#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 -0.99 -0.58 5.20 0.00 -1.26 -4.87 120.51 118.01 1nhn n ALA 4 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1nhn n ALA 4 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1nhn n ALA 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nhn n PRO 5 N 1.47 -1.64 -2.27 0.00 -0.04 -1.26 -4.75 135.00 126.51 1nhn n PRO 5 Ca 0.00 -0.49 -0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1nhn n PRO 5 Cb 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1nhn n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nhn n LYS 6 N -0.60 -0.66 -0.10 0.54 5.02 -1.26 -5.04 118.16 116.06 1nhn n LYS 6 Ca 0.05 1.00 -0.14 0.00 -2.02 0.00 0.00 58.31 57.20 1nhn n LYS 6 Cb 0.21 -3.62 -0.05 0.00 -0.02 0.00 0.00 35.03 31.54 1nhn n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1nhn n ARG 7 N -1.37 0.52 -1.67 1.97 3.00 -1.26 -5.05 116.66 112.80 1nhn n ARG 7 Ca 0.00 0.36 -0.23 0.00 -0.00 0.00 0.00 57.85 57.99 1nhn n ARG 7 Cb 0.50 -1.56 0.15 0.00 0.00 0.00 0.00 32.46 31.55 1nhn n ARG 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1nhn n PRO 8 N -4.46 -0.82 -0.86 -0.14 -0.04 -1.26 -5.03 135.00 122.39 1nhn n PRO 8 Ca -0.22 -1.77 -0.31 0.00 -0.04 0.00 0.00 63.50 61.15 1nhn n PRO 8 Cb 0.54 -0.98 0.03 0.00 -0.04 0.00 0.00 33.50 33.05 1nhn n PRO 8 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1nhn n PRO 9 N -3.10 0.00 -0.20 0.54 -0.02 -1.26 -4.92 135.00 126.03 1nhn n PRO 9 Ca 0.13 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.67 1nhn n PRO 9 Cb 0.47 -0.86 0.07 0.00 -0.02 0.00 0.00 33.50 33.16 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 3.00 1.40 0.00 2.55 2.88 -1.26 -4.71 113.62 117.47 1nhn n SER 10 Ca -0.02 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1nhn n SER 10 Cb 0.49 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.79 0.00 0.17 -1.46 0.00 -1.26 -4.49 120.51 112.69 1nhn n ALA 11 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1nhn n ALA 11 Cb 0.61 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.26 0.00 3.57 -1.93 -3.16 116.94 115.16 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 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1nhn h PHE 12 CO 0.00 0.36 0.05 0.35 -2.23 0.00 0.00 178.31 176.84 1nhn h PHE 13 N 0.00 0.45 0.10 0.41 3.57 -1.93 0.17 116.94 119.71 1nhn h PHE 13 Ca -0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1nhn h PHE 13 Cb 1.14 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1nhn h PHE 13 CO 0.00 0.53 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.19 1nhn h LEU 14 N 0.24 -1.03 -0.66 0.59 -0.00 -1.93 -1.77 115.31 110.75 1nhn h LEU 14 Ca 0.08 0.12 0.12 0.00 -0.00 0.00 0.00 57.88 58.20 1nhn h LEU 14 Cb 0.32 0.39 -0.09 0.00 -0.00 0.00 0.00 40.66 41.28 1nhn h LEU 14 CO 0.00 -0.43 0.21 0.15 -0.00 0.00 0.00 178.44 178.37 1nhn h PHE 15 N -0.57 0.35 0.28 1.13 3.57 -1.50 -2.59 116.94 117.61 1nhn h PHE 15 Ca 0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1nhn h PHE 15 Cb 0.61 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1nhn h PHE 15 CO -0.32 0.03 -0.43 0.00 -2.23 0.00 0.00 178.31 175.36 1nhn h SER 17 N -0.77 -1.41 -0.73 0.00 0.87 -0.95 0.16 113.55 110.73 1nhn h SER 17 Ca -0.01 0.21 0.15 0.00 -1.23 0.00 0.00 61.79 60.91 1nhn h SER 17 