#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 -0.45 -0.49 5.41 0.00 -1.26 -4.73 120.51 118.98 1nhn n ALA 4 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1nhn n ALA 4 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.23 0.00 -3.77 0.00 -0.02 -1.26 -5.00 135.00 124.72 1nhn n PRO 5 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1nhn n PRO 5 Cb 0.00 -0.48 -0.14 0.00 -0.02 0.00 0.00 33.50 32.87 1nhn n PRO 5 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1nhn s LYS 6 N -0.89 1.32 0.00 -0.52 -2.85 -1.26 -5.05 119.74 110.49 1nhn s LYS 6 Ca 0.20 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 53.22 1nhn s LYS 6 Cb -0.11 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1nhn s LYS 6 CO 0.39 -1.11 0.00 2.89 0.10 0.00 0.00 175.35 177.61 1nhn n ARG 7 N 3.71 0.00 -0.66 1.78 1.85 -1.26 -4.87 116.66 117.21 1nhn n ARG 7 Ca 0.06 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.62 1nhn n ARG 7 Cb 0.36 0.00 0.25 0.00 -1.05 0.00 0.00 32.46 32.02 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1nhn s PRO 8 N 0.00 -1.43 1.00 2.89 0.04 -1.26 -5.02 135.00 131.22 1nhn s PRO 8 Ca 0.00 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 61.33 1nhn s PRO 8 Cb 0.00 -1.53 0.14 0.00 0.04 0.00 0.00 34.50 33.15 1nhn s PRO 8 CO 0.00 -3.96 0.17 -0.35 0.04 0.00 0.00 177.00 172.90 1nhn n PRO 9 N -5.02 -1.99 -1.19 0.56 -0.04 -1.26 -4.92 135.00 121.13 1nhn n PRO 9 Ca 0.07 -0.59 0.05 0.00 -0.04 0.00 0.00 63.50 62.99 1nhn n PRO 9 Cb 0.57 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 1nhn n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1nhn n SER 10 N -0.91 1.26 0.00 3.54 2.88 -1.26 -4.83 113.62 114.30 1nhn n SER 10 Ca 0.05 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1nhn n SER 10 Cb 0.39 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.08 0.00 0.36 -1.46 0.00 -1.26 -4.54 120.51 113.53 1nhn n ALA 11 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1nhn n ALA 11 Cb 0.99 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.96 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 0.13 0.00 3.57 -1.94 -3.08 116.94 115.62 1nhn h PHE 12 Ca 0.00 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.22 1nhn h PHE 12 Cb 0.00 0.00 0.03 0.00 2.79 0.00 0.00 35.95 38.77 1nhn h PHE 12 CO 0.00 0.00 -1.17 0.35 -2.23 0.00 0.00 178.31 175.26 1nhn h PHE 13 N 0.00 0.93 -0.12 0.41 3.04 -1.93 -1.74 116.94 117.53 1nhn h PHE 13 Ca 0.00 -0.60 0.05 0.00 3.98 0.00 0.00 57.97 61.40 1nhn h PHE 13 Cb 0.53 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.91 1nhn h PHE 13 CO 0.00 1.45 -0.24 -0.07 -2.02 0.00 0.00 178.31 177.43 1nhn h LEU 14 N 0.15 -0.74 -0.67 0.59 -0.00 -1.91 -0.70 115.31 112.03 1nhn h LEU 14 Ca -0.18 0.12 0.11 0.00 -0.00 0.00 0.00 57.88 57.93 1nhn h LEU 14 Cb 1.87 0.33 -0.08 0.00 -0.00 0.00 0.00 40.66 42.78 1nhn h LEU 14 CO 0.22 -0.29 0.25 0.15 -0.00 0.00 0.00 178.44 178.78 1nhn h PHE 15 N -0.31 0.44 0.00 1.13 3.57 -1.62 -0.72 116.94 119.43 1nhn h PHE 15 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1nhn h PHE 15 Cb 0.45 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1nhn h PHE 15 CO -0.34 0.09 0.00 0.00 -2.23 0.00 0.00 178.31 175.83 1nhn h SER 17 N 0.00 0.06 0.84 0.00 0.87 0.10 -2.03 113.55 113.39 1nhn h SER 17 Ca 0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1nhn h SER 17 Cb 0.