#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 -0.58 -0.35 5.41 0.00 -1.26 -4.97 120.51 118.75 1nhn n ALA 4 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1nhn n ALA 4 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 -3.82 -1.33 0.00 -0.04 -1.26 -4.85 135.00 123.71 1nhn n PRO 5 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1nhn n PRO 5 Cb 0.00 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 -4.51 0.00 -0.13 0.54 5.02 -1.26 -5.08 118.16 112.73 1nhn n LYS 6 Ca 0.10 0.44 -0.23 0.00 -2.02 0.00 0.00 58.31 56.60 1nhn n LYS 6 Cb 0.53 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 1nhn n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nhn n ARG 7 N -0.80 0.61 -2.18 1.97 5.12 -1.26 -5.01 116.66 115.12 1nhn n ARG 7 Ca 0.00 0.20 -0.26 0.00 -1.93 0.00 0.00 57.85 55.86 1nhn n ARG 7 Cb 0.35 -1.49 0.07 0.00 -1.16 0.00 0.00 32.46 30.23 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1nhn s PRO 8 N -2.51 2.18 0.74 5.56 0.04 -1.26 -5.06 135.00 134.70 1nhn s PRO 8 Ca -0.36 -0.23 -0.18 0.00 0.04 0.00 0.00 61.00 60.27 1nhn s PRO 8 Cb 0.12 -2.15 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1nhn s PRO 8 CO 0.54 -1.26 -1.01 -0.35 0.04 0.00 0.00 177.00 174.96 1nhn n PRO 9 N -2.95 0.00 -0.21 0.56 -0.04 -1.26 -4.90 135.00 126.21 1nhn n PRO 9 Ca 0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1nhn n PRO 9 Cb 0.60 -0.85 0.13 0.00 -0.04 0.00 0.00 33.50 33.35 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 2.86 2.01 0.00 3.54 7.64 -1.26 -4.88 113.62 123.52 1nhn n SER 10 Ca -0.01 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1nhn n SER 10 Cb 0.49 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.22 0.00 0.30 -0.43 0.00 -1.26 -4.48 120.51 113.42 1nhn n ALA 11 Ca 0.15 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.75 1nhn n ALA 11 Cb 0.66 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.78 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 -0.01 0.00 3.04 -1.94 -3.02 116.94 115.01 1nhn h PHE 12 Ca 0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1nhn h PHE 12 Cb 0.00 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.52 1nhn h PHE 12 CO 0.00 0.00 -0.31 0.35 -2.02 0.00 0.00 178.31 176.33 1nhn h PHE 13 N 0.00 0.33 -0.20 0.41 3.57 -1.94 -1.21 116.94 117.90 1nhn h PHE 13 Ca 0.00 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.38 1nhn h PHE 13 Cb 0.47 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 1nhn h PHE 13 CO 0.00 0.96 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.72 1nhn h LEU 14 N -0.39 -0.81 -0.75 0.59 -0.00 -1.90 -0.04 115.31 112.00 1nhn h LEU 14 Ca -0.04 0.14 0.15 0.00 -0.00 0.00 0.00 57.88 58.13 1nhn h LEU 14 Cb 1.04 0.37 -0.10 0.00 -0.00 0.00 0.00 40.66 41.97 1nhn h LEU 14 CO 0.06 -0.30 0.27 0.15 -0.00 0.00 0.00 178.44 178.62 1nhn h PHE 15 N -0.29 0.45 -0.40 1.13 3.57 -1.59 -1.49 116.94 118.31 1nhn h PHE 15 Ca 0.12 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1nhn h PHE 15 Cb 0.48 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1nhn h PHE 15 CO -0.39 0.01 0.25 0.00 -2.23 0.00 0.00 178.31 175.95 1nhn h SER 17 N 0.53 -1.23 -0.93 0.00 0.02 -0.17 0.66 113.55 112.43 1nhn h SER 17 Ca 0.14 0.15 0.17 0.00 -0.84 0.00 0.00 61.79 61.41 1nhn h SER 17 Cb -0.02 0.48 -0.10 0.00 0.14 