#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 -0.16 -0.77 5.20 0.00 -1.26 -4.76 120.51 118.75 1nhn n ALA 4 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1nhn n ALA 4 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.09 -0.91 0.00 0.00 -0.02 -1.26 -5.05 135.00 127.66 1nhn n PRO 5 Ca 0.00 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1nhn n PRO 5 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1nhn n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nhn n LYS 6 N -1.07 3.82 -3.12 -0.52 5.02 -1.26 -5.04 118.16 115.99 1nhn n LYS 6 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1nhn n LYS 6 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.55 1nhn n LYS 6 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1nhn s ARG 7 N 1.41 3.31 0.78 1.97 1.70 -1.26 -4.99 118.95 121.87 1nhn s ARG 7 Ca 0.00 -0.35 -0.13 0.00 -0.47 0.00 0.00 55.73 54.78 1nhn s ARG 7 Cb 0.00 -3.94 0.18 0.00 -0.57 0.00 0.00 34.95 30.63 1nhn s ARG 7 CO 0.00 -0.98 0.95 -0.35 -1.08 0.00 0.00 175.30 173.84 1nhn n PRO 8 N 6.22 -1.38 -0.35 3.89 -0.04 -1.26 -5.02 135.00 137.07 1nhn n PRO 8 Ca -0.02 -1.48 -0.11 0.00 -0.04 0.00 0.00 63.50 61.85 1nhn n PRO 8 Cb 0.48 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1nhn n PRO 8 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nhn n PRO 9 N -3.33 0.00 -0.45 0.54 -0.04 -1.26 -4.98 135.00 125.49 1nhn n PRO 9 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1nhn n PRO 9 Cb 0.43 -0.29 0.13 0.00 -0.04 0.00 0.00 33.50 33.74 1nhn n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1nhn n SER 10 N 0.77 1.66 0.00 3.54 7.64 -1.26 -4.81 113.62 121.16 1nhn n SER 10 Ca 0.02 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1nhn n SER 10 Cb 0.14 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.93 0.00 0.13 -0.43 0.00 -1.26 -4.51 120.51 113.52 1nhn n ALA 11 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1nhn n ALA 11 Cb 0.72 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.40 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 0.10 -0.57 0.00 3.57 -1.93 -3.15 116.94 114.96 1nhn h PHE 12 Ca 0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1nhn h PHE 12 Cb 0.00 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1nhn h PHE 12 CO 0.00 0.57 0.29 0.35 -2.23 0.00 0.00 178.31 177.29 1nhn h PHE 13 N 0.07 0.80 0.21 0.41 3.04 -1.93 0.13 116.94 119.66 1nhn h PHE 13 Ca 0.00 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.93 1nhn h PHE 13 Cb 0.90 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 1nhn h PHE 13 CO 0.01 0.60 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.40 1nhn h LEU 14 N 0.77 -1.21 -0.65 0.59 -0.00 -1.93 -1.93 115.31 110.95 1nhn h LEU 14 Ca 0.20 0.12 0.14 0.00 -0.00 0.00 0.00 57.88 58.34 1nhn h LEU 14 Cb 0.08 0.44 -0.10 0.00 -0.00 0.00 0.00 40.66 41.08 1nhn h LEU 14 CO -0.03 -0.51 0.09 0.15 -0.00 0.00 0.00 178.44 178.14 1nhn h PHE 15 N -0.71 0.13 -0.35 1.13 3.57 -1.56 -1.95 116.94 117.19 1nhn h PHE 15 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1nhn h PHE 15 Cb 0.70 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 1nhn h PHE 15 CO -0.32 -0.10 -0.29 0.00 -2.23 0.00 0.00 178.31 175.36 1nhn h SER 17 N -0.25 -1.15 -1.20 0.00 0.87 -0.76 0.25 113.55 111.31 1nhn h SER 17 Ca 0.16 0.11 0.40 0.00 -1.23 0.00 0.00 