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1nhn h SER 17 CO 0.00 1.44 0.00 -0.33 -0.53 0.00 0.00 176.83 177.41 1nhn h GLU 18 N -0.88 0.00 0.00 2.24 5.08 -1.43 -3.32 114.58 116.28 1nhn h GLU 18 Ca -0.29 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 1nhn h GLU 18 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1nhn h GLU 18 CO -0.13 0.00 -1.70 0.66 -1.00 0.00 0.00 179.01 176.84 1nhn n TYR 19 N -2.36 0.00 -0.32 4.33 4.02 -0.91 -4.57 117.16 117.34 1nhn n TYR 19 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.83 1nhn n TYR 19 Cb 0.26 -0.48 -0.08 0.00 -0.02 0.00 0.00 39.34 39.02 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 -2.72 -0.34 0.00 -0.72 1.74 -0.76 -0.06 116.66 113.80 1nhn n ARG 20 Ca -0.20 1.23 0.11 0.00 -0.77 0.00 0.00 57.85 58.22 1nhn n ARG 20 Cb 0.76 -1.81 0.58 0.00 -1.02 0.00 0.00 32.46 30.97 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 -4.86 0.42 -0.08 5.56 -0.04 -1.26 -0.66 135.00 134.08 1nhn n PRO 21 Ca 0.02 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1nhn n PRO 21 Cb 0.20 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.00 0.00 -0.13 0.54 3.11 -0.72 -2.34 116.57 117.03 1nhn h LYS 22 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1nhn h LYS 22 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1nhn h LYS 22 CO 0.00 0.56 -0.26 -0.84 -2.81 0.00 0.00 179.45 176.10 1nhn h ILE 23 N -1.00 1.37 -0.25 2.00 3.07 -1.40 -2.62 117.51 118.68 1nhn h ILE 23 Ca -0.14 -1.53 0.04 0.00 1.55 0.00 0.00 64.86 64.78 1nhn h ILE 23 Cb 0.83 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.42 1nhn h ILE 23 CO -0.08 0.45 0.17 0.50 -1.05 0.00 0.00 178.15 178.14 1nhn h LYS 24 N -0.01 0.16 -1.00 0.16 3.64 -1.06 1.01 116.57 119.47 1nhn h LYS 24 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1nhn h LYS 24 Cb 0.85 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1nhn h LYS 24 CO 0.06 0.11 0.65 0.78 -2.27 0.00 0.00 179.45 178.78 1nhn h GLY 25 N 0.17 1.48 1.10 5.01 0.00 -1.04 -0.61 103.07 109.17 1nhn h GLY 25 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1nhn h GLY 25 CO -0.02 0.41 -0.85 0.83 0.00 0.00 0.00 176.54 176.91 1nhn h GLU 26 N 1.24 0.00 -2.27 4.80 4.39 -0.63 -3.39 114.58 118.72 1nhn h GLU 26 Ca 0.41 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.49 1nhn h GLU 26 Cb 0.04 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.28 1nhn h GLU 26 CO -0.14 0.00 -0.47 0.72 -1.16 0.00 0.00 179.01 177.97 1nhn n HIS 27 N -2.58 3.70 -0.12 4.33 8.25 0.32 -4.83 115.22 124.30 1nhn n HIS 27 Ca 0.01 -3.95 -0.05 0.00 -0.26 0.00 0.00 57.72 53.47 1nhn n HIS 27 Cb 0.52 -0.60 0.02 0.00 1.12 0.00 0.00 29.99 31.06 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 0.42 1.26 0.00 -0.41 -0.04 -0.64 -2.95 135.00 132.64 1nhn n PRO 28 Ca 0.31 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1nhn n PRO 28 Cb 0.39 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 3.03 0.55 0.00 -1.26 -5.09 105.19 103.14 1nhn n GLY 29 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1nhn n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nhn n LEU 30 N -1.01 0.00 -4.70 0.99 4.77 -1.15 -5.11 117.00 110.79 1nhn n LEU 30 Ca 0.00 -1.28 -0.26 0.00 -0.03 0.00 0.00 56.01 54.44 1nhn n LEU 30 Cb 0.14 -0.72 -0.09 0.00 -2.33 0.00 0.00 43.42 40.43 1nhn n