#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxm n GLY 1 N 0.00 0.82 3.88 5.14 0.00 -1.26 -4.51 105.19 109.26 1bxm n GLY 1 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1bxm n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxm s THR 2 N -0.38 5.35 0.37 2.61 2.01 -1.26 -0.50 115.64 123.84 1bxm s THR 2 Ca 0.00 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 1bxm s THR 2 Cb 0.00 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1bxm s THR 2 CO 0.00 0.51 1.30 0.00 -0.69 0.00 0.00 174.62 175.74 1bxm s THR 4 N -1.21 2.70 0.31 0.00 -4.23 -1.26 -4.79 115.64 107.16 1bxm s THR 4 Ca 0.53 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 1bxm s THR 4 Cb -0.38 -2.86 0.30 0.00 1.34 0.00 0.00 72.50 70.90 1bxm s THR 4 CO 0.50 -0.30 1.85 0.00 -0.54 0.00 0.00 174.62 176.14 1bxm h ALA 5 N -1.38 1.65 -0.22 3.99 0.00 -2.00 -1.59 119.26 119.72 1bxm h ALA 5 Ca -0.49 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1bxm h ALA 5 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bxm h ALA 5 CO 0.58 0.10 -0.41 0.00 0.00 0.00 0.00 179.25 179.52 1bxm h THR 6 N 0.86 1.32 -0.60 0.00 1.03 -2.00 -2.12 112.91 111.41 1bxm h THR 6 Ca 0.47 -1.63 -0.02 0.00 -0.01 0.00 0.00 66.41 65.22 1bxm h THR 6 Cb 0.58 1.81 -0.03 0.00 -1.07 0.00 0.00 68.15 69.44 1bxm h THR 6 CO -0.24 0.51 0.30 1.56 -0.01 0.00 0.00 175.52 177.64 1bxm h GLN 7 N 0.37 0.83 0.00 0.00 4.20 -1.77 -1.54 115.11 117.20 1bxm h GLN 7 Ca 0.01 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1bxm h GLN 7 Cb 1.01 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1bxm h GLN 7 CO 0.09 0.64 -0.00 0.37 -0.67 0.00 0.00 178.83 179.26 1bxm h GLN 8 N 0.84 -0.01 -0.19 1.46 4.15 -1.25 -1.65 115.11 118.47 1bxm h GLN 8 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.64 1bxm h GLN 8 Cb 0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1bxm h GLN 8 CO -0.03 0.40 0.09 1.15 -1.93 0.00 0.00 178.83 178.51 1bxm h THR 9 N -0.42 0.99 -0.07 2.39 2.02 -1.24 0.41 112.91 116.99 1bxm h THR 9 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1bxm h THR 9 Cb 0.41 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1bxm h THR 9 CO 0.00 0.04 0.02 0.00 0.37 0.00 0.00 175.52 175.94 1bxm h ALA 10 N 1.10 1.90 -0.08 6.16 0.00 -1.31 -0.56 119.26 126.46 1bxm h ALA 10 Ca 0.08 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1bxm h ALA 10 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bxm h ALA 10 CO -0.06 0.08 -0.71 0.00 0.00 0.00 0.00 179.25 178.57 1bxm h ALA 11 N 1.92 0.20 -0.86 0.00 0.00 -0.56 -3.00 119.26 116.96 1bxm h ALA 11 Ca 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1bxm h ALA 11 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1bxm h ALA 11 CO -0.00 0.53 0.44 1.88 0.00 0.00 0.00 179.25 182.09 1bxm h TYR 12 N 0.26 1.21 0.00 0.00 0.05 -0.12 -1.20 116.97 117.18 1bxm h TYR 12 Ca -0.07 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1bxm h TYR 12 Cb 1.36 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.72 1bxm h TYR 12 CO 0.11 0.85 0.00 0.45 -1.05 0.00 0.00 178.16 178.52 1bxm h HIS 13 N 1.21 0.00 0.00 4.88 3.86 -1.16 -3.15 115.15 120.80 1bxm h HIS 13 Ca 0.30 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.16 1bxm