0.00 0.00 62.40 62.90 1nhn h SER 17 CO -0.03 -0.45 0.52 -0.08 -1.14 0.00 0.00 176.83 175.65 1nhn h GLU 18 N -0.57 0.67 0.00 3.45 4.57 -1.28 -3.38 114.58 118.03 1nhn h GLU 18 Ca 0.05 -0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 57.98 1nhn h GLU 18 Cb 0.65 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1nhn h GLU 18 CO -0.30 0.44 -1.60 0.66 -1.18 0.00 0.00 179.01 177.03 1nhn n TYR 19 N -4.83 0.00 -0.26 0.92 4.01 -0.85 -4.56 117.16 111.59 1nhn n TYR 19 Ca 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.88 1nhn n TYR 19 Cb 0.51 -0.52 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 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 -3.82 -0.27 0.24 -0.72 0.63 0.23 0.91 116.66 113.86 1nhn n ARG 20 Ca -0.27 0.94 0.16 0.00 -0.92 0.00 0.00 57.85 57.77 1nhn n ARG 20 Cb 0.63 -1.39 0.64 0.00 0.45 0.00 0.00 32.46 32.79 1nhn n ARG 20 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1nhn h PRO 21 N 0.00 0.00 0.01 -0.14 0.13 -1.75 -0.27 132.00 129.97 1nhn h PRO 21 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nhn h PRO 21 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1nhn h PRO 21 CO -0.59 0.00 -0.00 -0.22 -0.23 0.00 0.00 178.00 176.96 1nhn h LYS 22 N 0.00 -0.01 -0.47 0.86 1.63 0.29 -2.73 116.57 116.14 1nhn h LYS 22 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1nhn h LYS 22 Cb 0.49 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1nhn h LYS 22 CO 0.00 0.66 0.01 -0.84 -3.45 0.00 0.00 179.45 175.83 1nhn h ILE 23 N -0.99 1.26 -0.87 2.00 3.07 -1.04 -2.02 117.51 118.92 1nhn h ILE 23 Ca -0.00 -1.03 0.13 0.00 1.55 0.00 0.00 64.86 65.50 1nhn h ILE 23 Cb 0.67 1.00 -0.07 0.00 -0.27 0.00 0.00 36.82 38.16 1nhn h ILE 23 CO 0.00 0.36 0.56 0.50 -1.05 0.00 0.00 178.15 178.52 1nhn h LYS 24 N 0.67 0.70 -0.92 0.16 3.11 -1.17 0.89 116.57 120.02 1nhn h LYS 24 Ca 0.13 -0.04 0.04 0.00 -2.81 0.00 0.00 60.65 57.98 1nhn h LYS 24 Cb 0.48 -0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 31.50 1nhn h LYS 24 CO 0.02 0.46 0.60 0.78 -2.81 0.00 0.00 179.45 178.51 1nhn h GLY 25 N 0.72 1.33 1.23 5.01 0.00 -1.04 -1.27 103.07 109.05 1nhn h GLY 25 Ca 0.42 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1nhn h GLY 25 CO -0.18 0.37 -0.77 0.83 0.00 0.00 0.00 176.54 176.78 1nhn h GLU 26 N 1.12 0.00 -2.29 4.80 4.39 -0.41 -3.38 114.58 118.80 1nhn h GLU 26 Ca 0.37 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.48 1nhn h GLU 26 Cb 0.07 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.30 1nhn h GLU 26 CO -0.12 0.00 -0.61 0.72 -1.16 0.00 0.00 179.01 177.84 1nhn n HIS 27 N -2.78 4.05 -0.83 4.33 8.25 0.28 -4.84 115.22 123.68 1nhn n HIS 27 Ca 0.01 -3.98 -0.11 0.00 -0.26 0.00 0.00 57.72 53.38 1nhn n HIS 27 Cb 0.55 -0.50 -0.01 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 -0.24 1.60 0.00 -0.41 -0.04 -0.66 -3.21 135.00 132.04 1nhn n PRO 28 Ca 0.31 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1nhn n PRO 28 Cb 0.39 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.09 0.00 0.62 0.55 0.00 -1.26 -5.09 105.19 101.09 1nhn n GLY 29 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.57 0.00 0.00 0.99 -0.00 -1.20 -5.16 117.00 110.06 1nhn n LEU 30 Ca 0.00 -0.47 -0.09 0.00 -0.00 0.00 0.00 56.01 55.45 1nhn n LEU 30 Cb 0.34 