#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 -1.14 5.41 0.00 -1.26 -4.75 120.51 118.15 1nhn n ALA 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1nhn n ALA 4 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.31 0.15 -3.02 0.00 -0.02 -1.26 -4.99 135.00 125.56 1nhn n PRO 5 Ca 0.00 0.10 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 1nhn n PRO 5 Cb 0.00 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1nhn n PRO 5 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1nhn n LYS 6 N -1.07 0.69 -2.03 -0.52 2.85 -1.26 -4.97 118.16 111.85 1nhn n LYS 6 Ca 0.09 -2.61 -0.02 0.00 -1.05 0.00 0.00 58.31 54.72 1nhn n LYS 6 Cb 0.51 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1nhn n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1nhn n ARG 7 N 1.69 -0.77 -0.67 -1.58 1.74 -1.26 -5.04 116.66 110.76 1nhn n ARG 7 Ca 0.17 1.04 -0.29 0.00 -0.77 0.00 0.00 57.85 58.00 1nhn n ARG 7 Cb 0.56 -3.07 0.25 0.00 -1.02 0.00 0.00 32.46 29.19 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 -2.01 -1.44 -0.43 5.56 0.02 -1.26 -4.83 135.00 130.60 1nhn s PRO 8 Ca 0.07 0.42 -0.27 0.00 0.02 0.00 0.00 61.00 61.23 1nhn s PRO 8 Cb -0.02 -1.53 -0.07 0.00 0.02 0.00 0.00 34.50 32.91 1nhn s PRO 8 CO 0.28 -3.96 2.38 -2.30 -0.33 0.00 0.00 177.00 173.07 1nhn n PRO 9 N -5.02 1.25 -3.68 5.54 -0.02 -1.26 -4.91 135.00 126.88 1nhn n PRO 9 Ca 0.07 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1nhn n PRO 9 Cb 0.57 -3.36 -0.10 0.00 -0.02 0.00 0.00 33.50 30.59 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nhn s SER 10 N 11.21 -0.55 0.00 2.55 1.04 -1.26 -4.54 113.70 122.16 1nhn s SER 10 Ca 1.00 0.99 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1nhn s SER 10 Cb -0.24 0.93 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1nhn s SER 10 CO 0.29 -0.20 0.00 0.00 0.98 0.00 0.00 173.24 174.31 1nhn n ALA 11 N 4.41 0.00 0.08 5.32 0.00 -1.26 -4.25 120.51 124.81 1nhn n ALA 11 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1nhn n ALA 11 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 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 0.36 0.19 0.00 3.57 -1.95 -3.32 116.94 115.78 1nhn h PHE 12 Ca 0.00 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.25 1nhn h PHE 12 Cb 0.00 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1nhn h PHE 12 CO 0.00 1.23 -0.52 0.35 -2.23 0.00 0.00 178.31 177.14 1nhn h PHE 13 N 0.05 -1.50 -0.83 0.41 3.57 -1.80 0.18 116.94 117.03 1nhn h PHE 13 Ca -0.13 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.50 1nhn h PHE 13 Cb 1.94 0.63 -0.12 0.00 2.79 0.00 0.00 35.95 41.18 1nhn h PHE 13 CO 0.05 -0.60 -0.50 -0.07 -2.23 0.00 0.00 178.31 174.95 1nhn h LEU 14 N -0.79 -1.79 -0.55 0.59 -0.00 -1.86 0.15 115.31 111.06 1nhn h LEU 14 Ca -0.02 0.30 0.07 0.00 -0.00 0.00 0.00 57.88 58.23 1nhn h LEU 14 Cb 0.77 0.82 -0.06 0.00 -0.00 0.00 0.00 40.66 42.19 1nhn h LEU 14 CO -0.25 -0.29 0.22 0.15 -0.00 0.00 0.00 178.44 178.28 1nhn h PHE 15 N -0.10 0.40 -0.05 1.13 3.57 -1.59 -2.48 116.94 117.82 1nhn h PHE 15 Ca 0.20 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1nhn h PHE 15 Cb 0.51 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1nhn h PHE 15 CO -0.88 0.14 -0.25 0.00 -2.23 0.00 0.00 178.31 175.09 1nhn h SER 17 N -0.36 -0.78 -0.91 0.00 0.02 -0.73 0.23 113.55 111.02 1nhn h SER 17 Ca 0.08 0.10 0.18 0.00 -0.84 0.00 0.00 61.79 61.30 1nhn h SER 17 Cb 0.47 0.31 -0.17 0.00 0.14 0.00 0.00 62.40 63.15 1nhn h SER 17 CO -0.25 -0.20 -0.23 -0.62 -1.14 0.00 0.00 176.83 174.39 1nhn n GLU 18 N -3.84 -0.08 -0.04 3.45 -0.58 -0.97 -2.85 120.64 115.72 1nhn n GLU 18 Ca -0.02 1.41 -0.16 0.00 -0.42 0.00 0.00 57.16 57.97 1nhn n GLU 18 Cb 0.16 -2.11 -0.14 0.00 -0.57 0.00 0.00 31.44 28.78 1nhn n GLU 18 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1nhn n TYR 19 N -5.48 0.82 -0.28 -0.32 4.02 -0.95 -4.44 117.16 110.52 1nhn n TYR 19 Ca 0.14 0.21 -0.06 0.00 -0.01 0.00 0.00 57.90 58.19 1nhn n TYR 19 Cb 0.45 -1.12 -0.04 0.00 -0.02 0.00 0.00 39.34 38.61 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 -0.26 0.00 -0.72 0.00 0.77 0.45 116.66 113.65 1nhn n ARG 20 Ca -0.31 1.04 0.14 0.00 -0.00 0.00 0.00 57.85 58.73 1nhn n ARG 20 Cb 1.05 -1.54 0.65 0.00 0.00 0.00 0.00 32.46 32.63 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1nhn n PRO 21 N -4.90 0.33 -0.09 -0.14 -0.04 -1.26 -1.28 135.00 127.62 1nhn n PRO 21 Ca 0.03 -0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 1nhn n PRO 21 Cb 0.21 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 1nhn n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1nhn h LYS 22 N 0.11 0.00 -0.14 0.54 1.63 -0.22 -1.62 116.57 116.87 1nhn h LYS 22 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1nhn h LYS 22 Cb 0.38 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1nhn h LYS 22 CO 0.00 0.71 -0.03 -0.84 -3.45 0.00 0.00 179.45 175.85 1nhn h ILE 23 N -1.00 1.28 -0.45 2.00 3.07 -0.97 -1.45 117.51 120.00 1nhn h ILE 23 Ca -0.18 -0.95 0.11 0.00 1.55 0.00 0.00 64.86 65.39 1nhn h ILE 23 Cb 0.97 1.64 -0.02 0.00 -0.27 0.00 0.00 36.82 39.14 1nhn h ILE 23 CO -0.11 0.28 0.32 0.50 -1.05 0.00 0.00 178.15 178.09 1nhn h LYS 24 N -0.04 0.11 -0.86 0.16 3.64 -1.34 0.90 116.57 119.14 1nhn h LYS 24 Ca 0.04 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1nhn h LYS 24 Cb 0.44 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 1nhn h LYS 24 CO 0.01 0.07 0.56 0.78 -2.27 0.00 0.00 179.45 178.60 1nhn h GLY 25 N 0.11 1.20 0.35 5.01 0.00 -0.24 -0.49 103.07 109.02 1nhn h GLY 25 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1nhn h GLY 25 CO -0.02 0.19 -1.60 1.18 0.00 0.00 0.00 176.54 176.29 1nhn n GLU 26 N -4.52 0.60 -2.97 4.80 -0.58 0.56 -4.50 120.64 114.03 1nhn n GLU 26 Ca 0.15 -0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.51 1nhn n GLU 26 Cb 0.32 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nhn n HIS 27 N -2.36 3.76 0.05 -0.32 8.25 0.28 -4.85 115.22 120.04 1nhn n HIS 27 Ca -0.02 -3.77 0.00 0.00 -0.26 0.00 0.00 57.72 53.67 1nhn n HIS 27 Cb 0.55 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.01 0.95 0.00 -0.41 -0.04 -0.37 -2.14 135.00 132.98 1nhn n PRO 28 Ca 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1nhn n PRO 28 Cb 0.37 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 1.16 0.43 4.02 0.55 0.00 -1.26 -5.09 105.19 104.99 1nhn n GLY 29 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.83 3.02 0.00 0.99 1.43 -0.91 -5.13 118.68 117.25 1nhn s LEU 30 Ca 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1nhn s LEU 30 Cb 0.00 