61.79 61.23 1nhn h SER 17 Cb 0.51 0.40 -0.14 0.00 -0.44 0.00 0.00 62.40 62.74 1nhn h SER 17 CO -0.49 -0.48 0.75 -0.33 -0.53 0.00 0.00 176.83 175.75 1nhn h GLU 18 N -0.70 0.13 0.00 2.24 5.08 -1.04 -2.57 114.58 117.71 1nhn h GLU 18 Ca -0.03 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1nhn h GLU 18 Cb 0.64 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1nhn h GLU 18 CO -0.12 0.08 -2.28 0.66 -1.00 0.00 0.00 179.01 176.35 1nhn n TYR 19 N -4.83 0.00 -0.21 4.33 4.02 -0.89 -4.70 117.16 114.88 1nhn n TYR 19 Ca 0.36 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.19 1nhn n TYR 19 Cb 1.30 -0.91 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 1nhn n TYR 19 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1nhn n ARG 20 N -2.74 -0.22 0.00 -0.72 1.74 0.86 -0.29 116.66 115.29 1nhn n ARG 20 Ca -0.31 0.83 0.10 0.00 -0.77 0.00 0.00 57.85 57.69 1nhn n ARG 20 Cb 1.09 -1.22 0.57 0.00 -1.02 0.00 0.00 32.46 31.88 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nhn n PRO 21 N -4.47 0.81 -0.12 5.56 -0.04 -1.26 -0.61 135.00 134.87 1nhn n PRO 21 Ca 0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 1nhn n PRO 21 Cb 0.13 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.87 0.57 -0.04 0.54 4.81 0.61 -2.21 118.16 121.57 1nhn n LYS 22 Ca 0.14 0.40 -0.14 0.00 -0.87 0.00 0.00 58.31 57.84 1nhn n LYS 22 Cb 0.07 -1.60 -0.09 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 1.42 -0.78 3.15 3.07 -1.48 -2.60 117.51 119.30 1nhn h ILE 23 Ca -0.51 -1.60 0.03 0.00 1.55 0.00 0.00 64.86 64.33 1nhn h ILE 23 Cb 1.42 2.26 -0.04 0.00 -0.27 0.00 0.00 36.82 40.19 1nhn h ILE 23 CO -0.31 0.46 0.51 0.50 -1.05 0.00 0.00 178.15 178.26 1nhn h LYS 24 N -0.19 0.96 -0.84 0.16 3.64 -1.06 0.53 116.57 119.78 1nhn h LYS 24 Ca -0.01 -0.06 0.21 0.00 -1.27 0.00 0.00 60.65 59.52 1nhn h LYS 24 Cb 0.86 -0.22 -0.14 0.00 -0.41 0.00 0.00 32.23 32.32 1nhn h LYS 24 CO 0.05 0.63 0.07 0.78 -2.27 0.00 0.00 179.45 178.72 1nhn h GLY 25 N 0.99 1.06 0.56 5.01 0.00 -1.05 0.87 103.07 110.50 1nhn h GLY 25 Ca 0.30 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1nhn h GLY 25 CO -0.08 -0.35 -1.37 -1.84 0.00 0.00 0.00 176.54 172.90 1nhn n GLU 26 N -5.34 0.57 -2.78 4.80 0.28 -0.69 -4.45 120.64 113.04 1nhn n GLU 26 Ca 0.17 -0.02 -0.34 0.00 -0.16 0.00 0.00 57.16 56.82 1nhn n GLU 26 Cb 0.58 -1.67 -0.01 0.00 1.43 0.00 0.00 31.44 31.77 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 -2.40 3.39 0.31 -1.84 8.25 0.18 -4.83 115.22 118.28 1nhn n HIS 27 Ca -0.01 -3.25 0.00 0.00 -0.26 0.00 0.00 57.72 54.20 1nhn n HIS 27 Cb 0.54 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 -0.16 0.96 0.00 -0.41 -0.04 -0.47 -2.20 135.00 132.69 1nhn n PRO 28 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1nhn n PRO 28 Cb 0.32 -1.02 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 0.97 0.18 4.01 0.55 0.00 -1.26 -5.06 105.19 104.58 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 -2.39 2.96 0.47 0.99 1.43 -0.94 -5.13 118.68 116.08 1nhn s LEU 30 Ca 0.00 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1nhn s LEU 30 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1nhn s LEU 30 CO 0.00 -1.82 0.03 -0.55 0.23 0.00 0.00 176.35 174.24 1nhn s SER 31 N -4.77 4.08 -0.11 2.29 0.15 -1.26 -4.97 113.70 109.11 1nhn s SER 31 Ca 0.66 -1.50 0.06 