LEU 30 CO 0.00 -1.15 -0.21 -0.44 -1.33 0.00 0.00 177.39 174.27 1nhn s SER 31 N -4.65 4.24 -0.12 -1.43 0.01 -1.26 -4.97 113.70 105.52 1nhn s SER 31 Ca 0.57 -1.17 0.07 0.00 1.31 0.00 0.00 55.95 56.73 1nhn s SER 31 Cb -0.02 -0.46 0.40 0.00 0.21 0.00 0.00 66.02 66.15 1nhn s SER 31 CO 0.40 -0.50 1.11 0.00 0.41 0.00 0.00 173.24 174.66 1nhn n ILE 32 N -1.14 1.36 0.00 1.44 3.06 -1.26 -1.36 119.36 121.46 1nhn n ILE 32 Ca -0.02 -0.68 0.00 0.00 -2.50 0.00 0.00 62.75 59.54 1nhn n ILE 32 Cb 0.65 -0.40 0.00 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 0.29 0.00 0.17 4.50 0.00 -1.26 -4.36 105.19 104.53 1nhn n GLY 33 Ca 0.14 0.00 -0.25 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 -1.61 1.92 0.17 1.61 2.03 -1.01 -2.20 116.55 117.46 1nhn n ASP 34 Ca 0.00 0.20 0.06 0.00 0.52 0.00 0.00 54.79 55.56 1nhn n ASP 34 Cb 0.25 -0.67 0.53 0.00 -0.72 0.00 0.00 41.12 40.52 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 -0.68 1.07 -0.12 5.18 3.04 -1.53 0.33 116.25 123.54 1nhn h VAL 35 Ca -0.64 -0.22 -0.20 0.00 -1.01 0.00 0.00 66.70 64.63 1nhn h VAL 35 Cb 1.66 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1nhn h VAL 35 CO -0.32 0.08 -0.74 0.00 -1.01 0.00 0.00 177.57 175.58 1nhn h ALA 36 N 1.86 0.48 -0.14 3.17 0.00 -1.73 -2.34 119.26 120.55 1nhn h ALA 36 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1nhn h ALA 36 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nhn h ALA 36 CO -0.00 0.72 0.05 -0.22 0.00 0.00 0.00 179.25 179.80 1nhn h LYS 37 N 0.40 0.21 -0.12 0.00 1.63 0.01 0.14 116.57 118.84 1nhn h LYS 37 Ca -0.04 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1nhn h LYS 37 Cb 1.34 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.87 1nhn h LYS 37 CO 0.14 0.32 -0.29 0.87 -3.45 0.00 0.00 179.45 177.04 1nhn h LYS 38 N 0.06 -0.36 -0.22 1.90 1.57 -0.74 0.11 116.57 118.90 1nhn h LYS 38 Ca 0.05 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1nhn h LYS 38 Cb 0.19 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1nhn h LYS 38 CO -0.00 -0.24 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.43 1nhn h LEU 39 N -0.37 -0.45 -1.08 2.94 3.38 -1.24 0.12 115.31 118.60 1nhn h LEU 39 Ca 0.09 0.10 0.39 0.00 0.09 0.00 0.00 57.88 58.56 1nhn h LEU 39 Cb 0.51 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 1nhn h LEU 39 CO -0.33 -0.18 0.67 0.61 0.09 0.00 0.00 178.44 179.30 1nhn n GLY 40 N -1.30 -0.70 0.07 0.83 0.00 0.47 -1.21 105.19 103.35 1nhn n GLY 40 Ca -0.01 0.67 -0.05 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.59 0.45 -0.35 1.61 -0.58 -0.17 -4.44 120.64 112.57 1nhn n GLU 41 Ca 0.34 0.50 0.30 0.00 -0.42 0.00 0.00 57.16 57.89 1nhn n GLU 41 Cb 1.27 -1.65 0.57 0.00 -0.57 0.00 0.00 31.44 31.05 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nhn h MET 42 N -0.98 0.12 -0.84 3.49 2.86 0.40 -0.34 114.93 119.65 1nhn h MET 42 Ca 0.00 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.80 1nhn h MET 42 Cb 0.53 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1nhn h MET 42 CO 0.00 0.08 0.55 2.35 1.06 0.00 0.00 176.91 180.95 1nhn h TRP 43 N 0.12 0.56 0.01 -0.22 2.91 -1.38 0.35 115.95 118.31 1nhn h TRP 43 Ca 0.81 0.02 -0.27 0.00 1.13 0.00 0.00 58.89 60.58 1nhn h TRP 43 Cb 2.14 -0.18 0.02 0.00 -0.51 0.00 0.00 29.16 30.64 1nhn h TRP 43 CO -0.01 0.19 -1.07 -0.91 -1.03 0.00 0.00 178.44 