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.73 1nhn n LEU 30 CO 0.00 -0.31 -0.07 -1.20 -0.00 0.00 0.00 177.39 175.81 1nhn n SER 31 N -2.00 2.38 -0.91 1.45 7.64 -1.26 -4.98 113.62 115.94 1nhn n SER 31 Ca -0.00 -1.63 -0.01 0.00 1.01 0.00 0.00 58.87 58.24 1nhn n SER 31 Cb 0.10 0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.36 0.80 -0.00 0.44 3.06 -1.26 -1.69 119.36 120.35 1nhn n ILE 32 Ca -0.06 -0.18 -0.00 0.00 -2.50 0.00 0.00 62.75 60.01 1nhn n ILE 32 Cb 0.18 -0.73 -0.00 0.00 0.54 0.00 0.00 39.64 39.63 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 0.20 -0.01 0.20 4.50 0.00 -1.26 -4.38 105.19 104.45 1nhn n GLY 33 Ca 0.05 -0.00 -0.24 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 -2.06 1.86 0.24 1.61 -0.08 -0.93 -2.55 116.55 114.65 1nhn n ASP 34 Ca -0.01 0.20 0.09 0.00 -1.51 0.00 0.00 54.79 53.56 1nhn n ASP 34 Cb 0.51 -0.64 0.62 0.00 2.34 0.00 0.00 41.12 43.95 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 -0.67 0.81 -0.10 5.18 3.04 -1.64 0.72 116.25 123.59 1nhn h VAL 35 Ca -0.60 -0.64 -0.17 0.00 -1.01 0.00 0.00 66.70 64.28 1nhn h VAL 35 Cb 1.62 1.38 0.01 0.00 -2.01 0.00 0.00 31.29 32.28 1nhn h VAL 35 CO -0.31 0.16 -0.60 0.00 -1.01 0.00 0.00 177.57 175.82 1nhn h ALA 36 N 1.84 0.21 -0.98 3.17 0.00 -1.73 -2.55 119.26 119.20 1nhn h ALA 36 Ca -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1nhn h ALA 36 Cb 0.36 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1nhn h ALA 36 CO 0.02 0.46 0.64 -0.22 0.00 0.00 0.00 179.25 180.15 1nhn h LYS 37 N 0.21 1.18 0.84 0.00 3.64 -0.63 0.35 116.57 122.16 1nhn h LYS 37 Ca -0.05 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1nhn h LYS 37 Cb 1.25 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1nhn h LYS 37 CO 0.12 0.78 -0.40 0.87 -2.27 0.00 0.00 179.45 178.55 1nhn h LYS 38 N 1.22 -1.09 -0.47 1.90 1.57 -1.09 -2.39 116.57 116.22 1nhn h LYS 38 Ca 0.40 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.33 1nhn h LYS 38 Cb 0.05 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 1nhn h LYS 38 CO -0.13 -0.73 0.09 -0.07 -0.57 0.00 0.00 179.45 178.05 1nhn h LEU 39 N -1.28 0.00 -0.95 2.94 3.38 -1.29 0.10 115.31 118.21 1nhn h LEU 39 Ca -0.12 0.08 0.35 0.00 0.09 0.00 0.00 57.88 58.28 1nhn h LEU 39 Cb 0.87 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1nhn h LEU 39 CO 0.19 0.03 0.59 0.61 0.09 0.00 0.00 178.44 179.95 1nhn n GLY 40 N -1.28 -0.61 0.23 0.83 0.00 0.12 -1.37 105.19 103.12 1nhn n GLY 40 Ca 0.05 0.58 -0.22 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.35 0.51 -0.42 1.61 1.02 -0.46 -4.60 120.64 113.94 1nhn n GLU 41 Ca 0.30 0.22 0.34 0.00 -0.02 0.00 0.00 57.16 58.00 1nhn n GLU 41 Cb 1.12 -1.36 0.62 0.00 -0.02 0.00 0.00 31.44 31.80 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 -0.88 0.13 -0.30 3.49 2.86 0.41 -0.35 114.93 120.29 1nhn h MET 42 Ca -0.46 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.22 1nhn h MET 42 Cb 1.37 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1nhn h MET 42 CO -0.28 0.09 0.20 2.35 1.06 0.00 0.00 176.91 180.33 1nhn h TRP 43 N 0.13 0.19 0.21 -0.22 2.91 -1.54 0.43 115.95 118.06 1nhn h TRP 43 Ca 0.78 0.00 -0.35 0.00 1.13 0.00 0.00 58.89 60.46 1nhn h TRP 43 Cb 2.39 -0.06 0.02 0.00 -0.51 0.00 0.00 29.16 31.00 1nhn h TRP 43 CO -0.01 0.10 -1.67 -0.91 -1.03 