#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bir h ASP 3 N 5.53 0.00 -3.31 0.00 3.32 -1.28 -3.45 116.42 117.23 2bir h ASP 3 Ca -0.45 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.38 2bir h ASP 3 Cb 1.20 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 2bir h ASP 3 CO 0.70 0.71 -0.55 -0.31 -1.72 0.00 0.00 179.24 178.07 2bir s TYR 4 N -2.85 -0.26 -0.24 4.55 1.51 -0.70 -5.00 117.35 114.35 2bir s TYR 4 Ca 0.03 0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 56.74 2bir s TYR 4 Cb 0.09 -0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.92 2bir s TYR 4 CO 0.78 -0.22 -0.07 0.99 -1.11 0.00 0.00 175.55 175.91 2bir s THR 5 N 1.44 2.79 -0.73 -0.71 2.01 -1.26 -1.27 115.64 117.91 2bir s THR 5 Ca -0.07 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 60.91 2bir s THR 5 Cb -0.11 -2.40 0.18 0.00 0.01 0.00 0.00 72.50 70.17 2bir s THR 5 CO -0.07 0.22 0.55 0.00 -0.69 0.00 0.00 174.62 174.63 2bir n GLY 7 N 2.45 1.58 0.12 0.00 0.00 -1.26 -2.66 105.19 105.42 2bir n GLY 7 Ca 0.17 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 2bir n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bir n SER 8 N 8.67 1.56 -4.73 1.61 7.64 -1.26 -4.98 113.62 122.13 2bir n SER 8 Ca 0.00 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 2bir n SER 8 Cb 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 2bir n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2bir s ASN 9 N -6.59 6.42 -0.18 6.43 0.01 -1.09 -5.05 114.94 114.90 2bir s ASN 9 Ca -0.16 2.84 -0.03 0.00 -0.71 0.00 0.00 52.86 54.80 2bir s ASN 9 Cb 0.07 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 2bir s ASN 9 CO 0.78 -0.92 -0.06 0.00 -1.51 0.00 0.00 177.10 175.39 2bir s TYR 11 N 0.84 1.29 0.67 0.00 2.02 -0.40 -5.00 117.35 116.77 2bir s TYR 11 Ca -0.02 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2bir s TYR 11 Cb -0.15 -0.93 0.10 0.00 -0.40 0.00 0.00 41.96 40.58 2bir s TYR 11 CO 0.01 -0.19 0.93 -1.54 -1.57 0.00 0.00 175.55 173.20 2bir s SER 12 N 0.41 4.62 0.31 2.29 1.04 -1.26 -0.76 113.70 120.35 2bir s SER 12 Ca -0.09 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.15 2bir s SER 12 Cb -0.13 -0.30 0.52 0.00 0.10 0.00 0.00 66.02 66.22 2bir s SER 12 CO 0.02 -1.65 1.81 0.28 0.98 0.00 0.00 173.24 174.67 2bir h SER 13 N -0.37 0.47 0.20 7.02 0.02 -1.98 -3.19 113.55 115.73 2bir h SER 13 Ca -0.38 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.32 2bir h SER 13 Cb 1.28 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2bir h SER 13 CO 0.44 0.63 -0.48 0.77 -1.14 0.00 0.00 176.83 177.05 2bir h SER 14 N 0.45 0.36 -0.57 3.07 4.64 -1.98 -1.47 113.55 118.04 2bir h SER 14 Ca 0.08 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 2bir h SER 14 Cb 0.49 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2bir h SER 14 CO 0.03 0.78 0.18 0.44 -0.87 0.00 0.00 176.83 177.40 2bir h ASP 15 N 0.26 0.86 0.23 4.97 3.32 -1.95 -1.93 116.42 122.18 2bir h ASP 15 Ca 0.01 -0.15 -0.26 0.00 0.02 0.00 0.00 57.03 56.66 2bir h