#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 -0.53 -0.80 5.41 0.00 -1.26 -4.74 120.51 118.60 1nhn n ALA 4 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1nhn n ALA 4 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.32 0.00 -3.83 0.00 -0.02 -1.26 -4.99 135.00 124.58 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 -0.76 -0.15 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 -1.38 1.03 0.00 -0.52 -2.85 -1.26 -5.06 119.74 109.71 1nhn s LYS 6 Ca 0.33 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.18 1nhn s LYS 6 Cb -0.18 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 1nhn s LYS 6 CO 0.61 -0.86 0.00 2.89 0.10 0.00 0.00 175.35 178.09 1nhn n ARG 7 N 4.73 0.00 -2.05 1.78 0.00 -1.26 -4.91 116.66 114.94 1nhn n ARG 7 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.53 1nhn n ARG 7 Cb 0.43 0.00 0.12 0.00 -0.00 0.00 0.00 32.46 33.01 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1nhn s PRO 8 N 0.00 1.58 0.00 2.89 0.04 -1.26 -4.99 135.00 133.26 1nhn s PRO 8 Ca 0.00 -0.26 -0.00 0.00 0.04 0.00 0.00 61.00 60.78 1nhn s PRO 8 Cb 0.00 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1nhn s PRO 8 CO 0.00 -1.75 0.00 -2.30 0.04 0.00 0.00 177.00 172.99 1nhn n PRO 9 N -3.31 0.00 -0.49 0.56 -0.02 -1.26 -4.76 135.00 125.72 1nhn n PRO 9 Ca 0.11 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1nhn n PRO 9 Cb 0.60 -0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.24 1nhn n PRO 9 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1nhn n SER 10 N 0.00 1.77 0.00 2.55 7.64 -1.26 -4.61 113.62 119.71 1nhn n SER 10 Ca 0.00 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1nhn n SER 10 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nhn n ALA 11 N -1.02 0.00 1.04 -0.43 0.00 -1.26 -4.49 120.51 114.34 1nhn n ALA 11 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1nhn n ALA 11 Cb 0.71 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.75 1nhn n ALA 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nhn n PHE 12 N 0.00 0.00 0.06 0.00 7.35 -1.26 -3.34 117.46 120.26 1nhn n PHE 12 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1nhn n PHE 12 Cb 0.00 -0.45 -0.15 0.00 0.35 0.00 0.00 39.48 39.24 1nhn n PHE 12 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1nhn h PHE 13 N 0.01 0.59 -0.11 -5.13 3.04 -1.93 -1.39 116.94 112.02 1nhn h PHE 13 Ca 0.00 -0.43 0.04 0.00 3.98 0.00 0.00 57.97 61.56 1nhn h PHE 13 Cb 0.48 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 1nhn h PHE 13 CO 0.00 1.37 -0.20 -0.07 -2.02 0.00 0.00 178.31 177.39 1nhn h LEU 14 N -0.30 -0.60 -0.77 0.59 -0.00 -1.93 -0.48 115.31 111.80 1nhn h LEU 14 Ca -0.17 0.10 0.11 0.00 -0.00 0.00 0.00 57.88 57.92 1nhn h LEU 14 Cb 1.72 0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 42.57 1nhn h LEU 14 CO 0.16 -0.25 0.39 0.15 -0.00 0.00 0.00 178.44 178.89 1nhn h PHE 15 N -0.26 0.69 0.00 1.13 3.57 -1.63 -1.29 116.94 119.16 1nhn h PHE 15 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1nhn h PHE 15 Cb 0.39 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1nhn h PHE 15 CO -0.29 0.22 0.00 0.00 -2.23 0.00 0.00 178.31 176.01 1nhn n SER 17 N -1.47 2.23 0.22 0.00 3.41 -0.54 -2.96 113.62 114.50 1nhn n SER 17 Ca 0.04 -0.11 0.09 0.00 -0.26 0.00 0.00 58.87 58.63 1nhn n SER 17 Cb 0.17 -0.30 0.45 0.00 -0.26 0.00 0.00 64.21 64.26 1nhn n SER 17 