#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 -0.41 -0.80 -2.53 0.00 -1.26 -4.77 120.51 110.74 1nhn n ALA 4 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 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 -0.05 0.00 -3.77 0.00 -0.02 -1.26 -4.99 135.00 124.91 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 -0.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.66 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 -0.85 1.14 0.00 -0.52 -2.85 -1.26 -5.05 119.74 110.34 1nhn s LYS 6 Ca 0.36 -1.69 0.00 0.00 -1.00 0.00 0.00 55.97 53.64 1nhn s LYS 6 Cb -0.28 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1nhn s LYS 6 CO 0.48 -1.07 0.00 0.54 0.10 0.00 0.00 175.35 175.40 1nhn n ARG 7 N 4.07 0.00 -0.44 1.78 1.74 -1.26 -4.92 116.66 117.63 1nhn n ARG 7 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1nhn n ARG 7 Cb 0.38 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 32.10 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 0.00 -2.46 1.01 5.56 0.02 -1.26 -4.98 135.00 132.89 1nhn s PRO 8 Ca 0.00 0.27 -0.17 0.00 0.02 0.00 0.00 61.00 61.12 1nhn s PRO 8 Cb 0.00 -1.42 -0.03 0.00 0.02 0.00 0.00 34.50 33.07 1nhn s PRO 8 CO 0.00 -4.60 -0.28 -0.35 -0.33 0.00 0.00 177.00 171.44 1nhn n PRO 9 N -5.45 -0.48 -0.57 5.54 -0.04 -1.26 -4.86 135.00 127.88 1nhn n PRO 9 Ca 0.10 -0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1nhn n PRO 9 Cb 0.59 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.52 1.19 0.00 3.54 7.64 -1.26 -4.61 113.62 120.63 1nhn n SER 10 Ca 0.02 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1nhn n SER 10 Cb 0.59 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.53 0.00 0.17 -0.43 0.00 -1.26 -4.53 120.51 113.92 1nhn n ALA 11 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1nhn n ALA 11 Cb 0.76 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.45 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 -0.38 0.00 3.57 -1.94 -3.19 116.94 115.01 1nhn h PHE 12 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1nhn h PHE 12 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1nhn h PHE 12 CO 0.00 0.46 -0.02 0.35 -2.23 0.00 0.00 178.31 176.88 1nhn h PHE 13 N 0.00 0.75 0.24 0.41 3.04 -1.92 0.10 116.94 119.56 1nhn h PHE 13 Ca -0.00 -0.14 0.01 0.00 3.98 0.00 0.00 57.97 61.82 1nhn h PHE 13 Cb 1.06 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.35 1nhn h PHE 13 CO 0.00 0.78 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.63 1nhn h LEU 14 N 0.50 -1.06 -0.66 0.59 -0.00 -1.93 -1.55 115.31 111.21 1nhn h LEU 14 Ca 0.11 0.11 0.14 0.00 -0.00 0.00 0.00 57.88 58.23 1nhn h LEU 14 Cb 0.49 0.38 -0.11 0.00 -0.00 0.00 0.00 40.66 41.42 1nhn h LEU 14 CO 0.02 -0.48 -0.02 0.15 -0.00 0.00 0.00 178.44 178.10 1nhn h PHE 15 N -0.68 -0.09 -0.06 1.13 3.57 -1.54 -1.66 116.94 117.60 1nhn h PHE 15 Ca 0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1nhn h PHE 15 Cb 0.66 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 1nhn h PHE 15 CO -0.28 -0.20 -0.32 0.00 -2.23 0.00 0.00 178.31 175.29 1nhn h SER 17 N -0.43 -1.38 -1.01 0.00 0.87 -0.38 0.23 113.55 111.45 1nhn h SER 17 Ca 0.08 0.18 0.28 0.00 -1.23 0.00 0.00 61.79 61.11 1nhn h SER 17 Cb 0.55 0.57 -0.05 0.00 -0.44 0.00 0.00 62.40 63.02 1nhn h SER 17 CO -0.30 -0.42 0.71 -0.33 -0.53 0.00 0.00 176.83 175.96 1nhn h GLU 18 