#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 -0.62 -0.92 5.20 0.00 -1.26 -4.85 120.51 118.05 1nhn n ALA 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1nhn n ALA 4 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.38 1.15 -2.12 0.00 -0.02 -1.26 -4.71 135.00 127.66 1nhn n PRO 5 Ca 0.00 -0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.13 1nhn n PRO 5 Cb 0.00 -0.26 -0.05 0.00 -0.02 0.00 0.00 33.50 33.17 1nhn n PRO 5 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1nhn s LYS 6 N -1.00 2.69 0.38 -0.52 3.01 -1.26 -4.95 119.74 118.10 1nhn s LYS 6 Ca 0.03 -0.77 -0.26 0.00 -1.01 0.00 0.00 55.97 53.95 1nhn s LYS 6 Cb -0.00 -5.18 -0.09 0.00 -1.01 0.00 0.00 37.83 31.55 1nhn s LYS 6 CO 0.02 -3.45 1.25 -0.98 0.51 0.00 0.00 175.35 172.71 1nhn s ARG 7 N 6.50 4.10 0.00 1.68 1.04 -1.26 -4.58 118.95 126.43 1nhn s ARG 7 Ca 0.67 2.06 0.00 0.00 -1.04 0.00 0.00 55.73 57.42 1nhn s ARG 7 Cb -0.03 -2.81 0.00 0.00 -2.04 0.00 0.00 34.95 30.06 1nhn s ARG 7 CO 0.04 -0.35 0.00 -2.30 -0.04 0.00 0.00 175.30 172.65 1nhn n PRO 8 N 0.29 0.00 -0.01 3.89 -0.02 -1.26 -4.96 135.00 132.93 1nhn n PRO 8 Ca 0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1nhn n PRO 8 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 1nhn n PRO 8 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1nhn n PRO 9 N 0.00 -1.45 -0.00 0.52 -0.04 -1.26 -5.02 135.00 127.74 1nhn n PRO 9 Ca 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1nhn n PRO 9 Cb 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 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 -2.59 1.37 0.00 3.54 7.64 -1.26 -4.99 113.62 117.33 1nhn n SER 10 Ca 0.00 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1nhn n SER 10 Cb 0.01 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.12 0.00 -0.02 -0.43 0.00 -1.26 -4.54 120.51 114.13 1nhn n ALA 11 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1nhn n ALA 11 Cb 0.09 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.82 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 0.60 -0.73 0.00 3.57 -1.95 -2.86 116.94 115.57 1nhn h PHE 12 Ca 0.00 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1nhn h PHE 12 Cb 0.00 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 1nhn h PHE 12 CO 0.00 0.56 0.42 0.35 -2.23 0.00 0.00 178.31 177.41 1nhn h PHE 13 N 0.55 0.76 0.55 0.41 3.04 -1.94 0.11 116.94 120.43 1nhn h PHE 13 Ca 0.12 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1nhn h PHE 13 Cb 0.32 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1nhn h PHE 13 CO 0.01 0.36 -0.40 -0.07 -2.02 0.00 0.00 178.31 176.19 1nhn h LEU 14 N 0.75 -1.05 -0.84 0.59 -0.00 -1.88 -2.44 115.31 110.45 1nhn h LEU 14 Ca 0.33 0.07 0.19 0.00 -0.00 0.00 0.00 57.88 58.47 1nhn h LEU 14 Cb 0.21 0.33 -0.12 0.00 -0.00 0.00 0.00 40.66 41.08 1nhn h LEU 14 CO -0.19 -0.60 0.33 0.15 -0.00 0.00 0.00 178.44 178.13 1nhn h PHE 15 N -0.93 0.54 0.15 1.13 3.57 -1.50 -1.96 116.94 117.95 1nhn h PHE 15 Ca -0.06 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1nhn h PHE 15 Cb 0.78 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1nhn h PHE 15 CO -0.15 -0.03 -0.41 0.00 -2.23 0.00 0.00 178.31 175.49 1nhn h SER 17 N -0.67 -1.60 -1.03 0.00 0.02 -0.99 0.17 113.55 109.45 1nhn h SER 17 Ca 0.02 0.19 