ALA 70 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1nhn h ALA 70 CO 0.01 -0.85 -0.22 0.00 0.00 0.00 0.00 179.25 178.19 1nhn h ALA 71 N 1.57 0.16 -0.89 0.00 0.00 -0.51 -0.22 119.26 119.38 1nhn h ALA 71 Ca 0.57 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1nhn h ALA 71 Cb 1.68 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 1nhn h ALA 71 CO -0.21 0.12 0.56 -0.92 0.00 0.00 0.00 179.25 178.80 1nhn h TYR 72 N -0.12 1.03 0.07 0.00 3.20 0.12 -2.25 116.97 119.02 1nhn h TYR 72 Ca 0.00 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.66 1nhn h TYR 72 Cb 0.82 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1nhn h TYR 72 CO 0.11 0.54 -1.09 -0.09 -1.64 0.00 0.00 178.16 175.99 1nhn h ARG 73 N 1.03 0.23 -1.07 1.82 1.12 -1.21 -3.26 114.38 113.04 1nhn h ARG 73 Ca 0.38 -0.34 0.31 0.00 -1.11 0.00 0.00 59.98 59.22 1nhn h ARG 73 Cb 0.14 0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.17 1nhn h ARG 73 CO -0.16 1.11 0.87 0.00 -3.11 0.00 0.00 179.97 178.68 1nhn h ALA 74 N 0.75 2.96 -5.73 2.80 0.00 -0.40 -3.41 119.26 116.22 1nhn h ALA 74 Ca -0.09 -0.04 -0.45 0.00 0.00 0.00 0.00 54.91 54.33 1nhn h ALA 74 Cb 1.79 0.08 0.07 0.00 0.00 0.00 0.00 17.79 19.72 1nhn h ALA 74 CO 0.17 -1.41 0.07 1.17 0.00 0.00 0.00 179.25 179.25 1nhn n LYS 75 N -3.93 0.09 0.00 0.00 4.81 -1.20 -4.74 118.16 113.18 1nhn n LYS 75 Ca 0.23 -2.71 0.00 0.00 -0.87 0.00 0.00 58.31 54.96 1nhn n LYS 75 Cb 1.22 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 35.73 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nhn n GLY 76 N -2.24 3.64 2.83 3.14 0.00 -1.26 -4.94 105.19 106.36 1nhn n GLY 76 Ca 0.16 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 3.10 0.31 1.61 5.02 -1.26 -4.90 118.16 122.03 1nhn n LYS 77 Ca 0.00 -4.82 0.18 0.00 -2.02 0.00 0.00 58.31 51.65 1nhn n LYS 77 Cb 0.00 -2.24 1.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 3.21 0.00 -5.31 1.97 0.13 -1.93 -3.29 132.00 126.78 1nhn h PRO 78 Ca 0.14 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.58 1nhn h PRO 78 Cb 0.53 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.53 1nhn h PRO 78 CO 0.82 0.00 1.58 -0.51 -0.23 0.00 0.00 178.00 179.66 1nhn s ASP 79 N -5.77 6.87 -1.22 1.44 1.01 -1.26 -4.91 116.67 112.83 1nhn s ASP 79 Ca -0.05 -2.50 -0.10 0.00 0.71 0.00 0.00 52.55 50.61 1nhn s ASP 79 Cb 0.14 -2.48 0.20 0.00 1.01 0.00 0.00 42.92 41.79 1nhn s ASP 79 CO 0.50 -1.02 1.63 0.00 0.21 0.00 0.00 175.17 176.48 1nhn n ALA 80 N 7.06 4.78 0.00 5.23 0.00 -1.24 -5.19 120.51 131.15 1nhn n ALA 80 Ca 0.38 -4.39 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1nhn n ALA 80 Cb 0.46 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50