ASP 15 Cb 0.95 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.29 2bir h ASP 15 CO 0.08 0.81 -1.07 0.58 -1.72 0.00 0.00 179.24 177.92 2bir h VAL 16 N 0.90 1.35 -0.03 -1.35 2.07 -1.51 -2.89 116.25 114.79 2bir h VAL 16 Ca 0.20 -2.45 -0.18 0.00 0.82 0.00 0.00 66.70 65.09 2bir h VAL 16 Cb 0.27 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2bir h VAL 16 CO -0.01 0.74 -0.78 0.28 0.02 0.00 0.00 177.57 177.83 2bir h SER 17 N 0.27 0.29 0.05 0.57 0.02 -1.15 -2.16 113.55 111.43 2bir h SER 17 Ca -0.12 -0.21 -0.22 0.00 -0.84 0.00 0.00 61.79 60.40 2bir h SER 17 Cb 1.73 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 64.20 2bir h SER 17 CO 0.20 0.95 -0.90 0.74 -1.14 0.00 0.00 176.83 176.68 2bir h THR 18 N 0.15 1.36 -0.36 -2.27 2.02 -1.44 -2.94 112.91 109.42 2bir h THR 18 Ca -0.03 -2.27 -0.06 0.00 0.77 0.00 0.00 66.41 64.82 2bir h THR 18 Cb 1.36 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 70.40 2bir h THR 18 CO 0.12 0.68 -0.01 0.00 0.37 0.00 0.00 175.52 176.68 2bir h ALA 19 N 0.30 0.49 -0.82 6.16 0.00 -1.57 -3.06 119.26 120.77 2bir h ALA 19 Ca -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2bir h ALA 19 Cb 1.60 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2bir h ALA 19 CO 0.17 0.27 0.46 0.37 0.00 0.00 0.00 179.25 180.53 2bir h GLN 20 N 0.46 1.13 0.00 0.00 4.15 -1.47 -2.27 115.11 117.11 2bir h GLN 20 Ca 0.10 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 2bir h GLN 20 Cb 0.48 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2bir h GLN 20 CO 0.02 0.82 -0.54 0.00 -1.93 0.00 0.00 178.83 177.20 2bir h ALA 21 N 1.25 1.11 -0.02 3.38 0.00 -1.55 -1.76 119.26 121.66 2bir h ALA 21 Ca 0.29 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2bir h ALA 21 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2bir h ALA 21 CO -0.05 0.67 -0.94 0.00 0.00 0.00 0.00 179.25 178.93 2bir h ALA 22 N 1.46 0.31 -0.05 0.00 0.00 -1.39 -2.99 119.26 116.60 2bir h ALA 22 Ca -0.01 -0.69 -0.22 0.00 0.00 0.00 0.00 54.91 54.00 2bir h ALA 22 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2bir h ALA 22 CO 0.07 0.76 -0.85 0.78 0.00 0.00 0.00 179.25 180.00 2bir h GLY 23 N 0.93 0.56 1.15 0.00 0.00 -1.28 -3.18 103.07 101.25 2bir h GLY 23 Ca -0.09 -0.89 -0.26 0.00 0.00 0.00 0.00 47.33 46.10 2bir h GLY 23 CO 0.17 0.79 -1.02 -1.82 0.00 0.00 0.00 176.54 174.66 2bir h TYR 24 N 0.32 0.99 -0.62 5.60 3.20 -1.42 -2.97 116.97 122.06 2bir h TYR 24 Ca -0.06 -0.55 0.05 0.00 3.14 0.00 0.00 58.73 61.30 2bir h TYR 24 Cb 1.47 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 2bir h TYR 24 CO 0.06 1.39 0.35 -0.22 -1.64 0.00 0.00 178.16 178.10 2bir h LYS 25 N 0.30 0.64 -0.08 1.82 1.63 -1.63 -1.89 116.57 117.37 2bir h LYS 25 Ca -0.13 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.52 2bir h LYS 25 Cb 1.69 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 33.16 2bir h LYS 25 CO 0.20 0.43 -0.43 -0.07 -3.45 0.00 0.00 179.45 176.12 2bir h LEU 26 N 0.66 0.19 -0.16 5.20 3.38 -1.65 -2.83 115.31 120.10 