#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hma n ASP 3 N 0.00 0.00 -4.66 4.04 8.00 -1.26 -5.01 116.55 117.67 1hma n ASP 3 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 54.79 54.96 1hma n ASP 3 Cb 0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1hma n ASP 3 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1hma n LYS 4 N -1.05 1.31 -1.85 -1.24 3.00 -1.26 -4.72 118.16 112.35 1hma n LYS 4 Ca 0.00 0.48 -0.30 0.00 -0.00 0.00 0.00 58.31 58.49 1hma n LYS 4 Cb 0.00 -2.16 0.06 0.00 0.00 0.00 0.00 35.03 32.93 1hma n LYS 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1hma s PRO 5 N 2.12 2.65 -0.64 1.64 0.04 -1.26 -4.97 135.00 134.58 1hma s PRO 5 Ca 0.91 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.11 1hma s PRO 5 Cb -0.96 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1hma s PRO 5 CO 0.55 -1.18 1.47 0.15 0.04 0.00 0.00 177.00 178.03 1hma s LYS 6 N -5.36 3.09 0.42 4.56 3.01 -1.26 -4.96 119.74 119.23 1hma s LYS 6 Ca 0.59 0.22 -0.24 0.00 -1.01 0.00 0.00 55.97 55.52 1hma s LYS 6 Cb -0.11 -4.21 -0.11 0.00 -1.01 0.00 0.00 37.83 32.39 1hma s LYS 6 CO 0.52 -2.22 0.95 0.54 0.51 0.00 0.00 175.35 175.65 1hma n ARG 7 N 9.08 1.24 -2.48 1.68 1.74 -1.26 -4.72 116.66 121.94 1hma n ARG 7 Ca 0.11 0.44 -0.39 0.00 -0.77 0.00 0.00 57.85 57.24 1hma n ARG 7 Cb 0.50 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 1hma n ARG 7 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hma s PRO 8 N -1.96 4.40 0.00 5.56 0.04 -1.26 -5.01 135.00 136.77 1hma s PRO 8 Ca 0.63 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1hma s PRO 8 Cb -0.57 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1hma s PRO 8 CO 0.57 0.02 0.00 1.47 0.04 0.00 0.00 177.00 179.10 1hma n LEU 9 N 0.61 0.00 -4.83 -3.56 -0.00 -1.26 -5.12 117.00 102.84 1hma n LEU 9 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.69 1hma n LEU 9 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.82 1hma n LEU 9 CO 0.50 0.00 0.50 -0.44 -0.00 0.00 0.00 177.39 177.96 1hma s SER 10 N -0.97 6.94 0.35 1.45 0.01 -1.26 -4.93 113.70 115.28 1hma s SER 10 Ca 0.00 1.47 0.03 0.00 1.31 0.00 0.00 55.95 58.76 1hma s SER 10 Cb 0.00 -2.45 0.63 0.00 0.21 0.00 0.00 66.02 64.42 1hma s SER 10 CO 0.00 -0.18 1.96 0.00 0.41 0.00 0.00 173.24 175.43 1hma h ALA 11 N 2.52 1.49 -0.32 1.44 0.00 -1.91 -0.21 119.26 122.25 1hma h ALA 11 Ca -0.48 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1hma h ALA 11 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1hma h ALA 11 CO 0.64 0.41 0.23 -0.92 0.00 0.00 0.00 179.25 179.62 1hma h TYR 12 N 0.71 0.05 -0.04 0.00 3.20 -1.96 -1.55 116.97 117.39 1hma h TYR 12 Ca 0.18 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1hma h TYR 12 Cb 0.07 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1hma h TYR 12 CO 0.01 0.03 -0.25 0.52 -1.64 0.00 0.00 178.16 176.82 1hma h MET 13 N 0.05 0.25 -0.79 1.82 2.86 -1.42 -2.45 114.93 115.26 1hma h MET 13 Ca 0.15 -0.21 0.18 0.00 -2.06 0.00 0.00 59.70 57.77 1hma h MET 13 Cb 0.54 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.13 1hma h MET 13 CO -0.01 0.87 0.17 -0.07 1.06 0.00 0.00 176.91 178.94 1hma h LEU 14 N -0.31 -0.03 -0.51 1.22 3.38 -1.08 0.32 115.31 118.30 1hma h LEU 14 Ca -0.02 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1hma h LEU 14 Cb 0.93 