0.00 0.70 0.00 0.00 55.95 55.88 1nhn s SER 31 Cb -0.05 0.13 0.38 0.00 -1.71 0.00 0.00 66.02 64.77 1nhn s SER 31 CO 0.44 -0.70 1.08 0.00 1.20 0.00 0.00 173.24 175.25 1nhn n ILE 32 N -1.18 1.28 -0.01 6.45 3.06 -1.26 -1.62 119.36 126.07 1nhn n ILE 32 Ca -0.12 -0.64 -0.01 0.00 -2.50 0.00 0.00 62.75 59.47 1nhn n ILE 32 Cb 0.67 -0.40 -0.01 0.00 0.54 0.00 0.00 39.64 40.43 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 -0.08 0.13 4.50 0.00 -1.26 -4.37 105.19 104.40 1nhn n GLY 33 Ca 0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.20 1.96 0.22 1.61 2.03 -1.06 -2.74 116.55 116.37 1nhn n ASP 34 Ca -0.03 0.25 0.11 0.00 0.52 0.00 0.00 54.79 55.63 1nhn n ASP 34 Cb 0.56 -0.77 0.66 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.93 -0.28 5.18 3.04 -1.62 0.38 116.25 123.16 1nhn h VAL 35 Ca -0.59 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.01 1nhn h VAL 35 Cb 1.65 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 1nhn h VAL 35 CO -0.28 0.00 -0.15 0.00 -1.01 0.00 0.00 177.57 176.13 1nhn h ALA 36 N 1.95 0.39 -0.75 3.17 0.00 -1.74 -1.98 119.26 120.30 1nhn h ALA 36 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1nhn h ALA 36 Cb 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1nhn h ALA 36 CO -0.00 0.29 0.36 0.87 0.00 0.00 0.00 179.25 180.76 1nhn h LYS 37 N 0.33 1.09 -0.04 0.00 1.79 -0.12 0.24 116.57 119.86 1nhn h LYS 37 Ca 0.06 -0.16 0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1nhn h LYS 37 Cb 0.67 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 1nhn h LYS 37 CO 0.04 0.85 -0.36 -0.22 -1.08 0.00 0.00 179.45 178.68 1nhn h LYS 38 N 1.06 -0.48 -0.31 3.15 1.63 -0.91 0.13 116.57 120.85 1nhn h LYS 38 Ca 0.26 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.15 1nhn h LYS 38 Cb 0.13 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 1nhn h LYS 38 CO -0.03 -0.32 -0.07 -0.07 -3.45 0.00 0.00 179.45 175.51 1nhn h LEU 39 N -0.49 -0.27 -0.71 5.20 3.38 -0.98 -0.56 115.31 120.88 1nhn h LEU 39 Ca 0.06 0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.40 1nhn h LEU 39 Cb 0.60 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.40 1nhn h LEU 39 CO -0.31 -0.10 0.32 0.61 0.09 0.00 0.00 178.44 179.05 1nhn n GLY 40 N -1.25 -0.61 0.09 0.83 0.00 0.80 -0.77 105.19 104.27 1nhn n GLY 40 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 1nhn n GLY 40 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nhn h GLU 41 N 0.00 0.00 -1.07 1.61 5.08 -0.07 -3.39 114.58 116.74 1nhn h GLU 41 Ca 0.57 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 59.24 1nhn h GLU 41 Cb 1.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 1nhn h GLU 41 CO -0.57 0.48 0.76 0.52 -1.00 0.00 0.00 179.01 179.21 1nhn h MET 42 N -1.00 0.04 0.01 2.33 2.86 0.52 -2.15 114.93 117.55 1nhn h MET 42 Ca -0.17 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1nhn h MET 42 Cb 0.89 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1nhn h MET 42 CO -0.10 0.03 -0.01 2.35 1.06 0.00 0.00 176.91 180.24 1nhn h TRP 43 N 0.04 -0.02 0.00 -0.22 2.91 -1.14 -2.26 115.95 115.26 1nhn h TRP 43 Ca 0.52 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.54 1nhn h TRP 43 Cb 1.99 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 30.65 1nhn h TRP 43 CO -0.00 0.16 0.00 -2.95 -1.03 0.00 0.00 178.44 174.62 1nhn h ASN 44 