h HIS 13 Cb 0.07 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 1bxm h HIS 13 CO 0.01 0.00 -2.32 2.41 0.86 0.00 0.00 177.93 178.90 1bxm n THR 14 N -2.34 1.32 0.37 2.45 -1.04 -1.01 -4.53 114.28 109.49 1bxm n THR 14 Ca 0.04 -0.51 0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1bxm n THR 14 Cb 0.34 -1.30 0.47 0.00 -1.82 0.00 0.00 70.33 68.02 1bxm n THR 14 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1bxm h LEU 15 N 0.00 0.00 -2.05 -4.42 3.38 -1.34 -3.21 115.31 107.67 1bxm h LEU 15 Ca -0.52 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.57 1bxm h LEU 15 Cb 1.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1bxm h LEU 15 CO -0.08 0.00 0.36 1.62 0.09 0.00 0.00 178.44 180.43 1bxm h VAL 16 N 0.00 0.54 0.00 1.22 3.04 -1.78 -1.70 116.25 117.58 1bxm h VAL 16 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1bxm h VAL 16 Cb 0.63 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1bxm h VAL 16 CO 0.00 0.00 -0.00 0.77 -1.01 0.00 0.00 177.57 177.33 1bxm h SER 17 N 0.00 0.00 1.54 3.17 4.64 -1.86 -2.53 113.55 118.51 1bxm h SER 17 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1bxm h SER 17 Cb 0.90 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1bxm h SER 17 CO -0.00 0.00 -0.10 0.16 -0.87 0.00 0.00 176.83 176.02 1bxm h ILE 18 N 0.00 0.19 0.00 0.95 3.07 -1.58 -3.09 117.51 117.06 1bxm h ILE 18 Ca -0.00 -1.07 -0.01 0.00 1.55 0.00 0.00 64.86 65.33 1bxm h ILE 18 Cb 0.28 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 38.74 1bxm h ILE 18 CO 0.00 0.10 -0.05 -0.07 -1.05 0.00 0.00 178.15 177.08 1bxm h LEU 19 N 0.00 0.00 -0.81 0.16 4.07 -1.62 -1.85 115.31 115.26 1bxm h LEU 19 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bxm h LEU 19 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1bxm h LEU 19 CO 0.01 0.05 -0.46 -1.54 -1.08 0.00 0.00 178.44 175.43 1bxm n SER 20 N -3.29 1.72 -4.75 -0.43 3.41 -1.17 -4.88 113.62 104.23 1bxm n SER 20 Ca -0.01 -1.33 -0.40 0.00 -0.26 0.00 0.00 58.87 56.87 1bxm n SER 20 Cb 0.22 0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1bxm n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bxm s ASP 21 N -2.52 7.52 0.34 4.04 1.01 -0.70 -4.95 116.67 121.41 1bxm s ASP 21 Ca 0.19 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.49 1bxm s ASP 21 Cb 0.18 -2.61 0.61 0.00 1.01 0.00 0.00 42.92 42.11 1bxm s ASP 21 CO 0.58 0.03 1.92 0.00 0.21 0.00 0.00 175.17 177.91 1bxm h ALA 22 N 4.36 1.43 0.00 5.23 0.00 -1.91 -2.64 119.26 125.72 1bxm h ALA 22 Ca -0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1bxm h ALA 22 Cb 1.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bxm h ALA 22 CO 0.69 0.43 -0.09 0.66 0.00 0.00 0.00 179.25 180.94 1bxm h SER 23 N 0.65 0.00 0.06 0.00 4.64 -1.91 -2.17 113.55 114.82 1bxm h SER 23 Ca 0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1bxm h SER 23 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1bxm h SER 23 CO -0.01 0.09 -0.03 0.15 -0.87 0.00 0.00 176.83 176.16 1bxm h PHE 24 N 0.00 -0.08 -0.21 4.77 3.57 -1.69 -1.24 116.94 122.06 1bxm h PHE 24 Ca -0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1bxm h PHE 24 Cb 0.17 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1bxm h PHE 24 