N -0.48 0.08 0.00 2.24 5.08 -1.13 -3.20 114.58 117.17 1nhn h GLU 18 Ca 0.08 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 1nhn h GLU 18 Cb 0.63 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1nhn h GLU 18 CO -0.43 0.05 -1.86 0.66 -1.00 0.00 0.00 179.01 176.43 1nhn n TYR 19 N -4.30 0.00 -0.16 4.33 4.01 -0.87 -4.71 117.16 115.46 1nhn n TYR 19 Ca 0.22 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.92 1nhn n TYR 19 Cb 1.03 -0.59 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 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 -2.81 -0.16 0.17 -0.72 1.74 0.76 -0.11 116.66 115.53 1nhn n ARG 20 Ca -0.25 0.89 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1nhn n ARG 20 Cb 0.82 -1.32 0.60 0.00 -1.02 0.00 0.00 32.46 31.53 1nhn n ARG 20 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1nhn h PRO 21 N 0.00 0.00 0.00 5.56 0.13 -1.84 0.24 132.00 136.09 1nhn h PRO 21 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1nhn h PRO 21 Cb 0.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 1nhn h PRO 21 CO -0.35 0.00 -0.12 -0.22 -0.23 0.00 0.00 178.00 177.08 1nhn h LYS 22 N 0.00 0.00 0.03 0.86 3.64 -0.79 -2.93 116.57 117.38 1nhn h LYS 22 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nhn h LYS 22 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1nhn h LYS 22 CO 0.00 0.84 -0.02 -0.84 -2.27 0.00 0.00 179.45 177.17 1nhn h ILE 23 N -1.00 1.27 -0.91 2.00 3.07 -1.14 -2.99 117.51 117.81 1nhn h ILE 23 Ca -0.03 -0.99 0.29 0.00 1.55 0.00 0.00 64.86 65.67 1nhn h ILE 23 Cb 0.88 1.93 -0.17 0.00 -0.27 0.00 0.00 36.82 39.19 1nhn h ILE 23 CO -0.02 0.25 0.15 1.17 -1.05 0.00 0.00 178.15 178.65 1nhn n LYS 24 N -4.90 -0.07 -0.05 0.16 4.81 0.81 0.74 118.16 119.66 1nhn n LYS 24 Ca -0.08 1.33 -0.10 0.00 -0.87 0.00 0.00 58.31 58.58 1nhn n LYS 24 Cb 0.23 -2.18 -0.04 0.00 0.02 0.00 0.00 35.03 33.06 1nhn n LYS 24 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1nhn h GLY 25 N 0.00 0.29 0.00 3.14 0.00 -1.38 -3.42 103.07 101.71 1nhn h GLY 25 Ca 0.61 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 1nhn h GLY 25 CO -0.81 0.13 -1.22 -1.84 0.00 0.00 0.00 176.54 172.80 1nhn n GLU 26 N -4.89 0.08 0.00 4.80 0.28 0.23 -5.04 120.64 116.10 1nhn n GLU 26 Ca -0.04 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1nhn n GLU 26 Cb 0.07 -0.64 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1nhn n GLU 26 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1nhn n HIS 27 N -3.17 0.00 -1.52 -1.84 1.44 0.14 -4.68 115.22 105.58 1nhn n HIS 27 Ca -0.08 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.26 1nhn n HIS 27 Cb 0.55 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 1nhn n HIS 27 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1nhn n PRO 28 N 0.00 1.53 0.00 -1.40 -0.04 -1.26 -0.86 135.00 132.97 1nhn n PRO 28 Ca 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1nhn n PRO 28 Cb 0.00 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.21 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 5.06 0.02 3.84 0.55 0.00 -1.26 -5.16 105.19 108.24 1nhn n GLY 29 Ca 0.48 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 2.78 0.00 0.99 1.43 -0.04 -5.04 118.68 118.80 1nhn s LEU 30 Ca 0.00 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1nhn s LEU 30 Cb 0.00 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.98 