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nhn h GLU 18 N 0.00 0.00 0.00 4.33 5.08 -1.40 -3.37 114.58 119.22 1nhn h GLU 18 Ca -0.49 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.62 1nhn h GLU 18 Cb 1.77 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.98 1nhn h GLU 18 CO -0.07 0.25 -1.88 0.66 -1.00 0.00 0.00 179.01 176.97 1nhn n TYR 19 N -3.45 0.00 -0.36 4.33 4.02 -0.87 -4.47 117.16 116.36 1nhn n TYR 19 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.87 1nhn n TYR 19 Cb 0.43 -0.59 0.03 0.00 -0.02 0.00 0.00 39.34 39.20 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 -3.24 -0.23 0.00 -0.72 0.63 -1.16 -0.06 116.66 111.88 1nhn n ARG 20 Ca -0.29 1.44 0.14 0.00 -0.92 0.00 0.00 57.85 58.22 1nhn n ARG 20 Cb 0.76 -2.13 0.78 0.00 0.45 0.00 0.00 32.46 32.32 1nhn n ARG 20 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nhn n PRO 21 N -5.37 0.60 -0.13 -0.14 -0.02 -1.26 -1.13 135.00 127.56 1nhn n PRO 21 Ca 0.09 0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.32 1nhn n PRO 21 Cb 0.37 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 1nhn n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nhn n LYS 22 N -1.18 0.61 -0.04 -0.52 4.81 0.91 -2.21 118.16 120.54 1nhn n LYS 22 Ca 0.17 0.27 -0.11 0.00 -0.87 0.00 0.00 58.31 57.77 1nhn n LYS 22 Cb 0.18 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 1nhn n LYS 22 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1nhn h ILE 23 N -0.71 1.13 -0.91 3.15 2.04 -1.05 -0.96 117.51 120.19 1nhn h ILE 23 Ca -0.63 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 64.98 1nhn h ILE 23 Cb 1.67 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 38.75 1nhn h ILE 23 CO -0.30 0.12 0.55 0.50 0.00 0.00 0.00 178.15 179.01 1nhn h LYS 24 N 0.13 0.86 -1.14 2.37 3.64 -1.30 0.92 116.57 122.05 1nhn h LYS 24 Ca 0.06 -0.05 0.35 0.00 -1.27 0.00 0.00 60.65 59.73 1nhn h LYS 24 Cb 0.12 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 31.62 1nhn h LYS 24 CO -0.01 0.57 0.71 0.78 -2.27 0.00 0.00 179.45 179.23 1nhn h GLY 25 N 0.88 1.47 -0.30 5.01 0.00 -0.70 -1.87 103.07 107.57 1nhn h GLY 25 Ca 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1nhn h GLY 25 CO -0.26 -0.34 -0.07 -1.84 0.00 0.00 0.00 176.54 174.03 1nhn n GLU 26 N -4.77 1.52 -2.77 4.80 0.28 0.34 -4.84 120.64 115.20 1nhn n GLU 26 Ca 0.32 -0.57 -0.34 0.00 -0.16 0.00 0.00 57.16 56.41 1nhn n GLU 26 Cb 1.13 -0.99 -0.01 0.00 1.43 0.00 0.00 31.44 33.00 1nhn n GLU 26 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1nhn n HIS 27 N -0.14 3.42 -1.01 -1.84 1.44 0.29 -4.90 115.22 112.48 1nhn n HIS 27 Ca 0.02 -3.27 -0.29 0.00 -2.01 0.00 0.00 57.72 52.18 1nhn n HIS 27 Cb 0.12 -0.83 -0.03 0.00 0.12 0.00 0.00 29.99 29.36 1nhn n HIS 27 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1nhn n PRO 28 N -0.17 2.81 0.00 -1.40 -0.04 -1.26 -1.98 135.00 132.97 1nhn n PRO 28 Ca 0.39 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1nhn n PRO 28 Cb 0.33 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.57 0.31 4.00 0.55 0.00 -1.26 -5.15 105.19 107.21 1nhn n GLY 29 Ca 0.60 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 3.08 0.43 0.99 1.43 -0.84 -5.12 118.68 118.66 1nhn s LEU 30 Ca 0.00 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1nhn s LEU 30 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1nhn s LEU 30 CO 0.00 -1.59 0.03 -0.44 0.23 0.00 0.00 176.35 174.59 1nhn s SER 31 N -4.65 3.55 -0.12 2.29 0.01 -1.26 -4.99 113.70 108.51 1nhn s SER 31 Ca 0.63 -1.53 0.06 0.00 1.31 0.00 0.00 55.95 56.42 1nhn s SER 31 Cb -0.06 0.15 0.36 0.00 0.21 0.00 0.00 66.02 66.68 1nhn s SER 31 CO 0.42 -0.71 1.13 0.00 0.41 0.00 0.00 173.24 174.49 1nhn n ILE 32 N -1.02 1.38 0.00 1.44 3.06 -1.26 -1.42 119.36 121.54 1nhn n ILE 32 Ca -0.10 -0.68 0.00 0.00 -2.50 0.00 0.00 62.75 59.47 1nhn n ILE 32 Cb 0.67 -0.46 0.00 0.00 0.54 0.00 0.00 39.64 40.39 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 0.20 0.00 0.12 4.50 0.00 -1.26 -4.37 105.19 104.39 1nhn n GLY 33 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.76 1.95 -0.30 1.61 2.03 -0.95 -2.91 116.55 116.23 1nhn n ASP 34 Ca 0.00 0.34 0.19 0.00 0.52 0.00 0.00 54.79 55.83 1nhn n ASP 34 Cb 0.31 -0.79 0.46 0.00 -0.72 0.00 0.00 41.12 40.38 1nhn n ASP 34 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1nhn h VAL 35 N -1.00 0.63 0.23 5.18 2.07 -1.55 0.50 116.25 122.30 1nhn h VAL 35 Ca -0.46 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1nhn h VAL 35 Cb 1.40 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1nhn h VAL 35 CO -0.28 0.09 -0.11 0.00 0.02 0.00 0.00 177.57 177.29 1nhn h ALA 36 N 1.62 -0.30 -0.19 1.67 0.00 -1.74 0.11 119.26 120.42 1nhn h ALA 36 Ca 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1nhn h ALA 36 Cb 1.21 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1nhn h ALA 36 CO -0.27 -0.63 0.02 0.87 0.00 0.00 0.00 179.25 179.23 1nhn h LYS 37 N -0.39 0.27 0.45 0.00 1.57 -0.05 0.34 116.57 118.76 1nhn h LYS 37 Ca -0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1nhn h LYS 37 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1nhn h LYS 37 CO 0.05 0.28 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.78 1nhn h LYS 38 N 0.27 -0.58 -0.44 3.15 1.63 -0.15 -2.21 116.57 118.24 1nhn h LYS 38 Ca 0.07 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 1nhn h LYS 38 Cb 0.16 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 1nhn h LYS 38 CO 0.00 -0.38 0.13 -0.07 -3.45 0.00 0.00 179.45 175.68 1nhn h LEU 39 N -0.79 0.11 -1.68 5.20 3.38 -0.73 0.16 115.31 120.96 1nhn h LEU 39 Ca -0.06 0.06 0.53 0.00 0.09 0.00 0.00 57.88 58.50 1nhn h LEU 39 Cb 0.46 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 1nhn h LEU 39 CO 0.10 0.10 1.15 1.23 0.09 0.00 0.00 178.44 181.11 1nhn h GLY 40 N 0.29 0.73 0.00 0.83 0.00 -0.30 -1.60 103.07 103.03 1nhn h GLY 40 Ca 0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 1nhn h GLY 40 CO -0.24 -0.26 -1.44 1.18 0.00 0.00 0.00 176.54 175.79 1nhn n GLU 41 N -4.36 0.52 -0.41 4.80 -0.58 -0.25 -4.59 120.64 115.77 1nhn n GLU 41 Ca 0.43 0.21 0.37 0.00 -0.42 0.00 0.00 57.16 57.75 1nhn n GLU 41 Cb 1.80 -1.39 0.64 0.00 -0.57 0.00 0.00 31.44 31.91 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 -0.94 0.01 -0.48 3.49 2.86 -0.02 0.11 114.93 119.96 1nhn h MET 42 Ca -0.22 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1nhn h MET 42 Cb 1.15 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1nhn h MET 42 CO -0.13 0.01 0.32 2.35 1.06 0.00 0.00 176.91 180.52 1nhn h TRP 43 N 0.01 0.45 0.23 -0.22 2.91 -1.57 0.38 115.95 118.14 1nhn h TRP 43 Ca 0.87 0.01 -0.33 0.00 1.13 0.00 0.00 58.89 60.56 1nhn h TRP 43 Cb 2.57 -0.15 0.03 0.00 -0.51 0.00 0.00 29.16 31.11 1nhn h TRP 43 CO -0.01 0.25 -1.49 -0.91 -1.03 0.00 0.00 178.44 175.25 1nhn h ASN 44 N 0.45 0.77 -0.55 2.65 2.35 -1.07 -3.20 115.58 116.98 1nhn h ASN 44 Ca 0.20 -0.86 -0.35 0.00 -0.55 0.00 0.00 56.30 54.75 1nhn h ASN 44 Cb 0.24 -0.25 -0.16 0.00 0.05 0.00 0.00 38.32 38.20 1nhn h ASN 44 CO -0.05 1.68 0.45 0.59 -1.65 0.00 0.00 177.43 178.45 1nhn n ASN 45 N -3.68 5.74 -0.36 5.81 3.02 -0.44 -4.81 115.26 120.55 1nhn n ASN 45 Ca -0.17 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1nhn n ASN 45 Cb 1.09 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.01 0.00 -0.87 3.41 5.66 0.12 -4.84 114.28 117.77 1nhn n THR 46 Ca 0.34 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.41 1nhn n THR 46 Cb 0.74 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.93 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 3.86 -0.82 1.79 0.00 -1.26 -4.92 120.51 116.16 1nhn n ALA 47 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1nhn n ALA 47 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.64 -0.12 -0.01 0.00 0.00 -1.26 -3.86 120.51 115.90 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 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 0.32 0.00 -0.17 0.00 2.03 -1.26 -4.74 116.55 112.73 1nhn n ASP 49 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1nhn n ASP 49 Cb 0.06 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.68 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1nhn n ASP 50 N 0.00 0.99 -0.04 1.67 8.00 -1.25 -3.73 116.55 122.19 1nhn n ASP 50 Ca 0.00 -0.78 -0.14 0.00 0.71 0.00 0.00 54.79 54.58 1nhn n ASP 50 Cb 0.00 0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nhn h LYS 51 N 0.83 0.04 -0.99 -1.24 1.79 -1.89 -3.23 116.57 111.88 1nhn h LYS 51 Ca 0.00 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.53 1nhn h LYS 51 Cb 0.54 0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.07 1nhn h LYS 51 CO 0.00 0.74 -0.58 1.04 -1.08 0.00 0.00 179.45 179.57 1nhn n GLN 52 N -4.71 -0.43 0.15 3.15 3.00 -1.24 -0.06 117.38 117.24 1nhn n GLN 52 Ca -0.09 1.50 -0.14 0.00 -0.01 0.00 0.00 57.00 58.25 1nhn n GLN 52 Cb 0.37 -2.21 -0.07 0.00 0.00 0.00 0.00 30.24 28.34 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 -0.63 -0.62 -1.09 0.13 -1.74 -1.65 132.00 126.40 1nhn h PRO 53 Ca 0.17 0.04 0.12 0.00 -0.87 0.00 0.00 66.00 65.46 1nhn h PRO 53 Cb 0.41 0.14 -0.10 0.00 0.13 0.00 0.00 31.00 31.59 1nhn h PRO 53 CO -0.93 -0.42 0.08 1.88 -0.23 0.00 0.00 178.00 178.38 1nhn h TYR 54 N -0.65 0.11 0.24 1.56 -1.99 -1.36 -2.41 116.97 112.48 1nhn h TYR 54 Ca 0.01 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1nhn h TYR 54 Cb 0.65 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 1nhn h TYR 54 CO -0.29 -0.09 -0.28 0.93 -0.00 0.00 0.00 178.16 178.43 1nhn h GLU 55 N 0.20 -0.51 -1.47 4.88 4.39 -0.20 -0.18 114.58 121.70 1nhn h GLU 55 Ca 0.33 0.03 0.46 0.00 0.34 0.00 0.00 59.36 60.53 1nhn h GLU 55 Cb 0.52 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.17 1nhn h GLU 55 CO -0.46 -0.34 0.98 0.87 -1.16 0.00 0.00 179.01 178.91 1nhn h LYS 56 N -0.53 0.05 0.09 2.33 1.57 -0.81 0.30 116.57 119.58 1nhn h LYS 56 Ca -0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1nhn h LYS 56 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1nhn h LYS 56 CO -0.05 0.04 -0.04 0.87 -0.57 0.00 0.00 179.45 179.69 1nhn h LYS 57 N 0.06 -0.11 -0.88 3.15 1.57 -1.11 -2.01 116.57 117.24 1nhn h LYS 57 