#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bin s ALA 2 N 0.00 3.62 -0.14 3.52 0.00 -1.26 -4.44 121.76 123.06 1bin s ALA 2 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 1bin s ALA 2 Cb 0.00 -3.67 0.07 0.00 0.00 0.00 0.00 23.12 19.52 1bin s ALA 2 CO 0.00 -1.13 0.26 0.12 0.00 0.00 0.00 175.76 175.02 1bin s PHE 3 N 3.03 -0.42 0.66 0.00 5.36 -1.26 -5.06 117.98 120.28 1bin s PHE 3 Ca 0.69 0.88 -0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1bin s PHE 3 Cb -0.33 -0.07 0.09 0.00 -0.34 0.00 0.00 43.02 42.36 1bin s PHE 3 CO 0.28 -0.39 0.91 0.95 -1.46 0.00 0.00 175.22 175.51 1bin s THR 4 N 2.41 2.34 0.15 0.12 -4.23 -1.26 -4.16 115.64 111.01 1bin s THR 4 Ca 0.02 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 59.77 1bin s THR 4 Cb -0.13 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.98 1bin s THR 4 CO -0.09 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 175.66 1bin h GLU 5 N -0.31 0.26 0.33 3.99 4.81 -1.99 -1.59 114.58 120.09 1bin h GLU 5 Ca -0.39 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1bin h GLU 5 Cb 1.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1bin h GLU 5 CO 0.46 0.17 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.46 1bin h LYS 6 N 0.27 -0.54 -0.62 1.92 1.63 -1.99 -0.93 116.57 116.31 1bin h LYS 6 Ca 0.15 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.11 1bin h LYS 6 Cb 0.11 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1bin h LYS 6 CO -0.14 -0.36 0.42 1.96 -3.45 0.00 0.00 179.45 177.88 1bin h GLN 7 N -0.56 0.27 -0.16 1.90 4.20 -1.86 0.11 115.11 119.00 1bin h GLN 7 Ca -0.03 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1bin h GLN 7 Cb 0.49 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1bin h GLN 7 CO 0.01 0.18 -0.54 0.22 -0.67 0.00 0.00 178.83 178.02 1bin h ASP 8 N 0.28 0.54 0.17 1.46 3.58 -0.74 -2.90 116.42 118.80 1bin h ASP 8 Ca 0.30 -0.29 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1bin h ASP 8 Cb 0.78 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1bin h ASP 8 CO -0.07 0.98 -0.41 0.00 -2.88 0.00 0.00 179.24 176.86 1bin h ALA 9 N 1.03 1.05 -0.30 -0.78 0.00 0.54 -1.25 119.26 119.56 1bin h ALA 9 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1bin h ALA 9 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bin h ALA 9 CO 0.10 0.60 0.02 -0.07 0.00 0.00 0.00 179.25 179.90 1bin h LEU 10 N 0.26 0.50 -0.27 0.00 3.38 -1.02 -2.47 115.31 115.70 1bin h LEU 10 Ca 0.02 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1bin h LEU 10 Cb 0.84 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1bin h LEU 10 CO 0.07 0.66 -0.49 1.62 0.09 0.00 0.00 178.44 180.39 1bin h VAL 11 N 0.32 1.29 -0.97 1.22 3.04 -1.32 -2.08 116.25 117.74 1bin h VAL 11 Ca 0.09 -1.68 0.04 0.00 -1.01 0.00 0.00 66.70 64.14 1bin h VAL 11 Cb 0.39 1.69 -0.06 0.00 -2.01 0.00 0.00 31.29 31.30 1bin h VAL 11 CO 0.01 0.54 0.64 0.77 -1.01 0.00 0.00 177.57 178.52 1bin h SER 12 N 0.56 1.05 0.20 3.17 4.64 -1.26 -2.15 113.55 119.77 1bin h SER 12 Ca 0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1bin h SER 12 Cb 1.09 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1bin h SER 12 CO 0.11 0.71 -0.10 -1.28 -0.87 0.00 0.00 176.83 175.40 1bin h SER 13 N 1.21 -0.23 0.54 4.97 0.87 -1.40 -2.68 113.55 116.82 1bin h SER 13 Ca 0.39 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1bin h SER 13 Cb 0.03 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1bin h SER 13 CO -0.13 0.11 -0.02 0.77 -0.53 0.00 0.00 176.83 177.03 1bin h SER 14 N -0.60 0.00 -0.15 6.23 4.64 -1.32 -1.73 113.55 120.62 1bin h SER 14 Ca -0.03 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.10 1bin h SER 14 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bin h SER 14 CO 0.05 0.02 -0.61 0.15 -0.87 0.00 0.00 176.83 175.57 1bin h PHE 15 N 0.00 0.98 -0.57 4.77 3.57 -1.28 -1.05 116.94 123.37 1bin h PHE 15 Ca -0.00 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 1bin h PHE 15 Cb 0.30 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1bin h PHE 15 CO 0.00 1.18 0.22 0.93 -2.23 0.00 0.00 178.31 178.41 1bin h GLU 16 N 0.57 0.82 -0.02 1.11 4.39 -0.98 0.22 114.58 120.69 1bin h GLU 16 Ca -0.00 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.45 1bin h GLU 16 Cb 1.21 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1bin h GLU 16 CO 0.13 0.67 -0.57 0.00 -1.16 0.00 0.00 179.01 178.08 1bin h ALA 17 N 1.44 1.00 -0.28 3.43 0.00 -1.18 -2.71 119.26 120.97 1bin h ALA 17 Ca 0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1bin h ALA 17 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bin h ALA 17 CO -0.02 0.71 -0.17 0.35 0.00 0.00 0.00 179.25 180.13 1bin h PHE 18 N 0.06 0.70 0.00 0.00 3.57 0.21 -3.04 116.94 118.44 1bin h PHE 18 Ca -0.00 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1bin h PHE 18 Cb 1.03 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1bin h PHE 18 CO 0.01 0.86 0.00 0.87 -2.23 0.00 0.00 178.31 177.82 1bin h LYS 19 N 0.34 0.00 -0.61 1.11 1.57 -0.34 -2.78 