#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5bir h ASP 3 N 9.23 0.58 -3.94 0.00 3.32 -1.19 -3.46 116.42 120.97 5bir h ASP 3 Ca -0.23 -0.60 -0.34 0.00 0.02 0.00 0.00 57.03 55.87 5bir h ASP 3 Cb 1.07 -0.19 -0.28 0.00 0.22 0.00 0.00 39.33 40.15 5bir h ASP 3 CO 1.10 1.46 -0.76 -0.31 -1.72 0.00 0.00 179.24 179.01 5bir s TYR 4 N -2.70 0.54 -0.27 4.55 1.51 -0.86 -4.95 117.35 115.16 5bir s TYR 4 Ca -0.06 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 5bir s TYR 4 Cb 0.06 -0.35 0.07 0.00 -0.11 0.00 0.00 41.96 41.64 5bir s TYR 4 CO 0.90 -0.01 -0.03 0.99 -1.11 0.00 0.00 175.55 176.30 5bir s THR 5 N -0.16 1.77 -0.68 -0.71 2.01 -1.26 -1.44 115.64 115.18 5bir s THR 5 Ca 0.02 -1.59 -0.11 0.00 0.31 0.00 0.00 61.69 60.32 5bir s THR 5 Cb -0.02 -2.10 0.18 0.00 0.01 0.00 0.00 72.50 70.57 5bir s THR 5 CO -0.00 -0.26 0.58 0.00 -0.69 0.00 0.00 174.62 174.25 5bir n GLY 7 N 4.21 1.00 0.00 0.00 0.00 -1.26 0.01 105.19 109.16 5bir n GLY 7 Ca 0.05 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.49 5bir n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 5bir n SER 8 N 7.77 0.79 -4.72 1.61 7.64 -1.26 -4.97 113.62 120.48 5bir n SER 8 Ca 0.00 -0.71 -0.40 0.00 1.01 0.00 0.00 58.87 58.77 5bir n SER 8 Cb 0.00 1.08 -0.05 0.00 -1.01 0.00 0.00 64.21 64.24 5bir n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 5bir s ASN 9 N -2.43 7.03 -0.20 6.43 0.01 0.10 -5.04 114.94 120.84 5bir s ASN 9 Ca 0.04 1.24 -0.03 0.00 -0.71 0.00 0.00 52.86 53.40 5bir s ASN 9 Cb 0.10 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 5bir s ASN 9 CO 0.55 -0.10 -0.07 0.00 -1.51 0.00 0.00 177.10 175.97 5bir s TYR 11 N 1.29 2.21 0.57 0.00 2.02 -0.52 -4.97 117.35 117.95 5bir s TYR 11 Ca 0.03 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 5bir s TYR 11 Cb -0.14 -1.25 0.07 0.00 -0.40 0.00 0.00 41.96 40.24 5bir s TYR 11 CO -0.03 0.24 0.79 -1.54 -1.57 0.00 0.00 175.55 173.44 5bir s SER 12 N -1.71 5.07 0.34 2.29 1.04 -1.26 -0.60 113.70 118.88 5bir s SER 12 Ca 0.12 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.25 5bir s SER 12 Cb -0.10 -0.32 0.63 0.00 0.10 0.00 0.00 66.02 66.33 5bir s SER 12 CO 0.04 -1.30 1.80 0.28 0.98 0.00 0.00 173.24 175.04 5bir h SER 13 N 0.06 0.18 0.71 7.02 0.02 -1.95 -2.43 113.55 117.16 5bir h SER 13 Ca -0.37 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.40 5bir h SER 13 Cb 1.28 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 5bir h SER 13 CO 0.45 0.49 -0.59 0.77 -1.14 0.00 0.00 176.83 176.80 5bir h SER 14 N 0.16 0.00 -0.30 3.07 4.64 -1.98 -0.25 113.55 118.89 5bir h SER 14 Ca 0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 5bir h SER 14 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 5bir h SER 14 CO 0.05 0.59 -0.33 0.44 -0.87 0.00 0.00 176.83 176.71 5bir h ASP 15 N 0.00 0.87 -0.29 4.97 3.32 -1.83 -1.61 116.42 121.85 5bir h ASP 15 Ca -0.01 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 5bir h ASP 15 Cb 1.