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1nhn s LEU 30 CO 0.00 -1.59 0.03 -1.54 0.23 0.00 0.00 176.35 173.48 1nhn n SER 31 N -2.49 3.14 -1.56 2.29 3.41 -1.26 -4.96 113.62 112.19 1nhn n SER 31 Ca 0.16 -2.87 0.01 0.00 -0.26 0.00 0.00 58.87 55.90 1nhn n SER 31 Cb 0.61 0.27 0.25 0.00 -0.26 0.00 0.00 64.21 65.09 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nhn n ILE 32 N -1.12 2.07 -0.01 -1.33 3.06 -1.26 -1.45 119.36 119.31 1nhn n ILE 32 Ca -0.17 -1.05 -0.01 0.00 -2.50 0.00 0.00 62.75 59.02 1nhn n ILE 32 Cb 0.55 -0.40 -0.02 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 0.22 -0.12 0.36 4.50 0.00 -1.26 -4.39 105.19 104.49 1nhn n GLY 33 Ca 0.24 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.02 1.54 0.11 1.61 -0.08 -1.15 -2.44 116.55 114.11 1nhn n ASP 34 Ca -0.04 0.26 0.15 0.00 -1.51 0.00 0.00 54.79 53.65 1nhn n ASP 34 Cb 0.51 -0.61 0.66 0.00 2.34 0.00 0.00 41.12 44.02 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 -0.74 0.85 0.11 5.18 3.04 -1.57 0.35 116.25 123.48 1nhn h VAL 35 Ca -0.35 -0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.13 1nhn h VAL 35 Cb 1.22 0.84 0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1nhn h VAL 35 CO -0.21 0.00 -0.86 0.00 -1.01 0.00 0.00 177.57 175.49 1nhn h ALA 36 N 1.84 -0.05 -0.68 3.17 0.00 -1.76 -2.66 119.26 119.12 1nhn h ALA 36 Ca 0.15 -0.69 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1nhn h ALA 36 Cb 0.57 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1nhn h ALA 36 CO -0.00 0.43 0.37 -0.22 0.00 0.00 0.00 179.25 179.82 1nhn h LYS 37 N -0.19 0.65 0.54 0.00 1.63 -0.07 0.15 116.57 119.27 1nhn h LYS 37 Ca -0.14 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 1nhn h LYS 37 Cb 1.63 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.11 1nhn h LYS 37 CO 0.16 0.43 -0.36 0.87 -3.45 0.00 0.00 179.45 177.10 1nhn h LYS 38 N 0.67 -0.83 -0.49 1.90 1.57 -0.93 -2.01 116.57 116.44 1nhn h LYS 38 Ca 0.31 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.24 1nhn h LYS 38 Cb 0.22 0.19 -0.10 0.00 0.08 0.00 0.00 32.23 32.62 1nhn h LYS 38 CO -0.20 -0.55 -0.30 -0.07 -0.57 0.00 0.00 179.45 177.75 1nhn h LEU 39 N -0.86 -1.03 -0.76 2.94 3.38 -1.00 0.20 115.31 118.17 1nhn h LEU 39 Ca -0.06 0.20 0.25 0.00 0.09 0.00 0.00 57.88 58.36 1nhn h LEU 39 Cb 0.71 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 1nhn h LEU 39 CO 0.04 -0.30 0.16 0.61 0.09 0.00 0.00 178.44 179.05 1nhn n GLY 40 N -1.42 -0.86 0.11 0.83 0.00 0.44 -1.19 105.19 103.09 1nhn n GLY 40 Ca 0.03 0.70 -0.22 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.93 0.59 0.23 1.61 1.02 0.03 -4.37 120.64 114.82 1nhn n GLU 41 Ca 0.22 0.53 0.12 0.00 -0.02 0.00 0.00 57.16 58.01 1nhn n GLU 41 Cb 0.73 -1.74 0.73 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.85 0.00 0.07 3.49 2.86 0.50 -2.96 114.93 118.04 1nhn h MET 42 Ca -0.37 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1nhn h MET 42 Cb 1.