116.57 115.86 1bin h LYS 19 Ca 0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1bin h LYS 19 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1bin h LYS 19 CO 0.05 0.00 0.18 0.00 -0.57 0.00 0.00 179.45 179.10 1bin h ALA 20 N 2.00 0.80 -2.40 3.86 0.00 -1.37 -3.38 119.26 118.77 1bin h ALA 20 Ca 0.00 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.11 1bin h ALA 20 Cb 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 17.79 17.18 1bin h ALA 20 CO 0.00 0.48 -0.96 -1.71 0.00 0.00 0.00 179.25 177.07 1bin n ASN 21 N -4.37 -0.27 -0.13 0.00 2.85 -1.05 -5.00 115.26 107.28 1bin n ASN 21 Ca 0.03 -2.43 -0.08 0.00 -0.11 0.00 0.00 54.58 51.99 1bin n ASN 21 Cb 0.22 -0.56 -0.00 0.00 1.24 0.00 0.00 39.78 40.68 1bin n ASN 21 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1bin h ILE 22 N 4.58 1.16 -0.77 -1.44 3.07 -1.75 -1.81 117.51 120.55 1bin h ILE 22 Ca 0.26 -0.41 -0.03 0.00 1.55 0.00 0.00 64.86 66.23 1bin h ILE 22 Cb 0.90 0.69 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 1bin h ILE 22 CO 0.39 0.16 0.37 1.55 -1.05 0.00 0.00 178.15 179.57 1bin h PRO 23 N 0.52 1.10 -0.08 0.16 0.13 -1.94 0.34 132.00 132.24 1bin h PRO 23 Ca 0.14 -0.16 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 1bin h PRO 23 Cb 0.07 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1bin h PRO 23 CO -0.02 0.86 -0.28 0.37 -0.23 0.00 0.00 178.00 178.70 1bin h GLN 24 N 1.08 0.34 0.00 0.86 4.15 -1.92 -3.17 115.11 116.44 1bin h GLN 24 Ca 0.26 -0.25 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1bin h GLN 24 Cb 0.12 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1bin h GLN 24 CO -0.03 0.87 -0.46 1.88 -1.93 0.00 0.00 178.83 179.17 1bin h TYR 25 N -0.14 0.00 0.00 3.99 0.05 -1.31 -2.88 116.97 116.68 1bin h TYR 25 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1bin h TYR 25 Cb 0.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1bin h TYR 25 CO 0.12 0.46 0.00 -1.13 -1.05 0.00 0.00 178.16 176.56 1bin n SER 26 N -3.67 0.00 0.04 3.88 3.41 0.10 -2.52 113.62 114.86 1bin n SER 26 Ca -0.01 0.12 -0.22 0.00 -0.26 0.00 0.00 58.87 58.50 1bin n SER 26 Cb 0.53 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 1bin n SER 26 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1bin h VAL 27 N 0.00 1.02 -0.37 -3.33 2.07 -1.48 -3.02 116.25 111.14 1bin h VAL 27 Ca 0.00 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 1bin h VAL 27 Cb 0.30 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1bin h VAL 27 CO 0.00 0.77 0.15 0.58 0.02 0.00 0.00 177.57 179.09 1bin h VAL 28 N -0.13 1.19 0.59 2.57 2.07 -1.49 -1.78 116.25 119.27 1bin h VAL 28 Ca -0.31 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1bin h VAL 28 Cb 1.90 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1bin h VAL 28 CO 0.12 0.21 -0.50 0.15 0.02 0.00 0.00 177.57 177.57 1bin h PHE 29 N 0.45 -1.36 -0.60 1.57 3.57 -1.61 -2.41 116.94 116.55 1bin h PHE 29 Ca 0.12 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1bin h PHE 29 Cb 0.18 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1bin h PHE 29 CO -0.00 -0.69 0.24 1.88 -2.23 0.00 0.00 178.31 177.51 1bin h TYR 30 N -1.06 0.92 -0.65 0.41 0.05 -1.57 -2.43 116.97 112.64 1bin h TYR 30 Ca -0.08 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.67 1bin h TYR 30 Cb 0.89 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 1bin h TYR 30 CO -0.20 0.73 0.39 1.15 -1.05 0.00 0.00 178.16 179.18 1bin h THR 31 N 0.84 1.05 -0.25 -2.88 2.02 -1.34 -0.67 112.91 111.67 1bin h THR 31 Ca 0.20 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1bin h THR 31 Cb 0.21 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1bin h THR 31 CO -0.02 0.14 0.12 -1.28 0.37 0.00 0.00 175.52 174.86 1bin h SER 32 N 0.76 0.18 -0.09 4.18 0.87 -1.23 -0.16 113.55 118.05 1bin h SER 32 Ca 0.27 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1bin h SER 32 Cb 0.06 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1bin h SER 32 CO -0.12 0.14 0.05 0.40 -0.53 0.00 0.00 176.83 176.76 1bin h ILE 33 N 0.26 1.10 0.00 2.23 2.04 -1.24 -2.39 117.51 119.52 1bin h ILE 33 Ca 0.10 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1bin h ILE 33 Cb 0.03 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1bin h ILE 33 CO -0.07 0.09 -0.21 -0.07 0.00 0.00 0.00 178.15 177.88 1bin h LEU 34 N 0.04 0.00 -0.58 1.44 3.38 -0.90 0.31 115.31 119.00 1bin h LEU 34 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1bin h LEU 34 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1bin h LEU 34 CO -0.00 0.21 -0.06 -0.08 0.09 0.00 0.00 178.44 178.60 1bin h GLU 35 N 0.00 1.07 -0.02 1.13 4.81 -0.63 -3.32 114.58 117.62 1bin h GLU 35 Ca -0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1bin h GLU 35 Cb 0.41 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1bin h GLU 35 CO 0.03 1.07 0.00 1.63 -0.73 0.00 0.00 179.01 181.01 1bin n LYS 36 N -4.16 0.44 -3.78 1.92 5.02 -0.93 -4.88 118.16 111.79 1bin n LYS 36 Ca 0.02 -1.11 -0.30 0.00 -2.02 0.00 0.00 58.31 54.90 1bin n LYS 36 Cb 