#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lig n GLY 26 N 0.00 1.61 0.00 -5.12 0.00 -1.26 -4.72 105.19 95.70 2lig n GLY 26 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2lig n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2lig n GLY 27 N 0.00 4.56 3.88 -0.02 0.00 -1.26 -5.14 105.19 107.21 2lig n GLY 27 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 2lig n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2lig s LEU 28 N 0.00 4.17 0.00 0.99 1.02 -1.26 -4.96 118.68 118.63 2lig s LEU 28 Ca 0.00 0.14 0.20 0.00 0.02 0.00 0.00 54.13 54.49 2lig s LEU 28 Cb 0.00 -2.78 -0.19 0.00 0.02 0.00 0.00 46.19 43.24 2lig s LEU 28 CO 0.00 0.13 0.89 0.18 0.02 0.00 0.00 176.35 177.57 2lig n LEU 29 N 0.04 1.10 -4.01 1.79 7.99 -1.14 -4.93 117.00 117.84 2lig n LEU 29 Ca -0.07 -0.54 -0.19 0.00 -0.01 0.00 0.00 56.01 55.20 2lig n LEU 29 Cb 0.52 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.68 2lig n LEU 29 CO 0.48 0.26 -0.43 -0.36 -1.51 0.00 0.00 177.39 175.83 2lig s PHE 30 N -2.84 0.85 -0.83 -1.77 0.08 -1.26 -2.19 117.98 110.03 2lig s PHE 30 Ca 0.09 -0.18 0.25 0.00 0.12 0.00 0.00 56.93 57.21 2lig s PHE 30 Cb 0.16 -0.58 0.96 0.00 -0.57 0.00 0.00 43.02 42.99 2lig s PHE 30 CO 0.79 -0.05 1.77 -1.13 -0.10 0.00 0.00 175.22 176.51 2lig n SER 31 N 3.05 0.38 -3.66 1.36 3.41 -1.26 -4.90 113.62 112.00 2lig n SER 31 Ca -0.15 0.55 -0.05 0.00 -0.26 0.00 0.00 58.87 58.96 2lig n SER 31 Cb 0.56 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2lig n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2lig s SER 32 N -3.71 -0.23 0.10 4.04 1.04 -1.26 -4.98 113.70 108.70 2lig s SER 32 Ca 0.10 -0.26 -0.27 0.00 0.48 0.00 0.00 55.95 56.01 2lig s SER 32 Cb 0.14 0.43 -0.11 0.00 0.10 0.00 0.00 66.02 66.58 2lig s SER 32 CO 0.49 -0.77 1.66 0.25 0.98 0.00 0.00 173.24 175.85 2lig h LEU 33 N 2.00 -0.53 -0.90 2.42 6.46 -2.00 -1.31 115.31 121.45 2lig h LEU 33 Ca -0.24 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2lig h LEU 33 Cb 1.23 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 41.28 2lig h LEU 33 CO 0.27 -0.29 0.55 -0.61 -0.62 0.00 0.00 178.44 177.74 2lig h GLN 34 N -0.41 0.91 -0.68 1.25 5.75 -1.98 0.10 115.11 120.05 2lig h GLN 34 Ca 0.01 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2lig h GLN 34 Cb 0.40 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 2lig h GLN 34 CO -0.06 0.60 0.44 1.25 -2.65 0.00 0.00 178.83 178.41 2lig h HIS 35 N 0.94 0.86 0.32 3.99 2.76 -1.88 -0.07 115.15 122.08 2lig h HIS 35 Ca 0.42 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.59 2lig h HIS 35 Cb 0.31 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.99 2lig h HIS 35 CO -0.03 0.55 -0.15 0.00 -1.30 0.00 0.00 177.93 177.00 2lig h GLN 37 N -0.64 0.57 -0.86 0.00 1.08 -1.02 0.24 115.11 114.49 2lig h GLN 37 Ca -0.04 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2lig h GLN 37 Cb 0.46 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 2lig h GLN 37 CO 0.07 0.38 0.48 0.37 -0.95 0.00 0.00 178.83 179.18 2lig h GLN 38 N 0.59 1.19 -0.67 1.46 4.15 -0.68 -1.22 115.11 119.94 2lig h GLN 38 Ca 0.47 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 2lig h GLN 38 Cb 0.70 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 2lig h GLN 38 CO -0.38 0.87 0.29 0.78 -1.93 0.00 0.00 178.83 178.46 2lig h GLY 39 N 1.19 1.06 1.00 2.39 0.00 -0.24 -2.57 103.07 105.90 2lig h GLY 39 Ca 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2lig h GLY 39 CO -0.05 0.52 0.43 -2.75 0.00 0.00 0.00 176.54 174.70 2lig h PHE 40 N 0.94 0.86 -0.35 5.60 3.57 -0.51 0.10 116.94 127.16 2lig h PHE 40 Ca 0.23 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2lig h PHE 40 Cb 0.17 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2lig h PHE 40 CO 0.01 0.56 0.13 0.28 -2.23 0.00 0.00 178.31 177.06 2lig h VAL 41 N 0.92 0.92 0.04 1.41 2.07 -0.86 -0.72 116.25 120.03 2lig h VAL 41 Ca 0.25 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2lig h VAL 41 Cb -0.08 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2lig h VAL 41 CO -0.05 0.05 -0.02 0.40 0.02 0.00 0.00 177.57 177.98 2lig h ILE 42 N 0.29 1.05 -0.65 4.57 2.04 -1.36 -2.88 117.51 120.57 2lig h ILE 42 Ca 0.15 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2lig h ILE 42 Cb 0.11 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2lig h ILE 42 CO -0.14 0.07 0.14 -1.28 0.00 0.00 0.00 178.15 176.93 2lig h SER 43 N -0.16 1.00 -0.31 1.72 0.87 -0.60 -1.73 113.55 114.34 2lig h SER 43 Ca -0.00 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.24 2lig h SER 43 Cb 0.15 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2lig h SER 43 CO 0.01 0.98 -0.06 -1.13 -0.53 0.00 0.00 176.83 176.10 2lig h ASN 44 N 0.97 0.67 -0.02 6.23 -0.73 -1.12 0.11 115.58 121.69 2lig h ASN 44 Ca 0.20 -0.17 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 2lig h ASN 44 Cb 0.38 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.80 2lig h ASN 44 CO 0.01 0.78 -0.10 -0.08 -0.37 0.00 0.00 177.43 177.66 2lig h GLU 45 N 0.65 0.11 -0.45 6.67 4.57 -1.31 -1.74 114.58 123.07 2lig h GLU 45 Ca 0.12 -0.09 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 2lig h GLU 45 Cb 0.49 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.00 2lig h GLU 45 CO 0.03 0.75 -0.20 1.25 -1.18 0.00 0.00 179.01 179.66 2lig h LEU 46 N -0.51 -0.68 -0.78 1.64 5.85 -1.12 -0.16 115.31 119.56 2lig h LEU 46 Ca -0.01 0.16 0.16 0.00 0.84 0.00 0.00 57.88 59.04 2lig h LEU 46 Cb 0.77 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2lig h LEU 46 CO 0.02 -0.23 0.27 -0.09 -0.34 0.00 0.00 178.44 178.08 2lig h ARG 47 N -0.10 0.36 -0.37 1.25 2.43 -0.64 -1.67 114.38 115.64 2lig h ARG 47 Ca 0.22 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2lig h ARG 47 Cb 0.44 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2lig h ARG 47 CO -0.52 0.24 -0.13 1.96 -1.51 0.00 0.00 179.97 180.01 2lig h GLN 48 N 0.37 0.75 -0.16 0.20 4.20 -0.66 -1.19 115.11 118.62 2lig h GLN 48 Ca 0.44 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.88 2lig h GLN 48 Cb 0.74 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2lig h GLN 48 CO -0.47 0.91 -0.04 1.96 -0.67 0.00 0.00 178.83 180.52 2lig h GLN 49 N 0.54 -0.00 -0.42 1.46 4.20 -0.53 -2.51 115.11 117.85 2lig h GLN 49 Ca 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 2lig h GLN 49 Cb 0.66 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2lig h GLN 49 CO 0.04 -0.00 0.02 0.37 -0.67 0.00 0.00 178.83 178.60 2lig h GLN 50 N -0.00 0.72 -0.83 1.46 5.75 -1.28 -2.15 115.11 118.77 2lig h GLN 50 Ca 0.08 -0.22 0.17 0.00 -0.15 0.00 0.00 58.65 58.53 2lig h GLN 50 Cb 0.12 -0.07 -0.11 0.00 1.07 0.00 0.00 27.48 28.50 2lig h GLN 50 CO -0.17 0.79 0.37 0.77 -2.65 0.00 0.00 178.83 177.93 2lig h SER 51 N 0.56 0.36 0.65 -0.69 0.02 -0.80 0.44 113.55 114.10 2lig h SER 51 Ca 0.12 0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.96 2lig h SER 51 Cb 0.45 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2lig h SER 51 CO 0.02 0.10 -1.04 -0.33 -1.14 0.00 0.00 176.83 174.44 2lig h GLU 52 N 0.48 0.21 0.69 3.45 4.39 -1.04 -2.13 114.58 120.62 2lig h GLU 52 Ca 0.48 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 2lig h GLU 52 Cb 0.79 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2lig h GLU 52 CO -0.44 1.07 -0.33 1.25 -1.16 0.00 0.00 179.01 179.40 2lig h LEU 53 N 0.09 -0.78 -1.17 1.33 5.85 -1.13 0.17 115.31 119.67 2lig h LEU 53 Ca -0.07 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.88 2lig h LEU 53 Cb 1.73 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 42.86 2lig h LEU 53 CO 0.16 -0.54 0.62 0.74 -0.34 0.00 0.00 178.44 179.08 2lig h THR 54 N -0.95 0.64 -0.14 1.05 2.02 -0.93 -1.58 112.91 113.01 2lig h THR 54 Ca -0.09 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 2lig h THR 54 Cb 0.72 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2lig h THR 54 CO 0.15 0.11 -0.57 0.28 0.37 0.00 0.00 175.52 175.87 2lig h SER 55 N 0.60 0.50 -0.29 4.18 0.02 -0.67 0.52 113.55 118.41 2lig h SER 55 Ca 0.57 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2lig h SER 55 Cb 1.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2lig h SER 55 CO -0.34 0.96 0.16 0.74 -1.14 0.00 0.00 176.83 177.21 2lig h THR 56 N 0.34 1.12 -0.59 -2.27 2.02 -0.60 -2.35 112.91 110.57 2lig h THR 56 Ca 0.00 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 2lig h THR 56 Cb 1.09 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2lig h THR 56 CO 0.10 0.12 0.01 -0.25 0.37 0.00 0.00 175.52 175.87 2lig h TRP 57 N 0.36 1.10 0.24 3.16 -0.00 -0.69 -1.07 115.95 119.04 2lig h TRP 57 Ca 0.10 -0.18 0.01 0.00 -0.00 0.00 0.00 58.89 58.82 2lig h TRP 57 Cb 0.05 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 2lig h TRP 57 CO -0.04 0.97 -0.39 0.22 -0.00 0.00 0.00 178.44 179.21 2lig h ASP 58 N 0.94 -1.11 -0.58 2.65 3.58 -0.77 -0.96 116.42 120.17 2lig h ASP 58 Ca 0.17 0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.64 2lig h ASP 58 Cb 0.52 0.40 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 2lig h ASP 58 CO 0.03 -0.50 0.01 -0.07 -2.88 0.00 0.00 179.24 175.83 2lig h LEU 59 N -0.70 1.01 -1.22 2.28 -0.00 -1.22 0.17 115.31 115.63 2lig h LEU 59 Ca -0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 2lig h LEU 59 Cb 0.68 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 2lig h LEU 59 CO -0.16 1.06 0.36 0.24 -0.00 0.00 0.00 178.44 179.94 2lig h MET 60 N 0.95 0.89 -0.10 1.13 2.86 -0.94 0.84 114.93 120.57 2lig h MET 60 Ca 0.17 -0.09 -0.17 0.00 -2.06 0.00 0.00 59.70 57.55 2lig h MET 60 Cb 0.53 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2lig h MET 60 CO 0.03 0.65 -0.66 -0.07 1.06 0.00 0.00 176.91 177.92 2lig h LEU 61 N 0.90 0.47 -0.84 1.22 4.07 -0.10 -0.16 115.31 120.89 2lig h LEU 61 Ca 0.23 -0.29 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 2lig h LEU 61 Cb 0.02 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 2lig h LEU 61 CO -0.04 1.00 -0.58 1.56 -1.08 0.00 0.00 178.44 179.31 2lig h GLN 62 N 0.29 0.00 -0.92 1.13 4.20 -0.17 -1.55 115.11 118.09 2lig h GLN 62 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2lig h GLN 62 Cb 1.21 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.95 2lig h GLN 62 CO 0.11 0.58 0.58 1.15 -0.67 0.00 0.00 178.83 180.58 2lig h THR 63 N 0.00 1.24 -0.49 -0.54 2.02 -0.34 -0.81 112.91 114.00 2lig h THR 63 Ca -0.01 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 2lig h THR 63 Cb 1.03 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2lig h THR 63 CO 0.07 0.25 -0.06 -0.09 0.37 0.00 0.00 175.52 176.06 2lig h ARG 64 N 1.25 0.87 -0.08 6.66 9.65 -0.37 -1.45 114.38 130.92 2lig h ARG 64 Ca 0.33 -0.28 -0.11 0.00 -1.10 0.00 0.00 59.98 58.83 2lig h ARG 64 Cb -0.10 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.41 2lig h ARG 64 CO -0.07 0.90 -0.36 0.82 2.80 0.00 0.00 179.97 184.06 2lig h ILE 65 N 0.79 1.41 -0.60 1.20 2.04 -1.08 0.11 117.51 121.39 2lig h ILE 65 Ca 0.14 -1.76 0.12 0.00 1.00 0.00 0.00 64.86 64.36 2lig h ILE 65 Cb 0.56 2.31 -0.10 0.00 -0.74 0.00 0.00 36.82 38.85 2lig h ILE 65 CO 0.03 0.51 0.03 