Ca 0.83 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.82 1nhn h LYS 57 Cb 2.84 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 35.01 1nhn h LYS 57 CO -0.30 -0.07 -0.12 0.00 -0.57 0.00 0.00 179.45 178.38 1nhn h ALA 58 N -1.66 0.74 -0.12 3.86 0.00 -0.04 0.30 119.26 122.35 1nhn h ALA 58 Ca -0.01 0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1nhn h ALA 58 Cb 0.09 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nhn h ALA 58 CO 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 179.25 178.80 1nhn h ALA 59 N 1.87 0.07 -0.24 0.00 0.00 -0.56 -0.36 119.26 120.04 1nhn h ALA 59 Ca 0.46 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.44 1nhn h ALA 59 Cb 0.78 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1nhn h ALA 59 CO -0.86 -0.49 0.05 -0.22 0.00 0.00 0.00 179.25 177.73 1nhn h LYS 60 N -0.01 0.14 0.12 0.00 1.63 -0.18 0.11 116.57 118.39 1nhn h LYS 60 Ca 0.06 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1nhn h LYS 60 Cb 0.09 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1nhn h LYS 60 CO -0.12 0.10 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.85 1nhn h LEU 61 N 0.15 -0.14 -0.98 5.20 3.38 -0.99 -1.36 115.31 120.57 1nhn h LEU 61 Ca 0.11 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1nhn h LEU 61 Cb 0.10 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nhn h LEU 61 CO -0.14 0.01 -0.43 0.07 0.09 0.00 0.00 178.44 178.05 1nhn h LYS 62 N -0.28 0.00 0.90 1.13 2.10 -1.01 -2.39 116.57 117.02 1nhn h LYS 62 Ca -0.02 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.59 1nhn h LYS 62 Cb 0.23 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1nhn h LYS 62 CO 0.03 0.43 -0.43 1.49 -2.00 0.00 0.00 179.45 178.96 1nhn h GLU 63 N 0.00 -1.17 -0.79 0.07 4.81 -0.61 -1.71 114.58 115.18 1nhn h GLU 63 Ca -0.00 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 1nhn h GLU 63 Cb 0.89 0.27 -0.14 0.00 0.63 0.00 0.00 28.75 30.40 1nhn h GLU 63 CO 0.06 -0.78 -0.32 -0.22 -0.73 0.00 0.00 179.01 177.02 1nhn h LYS 64 N -1.30 -0.06 0.00 1.92 3.64 -1.11 -1.88 116.57 117.78 1nhn h LYS 64 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1nhn h LYS 64 Cb 0.93 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1nhn h LYS 64 CO 0.20 -0.04 0.00 0.98 -2.27 0.00 0.00 179.45 178.32 1nhn n TYR 65 N -5.48 0.00 -0.52 1.91 4.19 -0.91 -1.02 117.16 115.33 1nhn n TYR 65 Ca 0.08 0.00 0.42 0.00 3.31 0.00 0.00 57.90 61.71 1nhn n TYR 65 Cb 0.39 -0.44 0.68 0.00 0.49 0.00 0.00 39.34 40.46 1nhn n TYR 65 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1nhn n GLU 66 N -2.56 -0.02 -0.07 2.98 1.02 -0.67 0.30 120.64 121.63 1nhn n GLU 66 Ca 0.00 1.11 -0.13 0.00 -0.02 0.00 0.00 57.16 58.12 1nhn n GLU 66 Cb 0.00 -2.31 -0.12 0.00 -0.02 0.00 0.00 31.44 28.99 1nhn n GLU 66 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1nhn h LYS 67 N 0.00 0.00 0.00 3.49 6.56 -0.89 -2.12 116.57 123.61 1nhn h LYS 67 Ca 0.84 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.43 1nhn h LYS 67 Cb 2.95 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.61 1nhn h LYS 67 CO -0.29 0.91 -0.02 0.22 -2.06 0.00 0.00 179.45 178.21 1nhn h ASP 68 N -1.00 0.00 0.00 0.86 3.58 0.69 -0.73 116.42 119.82 1nhn h ASP 68 Ca -0.03 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 1nhn h ASP 68 Cb 0.94 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1nhn h ASP 68 