1nhn s LEU 30 CO 0.00 -0.91 0.00 -1.20 0.23 0.00 0.00 176.35 174.47 1nhn n SER 31 N -1.56 0.40 -1.15 2.29 7.64 -1.26 -4.92 113.62 115.06 1nhn n SER 31 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.95 1nhn n SER 31 Cb 0.65 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.00 0.71 -0.01 0.44 0.13 -1.26 -1.52 119.36 117.85 1nhn n ILE 32 Ca 0.00 -0.86 -0.00 0.00 -1.10 0.00 0.00 62.75 60.79 1nhn n ILE 32 Cb 0.00 0.77 -0.04 0.00 -0.84 0.00 0.00 39.64 39.53 1nhn n ILE 32 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1nhn n GLY 33 N 1.42 -0.25 0.13 4.50 0.00 -1.26 -4.22 105.19 105.51 1nhn n GLY 33 Ca 0.20 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.96 1.97 -0.26 1.61 -0.08 -1.23 -2.89 116.55 113.70 1nhn n ASP 34 Ca -0.05 0.12 0.14 0.00 -1.51 0.00 0.00 54.79 53.48 1nhn n ASP 34 Cb 0.42 -0.64 0.41 0.00 2.34 0.00 0.00 41.12 43.65 1nhn n ASP 34 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1nhn h VAL 35 N -0.48 0.79 0.16 5.18 2.07 -1.54 0.76 116.25 123.18 1nhn h VAL 35 Ca -0.62 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1nhn h VAL 35 Cb 1.76 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1nhn h VAL 35 CO -0.23 0.11 -0.08 0.00 0.02 0.00 0.00 177.57 177.39 1nhn h ALA 36 N 1.61 -0.21 0.00 1.67 0.00 -1.73 0.21 119.26 120.80 1nhn h ALA 36 Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1nhn h ALA 36 Cb 0.84 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nhn h ALA 36 CO -0.21 -0.53 0.00 0.87 0.00 0.00 0.00 179.25 179.38 1nhn h LYS 37 N -0.39 0.00 0.00 0.00 1.57 -0.70 -0.44 116.57 116.61 1nhn h LYS 37 Ca -0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1nhn h LYS 37 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1nhn h LYS 37 CO 0.04 0.00 -0.24 0.87 -0.57 0.00 0.00 179.45 179.54 1nhn h LYS 38 N 0.00 0.00 -0.27 3.15 1.79 0.66 -2.47 116.57 119.43 1nhn h LYS 38 Ca 0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1nhn h LYS 38 Cb 0.62 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1nhn h LYS 38 CO 0.00 0.88 0.12 -0.07 -1.08 0.00 0.00 179.45 179.30 1nhn h LEU 39 N -1.00 0.17 -1.03 2.94 3.38 -0.98 0.16 115.31 118.94 1nhn h LEU 39 Ca -0.06 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.33 1nhn h LEU 39 Cb 0.94 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 1nhn h LEU 39 CO -0.04 0.13 0.59 0.61 0.09 0.00 0.00 178.44 179.82 1nhn n GLY 40 N -1.18 -0.73 0.09 0.83 0.00 -0.18 -1.44 105.19 102.58 1nhn n GLY 40 Ca -0.01 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 -4.98 0.50 -0.35 1.61 -0.58 -0.14 -4.42 120.64 112.28 1nhn n GLU 41 Ca 0.36 0.51 0.27 0.00 -0.42 0.00 0.00 57.16 57.88 1nhn n GLU 41 Cb 1.28 -1.69 0.52 0.00 -0.57 0.00 0.00 31.44 30.98 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 -1.00 0.26 -0.80 3.49 2.86 0.04 -0.18 114.93 119.60 1nhn h MET 42 Ca -0.14 -0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.68 1nhn h MET 42 Cb 0.84 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 1nhn h MET 42 CO -0.09 0.17 0.55 2.35 1.06 0.00 0.00 176.91 180.96 1nhn h TRP 43 N 0.27 0.29 0.24 -0.22 2.91 -1.46 0.44 115.95 118.42 1nhn h TRP 43 Ca 0.74 0.01 -0.33 0.00 1.13 0.00 0.00 58.89 60.45 1nhn h TRP 43 Cb 1.86 -0.09 0.03 0.00 -0.51 0.00 0.00 29.16 30.46 1nhn h TRP 43 CO -0.01 0.09 -1.46 -0.91 -1.03 0.00 0.00 