Cb 0.73 0.62 -0.05 0.00 -0.44 0.00 0.00 62.40 63.26 1nhn h SER 17 CO -0.15 -0.17 0.49 -0.33 -0.53 0.00 0.00 176.83 176.14 1nhn h GLU 18 N -0.04 0.34 0.00 2.24 5.08 -1.48 -3.31 114.58 117.41 1nhn h GLU 18 Ca 0.10 -0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 58.09 1nhn h GLU 18 Cb 0.29 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1nhn h GLU 18 CO -0.59 0.22 -2.30 0.66 -1.00 0.00 0.00 179.01 176.00 1nhn n TYR 19 N -4.46 0.00 -0.37 4.33 4.01 -0.72 -4.63 117.16 115.33 1nhn n TYR 19 Ca 0.14 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1nhn n TYR 19 Cb 0.55 -0.87 -0.03 0.00 -0.31 0.00 0.00 39.34 38.67 1nhn n TYR 19 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1nhn n ARG 20 N -3.26 -0.32 0.06 -0.72 0.63 0.49 -0.16 116.66 113.39 1nhn n ARG 20 Ca -0.41 1.39 0.07 0.00 -0.92 0.00 0.00 57.85 57.97 1nhn n ARG 20 Cb 0.92 -2.05 0.31 0.00 0.45 0.00 0.00 32.46 32.09 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 -5.23 0.07 -0.10 -0.14 -0.04 -1.26 -0.58 135.00 127.72 1nhn n PRO 21 Ca 0.05 0.46 -0.24 0.00 -0.04 0.00 0.00 63.50 63.74 1nhn n PRO 21 Cb 0.29 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1nhn n PRO 21 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nhn n LYS 22 N -1.82 0.63 -0.20 0.54 4.01 0.78 -2.34 118.16 119.76 1nhn n LYS 22 Ca 0.01 0.32 -0.09 0.00 -0.51 0.00 0.00 58.31 58.04 1nhn n LYS 22 Cb 0.09 -1.61 0.02 0.00 -0.51 0.00 0.00 35.03 33.02 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 1nhn h ILE 23 N -0.59 1.26 -0.86 -0.18 3.07 -1.17 -0.70 117.51 118.34 1nhn h ILE 23 Ca -0.53 -1.02 0.00 0.00 1.55 0.00 0.00 64.86 64.86 1nhn h ILE 23 Cb 1.67 0.81 -0.04 0.00 -0.27 0.00 0.00 36.82 38.99 1nhn h ILE 23 CO -0.20 0.37 0.54 0.50 -1.05 0.00 0.00 178.15 178.31 1nhn h LYS 24 N 0.85 1.15 -0.95 0.16 3.64 -1.00 0.62 116.57 121.03 1nhn h LYS 24 Ca 0.17 -0.08 0.28 0.00 -1.27 0.00 0.00 60.65 59.74 1nhn h LYS 24 Cb 0.45 -0.25 -0.14 0.00 -0.41 0.00 0.00 32.23 31.88 1nhn h LYS 24 CO 0.02 0.78 0.44 0.78 -2.27 0.00 0.00 179.45 179.20 1nhn h GLY 25 N 1.18 1.78 0.00 5.01 0.00 -0.73 0.25 103.07 110.56 1nhn h GLY 25 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1nhn h GLY 25 CO -0.06 -0.41 -1.90 -1.84 0.00 0.00 0.00 176.54 172.33 1nhn n GLU 26 N -5.10 0.60 -2.91 4.80 0.28 -0.79 -4.56 120.64 112.96 1nhn n GLU 26 Ca 0.27 -0.18 -0.32 0.00 -0.16 0.00 0.00 57.16 56.77 1nhn n GLU 26 Cb 0.84 -1.51 -0.02 0.00 1.43 0.00 0.00 31.44 32.17 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 -2.18 3.53 -1.00 -1.84 8.25 0.21 -4.73 115.22 117.46 1nhn n HIS 27 Ca -0.03 -3.51 -0.17 0.00 -0.26 0.00 0.00 57.72 53.75 1nhn n HIS 27 Cb 0.54 -0.75 -0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 0.03 1.88 0.00 -0.41 -0.04 -0.53 -3.69 135.00 132.24 1nhn n PRO 28 Ca 0.35 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1nhn n PRO 28 Cb 0.35 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.72 0.00 1.81 0.55 0.00 -1.26 -5.08 105.19 101.92 1nhn n GLY 29 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.77 0.00 -3.41 0.99 -0.00 -1.24 -5.10 117.00 106.47 1nhn n LEU 30 Ca 0.00 -1.10 -0.26 0.00 -0.00 0.00 0.00 56.01 54.65 1nhn n LEU 30 Cb 0.41 -0.23 -0.09 0.00 -0.00 0.00 0.00 43.42 43.51 1nhn n LEU 30 CO 0.00 -0.64 -0.18 -1.20 -0.00 0.00 0.00 177.39 175.37 