175.61 1nhn h ASN 44 N 0.46 0.90 -0.71 2.65 2.35 -1.29 -3.10 115.58 116.84 1nhn h ASN 44 Ca 0.42 -0.73 -0.45 0.00 -0.55 0.00 0.00 56.30 54.99 1nhn h ASN 44 Cb 0.95 -0.28 -0.21 0.00 0.05 0.00 0.00 38.32 38.84 1nhn h ASN 44 CO -0.16 1.54 0.58 0.59 -1.65 0.00 0.00 177.43 178.33 1nhn n ASN 45 N -3.84 6.11 0.00 5.81 3.02 0.08 -4.88 115.26 121.55 1nhn n ASN 45 Ca -0.11 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 1nhn n ASN 45 Cb 0.89 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.33 0.00 -0.93 3.41 5.66 1.00 -4.88 114.28 118.21 1nhn n THR 46 Ca 0.44 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.52 1nhn n THR 46 Cb 0.80 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.82 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 2.86 -0.43 1.79 0.00 -1.26 -4.96 120.51 115.51 1nhn n ALA 47 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1nhn n ALA 47 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.50 0.00 0.00 0.00 0.00 -1.26 -3.89 120.51 114.86 1nhn n ALA 48 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nhn n ALA 48 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 1.51 0.02 -0.24 0.00 -0.08 -1.26 -4.73 116.55 111.78 1nhn n ASP 49 Ca 0.00 -0.10 0.10 0.00 -1.51 0.00 0.00 54.79 53.27 1nhn n ASP 49 Cb 0.00 0.21 -0.05 0.00 2.34 0.00 0.00 41.12 43.61 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nhn n ASP 50 N -0.21 1.42 0.04 1.67 9.92 -1.25 -4.24 116.55 123.90 1nhn n ASP 50 Ca 0.00 -1.21 -0.18 0.00 -0.53 0.00 0.00 54.79 52.87 1nhn n ASP 50 Cb 0.00 0.73 -0.14 0.00 -0.64 0.00 0.00 41.12 41.07 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 1.16 0.25 -0.91 -1.24 1.57 -1.90 -3.36 116.57 112.15 1nhn h LYS 51 Ca 0.00 -0.43 0.15 0.00 -1.87 0.00 0.00 60.65 58.50 1nhn h LYS 51 Cb 0.58 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.89 1nhn h LYS 51 CO 0.00 1.11 -0.32 1.04 -0.57 0.00 0.00 179.45 180.71 1nhn n GLN 52 N -3.44 -0.17 0.48 3.15 1.13 -1.26 0.06 117.38 117.33 1nhn n GLN 52 Ca -0.22 1.41 -0.20 0.00 -1.94 0.00 0.00 57.00 56.04 1nhn n GLN 52 Cb 1.05 -2.09 -0.10 0.00 0.11 0.00 0.00 30.24 29.21 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 -1.23 -0.89 -1.09 0.13 -1.82 -1.45 132.00 125.64 1nhn h PRO 53 Ca 0.35 0.08 0.24 0.00 -0.87 0.00 0.00 66.00 65.81 1nhn h PRO 53 Cb 0.58 0.28 -0.15 0.00 0.13 0.00 0.00 31.00 31.84 1nhn h PRO 53 CO -0.91 -0.82 0.19 1.88 -0.23 0.00 0.00 178.00 178.10 1nhn h TYR 54 N -1.28 0.26 0.34 1.56 0.05 -1.18 -1.13 116.97 115.59 1nhn h TYR 54 Ca -0.12 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1nhn h TYR 54 Cb 1.00 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.78 1nhn h TYR 54 CO -0.05 -0.26 -0.17 0.93 -1.05 0.00 0.00 178.16 177.56 1nhn h GLU 55 N 0.15 -0.45 -1.56 4.88 4.39 -0.27 0.72 114.58 122.44 1nhn h GLU 55 Ca 0.56 0.03 0.50 0.00 0.34 0.00 0.00 59.36 60.78 1nhn h GLU 55 Cb 1.13 0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 29.77 1nhn h GLU 55 CO -0.71 -0.30 1.06 0.87 -1.16 0.00 0.00 179.01 178.77 1nhn h LYS 56 N -0.48 0.02 0.07 2.33 1.57 -0.13 0.27 116.57 120.23 1nhn h LYS 56 Ca -0.05 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1nhn h LYS 56 Cb 0.35 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1nhn h LYS 56 CO 0.08 0.01 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.72 1nhn h LYS 57 