178.44 175.12 1nhn h ASN 44 N 0.23 0.79 -0.56 2.65 2.35 -1.26 -3.22 115.58 116.56 1nhn h ASN 44 Ca 0.40 -0.92 -0.35 0.00 -0.55 0.00 0.00 56.30 54.87 1nhn h ASN 44 Cb 1.21 -0.26 -0.17 0.00 0.05 0.00 0.00 38.32 39.16 1nhn h ASN 44 CO -0.09 1.70 0.45 0.59 -1.65 0.00 0.00 177.43 178.43 1nhn n ASN 45 N -3.75 5.55 -0.20 5.81 3.02 0.31 -4.85 115.26 121.15 1nhn n ASN 45 Ca -0.18 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1nhn n ASN 45 Cb 1.08 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.06 0.00 -1.20 3.41 5.66 0.13 -4.88 114.28 117.35 1nhn n THR 46 Ca 0.35 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.33 1nhn n THR 46 Cb 0.79 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.81 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 4.01 -0.62 1.79 0.00 -1.26 -4.95 120.51 116.48 1nhn n ALA 47 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.76 1nhn n ALA 47 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.73 -0.09 0.00 0.00 0.00 -1.26 -3.71 120.51 114.71 1nhn n ALA 48 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nhn n ALA 48 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 0.17 1.19 -0.04 0.00 9.92 -1.26 -4.74 116.55 121.79 1nhn n ASP 49 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1nhn n ASP 49 Cb 0.05 0.15 0.49 0.00 -0.64 0.00 0.00 41.12 41.17 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 -0.71 0.32 0.10 -2.24 8.00 -1.24 -3.54 116.55 117.24 1nhn n ASP 50 Ca 0.00 -0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 1nhn n ASP 50 Cb 0.08 -0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.19 0.45 -0.83 -1.24 1.57 -1.89 -3.36 116.57 111.46 1nhn h LYS 51 Ca 0.00 -0.77 0.14 0.00 -1.87 0.00 0.00 60.65 58.15 1nhn h LYS 51 Cb 0.46 0.29 -0.14 0.00 0.08 0.00 0.00 32.23 32.91 1nhn h LYS 51 CO 0.00 1.37 -0.29 1.04 -0.57 0.00 0.00 179.45 181.00 1nhn n GLN 52 N -3.75 -0.16 0.31 3.15 3.00 -1.23 -0.18 117.38 118.52 1nhn n GLN 52 Ca -0.20 1.28 -0.15 0.00 -0.01 0.00 0.00 57.00 57.93 1nhn n GLN 52 Cb 1.05 -1.90 -0.07 0.00 0.00 0.00 0.00 30.24 29.31 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 -0.85 -0.91 -1.09 0.13 -1.78 -2.28 132.00 125.21 1nhn h PRO 53 Ca 0.32 0.06 0.20 0.00 -0.87 0.00 0.00 66.00 65.70 1nhn h PRO 53 Cb 0.53 0.19 -0.17 0.00 0.13 0.00 0.00 31.00 31.68 1nhn h PRO 53 CO -0.83 -0.57 -0.17 1.88 -0.23 0.00 0.00 178.00 178.08 1nhn h TYR 54 N -0.88 -0.38 0.15 1.56 0.05 -1.28 -1.98 116.97 114.22 1nhn h TYR 54 Ca -0.08 0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1nhn h TYR 54 Cb 0.71 0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 1nhn h TYR 54 CO -0.07 -0.39 -0.13 0.93 -1.05 0.00 0.00 178.16 177.46 1nhn h GLU 55 N 0.01 -0.26 -1.50 4.88 4.39 -0.51 0.09 114.58 121.67 1nhn h GLU 55 Ca 0.46 0.02 0.44 0.00 0.34 0.00 0.00 59.36 60.62 1nhn h GLU 55 Cb 0.76 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.40 1nhn h GLU 55 CO -0.91 -0.18 1.07 0.87 -1.16 0.00 0.00 179.01 178.70 1nhn h LYS 56 N -0.27 0.03 0.03 2.33 1.57 -0.77 0.16 116.57 119.65 1nhn h LYS 56 Ca -0.02 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1nhn h LYS 56 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nhn h LYS 56 CO -0.00 0.02 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.66 1nhn h LYS 57 N 0.03 -0.04 -0.91 3.15 3.64 -1.00 -2.85 116.57 118.58 1nhn h