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 5bir h ASP 15 CO 0.08 1.12 -0.09 0.58 -1.72 0.00 0.00 179.24 179.21 5bir h VAL 16 N 0.70 1.29 -0.78 -1.35 2.07 -1.11 -0.41 116.25 116.65 5bir h VAL 16 Ca 0.07 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 5bir h VAL 16 Cb 0.89 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 5bir h VAL 16 CO 0.08 0.37 0.39 0.28 0.02 0.00 0.00 177.57 178.70 5bir h SER 17 N 0.34 1.01 -0.16 0.57 0.02 -0.97 -0.42 113.55 113.93 5bir h SER 17 Ca 0.07 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 5bir h SER 17 Cb 0.59 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.88 5bir h SER 17 CO 0.03 0.84 -0.40 0.74 -1.14 0.00 0.00 176.83 176.90 5bir h THR 18 N 1.11 1.34 -0.60 -2.27 2.02 -1.00 -1.21 112.91 112.30 5bir h THR 18 Ca 0.27 -1.66 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 5bir h THR 18 Cb 0.09 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 5bir h THR 18 CO -0.04 0.51 0.28 0.00 0.37 0.00 0.00 175.52 176.64 5bir h ALA 19 N 0.56 0.77 -0.49 6.16 0.00 -0.85 -2.25 119.26 123.16 5bir h ALA 19 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 5bir h ALA 19 Cb 1.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 5bir h ALA 19 CO 0.09 0.35 0.00 0.37 0.00 0.00 0.00 179.25 180.06 5bir h GLN 20 N 0.82 0.86 -0.28 0.00 4.15 -0.96 -1.58 115.11 118.12 5bir h GLN 20 Ca 0.20 -0.27 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 5bir h GLN 20 Cb 0.14 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 5bir h GLN 20 CO -0.02 0.90 -0.21 0.00 -1.93 0.00 0.00 178.83 177.57 5bir h ALA 21 N 0.93 1.12 -0.05 3.38 0.00 -1.17 0.24 119.26 123.71 5bir h ALA 21 Ca 0.14 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 5bir h ALA 21 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 5bir h ALA 21 CO 0.02 0.55 -0.80 0.00 0.00 0.00 0.00 179.25 179.03 5bir h ALA 22 N 1.32 0.53 -0.18 0.00 0.00 -0.97 -2.47 119.26 117.48 5bir h ALA 22 Ca 0.07 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 5bir h ALA 22 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 5bir h ALA 22 CO 0.04 0.79 -0.46 0.78 0.00 0.00 0.00 179.25 180.41 5bir h GLY 23 N 1.31 0.69 1.00 0.00 0.00 -0.66 -3.01 103.07 102.40 5bir h GLY 23 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 5bir h GLY 23 CO 0.14 0.77 0.25 -1.82 0.00 0.00 0.00 176.54 175.88 5bir h TYR 24 N 0.30 0.92 -0.58 5.60 3.20 -0.55 -2.29 116.97 123.57 5bir h TYR 24 Ca -0.01 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 5bir h TYR 24 Cb 1.07 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 5bir h TYR 24 CO 0.09 0.73 0.35 -0.22 -1.64 0.00 0.00 178.16 177.47 5bir h LYS 25 N 0.85 0.79 -0.12 1.82 3.64 -1.41 -1.26 116.57 120.88 5bir h LYS 25 Ca 0.20 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 5bir h LYS 25 Cb 0.19 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 5bir h LYS 25 CO -0.02 0.55 -0.69 -0.07 -2.27 0.00 0.00 179.45 176.95 5bir h LEU 26 N 0.80 0.59 -0.22 5.20 3.38 -1.37 -2.23 115.31 121.47 5bir h LEU 26 Ca 0.21 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.82 5bir h LEU 26 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 5bir h LEU 26 CO -0.04 1.11 0.12 -0.74 0.09 0.00 0.00 178.44 178.98 5bir h HIS 27 N 0.36 0.22 -0.19 1.13 2.76 -0.83 0.24 115.15 118.84 5bir h HIS 27 Ca -0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 5bir h HIS 27 Cb 1.26 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 5bir h HIS 27 CO 0.05 0.13 -0.04 1.49 -1.30 0.00 0.00 177.93 178.26 5bir h GLU 28 N 0.25 0.28 0.00 5.26 4.81 -1.16 -0.97 114.58 123.05 5bir h GLU 28 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 5bir h GLU 28 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 5bir h GLU 28 CO -0.05 0.34 -0.61 -0.25 -0.73 0.00 0.00 179.01 