CO 0.00 0.15 -0.45 -0.91 -2.23 0.00 0.00 178.31 174.87 1bxm h ASN 25 N -0.29 0.57 0.20 0.41 4.21 -1.62 -3.04 115.58 116.02 1bxm h ASN 25 Ca -0.01 -0.27 -0.11 0.00 1.21 0.00 0.00 56.30 57.13 1bxm h ASN 25 Cb 0.26 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1bxm h ASN 25 CO 0.01 0.94 -0.40 -0.61 -1.29 0.00 0.00 177.43 176.08 1bxm h GLN 26 N 0.43 0.27 -0.65 0.81 5.75 -1.37 -2.39 115.11 117.95 1bxm h GLN 26 Ca 0.03 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1bxm h GLN 26 Cb 0.95 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 1bxm h GLN 26 CO 0.08 0.63 0.20 0.00 -2.65 0.00 0.00 178.83 177.09 1bxm h SER 28 N 0.95 0.85 -0.14 0.00 0.87 -1.42 -2.51 113.55 112.16 1bxm h SER 28 Ca 0.21 -0.29 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1bxm h SER 28 Cb 0.31 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1bxm h SER 28 CO -0.01 1.01 -0.34 0.74 -0.53 0.00 0.00 176.83 177.71 1bxm h THR 29 N 0.75 1.29 -0.04 2.23 2.02 -1.21 -0.64 112.91 117.30 1bxm h THR 29 Ca 0.11 -1.47 -0.11 0.00 0.77 0.00 0.00 66.41 65.71 1bxm h THR 29 Cb 0.69 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1bxm h THR 29 CO 0.05 0.47 -0.46 0.44 0.37 0.00 0.00 175.52 176.39 1bxm h ASP 30 N 0.54 0.10 0.00 4.18 3.32 -1.12 -3.36 116.42 120.07 1bxm h ASP 30 Ca 0.06 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1bxm h ASP 30 Cb 0.84 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1bxm h ASP 30 CO 0.07 0.55 -1.52 -1.54 -1.72 0.00 0.00 179.24 175.08 1bxm n SER 31 N -3.98 2.51 0.00 6.45 3.41 -0.96 -4.83 113.62 116.22 1bxm n SER 31 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1bxm n SER 31 Cb 0.50 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.87 1bxm n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bxm n GLY 32 N 1.93 0.62 3.57 5.00 0.00 -0.26 -4.82 105.19 111.24 1bxm n GLY 32 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1bxm n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bxm s TYR 33 N -2.29 3.22 -0.81 1.61 5.04 -1.24 -5.03 117.35 117.85 1bxm s TYR 33 Ca 0.00 0.10 -0.18 0.00 -2.44 0.00 0.00 57.07 54.55 1bxm s TYR 33 Cb 0.00 -2.52 0.14 0.00 0.35 0.00 0.00 41.96 39.93 1bxm s TYR 33 CO 0.00 -0.28 0.95 -1.12 -1.34 0.00 0.00 175.55 173.77 1bxm s SER 34 N 1.72 6.52 0.30 4.32 0.01 -1.26 -4.51 113.70 120.79 1bxm s SER 34 Ca 0.10 -1.95 0.03 0.00 1.31 0.00 0.00 55.95 55.45 1bxm s SER 34 Cb -0.16 -2.34 0.63 0.00 0.21 0.00 0.00 66.02 64.36 1bxm s SER 34 CO 0.11 -1.01 1.83 0.24 0.41 0.00 0.00 173.24 174.82 1bxm h MET 35 N 8.77 0.88 0.00 12.44 2.86 -1.95 0.37 114.93 138.28 1bxm h MET 35 Ca 0.01 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1bxm h MET 35 Cb 1.04 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1bxm h MET 35 CO 1.04 0.58 -0.55 -0.07 1.06 0.00 0.00 176.91 178.97 1bxm h LEU 36 N 0.90 0.00 -0.94 1.22 3.38 -1.98 -3.31 115.31 114.59 1bxm h LEU 36 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1bxm h LEU 36 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1bxm h LEU 36 CO -0.27 0.55 -0.07 0.35 0.09 0.00 0.00 178.44 179.09 1bxm n THR 37 N -3.54 0.00 -1.86 0.22 -2.24 -1.03 -3.51 114.28 102.33 1bxm n THR 37 Ca -0.00 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1bxm