CO -0.02 0.02 -0.32 -0.29 -2.88 0.00 0.00 179.24 175.75 1nhn h ILE 69 N 0.00 1.52 -0.89 2.25 -0.00 -0.24 -2.23 117.51 117.92 1nhn h ILE 69 Ca -0.00 -2.26 0.22 0.00 -0.00 0.00 0.00 64.86 62.82 1nhn h ILE 69 Cb 0.40 3.00 -0.06 0.00 -0.00 0.00 0.00 36.82 40.16 1nhn h ILE 69 CO 0.00 0.52 0.61 0.00 -0.00 0.00 0.00 178.15 179.28 1nhn h ALA 70 N -0.15 2.45 0.33 0.18 0.00 -0.99 -0.56 119.26 120.51 1nhn h ALA 70 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1nhn h ALA 70 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nhn h ALA 70 CO -0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 179.25 178.31 1nhn h ALA 71 N 1.60 -0.45 -0.96 0.00 0.00 -1.13 -1.22 119.26 117.10 1nhn h ALA 71 Ca 0.45 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.40 1nhn h ALA 71 Cb 1.37 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1nhn h ALA 71 CO -0.12 -0.51 0.52 -0.92 0.00 0.00 0.00 179.25 178.22 1nhn h TYR 72 N -0.93 0.88 -0.01 0.00 3.20 -0.53 0.36 116.97 119.95 1nhn h TYR 72 Ca -0.05 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 1nhn h TYR 72 Cb 0.52 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1nhn h TYR 72 CO 0.03 0.04 -0.79 -0.09 -1.64 0.00 0.00 178.16 175.72 1nhn h ARG 73 N 0.53 0.09 0.00 1.82 2.43 -1.20 -3.07 114.38 114.97 1nhn h ARG 73 Ca 0.60 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1nhn h ARG 73 Cb 1.12 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1nhn h ARG 73 CO -0.48 0.82 0.00 0.00 -1.51 0.00 0.00 179.97 178.80 1nhn n ALA 74 N -2.42 2.38 -2.24 2.80 0.00 0.11 -4.86 120.51 116.27 1nhn n ALA 74 Ca -0.02 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1nhn n ALA 74 Cb 0.75 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1nhn n ALA 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nhn s LYS 75 N -2.84 3.31 0.00 0.00 2.20 -0.10 -4.43 119.74 117.88 1nhn s LYS 75 Ca 0.19 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1nhn s LYS 75 Cb 0.19 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1nhn s LYS 75 CO 0.50 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 1nhn n GLY 76 N -2.31 2.52 0.12 5.54 0.00 -1.26 -4.89 105.19 104.91 1nhn n GLY 76 Ca 0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1nhn n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nhn n LYS 77 N 0.00 0.56 -0.07 1.61 3.00 -1.26 -4.70 118.16 117.30 1nhn n LYS 77 Ca 0.00 0.27 0.07 0.00 -0.00 0.00 0.00 58.31 58.65 1nhn n LYS 77 Cb 0.00 -1.49 0.43 0.00 0.00 0.00 0.00 35.03 33.97 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1nhn h PRO 78 N -1.00 0.55 -1.18 1.64 0.13 -1.90 -3.46 132.00 126.78 1nhn h PRO 78 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nhn h PRO 78 Cb 1.36 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nhn h PRO 78 CO -0.26 0.36 0.00 -0.40 -0.23 0.00 0.00 178.00 177.47 1nhn n ASP 79 N -4.47 0.00 -3.71 1.44 5.68 -1.26 -4.70 116.55 109.53 1nhn n ASP 79 Ca 0.07 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.94 1nhn n ASP 79 Cb 0.20 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.13 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 -0.07 3.32 -0.11 2.12 0.00 -1.26 -5.18 120.51 119.34 1nhn n ALA 80 Ca 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1nhn n ALA 80 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 15.83 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50