#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 -1.39 -0.87 5.41 0.00 -1.26 -4.88 120.51 117.52 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 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 2.03 0.00 -3.64 0.00 -0.02 -1.26 -5.00 135.00 127.11 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 0.20 -0.74 -0.13 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 -0.97 0.95 0.00 -0.52 -2.85 -1.26 -5.06 119.74 110.03 1nhn s LYS 6 Ca 0.38 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1nhn s LYS 6 Cb -0.30 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 1nhn s LYS 6 CO 0.53 -1.14 0.00 0.54 0.10 0.00 0.00 175.35 175.38 1nhn n ARG 7 N 3.97 0.00 -0.57 1.78 1.74 -1.26 -4.93 116.66 117.39 1nhn n ARG 7 Ca 0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 1nhn n ARG 7 Cb 0.37 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.08 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1nhn s PRO 8 N 0.00 -2.21 0.01 5.56 0.02 -1.26 -4.88 135.00 132.25 1nhn s PRO 8 Ca 0.00 0.21 -0.07 0.00 0.02 0.00 0.00 61.00 61.16 1nhn s PRO 8 Cb 0.00 -1.46 -0.04 0.00 0.02 0.00 0.00 34.50 33.03 1nhn s PRO 8 CO 0.00 -4.42 0.18 -2.30 -0.33 0.00 0.00 177.00 170.13 1nhn n PRO 9 N -5.32 0.00 -1.04 5.54 -0.02 -1.26 -4.80 135.00 128.10 1nhn n PRO 9 Ca 0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.56 1nhn n PRO 9 Cb 0.59 -0.26 0.15 0.00 -0.02 0.00 0.00 33.50 33.96 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 0.31 2.60 0.00 2.55 2.88 -1.26 -4.55 113.62 116.15 1nhn n SER 10 Ca 0.04 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 1nhn n SER 10 Cb 0.02 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 -0.96 0.00 1.00 -1.46 0.00 -1.26 -4.54 120.51 113.29 1nhn n ALA 11 Ca 0.26 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.83 1nhn n ALA 11 Cb 0.78 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.81 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 0.01 0.06 0.00 7.35 -1.26 -3.40 117.46 120.22 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 -0.48 -0.15 0.00 0.35 0.00 0.00 39.48 39.20 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 0.00 0.59 0.06 -5.13 3.57 -1.91 -1.37 116.94 112.75 1nhn h PHE 13 Ca 0.00 -0.43 0.02 0.00 3.53 0.00 0.00 57.97 61.09 1nhn h PHE 13 Cb 0.50 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1nhn h PHE 13 CO 0.00 1.39 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.98 1nhn h LEU 14 N -0.29 -1.26 -0.59 0.59 -0.00 -1.94 -0.60 115.31 111.22 1nhn h LEU 14 Ca -0.19 0.15 0.12 0.00 -0.00 0.00 0.00 57.88 57.96 1nhn h LEU 14 Cb 1.74 0.48 -0.09 0.00 -0.00 0.00 0.00 40.66 42.79 1nhn h LEU 14 CO 0.15 -0.47 0.04 0.15 -0.00 0.00 0.00 178.44 178.30 1nhn h PHE 15 N -0.62 0.03 -0.17 1.13 3.57 -1.64 -1.83 116.94 117.41 1nhn h PHE 15 Ca 0.03 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1nhn h PHE 15 Cb 0.67 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 1nhn h PHE 15 CO -0.40 -0.12 -0.22 0.00 -2.23 0.00 0.00 178.31 175.35 1nhn h SER 17 N -0.26 -1.20 -0.97 0.00 0.02 -0.36 0.22 113.55 111.00 1nhn h SER 17 Ca 0.11 0.13 0.32 0.00 -0.84 0.00 0.00 61.79 61.51 1nhn h SER 17 Cb 0.43 0.45 -0.17 0.00 0.14 0.00 0.00 62.40 63.24 1nhn h SER 17 CO -0.32 -0.40 0.28 -0.33 -1.14 0.00 0.00 176.83 174.92 1nhn h GLU 18 N -0.53 0.06 