0.33 0.00 -0.84 0.00 0.00 61.79 61.49 1nhn h SER 17 Cb 0.68 0.63 -0.14 0.00 0.14 0.00 0.00 62.40 63.71 1nhn h SER 17 CO -0.22 -0.48 0.60 -0.33 -1.14 0.00 0.00 176.83 175.26 1nhn h GLU 18 N -0.57 0.31 0.00 3.45 4.39 -1.28 -2.88 114.58 117.99 1nhn h GLU 18 Ca 0.04 -0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.35 1nhn h GLU 18 Cb 0.68 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 1nhn h GLU 18 CO -0.42 0.20 -2.39 0.66 -1.16 0.00 0.00 179.01 175.90 1nhn n TYR 19 N -4.99 0.00 -0.21 4.33 4.01 -0.94 -4.66 117.16 114.69 1nhn n TYR 19 Ca 0.32 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.00 1nhn n TYR 19 Cb 1.01 -1.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.99 1nhn n TYR 19 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1nhn n ARG 20 N -2.77 -0.22 0.00 -0.72 1.74 0.56 -0.29 116.66 114.96 1nhn n ARG 20 Ca -0.33 0.86 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 1nhn n ARG 20 Cb 1.15 -1.27 0.49 0.00 -1.02 0.00 0.00 32.46 31.81 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 -4.37 0.32 -0.11 5.56 -0.04 -1.26 -0.89 135.00 134.22 1nhn n PRO 21 Ca 0.01 0.09 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1nhn n PRO 21 Cb 0.13 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.24 0.56 -0.12 0.54 5.02 0.60 -2.49 118.16 121.03 1nhn n LYS 22 Ca 0.10 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1nhn n LYS 22 Cb 0.13 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1nhn h ILE 23 N -1.00 1.20 -0.93 -0.18 3.07 -1.40 -0.23 117.51 118.05 1nhn h ILE 23 Ca -0.38 -0.62 0.22 0.00 1.55 0.00 0.00 64.86 65.64 1nhn h ILE 23 Cb 1.28 0.94 -0.12 0.00 -0.27 0.00 0.00 36.82 38.64 1nhn h ILE 23 CO -0.23 0.22 0.46 0.50 -1.05 0.00 0.00 178.15 178.05 1nhn h LYS 24 N 0.42 0.46 -0.88 0.16 1.63 -1.16 0.80 116.57 118.01 1nhn h LYS 24 Ca 0.12 -0.03 0.24 0.00 -0.85 0.00 0.00 60.65 60.12 1nhn h LYS 24 Cb 0.21 -0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 31.59 1nhn h LYS 24 CO -0.01 0.30 0.20 0.78 -3.45 0.00 0.00 179.45 177.28 1nhn h GLY 25 N 0.47 1.32 0.94 5.01 0.00 -0.72 0.27 103.07 110.36 1nhn h GLY 25 Ca 0.58 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.80 1nhn h GLY 25 CO -0.50 -0.38 -1.30 1.18 0.00 0.00 0.00 176.54 175.54 1nhn n GLU 26 N -5.26 0.62 -2.78 4.80 1.02 0.82 -4.45 120.64 115.40 1nhn n GLU 26 Ca 0.21 0.17 -0.32 0.00 -0.02 0.00 0.00 57.16 57.20 1nhn n GLU 26 Cb 0.68 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1nhn n HIS 27 N -2.79 3.60 1.00 -0.32 8.25 0.24 -4.84 115.22 120.37 1nhn n HIS 27 Ca -0.06 -3.45 0.00 0.00 -0.26 0.00 0.00 57.72 53.94 1nhn n HIS 27 Cb 0.73 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 1.00 0.00 -0.41 -0.04 0.28 -2.49 135.00 133.13 1nhn n PRO 28 Ca 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1nhn n PRO 28 Cb 0.36 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.41 0.84 3.97 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 -0.36 3.05 0.50 0.99 1.43 -1.04 -5.11 118.68 118.15 1nhn s LEU 30 Ca 0.00 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1nhn s LEU 30 Cb 0.00 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1nhn s LEU 30 CO 0.00 -1.56 0.03 -0.44 0.23 0.00 0.00 176.35 174.61 1nhn s SER 31 N -4.58 4.14 -0.12 2.29 0.01 -1.26 -4.96 113.70 