N -0.19 0.00 -0.27 2.65 7.08 -1.58 -1.77 115.58 121.50 1nhn h ASN 44 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1nhn h ASN 44 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.42 1nhn h ASN 44 CO 0.00 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.94 1nhn n ASN 45 N -2.70 2.85 -0.57 6.14 3.02 -0.86 -4.84 115.26 118.29 1nhn n ASN 45 Ca 0.01 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1nhn n ASN 45 Cb 0.23 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.32 0.00 -0.39 3.41 5.66 -0.67 -5.00 114.28 117.61 1nhn n THR 46 Ca 0.12 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.20 1nhn n THR 46 Cb 0.59 0.00 0.25 0.00 -1.55 0.00 0.00 70.33 69.62 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 2.47 -0.65 1.79 0.00 -1.26 -4.95 120.51 114.92 1nhn n ALA 47 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 53.44 52.04 1nhn n ALA 47 Cb 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.81 -0.01 0.00 0.00 0.00 -1.26 -4.20 120.51 115.85 1nhn n ALA 48 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nhn n ALA 48 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 1.61 0.61 -0.58 0.00 8.00 -1.26 -4.68 116.55 120.24 1nhn n ASP 49 Ca -0.01 -0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.44 1nhn n ASP 49 Cb 0.04 0.47 0.21 0.00 -0.02 0.00 0.00 41.12 41.81 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nhn n ASP 50 N -0.53 2.02 0.11 -2.24 9.92 -1.26 -3.96 116.55 120.61 1nhn n ASP 50 Ca 0.00 -1.53 -0.20 0.00 -0.53 0.00 0.00 54.79 52.53 1nhn n ASP 50 Cb 0.00 0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.50 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1nhn h LYS 51 N 2.86 0.38 -0.25 -1.24 6.56 -1.92 -3.38 116.57 119.58 1nhn h LYS 51 Ca 0.00 -0.65 0.04 0.00 -1.06 0.00 0.00 60.65 58.98 1nhn h LYS 51 Cb 0.73 0.24 -0.04 0.00 -0.57 0.00 0.00 32.23 32.59 1nhn h LYS 51 CO 0.00 1.29 -0.10 1.04 -2.06 0.00 0.00 179.45 179.62 1nhn n GLN 52 N -3.59 -0.06 0.49 3.15 3.00 -1.25 0.11 117.38 119.22 1nhn n GLN 52 Ca -0.14 0.39 -0.20 0.00 -0.01 0.00 0.00 57.00 57.03 1nhn n GLN 52 Cb 1.06 -0.57 -0.10 0.00 0.00 0.00 0.00 30.24 30.63 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 -1.23 -0.89 -1.09 0.13 -1.88 -1.10 132.00 125.93 1nhn h PRO 53 Ca 0.09 0.08 0.21 0.00 -0.87 0.00 0.00 66.00 65.51 1nhn h PRO 53 Cb 0.15 0.28 -0.16 0.00 0.13 0.00 0.00 31.00 31.39 1nhn h PRO 53 CO -0.25 -0.82 -0.05 1.88 -0.23 0.00 0.00 178.00 178.53 1nhn h TYR 54 N -1.27 -0.17 0.29 1.56 -1.99 0.50 -0.64 116.97 115.25 1nhn h TYR 54 Ca -0.12 0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1nhn h TYR 54 Cb 0.99 0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.94 1nhn h TYR 54 CO -0.03 -0.36 -0.16 0.93 -0.00 0.00 0.00 178.16 178.54 1nhn h GLU 55 N 0.04 -0.40 -1.71 4.88 4.39 -0.49 -0.54 114.58 120.75 1nhn h GLU 55 Ca 0.49 0.03 0.53 0.00 0.34 0.00 0.00 59.36 60.75 1nhn h GLU 55 Cb 0.90 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.54 1nhn h GLU 55 CO -0.85 -0.27 1.18 1.63 -1.16 0.00 0.00 179.01 179.55 1nhn n LYS 56 N -3.26 -0.02 -0.00 2.33 4.76 -0.32 0.14 118.16 121.78 1nhn n LYS 56 Ca -0.05 1.17 -0.00 0.00 -2.87 0.00 0.00 58.31 56.56 1nhn n LYS 56 Cb 0.17 -2.51 -0.00 0.00 -1.84 0.00 0.00 35.03 30.85 1nhn n LYS 56 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1nhn