177.72 5bir n ASP 29 N -4.34 0.57 -1.10 1.04 8.00 -0.85 -4.95 116.55 114.93 5bir n ASP 29 Ca -0.00 -0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 5bir n ASP 29 Cb 0.21 0.31 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 5bir n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5bir n GLY 30 N 1.44 0.19 3.53 0.44 0.00 0.03 -5.05 105.19 105.77 5bir n GLY 30 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 5bir n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5bir s GLU 31 N -4.74 2.02 0.13 1.61 2.02 0.62 -5.02 118.70 115.34 5bir s GLU 31 Ca 0.07 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.05 5bir s GLU 31 Cb -0.03 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 5bir s GLU 31 CO 0.09 0.51 -0.11 0.95 0.02 0.00 0.00 175.26 176.71 5bir s THR 32 N -1.15 1.17 0.07 3.63 -4.23 -1.26 -4.14 115.64 109.73 5bir s THR 32 Ca 0.19 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.83 5bir s THR 32 Cb -0.11 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 5bir s THR 32 CO 0.11 -0.64 -0.10 0.68 -0.54 0.00 0.00 174.62 174.14 5bir s VAL 33 N -2.89 0.81 0.00 2.29 -7.23 -0.00 -4.90 120.40 108.48 5bir s VAL 33 Ca 0.13 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 5bir s VAL 33 Cb -0.00 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.87 5bir s VAL 33 CO 0.01 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 5bir n GLY 34 N 0.96 -0.74 0.28 2.32 0.00 -1.26 -1.13 105.19 105.61 5bir n GLY 34 Ca -0.19 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.26 5bir n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 5bir h SER 35 N 0.00 0.24 -0.51 1.61 0.02 -1.95 -2.22 113.55 110.73 5bir h SER 35 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 5bir h SER 35 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 5bir h SER 35 CO 0.00 0.21 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 5bir n ASN 36 N -4.46 4.04 -3.62 3.07 3.02 -1.26 -4.97 115.26 111.08 5bir n ASN 36 Ca -0.00 -2.41 -0.20 0.00 -0.03 0.00 0.00 54.58 51.94 5bir n ASN 36 Cb 0.11 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 5bir n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 5bir n SER 37 N 0.82 -5.56 -4.79 6.41 7.64 -0.83 -4.83 113.62 112.47 5bir n SER 37 Ca 0.21 -0.77 -0.39 0.00 1.01 0.00 0.00 58.87 58.93 5bir n SER 37 Cb 0.78 -2.64 -0.06 0.00 -1.01 0.00 0.00 64.21 61.28 5bir n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 5bir s TYR 38 N -3.04 3.84 0.00 1.43 2.02 -0.28 -3.45 117.35 117.87 5bir s TYR 38 Ca 0.04 1.45 -0.30 0.00 -0.37 0.00 0.00 57.07 57.90 5bir s TYR 38 Cb -0.02 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 5bir s TYR 38 CO 0.86 0.53 1.06 -1.25 -1.57 0.00 0.00 175.55 175.19 5bir s PRO 39 N -1.20 4.49 0.38 -1.71 0.04 -1.26 -0.82 135.00 134.92 5bir s PRO 39 Ca 0.33 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.98 5bir s PRO 39 Cb -0.21 -3.45 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 5bir s PRO 39 CO 0.23 -0.17 -0.02 -3.38 0.04 0.00 0.00 177.00 173.70 5bir s HIS 40 N 1.23 2.43 0.22 0.56 -3.43 -1.15 -4.93 115.29 110.21 5bir s HIS 40 Ca 0.54 -0.65 -0.31 0.00 -0.80 0.00 0.00 55.06 53.84 5bir s HIS 40 Cb -0.23 -1.61 -0.10 0.00 -1.43 0.00 0.00 32.58 29.20 5bir s HIS 40 CO 0.27 0.44 1.51 0.15 -2.00 0.00 0.00 174.74 175.11 5bir s LYS 41 N -3.70 4.23 -0.28 -0.38 3.01 -1.26 -0.74 119.74 