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 1nhn h MET 42 CO -0.17 0.00 -0.09 2.35 1.06 0.00 0.00 176.91 180.06 1nhn h TRP 43 N 0.00 -0.22 0.00 -0.22 2.91 -1.35 0.04 115.95 117.10 1nhn h TRP 43 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1nhn h TRP 43 Cb 0.18 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1nhn h TRP 43 CO 0.00 -0.14 0.00 0.27 -1.03 0.00 0.00 178.44 177.54 1nhn n ASN 44 N -5.20 0.07 -1.52 2.65 0.23 -1.12 -1.11 115.26 109.25 1nhn n ASN 44 Ca -0.07 0.52 -0.05 0.00 -0.53 0.00 0.00 54.58 54.45 1nhn n ASN 44 Cb 0.13 -0.54 0.24 0.00 -2.08 0.00 0.00 39.78 37.54 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 -1.59 3.70 -2.04 0.53 3.02 -0.07 -4.98 115.26 113.84 1nhn n ASN 45 Ca 0.02 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1nhn n ASN 45 Cb 0.12 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.71 0.00 -1.32 3.41 5.66 -0.27 -4.96 114.28 116.10 1nhn n THR 46 Ca 0.37 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.21 1nhn n THR 46 Cb 1.21 -0.60 0.19 0.00 -1.55 0.00 0.00 70.33 69.59 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 5.11 -0.43 1.79 0.00 -1.26 -4.94 120.51 117.78 1nhn n ALA 47 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1nhn n ALA 47 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.13 0.00 0.00 0.00 0.00 -1.26 -3.68 120.51 114.44 1nhn n ALA 48 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1nhn n ALA 48 Cb 1.43 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.77 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 0.46 2.18 -0.50 0.00 9.92 -1.26 -4.67 116.55 122.69 1nhn n ASP 49 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1nhn n ASP 49 Cb 0.00 0.29 0.41 0.00 -0.64 0.00 0.00 41.12 41.18 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nhn n ASP 50 N -0.99 1.52 -0.02 -2.24 9.92 -1.24 -3.57 116.55 119.93 1nhn n ASP 50 Ca 0.00 -1.66 -0.20 0.00 -0.53 0.00 0.00 54.79 52.41 1nhn n ASP 50 Cb 0.15 -0.08 -0.14 0.00 -0.64 0.00 0.00 41.12 40.40 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1nhn n LYS 51 N 0.22 0.74 -0.29 -1.24 5.02 -1.26 -4.39 118.16 116.95 1nhn n LYS 51 Ca 0.16 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.74 1nhn n LYS 51 Cb 0.31 -1.68 0.11 0.00 -0.02 0.00 0.00 35.03 33.75 1nhn n LYS 51 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nhn n GLN 52 N -3.41 -0.07 0.13 1.97 1.13 -1.23 -0.14 117.38 115.74 1nhn n GLN 52 Ca -0.33 1.24 -0.12 0.00 -1.94 0.00 0.00 57.00 55.85 1nhn n GLN 52 Cb 1.04 -1.85 -0.07 0.00 0.11 0.00 0.00 30.24 29.47 1nhn n GLN 52 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1nhn h PRO 53 N 0.00 -0.56 -0.67 -1.09 0.13 -1.80 -2.70 132.00 125.31 1nhn h PRO 53 Ca 0.38 0.04 0.14 0.00 -0.87 0.00 0.00 66.00 65.68 1nhn h PRO 53 Cb 0.58 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 31.73 1nhn h PRO 53 CO -0.82 -0.37 0.13 1.88 -0.23 0.00 0.00 178.00 178.59 1nhn h TYR 54 N -0.58 0.19 -0.15 1.56 0.05 -0.99 -2.57 116.97 114.48 1nhn h TYR 54 Ca -0.02 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1nhn h TYR 54 Cb 0.54 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1nhn h TYR 54 CO -0.31 -0.08 -0.22 0.93 -1.05 0.00 0.00 178.16 177.42 1nhn h GLU 55 N 0.24 -0.16 -1.13 4.88 4.39 -0.34 0.20 114.58 122.66 1nhn h GLU 55 Ca 0.36 0.01 0.38 0.00 0.34 0.00 0.00 59.36 60.46 1nhn h GLU 55 Cb 0.59 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.17 1nhn h GLU 55 CO -0.48 -0.11 0.73 1.63 -1.16 0.00 0.00 179.01 179.63 1nhn n LYS 56 N -3.76 -0.03 -0.05 2.33 4.76 -0.97 0.31 118.16 120.76 1nhn n LYS 56 Ca -0.02 0.98 -0.02 0.00 -2.87 0.00 0.00 58.31 56.38 