h LYS 57 N 0.00 -0.01 -0.89 1.97 1.79 -0.89 -2.94 116.57 115.60 1nhn h LYS 57 Ca 0.92 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 59.52 1nhn h LYS 57 Cb 3.37 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 33.93 1nhn h LYS 57 CO -0.23 -0.00 0.51 0.00 -1.08 0.00 0.00 179.45 178.64 1nhn h ALA 58 N -1.86 1.33 -0.18 3.86 0.00 -0.43 -1.73 119.26 120.24 1nhn h ALA 58 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nhn h ALA 58 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1nhn h ALA 58 CO 0.00 0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.37 1nhn h ALA 59 N 1.53 0.21 -0.38 0.00 0.00 -0.48 -0.95 119.26 119.18 1nhn h ALA 59 Ca 0.46 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1nhn h ALA 59 Cb 0.55 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1nhn h ALA 59 CO -0.31 -0.35 0.10 -0.22 0.00 0.00 0.00 179.25 178.47 1nhn h LYS 60 N 0.17 0.23 0.27 0.00 3.64 -1.14 -0.11 116.57 119.62 1nhn h LYS 60 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1nhn h LYS 60 Cb 0.03 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1nhn h LYS 60 CO -0.06 0.15 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.07 1nhn h LEU 61 N 0.23 -0.30 -0.63 5.20 3.38 -1.03 -0.63 115.31 121.54 1nhn h LEU 61 Ca 0.18 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1nhn h LEU 61 Cb 0.19 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1nhn h LEU 61 CO -0.21 -0.17 0.24 0.11 0.09 0.00 0.00 178.44 178.49 1nhn h LYS 62 N -0.41 0.40 0.60 1.13 1.57 -0.93 -1.67 116.57 117.26 1nhn h LYS 62 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1nhn h LYS 62 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1nhn h LYS 62 CO 0.06 0.27 -0.50 1.49 -0.57 0.00 0.00 179.45 180.20 1nhn h GLU 63 N 0.42 -1.03 -0.52 3.15 4.81 -0.87 -1.26 114.58 119.28 1nhn h GLU 63 Ca 0.32 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.71 1nhn h GLU 63 Cb 0.40 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 29.91 1nhn h GLU 63 CO -0.32 -0.69 -0.37 -0.22 -0.73 0.00 0.00 179.01 176.69 1nhn h LYS 64 N -1.07 -0.21 -0.09 1.92 3.64 -0.65 -2.34 116.57 117.77 1nhn h LYS 64 Ca -0.08 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1nhn h LYS 64 Cb 0.90 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1nhn h LYS 64 CO -0.01 -0.14 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.00 1nhn h TYR 65 N -0.22 -0.35 -1.57 1.91 3.20 -1.08 0.38 116.97 119.24 1nhn h TYR 65 Ca 0.19 0.02 0.49 0.00 3.14 0.00 0.00 58.73 62.57 1nhn h TYR 65 Cb 0.56 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.89 1nhn h TYR 65 CO -0.63 -0.10 1.09 0.39 -1.64 0.00 0.00 178.16 177.27 1nhn n GLU 66 N -3.26 -0.02 -0.02 1.82 -0.58 -0.50 -0.26 120.64 117.83 1nhn n GLU 66 Ca -0.01 1.07 -0.21 0.00 -0.42 0.00 0.00 57.16 57.59 1nhn n GLU 66 Cb 0.07 -2.29 -0.13 0.00 -0.57 0.00 0.00 31.44 28.52 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 0.19 -0.03 3.49 6.56 -0.94 -3.00 116.57 122.84 1nhn h LYS 67 Ca 0.84 -0.32 -0.01 0.00 -1.06 0.00 0.00 60.65 60.10 1nhn h LYS 67 Cb 3.09 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 34.86 1nhn h LYS 67 CO -0.20 1.15 -0.02 0.22 -2.06 0.00 0.00 179.45 178.54 1nhn h ASP 68 N -0.45 0.03 -0.04 0.86 3.58 0.13 0.29 116.42 120.83 1nhn h ASP 68 Ca -0.30 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.12 