N 0.02 -0.09 -0.92 3.15 1.63 -0.94 -2.27 116.57 117.15 1nhn h LYS 57 Ca 0.88 0.01 0.25 0.00 -0.85 0.00 0.00 60.65 60.94 1nhn h LYS 57 Cb 3.08 0.02 -0.14 0.00 -0.60 0.00 0.00 32.23 34.59 1nhn h LYS 57 CO -0.29 -0.06 0.39 0.00 -3.45 0.00 0.00 179.45 176.04 1nhn h ALA 58 N -1.67 1.52 0.64 5.00 0.00 0.23 -0.32 119.26 124.66 1nhn h ALA 58 Ca -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nhn h ALA 58 Cb 0.07 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nhn h ALA 58 CO 0.02 -0.43 -0.31 0.00 0.00 0.00 0.00 179.25 178.53 1nhn h ALA 59 N 1.77 -0.86 -0.66 0.00 0.00 -0.63 -0.73 119.26 118.16 1nhn h ALA 59 Ca 0.60 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.45 1nhn h ALA 59 Cb 1.23 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 19.23 1nhn h ALA 59 CO -0.59 -0.97 -0.10 -0.22 0.00 0.00 0.00 179.25 177.37 1nhn h LYS 60 N -0.89 0.04 0.32 0.00 3.64 -0.46 -0.19 116.57 119.03 1nhn h LYS 60 Ca -0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1nhn h LYS 60 Cb 0.67 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1nhn h LYS 60 CO 0.14 0.03 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.12 1nhn h LEU 61 N 0.04 -0.37 -1.36 5.20 3.38 -1.19 -0.65 115.31 120.37 1nhn h LEU 61 Ca 0.33 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1nhn h LEU 61 Cb 0.53 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1nhn h LEU 61 CO -0.64 -0.05 0.11 0.07 0.09 0.00 0.00 178.44 178.03 1nhn h LYS 62 N -0.71 0.54 0.64 1.13 2.10 -0.87 -1.41 116.57 117.99 1nhn h LYS 62 Ca -0.04 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.49 1nhn h LYS 62 Cb 0.49 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1nhn h LYS 62 CO 0.07 0.48 -0.31 1.49 -2.00 0.00 0.00 179.45 179.19 1nhn h GLU 63 N 0.54 -0.82 -0.99 0.07 4.22 -1.04 -1.56 114.58 114.99 1nhn h GLU 63 Ca 0.13 0.06 0.15 0.00 0.08 0.00 0.00 59.36 59.78 1nhn h GLU 63 Cb 0.18 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 29.45 1nhn h GLU 63 CO -0.01 -0.55 -0.39 1.17 -2.18 0.00 0.00 179.01 177.05 1nhn n LYS 64 N -4.61 -0.24 0.00 1.92 4.81 -0.25 -2.20 118.16 117.58 1nhn n LYS 64 Ca -0.11 1.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.86 1nhn n LYS 64 Cb 0.34 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.13 1nhn n LYS 64 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1nhn n TYR 65 N -5.45 0.00 -0.69 5.64 4.19 -0.56 -1.04 117.16 119.25 1nhn n TYR 65 Ca 0.10 0.00 0.52 0.00 3.31 0.00 0.00 57.90 61.83 1nhn n TYR 65 Cb 0.39 -0.25 0.81 0.00 0.49 0.00 0.00 39.34 40.79 1nhn n TYR 65 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1nhn h GLU 66 N 0.00 0.00 0.01 2.98 5.08 -0.79 0.43 114.58 122.28 1nhn h GLU 66 Ca 0.00 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1nhn h GLU 66 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nhn h GLU 66 CO 0.00 0.00 -0.57 0.87 -1.00 0.00 0.00 179.01 178.31 1nhn h LYS 67 N 0.00 0.01 0.00 2.33 6.56 -1.13 -2.67 116.57 121.67 1nhn h LYS 67 Ca 0.94 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.51 1nhn h LYS 67 Cb 3.70 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 35.37 1nhn h LYS 67 CO -0.05 1.01 0.00 -3.47 -2.06 0.00 0.00 179.45 174.87 1nhn n ASP 68 N -4.51 0.75 -0.05 0.86 2.03 -0.21 -1.51 116.55 113.92 1nhn n ASP 68 Ca -0.20 0.60 -0.21 0.00 0.52 0.00 0.00 54.79 55.50 1nhn n