0.00 3.45 4.39 -1.11 -2.91 114.58 117.93 1nhn h GLU 18 Ca 0.00 -0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 1nhn h GLU 18 Cb 0.55 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 1nhn h GLU 18 CO -0.23 0.04 -2.33 0.66 -1.16 0.00 0.00 179.01 175.99 1nhn n TYR 19 N -5.33 0.14 -0.22 4.33 4.02 -0.95 -4.66 117.16 114.49 1nhn n TYR 19 Ca 0.29 0.04 -0.05 0.00 -0.01 0.00 0.00 57.90 58.17 1nhn n TYR 19 Cb 0.94 -1.02 -0.04 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 -2.89 -0.21 -0.09 -0.72 0.63 0.74 -0.08 116.66 114.03 1nhn n ARG 20 Ca -0.34 0.81 0.06 0.00 -0.92 0.00 0.00 57.85 57.46 1nhn n ARG 20 Cb 1.11 -1.19 0.23 0.00 0.45 0.00 0.00 32.46 33.07 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 -4.69 1.49 -0.14 -0.14 -0.02 -1.26 -0.25 135.00 129.99 1nhn n PRO 21 Ca 0.02 -0.76 -0.29 0.00 -2.02 0.00 0.00 63.50 60.46 1nhn n PRO 21 Cb 0.15 -1.24 -0.10 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.06 0.58 -0.03 -0.52 4.81 0.89 -1.73 118.16 122.22 1nhn n LYS 22 Ca 0.11 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.66 1nhn n LYS 22 Cb 0.20 -1.47 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 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 -0.93 1.48 -0.54 3.15 3.07 -1.39 -2.67 117.51 119.68 1nhn h ILE 23 Ca -0.69 -1.51 0.02 0.00 1.55 0.00 0.00 64.86 64.23 1nhn h ILE 23 Cb 1.62 2.50 -0.03 0.00 -0.27 0.00 0.00 36.82 40.64 1nhn h ILE 23 CO -0.40 0.39 0.36 0.50 -1.05 0.00 0.00 178.15 177.94 1nhn h LYS 24 N -0.67 0.67 -0.88 0.16 3.64 -0.83 0.62 116.57 119.28 1nhn h LYS 24 Ca -0.00 -0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.57 1nhn h LYS 24 Cb 0.65 -0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.16 1nhn h LYS 24 CO 0.00 0.44 0.14 0.78 -2.27 0.00 0.00 179.45 178.55 1nhn h GLY 25 N 0.69 1.24 0.12 5.01 0.00 -1.00 0.16 103.07 109.30 1nhn h GLY 25 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1nhn h GLY 25 CO -0.05 -0.40 -1.60 -1.84 0.00 0.00 0.00 176.54 172.65 1nhn n GLU 26 N -5.32 0.46 -2.69 4.80 0.28 -0.66 -4.48 120.64 113.03 1nhn n GLU 26 Ca 0.21 -0.11 -0.34 0.00 -0.16 0.00 0.00 57.16 56.76 1nhn n GLU 26 Cb 0.67 -1.54 -0.01 0.00 1.43 0.00 0.00 31.44 32.00 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 -2.07 3.41 -0.30 -1.84 8.25 0.21 -4.81 115.22 118.06 1nhn n HIS 27 Ca -0.01 -3.21 -0.05 0.00 -0.26 0.00 0.00 57.72 54.19 1nhn n HIS 27 Cb 0.50 -0.79 0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 1.24 0.00 -0.41 -0.04 -0.11 -2.41 135.00 133.05 1nhn n PRO 28 Ca 0.40 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1nhn n PRO 28 Cb 0.35 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.91 0.00 3.72 0.55 0.00 -1.26 -5.08 105.19 104.02 1nhn n GLY 29 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1nhn n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nhn n LEU 30 N -0.85 0.00 -4.72 0.99 4.77 -1.01 -5.11 117.00 111.07 1nhn n LEU 30 Ca 0.00 -1.66 -0.28 0.00 -0.03 0.00 0.00 56.01 54.04 1nhn n LEU 30 Cb 0.05 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.22 1nhn n LEU 30 CO 0.00 -1.23 -0.20 -0.44 -1.33 0.00 0.00 177.39 174.18 1nhn s SER 31 N -5.37 4.19 -0.14 -1.43 0.01 -1.26 -4.97 113.70 104.72 1nhn s SER 31 Ca 0.69 -1.33 0.05 0.00 1.31 0.00 0.00 55.95 56.66 1nhn s SER 31 Cb -0.03 -0.12 0.35 0.00 0.21 0.00 