0.38 -1.19 -0.15 0.00 -0.02 0.00 0.00 35.03 34.05 1bin n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bin s ALA 37 N -0.83 1.73 0.20 7.82 0.00 0.06 -5.03 121.76 125.72 1bin s ALA 37 Ca 0.12 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.15 1bin s ALA 37 Cb 0.08 -1.67 0.24 0.00 0.00 0.00 0.00 23.12 21.77 1bin s ALA 37 CO 0.12 -1.67 1.65 -1.35 0.00 0.00 0.00 175.76 174.51 1bin h PRO 38 N 8.02 0.04 0.00 0.00 0.11 -1.85 -2.36 132.00 135.96 1bin h PRO 38 Ca -0.12 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1bin h PRO 38 Cb 1.02 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1bin h PRO 38 CO 0.48 0.03 -0.01 0.00 -0.21 0.00 0.00 178.00 178.29 1bin h ALA 39 N 1.56 1.01 -0.68 -0.75 0.00 -1.96 -3.38 119.26 115.07 1bin h ALA 39 Ca 0.29 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.32 1bin h ALA 39 Cb 0.46 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 1bin h ALA 39 CO -0.56 0.01 -0.25 0.00 0.00 0.00 0.00 179.25 178.45 1bin h ALA 40 N 1.99 0.26 -0.70 0.00 0.00 -1.77 -2.08 119.26 116.95 1bin h ALA 40 Ca -0.00 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1bin h ALA 40 Cb 0.43 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1bin h ALA 40 CO 0.00 -0.53 0.46 -0.22 0.00 0.00 0.00 179.25 178.97 1bin h LYS 41 N -0.07 0.66 0.00 0.00 1.63 -1.79 -2.67 116.57 114.34 1bin h LYS 41 Ca 0.30 -0.04 -0.23 0.00 -0.85 0.00 0.00 60.65 59.83 1bin h LYS 41 Cb 0.54 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 1bin h LYS 41 CO -0.73 0.44 -1.23 -0.44 -3.45 0.00 0.00 179.45 174.04 1bin h ASP 42 N 0.68 0.00 -0.31 4.20 3.32 -1.73 -3.38 116.42 119.20 1bin h ASP 42 Ca 0.31 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 1bin h ASP 42 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1bin h ASP 42 CO -0.10 0.94 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.96 1bin h LEU 43 N 0.00 0.82 -9.46 1.55 3.38 -1.05 -3.44 115.31 107.11 1bin h LEU 43 Ca -0.11 -0.48 -0.56 0.00 0.09 0.00 0.00 57.88 56.82 1bin h LEU 43 Cb 1.82 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 1bin h LEU 43 CO 0.10 1.13 0.06 -0.36 0.09 0.00 0.00 178.44 179.47 1bin s PHE 44 N -4.34 3.65 0.20 1.13 0.40 -1.10 -4.97 117.98 112.95 1bin s PHE 44 Ca -0.12 1.28 -0.11 0.00 -0.60 0.00 0.00 56.93 57.38 1bin s PHE 44 Cb 0.09 -2.74 0.14 0.00 0.51 0.00 0.00 43.02 41.03 1bin s PHE 44 CO 0.85 0.22 1.86 0.66 0.70 0.00 0.00 175.22 179.51 1bin h SER 45 N 6.13 0.85 0.87 1.36 4.64 -1.90 -2.57 113.55 122.93 1bin h SER 45 Ca -0.43 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1bin h SER 45 Cb 1.20 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1bin h SER 45 CO 0.72 0.64 -0.10 2.22 -0.87 0.00 0.00 176.83 179.45 1bin n PHE 46 N -4.55 0.00 1.31 4.77 -1.74 -1.26 -3.28 117.46 112.70 1bin n PHE 46 Ca 0.07 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.03 1bin n PHE 46 Cb 0.04 -0.43 0.30 0.00 1.52 0.00 0.00 39.48 40.90 1bin n PHE 46 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1bin n LEU 47 N -1.47 1.33 0.02 5.98 4.77 -0.97 -4.36 117.00 122.30 1bin n LEU 47 Ca 0.07 -0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 1bin n LEU 47 Cb 0.33 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1bin n LEU 47 CO 0.28 0.30 0.50 0.00 -1.33 0.00 0.00 177.39 177.15 1bin h ALA 48 N 3.76 -0.68 -0.69 -1.18 0.00 -1.64 -2.65 119.26 116.19 1bin h ALA 48 Ca 0.00 -0.03 -0.45 0.00 0.00 0.00 0.00 54.91 54.42 1bin h ALA 48 Cb 0.36 0.70 -0.20 0.00 0.00 0.00 0.00 17.79 18.65 1bin h ALA 48 CO 0.00 -0.75 0.59 0.09 0.00 0.00 0.00 179.25 179.18 1bin n ASN 49 N -3.72 6.60 0.00 0.00 4.13 -1.26 -5.03 115.26 115.98 1bin n ASN 49 Ca -0.03 -3.33 0.00 0.00 1.68 0.00 0.00 54.58 52.90 1bin n ASN 49 Cb 0.16 -1.00 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 1bin n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bin n GLY 50 N -0.21 -2.06 3.62 7.41 0.00 -1.00 -4.76 105.19 108.19 1bin n GLY 50 Ca 0.43 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1bin n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bin s VAL 51 N -0.00 4.76 -0.26 1.61 1.01 -1.26 -4.58 120.40 121.67 1bin s VAL 51 Ca 0.00 1.30 -0.00 0.00 0.00 0.00 0.00 61.98 63.28 1bin s VAL 51 Cb 0.00 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.27 1bin s VAL 51 CO 0.00 -0.26 0.03 -0.62 0.00 0.00 0.00 175.10 174.24 1bin s ASP 52 N 1.59 3.77 0.63 3.32 2.15 -1.26 -5.01 116.67 121.85 1bin s ASP 52 Ca 0.34 -1.33 0.41 0.00 0.43 0.00 0.00 52.55 52.41 1bin s ASP 52 Cb -0.14 -0.98 2.09 0.00 -0.30 0.00 0.00 42.92 43.59 1bin s ASP 52 CO 0.12 -0.32 2.25 1.55 -0.17 0.00 0.00 175.17 178.60 1bin h PRO 53 N 8.03 0.00 0.00 4.34 0.13 -1.95 -2.74 132.00 139.82 1bin h PRO 53 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1bin h PRO 53 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1bin h PRO 53 CO 0.42 0.00 -0.25 0.25 -0.23 0.00 0.00 178.00 178.19 1bin n THR 54 N -3.12 0.19 -2.49 1.56 -2.24 -1.26 -4.74 114.28 102.18 1bin n THR 54 Ca -0.02 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 