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1hma h LEU 14 CO 0.05 -0.09 0.12 -0.25 0.09 0.00 0.00 178.44 178.37 1hma h TRP 15 N 0.23 0.85 0.00 1.13 7.01 -1.48 -1.85 115.95 121.85 1hma h TRP 15 Ca 0.46 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.35 1hma h TRP 15 Cb 0.83 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1hma h TRP 15 CO -0.28 0.76 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.05 1hma h LEU 16 N 0.70 0.00 0.18 0.65 3.38 0.04 0.54 115.31 120.81 1hma h LEU 16 Ca 0.16 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.81 1hma h LEU 16 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1hma h LEU 16 CO 0.00 0.01 -1.50 0.78 0.09 0.00 0.00 178.44 177.82 1hma h ASN 17 N 0.00 0.59 -0.24 -0.43 2.35 -0.22 -1.64 115.58 115.99 1hma h ASN 17 Ca -0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 1hma h ASN 17 Cb 0.03 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1hma h ASN 17 CO 0.00 1.58 0.00 -1.20 -1.65 0.00 0.00 177.43 176.16 1hma n SER 18 N -3.58 1.72 0.00 5.81 7.64 -0.73 -3.75 113.62 120.73 1hma n SER 18 Ca -0.17 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1hma n SER 18 Cb 1.07 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1hma n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hma n ALA 19 N 0.38 1.59 0.30 -0.43 0.00 0.11 -4.67 120.51 117.79 1hma n ALA 19 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.75 1hma n ALA 19 Cb 0.31 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.69 1hma n ALA 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1hma h ARG 20 N 0.00 0.00 0.00 0.00 0.11 -1.38 0.44 114.38 113.54 1hma h ARG 20 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hma h ARG 20 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1hma h ARG 20 CO 0.00 0.03 -0.03 0.93 0.10 0.00 0.00 179.97 181.00 1hma h GLU 21 N 0.00 0.00 0.00 0.08 5.08 -1.83 -2.31 114.58 115.60 1hma h GLU 21 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hma h GLU 21 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1hma h GLU 21 CO 0.00 0.31 0.00 0.43 -1.00 0.00 0.00 179.01 178.76 1hma n SER 22 N -4.72 0.00 -0.04 1.42 7.64 -1.13 -2.70 113.62 114.09 1hma n SER 22 Ca -0.04 0.23 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 1hma n SER 22 Cb 0.16 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 62.86 1hma n SER 22 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hma h ILE 23 N 0.00 0.82 0.00 0.44 2.04 -0.18 -2.49 117.51 118.13 1hma h ILE 23 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1hma h ILE 23 Cb 0.20 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1hma h ILE 23 CO 0.00 0.62 0.00 2.29 0.00 0.00 0.00 178.15 181.06 1hma n LYS 24 N -3.96 0.03 -0.07 2.37 2.85 -0.87 -2.91 118.16 115.60 1hma n LYS 24 Ca -0.31 0.25 -0.10 0.00 -1.05 0.00 0.00 58.31 57.10 1hma n LYS 24 Cb 0.87 -1.56 -0.08 0.00 -0.65 0.00 0.00 35.03 33.61 1hma n LYS 24 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1hma n ARG 25 N -1.62 0.82 -0.00 -1.58 1.74 -1.10 -4.43 116.66 110.49 1hma n ARG 25 Ca 0.04 0.07 0.04 0.00 -0.77 0.00 0.00 57.85 57.22 1hma n ARG 25 Cb 0.20 -1.32 0.24 0.00 -1.02 0.00 0.00 32.46 30.56 1hma n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1hma n GLU 26 N -2.83 1.02 -4.27 5.56 0.28 -0.94 -4.79 120.64 114.68 1hma n GLU 26 Ca -0.26 -0.04 -0.30 0.00 -0.16 0.00 0.00 57.16 56.41 1hma n GLU 26 Cb 0.83 -1.13 -0.10 0.00 1.43 0.00 0.00 31.44 32.46 1hma n GLU 26 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1hma s ASN 27 N -1.25 4.21 -1.28 -1.84 0.01 -1.15 -5.03 114.94 108.62 1hma s ASN 27 Ca 0.12 -0.44 -0.16 0.00 -0.71 0.00 0.00 52.86 51.67 1hma s ASN 27 Cb 0.06 -0.