1nhn n SER 31 N -2.78 1.24 -0.47 1.45 7.64 -1.26 -4.96 113.62 114.47 1nhn n SER 31 Ca 0.08 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1nhn n SER 31 Cb 0.28 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nhn n ILE 32 N 1.75 0.00 0.00 0.44 0.13 -1.26 -4.16 119.36 116.26 1nhn n ILE 32 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.90 1nhn n ILE 32 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.26 1nhn n ILE 32 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1nhn n GLY 33 N 0.00 0.00 0.13 4.50 0.00 -1.26 -4.31 105.19 104.25 1nhn n GLY 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.80 2.00 0.21 1.61 2.03 -1.26 -2.26 116.55 117.07 1nhn n ASP 34 Ca 0.00 -0.02 0.05 0.00 0.52 0.00 0.00 54.79 55.34 1nhn n ASP 34 Cb 0.32 -0.54 0.45 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.13 1.08 0.05 5.18 3.04 -1.89 0.69 116.25 124.27 1nhn h VAL 35 Ca -0.57 -1.02 -0.25 0.00 -1.01 0.00 0.00 66.70 63.85 1nhn h VAL 35 Cb 1.87 1.57 0.01 0.00 -2.01 0.00 0.00 31.29 32.73 1nhn h VAL 35 CO -0.11 0.28 -1.07 0.00 -1.01 0.00 0.00 177.57 175.67 1nhn h ALA 36 N 1.71 0.24 -0.41 3.17 0.00 -1.75 -2.09 119.26 120.14 1nhn h ALA 36 Ca -0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 54.08 1nhn h ALA 36 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1nhn h ALA 36 CO 0.04 0.85 0.04 -0.22 0.00 0.00 0.00 179.25 179.95 1nhn h LYS 37 N 0.19 0.70 0.88 0.00 1.63 -0.70 0.27 116.57 119.55 1nhn h LYS 37 Ca -0.11 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.45 1nhn h LYS 37 Cb 1.73 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 33.30 1nhn h LYS 37 CO 0.18 0.76 -0.42 0.87 -3.45 0.00 0.00 179.45 177.39 1nhn h LYS 38 N 0.54 -1.14 -0.37 1.90 1.57 -0.90 -2.38 116.57 115.79 1nhn h LYS 38 Ca 0.12 0.08 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 1nhn h LYS 38 Cb 0.41 0.26 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1nhn h LYS 38 CO 0.01 -0.76 -0.23 -0.07 -0.57 0.00 0.00 179.45 177.83 1nhn h LEU 39 N -1.26 -0.77 -1.46 2.94 3.38 -1.35 0.18 115.31 116.97 1nhn h LEU 39 Ca -0.12 0.16 0.44 0.00 0.09 0.00 0.00 57.88 58.45 1nhn h LEU 39 Cb 0.91 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 1nhn h LEU 39 CO 0.20 -0.26 1.02 0.61 0.09 0.00 0.00 178.44 180.10 1nhn n GLY 40 N -1.39 -0.77 0.37 0.83 0.00 0.95 -1.34 105.19 103.84 1nhn n GLY 40 Ca 0.01 0.59 -0.18 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.84 0.39 -0.39 1.61 1.02 -0.21 -4.61 120.64 114.62 1nhn n GLU 41 Ca 0.35 0.16 0.32 0.00 -0.02 0.00 0.00 57.16 57.97 1nhn n GLU 41 Cb 1.53 -1.18 0.62 0.00 -0.02 0.00 0.00 31.44 32.39 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 -0.53 0.18 -0.31 3.49 2.86 0.57 0.30 114.93 121.49 1nhn h MET 42 Ca -0.45 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1nhn h MET 42 Cb 1.44 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 1nhn h MET 42 CO -0.24 0.12 0.13 2.35 1.06 0.00 0.00 176.91 180.33 1nhn h TRP 43 N 0.19 0.41 -0.01 -0.22 2.91 -1.60 0.43 115.95 118.06 1nhn h TRP 43 Ca 0.69 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.61 1nhn h TRP 43 Cb 2.16 -0.13 0.01 0.00 -0.51 0.00 0.00 29.16 30.68 1nhn h TRP 43 CO -0.00 0.32 -0.36 -0.91 -1.03 0.00 0.00 178.44 176.47 1nhn h ASN 44 N 0.43 0.33 -0.64 2.65 -0.26 -0.70 -3.14 115.58 