0.00 0.00 178.44 174.93 1nhn h ASN 44 N 0.19 0.69 -0.55 2.65 2.35 -1.34 -3.27 115.58 116.30 1nhn h ASN 44 Ca 0.13 -0.92 -0.34 0.00 -0.55 0.00 0.00 56.30 54.62 1nhn h ASN 44 Cb 0.28 -0.23 -0.17 0.00 0.05 0.00 0.00 38.32 38.26 1nhn h ASN 44 CO -0.02 1.76 0.43 0.59 -1.65 0.00 0.00 177.43 178.54 1nhn n ASN 45 N -3.63 5.16 -1.08 5.81 3.02 -0.54 -4.82 115.26 119.18 1nhn n ASN 45 Ca -0.22 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1nhn n ASN 45 Cb 1.09 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.10 0.00 -0.91 3.41 5.66 0.14 -4.86 114.28 117.62 1nhn n THR 46 Ca 0.34 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.41 1nhn n THR 46 Cb 0.85 0.00 0.41 0.00 -1.55 0.00 0.00 70.33 70.04 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 3.91 -0.62 1.79 0.00 -1.26 -4.91 120.51 116.41 1nhn n ALA 47 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.50 1nhn n ALA 47 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.61 0.00 0.00 0.00 0.00 -1.26 -3.95 120.51 115.91 1nhn n ALA 48 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nhn n ALA 48 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 1.02 0.30 0.07 0.00 2.03 -1.26 -4.73 116.55 113.98 1nhn n ASP 49 Ca 0.00 -0.05 0.11 0.00 0.52 0.00 0.00 54.79 55.37 1nhn n ASP 49 Cb 0.00 0.17 0.01 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.20 0.69 0.01 1.67 8.00 -1.25 -3.95 116.55 121.51 1nhn n ASP 50 Ca 0.00 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.52 1nhn n ASP 50 Cb 0.00 0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.00 0.05 -0.47 -1.24 1.79 -1.90 -3.28 116.57 111.53 1nhn h LYS 51 Ca 0.00 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1nhn h LYS 51 Cb 0.90 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.49 1nhn h LYS 51 CO 0.00 0.22 -0.27 1.04 -1.08 0.00 0.00 179.45 179.35 1nhn n GLN 52 N -4.97 -0.20 0.19 3.15 3.00 -1.25 -0.23 117.38 117.05 1nhn n GLN 52 Ca -0.07 0.85 -0.14 0.00 -0.01 0.00 0.00 57.00 57.63 1nhn n GLN 52 Cb 0.12 -1.26 -0.07 0.00 0.00 0.00 0.00 30.24 29.03 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 -0.52 -0.64 -1.09 0.13 -1.80 -0.49 132.00 127.59 1nhn h PRO 53 Ca 0.07 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.37 1nhn h PRO 53 Cb 0.19 0.12 -0.10 0.00 0.13 0.00 0.00 31.00 31.34 1nhn h PRO 53 CO -0.44 -0.35 0.07 1.88 -0.23 0.00 0.00 178.00 178.93 1nhn h TYR 54 N -0.54 0.08 0.50 1.56 0.05 -1.23 -1.68 116.97 115.71 1nhn h TYR 54 Ca -0.01 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1nhn h TYR 54 Cb 0.49 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1nhn h TYR 54 CO -0.15 -0.12 -0.26 0.93 -1.05 0.00 0.00 178.16 177.51 1nhn h GLU 55 N 0.18 -0.67 -1.48 4.88 4.39 -0.38 -0.73 114.58 120.76 1nhn h GLU 55 Ca 0.34 0.05 0.49 0.00 0.34 0.00 0.00 59.36 60.58 1nhn h GLU 55 Cb 0.56 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.23 1nhn h GLU 55 CO -0.50 -0.45 0.98 0.87 -1.16 0.00 0.00 179.01 178.75 1nhn h LYS 56 N -0.70 0.01 0.08 2.33 1.79 -0.39 0.36 116.57 120.06 1nhn h LYS 56 Ca -0.07 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1nhn h LYS 56 Cb 0.54 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1nhn h LYS 56 CO 0.09 0.01 -0.04 0.87 -1.08 0.00 0.00 179.45 179.30 1nhn h LYS 57 N 0.01 -0.10 -0.92 3.15 1.57 -0.90 -1.50 116.57 117.88 1nhn h LYS 57 Ca 0.89 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.89 1nhn h LYS 57 Cb 2.99 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 35.21 1nhn h LYS 57 CO -0.39 -0.07 0.46 0.00 -0.57 0.00 0.00 179.45 178.88 1nhn h ALA 58 N -1.46 1.49 0.25 3.86 0.00 -0.29 -0.03 119.26 123.07 1nhn h ALA 58 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nhn h ALA 58 Cb 0.