n THR 37 Cb 0.63 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 1bxm n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bxm s ALA 38 N -0.81 3.73 -2.19 6.98 0.00 0.13 -4.87 121.76 124.73 1bxm s ALA 38 Ca 0.06 1.32 0.25 0.00 0.00 0.00 0.00 51.96 53.59 1bxm s ALA 38 Cb 0.05 -3.70 0.54 0.00 0.00 0.00 0.00 23.12 20.01 1bxm s ALA 38 CO 0.12 -1.08 1.44 1.63 0.00 0.00 0.00 175.76 177.87 1bxm n LYS 39 N 5.29 1.35 -4.15 0.00 4.01 -1.26 -4.54 118.16 118.86 1bxm n LYS 39 Ca 0.16 -0.95 -0.11 0.00 -0.51 0.00 0.00 58.31 56.90 1bxm n LYS 39 Cb 0.39 -1.48 -0.10 0.00 -0.51 0.00 0.00 35.03 33.34 1bxm n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bxm s ALA 40 N -2.31 0.89 0.87 7.82 0.00 -1.26 -4.76 121.76 123.02 1bxm s ALA 40 Ca 0.26 -1.51 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 1bxm s ALA 40 Cb 0.19 1.15 0.11 0.00 0.00 0.00 0.00 23.12 24.58 1bxm s ALA 40 CO 0.46 -0.57 1.09 -0.51 0.00 0.00 0.00 175.76 176.23 1bxm s LEU 41 N -3.10 2.36 0.71 0.00 1.43 -1.26 -4.98 118.68 113.84 1bxm s LEU 41 Ca 0.31 1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1bxm s LEU 41 Cb 0.06 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1bxm s LEU 41 CO 0.07 -2.48 1.16 -2.84 0.23 0.00 0.00 176.35 172.50 1bxm s PRO 42 N -4.98 2.38 0.87 1.29 0.02 -1.26 -5.02 135.00 128.30 1bxm s PRO 42 Ca 0.63 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 63.12 1bxm s PRO 42 Cb -0.17 -1.88 0.15 0.00 0.02 0.00 0.00 34.50 32.62 1bxm s PRO 42 CO 0.56 -1.62 1.21 0.95 -0.33 0.00 0.00 177.00 177.78 1bxm s THR 43 N -2.16 2.05 0.17 0.99 -4.23 -1.26 -4.78 115.64 106.42 1bxm s THR 43 Ca 0.71 -0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 1bxm s THR 43 Cb -0.25 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.72 1bxm s THR 43 CO 0.44 0.00 1.76 0.74 -0.54 0.00 0.00 174.62 177.02 1bxm h THR 44 N -1.25 1.20 -0.86 3.99 2.02 -1.98 0.21 112.91 116.24 1bxm h THR 44 Ca -0.43 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1bxm h THR 44 Cb 1.26 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1bxm h THR 44 CO 0.46 0.22 0.47 0.00 0.37 0.00 0.00 175.52 177.03 1bxm h ALA 45 N 1.12 1.21 -0.25 6.16 0.00 -2.00 -1.56 119.26 123.93 1bxm h ALA 45 Ca 0.19 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1bxm h ALA 45 Cb 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1bxm h ALA 45 CO -0.03 0.64 -0.59 1.96 0.00 0.00 0.00 179.25 181.23 1bxm h GLN 46 N 1.20 0.80 -0.25 0.00 4.20 -1.70 -3.09 115.11 116.28 1bxm h GLN 46 Ca 0.30 -0.53 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1bxm h GLN 46 Cb 0.03 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1bxm h GLN 46 CO -0.05 1.16 -0.04 1.88 -0.67 0.00 0.00 178.83 181.11 1bxm h TYR 47 N 0.60 0.39 -0.68 2.96 0.05 -0.29 -0.71 116.97 119.28 1bxm h TYR 47 Ca 0.00 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1bxm h TYR 47 Cb 1.19 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 1bxm h TYR 47 CO 0.07 0.42 0.15 0.87 -1.05 0.00 0.00 178.16 178.62 1bxm h LYS 48 N 0.36 1.10 -0.16 4.88 1.57 -1.21 0.08 116.57 123.18 1bxm h LYS 48 Ca 0.08 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 1bxm h LYS 48 