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 1hma s ASN 27 CO 0.10 0.18 2.14 -0.81 -1.51 0.00 0.00 177.10 177.20 1hma n PRO 28 N 0.77 2.51 -2.11 -0.60 -0.04 -1.26 -4.37 135.00 129.90 1hma n PRO 28 Ca -0.14 -2.42 -0.06 0.00 -0.04 0.00 0.00 63.50 60.83 1hma n PRO 28 Cb 0.52 -3.20 -0.01 0.00 -0.04 0.00 0.00 33.50 30.77 1hma n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hma n GLY 29 N 4.24 -0.19 2.98 0.55 0.00 -1.26 -4.75 105.19 106.76 1hma n GLY 29 Ca 0.51 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 1hma n GLY 29 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hma n ILE 30 N -2.54 0.32 -0.95 -0.61 3.06 -1.26 -4.81 119.36 112.57 1hma n ILE 30 Ca -0.07 -0.45 -0.34 0.00 -2.50 0.00 0.00 62.75 59.39 1hma n ILE 30 Cb 0.46 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.76 1hma n ILE 30 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1hma n LYS 31 N 1.28 -0.09 0.19 9.51 4.01 -1.26 -4.79 118.16 127.02 1hma n LYS 31 Ca 0.09 0.03 0.05 0.00 -0.51 0.00 0.00 58.31 57.97 1hma n LYS 31 Cb 0.39 -1.99 0.34 0.00 -0.51 0.00 0.00 35.03 33.27 1hma n LYS 31 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1hma h VAL 32 N -1.20 0.91 0.00 -0.18 3.04 -2.01 -2.23 116.25 114.58 1hma h VAL 32 Ca -0.44 -1.50 -0.22 0.00 -1.01 0.00 0.00 66.70 63.53 1hma h VAL 32 Cb 1.30 1.90 -0.04 0.00 -2.01 0.00 0.00 31.29 32.45 1hma h VAL 32 CO 0.39 0.37 -1.32 0.71 -1.01 0.00 0.00 177.57 176.70 1hma h THR 33 N 0.00 0.96 0.00 3.17 1.35 -2.01 -3.28 112.91 113.10 1hma h THR 33 Ca -0.00 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1hma h THR 33 Cb 0.87 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1hma h THR 33 CO 0.05 0.54 -0.04 -0.62 -0.25 0.00 0.00 175.52 175.21 1hma n GLU 34 N -3.10 0.15 0.04 4.72 1.02 -1.12 -3.37 120.64 118.98 1hma n GLU 34 Ca -0.09 0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 1hma n GLU 34 Cb 0.93 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.60 1hma n GLU 34 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hma h VAL 35 N 0.00 1.00 -0.57 2.62 2.07 -1.46 -2.49 116.25 117.42 1hma h VAL 35 Ca 0.00 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1hma h VAL 35 Cb 0.64 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1hma h VAL 35 CO 0.00 0.26 0.35 0.00 0.02 0.00 0.00 177.57 178.20 1hma h ALA 36 N -0.13 1.55 -0.53 1.67 0.00 -1.70 -1.51 119.26 118.61 1hma h ALA 36 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1hma h ALA 36 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1hma h ALA 36 CO 0.03 0.40 0.28 -0.22 0.00 0.00 0.00 179.25 179.74 1hma h LYS 37 N 0.78 0.75 0.00 0.00 3.64 -1.56 -1.25 116.57 118.92 1hma h LYS 37 Ca 0.21 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1hma h LYS 37 Cb -0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1hma h LYS 37 CO -0.04 0.59 -0.19 0.00 -2.27 0.00 0.00 179.45 177.55 1hma h ARG 38 N 0.71 0.00 -0.20 1.90 -0.00 -0.88 -2.31 114.38 113.59 1hma h ARG 38 Ca 0.19 