0.00 66.02 66.43 1nhn s SER 31 CO 0.47 -0.64 1.20 0.00 0.41 0.00 0.00 173.24 174.68 1nhn n ILE 32 N -1.21 1.53 0.00 1.44 3.06 -1.26 -1.51 119.36 121.41 1nhn n ILE 32 Ca -0.07 -0.72 0.00 0.00 -2.50 0.00 0.00 62.75 59.46 1nhn n ILE 32 Cb 0.66 -0.54 0.00 0.00 0.54 0.00 0.00 39.64 40.30 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 0.09 0.00 0.21 4.50 0.00 -1.26 -4.39 105.19 104.34 1nhn n GLY 33 Ca 0.18 0.00 -0.26 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 -1.66 1.81 0.12 1.61 2.03 -1.02 -2.09 116.55 117.35 1nhn n ASP 34 Ca 0.00 0.26 0.06 0.00 0.52 0.00 0.00 54.79 55.62 1nhn n ASP 34 Cb 0.31 -0.70 0.51 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.80 1.07 -0.04 5.18 3.04 -1.59 0.34 116.25 123.44 1nhn h VAL 35 Ca -0.63 -0.17 -0.22 0.00 -1.01 0.00 0.00 66.70 64.67 1nhn h VAL 35 Cb 1.59 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1nhn h VAL 35 CO -0.35 0.07 -0.88 0.00 -1.01 0.00 0.00 177.57 175.39 1nhn h ALA 36 N 1.84 0.36 -0.24 3.17 0.00 -1.73 -2.58 119.26 120.08 1nhn h ALA 36 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1nhn h ALA 36 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1nhn h ALA 36 CO -0.01 0.76 0.13 -0.22 0.00 0.00 0.00 179.25 179.91 1nhn h LYS 37 N 0.33 0.27 0.47 0.00 1.63 0.15 0.28 116.57 119.70 1nhn h LYS 37 Ca -0.07 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1nhn h LYS 37 Cb 1.51 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 33.06 1nhn h LYS 37 CO 0.16 0.18 -0.48 0.87 -3.45 0.00 0.00 179.45 176.73 1nhn h LYS 38 N 0.28 -0.92 -0.45 1.90 1.57 -1.00 -2.09 116.57 115.85 1nhn h LYS 38 Ca 0.10 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1nhn h LYS 38 Cb 0.01 0.21 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 1nhn h LYS 38 CO -0.05 -0.61 -0.22 -0.07 -0.57 0.00 0.00 179.45 177.93 1nhn h LEU 39 N -0.95 -0.75 -0.64 2.94 3.38 -1.28 0.90 115.31 118.91 1nhn h LEU 39 Ca -0.06 0.17 0.26 0.00 0.09 0.00 0.00 57.88 58.34 1nhn h LEU 39 Cb 0.82 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 1nhn h LEU 39 CO -0.06 -0.24 0.36 0.61 0.09 0.00 0.00 178.44 179.19 1nhn n GLY 40 N -1.40 -0.47 0.22 0.83 0.00 0.96 -1.20 105.19 104.14 1nhn n GLY 40 Ca 0.03 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.32 0.53 -0.22 1.61 1.02 -0.46 -4.56 120.64 114.23 1nhn n GLU 41 Ca 0.23 0.21 0.31 0.00 -0.02 0.00 0.00 57.16 57.89 1nhn n GLU 41 Cb 0.81 -1.38 0.73 0.00 -0.02 0.00 0.00 31.44 31.58 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 -0.72 0.00 -0.75 3.49 2.86 0.61 0.03 114.93 120.45 1nhn h MET 42 Ca -0.60 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.03 1nhn h MET 42 Cb 1.59 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 1nhn h MET 42 CO -0.32 0.00 0.45 2.35 1.06 0.00 0.00 176.91 180.44 1nhn h TRP 43 N 0.00 0.98 -0.30 -0.22 2.91 -1.54 0.23 115.95 118.00 1nhn h TRP 43 Ca 0.47 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.37 1nhn h TRP 43 Cb 1.96 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 30.28 1nhn h TRP 43 CO 0.00 0.65 -0.30 -0.91 -1.03 0.00 0.00 178.44 176.85 1nhn h ASN 44 N 1.03 0.66 -0.64 2.65 2.35 -1.26 -2.28 115.58 118.09 1nhn h ASN 44 Ca 0.27 -0.26 -0.42 0.00 -0.55 0.00 0.00 56.30 55.34 1nhn h ASN 44 Cb -0.04 -0.18 -0.19 0.00 0.05 0.00 0.00 38.32 37.96 1nhn h ASN 44 CO -0.05 0.92 