120.61 5bir s LYS 41 Ca 0.34 2.36 -0.06 0.00 -1.01 0.00 0.00 55.97 57.61 5bir s LYS 41 Cb 0.08 -3.11 0.01 0.00 -1.01 0.00 0.00 37.83 33.79 5bir s LYS 41 CO 0.17 -0.52 0.05 -0.47 0.51 0.00 0.00 175.35 175.09 5bir s TYR 42 N 0.42 3.12 -1.79 3.18 5.04 0.02 -4.70 117.35 122.63 5bir s TYR 42 Ca 0.64 -1.01 0.30 0.00 -2.44 0.00 0.00 57.07 54.56 5bir s TYR 42 Cb -0.43 -2.21 1.45 0.00 0.35 0.00 0.00 41.96 41.11 5bir s TYR 42 CO 0.39 -0.58 1.99 0.09 -1.34 0.00 0.00 175.55 176.10 5bir n ASN 43 N 4.84 0.36 -3.57 4.32 5.03 -1.26 -4.13 115.26 120.85 5bir n ASN 43 Ca -0.15 -0.71 -0.21 0.00 0.87 0.00 0.00 54.58 54.38 5bir n ASN 43 Cb 0.48 -0.08 0.07 0.00 -1.02 0.00 0.00 39.78 39.23 5bir n ASN 43 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 5bir n ASN 44 N -0.91 -3.94 0.30 6.41 5.15 -1.26 -4.92 115.26 116.09 5bir n ASN 44 Ca 0.18 -0.62 0.17 0.00 -0.60 0.00 0.00 54.58 53.70 5bir n ASN 44 Cb 0.23 -4.88 0.97 0.00 -0.53 0.00 0.00 39.78 35.57 5bir n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 5bir h TYR 45 N -2.24 0.00 0.00 1.20 0.05 -2.00 -1.56 116.97 112.42 5bir h TYR 45 Ca -0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.20 5bir h TYR 45 Cb 1.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.10 5bir h TYR 45 CO 0.48 0.01 0.00 0.93 -1.05 0.00 0.00 178.16 178.53 5bir h GLU 46 N 0.00 0.00 -2.60 4.88 3.07 -1.94 -3.47 114.58 114.52 5bir h GLU 46 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 5bir h GLU 46 Cb 0.05 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.00 5bir h GLU 46 CO 0.00 0.00 -0.29 0.41 -1.40 0.00 0.00 179.01 177.73 5bir n GLY 47 N 1.22 0.16 3.77 -3.84 0.00 -0.59 -4.98 105.19 100.92 5bir n GLY 47 Ca 0.05 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 5bir n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5bir s PHE 48 N -2.92 3.15 -1.26 1.61 0.08 -1.26 -4.93 117.98 112.44 5bir s PHE 48 Ca 0.18 1.51 -0.07 0.00 0.12 0.00 0.00 56.93 58.67 5bir s PHE 48 Cb -0.08 -3.52 0.17 0.00 -0.57 0.00 0.00 43.02 39.02 5bir s PHE 48 CO 0.22 -1.46 1.99 -0.25 -0.10 0.00 0.00 175.22 175.62 5bir n ASP 49 N 0.64 6.24 -4.77 1.36 8.00 -1.26 -4.98 116.55 121.78 5bir n ASP 49 Ca 0.01 -3.18 -0.41 0.00 0.71 0.00 0.00 54.79 51.93 5bir n ASP 49 Cb 0.44 -1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.11 5bir n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 5bir s PHE 50 N -0.62 2.94 -0.85 1.24 0.08 -1.26 -4.94 117.98 114.56 5bir s PHE 50 Ca 0.43 1.31 0.27 0.00 0.12 0.00 0.00 56.93 59.06 5bir s PHE 50 Cb 0.12 -3.78 0.93 0.00 -0.57 0.00 0.00 43.02 39.72 5bir s PHE 50 CO -0.02 -2.22 1.78 -1.13 -0.10 0.00 0.00 175.22 173.53 5bir n SER 51 N 0.91 0.47 -4.68 1.36 3.41 -1.26 -4.83 113.62 109.00 5bir n SER 51 Ca 0.01 0.47 -0.23 0.00 -0.26 0.00 0.00 58.87 58.85 5bir n SER 51 Cb 0.41 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 5bir n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 5bir s VAL 52 N -3.06 3.70 0.41 -3.33 -7.23 -1.26 -5.12 120.40 104.51 5bir s VAL 52 Ca 0.12 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 5bir s VAL 52 Cb 0.15 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 5bir s VAL 52 CO 0.59 -0.33 0.67 -0.94 -0.31 0.00 0.00 175.10 174.78 5bir s SER 53 N -3.59 6.29 0.90 4.85 1.04 -1.26 -5.04 113.70 116.90 5bir s SER 53 Ca 0.31 0.72 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 5bir s SER 