1bin n THR 54 Cb 0.15 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1bin n THR 54 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bin s ASN 55 N -3.54 6.49 0.41 3.42 3.84 -1.03 -4.88 114.94 119.65 1bin s ASN 55 Ca 0.11 0.62 0.29 0.00 0.21 0.00 0.00 52.86 54.09 1bin s ASN 55 Cb 0.16 -2.55 1.40 0.00 -0.55 0.00 0.00 41.25 39.72 1bin s ASN 55 CO 0.63 -1.34 1.87 1.55 -2.79 0.00 0.00 177.10 177.02 1bin h PRO 56 N 9.92 0.00 -0.20 0.43 0.13 -1.89 -2.32 132.00 138.07 1bin h PRO 56 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1bin h PRO 56 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1bin h PRO 56 CO 1.11 0.00 -0.12 0.87 -0.23 0.00 0.00 178.00 179.63 1bin h LYS 57 N 0.00 0.44 0.45 0.86 1.57 -1.95 0.23 116.57 118.16 1bin h LYS 57 Ca 0.00 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1bin h LYS 57 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bin h LYS 57 CO 0.00 0.74 -0.22 1.25 -0.57 0.00 0.00 179.45 180.65 1bin h LEU 58 N 0.13 -0.51 -1.15 2.94 6.46 -1.76 -1.44 115.31 119.97 1bin h LEU 58 Ca 0.04 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1bin h LEU 58 Cb 0.62 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1bin h LEU 58 CO 0.03 -0.26 0.29 0.71 -0.62 0.00 0.00 178.44 178.60 1bin h THR 59 N -0.76 1.21 -0.29 1.05 1.35 -1.50 -2.54 112.91 111.44 1bin h THR 59 Ca -0.06 -0.59 -0.12 0.00 -0.55 0.00 0.00 66.41 65.09 1bin h THR 59 Cb 0.54 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1bin h THR 59 CO 0.10 0.24 -0.33 1.23 -0.25 0.00 0.00 175.52 176.52 1bin h GLY 60 N 0.97 0.67 1.06 5.82 0.00 -0.50 -2.07 103.07 109.03 1bin h GLY 60 Ca 0.22 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1bin h GLY 60 CO -0.03 0.56 0.03 0.84 0.00 0.00 0.00 176.54 177.94 1bin h HIS 61 N 0.53 1.13 -0.19 5.60 6.17 -0.93 -0.64 115.15 126.81 1bin h HIS 61 Ca 0.06 -0.19 -0.08 0.00 0.71 0.00 0.00 60.37 60.87 1bin h HIS 61 Cb 0.82 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 1bin h HIS 61 CO 0.03 0.99 -0.24 0.00 0.71 0.00 0.00 177.93 179.43 1bin h ALA 62 N 0.99 1.25 -0.20 5.26 0.00 -1.33 0.26 119.26 125.49 1bin h ALA 62 Ca 0.17 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1bin h ALA 62 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bin h ALA 62 CO 0.03 0.50 -0.29 1.49 0.00 0.00 0.00 179.25 180.97 1bin h GLU 63 N 0.31 0.56 -0.25 0.00 4.81 -1.07 -2.20 114.58 116.73 1bin h GLU 63 Ca 0.05 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1bin h GLU 63 Cb 0.59 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1bin h GLU 63 CO 0.04 0.93 0.13 -0.22 -0.73 0.00 0.00 179.01 179.15 1bin h LYS 64 N 0.23 0.26 -0.10 1.92 3.64 -0.60 -2.35 116.57 119.57 1bin h LYS 64 Ca 0.02 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1bin h LYS 64 Cb 0.86 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1bin h LYS 64 CO 0.07 0.17 -0.06 1.25 -2.27 0.00 0.00 179.45 178.61 1bin h LEU 65 N 0.27 -0.19 -1.16 5.20 6.46 -0.90 -2.46 115.31 122.52 1bin h LEU 65 Ca 0.10 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 1bin h LEU 65 Cb 0.02 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1bin h LEU 65 CO -0.07 -0.08 -0.33 -0.26 -0.62 0.00 0.00 178.44 177.08 1bin h PHE 66 N -0.06 0.17 -0.21 1.25 -1.00 -1.33 -2.64 116.94 113.12 1bin h PHE 66 Ca 0.06 -0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 1bin h PHE 66 Cb 0.14 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1bin h PHE 66 CO -0.17 0.47 -0.28 0.00 -1.61 0.00 0.00 178.31 176.71 1bin h ALA 67 N 1.53 1.12 -0.25 2.45 0.00 -1.25 -0.86 119.26 122.01 1bin h ALA 67 Ca 0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 1bin h ALA 67 Cb 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bin h ALA 67 CO 0.05 0.55 -0.56 1.25 0.00 0.00 0.00 179.25 180.54 1bin h LEU 68 N 0.36 0.86 -0.46 0.00 5.85 -1.27 0.25 115.31 120.90 1bin h LEU 68 Ca 0.05 -0.47 -0.17 0.00 0.84 0.00 0.00 57.88 58.13 1bin h LEU 68 Cb 0.69 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1bin h LEU 68 CO 0.05 1.24 -0.66 0.58 -0.34 0.00 0.00 178.44 179.31 1bin h VAL 69 N 0.59 1.36 -0.45 1.05 2.07 -1.29 0.15 116.25 119.72 1bin h VAL 69 Ca 0.01 -2.01 -0.14 0.00 0.82 0.00 0.00 66.70 65.38 1bin h VAL 69 Cb 1.15 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1bin h VAL 69 CO 0.12 0.61 -0.27 -0.09 0.02 0.00 0.00 177.57 177.96 1bin h ARG 70 N 0.32 0.98 -0.23 1.57 1.12 -1.12 -2.41 114.38 114.61 1bin h ARG 70 Ca -0.02 -0.45 -0.03 0.00 -1.11 0.00 0.00 59.98 58.38 1bin h ARG 70 Cb 1.22 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 1bin h ARG 70 CO 0.12 1.12 0.03 0.22 -3.11 0.00 0.00 179.97 178.34 1bin h ASP 71 N 0.83 0.30 -0.77 -3.80 3.58 0.00 -2.21 116.42 114.36 1bin h ASP 71 Ca 0.10 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 1bin h ASP 71 Cb 0.86 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 1bin h ASP 71 CO 0.08 0.34 0.34 -1.28 -2.88 0.00 0.00 179.24 175.84 1bin h SER 72 N 0.33 1.05 -0.08 2.28 0.87 -0.22 -2.06 113.55 115.71 1bin h SER 72 