0.78 0.00 0.00 0.00 178.15 179.50 2lig h ASN 66 N -0.10 -0.20 -0.11 1.72 2.35 -1.06 -0.58 115.58 117.61 2lig h ASN 66 Ca -0.02 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2lig h ASN 66 Cb 1.02 0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2lig h ASN 66 CO 0.08 -0.08 0.01 -0.07 -1.65 0.00 0.00 177.43 175.71 2lig h LEU 67 N 0.15 0.18 -0.46 1.61 3.38 -1.04 -1.90 115.31 117.23 2lig h LEU 67 Ca 0.31 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2lig h LEU 67 Cb 0.49 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2lig h LEU 67 CO -0.48 0.43 0.02 0.28 0.09 0.00 0.00 178.44 178.77 2lig h SER 68 N -0.07 0.79 -0.80 -0.43 0.02 -0.65 0.22 113.55 112.63 2lig h SER 68 Ca 0.03 -0.30 0.12 0.00 -0.84 0.00 0.00 61.79 60.80 2lig h SER 68 Cb 0.33 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 2lig h SER 68 CO 0.00 0.89 0.52 0.03 -1.14 0.00 0.00 176.83 177.14 2lig h ARG 69 N 0.66 0.62 -0.10 3.45 3.08 -1.14 -1.83 114.38 119.13 2lig h ARG 69 Ca 0.13 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2lig h ARG 69 Cb 0.48 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2lig h ARG 69 CO 0.02 0.41 -0.28 1.03 -1.07 0.00 0.00 179.97 180.08 2lig h SER 70 N 0.64 0.42 -0.63 7.04 0.87 -0.53 -3.01 113.55 118.35 2lig h SER 70 Ca 0.38 -0.60 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2lig h SER 70 Cb 0.60 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2lig h SER 70 CO -0.15 0.94 0.08 0.00 -0.53 0.00 0.00 176.83 177.17 2lig h ALA 71 N 0.48 0.93 -0.93 6.23 0.00 -0.08 -0.49 119.26 125.40 2lig h ALA 71 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2lig h ALA 71 Cb 0.90 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2lig h ALA 71 CO 0.06 0.66 0.61 0.00 0.00 0.00 0.00 179.25 180.58 2lig h ALA 72 N 1.08 1.18 -0.02 0.00 0.00 -1.46 -2.70 119.26 117.34 2lig h ALA 72 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2lig h ALA 72 Cb 0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2lig h ALA 72 CO 0.02 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 2lig h ARG 73 N 1.26 0.03 0.00 0.00 3.08 -1.27 -2.88 114.38 114.60 2lig h ARG 73 Ca 0.34 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 2lig h ARG 73 Cb -0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2lig h ARG 73 CO -0.07 0.33 -0.18 0.52 -1.07 0.00 0.00 179.97 179.49 2lig h MET 74 N 0.03 0.00 -0.01 0.04 2.86 -0.77 -2.80 114.93 114.28 2lig h MET 74 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2lig h MET 74 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2lig h MET 74 CO 0.04 0.18 -0.13 -1.33 1.06 0.00 0.00 176.91 176.74 2lig n MET 75 N -3.57 1.00 -0.25 1.72 2.81 -1.09 -4.92 117.12 112.81 2lig n MET 75 Ca -0.01 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 2lig n MET 75 Cb 0.33 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2lig n MET 75 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2lig n MET 76 N -0.58 0.86 -0.38 0.03 2.00 -1.06 -4.51 117.12 113.48 2lig n MET 76 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2lig n MET 76 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.53 2lig n MET 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2lig n ASP 77 N -1.97 0.00 -4.20 7.83 2.03 -0.92 -4.88 116.55 114.44 2lig n ASP 77 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2lig n ASP 77 Cb 0.00 -0.75 -0.02 0.00 -0.72 0.00 0.00 41.12 39.62 2lig n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2lig n ALA 78 N 0.67 4.16 -1.90 -1.67 0.00 -1.26 -4.36 120.51 116.15 2lig n ALA 78 Ca 0.00 -4.66 -0.11 0.00 0.00 0.00 0.00 53.44 48.67 2lig n ALA 78 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 2lig n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2lig n SER 79 N 2.35 -3.84 -3.04 0.00 7.64 -1.26 -4.95 113.62 110.52 2lig n SER 79 Ca 0.24 0.09 -0.11 0.00 1.01 0.00 0.00 58.87 60.09 2lig n SER 79 Cb 0.38 -2.81 -0.00 0.00 -1.01 0.00 0.00 64.21 60.76 2lig n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2lig s ASN 80 N -2.64 0.39 1.26 6.43 2.20 -1.26 -5.19 114.94 116.14 2lig s ASN 80 Ca 0.00 -1.29 -0.15 0.00 -0.94 0.00 0.00 52.86 50.48 2lig s ASN 80 Cb 0.00 0.78 0.22 0.00 -2.00 0.00 0.00 41.25 40.25 2lig s ASN 80 CO 0.00 -1.54 0.58 0.00 -2.94 0.00 0.00 177.10 173.20 2lig n GLN 81 N -0.55 -3.40 0.00 3.55 10.64 -1.26 -2.57 117.38 123.80 2lig n GLN 81 Ca -0.05 -0.96 0.00 0.00 -1.83 0.00 0.00 57.00 54.17 2lig n GLN 81 Cb 0.61 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 2lig n GLN 81 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2lig n GLN 82 N -4.16 0.00 0.00 2.61 10.64 -1.26 -2.16 117.38 123.05 2lig n GLN 82 Ca 0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 2lig n GLN 82 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.75 2lig n GLN 82 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2lig n SER 83 N -0.81 0.00 0.25 2.61 3.41 -1.26 -4.63 113.62 113.18 2lig n SER 83 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 2lig n SER 83 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 2lig n SER 83 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2lig h SER 84 N 0.00 0.00 0.18 4.04 4.64 -1.90 -1.89 113.55 118.62 2lig h SER 84 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2lig h SER 84 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2lig h SER 84 CO 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.81 2lig n ALA 85 N -1.46 2.86 0.30 5.18 0.00 -1.26 -4.19 120.51 121.94 2lig n ALA 85 Ca -0.00 -0.38 0.18 0.00 0.00 0.00 0.00 53.44 53.23 