109.21 1nhn s SER 31 Ca 0.62 -1.60 0.04 0.00 1.31 0.00 0.00 55.95 56.32 1nhn s SER 31 Cb -0.08 0.41 0.31 0.00 0.21 0.00 0.00 66.02 66.87 1nhn s SER 31 CO 0.42 -0.82 1.12 0.00 0.41 0.00 0.00 173.24 174.37 1nhn n ILE 32 N -1.26 1.36 -0.01 1.44 3.06 -1.26 -1.28 119.36 121.41 1nhn n ILE 32 Ca -0.17 -0.63 -0.01 0.00 -2.50 0.00 0.00 62.75 59.45 1nhn n ILE 32 Cb 0.67 -0.54 -0.01 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 0.12 -0.07 0.25 4.50 0.00 -1.26 -4.39 105.19 104.33 1nhn n GLY 33 Ca 0.15 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 1.75 0.24 1.61 -0.08 -1.07 -2.47 116.55 114.39 1nhn n ASP 34 Ca -0.03 0.23 0.07 0.00 -1.51 0.00 0.00 54.79 53.55 1nhn n ASP 34 Cb 0.55 -0.64 0.57 0.00 2.34 0.00 0.00 41.12 43.94 1nhn n ASP 34 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1nhn h VAL 35 N -0.72 1.06 0.01 5.18 3.04 -1.50 0.13 116.25 123.44 1nhn h VAL 35 Ca -0.58 -0.29 -0.24 0.00 -1.01 0.00 0.00 66.70 64.58 1nhn h VAL 35 Cb 1.56 1.13 0.02 0.00 -2.01 0.00 0.00 31.29 31.99 1nhn h VAL 35 CO -0.32 0.08 -0.95 0.00 -1.01 0.00 0.00 177.57 175.37 1nhn h ALA 36 N 1.91 0.11 -0.73 3.17 0.00 -1.75 -1.72 119.26 120.25 1nhn h ALA 36 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1nhn h ALA 36 Cb 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1nhn h ALA 36 CO 0.01 0.61 0.47 -0.22 0.00 0.00 0.00 179.25 180.12 1nhn h LYS 37 N 0.27 0.96 0.62 0.00 1.63 -0.54 0.26 116.57 119.78 1nhn h LYS 37 Ca -0.12 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 1nhn h LYS 37 Cb 1.62 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 33.04 1nhn h LYS 37 CO 0.19 0.65 -0.30 -0.22 -3.45 0.00 0.00 179.45 176.32 1nhn h LYS 38 N 0.99 -0.81 -0.42 1.90 1.63 -0.86 -1.75 116.57 117.24 1nhn h LYS 38 Ca 0.26 0.06 0.08 0.00 -0.85 0.00 0.00 60.65 60.20 1nhn h LYS 38 Cb -0.10 0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 1nhn h LYS 38 CO -0.06 -0.52 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.33 1nhn h LEU 39 N -0.88 -0.23 -1.04 5.20 3.38 -1.09 0.11 115.31 120.75 1nhn h LEU 39 Ca -0.09 0.11 0.42 0.00 0.09 0.00 0.00 57.88 58.41 1nhn h LEU 39 Cb 0.66 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 1nhn h LEU 39 CO 0.14 -0.08 0.59 0.61 0.09 0.00 0.00 178.44 179.79 1nhn n GLY 40 N -1.29 -0.75 0.10 0.83 0.00 0.88 -1.17 105.19 103.79 1nhn n GLY 40 Ca 0.03 0.79 -0.21 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.08 1.61 4.39 -0.01 -3.39 114.58 117.10 1nhn h GLU 41 Ca 0.84 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.56 1nhn h GLU 41 Cb 2.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.96 1nhn h GLU 41 CO -0.71 1.00 0.12 0.52 -1.16 0.00 0.00 179.01 178.78 1nhn h MET 42 N -0.98 0.00 -0.09 2.33 2.86 0.58 -3.01 114.93 116.62 1nhn h MET 42 Ca -0.30 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1nhn h MET 42 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 1nhn h MET 42 CO -0.18 0.00 0.00 2.35 1.06 0.00 0.00 176.91 180.14 1nhn h TRP 43 N 0.00 0.18 0.00 -0.22 2.91 -1.37 -2.03 115.95 115.42 1nhn h TRP 43 Ca 0.04 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1nhn h TRP 43 Cb 0.27 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 1nhn h TRP 43 CO 0.00 0.42 0.00 0.27 -1.03 0.00 0.00 178.44 178.10 1nhn n ASN 44 N -4.83 0.00 -1.37 2.65 0.23 -1.14 -1.08 115.26 109.72 1nhn n ASN 44 Ca -0.06 -0.23 -0.06 0.00 -0.53 0.00 0.00 54.58 53.70 1nhn n ASN 44 Cb 0.20 -0.20 0.22 0.00 -2.08 0.00 0.00 39.78 37.92 1nhn n ASN 44 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nhn n ASN 45 N -1.20 3.13 0.00 0.53 3.02 -0.80 -4.95 115.26 115.00 1nhn n ASN 45 Ca 0.12 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 1nhn n ASN 45 Cb 0.14 -0.67 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 -0.94 0.00 -3.87 3.41 5.66 -0.24 -4.95 114.28 113.34 1nhn n THR 46 Ca 0.36 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 61.01 1nhn n THR 46 Cb 1.15 -0.47 -0.12 0.00 -1.55 0.00 0.00 70.33 69.34 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 -2.33 3.15 -2.00 1.79 0.00 -1.26 -4.94 121.76 116.16 1nhn s ALA 47 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1nhn s ALA 47 Cb 0.00 -1.97 0.10 0.00 0.00 0.00 0.00 23.12 21.24 1nhn s ALA 47 CO 0.00 -0.32 0.42 0.00 0.00 0.00 0.00 175.76 175.85 1nhn n ALA 48 N 4.59 1.81 0.04 0.00 0.00 -1.26 -0.03 120.51 125.66 1nhn n ALA 48 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1nhn n ALA 48 Cb 0.52 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.59 0.41 -0.60 0.00 2.03 -1.26 -4.51 116.55 112.03 1nhn n ASP 49 Ca 0.01 -0.70 0.06 0.00 0.52 0.00 0.00 54.79 54.68 1nhn n ASP 49 Cb 0.01 0.65 0.11 0.00 -0.72 0.00 0.00 41.12 41.17 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 -0.65 2.56 0.06 1.67 8.00 0.96 -4.26 116.55 124.89 1nhn n ASP 50 Ca 0.00 -1.78 -0.20 0.00 0.71 0.00 0.00 54.79 53.53 1nhn n ASP 50 Cb 0.02 -0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 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 2.28 0.30 -0.76 -1.24 1.57 -1.75 -3.37 116.57 113.61 1nhn h LYS 51 Ca 0.00 -0.52 0.13 0.00 -1.87 0.00 0.00 60.65 58.39 1nhn h LYS 51 Cb 0.64 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 33.01 1nhn h LYS 51 CO 0.00 1.18 -0.34 1.96 -0.57 0.00 0.00 179.45 181.68 1nhn h GLN 52 N 0.08 -0.09 -0.13 3.15 7.50 -1.85 0.93 115.11 124.70 1nhn h GLN 52 Ca -0.31 0.01 0.05 0.00 0.50 0.00 0.00 58.65 58.89 1nhn h GLN 52 Cb 2.06 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 29.54 1nhn h GLN 52 CO 0.16 -0.06 -0.36 -1.00 -1.50 0.00 0.00 178.83 176.07 1nhn h PRO 53 N -0.09 -0.42 -0.95 1.46 0.13 -1.83 0.54 132.00 130.83 1nhn h PRO 53 Ca 0.29 0.03 0.16 0.00 -0.87 0.00 0.00 66.00 65.61 1nhn h PRO 53 Cb 0.57 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 31.70 1nhn h PRO 53 CO -0.81 -0.28 0.56 1.88 -0.23 0.00 0.00 178.00 179.12 1nhn h TYR 54 N -0.44 0.99 0.56 1.56 0.05 -1.31 -0.03 116.97 118.35 1nhn h TYR 54 Ca 0.09 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1nhn h TYR 54 Cb 0.58 -0.30 0.01 0.00 1.01 0.00 0.00 36.73 38.03 1nhn h TYR 54 CO -0.44 0.27 -0.27 0.93 -1.05 0.00 0.00 178.16 177.60 1nhn h GLU 55 N 0.78 -0.72 -0.97 4.88 4.39 0.36 0.89 114.58 124.18 1nhn h GLU 55 Ca 0.52 0.05 0.29 0.00 0.34 0.00 0.00 59.36 60.56 1nhn h GLU 55 Cb 0.71 0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 29.38 1nhn h GLU 55 CO -0.35 -0.44 0.49 0.87 -1.16 0.00 0.00 179.01 178.42 1nhn h LYS 56 N -0.85 0.32 0.60 2.33 1.79 0.35 0.13 116.57 121.24 1nhn h LYS 56 Ca -0.08 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1nhn h LYS 56 Cb 