LYS 57 Ca 0.74 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 60.35 1nhn h LYS 57 Cb 2.85 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 34.56 1nhn h LYS 57 CO -0.08 -0.03 0.43 0.00 -2.27 0.00 0.00 179.45 177.51 1nhn h ALA 58 N -1.77 1.49 0.07 5.00 0.00 -0.39 -1.38 119.26 122.28 1nhn h ALA 58 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nhn h ALA 58 Cb 0.04 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nhn h ALA 58 CO 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 179.25 178.91 1nhn h ALA 59 N 1.70 -0.09 -0.32 0.00 0.00 -0.85 -0.33 119.26 119.38 1nhn h ALA 59 Ca 0.57 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.50 1nhn h ALA 59 Cb 1.07 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1nhn h ALA 59 CO -0.51 -0.53 0.03 -0.22 0.00 0.00 0.00 179.25 178.01 1nhn h LYS 60 N -0.12 0.12 0.08 0.00 3.11 -1.02 -0.27 116.57 118.47 1nhn h LYS 60 Ca -0.01 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1nhn h LYS 60 Cb 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1nhn h LYS 60 CO 0.02 0.08 -0.04 -0.07 -2.81 0.00 0.00 179.45 176.63 1nhn h LEU 61 N 0.13 -0.09 -1.06 5.20 3.38 -1.26 -2.04 115.31 119.57 1nhn h LEU 61 Ca 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1nhn h LEU 61 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1nhn h LEU 61 CO -0.23 0.15 -0.03 0.07 0.09 0.00 0.00 178.44 178.49 1nhn h LYS 62 N -0.33 0.63 0.49 1.13 2.10 -0.98 -1.88 116.57 117.73 1nhn h LYS 62 Ca -0.01 -0.16 -0.02 0.00 -2.00 0.00 0.00 60.65 58.46 1nhn h LYS 62 Cb 0.28 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1nhn h LYS 62 CO 0.02 0.68 -0.32 1.49 -2.00 0.00 0.00 179.45 179.31 1nhn h GLU 63 N 0.60 -0.74 -0.78 0.07 4.81 -0.99 -1.56 114.58 115.99 1nhn h GLU 63 Ca 0.12 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.58 1nhn h GLU 63 Cb 0.42 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.85 1nhn h GLU 63 CO 0.02 -0.49 0.15 -0.22 -0.73 0.00 0.00 179.01 177.73 1nhn h LYS 64 N -0.77 0.20 -0.03 1.92 3.11 -1.20 -1.74 116.57 118.06 1nhn h LYS 64 Ca -0.07 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1nhn h LYS 64 Cb 0.62 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.78 1nhn h LYS 64 CO 0.05 0.13 -0.29 -0.92 -2.81 0.00 0.00 179.45 175.62 1nhn h TYR 65 N 0.21 -0.85 -1.50 1.91 5.03 -0.96 -0.56 116.97 120.24 1nhn h TYR 65 Ca 0.45 0.03 0.49 0.00 2.58 0.00 0.00 58.73 62.28 1nhn h TYR 65 Cb 0.82 0.38 -0.12 0.00 1.55 0.00 0.00 36.73 39.35 1nhn h TYR 65 CO -0.31 -0.30 0.99 0.93 -1.32 0.00 0.00 178.16 178.16 1nhn h GLU 66 N -0.34 0.02 0.02 1.82 5.08 -0.36 0.29 114.58 121.12 1nhn h GLU 66 Ca 0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1nhn h GLU 66 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1nhn h GLU 66 CO -0.21 0.01 -0.01 0.87 -1.00 0.00 0.00 179.01 178.67 1nhn h LYS 67 N 0.02 -0.03 0.00 2.33 6.56 -1.04 -2.26 116.57 122.15 1nhn h LYS 67 Ca 0.88 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.46 1nhn h LYS 67 Cb 2.99 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 34.65 1nhn h LYS 67 CO -0.36 0.70 -0.05 0.22 -2.06 0.00 0.00 179.45 177.90 1nhn h ASP 68 N -0.91 0.00 0.01 0.86 3.58 0.38 -0.40 116.42 119.94 1nhn h ASP 68 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1nhn h ASP 68 Cb 0.74 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1nhn