#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qti h ASN 9 N 0.00 0.97 0.59 -3.46 4.21 -2.04 0.40 115.58 116.25 2qti h ASN 9 Ca 0.00 -0.11 -0.09 0.00 1.21 0.00 0.00 56.30 57.31 2qti h ASN 9 Cb 0.00 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.94 2qti h ASN 9 CO 0.00 0.82 -0.43 0.74 -1.29 0.00 0.00 177.43 177.27 2qti h THR 10 N 1.07 1.16 -0.14 2.81 2.02 -2.04 0.19 112.91 117.97 2qti h THR 10 Ca 0.26 -1.57 -0.10 0.00 0.77 0.00 0.00 66.41 65.78 2qti h THR 10 Cb 0.10 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2qti h THR 10 CO -0.03 0.42 -0.29 1.56 0.37 0.00 0.00 175.52 177.55 2qti h GLN 11 N 0.00 0.45 0.08 6.66 1.08 -1.65 -0.62 115.11 121.12 2qti h GLN 11 Ca -0.00 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 2qti h GLN 11 Cb 0.85 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2qti h GLN 11 CO 0.06 0.89 -0.04 0.28 -0.95 0.00 0.00 178.83 179.07 2qti h VAL 12 N 0.06 1.09 -0.98 -0.54 2.07 -0.81 -2.44 116.25 114.70 2qti h VAL 12 Ca 0.01 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2qti h VAL 12 Cb 0.88 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 2qti h VAL 12 CO 0.06 0.16 0.63 -0.33 0.02 0.00 0.00 177.57 178.11 2qti h GLU 13 N -0.40 1.04 -0.46 1.57 5.08 -1.00 0.18 114.58 120.59 2qti h GLU 13 Ca -0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2qti h GLU 13 Cb 0.34 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2qti h GLU 13 CO 0.02 0.69 0.06 0.77 -1.00 0.00 0.00 179.01 179.55 2qti h SER 14 N 1.07 0.73 -0.10 1.42 0.02 -1.04 0.74 113.55 116.40 2qti h SER 14 Ca 0.45 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2qti h SER 14 Cb 0.30 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2qti h SER 14 CO -0.20 0.82 0.06 -0.07 -1.14 0.00 0.00 176.83 176.30 2qti h LEU 15 N 0.63 0.11 -0.14 5.07 3.38 -0.86 -1.18 115.31 122.32 2qti h LEU 15 Ca 0.14 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qti h LEU 15 Cb 0.40 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2qti h LEU 15 CO 0.01 0.10 -0.05 0.40 0.09 0.00 0.00 178.44 178.99 2qti h ILE 16 N 0.12 0.82 -0.44 1.22 2.04 -0.82 -0.66 117.51 119.79 2qti h ILE 16 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2qti h ILE 16 Cb 0.00 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2qti h ILE 16 CO -0.01 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.36 2qti h ALA 17 N 1.11 0.55 -0.75 1.87 0.00 -0.67 0.18 119.26 121.55 2qti h ALA 17 Ca 0.07 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qti h ALA 17 Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2qti h ALA 17 CO -0.16 -0.13 0.48 1.49 0.00 0.00 0.00 179.25 180.93 2qti h GLU 18 N 0.45 0.93 -0.41 0.00 4.81 -0.80 0.62 114.58 120.17 2qti h GLU 18 Ca 0.19 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 2qti h GLU 18 Cb 0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2qti h GLU 18 CO -0.13 0.61 -0.25 0.82 -0.73 0.00 0.00 179.01 179.33 2qti h ILE 19 N 0.95 1.28 -0.53 2.32 2.04 -0.51 -2.77 117.51 120.30 2qti h ILE 19 Ca 0.29 -1.41 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 2qti h ILE 19 Cb -0.03 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2qti h ILE 19 CO -0.09 0.48 0.09 -0.07 0.00 0.00 0.00 178.15 178.56 2qti h LEU 20 N 0.73 0.78 -0.96 1.44 3.38 0.04 -2.15 115.31 118.57 2qti h LEU 20 Ca 0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2qti h LEU 20 Cb 0.83 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2qti h LEU 20 CO 0.07 0.79 0.15 0.58 0.09 0.00 0.00 178.44 180.12 2qti h VAL 21 N 0.79 1.24 -0.43 1.22 2.07 -0.83 0.63 116.25 120.93 2qti h VAL 21 Ca 