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1bxm h LYS 48 CO 0.01 0.98 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.32 1bxm h LEU 49 N 1.04 0.71 -0.48 2.94 3.38 -1.37 -3.00 115.31 118.52 1bxm h LEU 49 Ca 0.21 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1bxm h LEU 49 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1bxm h LEU 49 CO 0.01 1.17 0.19 0.24 0.09 0.00 0.00 178.44 180.14 1bxm h MET 50 N 0.28 0.72 -0.11 1.13 2.86 -0.99 -2.66 114.93 116.15 1bxm h MET 50 Ca -0.01 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1bxm h MET 50 Cb 1.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1bxm h MET 50 CO 0.10 0.65 -0.07 0.00 1.06 0.00 0.00 176.91 178.65 1bxm n ALA 52 N -2.50 2.97 -2.66 0.00 0.00 -1.11 -4.87 120.51 112.34 1bxm n ALA 52 Ca -0.01 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 1bxm n ALA 52 Cb 0.20 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1bxm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bxm s SER 53 N -2.57 6.69 0.28 0.00 0.15 -0.78 -4.96 113.70 112.52 1bxm s SER 53 Ca 0.24 0.84 -0.00 0.00 0.70 0.00 0.00 55.95 57.72 1bxm s SER 53 Cb 0.19 -2.35 0.41 0.00 -1.71 0.00 0.00 66.02 62.56 1bxm s SER 53 CO 0.52 -0.26 1.80 0.74 1.20 0.00 0.00 173.24 177.24 1bxm h THR 54 N 5.16 1.23 -0.36 6.45 2.02 -1.89 -2.40 112.91 123.12 1bxm h THR 54 Ca -0.32 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1bxm h THR 54 Cb 1.15 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1bxm h THR 54 CO 0.77 0.32 0.11 0.00 0.37 0.00 0.00 175.52 177.09 1bxm h ALA 55 N 1.33 0.47 -0.71 6.16 0.00 -1.92 -1.01 119.26 123.58 1bxm h ALA 55 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1bxm h ALA 55 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1bxm h ALA 55 CO 0.01 0.11 0.21 0.00 0.00 0.00 0.00 179.25 179.58 1bxm h ASN 57 N 1.05 0.55 -0.39 0.00 2.35 -1.30 -1.00 115.58 116.85 1bxm h ASN 57 Ca 0.23 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1bxm h ASN 57 Cb 0.31 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1bxm h ASN 57 CO -0.01 0.78 -0.11 0.74 -1.65 0.00 0.00 177.43 177.18 1bxm h THR 58 N 0.49 1.28 -0.18 2.81 2.02 -0.70 -2.29 112.91 116.34 1bxm h THR 58 Ca 0.07 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1bxm h THR 58 Cb 0.66 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1bxm h THR 58 CO 0.05 0.40 0.11 -0.03 0.37 0.00 0.00 175.52 176.42 1bxm h MET 59 N 0.57 0.25 -0.20 6.66 1.85 -0.77 -1.07 114.93 122.22 1bxm h MET 59 Ca 0.10 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.19 1bxm h MET 59 Cb 0.64 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 1bxm h MET 59 CO 0.04 0.22 0.01 0.82 -0.40 0.00 0.00 176.91 177.61 1bxm h ILE 60 N 0.21 0.88 -0.85 1.77 1.08 -1.15 0.12 117.51 119.58 1bxm h ILE 60 Ca 0.07 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.56 1bxm h ILE 60 Cb 0.04 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 1bxm h ILE 60 CO -0.01 0.02 0.53 0.50 -0.69 0.00 0.00 178.15 178.50 1bxm h LYS 61 N 0.08 0.97 -0.47 2.37 3.64 -1.25 -0.39 116.57 121.53 1bxm h LYS 61 Ca 0.09 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1bxm h LYS 61 Cb 0.10 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1bxm h LYS 61 CO -0.14 0.64 0.16 0.87 -2.27 0.00 0.00 179.45 178.71 1bxm h LYS 62 N 1.00 0.73 -0.79 1.90 1.57 -0.37 -2.42 116.57 118.18 1bxm h LYS 62 Ca 0.36 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1bxm h LYS 62 Cb 0.10 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1bxm h LYS 62 CO -0.15 0.68 0.38 0.82 -0.57 0.00 0.00 179.45 180.61 1bxm h ILE 63 N 0.63 1.25 -0.65 1.86 2.04 -0.10 -2.57 117.51 119.97 1bxm h ILE 63 Ca 0.15 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1bxm h ILE 63 Cb 0.25 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1bxm h ILE 63 CO -0.01 0.30 0.25 0.58 0.00 0.00 0.00 178.15 179.27 1bxm h VAL 64 N 1.13 1.23 0.00 1.67 2.07 -0.85 -1.83 116.25 119.67 1bxm h VAL 64 Ca 0.27 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1bxm h VAL 64 Cb 0.12 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1bxm h VAL 64 CO -0.03 0.29 -0.06 0.71 0.02 0.00 0.00 177.57 178.49 1bxm h THR 65 N 0.94 0.16 0.00 2.57 1.35 -1.05 -2.52 112.91 114.36 1bxm h THR 65 Ca 0.22 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1bxm h THR 65 Cb 0.19 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1bxm h THR 65 CO -0.02 0.06 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 1bxm n LEU 66 N -3.19 0.00 -3.59 3.87 4.77 -0.69 -4.94 117.00 113.23 1bxm n LEU 66 Ca 0.00 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 1bxm n LEU 66 Cb 0.34 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1bxm n LEU 66 CO 0.29 -0.01 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.11 1bxm n ASN 67 N -1.06 -5.70 -4.76 -1.43 5.15 -0.95 -4.94 115.26 101.57 1bxm n ASN 67 Ca 0.17 -0.84 -0.34 0.00 -0.60 0.00 0.00 54.58 52.97 1bxm n ASN 67 Cb 0.11 -3.37 0.05 0.00 -0.53 0.00 0.00 39.78 36.03 1bxm n ASN 67 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1bxm s PRO 68 N -5.23 2.79 0.49 1.20 0.02 -1.26 -4.97 135.00 128.04 1bxm s PRO 68 Ca 0.29 1.62 -0.23 0.00 0.02 0.00 0.00 61.00 62.71 1bxm s PRO 68 Cb -0.11 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 1bxm s PRO 68 CO 0.85 -1.30 1.23 -1.25 -0.33 0.00 0.00 177.00 176.20 1bxm s PRO 69 N -3.71 3.56 -1.27 5.54 0.04 -1.26 -4.58 135.00 133.31 1bxm s PRO 69 Ca 0.72 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.57 1bxm s PRO 69 Cb -0.26 -2.36 0.15 0.00 0.04 0.00 0.00 34.50 32.07 1bxm s PRO 69 CO 0.37 -0.75 1.75 -1.71 0.04 0.00 0.00 177.00 176.70 1bxm n ASN 70 N -0.65 5.03 -3.54 6.66 5.15 -1.26 -3.86 115.26 122.79 1bxm n ASN 70 Ca 0.08 -3.03 -0.08 0.00 -0.60 0.00 0.00 54.58 50.95 1bxm n ASN 70 Cb 0.47 -1.54 -0.02 0.00 -0.53 0.00 0.00 39.78 38.16 1bxm n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bxm s ASP 72 N -2.63 6.68 0.05 0.00 1.01 0.35 -4.27 116.67 117.85 1bxm s ASP 72 Ca 0.05 1.76 0.06 0.00 0.71 0.00 0.00 52.55 55.13 1bxm s ASP 72 Cb -0.01 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1bxm s ASP 72 CO -0.07 -0.98 -0.12 -0.22 0.21 0.00 0.00 175.17 173.98 1bxm s LEU 73 N 4.23 2.93 -0.15 1.23 0.20 0.14 -1.53 118.68 125.71 1bxm s LEU 73 Ca 0.65 -0.32 -0.15 0.00 0.69 0.00 0.00 54.13 55.00 1bxm s LEU 73 Cb -0.25 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 1bxm s LEU 73 CO 0.24 0.24 0.33 -0.89 -0.29 0.00 0.00 176.35 