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nhn h ALA 58 CO 0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 179.25 178.90 1nhn h ALA 59 N 1.68 -0.33 -0.52 0.00 0.00 -0.41 -0.29 119.26 119.38 1nhn h ALA 59 Ca 0.56 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.50 1nhn h ALA 59 Cb 1.00 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1nhn h ALA 59 CO -0.47 -0.68 -0.09 -0.22 0.00 0.00 0.00 179.25 177.78 1nhn h LYS 60 N -0.34 0.03 0.24 0.00 3.64 0.09 0.35 116.57 120.57 1nhn h LYS 60 Ca -0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1nhn h LYS 60 Cb 0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1nhn h LYS 60 CO 0.06 0.02 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.07 1nhn h LEU 61 N 0.03 -0.27 -0.51 5.20 3.38 -1.21 -3.11 115.31 118.82 1nhn h LEU 61 Ca 0.25 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1nhn h LEU 61 Cb 0.39 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1nhn h LEU 61 CO -0.51 -0.08 0.31 0.11 0.09 0.00 0.00 178.44 178.37 1nhn h LYS 62 N -0.46 0.61 -0.71 1.13 1.57 -0.58 -2.98 116.57 115.15 1nhn h LYS 62 Ca -0.03 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1nhn h LYS 62 Cb 0.35 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1nhn h LYS 62 CO 0.05 0.40 -0.42 -1.91 -0.57 0.00 0.00 179.45 177.01 1nhn n GLU 63 N -4.78 -0.31 -0.14 3.15 4.07 0.12 0.09 120.64 122.83 1nhn n GLU 63 Ca 0.03 1.28 -0.06 0.00 -0.06 0.00 0.00 57.16 58.36 1nhn n GLU 63 Cb 0.06 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 1nhn n GLU 63 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1nhn h LYS 64 N 0.00 -0.18 0.39 5.31 1.57 -1.46 -2.71 116.57 119.50 1nhn h LYS 64 Ca 0.11 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1nhn h LYS 64 Cb 0.29 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1nhn h LYS 64 CO -0.67 -0.12 -0.30 -0.92 -0.57 0.00 0.00 179.45 176.88 1nhn h TYR 65 N -0.18 -0.80 -1.62 -1.35 3.20 -0.33 -2.79 116.97 113.09 1nhn h TYR 65 Ca 0.21 -0.00 0.48 0.00 3.14 0.00 0.00 58.73 62.55 1nhn h TYR 65 Cb 0.51 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 39.01 1nhn h TYR 65 CO -0.53 -0.42 1.16 0.39 -1.64 0.00 0.00 178.16 177.12 1nhn n GLU 66 N -4.17 -0.00 0.06 1.82 1.02 0.11 -0.20 120.64 119.27 1nhn n GLU 66 Ca -0.08 0.92 -0.08 0.00 -0.02 0.00 0.00 57.16 57.90 1nhn n GLU 66 Cb 0.29 -2.09 -0.05 0.00 -0.02 0.00 0.00 31.44 29.56 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 -0.24 0.00 3.49 6.56 -1.27 0.39 116.57 125.51 1nhn h LYS 67 Ca 0.79 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.38 1nhn h LYS 67 Cb 3.11 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 34.82 1nhn h LYS 67 CO -0.04 0.06 -0.05 0.22 -2.06 0.00 0.00 179.45 177.57 1nhn h ASP 68 N -0.99 0.00 -0.08 0.86 3.58 -0.53 -0.42 116.42 118.83 1nhn h ASP 68 Ca -0.02 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.20 