0.61 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1nhn h LYS 56 CO 0.13 0.21 -0.29 0.87 -1.08 0.00 0.00 179.45 179.29 1nhn h LYS 57 N 0.33 -0.78 -0.99 3.15 1.79 -0.53 -1.23 116.57 118.31 1nhn h LYS 57 Ca 0.68 0.05 0.24 0.00 -2.18 0.00 0.00 60.65 59.44 1nhn h LYS 57 Cb 1.47 0.18 -0.19 0.00 -1.58 0.00 0.00 32.23 32.11 1nhn h LYS 57 CO -0.60 -0.52 -0.10 0.00 -1.08 0.00 0.00 179.45 177.15 1nhn h ALA 58 N -1.44 0.94 0.50 3.86 0.00 0.12 0.33 119.26 123.58 1nhn h ALA 58 Ca -0.08 0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1nhn h ALA 58 Cb 0.62 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1nhn h ALA 58 CO 0.14 -0.49 -0.25 0.00 0.00 0.00 0.00 179.25 178.65 1nhn h ALA 59 N 1.99 -0.69 -0.98 0.00 0.00 -0.76 0.12 119.26 118.93 1nhn h ALA 59 Ca 0.54 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.55 1nhn h ALA 59 Cb 1.01 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1nhn h ALA 59 CO -0.97 -0.89 0.56 -0.22 0.00 0.00 0.00 179.25 177.73 1nhn h LYS 60 N -0.69 0.52 -0.01 0.00 3.11 0.85 -0.41 116.57 119.94 1nhn h LYS 60 Ca -0.07 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.73 1nhn h LYS 60 Cb 0.54 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1nhn h LYS 60 CO 0.10 0.35 -0.03 -0.07 -2.81 0.00 0.00 179.45 176.99 1nhn h LEU 61 N 0.54 0.04 -0.64 5.20 3.38 -0.59 -2.30 115.31 120.94 1nhn h LEU 61 Ca 0.63 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1nhn h LEU 61 Cb 1.21 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1nhn h LEU 61 CO -0.49 0.65 0.29 0.07 0.09 0.00 0.00 178.44 179.05 1nhn h LYS 62 N -0.57 0.50 0.06 1.13 5.09 0.05 0.01 116.57 122.84 1nhn h LYS 62 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 60.65 60.72 1nhn h LYS 62 Cb 0.65 -0.11 -0.04 0.00 0.10 0.00 0.00 32.23 32.82 1nhn h LYS 62 CO 0.01 0.33 -0.47 1.49 -2.09 0.00 0.00 179.45 178.72 1nhn h GLU 63 N 0.52 -0.61 -0.57 0.07 4.57 -1.14 0.20 114.58 117.62 1nhn h GLU 63 Ca 0.31 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.64 1nhn h GLU 63 Cb 0.33 0.14 -0.11 0.00 -0.16 0.00 0.00 28.75 28.94 1nhn h GLU 63 CO -0.26 -0.41 -0.29 -0.22 -1.18 0.00 0.00 179.01 176.65 1nhn h LYS 64 N -0.63 -0.14 0.27 1.92 3.64 -0.73 -2.35 116.57 118.55 1nhn h LYS 64 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1nhn h LYS 64 Cb 0.65 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1nhn h LYS 64 CO -0.28 -0.09 -0.45 -0.92 -2.27 0.00 0.00 179.45 175.44 1nhn h TYR 65 N -0.14 -1.24 -1.33 1.91 5.03 -0.29 -2.31 116.97 118.59 1nhn h TYR 65 Ca 0.24 0.02 0.39 0.00 2.58 0.00 0.00 58.73 61.96 1nhn h TYR 65 Cb 0.53 0.51 -0.08 0.00 1.55 0.00 0.00 36.73 39.24 1nhn h TYR 65 CO -0.59 -0.57 0.92 0.93 -1.32 0.00 0.00 178.16 177.52 1nhn h GLU 66 N -0.78 0.10 0.03 1.82 5.08 -0.43 0.26 114.58 120.65 1nhn h GLU 66 Ca -0.01 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 1nhn h GLU 66 Cb 0.74 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1nhn h GLU 66 CO -0.17 0.06 -1.87 0.36 -1.00 0.00 0.00 179.01 176.40 1nhn n LYS 67 N -4.34 0.67 0.14 2.33 0.00 -1.07 -2.69 118.16 113.19 1nhn n LYS 67 Ca 0.32 0.25 0.02 0.00 -0.00 0.00 0.00 58.31 58.90 1nhn n LYS 67 Cb 1.35 -1.74 0.38 0.00 -0.00 0.00 0.00 35.03 35.02 1nhn n LYS 67 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1nhn