0.17 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2qti h VAL 21 Cb 0.34 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2qti h VAL 21 CO 0.00 0.32 0.19 0.58 0.02 0.00 0.00 177.57 178.68 2qti h VAL 22 N 0.87 0.91 -0.45 2.57 2.07 -1.10 0.51 116.25 121.64 2qti h VAL 22 Ca 0.19 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2qti h VAL 22 Cb 0.31 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2qti h VAL 22 CO -0.00 0.07 0.02 -0.07 0.02 0.00 0.00 177.57 177.61 2qti h LEU 23 N 0.38 0.75 -0.73 2.57 3.38 -1.06 -2.95 115.31 117.64 2qti h LEU 23 Ca 0.20 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2qti h LEU 23 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qti h LEU 23 CO -0.17 0.86 0.16 -0.33 0.09 0.00 0.00 178.44 179.05 2qti h GLU 24 N 0.62 1.12 -0.52 1.13 5.08 -0.30 -1.90 114.58 119.82 2qti h GLU 24 Ca 0.13 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2qti h GLU 24 Cb 0.46 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2qti h GLU 24 CO 0.02 1.00 0.33 0.87 -1.00 0.00 0.00 179.01 180.23 2qti h LYS 25 N 1.06 0.68 -0.00 2.33 1.57 0.11 -0.73 116.57 121.59 2qti h LYS 25 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2qti h LYS 25 Cb 0.38 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2qti h LYS 25 CO 0.00 0.46 -0.23 0.72 -0.57 0.00 0.00 179.45 179.84 2qti n HIS 26 N -4.45 0.00 -2.49 -1.35 8.25 -1.06 -4.89 115.22 109.23 2qti n HIS 26 Ca 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 2qti n HIS 26 Cb 0.06 -0.36 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 2qti n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qti n LYS 27 N -1.43 -2.21 -1.80 -0.41 4.76 -0.28 -4.85 118.16 111.94 2qti n LYS 27 Ca 0.07 0.77 -0.42 0.00 -2.87 0.00 0.00 58.31 55.86 2qti n LYS 27 Cb 0.33 -5.41 -0.02 0.00 -1.84 0.00 0.00 35.03 28.09 2qti n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qti s ALA 28 N -2.82 3.79 1.06 7.82 0.00 -0.97 -4.98 121.76 125.66 2qti s ALA 28 Ca 0.03 1.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 2qti s ALA 28 Cb -0.02 -3.65 0.22 0.00 0.00 0.00 0.00 23.12 19.68 2qti s ALA 28 CO 0.04 -0.93 1.08 -2.14 0.00 0.00 0.00 175.76 173.81 2qti s PRO 29 N 0.05 -0.09 0.10 0.00 0.02 -1.26 -4.68 135.00 129.14 2qti s PRO 29 Ca 0.66 1.16 -0.25 0.00 0.02 0.00 0.00 61.00 62.59 2qti s PRO 29 Cb -0.47 -1.63 -0.11 0.00 0.02 0.00 0.00 34.50 32.31 2qti s PRO 29 CO 0.42 -3.26 1.68 1.15 -0.33 0.00 0.00 177.00 176.66 2qti h THR 30 N -2.31 0.66 -0.93 0.99 2.02 -1.99 -0.32 112.91 111.03 2qti h THR 30 Ca -0.54 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.73 2qti h THR 30 Cb 1.30 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 2qti h THR 30 CO 0.46 0.00 0.57 -2.24 0.37 0.00 0.00 175.52 174.69 2qti h ASP 31 N -0.31 0.87 -0.53 4.18 2.03 -1.99 0.19 116.42 120.86 2qti h ASP 31 Ca 0.01 0.03 -0.11 0.00 -0.73 0.00 0.00 57.03 56.23 2qti h ASP 31 Cb 0.31 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 2qti h ASP 31 CO -0.06 0.51 -0.11 0.25 -1.03 0.00 0.00 179.24 178.80 2qti h LEU 32 N 0.98 1.03 -0.20 0.15 5.85 -1.84 -3.10 115.31 118.17 2qti h LEU 32 Ca 0.43 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2qti h LEU 32 Cb 0.