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.58 1hma h ARG 38 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1hma h ARG 38 CO -0.03 0.19 -0.23 0.78 0.00 0.00 0.00 179.97 180.68 1hma h GLY 39 N 1.25 0.40 1.65 0.04 0.00 -0.26 -1.57 103.07 104.59 1hma h GLY 39 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1hma h GLY 39 CO 0.02 0.28 -0.41 -1.33 0.00 0.00 0.00 176.54 175.11 1hma h GLY 40 N 0.99 0.42 0.22 4.60 0.00 -1.12 -1.26 103.07 106.91 1hma h GLY 40 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1hma h GLY 40 CO 0.04 0.37 -0.10 0.83 0.00 0.00 0.00 176.54 177.68 1hma h GLU 41 N 0.32 -0.28 -0.86 4.80 5.08 -1.44 -3.18 114.58 119.03 1hma h GLU 41 Ca 0.03 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.58 1hma h GLU 41 Cb 0.86 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 1hma h GLU 41 CO 0.07 -0.19 0.41 -0.07 -1.00 0.00 0.00 179.01 178.24 1hma h LEU 42 N -0.87 0.45 -0.15 1.33 3.38 -1.39 -1.75 115.31 116.31 1hma h LEU 42 Ca -0.03 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1hma h LEU 42 Cb 0.22 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1hma h LEU 42 CO 0.05 0.15 -0.31 -0.25 0.09 0.00 0.00 178.44 178.17 1hma h TRP 43 N 0.54 -0.93 -0.01 1.13 2.91 -1.31 2.31 115.95 120.60 1hma h TRP 43 Ca 0.49 0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.57 1hma h TRP 43 Cb 0.78 0.43 -0.02 0.00 -0.51 0.00 0.00 29.16 29.83 1hma h TRP 43 CO -0.11 -0.29 -0.09 -0.09 -1.03 0.00 0.00 178.44 176.83 1hma h ARG 44 N -0.27 -0.14 -0.42 2.65 2.43 -1.41 -1.41 114.38 115.82 1hma h ARG 44 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1hma h ARG 44 Cb 0.36 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1hma h ARG 44 CO -0.29 -0.09 0.00 0.00 -1.51 0.00 0.00 179.97 178.08 1hma n ALA 45 N -2.33 2.56 -1.00 2.80 0.00 -0.71 -4.60 120.51 117.23 1hma n ALA 45 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1hma n ALA 45 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1hma n ALA 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1hma n MET 46 N -0.11 0.00 0.00 0.00 0.00 0.78 -4.95 117.12 112.83 1hma n MET 46 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.73 1hma n MET 46 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.41 1hma n MET 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1hma n LYS 47 N 0.00 0.00 -4.09 2.12 5.02 -1.26 -5.07 118.16 114.88 1hma n LYS 47 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1hma n LYS 47 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1hma n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hma s ASP 48 N 1.00 0.89 0.13 4.39 1.11 -1.26 -5.04 116.67 117.90 1hma s ASP 48 Ca 0.00 -0.48 0.17 0.00 0.18 0.00 0.00 52.55 52.42 1hma s ASP 48 Cb 0.00 0.01 -0.07 0.00 1.07 0.00 0.00 42.92 43.93 1hma s ASP 48 CO 0.00 -0.15 1.00 0.11 1.18 0.00 0.00 175.17 177.32 1hma h LYS 49 N 4.74 0.00 0.00 8.23 1.57 -1.93 -3.27 116.57 125.91 1hma h LYS 49 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1hma h LYS 49 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1hma h LYS 49 CO 0.42 0.31 0.00 0.77 -0.57 0.00 0.00 179.45 180.38 1hma h SER 50 N 0.00 0.00 0.00 0.86 0.02 -1.96 -0.30 113.55 112.17 1hma h SER 50 Ca -0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1hma h SER 50 Cb 1.