h ASP 68 N 0.02 0.16 -0.25 -5.58 1.82 -0.48 0.77 116.42 112.88 1nhn h ASP 68 Ca -0.36 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 1nhn h ASP 68 Cb 2.04 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 42.00 1nhn h ASP 68 CO 0.07 0.39 0.04 0.40 -1.61 0.00 0.00 179.24 178.53 1nhn h ILE 69 N 0.16 1.23 0.00 2.25 1.08 -0.66 -0.26 117.51 121.30 1nhn h ILE 69 Ca 0.03 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1nhn h ILE 69 Cb 0.47 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1nhn h ILE 69 CO 0.03 0.25 -0.05 0.00 -0.69 0.00 0.00 178.15 177.69 1nhn h ALA 70 N 0.86 1.72 -0.01 1.87 0.00 -1.10 0.79 119.26 123.38 1nhn h ALA 70 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nhn h ALA 70 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nhn h ALA 70 CO 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 179.25 179.17 1nhn n ALA 71 N -2.44 2.87 -0.09 0.00 0.00 0.18 -2.28 120.51 118.74 1nhn n ALA 71 Ca -0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.86 1nhn n ALA 71 Cb 0.13 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.41 0.00 -0.02 0.00 9.36 0.08 -4.52 117.16 121.64 1nhn n TYR 72 Ca 0.15 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.38 1nhn n TYR 72 Cb 0.34 -0.68 -0.09 0.00 -0.63 0.00 0.00 39.34 38.28 1nhn n TYR 72 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1nhn n ARG 73 N -3.31 1.14 -0.47 2.98 0.63 -0.11 -4.59 116.66 112.94 1nhn n ARG 73 Ca -0.33 -0.06 0.08 0.00 -0.92 0.00 0.00 57.85 56.62 1nhn n ARG 73 Cb 0.81 -1.27 0.29 0.00 0.45 0.00 0.00 32.46 32.74 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nhn n ALA 74 N -2.10 2.84 -2.56 5.13 0.00 -0.97 -4.93 120.51 117.93 1nhn n ALA 74 Ca -0.08 -1.64 -0.15 0.00 0.00 0.00 0.00 53.44 51.57 1nhn n ALA 74 Cb 0.52 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.84 0.79 0.00 0.00 2.20 -1.08 -4.69 119.74 115.13 1nhn s LYS 75 Ca 0.43 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1nhn s LYS 75 Cb 0.28 -0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 1nhn s LYS 75 CO 0.19 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 1nhn n GLY 76 N 0.79 3.01 0.06 5.54 0.00 -1.22 -4.78 105.19 108.58 1nhn n GLY 76 Ca -0.18 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 0.36 -0.36 1.61 5.02 -1.26 -4.56 118.16 118.96 1nhn n LYS 77 Ca 0.00 0.30 -0.02 0.00 -2.02 0.00 0.00 58.31 56.57 1nhn n LYS 77 Cb 0.00 -1.31 0.11 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.74 1.26 -1.61 1.97 0.13 -1.87 -3.43 132.00 127.72 1nhn h PRO 78 Ca 0.00 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1nhn h PRO 78 Cb 0.56 -0.29 -0.26 0.00 0.13 0.00 0.00 31.00 31.14 1nhn h PRO 78 CO 0.00 0.84 0.42 0.16 -0.23 0.00 0.00 178.00 179.19 1nhn s ASP 79 N -6.06 -0.48 -0.34 1.44 1.47 -1.26 -5.08 116.67 106.35 1nhn s ASP 79 Ca -0.13 0.90 0.15 0.00 1.18 0.00 0.00 52.55 54.64 1nhn s ASP 79 Cb 0.18 0.96 0.43 0.00 -0.34 0.00 0.00 42.92 44.15 1nhn s ASP 79 CO 0.81 -0.15 1.25 0.00 0.68 0.00 0.00 175.17 177.76 1nhn n ALA 80 N 2.50 2.42 0.15 2.11 0.00 -1.26 -3.43 120.51 123.01 1nhn n ALA 80 Ca -0.14 -1.98 0.02 0.00 0.00 0.00 0.00 53.44 51.35 1nhn n ALA 80 Cb 0.56 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 19.10 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50