2lig n ALA 85 Cb 0.75 -1.19 0.98 0.00 0.00 0.00 0.00 19.45 19.98 2lig n ALA 85 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2lig h LYS 86 N 1.37 0.00 0.00 0.00 2.10 -1.67 0.22 116.57 118.59 2lig h LYS 86 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2lig h LYS 86 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2lig h LYS 86 CO 0.00 0.03 -1.02 0.25 -2.00 0.00 0.00 179.45 176.70 2lig n THR 87 N -3.45 0.34 -0.07 0.07 -2.24 -1.26 -2.74 114.28 104.94 2lig n THR 87 Ca -0.02 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2lig n THR 87 Cb 0.13 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 2lig n THR 87 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2lig h ASP 88 N 0.00 0.51 -0.75 3.42 3.32 -0.86 0.15 116.42 122.21 2lig h ASP 88 Ca 0.00 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2lig h ASP 88 Cb 0.84 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 2lig h ASP 88 CO 0.00 0.88 0.45 -0.07 -1.72 0.00 0.00 179.24 178.77 2lig h LEU 89 N 0.14 0.70 -0.38 1.55 4.07 -1.34 0.13 115.31 120.19 2lig h LEU 89 Ca 0.03 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.82 2lig h LEU 89 Cb 0.73 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2lig h LEU 89 CO 0.05 0.46 -0.79 0.25 -1.08 0.00 0.00 178.44 177.32 2lig h LEU 90 N 0.83 0.35 -0.63 1.67 6.46 -1.20 -1.02 115.31 121.77 2lig h LEU 90 Ca 0.32 -0.25 -0.15 0.00 -0.12 0.00 0.00 57.88 57.68 2lig h LEU 90 Cb 0.14 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2lig h LEU 90 CO -0.16 1.01 -0.65 1.56 -0.62 0.00 0.00 178.44 179.57 2lig h GLN 91 N 0.18 0.15 0.00 1.25 1.08 0.83 -2.66 115.11 115.95 2lig h GLN 91 Ca -0.04 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 2lig h GLN 91 Cb 1.38 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 2lig h GLN 91 CO 0.13 0.75 -0.45 -0.91 -0.95 0.00 0.00 178.83 177.40 2lig h ASN 92 N 0.10 0.00 0.57 1.46 -0.26 -0.36 -2.56 115.58 114.54 2lig h ASN 92 Ca -0.01 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.51 2lig h ASN 92 Cb 1.17 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 2lig h ASN 92 CO 0.09 0.45 -0.97 0.00 -1.06 0.00 0.00 177.43 175.94 2lig h ALA 93 N 1.55 0.39 -0.96 -0.83 0.00 -0.86 -2.62 119.26 115.94 2lig h ALA 93 Ca -0.00 -0.77 0.09 0.00 0.00 0.00 0.00 54.91 54.23 2lig h ALA 93 Cb 0.96 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2lig h ALA 93 CO 0.06 0.93 0.62 0.87 0.00 0.00 0.00 179.25 181.72 2lig h LYS 94 N 0.12 1.00 -0.25 0.00 1.57 -1.19 -2.28 116.57 115.53 2lig h LYS 94 Ca -0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2lig h LYS 94 Cb 1.63 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 2lig h LYS 94 CO 0.15 0.66 -0.05 1.15 -0.57 0.00 0.00 179.45 180.79 2lig h THR 95 N 1.03 1.28 -0.04 -0.16 2.02 -1.32 -2.29 112.91 113.43 2lig h THR 95 Ca 0.44 -1.04 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 2lig h THR 95 Cb 0.32 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2lig h THR 95 CO -0.19 0.33 -0.50 0.71 0.37 0.00 0.00 175.52 176.23 2lig h THR 96 N 0.22 1.36 -0.20 3.16 1.35 -1.46 -0.50 112.91 116.84 2lig h THR 96 Ca 0.06 -1.73 -0.16 0.00 -0.55 0.00 0.00 66.41 64.03 2lig h THR 96 Cb 0.51 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2lig h THR 96 CO 0.02 0.50 -0.52 0.25 -0.25 0.00 0.00 175.52 175.53 2lig h LEU 97 N 0.08 0.80 -1.38 3.87 5.85 -1.39 -0.41 115.31 122.73 2lig h LEU 97 Ca 0.00 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2lig h LEU 97 Cb 0.92 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2lig h LEU 97 CO 0.07 1.23 0.13 0.00 -0.34 0.00 0.00 178.44 179.54 2lig h ALA 98 N 0.59 1.51 -0.13 1.25 0.00 -1.23 -1.79 119.26 119.47 2lig h ALA 98 Ca -0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 2lig h ALA 98 Cb 1.14 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2lig h ALA 98 CO 0.11 0.37 -0.77 0.37 0.00 0.00 0.00 179.25 179.34 2lig h GLN 99 N 0.55 0.68 -0.71 0.00 4.15 -0.90 -1.64 115.11 117.24 2lig h GLN 99 Ca 0.13 -0.56 0.03 0.00 0.77 0.00 0.00 58.65 59.03 2lig h GLN 99 Cb 0.15 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2lig h GLN 99 CO -0.01 1.17 0.44 0.00 -1.93 0.00 0.00 178.83 178.50 2lig h ALA 100 N 0.67 0.92 -0.23 3.38 0.00 -0.67 -1.72 119.26 121.61 2lig h ALA 100 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2lig h ALA 100 Cb 1.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2lig h ALA 100 CO 0.15 0.21 -0.39 0.00 0.00 0.00 0.00 179.25 179.23 2lig h ALA 101 N 1.30 0.90 -0.39 0.00 0.00 -1.23 -1.94 119.26 117.90 2lig h ALA 101 Ca 0.28 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2lig h ALA 101 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2lig h ALA 101 CO -0.11 0.63 -0.33 0.00 0.00 0.00 0.00 179.25 179.44 2lig h ALA 102 N 1.15 0.66 -0.16 0.00 0.00 -1.00 -0.96 119.26 118.95 2lig h ALA 102 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2lig h ALA 102 Cb 0.87 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2lig h ALA 102 CO 0.07 0.67 -0.01 0.45 0.00 0.00 0.00 179.25 180.44 2lig h HIS 103 N 0.75 -0.03 -0.59 0.00 3.86 -1.18 -2.66 115.15 115.30 2lig h HIS 103 Ca 0.07 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2lig h HIS 103 Cb 0.91 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.38 2lig h HIS 103 CO 0.06 -0.03 0.37 -0.92 0.86 0.00 0.00 177.93 178.26 2lig h TYR 104 N 0.04 0.69 -0.89 2.45 3.20 -1.25 -1.61 116.97 119.59 2lig h TYR 104 Ca 0.08 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.10 2lig h TYR 104 Cb 0.10 