53 Cb -0.07 -2.15 0.13 0.00 0.10 0.00 0.00 66.02 64.03 5bir s SER 53 CO 0.21 -0.43 1.10 -0.94 0.98 0.00 0.00 173.24 174.15 5bir s SER 54 N -4.00 3.28 0.14 7.02 1.04 -1.26 -4.75 113.70 115.17 5bir s SER 54 Ca 0.44 1.73 -0.31 0.00 0.48 0.00 0.00 55.95 58.29 5bir s SER 54 Cb -0.10 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 5bir s SER 54 CO 0.40 -2.80 1.48 -2.16 0.98 0.00 0.00 173.24 171.15 5bir s PRO 55 N -4.80 4.26 0.09 4.02 0.04 -1.26 -4.84 135.00 132.51 5bir s PRO 55 Ca 0.64 2.22 -0.02 0.00 0.04 0.00 0.00 61.00 63.88 5bir s PRO 55 Cb -0.20 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 5bir s PRO 55 CO 0.58 -0.53 0.28 0.71 0.04 0.00 0.00 177.00 178.08 5bir s TYR 56 N 1.17 3.51 -0.03 0.56 2.02 -1.26 -3.32 117.35 120.01 5bir s TYR 56 Ca 0.68 0.40 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 5bir s TYR 56 Cb -0.40 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 5bir s TYR 56 CO 0.31 0.53 -0.07 0.71 -1.57 0.00 0.00 175.55 175.46 5bir s TYR 57 N -1.55 0.77 -0.02 2.71 1.51 0.66 -0.80 117.35 120.63 5bir s TYR 57 Ca 0.37 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 56.15 5bir s TYR 57 Cb -0.13 -0.58 -0.05 0.00 -0.11 0.00 0.00 41.96 41.09 5bir s TYR 57 CO 0.25 -0.10 0.29 -1.83 -1.11 0.00 0.00 175.55 173.05 5bir s GLU 58 N 0.34 3.65 -0.02 -0.62 -1.05 0.08 -1.71 118.70 119.37 5bir s GLU 58 Ca -0.05 0.06 -0.00 0.00 -0.15 0.00 0.00 54.97 54.83 5bir s GLU 58 Cb -0.09 -3.13 0.02 0.00 -0.44 0.00 0.00 34.13 30.49 5bir s GLU 58 CO 0.00 0.68 0.03 -0.46 0.95 0.00 0.00 175.26 176.46 5bir s TRP 59 N -1.19 -0.01 0.26 4.83 -0.11 -0.24 -2.95 118.94 119.53 5bir s TRP 59 Ca 0.24 0.11 -0.30 0.00 1.22 0.00 0.00 56.10 57.38 5bir s TRP 59 Cb -0.14 -0.11 -0.09 0.00 -1.50 0.00 0.00 33.47 31.63 5bir s TRP 59 CO 0.13 -0.06 1.13 -2.14 -4.62 0.00 0.00 176.95 171.39 5bir s PRO 60 N 0.58 4.60 -0.13 5.86 0.02 -1.26 -0.63 135.00 144.04 5bir s PRO 60 Ca -0.05 1.83 -0.00 0.00 0.02 0.00 0.00 61.00 62.80 5bir s PRO 60 Cb -0.07 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 5bir s PRO 60 CO -0.02 0.13 -0.13 -1.50 -0.33 0.00 0.00 177.00 175.16 5bir s ILE 61 N -0.91 3.10 -0.16 2.83 2.07 -0.97 -4.51 121.20 122.64 5bir s ILE 61 Ca 0.46 -0.65 -0.07 0.00 -1.41 0.00 0.00 60.65 58.99 5bir s ILE 61 Cb -0.32 -2.30 -0.04 0.00 0.13 0.00 0.00 42.46 39.93 5bir s ILE 61 CO 0.41 0.53 0.07 -0.76 -1.91 0.00 0.00 174.94 173.27 5bir s LEU 62 N 0.29 3.89 0.54 8.50 1.43 -1.26 -4.35 118.68 127.72 5bir s LEU 62 Ca -0.10 0.16 0.26 0.00 -1.03 0.00 0.00 54.13 53.42 5bir s LEU 62 Cb -0.16 -1.96 1.41 0.00 0.03 0.00 0.00 46.19 45.51 5bir s LEU 62 CO 0.05 0.25 2.00 0.77 0.23 0.00 0.00 176.35 179.64 5bir h SER 63 N 6.17 0.00 0.79 2.29 4.64 -1.96 -1.30 113.55 124.17 5bir h SER 63 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 5bir h SER 63 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 5bir h SER 63 CO 0.66 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.39 5bir h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.46 113.55 117.70 5bir h SER 64 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 5bir h SER 64 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 5bir h SER 64 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 5bir n GLY 65 N -0.19 0.92 3.78 -0.77 0.00 -0.49 -5.05 105.19 103.39 5bir n GLY 65 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 