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qti h LEU 32 CO -0.22 1.14 0.10 0.28 -0.34 0.00 0.00 178.44 179.40 2qti h SER 33 N 0.89 0.26 0.00 1.25 0.02 0.03 -1.16 113.55 114.83 2qti h SER 33 Ca 0.14 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2qti h SER 33 Cb 0.68 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2qti h SER 33 CO 0.05 0.29 0.00 0.18 -1.14 0.00 0.00 176.83 176.21 2qti n LEU 34 N -4.88 0.03 0.00 5.07 4.77 -0.05 -0.60 117.00 121.35 2qti n LEU 34 Ca -0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2qti n LEU 34 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2qti n LEU 34 CO 0.35 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.41 2qti n ALA 36 N 0.72 0.00 -0.32 -1.18 0.00 -0.44 0.20 120.51 119.49 2qti n ALA 36 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2qti n ALA 36 Cb 0.01 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2qti n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2qti h LEU 37 N 0.00 1.05 -0.51 0.00 3.38 -1.11 -0.35 115.31 117.78 2qti h LEU 37 Ca 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2qti h LEU 37 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2qti h LEU 37 CO 0.00 0.84 0.15 1.23 0.09 0.00 0.00 178.44 180.75 2qti h GLY 38 N 1.18 0.86 1.69 0.83 0.00 -0.49 -2.17 103.07 104.98 2qti h GLY 38 Ca 0.30 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2qti h GLY 38 CO -0.05 0.48 -0.03 3.43 0.00 0.00 0.00 176.54 180.37 2qti h ASN 39 N 0.69 0.36 -0.54 0.19 2.35 -1.66 -0.26 115.58 116.71 2qti h ASN 39 Ca 0.16 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2qti h ASN 39 Cb 0.29 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2qti h ASN 39 CO -0.00 0.44 0.06 0.00 -1.65 0.00 0.00 177.43 176.28 2qti h VAL 41 N 0.80 1.17 -0.47 0.00 2.07 -0.79 -1.21 116.25 117.81 2qti h VAL 41 Ca 0.16 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2qti h VAL 41 Cb 0.45 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2qti h VAL 41 CO 0.02 0.16 0.18 0.74 0.02 0.00 0.00 177.57 178.69 2qti h THR 42 N 0.11 0.86 0.15 2.57 2.02 -0.86 -0.38 112.91 117.39 2qti h THR 42 Ca 0.06 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.13 2qti h THR 42 Cb 0.20 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2qti h THR 42 CO -0.00 0.07 -0.26 -0.74 0.37 0.00 0.00 175.52 174.95 2qti h HIS 43 N 0.36 -0.71 -0.24 3.16 2.76 -0.45 -1.17 115.15 118.87 2qti h HIS 43 Ca 0.22 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.45 2qti h HIS 43 Cb 0.21 0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 2qti h HIS 43 CO -0.15 -0.37 -0.08 -0.07 -1.30 0.00 0.00 177.93 175.96 2qti h LEU 44 N -0.49 -0.29 -0.71 0.26 3.38 -0.81 0.16 115.31 116.81 2qti h LEU 44 Ca 0.02 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2qti h LEU 44 Cb 0.50 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2qti h LEU 44 CO -0.13 -0.11 0.43 -0.07 0.09 0.00 0.00 178.44 178.65 2qti h LEU 45 N -0.04 0.69 -0.72 1.67 3.38 -0.84 0.59 115.31 120.05 2qti h LEU 45 Ca 0.12 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2qti h LEU 45 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qti h LEU 45 CO -0.27 0.47 -0.21 -0.33 0.09 0.00 0.00 178.44 178.19 2qti h GLU 46 N 0.83 0.77 0.00 1.13 5.08 -0.81 -1.26 114.58 120.31 2qti h GLU 46 Ca 0.30 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qti h GLU 46 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2qti h GLU 46 CO -0.14 0.91 -0.92 -0.09 -1.00 0.00 0.00 179.01 177.77 2qti h ARG 47 N 0.67 0.00 0.00 2.33 2.43 -0.35 -3.41 114.38 116.06 2qti h ARG 47 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2qti h ARG 47 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2qti h ARG 47 CO 0.05 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.14 2qti n LYS 48 N -2.51 -0.21 -4.71 0.20 5.02 0.20 -5.04 118.16 111.12 2qti n LYS 48 Ca 0.01 -0.30 -0.31 0.00 -2.02 0.00 0.00 58.31 55.69 2qti n LYS 48 Cb 0.52 -0.71 -0.17 0.00 -0.02 0.00 0.00 35.03 34.65 2qti