h ASP 68 CO 0.01 0.05 -0.15 -0.29 -2.88 0.00 0.00 179.24 175.97 1nhn h ILE 69 N 0.00 1.64 -0.88 2.25 -0.00 -0.57 -2.42 117.51 117.54 1nhn h ILE 69 Ca -0.00 -2.09 0.20 0.00 -0.00 0.00 0.00 64.86 62.96 1nhn h ILE 69 Cb 0.25 3.03 -0.06 0.00 -0.00 0.00 0.00 36.82 40.04 1nhn h ILE 69 CO 0.01 0.56 0.58 0.00 -0.00 0.00 0.00 178.15 179.30 1nhn h ALA 70 N 0.15 2.21 -0.08 0.18 0.00 -0.73 0.05 119.26 121.04 1nhn h ALA 70 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nhn h ALA 70 Cb 1.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nhn h ALA 70 CO 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 179.25 178.80 1nhn h ALA 71 N 1.61 0.10 -0.29 0.00 0.00 -0.97 -1.35 119.26 118.36 1nhn h ALA 71 Ca 0.45 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1nhn h ALA 71 Cb 1.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1nhn h ALA 71 CO -0.16 -0.20 -0.02 -0.92 0.00 0.00 0.00 179.25 177.94 1nhn h TYR 72 N -0.16 -0.06 -0.57 0.00 3.20 -0.52 0.24 116.97 119.09 1nhn h TYR 72 Ca 0.02 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1nhn h TYR 72 Cb 0.37 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1nhn h TYR 72 CO 0.04 -0.08 0.38 -0.09 -1.64 0.00 0.00 178.16 176.77 1nhn h ARG 73 N 0.06 0.59 -2.14 1.82 2.43 -1.24 -1.94 114.38 113.95 1nhn h ARG 73 Ca 0.14 -0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.74 1nhn h ARG 73 Cb 0.20 -0.13 -0.16 0.00 -0.42 0.00 0.00 29.97 29.46 1nhn h ARG 73 CO -0.26 0.39 0.82 0.00 -1.51 0.00 0.00 179.97 179.42 1nhn n ALA 74 N -2.47 6.54 -0.40 2.80 0.00 0.06 -4.97 120.51 122.08 1nhn n ALA 74 Ca 0.07 -3.22 -0.27 0.00 0.00 0.00 0.00 53.44 50.02 1nhn n ALA 74 Cb 0.18 -2.30 0.24 0.00 0.00 0.00 0.00 19.45 17.56 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 1.17 -3.45 -1.94 0.00 3.00 -0.73 -4.82 118.16 111.38 1nhn n LYS 75 Ca 0.52 -1.01 -0.41 0.00 -0.00 0.00 0.00 58.31 57.40 1nhn n LYS 75 Cb 0.50 -1.81 -0.00 0.00 0.00 0.00 0.00 35.03 33.72 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nhn n GLY 76 N 1.94 4.73 0.17 3.14 0.00 -1.26 -4.69 105.19 109.22 1nhn n GLY 76 Ca 0.08 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 1nhn n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nhn h LYS 77 N 5.36 0.52 -0.30 1.61 1.57 -1.97 -1.41 116.57 121.96 1nhn h LYS 77 Ca 0.60 -0.13 0.09 0.00 -1.87 0.00 0.00 60.65 59.33 1nhn h LYS 77 Cb 0.48 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1nhn h LYS 77 CO 1.67 0.60 0.73 -1.35 -0.57 0.00 0.00 179.45 180.52 1nhn h PRO 78 N 0.36 0.00 -4.23 3.15 0.11 -2.00 -3.26 132.00 126.13 1nhn h PRO 78 Ca 0.10 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.45 1nhn h PRO 78 Cb 0.32 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.20 1nhn h PRO 78 CO 0.00 0.00 0.70 0.34 -0.21 0.00 0.00 178.00 178.84 1nhn s ASP 79 N -4.00 7.01 -0.91 -2.05 -1.08 -0.53 -4.88 116.67 110.23 1nhn s ASP 79 Ca -0.02 -2.95 0.00 0.00 -0.52 0.00 0.00 52.55 49.06 1nhn s ASP 79 Cb 0.09 -2.30 0.30 0.00 -1.46 0.00 0.00 42.92 39.55 1nhn s ASP 79 CO 0.29 -0.62 1.34 0.00 0.52 0.00 0.00 175.17 176.70 1nhn n ALA 80 N 4.52 5.09 0.45 3.66 0.00 -1.23 -4.95 120.51 128.05 1nhn n ALA 80 Ca 0.25 -4.74 0.05 0.00 0.00 0.00 0.00 53.44 49.00 1nhn n ALA 80 Cb 0.44 -1.79 0.05 0.00 0.00 0.00 0.00 19.45 18.14 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50