1nhn n LYS 56 Cb 0.14 -1.95 -0.01 0.00 -1.84 0.00 0.00 35.03 31.37 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 0.00 -1.00 1.97 1.57 -1.11 -3.09 116.57 114.91 1nhn h LYS 57 Ca 0.70 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.76 1nhn h LYS 57 Cb 2.30 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 34.42 1nhn h LYS 57 CO -0.34 0.00 0.04 0.00 -0.57 0.00 0.00 179.45 178.58 1nhn n ALA 58 N -3.06 0.53 0.45 3.86 0.00 0.52 0.19 120.51 123.00 1nhn n ALA 58 Ca -0.03 1.07 -0.20 0.00 0.00 0.00 0.00 53.44 54.28 1nhn n ALA 58 Cb 0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 1nhn n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nhn h ALA 59 N 2.00 -1.19 -0.93 0.00 0.00 -0.30 0.17 119.26 119.02 1nhn h ALA 59 Ca 0.62 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 55.52 1nhn h ALA 59 Cb 1.29 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 19.42 1nhn h ALA 59 CO -0.93 -1.17 0.02 -0.22 0.00 0.00 0.00 179.25 176.94 1nhn h LYS 60 N -1.17 0.04 0.77 0.00 1.63 -0.16 0.13 116.57 117.81 1nhn h LYS 60 Ca -0.11 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1nhn h LYS 60 Cb 0.91 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.54 1nhn h LYS 60 CO 0.15 0.03 -0.37 -0.07 -3.45 0.00 0.00 179.45 175.74 1nhn h LEU 61 N 0.04 -0.87 -0.80 5.20 3.38 -0.83 -1.11 115.31 120.31 1nhn h LEU 61 Ca 0.55 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.73 1nhn h LEU 61 Cb 1.08 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 1nhn h LEU 61 CO -0.85 -0.54 0.24 0.11 0.09 0.00 0.00 178.44 177.48 1nhn h LYS 62 N -1.20 0.29 0.54 1.13 1.79 -0.01 -1.28 116.57 117.84 1nhn h LYS 62 Ca -0.11 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1nhn h LYS 62 Cb 0.79 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1nhn h LYS 62 CO 0.17 0.19 -0.31 1.49 -1.08 0.00 0.00 179.45 179.92 1nhn h GLU 63 N 0.30 -0.75 -0.72 3.15 4.81 -0.79 -0.73 114.58 119.85 1nhn h GLU 63 Ca 0.47 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.90 1nhn h GLU 63 Cb 0.85 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.30 1nhn h GLU 63 CO -0.54 -0.50 0.23 1.57 -0.73 0.00 0.00 179.01 179.04 1nhn h LYS 64 N -0.78 0.34 0.03 1.92 2.10 -0.74 -2.66 116.57 116.78 1nhn h LYS 64 Ca -0.07 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1nhn h LYS 64 Cb 0.62 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1nhn h LYS 64 CO 0.09 0.22 -0.07 -0.92 -2.00 0.00 0.00 179.45 176.77 1nhn h TYR 65 N 0.35 -0.20 -1.48 0.07 3.20 -1.06 0.66 116.97 118.50 1nhn h TYR 65 Ca 0.40 0.00 0.43 0.00 3.14 0.00 0.00 58.73 62.70 1nhn h TYR 65 Cb 0.64 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 1nhn h TYR 65 CO -0.21 -0.08 1.25 0.93 -1.64 0.00 0.00 178.16 178.40 1nhn h GLU 66 N -0.11 0.00 0.05 1.82 5.08 -0.78 0.24 114.58 120.88 1nhn h GLU 66 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1nhn h GLU 66 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1nhn h GLU 66 CO -0.03 0.00 -1.10 0.87 -1.00 0.00 0.00 179.01 177.75 1nhn h LYS 67 N 0.00 0.11 -0.15 2.33 6.56 -1.23 -2.99 116.57 121.20 1nhn h LYS 67 Ca 0.70 -0.18 0.04 0.00 -1.06 0.00 0.00 60.65 60.15 1nhn h LYS 67 Cb 3.19 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 34.91 1nhn h LYS 67 CO -0.01 1.09 0.11 0.22 -2.06 0.00 0.00 179.45 178.80 1nhn h ASP 68 N -0.68 0.00 -0.10 0.86 3.58 0.17 0.23 116.42 120.47 1nhn h ASP 68 Ca -0.27 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.09 1nhn h ASP 68 Cb 1.