0.54 0.59 -1.65 0.00 0.00 177.43 177.79 1nhn n ASN 45 N -4.08 6.39 0.00 5.81 3.02 -0.08 -4.90 115.26 121.42 1nhn n ASN 45 Ca -0.01 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1nhn n ASN 45 Cb 0.46 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 -0.12 0.00 -3.47 3.41 5.66 -0.32 -4.90 114.28 114.54 1nhn n THR 46 Ca 0.40 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.97 1nhn n THR 46 Cb 0.69 -0.83 -0.08 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.15 3.47 0.41 1.79 0.00 -1.26 -4.94 121.76 119.08 1nhn s ALA 47 Ca 0.00 -2.33 0.34 0.00 0.00 0.00 0.00 51.96 49.97 1nhn s ALA 47 Cb 0.00 -2.95 1.33 0.00 0.00 0.00 0.00 23.12 21.50 1nhn s ALA 47 CO 0.00 -1.82 1.29 0.00 0.00 0.00 0.00 175.76 175.23 1nhn n ALA 48 N 5.07 1.33 0.25 0.00 0.00 -1.26 0.64 120.51 126.55 1nhn n ALA 48 Ca -0.11 0.64 0.15 0.00 0.00 0.00 0.00 53.44 54.12 1nhn n ALA 48 Cb 0.42 -0.91 0.45 0.00 0.00 0.00 0.00 19.45 19.41 1nhn n ALA 48 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nhn h ASP 49 N 0.00 0.00 0.77 0.00 2.03 -2.02 -2.55 116.42 114.65 1nhn h ASP 49 Ca 0.75 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.05 1nhn h ASP 49 Cb 2.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.21 1nhn h ASP 49 CO -0.21 0.01 -0.31 -0.67 -1.03 0.00 0.00 179.24 177.02 1nhn n ASP 50 N -3.10 0.37 -0.03 4.15 2.03 0.21 -3.37 116.55 116.80 1nhn n ASP 50 Ca 0.02 0.10 -0.14 0.00 0.52 0.00 0.00 54.79 55.30 1nhn n ASP 50 Cb 0.41 -0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.14 -0.95 -0.67 1.79 -1.41 -3.27 116.57 112.22 1nhn h LYS 51 Ca 0.00 -0.10 0.13 0.00 -2.18 0.00 0.00 60.65 58.50 1nhn h LYS 51 Cb 0.54 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.06 1nhn h LYS 51 CO 0.00 0.69 -0.43 1.04 -1.08 0.00 0.00 179.45 179.66 1nhn n GLN 52 N -4.68 -0.29 0.20 3.15 3.00 -1.22 -0.18 117.38 117.37 1nhn n GLN 52 Ca -0.08 1.45 -0.15 0.00 -0.01 0.00 0.00 57.00 58.21 1nhn n GLN 52 Cb 0.35 -2.14 -0.07 0.00 0.00 0.00 0.00 30.24 28.38 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 -0.60 -0.62 -1.09 0.13 -1.75 -1.69 132.00 126.38 1nhn h PRO 53 Ca 0.27 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.57 1nhn h PRO 53 Cb 0.51 0.14 -0.10 0.00 0.13 0.00 0.00 31.00 31.67 1nhn h PRO 53 CO -0.92 -0.40 0.05 1.88 -0.23 0.00 0.00 178.00 178.38 1nhn h TYR 54 N -0.62 0.05 0.30 1.56 0.05 -1.23 -1.47 116.97 115.60 1nhn h TYR 54 Ca -0.02 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1nhn h TYR 54 Cb 0.56 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 1nhn h TYR 54 CO -0.17 -0.13 -0.36 0.93 -1.05 0.00 0.00 178.16 177.39 1nhn h GLU 55 N 0.16 -0.64 -1.09 4.88 4.39 -0.30 0.17 114.58 122.15 1nhn h GLU 55 Ca 0.33 0.04 0.31 0.00 0.34 0.00 0.00 59.36 60.39 1nhn h GLU 55 Cb 0.53 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1nhn h GLU 55 CO -0.49 -0.43 0.81 0.87 -1.16 0.00 0.00 179.01 178.61 1nhn h LYS 56 N -0.67 0.00 0.12 2.33 1.79 -0.71 0.12 116.57 119.55 1nhn h LYS 56 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1nhn h LYS 56 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1nhn h LYS 56 CO -0.08 0.00 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.02 1nhn h LYS 57 N 0.00 -0.15 -0.83 3.15 1.63 -0.23 -2.98 116.57 117.15 1nhn h LYS 57 Ca 0.52 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.50 