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1hma h SER 50 CO 0.05 0.00 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.65 1hma h GLU 51 N 0.00 -0.00 0.55 3.45 4.81 -2.00 -2.53 114.58 118.86 1hma h GLU 51 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1hma h GLU 51 Cb 0.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.51 1hma h GLU 51 CO 0.00 -0.00 -0.26 -1.49 -0.73 0.00 0.00 179.01 176.52 1hma h TRP 52 N -0.00 -0.68 -0.77 0.92 4.06 -1.75 -2.82 115.95 114.90 1hma h TRP 52 Ca -0.00 -0.02 0.23 0.00 2.06 0.00 0.00 58.89 61.16 1hma h TRP 52 Cb 0.00 0.23 -0.14 0.00 -1.00 0.00 0.00 29.16 28.24 1hma h TRP 52 CO 0.18 -0.36 0.06 0.39 -3.56 0.00 0.00 178.44 175.15 1hma n GLU 53 N -5.29 -0.06 -0.04 0.49 1.02 -0.13 0.19 120.64 116.82 1hma n GLU 53 Ca -0.11 1.15 -0.12 0.00 -0.02 0.00 0.00 57.16 58.06 1hma n GLU 53 Cb 0.33 -1.85 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 1hma n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma h ALA 54 N 1.54 0.17 -0.94 0.62 0.00 -1.39 -2.71 119.26 116.55 1hma h ALA 54 Ca 0.49 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.38 1hma h ALA 54 Cb 1.06 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1hma h ALA 54 CO -0.71 -0.15 0.60 0.87 0.00 0.00 0.00 179.25 179.86 1hma h LYS 55 N -0.02 0.74 -0.54 0.00 1.79 0.24 -0.22 116.57 118.57 1hma h LYS 55 Ca 0.04 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1hma h LYS 55 Cb 0.33 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1hma h LYS 55 CO 0.00 0.49 0.32 0.00 -1.08 0.00 0.00 179.45 179.19 1hma h ALA 56 N 1.59 0.69 -0.59 3.86 0.00 -0.67 -2.00 119.26 122.13 1hma h ALA 56 Ca 0.48 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.50 1hma h ALA 56 Cb 0.72 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1hma h ALA 56 CO -0.25 0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.15 1hma h ALA 57 N 1.24 0.69 -0.30 0.00 0.00 -0.87 -1.34 119.26 118.67 1hma h ALA 57 Ca 0.22 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1hma h ALA 57 Cb 0.02 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1hma h ALA 57 CO -0.09 -0.32 -0.30 0.87 0.00 0.00 0.00 179.25 179.41 1hma h LYS 58 N 0.24 -0.27 -0.34 0.00 1.57 -1.19 0.50 116.57 117.07 1hma h LYS 58 Ca 0.31 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 1hma h LYS 58 Cb 0.47 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1hma h LYS 58 CO -0.41 -0.18 0.24 0.00 -0.57 0.00 0.00 179.45 178.53 1hma h ALA 59 N 0.70 2.14 -0.02 3.86 0.00 -1.17 -1.46 119.26 123.31 1hma h ALA 59 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1hma h ALA 59 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1hma h ALA 59 CO -0.46 -0.22 -0.03 -0.22 0.00 0.00 0.00 179.25 178.32 1hma h LYS 60 N 0.14 -0.05 -0.27 0.00 3.11 0.86 1.07 116.57 121.43 1hma h LYS 60 Ca 0.16 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.92 1hma h LYS 60 Cb 0.44 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 1hma h LYS 60 CO -0.02 -0.03 -0.14 -0.44 -2.81 0.00 0.00 179.45 176.01 1hma h ASP 61 N -0.05 0.59 0.58 4.20 5.19 -0.55 -0.75 116.42 125.63 1hma h ASP 61 Ca 0.02 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1hma h ASP 61 Cb 0.08 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1hma h ASP 61 CO -0.05 0.87 0.00 -0.67 -3.12 0.00 0.00 179.24 176.27 1hma n ASP 62 N -4.44 0.00 -0.11 6.45 2.03 -0.64 -2.63 116.55 117.21 1hma n ASP 62 Ca -0.04 0.22 -0.23 0.00 0.52 0.00 0.00 54.79 55.26 1hma n ASP 62 Cb 0.37 -0.39 -0.12 0.00 -0.72 0.00 0.00 41.12 40.27 1hma n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hma n TYR 63 N -1.39 0.27 0.08 -0.67 9.36 0.37 -2.76 117.16 122.42 1hma n TYR 63 Ca 0.08 0.08 -0.05 0.00 3.32 0.00 0.00 57.90 61.33 1hma n TYR 63 Cb 0.21 -1.03 0.13 0.00 -0.63 0.00 0.00 39.34 38.02 1hma n TYR 63 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1hma h ASP 64 N -0.42 0.28 0.36 2.98 1.82 -1.19 -0.66 116.42 119.58 1hma h ASP 64 Ca -0.58 -0.16 -0.32 0.00 -0.39 0.00 0.00 57.03 55.58 1hma h ASP 64 Cb 1.77 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 41.69 1hma h ASP 64 CO -0.19 0.80 -1.61 0.03 -1.61 0.00 0.00 179.24 176.66 1hma h ARG 65 N 0.19 0.30 0.00 0.28 3.08 -1.71 -3.36 114.38 113.17 1hma h ARG 65 Ca -0.00 -0.52 -0.14 0.00 0.07 0.00 0.00 59.98 59.39 1hma h ARG 65 Cb 1.08 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1hma h ARG 65 CO 0.09 1.18 -0.77 0.00 -1.07 0.00 0.00 179.97 179.40 1hma h ALA 66 N 0.37 0.60 -0.38 0.04 0.00 -1.52 -3.27 119.26 115.09 1hma h ALA 66 Ca -0.28 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 53.94 1hma h ALA 66 Cb 2.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 1hma h ALA 66 CO 0.17 0.83 -0.01 -0.39 0.00 0.00 0.00 179.25 179.85 1hma h VAL 67 N 0.00 1.21 0.16 0.00 -1.51 -1.26 -0.29 116.25 114.57 1hma h VAL 67 Ca -0.04 -0.87 0.01 0.00 -1.23 0.00 0.00 66.70 64.57 1hma h VAL 67 Cb 1.52 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 1hma h VAL 67 CO 0.08 0.30 -0.20 0.11 -1.23 0.00 0.00 177.57 176.63 1hma h LYS 68 N 0.57 -0.39 -0.65 5.19 1.57 -1.70 1.05 116.57 122.22 1hma h LYS 68 Ca 0.12 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1hma h LYS 68 Cb 0.38 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1hma h LYS 68 CO 0.01 -0.26 0.43 0.93 -0.57 0.00 0.00 179.45 179.99 1hma h GLU 69 N -0.41 0.73 0.00 3.15 4.39 -1.60 0.25 114.58 121.10 1hma h GLU 69 Ca 0.01 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1hma h GLU 69 Cb 0.40 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1hma h GLU 69 CO -0.07 0.48 -0.36 0.35 -1.16 0.00 0.00 179.01 178.25 1hma h PHE 70 N 0.75 0.00 0.00 4.33 3.57 0.61 -2.70 116.94 123.50 1hma h PHE 70 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1hma h PHE 70 Cb 0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1hma h PHE 70 CO -0.00 0.36 -0.96 0.39 -2.23 0.00 0.00 178.31 175.86 1hma n GLU 71 N -3.85 0.15 0.18 1.11 1.02 0.35 -3.96 120.64 115.65 1hma n GLU 71 Ca -0.01 -0.01 0.07 0.00 -0.02 0.00 0.00 57.16 57.19 1hma n GLU 71 Cb 0.43 -1.54 0.12 0.00 -0.02 0.00 0.00 31.44 30.43 1hma n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma h ALA 72 N 2.76 0.84 -2.19 0.62 0.00 -0.28 -3.36 119.26 117.66 1hma h ALA 72 Ca 0.00 -0.23 -0.60 0.00 0.00 0.00 0.00 54.91 54.08 1hma h ALA 72 Cb 0.62 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.95 1hma h ALA 72 CO 0.00 0.31 -0.60 0.09 0.00 0.00 0.00 179.25 179.05 1hma n ASN 73 N -3.17 3.71 0.00 0.00 4.13 -1.17 -5.09 115.26 113.66 1hma n ASN 73 Ca 0.03 -3.43 0.00 0.00 1.68 0.00 0.00 54.58 52.85 1hma n ASN 73 Cb 0.62 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1hma n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15