Ca 0.08 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1bin h SER 72 Cb 0.18 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1bin h SER 72 CO 0.00 0.91 0.05 0.00 -0.53 0.00 0.00 176.83 177.26 1bin h ALA 73 N 1.25 0.11 -0.69 6.23 0.00 -1.16 -1.51 119.26 123.49 1bin h ALA 73 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1bin h ALA 73 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1bin h ALA 73 CO -0.03 -0.39 0.41 0.78 0.00 0.00 0.00 179.25 180.02 1bin h GLY 74 N 0.10 1.00 1.12 0.00 0.00 -1.24 -0.32 103.07 103.73 1bin h GLY 74 Ca 0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1bin h GLY 74 CO -0.01 0.40 -0.27 1.46 0.00 0.00 0.00 176.54 178.12 1bin h GLN 75 N 0.95 0.99 -0.36 4.80 4.20 -1.09 -2.24 115.11 122.35 1bin h GLN 75 Ca 0.25 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 1bin h GLN 75 Cb -0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1bin h GLN 75 CO -0.05 1.13 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.11 1bin h LEU 76 N 0.84 0.68 -0.82 1.46 3.38 -0.83 0.73 115.31 120.75 1bin h LEU 76 Ca 0.09 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1bin h LEU 76 Cb 0.86 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1bin h LEU 76 CO 0.08 0.87 0.49 0.50 0.09 0.00 0.00 178.44 180.46 1bin h LYS 77 N 0.48 1.12 -0.03 1.13 3.64 -1.11 0.38 116.57 122.18 1bin h LYS 77 Ca 0.10 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1bin h LYS 77 Cb 0.56 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1bin h LYS 77 CO 0.03 0.79 -0.17 0.00 -2.27 0.00 0.00 179.45 177.84 1bin h ALA 78 N 1.26 0.06 0.00 5.00 0.00 -1.31 -3.42 119.26 120.84 1bin h ALA 78 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bin h ALA 78 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bin h ALA 78 CO -0.05 0.01 -0.55 -1.13 0.00 0.00 0.00 179.25 177.53 1bin n SER 79 N -4.59 2.76 0.00 0.00 3.41 0.24 -5.02 113.62 110.42 1bin n SER 79 Ca -0.09 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1bin n SER 79 Cb 0.43 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 1bin n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bin n GLY 80 N 1.76 0.61 3.14 5.00 0.00 0.13 -4.94 105.19 110.89 1bin n GLY 80 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1bin n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bin s THR 81 N -2.08 0.05 -0.00 2.61 -1.32 -1.26 -2.70 115.64 110.94 1bin s THR 81 Ca 0.00 -0.41 0.06 0.00 -1.21 0.00 0.00 61.69 60.13 1bin s THR 81 Cb 0.00 -0.44 -0.02 0.00 -1.51 0.00 0.00 72.50 70.53 1bin s THR 81 CO 0.00 -0.23 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.30 1bin s VAL 82 N -0.88 1.54 0.06 5.08 1.01 -1.26 -4.01 120.40 121.94 1bin s VAL 82 Ca -0.10 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1bin s VAL 82 Cb -0.05 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1bin s VAL 82 CO 0.02 0.38 -0.20 0.54 0.00 0.00 0.00 175.10 175.84 1bin s VAL 83 N -0.52 1.63 -0.03 2.92 0.11 -1.26 -4.75 120.40 118.49 1bin s VAL 83 Ca 0.07 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 57.91 1bin s VAL 83 Cb -0.08 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1bin s VAL 83 CO -0.00 0.13 -0.14 0.00 -3.33 0.00 0.00 175.10 171.75 1bin s ALA 84 N -0.88 2.67 0.52 1.54 0.00 -1.26 -5.01 121.76 119.33 1bin s ALA 84 Ca 0.07 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 1bin s ALA 84 Cb -0.09 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 22.02 1bin s ALA 84 CO 0.02 0.56 1.05 -3.47 0.00 0.00 0.00 175.76 173.92 1bin n ASP 85 N 2.15 1.31 0.06 0.00 -0.08 -1.26 -4.74 116.55 113.99 1bin n ASP 85 Ca -0.17 0.93 0.03 0.00 -1.51 0.00 0.00 54.79 54.07 1bin n ASP 85 Cb 0.52 -1.41 0.40 0.00 2.34 0.00 0.00 41.12 42.98 1bin n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bin h ALA 86 N 1.11 1.59 -0.49 -1.67 0.00 -2.00 -1.82 119.26 115.98 1bin h ALA 86 Ca -0.47 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1bin h ALA 86 Cb 1.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1bin h ALA 86 CO 0.54 0.31 0.01 0.00 0.00 0.00 0.00 179.25 180.11 1bin h ALA 87 N 1.68 0.65 0.00 0.00 0.00 -1.91 -0.92 119.26 118.76 1bin h ALA 87 Ca 0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1bin h ALA 87 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bin h ALA 87 CO -0.00 0.45 -0.42 1.25 0.00 0.00 0.00 179.25 180.54 1bin h LEU 88 N 0.71 0.00 -0.72 0.00 5.85 -1.82 -1.84 115.31 117.49 1bin h LEU 88 Ca 0.14 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1bin h LEU 88 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1bin h LEU 88 CO 0.02 0.42 -0.37 1.23 -0.34 0.00 0.00 178.44 179.40 1bin h GLY 89 N 1.35 0.60 1.55 3.75 0.00 -0.46 -3.30 103.07 106.55 1bin h GLY 89 Ca -0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 47.33 46.52 1bin h GLY 89 CO 0.05 0.52 -1.28 1.48 0.00 0.00 0.00 176.54 177.32 1bin h SER 90 N 0.46 0.00 -0.85 0.19 4.64 -0.87 -3.11 113.55 114.01 1bin h SER 90 Ca 0.05 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 1bin h SER 90 Cb 