1nhn h ASP 68 Cb 0.40 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1nhn h ASP 68 CO 0.04 0.05 -0.81 0.40 -2.88 0.00 0.00 179.24 176.05 1nhn h ILE 69 N 0.00 1.29 -0.95 2.25 1.08 -0.72 -2.63 117.51 117.83 1nhn h ILE 69 Ca -0.00 -2.03 0.11 0.00 -0.39 0.00 0.00 64.86 62.56 1nhn h ILE 69 Cb 0.14 2.05 -0.08 0.00 -3.07 0.00 0.00 36.82 35.86 1nhn h ILE 69 CO 0.01 0.64 0.61 0.00 -0.69 0.00 0.00 178.15 178.71 1nhn h ALA 70 N 0.58 1.61 -0.29 1.87 0.00 0.15 0.26 119.26 123.43 1nhn h ALA 70 Ca -0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1nhn h ALA 70 Cb 1.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1nhn h ALA 70 CO 0.16 0.17 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 1nhn h ALA 71 N 1.55 1.14 0.00 0.00 0.00 -1.05 0.66 119.26 121.56 1nhn h ALA 71 Ca 0.46 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1nhn h ALA 71 Cb 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nhn h ALA 71 CO -0.22 0.54 -0.11 -0.92 0.00 0.00 0.00 179.25 178.54 1nhn h TYR 72 N 0.48 0.00 0.00 0.00 3.20 -0.24 0.23 116.97 120.64 1nhn h TYR 72 Ca 0.08 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.69 1nhn h TYR 72 Cb 0.59 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1nhn h TYR 72 CO 0.02 0.11 -1.98 0.54 -1.64 0.00 0.00 178.16 175.21 1nhn n ARG 73 N -3.62 1.66 -0.72 1.82 1.74 -0.90 -4.53 116.66 112.11 1nhn n ARG 73 Ca -0.02 -0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 1nhn n ARG 73 Cb 0.23 -1.37 0.23 0.00 -1.02 0.00 0.00 32.46 30.54 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nhn n ALA 74 N -2.53 3.92 -0.18 7.54 0.00 0.20 -4.97 120.51 124.48 1nhn n ALA 74 Ca -0.23 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1nhn n ALA 74 Cb 0.96 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1nhn n ALA 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nhn n LYS 75 N -0.79 0.00 0.00 0.00 2.85 0.80 -4.78 118.16 116.24 1nhn n LYS 75 Ca 0.31 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 1nhn n LYS 75 Cb 1.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.45 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nhn n GLY 76 N 0.00 2.14 0.25 2.58 0.00 -1.26 -4.67 105.19 104.24 1nhn n GLY 76 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 0.44 0.09 1.61 4.76 -1.26 -4.62 118.16 119.18 1nhn n LYS 77 Ca 0.00 0.17 0.14 0.00 -2.87 0.00 0.00 58.31 55.75 1nhn n LYS 77 Cb 0.00 -1.27 0.64 0.00 -1.84 0.00 0.00 35.03 32.57 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1nhn h PRO 78 N -0.82 0.06 -5.97 1.97 0.13 -1.92 -3.48 132.00 121.97 1nhn h PRO 78 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nhn h PRO 78 Cb 0.82 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1nhn h PRO 78 CO 0.00 0.04 -0.52 -3.47 -0.23 0.00 0.00 178.00 173.82 1nhn n ASP 79 N -4.45 -6.68 -3.53 1.44 2.03 -1.26 -3.90 116.55 100.18 1nhn n ASP 79 Ca 0.05 0.62 -0.25 0.00 0.52 0.00 0.00 54.79 55.73 1nhn n ASP 79 Cb 0.37 -1.47 0.05 0.00 -0.72 0.00 0.00 41.12 39.35 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 1.80 -2.48 -0.53 -1.67 0.00 -1.26 -5.11 120.51 111.25 1nhn n ALA 80 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1nhn n ALA 80 Cb 0.26 -4.54 0.00 0.00 0.00 0.00 0.00 19.45 15.17 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50