114.25 1nhn h ASN 44 Ca 0.11 -0.75 -0.41 0.00 -0.56 0.00 0.00 56.30 54.69 1nhn h ASN 44 Cb 0.07 -0.10 -0.17 0.00 -1.06 0.00 0.00 38.32 37.06 1nhn h ASN 44 CO -0.01 1.04 0.51 0.59 -1.06 0.00 0.00 177.43 178.49 1nhn n ASN 45 N -4.42 6.72 0.00 5.81 3.02 -0.75 -4.86 115.26 120.78 1nhn n ASN 45 Ca -0.10 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1nhn n ASN 45 Cb 0.55 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.47 3.41 5.66 0.14 -4.83 114.28 115.34 1nhn n THR 46 Ca 0.38 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.95 1nhn n THR 46 Cb 0.59 -0.64 -0.09 0.00 -1.55 0.00 0.00 70.33 68.63 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 3.46 0.39 1.79 0.00 -1.26 -4.93 121.76 119.06 1nhn s ALA 47 Ca 0.00 -1.98 0.19 0.00 0.00 0.00 0.00 51.96 50.17 1nhn s ALA 47 Cb 0.00 -2.90 1.14 0.00 0.00 0.00 0.00 23.12 21.36 1nhn s ALA 47 CO 0.00 -1.61 1.72 0.00 0.00 0.00 0.00 175.76 175.87 1nhn h ALA 48 N 8.63 2.25 0.00 0.00 0.00 -1.91 0.53 119.26 128.75 1nhn h ALA 48 Ca -0.27 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nhn h ALA 48 Cb 1.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nhn h ALA 48 CO 0.80 -0.73 0.00 -3.47 0.00 0.00 0.00 179.25 175.85 1nhn n ASP 49 N -4.72 0.30 0.03 0.00 -0.08 -1.26 -1.10 116.55 109.72 1nhn n ASP 49 Ca 0.29 0.58 0.11 0.00 -1.51 0.00 0.00 54.79 54.25 1nhn n ASP 49 Cb 0.98 -0.64 -0.04 0.00 2.34 0.00 0.00 41.12 43.77 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 -1.83 0.53 -0.01 1.67 -0.08 0.18 -3.92 116.55 113.09 1nhn n ASP 50 Ca 0.03 -0.07 -0.17 0.00 -1.51 0.00 0.00 54.79 53.07 1nhn n ASP 50 Cb 0.19 1.03 -0.13 0.00 2.34 0.00 0.00 41.12 44.54 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 0.19 -0.57 -0.67 1.57 -0.77 -3.32 116.57 112.99 1nhn h LYS 51 Ca 0.00 -0.28 0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1nhn h LYS 51 Cb 0.85 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.17 1nhn h LYS 51 CO 0.00 1.10 -0.24 1.04 -0.57 0.00 0.00 179.45 180.78 1nhn n GLN 52 N -4.36 -0.15 0.45 3.15 3.00 -1.07 -0.19 117.38 118.21 1nhn n GLN 52 Ca -0.12 0.87 -0.18 0.00 -0.01 0.00 0.00 57.00 57.57 1nhn n GLN 52 Cb 0.65 -1.30 -0.08 0.00 0.00 0.00 0.00 30.24 29.51 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 -1.10 -0.96 -1.09 0.13 -1.78 -1.28 132.00 125.92 1nhn h PRO 53 Ca 0.19 0.07 0.25 0.00 -0.87 0.00 0.00 66.00 65.64 1nhn h PRO 53 Cb 0.33 0.25 -0.18 0.00 0.13 0.00 0.00 31.00 31.53 1nhn h PRO 53 CO -0.56 -0.73 0.01 1.88 -0.23 0.00 0.00 178.00 178.36 1nhn h TYR 54 N -1.14 -0.08 0.28 1.56 0.05 -0.99 -0.24 116.97 116.41 1nhn h TYR 54 Ca -0.12 0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1nhn h TYR 54 Cb 0.88 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1nhn h TYR 54 CO 0.03 -0.40 -0.13 0.93 -1.05 0.00 0.00 178.16 177.53 1nhn h GLU 55 N 0.03 -0.36 -1.52 4.88 4.39 -0.50 -0.21 114.58 121.29 1nhn h GLU 55 Ca 0.57 0.02 0.48 0.00 0.34 0.00 0.00 59.36 60.77 1nhn h GLU 55 Cb 1.13 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 1nhn h GLU 55 CO -0.89 -0.24 1.02 0.87 -1.16 0.00 0.00 179.01 178.61 1nhn h LYS 56 N -0.37 0.04 0.10 2.33 1.57 0.14 0.25 116.57 120.62 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 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1nhn h LYS 56 CO 0.06 0.02 -0.05 