175.98 1bxm s THR 74 N -1.03 5.28 -0.48 3.68 2.01 -1.26 -1.55 115.64 122.28 1bxm s THR 74 Ca 0.17 0.64 -0.28 0.00 0.31 0.00 0.00 61.69 62.53 1bxm s THR 74 Cb -0.11 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1bxm s THR 74 CO 0.08 0.37 1.07 -0.69 -0.69 0.00 0.00 174.62 174.77 1bxm s VAL 75 N 0.53 4.28 0.51 3.82 1.01 0.31 -4.92 120.40 125.94 1bxm s VAL 75 Ca 0.18 1.04 0.24 0.00 0.00 0.00 0.00 61.98 63.44 1bxm s VAL 75 Cb -0.13 -4.56 0.39 0.00 0.00 0.00 0.00 36.38 32.08 1bxm s VAL 75 CO 0.05 -0.98 1.98 1.55 0.00 0.00 0.00 175.10 177.70 1bxm h PRO 76 N 9.21 0.08 0.00 2.72 0.13 -1.95 0.43 132.00 142.61 1bxm h PRO 76 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1bxm h PRO 76 Cb 1.06 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1bxm h PRO 76 CO 1.10 0.05 -0.25 1.79 -0.23 0.00 0.00 178.00 180.46 1bxm h THR 77 N 0.08 0.00 0.00 1.56 1.35 -1.91 -3.40 112.91 110.59 1bxm h THR 77 Ca 0.28 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1bxm h THR 77 Cb 1.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1bxm h THR 77 CO -0.02 0.00 -0.53 -1.54 -0.25 0.00 0.00 175.52 173.18 1bxm n SER 78 N -2.28 2.47 0.00 5.36 3.41 -0.93 -4.74 113.62 116.91 1bxm n SER 78 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1bxm n SER 78 Cb 0.44 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1bxm n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bxm n GLY 79 N 2.09 0.24 3.77 5.00 0.00 0.15 -4.86 105.19 111.58 1bxm n GLY 79 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bxm n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bxm s LEU 80 N 0.00 4.35 -0.13 0.99 2.96 -1.25 -4.67 118.68 120.92 1bxm s LEU 80 Ca 0.00 2.95 0.02 0.00 -0.22 0.00 0.00 54.13 56.88 1bxm s LEU 80 Cb 0.00 -3.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.03 1bxm s LEU 80 CO 0.00 -0.81 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.34 1bxm s VAL 81 N -0.89 2.45 0.09 1.68 1.01 -1.26 -0.53 120.40 122.95 1bxm s VAL 81 Ca 0.54 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 1bxm s VAL 81 Cb -0.45 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.01 1bxm s VAL 81 CO 0.58 0.54 0.74 -1.48 0.00 0.00 0.00 175.10 175.48 1bxm s LEU 82 N 0.57 -0.46 -0.67 3.92 2.34 -0.60 -4.93 118.68 118.86 1bxm s LEU 82 Ca -0.11 -0.03 -0.19 0.00 0.06 0.00 0.00 54.13 53.86 1bxm s LEU 82 Cb -0.16 2.34 0.11 0.00 -0.56 0.00 0.00 46.19 47.92 1bxm s LEU 82 CO 0.04 -0.83 0.81 0.21 -1.06 0.00 0.00 176.35 175.52 1bxm s ASN 83 N -2.64 6.29 0.24 1.48 3.84 -1.26 -0.69 114.94 122.20 1bxm s ASN 83 Ca 0.03 -1.56 -0.05 0.00 0.21 0.00 0.00 52.86 51.49 1bxm s ASN 83 Cb -0.01 -2.33 0.36 0.00 -0.55 0.00 0.00 41.25 38.72 1bxm s ASN 83 CO -0.10 -1.11 1.81 0.58 -2.79 0.00 0.00 177.10 175.49 1bxm h VAL 84 N 5.82 0.92 0.55 -5.21 2.07 -1.80 -1.68 116.25 116.92 1bxm h VAL 84 Ca -0.19 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1bxm h VAL 84 Cb 1.07 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1bxm h VAL 84 CO 1.09 0.14 -0.44 0.22 0.02 0.00 0.00 177.57 178.59 1bxm h TYR 85 N 0.77 -1.21 -0.77 1.57 3.20 -1.81 -0.41 116.97 118.32 1bxm h TYR 85 Ca 0.37 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.20 1bxm h TYR 85 Cb 0.31 