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.05 2lig h TYR 104 CO -0.17 0.40 0.50 0.00 -1.64 0.00 0.00 178.16 177.26 2lig h ALA 105 N 1.25 1.35 -0.50 1.82 0.00 -1.02 0.25 119.26 122.42 2lig h ALA 105 Ca 0.23 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2lig h ALA 105 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2lig h ALA 105 CO -0.09 0.01 0.21 -0.91 0.00 0.00 0.00 179.25 178.47 2lig h ASN 106 N 0.74 0.26 -0.08 0.00 2.35 -0.96 0.12 115.58 118.01 2lig h ASN 106 Ca 0.47 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.27 2lig h ASN 106 Cb 0.60 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2lig h ASN 106 CO -0.32 0.18 0.04 0.15 -1.65 0.00 0.00 177.43 175.83 2lig h PHE 107 N 0.41 0.11 -0.87 1.19 3.57 -0.75 -2.55 116.94 118.06 2lig h PHE 107 Ca 0.23 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2lig h PHE 107 Cb 0.20 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 2lig h PHE 107 CO -0.13 0.17 0.57 0.87 -2.23 0.00 0.00 178.31 177.56 2lig h LYS 108 N 0.02 1.09 0.00 1.11 1.79 0.50 -1.36 116.57 119.72 2lig h LYS 108 Ca 0.03 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2lig h LYS 108 Cb 0.10 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 2lig h LYS 108 CO -0.00 0.72 0.00 0.09 -1.08 0.00 0.00 179.45 179.18 2lig n ASN 109 N -4.43 0.00 -4.93 0.86 4.13 0.32 -4.83 115.26 106.38 2lig n ASN 109 Ca 0.11 -0.18 -0.25 0.00 1.68 0.00 0.00 54.58 55.94 2lig n ASN 109 Cb 0.07 -0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.15 2lig n ASN 109 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2lig s MET 110 N -2.27 3.52 -0.03 3.52 -1.94 -0.51 -5.02 119.30 116.56 2lig s MET 110 Ca 0.16 -0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 53.54 2lig s MET 110 Cb 0.09 -2.73 -0.06 0.00 2.01 0.00 0.00 34.83 34.14 2lig s MET 110 CO 0.17 0.25 1.73 0.95 -0.01 0.00 0.00 175.02 178.12 2lig s THR 111 N -2.12 3.44 0.05 2.05 -4.23 -1.26 -4.96 115.64 108.61 2lig s THR 111 Ca 0.40 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 61.14 2lig s THR 111 Cb -0.10 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 2lig s THR 111 CO 0.32 -0.05 1.05 -2.16 -0.54 0.00 0.00 174.62 173.24 2lig s PRO 112 N 4.16 4.55 0.16 3.99 0.04 -1.26 -5.02 135.00 141.62 2lig s PRO 112 Ca 0.77 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 63.08 2lig s PRO 112 Cb -0.36 -3.40 -0.08 0.00 0.04 0.00 0.00 34.50 30.71 2lig s PRO 112 CO 0.33 -0.05 0.86 -0.51 0.04 0.00 0.00 177.00 177.66 2lig s LEU 113 N 0.74 4.58 0.18 -3.56 1.02 -1.26 -4.94 118.68 115.44 2lig s LEU 113 Ca 0.53 1.74 -0.25 0.00 0.02 0.00 0.00 54.13 56.16 2lig s LEU 113 Cb -0.24 -3.43 0.06 0.00 0.02 0.00 0.00 46.19 42.60 2lig s LEU 113 CO 0.29 0.12 1.55 -0.65 0.02 0.00 0.00 176.35 177.69 2lig h PRO 114 N 4.67 -0.09 -0.05 1.29 0.11 -2.01 -1.00 132.00 134.92 2lig h PRO 114 Ca -0.45 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 2lig h PRO 114 Cb 1.20 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2lig h PRO 114 CO 0.68 -0.06 0.09 0.00 -0.21 0.00 0.00 178.00 178.51 2lig h ALA 115 N 0.79 1.42 0.00 -0.75 0.00 -2.01 -1.93 119.26 116.78 2lig h ALA 115 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2lig h ALA 115 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2lig h ALA 115 CO -0.85 -0.12 -0.94 -1.33 0.00 0.00 0.00 179.25 176.00 2lig n MET 116 N -3.49 0.12 -0.36 0.00 2.81 -0.45 -4.61 117.12 111.13 2lig n MET 116 Ca -0.02 -0.01 0.09 0.00 -1.81 0.00 0.00 57.70 55.95 2lig n MET 116 Cb 0.18 -1.53 0.27 0.00 -0.71 0.00 0.00 33.22 31.43 2lig n MET 116 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2lig h ALA 117 N 2.82 1.57 -0.01 3.04 0.00 -0.55 0.35 119.26 126.47 2lig h ALA 117 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2lig h ALA 117 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2lig h ALA 117 CO 0.00 0.13 -0.08 1.49 0.00 0.00 0.00 179.25 180.80 2lig h GLU 118 N 0.92 0.08 -0.45 0.00 4.81 -1.81 -1.39 114.58 116.72 2lig h GLU 118 Ca 0.53 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.76 2lig h GLU 118 Cb 0.63 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 2lig h GLU 118 CO -0.31 0.73 0.13 0.00 -0.73 0.00 0.00 179.01 178.83 2lig h ALA 119 N 0.35 0.53 -0.44 2.92 0.00 -1.81 -2.18 119.26 118.62 2lig h ALA 119 Ca -0.01 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2lig h ALA 119 Cb 0.75 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2lig h ALA 119 CO 0.02 -0.27 0.18 0.77 0.00 0.00 0.00 179.25 179.94 2lig h SER 120 N 0.28 0.22 -0.97 0.00 0.02 -0.88 0.22 113.55 112.43 2lig h SER 120 Ca 0.22 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 2lig h SER 120 Cb 0.25 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2lig h SER 120 CO -0.25 0.16 0.63 0.00 -1.14 0.00 0.00 176.83 176.23 2lig h ALA 121 N 1.27 1.31 -0.10 3.77 0.00 -0.72 -0.84 119.26 123.94 2lig h ALA 121 Ca 0.20 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 2lig h ALA 121 Cb 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2lig h ALA 121 CO -0.18 0.50 -0.84 -0.97 0.00 0.00 0.00 179.25 177.76 2lig h ASN 122 N 1.21 0.85 -0.82 0.00 -0.00 -0.72 -2.67 115.58 113.42 2lig h ASN 122 Ca 0.40 -0.59 -0.02 0.00 -0.00 0.00 0.00 56.30 56.09 2lig h ASN 122 Cb 0.04 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.07 2lig h ASN 122 CO -0.14 1.38 0.43 0.58 -0.00 0.00 0.00 177.43 179.69 2lig h VAL 123 N 0.45 1.25 -0.00 2.57 2.07 -0.38 -2.91 116.25 119.29 2lig h VAL 123 Ca -0.07 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2lig h VAL 123 Cb 1.47 