ASP 68 Cb 0.58 -0.79 -0.13 0.00 -0.72 0.00 0.00 41.12 40.06 1nhn n ASP 68 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1nhn h ILE 69 N 0.00 0.93 -0.36 5.18 -0.00 -0.34 -2.38 117.51 120.54 1nhn h ILE 69 Ca 0.00 -2.27 0.08 0.00 -0.00 0.00 0.00 64.86 62.67 1nhn h ILE 69 Cb 0.63 2.46 -0.02 0.00 -0.00 0.00 0.00 36.82 39.90 1nhn h ILE 69 CO 0.00 0.54 0.25 0.00 -0.00 0.00 0.00 178.15 178.94 1nhn h ALA 70 N -0.24 2.19 0.01 0.18 0.00 -1.38 0.71 119.26 120.72 1nhn h ALA 70 Ca -0.33 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1nhn h ALA 70 Cb 1.55 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1nhn h ALA 70 CO -0.07 -0.28 -0.88 0.00 0.00 0.00 0.00 179.25 178.01 1nhn h ALA 71 N 1.82 0.54 0.00 0.00 0.00 -1.31 -0.69 119.26 119.62 1nhn h ALA 71 Ca 0.17 -0.78 -0.19 0.00 0.00 0.00 0.00 54.91 54.11 1nhn h ALA 71 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nhn h ALA 71 CO -0.02 1.04 -0.90 -0.92 0.00 0.00 0.00 179.25 178.45 1nhn h TYR 72 N 0.03 0.00 0.15 0.00 3.20 -0.41 -3.04 116.97 116.90 1nhn h TYR 72 Ca -0.02 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.51 1nhn h TYR 72 Cb 1.54 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.81 1nhn h TYR 72 CO 0.01 0.90 -1.69 -0.09 -1.64 0.00 0.00 178.16 175.65 1nhn h ARG 73 N 0.00 0.32 -1.51 1.82 2.43 -1.04 -3.34 114.38 113.06 1nhn h ARG 73 Ca -0.01 -0.55 -0.67 0.00 -0.81 0.00 0.00 59.98 57.95 1nhn h ARG 73 Cb 1.62 0.20 -0.26 0.00 -0.42 0.00 0.00 29.97 31.12 1nhn h ARG 73 CO 0.12 1.21 0.87 0.00 -1.51 0.00 0.00 179.97 180.65 1nhn n ALA 74 N -2.79 6.32 1.22 2.80 0.00 -0.27 -4.47 120.51 123.32 1nhn n ALA 74 Ca -0.22 -3.52 0.03 0.00 0.00 0.00 0.00 53.44 49.74 1nhn n ALA 74 Cb 1.06 -1.86 0.10 0.00 0.00 0.00 0.00 19.45 18.75 1nhn n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nhn n LYS 75 N -0.50 1.57 0.05 0.00 3.00 -1.15 -3.46 118.16 117.67 1nhn n LYS 75 Ca 0.55 -0.79 -0.21 0.00 -0.00 0.00 0.00 58.31 57.87 1nhn n LYS 75 Cb 0.48 -1.23 -0.15 0.00 0.00 0.00 0.00 35.03 34.13 1nhn n LYS 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1nhn h GLY 76 N 5.44 0.34 -0.07 3.14 0.00 -1.89 -3.40 103.07 106.63 1nhn h GLY 76 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 47.33 46.46 1nhn h GLY 76 CO 0.02 0.77 -0.04 0.28 0.00 0.00 0.00 176.54 177.57 1nhn n LYS 77 N -4.07 -0.03 -0.29 4.80 5.02 -1.22 0.58 118.16 122.95 1nhn n LYS 77 Ca -0.16 0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 1nhn n LYS 77 Cb 0.85 -0.20 0.11 0.00 -0.02 0.00 0.00 35.03 35.77 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 0.00 0.92 -0.86 1.97 0.13 -1.88 -0.88 132.00 131.40 1nhn h PRO 78 Ca 0.01 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1nhn h PRO 78 Cb 0.03 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 30.93 1nhn h PRO 78 CO -0.07 0.61 0.04 -3.47 -0.23 0.00 0.00 178.00 174.88 1nhn n ASP 79 N -4.63 2.90 -3.13 1.44 2.03 0.20 -3.75 116.55 111.61 1nhn n ASP 79 Ca 0.10 -2.40 -0.17 0.00 0.52 0.00 0.00 54.79 52.84 1nhn n ASP 79 Cb 0.12 -0.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.92 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 0.18 1.68 -0.04 -1.67 0.00 -0.33 -5.01 120.51 115.31 1nhn n ALA 80 Ca 0.13 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1nhn n ALA 80 Cb 0.67 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50