5bir n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5bir s ASP 66 N -2.63 6.11 0.18 1.61 1.01 -1.26 -4.98 116.67 116.70 5bir s ASP 66 Ca 0.00 2.07 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 5bir s ASP 66 Cb 0.00 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 5bir s ASP 66 CO 0.00 -0.95 1.01 -0.69 0.21 0.00 0.00 175.17 174.75 5bir s VAL 67 N -1.83 4.13 0.32 -1.27 1.01 -1.26 -4.08 120.40 117.41 5bir s VAL 67 Ca 0.68 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 64.27 5bir s VAL 67 Cb -0.21 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 5bir s VAL 67 CO 0.24 0.36 1.57 0.00 0.00 0.00 0.00 175.10 177.27 5bir n TYR 68 N 2.21 2.90 -1.13 5.22 9.36 -1.26 -4.95 117.16 129.51 5bir n TYR 68 Ca 0.01 0.31 0.01 0.00 3.32 0.00 0.00 57.90 61.55 5bir n TYR 68 Cb 0.47 -2.58 0.02 0.00 -0.63 0.00 0.00 39.34 36.62 5bir n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 5bir n SER 69 N 1.67 0.61 0.00 2.98 3.41 -1.26 -5.04 113.62 115.99 5bir n SER 69 Ca 0.06 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 5bir n SER 69 Cb 0.37 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 5bir n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5bir n GLY 70 N -0.25 2.95 0.00 5.00 0.00 -1.26 -4.73 105.19 106.90 5bir n GLY 70 Ca 0.02 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.03 5bir n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5bir n GLY 71 N -0.66 -2.34 3.65 -0.02 0.00 -1.26 -4.80 105.19 99.77 5bir n GLY 71 Ca 0.00 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 5bir n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5bir s SER 72 N -1.44 6.74 0.35 1.61 0.01 -1.26 -4.74 113.70 114.97 5bir s SER 72 Ca 0.00 1.79 0.14 0.00 1.31 0.00 0.00 55.95 59.19 5bir s SER 72 Cb 0.00 -2.54 0.64 0.00 0.21 0.00 0.00 66.02 64.34 5bir s SER 72 CO 0.00 -0.93 1.76 1.55 0.41 0.00 0.00 173.24 176.03 5bir h PRO 73 N 9.14 0.00 0.00 12.44 0.13 -1.99 -3.50 132.00 148.22 5bir h PRO 73 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 5bir h PRO 73 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 5bir h PRO 73 CO 0.98 0.43 0.00 0.41 -0.23 0.00 0.00 178.00 179.59 5bir n GLY 74 N -0.11 -1.37 0.04 1.56 0.00 -1.26 -4.55 105.19 99.49 5bir n GLY 74 Ca -0.01 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.78 5bir n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5bir n ALA 75 N 1.84 2.46 -2.85 4.61 0.00 -1.26 -4.97 120.51 120.34 5bir n ALA 75 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 53.44 52.37 5bir n ALA 75 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 5bir n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 5bir s ASP 76 N -4.82 6.38 0.02 0.00 1.01 -1.26 -0.76 116.67 117.24 5bir s ASP 76 Ca -0.08 0.45 0.03 0.00 0.71 0.00 0.00 52.55 53.67 5bir s ASP 76 Cb 0.12 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 5bir s ASP 76 CO 0.88 0.37 -0.11 -0.13 0.21 0.00 0.00 175.17 176.40 5bir s ARG 77 N -0.83 0.75 -0.16 8.23 1.81 0.67 -2.30 118.95 127.12 5bir s ARG 77 Ca 0.14 -0.56 -0.10 0.00 -1.72 0.00 0.00 55.73 53.49 5bir s ARG 77 Cb -0.12 -0.71 -0.05 0.00 -0.45 0.00 0.00 34.95 33.63 5bir s ARG 77 CO 0.03 0.18 0.18 0.14 -0.68 0.00 0.00 175.30 175.15 5bir s VAL 78 N -0.66 5.39 -0.26 3.52 -7.23 0.20 -0.70 120.40 120.66 5bir s VAL 78 Ca 0.00 0.30 -0.07 0.00 -1.81 0.00 0.00 61.98 60.41 5bir s VAL 78 Cb -0.06 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 5bir s VAL 78 CO 0.00 0.48 0.06 -0.69 -0.31 0.00 0.00 175.10 174.64 5bir s VAL 79 N -0.01 4.05 0.37 1.32 1.01 0.83 -1.08 120.40 126.90 5bir s VAL 79 Ca 0.12 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.73 5bir s VAL 79 Cb -0.12 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 5bir s VAL 79 CO 0.01 0.25 0.05 0.72 0.00 0.00 0.00 175.10 176.14 5bir s PHE 80 N 1.55 2.04 0.53 5.22 -0.12 -0.69 -0.27 117.98 126.25 5bir s PHE 80 Ca 0.05 -0.95 0.03 0.00 -0.05 0.00 0.00 56.93 56.01 5bir s PHE 80 Cb -0.16 -1.40 0.02 0.00 -0.63 0.00 0.00 43.02 40.85 5bir s PHE 80 CO 0.02 0.07 0.21 0.54 -0.05 0.00 0.00 175.22 176.02 5bir s ASN 81 N -3.59 4.39 0.06 1.98 4.22 -0.41 -0.24 114.94 121.35 5bir s ASN 81 Ca 0.31 -1.46 0.15 0.00 -2.14 0.00 0.00 52.86 49.72 5bir s ASN 81 Cb 0.07 0.52 0.65 0.00 1.28 0.00 0.00 41.25 43.77 5bir s ASN 81 CO 0.15 -1.01 1.48 -0.62 -2.04 0.00 0.00 177.10 175.06 5bir n GLU 82 N -1.54 0.04 -0.13 3.55 1.02 -1.21 -0.78 120.64 121.59 5bir n GLU 82 Ca -0.11 0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 5bir n GLU 82 Cb 0.66 -1.58 0.30 0.00 -0.02 0.00 0.00 31.44 30.79 5bir n GLU 82 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 5bir n ASN 83 N -1.66 2.21 -2.74 1.62 5.03 -1.26 -4.94 115.26 113.52 5bir n ASN 83 Ca 0.03 -1.83 -0.20 0.00 0.87 0.00 0.00 54.58 53.45 5bir n ASN 83 Cb 0.17 -0.17 0.04 0.00 -1.02 0.00 0.00 39.78 38.79 5bir n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 5bir n ASN 84 N 0.68 -5.62 -4.60 6.41 4.05 0.04 -5.01 115.26 111.22 5bir n ASN 84 Ca 0.16 -0.28 -0.33 0.00 0.45 0.00 0.00 54.58 54.58 5bir n ASN 84 Cb 0.40 -4.42 -0.11 0.00 1.23 0.00 0.00 39.78 36.88 5bir n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 5bir s GLN 85 N -5.64 2.70 -0.02 1.20 -1.52 -1.25 -4.91 119.66 110.22 5bir s GLN 85 Ca 0.30 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 52.82 5bir s GLN 85 Cb -0.13 -2.58 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 5bir s GLN 85 CO 0.37 0.65 1.22 -1.17 -0.25 0.00 0.00 175.29 176.11 5bir s LEU 86 N -1.03 4.31 -0.17 2.90 2.96 -1.26 -1.29 118.68 125.10 5bir s LEU 86 Ca 0.14 1.90 -0.15 0.00 -0.22 0.00 0.00 54.13 55.80 5bir s LEU 86 Cb -0.11 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 5bir s LEU 86 CO 0.04 -0.57 0.29 0.00 -1.32 0.00 0.00 176.35 174.79 5bir h ALA 87 N 7.34 0.33 0.00 5.97 0.00 -0.97 -3.45 119.26 128.49 5bir h ALA 87 Ca -0.37 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.26 5bir h ALA 87 Cb 1.18 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.69 5bir h ALA 87 CO 0.87 0.97 0.00 0.41 0.00 0.00 0.00 179.25 181.49 5bir n GLY 88 N 1.68 0.84 3.12 0.00 0.00 -1.09 -4.67 105.19 105.07 5bir n GLY 88 Ca -0.32 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 5bir n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5bir s VAL 89 N -2.00 2.18 0.39 1.61 1.01 -1.26 -0.12 120.40 122.22 5bir s VAL 89 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.96 5bir s VAL 89 Cb 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 5bir s VAL 89 CO 0.00 0.39 0.03 0.27 0.00 0.00 0.00 175.10 175.79 5bir s ILE 90 N 1.26 1.67 -0.01 2.22 -4.36 0.12 -1.68 121.20 120.42 5bir s ILE 90 Ca 0.02 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.20 5bir s ILE 90 Cb -0.15 -2.87 0.04 0.00 1.25 0.00 0.00 