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2lig h VAL 123 CO 0.17 0.28 -0.12 -0.78 0.02 0.00 0.00 177.57 177.14 2lig h ASP 124 N 1.14 -0.34 -0.00 0.57 3.58 -0.85 -0.57 116.42 119.96 2lig h ASP 124 Ca 0.29 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.82 2lig h ASP 124 Cb 0.06 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 2lig h ASP 124 CO -0.04 -0.17 -0.27 -0.08 -2.88 0.00 0.00 179.24 175.80 2lig h GLU 125 N -0.20 -0.40 -0.10 0.28 4.81 -1.46 -0.08 114.58 117.44 2lig h GLU 125 Ca 0.04 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2lig h GLU 125 Cb 0.26 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2lig h GLU 125 CO -0.12 -0.26 -0.37 0.87 -0.73 0.00 0.00 179.01 178.39 2lig h LYS 126 N -0.41 0.21 0.66 1.92 6.56 -1.36 -2.55 116.57 121.59 2lig h LYS 126 Ca 0.06 -0.09 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2lig h LYS 126 Cb 0.50 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2lig h LYS 126 CO -0.24 0.56 -0.32 -0.92 -2.06 0.00 0.00 179.45 176.47 2lig h TYR 127 N 0.18 -0.83 -0.91 -1.35 3.20 -0.89 -1.70 116.97 114.67 2lig h TYR 127 Ca 0.02 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.01 2lig h TYR 127 Cb 0.74 0.27 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 2lig h TYR 127 CO 0.01 -0.48 0.52 0.37 -1.64 0.00 0.00 178.16 176.94 2lig h GLN 128 N -1.06 0.73 -0.38 1.82 5.75 -0.90 0.60 115.11 121.67 2lig h GLN 128 Ca -0.09 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.25 2lig h GLN 128 Cb 0.72 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2lig h GLN 128 CO 0.15 0.48 -0.21 -0.09 -2.65 0.00 0.00 178.83 176.51 2lig h ARG 129 N 0.75 0.82 0.00 1.69 2.43 -1.43 -2.13 114.38 116.52 2lig h ARG 129 Ca 0.48 -0.37 -0.21 0.00 -0.81 0.00 0.00 59.98 59.07 2lig h ARG 129 Cb 0.63 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2lig h ARG 129 CO -0.33 1.01 -0.92 -0.92 -1.51 0.00 0.00 179.97 177.30 2lig h TYR 130 N 0.63 0.46 -0.76 2.20 3.20 -0.26 -0.55 116.97 121.88 2lig h TYR 130 Ca 0.08 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 2lig h TYR 130 Cb 0.77 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2lig h TYR 130 CO 0.06 1.07 0.34 0.37 -1.64 0.00 0.00 178.16 178.36 2lig h GLN 131 N 0.17 1.12 -0.17 1.82 -0.00 -0.91 -1.74 115.11 115.39 2lig h GLN 131 Ca -0.06 -0.18 -0.15 0.00 -0.00 0.00 0.00 58.65 58.26 2lig h GLN 131 Cb 1.55 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.83 2lig h GLN 131 CO 0.15 0.89 -0.52 0.00 0.00 0.00 0.00 178.83 179.35 2lig h ALA 132 N 1.17 0.78 -0.01 3.38 0.00 -1.26 -1.39 119.26 121.94 2lig h ALA 132 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2lig h ALA 132 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2lig h ALA 132 CO -0.03 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 2lig h ALA 133 N 1.06 -0.00 -0.19 0.00 0.00 -0.44 -2.23 119.26 117.46 2lig h ALA 133 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2lig h ALA 133 Cb 1.04 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2lig h ALA 133 CO 0.09 -0.51 -0.10 -0.07 0.00 0.00 0.00 179.25 178.67 2lig h LEU 134 N -0.01 -0.33 -1.40 0.00 4.07 -1.31 -0.80 115.31 115.53 2lig h LEU 134 Ca 0.01 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.07 2lig h LEU 134 Cb 0.02 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 2lig h LEU 134 CO -0.02 -0.13 0.43 0.00 -1.08 0.00 0.00 178.44 177.64 2lig h ALA 135 N 1.07 1.62 -0.57 1.53 0.00 -1.19 -0.52 119.26 121.20 2lig h ALA 135 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2lig h ALA 135 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2lig h ALA 135 CO -0.24 0.32 0.08 0.93 0.00 0.00 0.00 179.25 180.34 2lig h GLU 136 N 0.79 0.95 -0.15 0.00 5.08 -0.56 -2.78 114.58 117.91 2lig h GLU 136 Ca 0.25 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2lig h GLU 136 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2lig h GLU 136 CO -0.07 0.92 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.39 2lig h LEU 137 N 0.84 0.36 -0.70 1.33 3.38 -0.09 -0.64 115.31 119.79 2lig h LEU 137 Ca 0.17 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2lig h LEU 137 Cb 0.44 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2lig h LEU 137 CO 0.01 0.73 0.32 0.40 0.09 0.00 0.00 178.44 179.99 2lig h ILE 138 N 0.29 0.79 0.11 1.22 2.04 -0.98 -1.12 117.51 119.86 2lig h ILE 138 Ca 0.03 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2lig h ILE 138 Cb 0.83 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2lig h ILE 138 CO 0.07 0.10 -0.05 1.56 0.00 0.00 0.00 178.15 179.82 2lig h GLN 139 N 0.53 -0.14 -0.73 2.37 4.20 -0.93 -0.91 115.11 119.49 2lig h GLN 139 Ca 0.36 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.18 2lig h GLN 139 Cb 0.43 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2lig h GLN 139 CO -0.31 0.01 0.37 0.74 -0.67 0.00 0.00 178.83 178.97 2lig h PHE 140 N -0.26 0.66 -0.09 2.96 0.04 -0.99 -1.04 116.94 118.21 2lig h PHE 140 Ca -0.02 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.64 2lig h PHE 140 Cb 0.22 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2lig h PHE 140 CO -0.03 0.23 -0.58 -0.07 -0.60 0.00 0.00 178.31 177.25 2lig h LEU 141 N 0.61 0.31 -1.02 1.54 3.38 -1.11 0.33 115.31 119.37 2lig h LEU 141 Ca 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2lig h LEU 141 Cb 0.40 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2lig h LEU 141 CO -0.28 0.83 0.41 0.44 0.09 0.00 0.00 178.44 179.93 2lig h ASP 142 N 0.21 0.99 0.48 -0.43 3.32 -0.56 -0.27 116.42 120.17 