1nhn h ASP 68 Cb 1.65 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1nhn h ASP 68 CO 0.01 0.06 -0.11 -0.29 -2.88 0.00 0.00 179.24 176.04 1nhn h ILE 69 N 0.04 1.46 -0.11 2.25 -0.00 -0.74 0.15 117.51 120.55 1nhn h ILE 69 Ca 0.01 -1.51 0.03 0.00 -0.00 0.00 0.00 64.86 63.39 1nhn h ILE 69 Cb 0.07 2.37 -0.00 0.00 -0.00 0.00 0.00 36.82 39.25 1nhn h ILE 69 CO 0.00 0.41 0.10 0.00 -0.00 0.00 0.00 178.15 178.66 1nhn h ALA 70 N 0.42 1.89 -0.02 0.18 0.00 -1.09 0.26 119.26 120.90 1nhn h ALA 70 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nhn h ALA 70 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nhn h ALA 70 CO 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.11 1nhn n ALA 71 N -2.44 2.51 -0.06 0.00 0.00 0.90 -2.80 120.51 118.62 1nhn n ALA 71 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.79 1nhn n ALA 71 Cb 0.21 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 0.87 0.00 -0.09 0.00 9.36 0.01 -4.41 117.16 122.89 1nhn n TYR 72 Ca 0.16 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.20 1nhn n TYR 72 Cb 0.50 -0.58 -0.12 0.00 -0.63 0.00 0.00 39.34 38.51 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 0.00 0.00 2.98 2.43 -1.18 -3.34 114.38 115.27 1nhn h ARG 73 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1nhn h ARG 73 Cb 1.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1nhn h ARG 73 CO 0.02 0.96 0.29 0.00 -1.51 0.00 0.00 179.97 179.72 1nhn h ALA 74 N -0.30 1.25 -1.06 2.80 0.00 -1.72 -3.42 119.26 116.81 1nhn h ALA 74 Ca -0.18 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.24 1nhn h ALA 74 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nhn h ALA 74 CO -0.11 -0.25 -0.23 0.21 0.00 0.00 0.00 179.25 178.88 1nhn s LYS 75 N -3.74 2.48 0.00 0.00 2.20 -1.25 -4.71 119.74 114.71 1nhn s LYS 75 Ca -0.03 -1.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.00 1nhn s LYS 75 Cb 0.07 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1nhn s LYS 75 CO 0.21 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1nhn n GLY 76 N -1.93 1.06 3.22 5.54 0.00 -1.26 -4.97 105.19 106.85 1nhn n GLY 76 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1nhn n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nhn s LYS 77 N 0.00 2.57 -0.80 1.61 1.02 -1.26 -5.02 119.74 117.86 1nhn s LYS 77 Ca 0.00 -1.83 -0.25 0.00 0.02 0.00 0.00 55.97 53.91 1nhn s LYS 77 Cb 0.00 -3.97 -0.07 0.00 -0.52 0.00 0.00 37.83 33.27 1nhn s LYS 77 CO 0.00 -1.21 2.11 -1.25 -0.92 0.00 0.00 175.35 174.08 1nhn s PRO 78 N 1.26 2.23 -0.39 -1.68 0.04 -1.26 -4.14 135.00 131.07 1nhn s PRO 78 Ca 0.07 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 1nhn s PRO 78 Cb -0.26 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1nhn s PRO 78 CO -0.01 -3.63 0.27 -0.25 0.04 0.00 0.00 177.00 173.42 1nhn n ASP 79 N 15.44 -2.05 -2.43 6.66 8.00 -1.26 -2.67 116.55 138.24 1nhn n ASP 79 Ca 0.40 -0.45 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 1nhn n ASP 79 Cb 0.47 -0.69 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nhn n ALA 80 N -1.61 -1.65 0.82 2.24 0.00 -1.26 -5.28 120.51 113.77 1nhn n ALA 80 Ca -0.13 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1nhn n ALA 80 Cb 0.30 -0.79 0.08 0.00 0.00 0.00 0.00 19.45 19.04 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50