0.87 -0.57 0.00 0.00 179.45 179.79 1nhn h LYS 57 N 0.04 -0.13 -0.93 3.15 1.79 -0.87 -0.88 116.57 118.75 1nhn h LYS 57 Ca 0.86 0.01 0.26 0.00 -2.18 0.00 0.00 60.65 59.60 1nhn h LYS 57 Cb 2.97 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 33.51 1nhn h LYS 57 CO -0.29 -0.09 0.37 0.00 -1.08 0.00 0.00 179.45 178.36 1nhn h ALA 58 N -1.67 1.54 -0.22 3.86 0.00 -0.08 0.16 119.26 122.85 1nhn h ALA 58 Ca -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nhn h ALA 58 Cb 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nhn h ALA 58 CO 0.02 -0.48 0.13 0.00 0.00 0.00 0.00 179.25 178.92 1nhn h ALA 59 N 1.80 0.28 -0.25 0.00 0.00 -0.63 0.02 119.26 120.49 1nhn h ALA 59 Ca 0.62 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1nhn h ALA 59 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1nhn h ALA 59 CO -0.62 -0.21 0.15 -0.22 0.00 0.00 0.00 179.25 178.34 1nhn h LYS 60 N 0.27 0.33 -0.32 0.00 3.64 0.77 0.11 116.57 121.38 1nhn h LYS 60 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1nhn h LYS 60 Cb 0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1nhn h LYS 60 CO -0.01 0.26 0.08 -0.07 -2.27 0.00 0.00 179.45 177.44 1nhn h LEU 61 N 0.31 0.48 -0.54 5.20 3.38 -1.14 -2.89 115.31 120.11 1nhn h LEU 61 Ca 0.09 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 1nhn h LEU 61 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1nhn h LEU 61 CO -0.02 0.58 -0.62 0.07 0.09 0.00 0.00 178.44 178.54 1nhn h LYS 62 N 0.36 0.39 0.11 1.13 2.10 -0.89 -3.07 116.57 116.69 1nhn h LYS 62 Ca 0.10 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1nhn h LYS 62 Cb 0.28 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1nhn h LYS 62 CO -0.00 0.88 -0.21 1.49 -2.00 0.00 0.00 179.45 179.61 1nhn h GLU 63 N 0.29 -0.33 -1.00 0.07 4.81 -0.67 0.19 114.58 117.92 1nhn h GLU 63 Ca -0.01 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.45 1nhn h GLU 63 Cb 1.15 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 30.50 1nhn h GLU 63 CO 0.11 -0.22 0.61 1.57 -0.73 0.00 0.00 179.01 180.34 1nhn h LYS 64 N -0.35 0.68 0.72 1.92 2.10 -1.60 -0.40 116.57 119.64 1nhn h LYS 64 Ca -0.01 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 1nhn h LYS 64 Cb 0.33 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1nhn h LYS 64 CO -0.08 0.45 -0.48 -0.92 -2.00 0.00 0.00 179.45 176.42 1nhn h TYR 65 N 0.70 -1.29 -0.84 0.07 5.03 -1.23 -1.76 116.97 117.66 1nhn h TYR 65 Ca 0.60 -0.01 0.24 0.00 2.58 0.00 0.00 58.73 62.14 1nhn h TYR 65 Cb 1.00 0.47 -0.03 0.00 1.55 0.00 0.00 36.73 39.72 1nhn h TYR 65 CO -0.00 -0.70 1.17 0.39 -1.32 0.00 0.00 178.16 177.70 1nhn n GLU 66 N -5.47 0.02 0.02 1.82 1.02 0.57 0.70 120.64 119.32 1nhn n GLU 66 Ca -0.14 1.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.78 1nhn n GLU 66 Cb 0.48 -2.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.24 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 0.28 0.00 3.49 6.56 -1.12 -2.83 116.57 122.95 1nhn h LYS 67 Ca 0.40 -0.48 -0.04 0.00 -1.06 0.00 0.00 60.65 59.47 1nhn h LYS 67 Cb 2.74 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 34.57 1nhn h LYS 67 CO -0.00 1.23 -0.18 -0.44 -2.06 0.00 0.00 179.45 177.99 1nhn h ASP 68 N -0.16 0.00 0.35 0.86 3.32 0.81 -2.83 116.42 118.77 1nhn h ASP 68 Ca -0.34 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.39 