n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qti s VAL 49 N -0.05 1.87 0.16 -0.18 1.01 -0.48 -5.00 120.40 117.73 2qti s VAL 49 Ca 0.00 -0.87 -0.33 0.00 0.00 0.00 0.00 61.98 60.77 2qti s VAL 49 Cb 0.00 -1.65 -0.15 0.00 0.00 0.00 0.00 36.38 34.57 2qti s VAL 49 CO 0.00 0.51 1.27 -2.65 0.00 0.00 0.00 175.10 174.24 2qti n PRO 50 N 3.99 1.38 -0.35 2.72 -0.02 -1.26 -4.62 135.00 136.83 2qti n PRO 50 Ca -0.20 0.49 0.34 0.00 -2.02 0.00 0.00 63.50 62.11 2qti n PRO 50 Cb 0.52 -2.07 0.61 0.00 -0.02 0.00 0.00 33.50 32.54 2qti n PRO 50 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qti n SER 51 N 2.25 0.32 0.28 2.55 2.88 -1.26 -0.10 113.62 120.54 2qti n SER 51 Ca 0.15 1.60 0.18 0.00 -1.33 0.00 0.00 58.87 59.47 2qti n SER 51 Cb 0.25 -0.78 0.70 0.00 -0.75 0.00 0.00 64.21 63.63 2qti n SER 51 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2qti h GLU 52 N 0.00 0.00 0.00 -1.46 4.11 -2.01 -3.21 114.58 112.01 2qti h GLU 52 Ca 0.86 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.29 2qti h GLU 52 Cb 2.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.63 2qti h GLU 52 CO -0.71 0.00 -0.93 0.43 0.07 0.00 0.00 179.01 177.87 2qti n SER 53 N -3.09 1.40 -0.24 3.06 7.64 0.85 -4.73 113.62 118.52 2qti n SER 53 Ca 0.00 -0.42 -0.05 0.00 1.01 0.00 0.00 58.87 59.42 2qti n SER 53 Cb 0.30 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 2qti n SER 53 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2qti h ARG 54 N 0.00 -0.14 -0.59 1.43 2.43 -1.35 0.38 114.38 116.54 2qti h ARG 54 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2qti h ARG 54 Cb 0.35 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2qti h ARG 54 CO 0.00 -0.09 0.39 0.37 -1.51 0.00 0.00 179.97 179.13 2qti h GLN 55 N -0.14 0.78 -0.21 0.20 5.75 -1.85 0.87 115.11 120.51 2qti h GLN 55 Ca 0.24 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2qti h GLN 55 Cb 0.56 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2qti h GLN 55 CO -0.74 0.52 0.12 0.00 -2.65 0.00 0.00 178.83 176.08 2qti h ALA 56 N 1.21 0.26 -0.79 3.38 0.00 -1.29 0.13 119.26 122.17 2qti h ALA 56 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2qti h ALA 56 Cb -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2qti h ALA 56 CO -0.05 -0.21 0.35 0.28 0.00 0.00 0.00 179.25 179.62 2qti h VAL 57 N 0.23 1.25 -0.61 0.00 2.07 -0.08 -0.96 116.25 118.16 2qti h VAL 57 Ca 0.07 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2qti h VAL 57 Cb 0.06 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2qti h VAL 57 CO -0.01 0.31 0.39 0.00 0.02 0.00 0.00 177.57 178.28 2qti h ALA 58 N 1.25 0.78 -0.55 1.67 0.00 -0.29 -0.19 119.26 121.93 2qti h ALA 58 Ca 0.27 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2qti h ALA 58 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qti h ALA 58 CO -0.03 0.17 -0.01 1.49 0.00 0.00 0.00 179.25 180.87 2qti h GLU 59 N 0.79 0.94 -0.20 0.00 4.81 -0.18 -0.92 114.58 119.84 2qti h GLU 59 Ca 0.23 -0.28 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 2qti h GLU 59 Cb -0.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2qti h GLU 59 CO -0.07 0.94 -0.36 1.96 -0.73 0.00 0.00 179.01 180.75 2qti h GLN 60 N 0.87 0.42 -0.45 1.92 1.08 -0.81 0.70 115.11 118.84 2qti h GLN 60 Ca 0.16 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2qti h GLN 60 Cb 0.53 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 2qti h GLN 60 CO 0.03 0.73 0.18 0.35 -0.95 0.00 0.00 178.83 179.16 2qti h PHE 61 N 0.36 0.68 -0.48 2.96 3.57 -0.67 -1.14 116.94 122.23 2qti h PHE 61 Ca 0.04 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2qti