0.86 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.89 1bin h SER 90 CO 0.07 0.96 0.55 1.62 -0.87 0.00 0.00 176.83 179.16 1bin h VAL 91 N 0.00 1.03 0.00 0.95 3.04 -1.42 -2.14 116.25 117.72 1bin h VAL 91 Ca -0.13 -0.32 -0.16 0.00 -1.01 0.00 0.00 66.70 65.09 1bin h VAL 91 Cb 1.84 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 1bin h VAL 91 CO 0.10 0.17 -0.77 0.45 -1.01 0.00 0.00 177.57 176.51 1bin h HIS 92 N 0.92 0.00 0.00 3.17 3.86 -1.65 -3.30 115.15 118.15 1bin h HIS 92 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1bin h HIS 92 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1bin h HIS 92 CO -0.00 0.77 0.09 0.00 0.86 0.00 0.00 177.93 179.65 1bin n ALA 93 N -2.37 0.91 -0.66 2.45 0.00 -0.80 -3.33 120.51 116.71 1bin n ALA 93 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1bin n ALA 93 Cb 0.77 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1bin n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bin n GLN 94 N -2.14 0.00 0.01 0.00 -0.00 -1.25 -4.98 117.38 109.02 1bin n GLN 94 Ca -0.01 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.44 1bin n GLN 94 Cb 0.12 -1.17 0.00 0.00 -0.00 0.00 0.00 30.24 29.19 1bin n GLN 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1bin n LYS 95 N -1.39 0.00 0.02 2.61 2.85 -1.21 -4.96 118.16 116.07 1bin n LYS 95 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1bin n LYS 95 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1bin n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bin n ALA 96 N -2.07 0.15 -2.39 0.58 0.00 -1.26 -2.51 120.51 113.01 1bin n ALA 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1bin n ALA 96 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1bin n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bin n VAL 97 N -1.16 3.89 -3.01 0.00 0.31 -1.26 -4.67 118.33 112.42 1bin n VAL 97 Ca -0.00 -3.92 -0.24 0.00 -0.01 0.00 0.00 64.34 60.17 1bin n VAL 97 Cb 0.45 -2.43 0.01 0.00 -0.91 0.00 0.00 33.84 30.95 1bin n VAL 97 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1bin s THR 98 N 3.36 4.35 0.27 2.52 -4.23 -1.04 -5.00 115.64 115.87 1bin s THR 98 Ca 0.50 -0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1bin s THR 98 Cb 0.06 -3.61 0.24 0.00 1.34 0.00 0.00 72.50 70.53 1bin s THR 98 CO 0.02 -0.45 1.92 0.44 -0.54 0.00 0.00 174.62 176.01 1bin h ASP 99 N 0.43 1.02 -0.34 3.99 3.32 -1.91 -2.60 116.42 120.34 1bin h ASP 99 Ca -0.47 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1bin h ASP 99 Cb 1.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1bin h ASP 99 CO 0.59 0.78 0.20 -0.65 -1.72 0.00 0.00 179.24 178.44 1bin h PRO 100 N 1.18 0.49 -0.82 3.56 0.11 -1.95 -2.14 132.00 132.43 1bin h PRO 100 Ca 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1bin h PRO 100 Cb -0.06 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 30.91 1bin h PRO 100 CO -0.06 0.36 0.45 1.96 -0.21 0.00 0.00 178.00 180.51 1bin h GLN 101 N 0.50 1.14 -0.95 1.05 1.08 -1.74 -1.55 115.11 114.63 1bin h GLN 101 Ca 0.13 -0.13 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 1bin h GLN 101 Cb 0.02 -0.22 -0.07 0.00 -0.05 0.00 0.00 27.48 27.15 1bin h GLN 101 CO -0.02 0.83 0.61 0.74 -0.95 0.00 0.00 178.83 180.04 1bin h PHE 102 N 1.13 1.07 -0.25 2.96 0.04 -1.32 -1.39 116.94 119.18 1bin h PHE 102 Ca 0.29 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.91 1bin h PHE 102 Cb 0.02 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.83 1bin h PHE 102 CO 0.00 0.48 -0.54 0.28 -0.60 0.00 0.00 178.31 177.93 1bin h VAL 103 N 0.98 1.29 -0.66 -0.55 2.07 -1.34 -2.34 116.25 115.70 1bin h VAL 103 Ca 0.45 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1bin h VAL 103 Cb 0.40 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1bin h VAL 103 CO -0.21 0.56 0.40 0.58 0.02 0.00 0.00 177.57 178.92 1bin h VAL 104 N 0.57 1.18 0.00 2.57 2.07 -0.41 -1.40 116.25 120.82 1bin h VAL 104 Ca 0.01 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 1bin h VAL 104 Cb 1.12 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1bin h VAL 104 CO 0.11 0.19 -0.67 0.58 0.02 0.00 0.00 177.57 177.80 1bin h VAL 105 N 0.90 1.41 -0.24 2.57 2.07 -1.07 -2.27 116.25 119.62 1bin h VAL 105 Ca 0.24 -2.36 -0.10 0.00 0.82 0.00 0.00 66.70 65.29 1bin h VAL 105 Cb -0.04 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1bin h VAL 105 CO -0.05 0.66 -0.25 0.50 0.02 0.00 0.00 177.57 178.46 1bin h LYS 106 N 0.00 0.59 -0.67 1.57 3.64 -1.18 -0.52 116.57 120.01 1bin h LYS 106 Ca -0.01 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1bin h LYS 106 Cb 1.24 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1bin h LYS 106 CO 0.09 0.91 0.30 1.49 -2.27 0.00 0.00 179.45 179.97 1bin h GLU 107 N 0.30 0.98 -0.69 1.90 4.81 -1.11 -0.99 114.58 119.78 1bin h GLU 107 Ca 0.04 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1bin h GLU 107 Cb 0.81 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1bin h GLU 107 CO 0.06 0.80 0.23 0.00 -0.73 0.00 0.00 179.01 179.36 1bin h ALA 108 N 1.14 0.91 -0.21 