1nhn h LYS 57 Cb 2.14 0.03 -0.16 0.00 -0.60 0.00 0.00 32.23 33.65 1nhn h LYS 57 CO -0.01 -0.10 -0.15 0.00 -3.45 0.00 0.00 179.45 175.74 1nhn h ALA 58 N -1.42 0.65 -0.03 5.00 0.00 0.17 -0.01 119.26 123.63 1nhn h ALA 58 Ca -0.02 0.31 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1nhn h ALA 58 Cb 0.12 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1nhn h ALA 58 CO 0.03 -0.42 -0.30 0.00 0.00 0.00 0.00 179.25 178.55 1nhn h ALA 59 N 1.82 -0.41 -0.94 0.00 0.00 -0.93 0.90 119.26 119.70 1nhn h ALA 59 Ca 0.42 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.61 1nhn h ALA 59 Cb 0.69 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1nhn h ALA 59 CO -0.83 -0.80 0.35 -0.22 0.00 0.00 0.00 179.25 177.74 1nhn h LYS 60 N -0.43 0.19 0.03 0.00 3.64 -0.83 0.15 116.57 119.32 1nhn h LYS 60 Ca 0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1nhn h LYS 60 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1nhn h LYS 60 CO -0.27 0.12 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.95 1nhn h LEU 61 N 0.19 -0.04 -0.85 5.20 3.38 -1.14 -3.01 115.31 119.05 1nhn h LEU 61 Ca 0.65 -0.66 0.20 0.00 0.09 0.00 0.00 57.88 58.16 1nhn h LEU 61 Cb 1.43 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 42.07 1nhn h LEU 61 CO -0.69 0.73 0.32 0.11 0.09 0.00 0.00 178.44 179.00 1nhn h LYS 62 N -0.90 0.34 0.23 1.13 1.79 0.05 -1.83 116.57 117.37 1nhn h LYS 62 Ca -0.00 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1nhn h LYS 62 Cb 0.70 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1nhn h LYS 62 CO 0.01 0.22 -0.19 1.49 -1.08 0.00 0.00 179.45 179.90 1nhn h GLU 63 N 0.35 -0.39 -0.84 3.15 4.81 -0.82 -0.22 114.58 120.61 1nhn h GLU 63 Ca 0.52 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.97 1nhn h GLU 63 Cb 0.96 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.31 1nhn h GLU 63 CO -0.54 -0.26 0.31 1.57 -0.73 0.00 0.00 179.01 179.36 1nhn h LYS 64 N -0.41 0.34 0.15 1.92 2.10 -1.24 -2.21 116.57 117.21 1nhn h LYS 64 Ca -0.03 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1nhn h LYS 64 Cb 0.34 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 1nhn h LYS 64 CO -0.00 0.22 -0.15 -0.92 -2.00 0.00 0.00 179.45 176.60 1nhn h TYR 65 N 0.35 -0.41 -1.89 0.07 3.20 -1.12 -0.70 116.97 116.46 1nhn h TYR 65 Ca 0.51 0.00 0.56 0.00 3.14 0.00 0.00 58.73 62.94 1nhn h TYR 65 Cb 0.94 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.28 1nhn h TYR 65 CO -0.19 -0.20 1.35 0.39 -1.64 0.00 0.00 178.16 177.87 1nhn n GLU 66 N -3.21 -0.00 -0.07 1.82 1.02 -0.11 -0.44 120.64 119.64 1nhn n GLU 66 Ca -0.04 1.08 -0.12 0.00 -0.02 0.00 0.00 57.16 58.06 1nhn n GLU 66 Cb 0.14 -2.45 -0.10 0.00 -0.02 0.00 0.00 31.44 29.00 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 -0.24 3.49 6.56 -1.17 -2.81 116.57 122.41 1nhn h LYS 67 Ca 0.92 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 60.58 1nhn h LYS 67 Cb 3.63 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 35.28 1nhn h LYS 67 CO -0.05 0.77 0.19 0.22 -2.06 0.00 0.00 179.45 178.52 1nhn h ASP 68 N -1.00 0.00 -0.14 0.86 3.58 0.76 0.11 116.42 120.58 1nhn h ASP 68 Ca -0.05 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.23 1nhn h ASP 68 Cb 0.84 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.90 1nhn h ASP 68 CO -0.03 0.00 -0.58 -0.29 -2.88 0.00 0.00 179.24 175.46 1nhn h ILE 69 N 0.00 1.33 -0.60 2.25 -0.00 -0.92 -0.54 117.51 119.03 1nhn h ILE 69 Ca 0.11 -1.84 0.01 0.00 -0.00 0.00 0.00 64.86 63.14 1nhn h ILE 69 Cb 0.50 2.06 -0.03 0.00 -0.00 0.00 0.00 36.82 39.35 1nhn h ILE 69 CO -0.00 0.57 0.40 0.00 -0.00 0.00 0.00 178.15 179.11 1nhn h ALA 70 N 0.52 1.60 0.00 0.18 0.00 -0.62 0.33 119.26 121.28 1nhn h ALA 70 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nhn h ALA 70 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nhn h ALA 70 CO 0.12 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1nhn n ALA 71 N -2.45 2.19 0.01 0.00 0.00 0.11 -1.42 120.51 118.94 1nhn n ALA 71 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1nhn n ALA 71 Cb 0.06 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 1nhn n ALA 71 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nhn n TYR 72 N -1.81 0.35 0.01 0.00 9.36 0.55 -4.24 117.16 121.38 1nhn n TYR 72 Ca 0.06 0.11 -0.05 0.00 3.32 0.00 0.00 57.90 61.34 1nhn n TYR 72 Cb 0.34 -0.77 -0.03 0.00 -0.63 0.00 0.00 39.34 38.25 1nhn n TYR 72 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1nhn h ARG 73 N 0.00 -0.14 -0.29 2.98 9.65 -0.17 -3.34 114.38 123.07 1nhn h ARG 73 Ca -0.11 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.89 1nhn h ARG 73 Cb 1.29 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.85 1nhn h ARG 73 CO 0.01 0.07 0.13 0.00 2.80 0.00 0.00 179.97 182.98 1nhn n ALA 74 N -2.72 0.27 -2.39 2.80 0.00 -0.51 -4.30 120.51 113.65 1nhn n ALA 74 Ca -0.04 0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 1nhn n ALA 74 Cb 0.14 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 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 -4.58 1.46 0.00 0.00 2.20 -1.25 -4.72 119.74 112.85 1nhn s LYS 75 Ca -0.03 -1.69 0.00 0.00 -0.36 0.00 0.00 55.97 53.89 1nhn s LYS 75 Cb 0.10 -1.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.19 1nhn s LYS 75 CO 0.23 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 1nhn n GLY 76 N -0.49 3.12 0.12 5.54 0.00 -1.26 -4.82 105.19 107.40 1nhn n GLY 76 Ca -0.07 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 1nhn n GLY 76 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nhn h LYS 77 N 0.00 0.33 -1.81 1.61 3.11 -1.87 -3.31 116.57 114.63 1nhn h LYS 77 Ca 0.00 -0.56 0.55 0.00 -2.81 0.00 0.00 60.65 57.83 1nhn h LYS 77 Cb 0.00 0.21 -0.10 0.00 -1.00 0.00 0.00 32.23 31.34 1nhn h LYS 77 CO 0.00 1.27 1.27 -2.30 -2.81 0.00 0.00 179.45 176.87 1nhn n PRO 78 N -3.97 -0.01 0.00 1.90 -0.02 -1.26 -4.80 135.00 126.84 1nhn n PRO 78 Ca -0.18 1.13 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1nhn n PRO 78 Cb 0.91 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1nhn n PRO 78 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nhn n ASP 79 N -4.16 0.00 -3.46 2.55 2.03 -1.25 -4.84 116.55 107.43 1nhn n ASP 79 Ca 0.43 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.40 1nhn n ASP 79 Cb 1.89 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 42.27 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 0.00 5.14 0.70 -1.67 0.00 -1.26 -5.16 120.51 118.25 1nhn n ALA 80 Ca 0.00 -4.71 0.08 0.00 0.00 0.00 0.00 53.44 48.82 1nhn n ALA 80 Cb 0.00 -1.55 0.07 0.00 0.00 0.00 0.00 19.45 17.97 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50