1nhn h ASP 68 Cb 1.88 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.44 1nhn h ASP 68 CO 0.09 0.18 -1.54 -0.29 -1.72 0.00 0.00 179.24 175.96 1nhn h ILE 69 N 0.00 1.18 -0.96 0.35 6.09 -0.62 -2.92 117.51 120.64 1nhn h ILE 69 Ca -0.00 -2.73 0.22 0.00 -1.37 0.00 0.00 64.86 60.97 1nhn h ILE 69 Cb 0.85 2.88 -0.08 0.00 0.47 0.00 0.00 36.82 40.94 1nhn h ILE 69 CO 0.02 0.84 0.62 0.00 -3.07 0.00 0.00 178.15 176.56 1nhn h ALA 70 N 0.30 2.10 -0.20 0.18 0.00 -1.27 0.51 119.26 120.89 1nhn h ALA 70 Ca -0.26 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1nhn h ALA 70 Cb 2.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 1nhn h ALA 70 CO 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 179.25 178.96 1nhn h ALA 71 N 1.62 0.27 -0.95 0.00 0.00 -1.42 0.16 119.26 118.95 1nhn h ALA 71 Ca 0.52 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.33 1nhn h ALA 71 Cb 1.20 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1nhn h ALA 71 CO -0.24 0.07 0.60 -0.92 0.00 0.00 0.00 179.25 178.76 1nhn h TYR 72 N 0.10 0.91 0.00 0.00 3.20 0.13 0.17 116.97 121.48 1nhn h TYR 72 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1nhn h TYR 72 Cb 0.52 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1nhn h TYR 72 CO 0.06 0.28 -0.50 -2.13 -1.64 0.00 0.00 178.16 174.23 1nhn n ARG 73 N -4.62 0.13 0.06 1.82 0.63 -0.28 -3.88 116.66 110.51 1nhn n ARG 73 Ca 0.20 0.04 -0.08 0.00 -0.92 0.00 0.00 57.85 57.09 1nhn n ARG 73 Cb 0.52 -1.58 0.07 0.00 0.45 0.00 0.00 32.46 31.92 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nhn h ALA 74 N 2.79 0.72 0.00 5.13 0.00 0.15 -3.42 119.26 124.62 1nhn h ALA 74 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1nhn h ALA 74 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nhn h ALA 74 CO 0.00 0.75 0.00 1.63 0.00 0.00 0.00 179.25 181.63 1nhn n LYS 75 N -3.86 0.00 -1.06 0.00 4.76 -1.07 -2.39 118.16 114.54 1nhn n LYS 75 Ca -0.03 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 1nhn n LYS 75 Cb 0.66 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.72 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nhn n GLY 76 N 0.00 3.28 2.05 0.72 0.00 -1.26 -1.34 105.19 108.64 1nhn n GLY 76 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 2.00 0.00 0.08 1.61 0.00 -1.00 -4.84 118.16 116.01 1nhn n LYS 77 Ca 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.68 1nhn n LYS 77 Cb 0.79 0.00 0.19 0.00 0.00 0.00 0.00 35.03 36.02 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 0.00 0.27 -5.69 1.64 0.13 -1.81 -3.49 132.00 123.05 1nhn h PRO 78 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1nhn h PRO 78 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1nhn h PRO 78 CO 0.00 0.67 -0.11 -3.47 -0.23 0.00 0.00 178.00 174.85 1nhn n ASP 79 N -4.00 -5.89 -2.48 1.44 2.03 -0.45 -4.53 116.55 102.67 1nhn n ASP 79 Ca -0.02 1.00 -0.07 0.00 0.52 0.00 0.00 54.79 56.23 1nhn n ASP 79 Cb 0.50 -1.82 0.03 0.00 -0.72 0.00 0.00 41.12 39.12 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 2.39 -1.74 -0.67 -1.67 0.00 -1.26 -5.11 120.51 112.46 1nhn n ALA 80 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1nhn n ALA 80 Cb 0.04 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.52 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50