42.46 40.74 5bir s ILE 90 CO -0.10 0.00 0.46 0.28 0.24 0.00 0.00 174.94 175.81 5bir s THR 91 N -2.91 0.04 -1.24 8.37 -1.32 -0.08 -0.24 115.64 118.25 5bir s THR 91 Ca 0.33 -0.31 0.26 0.00 -1.21 0.00 0.00 61.69 60.77 5bir s THR 91 Cb 0.09 -0.82 0.15 0.00 -1.51 0.00 0.00 72.50 70.41 5bir s THR 91 CO 0.16 -0.17 1.57 0.00 -2.21 0.00 0.00 174.62 173.97 5bir n GLN 92 N 0.96 0.26 -2.19 7.08 6.02 0.06 -1.57 117.38 128.01 5bir n GLN 92 Ca -0.20 -0.13 -0.43 0.00 -0.01 0.00 0.00 57.00 56.23 5bir n GLN 92 Cb 0.57 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 5bir n GLN 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 5bir s THR 93 N -2.83 3.85 0.00 5.09 2.01 -1.26 -2.13 115.64 120.37 5bir s THR 93 Ca 0.16 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.17 5bir s THR 93 Cb 0.18 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.96 5bir s THR 93 CO 0.61 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 5bir n GLY 94 N 4.17 0.45 3.46 4.40 0.00 -1.26 -4.78 105.19 111.63 5bir n GLY 94 Ca 0.17 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 5bir n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5bir s ALA 95 N -2.00 2.61 0.46 4.61 0.00 -0.90 -4.97 121.76 121.58 5bir s ALA 95 Ca 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.46 5bir s ALA 95 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.66 5bir s ALA 95 CO 0.00 0.48 0.65 -1.54 0.00 0.00 0.00 175.76 175.35 5bir s SER 96 N -2.52 5.61 1.26 0.00 1.04 -1.26 -4.87 113.70 112.95 5bir s SER 96 Ca 0.20 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.54 5bir s SER 96 Cb -0.09 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.02 5bir s SER 96 CO 0.10 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.10 5bir n GLY 97 N -2.04 3.41 1.37 7.32 0.00 -1.26 -1.58 105.19 112.41 5bir n GLY 97 Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.22 5bir n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5bir n ASN 98 N 5.12 4.49 -4.87 1.61 3.02 -1.26 -5.01 115.26 118.37 5bir n ASN 98 Ca 0.00 -3.08 -0.31 0.00 -0.03 0.00 0.00 54.58 51.17 5bir n ASN 98 Cb 0.00 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 5bir n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 5bir s ASN 99 N -1.51 6.45 0.11 6.41 0.01 -0.62 -5.08 114.94 120.71 5bir s ASN 99 Ca 0.48 1.31 0.10 0.00 -0.71 0.00 0.00 52.86 54.04 5bir s ASN 99 Cb 0.38 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 5bir s ASN 99 CO 0.11 -0.60 -0.25 -0.36 -1.51 0.00 0.00 177.10 174.49 5bir s PHE 100 N -2.70 2.35 0.30 2.20 0.40 -1.26 -4.49 117.98 114.78 5bir s PHE 100 Ca 0.54 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.61 5bir s PHE 100 Cb -0.10 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 5bir s PHE 100 CO 0.39 0.30 -0.13 0.14 0.70 0.00 0.00 175.22 176.62 5bir s VAL 101 N -1.02 2.53 0.26 -0.44 -7.23 -0.61 -4.95 120.40 108.94 5bir s VAL 101 Ca 0.14 -2.27 -0.25 0.00 -1.81 0.00 0.00 61.98 57.80 5bir s VAL 101 Cb -0.10 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 5bir s VAL 101 CO 0.06 -0.33 0.85 -0.70 -0.31 0.00 0.00 175.10 174.67 5bir s GLU 102 N -3.57 4.52 0.31 4.82 2.12 -1.26 -0.91 118.70 124.73 5bir s GLU 102 Ca 0.31 1.18 -0.26 0.00 0.36 0.00 0.00 54.97 56.57 5bir s GLU 102 Cb -0.03 -2.95 -0.10 0.00 0.26 0.00 0.00 34.13 31.31 5bir s GLU 102 CO 0.16 0.39 0.93 0.00 -0.54 0.00 0.00 175.26 176.20