h PHE 61 Cb 0.80 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2qti h PHE 61 CO 0.02 0.59 0.21 0.00 -2.23 0.00 0.00 178.31 176.90 2qti h ALA 62 N 1.02 0.62 -0.31 2.41 0.00 -0.63 0.22 119.26 122.59 2qti h ALA 62 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qti h ALA 62 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qti h ALA 62 CO -0.01 0.21 0.18 0.87 0.00 0.00 0.00 179.25 180.50 2qti h LYS 63 N 0.63 0.43 -0.52 0.00 1.79 -0.69 0.13 116.57 118.33 2qti h LYS 63 Ca 0.16 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2qti h LYS 63 Cb 0.17 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 2qti h LYS 63 CO -0.02 0.34 0.31 0.00 -1.08 0.00 0.00 179.45 179.01 2qti h ALA 64 N 1.06 0.67 0.04 3.86 0.00 -0.98 0.28 119.26 124.19 2qti h ALA 64 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qti h ALA 64 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qti h ALA 64 CO -0.02 0.02 -0.02 1.25 0.00 0.00 0.00 179.25 180.48 2qti h LEU 65 N 0.62 -0.05 -0.29 0.00 5.85 -0.47 0.24 115.31 121.22 2qti h LEU 65 Ca 0.21 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2qti h LEU 65 Cb 0.02 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2qti h LEU 65 CO -0.09 -0.03 0.08 0.00 -0.34 0.00 0.00 178.44 178.06 2qti h ALA 66 N 0.89 0.32 -0.55 1.25 0.00 -0.20 -0.04 119.26 120.93 2qti h ALA 66 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qti h ALA 66 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2qti h ALA 66 CO 0.01 -0.33 0.29 1.96 0.00 0.00 0.00 179.25 181.18 2qti h GLN 67 N 0.20 0.78 0.28 0.00 1.08 -0.27 -0.27 115.11 116.91 2qti h GLN 67 Ca 0.13 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2qti h GLN 67 Cb 0.12 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2qti h GLN 67 CO -0.15 0.62 -0.41 1.03 -0.95 0.00 0.00 178.83 178.96 2qti h SER 68 N 0.74 -1.16 -0.44 1.46 0.87 0.09 -0.18 113.55 114.94 2qti h SER 68 Ca 0.19 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.94 2qti h SER 68 Cb 0.07 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 2qti h SER 68 CO -0.03 -0.53 0.04 0.58 -0.53 0.00 0.00 176.83 176.36 2qti h VAL 69 N -0.75 0.70 0.50 2.23 2.07 -0.80 -0.09 116.25 120.12 2qti h VAL 69 Ca -0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2qti h VAL 69 Cb 0.71 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2qti h VAL 69 CO -0.14 0.03 -0.51 0.50 0.02 0.00 0.00 177.57 177.47 2qti h LYS 70 N 0.15 -0.97 -1.01 1.57 3.64 -0.66 -2.17 116.57 117.13 2qti h LYS 70 Ca 0.22 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.80 2qti h LYS 70 Cb 0.30 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 2qti h LYS 70 CO -0.33 -0.65 0.63 0.77 -2.27 0.00 0.00 179.45 177.60 2qti h SER 71 N -1.01 0.91 0.00 4.20 0.02 -0.79 0.62 113.55 117.51 2qti h SER 71 Ca -0.06 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qti h SER 71 Cb 0.88 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2qti h SER 71 CO -0.07 0.46 0.03 0.78 -1.14 0.00 0.00 176.83 176.88 2qti h ASN 72 N 0.96 0.00 -0.71 3.07 2.35 -0.41 -1.88 115.58 118.95 2qti h ASN 72 Ca 0.51 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.87 2qti h ASN 72 Cb 0.56 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.79 2qti h ASN 72 CO -0.29 0.00 0.15 0.18 -1.65 0.00 0.00 177.43 175.82 2qti n LEU 73 N -2.87 6.08 0.00 1.61 4.32 0.22 -5.08 117.00 121.27 2qti n LEU 73 Ca -0.03 -3.76 0.00 0.00 -0.02 0.00 0.00 56.01 52.21 2qti n LEU 73 Cb 0.08 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 40.60 2qti n LEU 73 CO 0.17 1.70 0.22 -0.62 -1.22 0.00 0.00 177.39 177.64