2.92 0.00 -1.31 -2.31 119.26 120.40 1bin h ALA 108 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bin h ALA 108 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1bin h ALA 108 CO -0.02 0.58 0.11 1.25 0.00 0.00 0.00 179.25 181.17 1bin h LEU 109 N 1.01 0.26 -0.84 0.00 6.46 -0.56 -0.32 115.31 121.33 1bin h LEU 109 Ca 0.22 -0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.81 1bin h LEU 109 Cb 0.29 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1bin h LEU 109 CO -0.01 0.27 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.93 1bin h LEU 110 N 0.23 0.77 -1.14 2.25 3.38 -1.14 -0.53 115.31 119.13 1bin h LEU 110 Ca 0.07 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1bin h LEU 110 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1bin h LEU 110 CO -0.01 0.88 -0.33 0.50 0.09 0.00 0.00 178.44 179.57 1bin h LYS 111 N 0.71 0.17 -0.03 1.13 3.64 -1.28 -0.58 116.57 120.33 1bin h LYS 111 Ca 0.13 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.19 1bin h LYS 111 Cb 0.55 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1bin h LYS 111 CO 0.03 0.49 -0.98 1.15 -2.27 0.00 0.00 179.45 177.87 1bin h THR 112 N 0.15 1.29 -0.08 1.00 2.02 0.03 -1.91 112.91 115.42 1bin h THR 112 Ca 0.02 -2.21 -0.09 0.00 0.77 0.00 0.00 66.41 64.90 1bin h THR 112 Cb 0.66 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 1bin h THR 112 CO 0.05 0.69 -0.36 0.40 0.37 0.00 0.00 175.52 176.67 1bin h ILE 113 N 0.41 1.28 -0.28 3.11 1.08 -0.92 -1.66 117.51 120.53 1bin h ILE 113 Ca -0.11 -1.33 -0.06 0.00 -0.39 0.00 0.00 64.86 62.97 1bin h ILE 113 Cb 1.63 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 1bin h ILE 113 CO 0.19 0.39 -0.07 0.50 -0.69 0.00 0.00 178.15 178.48 1bin h LYS 114 N 0.13 0.54 -0.17 2.37 3.64 -0.98 -1.07 116.57 121.03 1bin h LYS 114 Ca 0.02 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1bin h LYS 114 Cb 0.69 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1bin h LYS 114 CO 0.05 0.74 -0.09 0.00 -2.27 0.00 0.00 179.45 177.88 1bin h ALA 115 N 0.78 1.53 -0.05 5.00 0.00 -0.90 -2.93 119.26 122.69 1bin h ALA 115 Ca 0.07 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1bin h ALA 115 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bin h ALA 115 CO 0.03 0.34 -0.81 0.00 0.00 0.00 0.00 179.25 178.81 1bin h ALA 116 N 1.66 0.17 0.00 0.00 0.00 -1.04 -3.35 119.26 116.70 1bin h ALA 116 Ca 0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1bin h ALA 116 Cb 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bin h ALA 116 CO 0.02 0.57 -0.69 -0.39 0.00 0.00 0.00 179.25 178.76 1bin h VAL 117 N 0.29 0.73 0.00 0.00 -1.51 -1.11 -3.45 116.25 111.20 1bin h VAL 117 Ca -0.09 -2.09 0.00 0.00 -1.23 0.00 0.00 66.70 63.29 1bin h VAL 117 Cb 1.47 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.92 1bin h VAL 117 CO 0.16 0.42 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 1bin n GLY 118 N 1.25 3.19 0.00 5.19 0.00 -1.11 -2.51 105.19 111.19 1bin n GLY 118 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1bin n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bin n ASP 119 N 7.86 0.00 -0.16 1.61 5.75 -1.26 -2.68 116.55 127.67 1bin n ASP 119 Ca 0.00 0.50 0.13 0.00 -0.01 0.00 0.00 54.79 55.40 1bin n ASP 119 Cb 0.00 -0.50 0.66 0.00 -1.03 0.00 0.00 41.12 40.25 1bin n ASP 119 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1bin n LYS 120 N -1.50 1.22 -2.28 0.11 4.01 -1.05 -4.90 118.16 113.78 1bin n LYS 120 Ca 0.03 -0.32 -0.41 0.00 -0.51 0.00 0.00 58.31 57.11 1bin n LYS 120 Cb 0.15 -1.41 -0.03 0.00 -0.51 0.00 0.00 35.03 33.23 1bin n LYS 120 CO 0.00 0.00 0.00 -0.46 -1.11 0.00 0.00 177.40 175.83 1bin s TRP 121 N -1.97 3.29 0.17 2.13 -0.11 -1.09 -4.97 118.94 116.39 1bin s TRP 121 Ca 0.37 1.50 -0.14 0.00 1.22 0.00 0.00 56.10 59.05 1bin s TRP 121 Cb 0.18 -3.51 0.01 0.00 -1.50 0.00 0.00 33.47 28.65 1bin s TRP 121 CO 0.29 -1.34 0.40 -1.54 -4.62 0.00 0.00 176.95 170.15 1bin s SER 122 N -0.49 -0.13 0.39 5.86 1.04 -1.26 -5.03 113.70 114.09 1bin s SER 122 Ca 0.48 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 56.41 1bin s SER 122 Cb -0.36 0.50 0.81 0.00 0.10 0.00 0.00 66.02 67.07 1bin s SER 122 CO 0.46 -0.95 1.94 -0.78 0.98 0.00 0.00 173.24 174.88 1bin h ASP 123 N 2.38 0.23 -0.67 7.02 3.58 -2.00 -2.48 116.42 124.47 1bin h ASP 123 Ca -0.31 -0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.17 1bin h ASP 123 Cb 1.25 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 1bin h ASP 123 CO 0.44 0.36 0.36 -0.33 -2.88 0.00 0.00 179.24 177.18 1bin h GLU 124 N 0.23 0.63 -0.11 0.28 5.08 -1.99 -1.10 114.58 117.61 1bin h GLU 124 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1bin h GLU 124 Cb 0.33 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1bin h GLU 124 CO 0.02 0.42 0.03 1.25 -1.00 0.00 0.00 179.01 179.73 1bin h LEU 125 N 0.65 0.16 -0.21 1.33 5.85 -1.83 -1.90 115.31 119.37 1bin h LEU 125 Ca 0.31 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1bin h LEU 125 Cb 0.