2lig h ASP 142 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2lig h ASP 142 Cb 1.09 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2lig h ASP 142 CO 0.09 0.81 0.00 0.59 -1.72 0.00 0.00 179.24 179.02 2lig n ASN 143 N -4.34 0.00 0.00 6.45 3.02 -0.45 -4.89 115.26 115.05 2lig n ASN 143 Ca 0.08 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2lig n ASN 143 Cb 0.11 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2lig n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2lig n GLY 144 N 1.12 0.46 3.34 7.41 0.00 -0.11 -4.98 105.19 112.43 2lig n GLY 144 Ca 0.14 -0.41 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 2lig n GLY 144 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2lig s ASN 145 N -2.37 6.39 0.33 1.61 3.84 0.04 -4.88 114.94 119.90 2lig s ASN 145 Ca 0.00 -1.99 0.01 0.00 0.21 0.00 0.00 52.86 51.10 2lig s ASN 145 Cb 0.00 -2.25 0.56 0.00 -0.55 0.00 0.00 41.25 39.01 2lig s ASN 145 CO 0.00 -0.85 1.94 0.24 -2.79 0.00 0.00 177.10 175.64 2lig h MET 146 N 8.63 0.81 -0.28 0.43 2.86 -1.94 -2.69 114.93 122.75 2lig h MET 146 Ca -0.14 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 2lig h MET 146 Cb 1.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2lig h MET 146 CO 0.98 0.61 -0.09 -0.44 1.06 0.00 0.00 176.91 179.03 2lig h ASP 147 N 0.81 0.56 -0.18 1.22 3.32 -1.97 -1.70 116.42 118.49 2lig h ASP 147 Ca 0.20 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.90 2lig h ASP 147 Cb 0.06 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2lig h ASP 147 CO -0.03 0.81 -0.00 0.00 -1.72 0.00 0.00 179.24 178.30 2lig h ALA 148 N 0.77 0.15 -0.35 3.45 0.00 -1.96 -0.95 119.26 120.38 2lig h ALA 148 Ca 0.07 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2lig h ALA 148 Cb 0.58 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 2lig h ALA 148 CO 0.03 -0.44 -0.25 -0.92 0.00 0.00 0.00 179.25 177.67 2lig h TYR 149 N 0.05 -0.65 0.00 0.00 5.03 -1.24 -1.76 116.97 118.40 2lig h TYR 149 Ca 0.08 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2lig h TYR 149 Cb 0.10 0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.72 2lig h TYR 149 CO -0.17 -0.32 0.00 1.19 -1.32 0.00 0.00 178.16 177.54 2lig n PHE 150 N -5.39 0.72 0.21 -3.82 3.72 -0.66 -3.11 117.46 109.13 2lig n PHE 150 Ca 0.01 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.73 2lig n PHE 150 Cb 0.30 -0.85 0.15 0.00 -0.94 0.00 0.00 39.48 38.15 2lig n PHE 150 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2lig h ALA 151 N 2.61 0.95 -2.51 4.37 0.00 -0.30 -3.44 119.26 120.95 2lig h ALA 151 Ca 0.00 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 2lig h ALA 151 Cb 0.66 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2lig h ALA 151 CO 0.00 0.09 0.62 -1.14 0.00 0.00 0.00 179.25 178.81 2lig s GLN 152 N -3.18 4.39 -1.41 0.00 -0.44 -0.94 -4.95 119.66 113.14 2lig s GLN 152 Ca 0.07 1.88 -0.07 0.00 -2.50 0.00 0.00 55.36 54.73 2lig s GLN 152 Cb 0.05 -3.31 0.06 0.00 -1.64 0.00 0.00 33.01 28.18 2lig s GLN 152 CO 0.68 -0.32 2.51 -0.35 0.50 0.00 0.00 175.29 178.31 2lig n PRO 153 N 3.92 4.26 -0.11 1.67 -0.04 -1.26 -4.85 135.00 138.59 2lig n PRO 153 Ca 0.10 -3.11 -0.05 0.00 -0.04 0.00 0.00 63.50 60.40 2lig n PRO 153 Cb 0.45 -2.71 0.02 0.00 -0.04 0.00 0.00 33.50 31.22 2lig n PRO 153 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2lig h THR 154 N 2.81 0.74 -0.94 0.52 2.02 -1.92 -3.07 112.91 113.06 2lig h THR 154 Ca 0.73 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.91 2lig h THR 154 Cb 0.32 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2lig h THR 154 CO 1.58 0.02 0.62 -0.61 0.37 0.00 0.00 175.52 177.50 2lig h GLN 155 N 0.12 1.14 -0.15 6.66 5.75 -1.99 -0.32 115.11 126.32 2lig h GLN 155 Ca 0.18 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 2lig h GLN 155 Cb 0.24 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2lig h GLN 155 CO -0.29 0.75 -0.19 0.78 -2.65 0.00 0.00 178.83 177.23 2lig h GLY 156 N 1.17 -0.14 1.51 2.39 0.00 -1.96 -0.45 103.07 105.60 2lig h GLY 156 Ca 0.38 0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.83 2lig h GLY 156 CO -0.12 -0.18 -0.32 -0.33 0.00 0.00 0.00 176.54 175.59 2lig h MET 157 N -0.23 0.55 -0.10 4.80 2.86 -1.39 -0.30 114.93 121.12 2lig h MET 157 Ca 0.11 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2lig h MET 157 Cb 0.39 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2lig h MET 157 CO -0.29 0.81 0.02 0.37 1.06 0.00 0.00 176.91 178.88 2lig h GLN 158 N 0.47 0.16 -0.86 1.72 4.15 -0.72 -2.01 115.11 118.03 2lig h GLN 158 Ca 0.06 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2lig h GLN 158 Cb 0.79 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 2lig h GLN 158 CO 0.06 0.36 0.46 -0.91 -1.93 0.00 0.00 178.83 176.87 2lig h ASN 159 N -0.06 1.08 -0.17 -0.69 2.35 -0.81 -0.02 115.58 117.26 2lig h ASN 159 Ca 0.03 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2lig h ASN 159 Cb 0.27 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2lig h ASN 159 CO 0.00 0.88 -0.05 0.00 -1.65 0.00 0.00 177.43 176.61 2lig h ALA 160 N 1.25 0.11 -0.03 -0.83 0.00 -0.99 0.16 119.26 118.93 2lig h ALA 160 Ca 0.30 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2lig h ALA 160 Cb 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2lig h ALA 160 CO -0.05 -0.48 -0.54 1.25 0.00 0.00 0.00 179.25 179.43 2lig h LEU 161 N -0.01 0.09 -0.83 0.00 5.85 -0.55 -2.39 115.31 117.48 2lig h LEU 161 Ca 0.08 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2lig h LEU 161 Cb 0.13 