0.45 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 1bxm h TYR 85 CO -0.07 -0.63 0.30 0.66 -1.64 0.00 0.00 178.16 176.78 1bxm h SER 86 N -0.97 1.06 -0.40 -2.11 4.64 -1.83 -1.62 113.55 112.32 1bxm h SER 86 Ca -0.06 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 1bxm h SER 86 Cb 0.83 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1bxm h SER 86 CO -0.00 0.95 -0.28 1.88 -0.87 0.00 0.00 176.83 178.50 1bxm h TYR 87 N 1.12 1.05 -0.37 4.77 0.05 -1.25 -0.15 116.97 122.19 1bxm h TYR 87 Ca 0.26 -0.29 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 1bxm h TYR 87 Cb 0.22 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1bxm h TYR 87 CO 0.02 1.09 -0.13 0.00 -1.05 0.00 0.00 178.16 178.09 1bxm h ALA 88 N 0.79 0.52 0.00 3.88 0.00 -0.99 -2.02 119.26 121.43 1bxm h ALA 88 Ca 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1bxm h ALA 88 Cb 0.86 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1bxm h ALA 88 CO 0.08 0.42 -0.08 -0.91 0.00 0.00 0.00 179.25 178.75 1bxm h ASN 89 N 0.55 0.00 -0.07 0.00 2.35 -1.27 -3.05 115.58 114.08 1bxm h ASN 89 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1bxm h ASN 89 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1bxm h ASN 89 CO 0.05 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1bxm n GLY 90 N 0.11 0.81 0.17 2.83 0.00 -0.07 -4.49 105.19 104.55 1bxm n GLY 90 Ca 0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 1bxm n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1bxm h PHE 91 N 4.01 0.38 -0.80 1.61 3.57 -1.26 -1.36 116.94 123.10 1bxm h PHE 91 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1bxm h PHE 91 Cb 0.86 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1bxm h PHE 91 CO 0.03 0.20 0.50 0.66 -2.23 0.00 0.00 178.31 177.47 1bxm h SER 92 N 0.42 0.80 -0.30 0.41 4.64 -1.81 0.36 113.55 118.06 1bxm h SER 92 Ca 0.17 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1bxm h SER 92 Cb 0.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1bxm h SER 92 CO -0.12 0.53 -0.23 0.78 -0.87 0.00 0.00 176.83 176.92 1bxm h ASN 93 N 0.94 0.80 0.06 4.97 -0.26 -1.78 -1.88 115.58 118.42 1bxm h ASN 93 Ca 0.34 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1bxm h ASN 93 Cb 0.10 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1bxm h ASN 93 CO -0.14 1.00 -0.06 0.50 -1.06 0.00 0.00 177.43 177.67 1bxm h LYS 94 N 0.68 -0.12 0.00 0.81 1.63 -0.27 -2.02 116.57 117.28 1bxm h LYS 94 Ca 0.09 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1bxm h LYS 94 Cb 0.75 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1bxm h LYS 94 CO 0.06 -0.08 -0.18 0.00 -3.45 0.00 0.00 179.45 175.80 1bxm h SER 96 N 0.00 0.00 -0.35 0.00 0.02 -1.04 -3.10 113.55 109.08 1bxm h SER 96 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bxm h SER 96 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1bxm h SER 96 CO 0.02 0.02 0.00 -1.54 -1.14 0.00 0.00 176.83 174.20 1bxm n SER 97 N -3.11 2.00 -0.43 3.07 3.41 -0.79 -5.09 113.62 112.68 1bxm n SER 97 Ca 0.03 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.73 1bxm n SER 97 Cb 0.49 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1bxm n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06