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1nhn h ASP 68 CO -0.05 0.00 -0.30 -0.29 -2.88 0.00 0.00 179.24 175.72 1nhn h ILE 69 N 0.00 1.39 -0.29 2.25 -0.00 -0.84 -0.65 117.51 119.36 1nhn h ILE 69 Ca 0.07 -1.62 0.02 0.00 -0.00 0.00 0.00 64.86 63.33 1nhn h ILE 69 Cb 0.28 2.16 -0.02 0.00 -0.00 0.00 0.00 36.82 39.24 1nhn h ILE 69 CO -0.00 0.47 0.20 0.00 -0.00 0.00 0.00 178.15 178.82 1nhn h ALA 70 N 0.49 1.87 -0.00 0.18 0.00 -0.91 0.15 119.26 121.04 1nhn h ALA 70 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nhn h ALA 70 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1nhn h ALA 70 CO 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 1nhn n ALA 71 N -2.51 2.50 0.01 0.00 0.00 0.62 -1.34 120.51 119.79 1nhn n ALA 71 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1nhn n ALA 71 Cb 0.12 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.48 0.52 -0.08 0.00 9.36 0.38 -4.22 117.16 121.64 1nhn n TYR 72 Ca 0.07 0.17 -0.12 0.00 3.32 0.00 0.00 57.90 61.34 1nhn n TYR 72 Cb 0.33 -0.88 -0.08 0.00 -0.63 0.00 0.00 39.34 38.08 1nhn n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nhn h ARG 73 N 0.00 0.00 -0.99 2.98 3.08 -1.02 -3.36 114.38 115.08 1nhn h ARG 73 Ca -0.16 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.24 1nhn h ARG 73 Cb 1.44 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.38 1nhn h ARG 73 CO 0.02 0.65 0.62 0.00 -1.07 0.00 0.00 179.97 180.18 1nhn n ALA 74 N -3.05 0.98 -4.10 0.04 0.00 -0.45 -4.51 120.51 109.43 1nhn n ALA 74 Ca -0.14 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1nhn n ALA 74 Cb 0.41 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1nhn n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nhn n LYS 75 N -4.32 1.20 0.00 0.00 4.01 -1.26 -4.87 118.16 112.93 1nhn n LYS 75 Ca 0.30 -1.38 0.00 0.00 -0.51 0.00 0.00 58.31 56.72 1nhn n LYS 75 Cb 1.15 0.53 0.00 0.00 -0.51 0.00 0.00 35.03 36.20 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nhn n GLY 76 N 1.99 3.17 0.12 0.72 0.00 -1.15 -4.83 105.19 105.21 1nhn n GLY 76 Ca -0.05 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 0.63 -0.27 1.61 5.02 -1.26 -3.95 118.16 119.93 1nhn n LYS 77 Ca 0.00 0.44 0.02 0.00 -2.02 0.00 0.00 58.31 56.75 1nhn n LYS 77 Cb 0.00 -1.70 0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1nhn h PRO 78 N -0.66 0.71 -2.52 1.97 0.11 -1.89 -3.42 132.00 126.31 1nhn h PRO 78 Ca -0.41 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1nhn h PRO 78 Cb 1.57 -0.16 -0.21 0.00 0.11 0.00 0.00 31.00 32.31 1nhn h PRO 78 CO -0.14 0.47 -0.07 -0.51 -0.21 0.00 0.00 178.00 177.54 1nhn s ASP 79 N -5.58 -0.46 -0.18 -2.05 1.01 -1.26 -5.04 116.67 103.11 1nhn s ASP 79 Ca -0.12 0.62 0.13 0.00 0.71 0.00 0.00 52.55 53.89 1nhn s ASP 79 Cb 0.19 0.65 0.40 0.00 1.01 0.00 0.00 42.92 45.16 1nhn s ASP 79 CO 0.77 -0.41 1.20 0.00 0.21 0.00 0.00 175.17 176.95 1nhn n ALA 80 N 1.69 3.37 -0.50 5.23 0.00 -1.25 -2.94 120.51 126.11 1nhn n ALA 80 Ca -0.18 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1nhn n ALA 80 Cb 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50