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1bin h LEU 125 CO -0.20 0.32 0.08 -1.28 -0.34 0.00 0.00 178.44 177.01 1bin h SER 126 N -0.01 0.09 -1.00 1.25 0.87 -1.31 -2.67 113.55 110.77 1bin h SER 126 Ca 0.03 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1bin h SER 126 Cb 0.22 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.12 1bin h SER 126 CO -0.00 0.08 0.65 -0.09 -0.53 0.00 0.00 176.83 176.94 1bin h ARG 127 N 0.18 1.15 -0.62 2.24 9.65 -1.12 0.75 114.38 126.60 1bin h ARG 127 Ca 0.09 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1bin h ARG 127 Cb 0.05 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 1bin h ARG 127 CO -0.09 0.76 0.37 0.00 2.80 0.00 0.00 179.97 183.81 1bin h ALA 128 N 1.44 0.79 -0.34 2.80 0.00 -1.00 -2.51 119.26 120.45 1bin h ALA 128 Ca 0.43 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 1bin h ALA 128 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bin h ALA 128 CO -0.17 0.28 -0.48 -1.49 0.00 0.00 0.00 179.25 177.40 1bin h TRP 129 N 0.84 1.12 -0.51 0.00 4.06 -1.23 -3.02 115.95 117.22 1bin h TRP 129 Ca 0.22 -0.37 0.02 0.00 2.06 0.00 0.00 58.89 60.82 1bin h TRP 129 Cb -0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 27.90 1bin h TRP 129 CO -0.02 1.21 0.30 0.93 -3.56 0.00 0.00 178.44 177.30 1bin h GLU 130 N 0.72 0.59 -0.36 0.49 5.08 -0.73 -0.48 114.58 119.90 1bin h GLU 130 Ca 0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1bin h GLU 130 Cb 1.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1bin h GLU 130 CO 0.11 0.39 -0.01 0.28 -1.00 0.00 0.00 179.01 178.78 1bin h VAL 131 N 0.61 1.26 -0.29 3.13 2.07 -1.50 0.05 116.25 121.58 1bin h VAL 131 Ca 0.20 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 1bin h VAL 131 Cb 0.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1bin h VAL 131 CO -0.09 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.66 1bin h ALA 132 N 0.86 1.15 -0.16 1.67 0.00 -1.41 -0.97 119.26 120.41 1bin h ALA 132 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1bin h ALA 132 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bin h ALA 132 CO 0.02 0.53 -0.37 -0.92 0.00 0.00 0.00 179.25 178.51 1bin h TYR 133 N 0.47 0.68 -0.58 0.00 5.03 -0.91 -2.66 116.97 119.01 1bin h TYR 133 Ca 0.08 -0.26 -0.06 0.00 2.58 0.00 0.00 58.73 61.07 1bin h TYR 133 Cb 0.58 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 1bin h TYR 133 CO 0.02 1.00 0.13 -0.44 -1.32 0.00 0.00 178.16 177.55 1bin h ASP 134 N 0.16 0.89 -0.57 -2.11 3.32 -0.88 -0.20 116.42 117.04 1bin h ASP 134 Ca -0.00 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1bin h ASP 134 Cb 0.98 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1bin h ASP 134 CO 0.08 0.90 0.02 -0.33 -1.72 0.00 0.00 179.24 178.19 1bin h GLU 135 N 0.84 1.02 -0.17 3.56 4.39 -1.19 -1.94 114.58 121.09 1bin h GLU 135 Ca 0.18 -0.30 -0.16 0.00 0.34 0.00 0.00 59.36 59.42 1bin h GLU 135 Cb 0.36 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1bin h GLU 135 CO 0.00 0.98 -0.56 1.25 -1.16 0.00 0.00 179.01 179.53 1bin h LEU 136 N 0.94 0.58 -0.99 1.33 5.85 -1.33 -1.48 115.31 120.20 1bin h LEU 136 Ca 0.17 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1bin h LEU 136 Cb 0.51 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1bin h LEU 136 CO 0.02 1.02 -0.09 0.00 -0.34 0.00 0.00 178.44 179.05 1bin h ALA 137 N 0.99 1.16 -0.15 1.25 0.00 -0.88 -1.59 119.26 120.03 1bin h ALA 137 Ca 0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1bin h ALA 137 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1bin h ALA 137 CO 0.10 0.54 -0.68 0.00 0.00 0.00 0.00 179.25 179.21 1bin h ALA 138 N 1.33 0.52 -0.47 0.00 0.00 -1.18 -2.83 119.26 116.62 1bin h ALA 138 Ca 0.11 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1bin h ALA 138 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bin h ALA 138 CO 0.03 0.71 -0.19 0.00 0.00 0.00 0.00 179.25 179.80 1bin h ALA 139 N 0.80 0.78 -0.60 0.00 0.00 -1.18 -2.82 119.26 116.24 1bin h ALA 139 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1bin h ALA 139 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1bin h ALA 139 CO 0.13 0.66 0.21 0.82 0.00 0.00 0.00 179.25 181.07 1bin h ILE 140 N 0.81 1.24 -0.44 0.00 2.04 -1.29 0.42 117.51 120.28 1bin h ILE 140 Ca 0.11 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 1bin h ILE 140 Cb 0.74 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1bin h ILE 140 CO 0.06 0.30 -0.10 0.11 0.00 0.00 0.00 178.15 178.52 1bin h LYS 141 N 0.85 0.80 -0.02 2.37 1.57 -1.52 -3.19 116.57 117.42 1bin h LYS 141 Ca 0.20 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1bin h LYS 141 Cb 0.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bin h LYS 141 CO -0.01 0.87 -0.40 1.63 -0.57 0.00 0.00 179.45 180.97 1bin n LYS 142 N -4.17 1.34 0.00 3.15 4.01 -1.07 -5.08 118.16 116.35 1bin n LYS 142 Ca 0.01 -1.09 0.00 0.00 -0.51 0.00 0.00 58.31 56.72 1bin n LYS 142 Cb 0.36 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1bin n LYS 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29