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2lig h LEU 161 CO -0.18 0.61 0.39 1.23 -0.34 0.00 0.00 178.44 180.16 2lig h GLY 162 N 1.54 1.29 0.84 3.75 0.00 -0.11 -0.31 103.07 110.08 2lig h GLY 162 Ca -0.00 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.70 2lig h GLY 162 CO 0.07 0.61 -0.01 -2.09 0.00 0.00 0.00 176.54 175.12 2lig h GLU 163 N 1.18 0.01 -0.66 4.80 4.57 -0.50 -0.71 114.58 123.28 2lig h GLU 163 Ca 0.28 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 2lig h GLU 163 Cb 0.13 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2lig h GLU 163 CO -0.03 0.01 0.19 0.00 -1.18 0.00 0.00 179.01 178.00 2lig h ALA 164 N 1.08 1.10 -0.21 2.92 0.00 -1.29 -0.47 119.26 122.40 2lig h ALA 164 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2lig h ALA 164 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2lig h ALA 164 CO -0.08 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.47 2lig h LEU 165 N 0.97 0.39 -0.66 0.00 3.38 -0.95 -0.03 115.31 118.41 2lig h LEU 165 Ca 0.21 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2lig h LEU 165 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2lig h LEU 165 CO -0.01 0.63 -0.28 1.23 0.09 0.00 0.00 178.44 180.10 2lig h GLY 166 N 0.99 0.81 1.04 0.83 0.00 0.39 -1.61 103.07 105.52 2lig h GLY 166 Ca 0.06 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 2lig h GLY 166 CO 0.04 0.66 -0.09 -0.57 0.00 0.00 0.00 176.54 176.58 2lig h ASN 167 N 0.64 0.92 -0.85 0.19 -0.73 -0.64 0.59 115.58 115.69 2lig h ASN 167 Ca 0.08 -0.35 -0.00 0.00 1.87 0.00 0.00 56.30 57.90 2lig h ASN 167 Cb 0.80 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 39.09 2lig h ASN 167 CO 0.07 1.06 0.53 0.22 -0.37 0.00 0.00 177.43 178.93 2lig h TYR 168 N 0.77 1.11 -0.31 0.67 5.03 -0.78 0.21 116.97 123.67 2lig h TYR 168 Ca 0.13 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.32 2lig h TYR 168 Cb 0.64 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2lig h TYR 168 CO 0.05 0.73 -0.27 0.00 -1.32 0.00 0.00 178.16 177.34 2lig h ALA 169 N 1.41 0.46 0.57 1.82 0.00 -0.41 -1.13 119.26 121.97 2lig h ALA 169 Ca 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2lig h ALA 169 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2lig h ALA 169 CO -0.06 0.46 -0.38 -0.09 0.00 0.00 0.00 179.25 179.18 2lig h ARG 170 N 0.50 -0.88 -0.49 0.00 2.43 -0.25 -1.19 114.38 114.48 2lig h ARG 170 Ca 0.05 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2lig h ARG 170 Cb 0.84 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 2lig h ARG 170 CO 0.07 -0.59 0.24 0.28 -1.51 0.00 0.00 179.97 178.46 2lig h VAL 171 N -0.92 1.17 -0.29 0.20 2.07 -0.47 -2.20 116.25 115.81 2lig h VAL 171 Ca -0.07 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2lig h VAL 171 Cb 0.75 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2lig h VAL 171 CO 0.05 0.19 0.12 -1.28 0.02 0.00 0.00 177.57 176.67 2lig h SER 172 N 0.69 0.16 -0.71 0.57 0.87 -1.05 -2.58 113.55 111.50 2lig h SER 172 Ca 0.17 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2lig h SER 172 Cb 0.07 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2lig h SER 172 CO -0.02 0.13 0.36 -0.08 -0.53 0.00 0.00 176.83 176.68 2lig h GLU 173 N 0.26 1.00 -0.58 2.24 4.57 -0.95 -1.36 114.58 119.75 2lig h GLU 173 Ca 0.12 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2lig h GLU 173 Cb 0.07 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 2lig h GLU 173 CO -0.11 0.77 0.32 -0.91 -1.18 0.00 0.00 179.01 177.90 2lig h ASN 174 N 0.98 0.47 -0.36 1.04 2.35 -1.02 -2.01 115.58 117.03 2lig h ASN 174 Ca 0.25 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.86 2lig h ASN 174 Cb 0.08 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2lig h ASN 174 CO -0.04 0.32 -0.37 0.25 -1.65 0.00 0.00 177.43 175.94 2lig h LEU 175 N 0.61 0.97 -0.23 1.61 6.46 -1.26 -2.80 115.31 120.66 2lig h LEU 175 Ca 0.25 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2lig h LEU 175 Cb 0.13 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2lig h LEU 175 CO -0.16 1.23 0.15 0.22 -0.62 0.00 0.00 178.44 179.26 2lig h TYR 176 N 0.75 0.30 -0.93 1.25 3.20 -1.17 -2.77 116.97 117.60 2lig h TYR 176 Ca 0.06 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.03 2lig h TYR 176 Cb 0.96 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 2lig h TYR 176 CO 0.06 0.21 0.60 0.00 -1.64 0.00 0.00 178.16 177.39 2lig h ARG 177 N 0.30 0.92 0.00 1.82 3.08 -1.13 -1.62 114.38 117.74 2lig h ARG 177 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2lig h ARG 177 Cb -0.01 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 2lig h ARG 177 CO -0.02 0.61 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 2lig n GLN 178 N -4.54 0.31 0.24 0.04 10.64 -1.06 -1.87 117.38 121.15 2lig n GLN 178 Ca 0.16 0.07 0.13 0.00 -1.83 0.00 0.00 57.00 55.53 2lig n GLN 178 Cb 0.30 -1.50 0.55 0.00 -0.86 0.00 0.00 30.24 28.73 2lig n GLN 178 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2lig h THR 179 N 0.00 0.37 -4.05 -0.39 2.02 -1.18 -3.45 112.91 106.23 2lig h THR 179 Ca 0.00 -0.88 -0.24 0.00 0.77 0.00 0.00 66.41 66.06 2lig h THR 179 Cb 0.22 1.66 -0.15 0.00 -1.74 0.00 0.00 68.15 68.14 2lig h THR 179 CO 0.00 0.14 -0.66 0.72 0.37 0.00 0.00 175.52 176.09 2lig s PHE 180 N -3.69 1.04 0.00 3.16 -0.71 -0.78 -4.66 117.98 112.34 2lig s PHE 180 Ca 0.01 -1.11 0.00 0.00 -1.04 0.00 0.00 56.93 54.79 2lig s PHE 180 Cb 0.10 -0.60 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 2lig s PHE 180 CO 0.60 -0.34 0.43 -0.25 -1.34 0.00 0.00 175.22 174.32