2bir h LEU 26 Ca 0.27 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2bir h LEU 26 Cb 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2bir h LEU 26 CO -0.16 0.60 -0.11 -0.74 0.09 0.00 0.00 178.44 178.13 2bir h HIS 27 N 0.15 0.42 0.00 1.13 2.76 -1.26 0.29 115.15 118.63 2bir h HIS 27 Ca 0.01 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 57.98 2bir h HIS 27 Cb 0.83 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 2bir h HIS 27 CO 0.01 0.71 -0.39 0.93 -1.30 0.00 0.00 177.93 177.89 2bir h GLU 28 N 0.02 0.00 -0.02 5.26 4.39 -1.36 -3.06 114.58 119.81 2bir h GLU 28 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2bir h GLU 28 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2bir h GLU 28 CO 0.03 0.39 -0.11 -0.25 -1.16 0.00 0.00 179.01 177.92 2bir n ASP 29 N -3.62 1.71 -0.58 1.42 8.00 -1.07 -4.96 116.55 117.45 2bir n ASP 29 Ca -0.01 -1.45 -0.08 0.00 0.71 0.00 0.00 54.79 53.97 2bir n ASP 29 Cb 0.50 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 2bir n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bir n GLY 30 N 1.27 0.91 3.90 0.44 0.00 -1.02 -5.01 105.19 105.69 2bir n GLY 30 Ca 0.16 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2bir n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bir s GLU 31 N -2.33 3.61 0.15 1.61 2.02 0.06 -5.01 118.70 118.81 2bir s GLU 31 Ca 0.00 -0.10 0.06 0.00 0.02 0.00 0.00 54.97 54.95 2bir s GLU 31 Cb 0.00 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2bir s GLU 31 CO 0.00 0.38 -0.12 0.95 0.02 0.00 0.00 175.26 176.49 2bir s THR 32 N -1.82 1.36 0.09 3.63 -4.23 -1.26 -4.26 115.64 109.14 2bir s THR 32 Ca 0.42 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2bir s THR 32 Cb -0.11 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 2bir s THR 32 CO 0.26 -0.60 -0.11 0.68 -0.54 0.00 0.00 174.62 174.31 2bir s VAL 33 N -2.84 0.98 0.03 2.29 -7.23 -0.51 -4.92 120.40 108.20 2bir s VAL 33 Ca 0.15 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2bir s VAL 33 Cb -0.01 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.71 2bir s VAL 33 CO 0.03 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 2bir n GLY 34 N 0.84 -2.23 0.16 2.32 0.00 -1.26 -2.23 105.19 102.78 2bir n GLY 34 Ca -0.18 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.38 2bir n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bir h SER 35 N -0.11 0.00 -0.40 1.61 4.64 -1.98 -3.27 113.55 114.04 2bir h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bir h SER 35 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2bir h SER 35 CO 0.00 0.42 0.00 0.59 -0.87 0.00 0.00 176.83 176.97 2bir n ASN 36 N -3.25 2.85 -3.22 4.97 4.13 -1.26 -5.03 115.26 114.45 2bir n ASN 36 Ca 0.02 -1.93 -0.05 0.00 1.68 0.00 0.00 54.58 54.30 2bir n ASN 36 Cb 0.67 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 2bir n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2bir n SER 37 N 1.07 -7.16 -4.70 6.41 7.64 -1.23 -4.95 113.62 110.69 2bir n SER 37 Ca 0.18 -0.27 -0.38 0.00 1.01 0.00 0.00 58.87 59.41 2bir n SER 37 Cb 0.49 -4.54 -0.06 0.00 -1.01 0.00 0.00 64.21 59.09 2bir n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2bir s TYR 38 N -3.00 3.47 0.28 1.43 2.02 -0.95 -3.57 117.35 117.03 2bir s TYR 38 Ca 0.01 0.86 -0.22 0.00 -0.37 0.00 0.00 57.07 57.34 2bir s TYR 38 Cb -0.00 -2.59 -0.09 0.00 -0.40 0.00 0.00 41.96 38.88 2bir s TYR 38 CO 0.78 0.09 0.82 -1.25 -1.57 0.00 0.00 175.55 174.42 2bir s PRO 39 N 0.93 4.37 0.33 -1.71 0.04 -1.26 -1.43 135.00 136.28 2bir s PRO 39 Ca 0.25 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.39 2bir s PRO 39 Cb -0.15 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.53 2bir s PRO 39 CO 0.10 0.32 0.05 -3.38 0.04 0.00 0.00 177.00 174.12 2bir s HIS 40 N -1.62 2.05 -0.04 0.56 -3.43 -1.21 -4.95 115.29 106.64 2bir s HIS 40 Ca 0.47 -0.90 -0.30 0.00 -0.80 0.00 0.00 55.06 53.53 2bir s HIS 40 Cb -0.17 -1.35 -0.05 0.00 -1.43 0.00 0.00 32.58 29.58 2bir s HIS 40 CO 0.21 0.08 1.57 0.21 -2.00 0.00 0.00 174.74 174.82 2bir s LYS 41 N -3.86 4.21 -0.57 -0.38 2.20 -1.26 -1.45 119.74 118.63 2bir s LYS 41 Ca 0.36 2.12 -0.19 0.00 -0.36 0.00 0.00 55.97 57.89 2bir s LYS 41 Cb 0.09 -3.84 0.08 0.00 -1.51 0.00 0.00 37.83 32.65 2bir s LYS 41 CO 0.16 -0.77 0.71 0.00 -0.36 0.00 0.00 175.35 175.08 2bir s ALA 42 N 3.52 3.37 0.26 3.13 0.00 0.82 -4.78 121.76 128.08 2bir s ALA 42 Ca 0.70 -2.01 0.31 0.00 0.00 0.00 0.00 51.96 50.95 2bir s ALA 42 Cb -0.33 -3.50 1.39 0.00 0.00 0.00 0.00 23.12 20.68 2bir s ALA 42 CO 0.28 -2.28 2.01 -0.91 0.00 0.00 0.00 175.76 174.86 2bir h ASN 43 N 9.16 0.00 -5.59 0.00 -0.26 -1.93 -3.35 115.58 113.61 2bir h ASN 43 Ca -0.29 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.16 2bir h ASN 43 Cb 1.09 0.00 0.18 0.00 -1.06 0.00 0.00 38.32 38.53 2bir h ASN 43 CO 1.06 0.09 -0.84 -3.20 -1.06 0.00 0.00 177.43 173.48 2bir n ASN 44 N -3.31 -5.16 0.22 5.81 5.15 -1.26 -4.98 115.26 111.72 2bir n ASN 44 Ca -0.01 -0.72 0.06 0.00 -0.60 0.00 0.00 54.58 53.32 2bir n ASN 44 Cb 0.29 -5.01 0.49 0.00 -0.53 0.00 0.00 39.78 35.02 2bir n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2bir h TYR 45 N -1.38 0.00 0.00 1.20 0.05 -2.02 -3.01 116.97 111.81 2bir h TYR 45 Ca -0.61 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.01 2bir h TYR 45 Cb 1.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.04 2bir h TYR 45 CO 0.34 0.25 -0.75 0.93 -1.05 0.00 0.00 178.16 177.89 2bir h GLU 46 N 0.00 0.00 -3.88 4.88 3.07 -1.94 -3.50 114.58 113.21 2bir h GLU 46 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2bir h GLU 46 Cb 0.48 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.43 2bir h GLU 46 CO 0.03 0.75 -0.18 0.41 -1.40 0.00 0.00 179.01 178.62 2bir n GLY 47 N 0.80 -0.19 3.84 -3.84 0.00 -1.14 -5.06 105.19 99.60 2bir n GLY 47 Ca -0.00 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2bir n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bir s PHE 48 N -3.08 3.38 -1.32 1.61 0.08 -1.26 -5.02 117.98 112.38 2bir s PHE 48 Ca 0.09 1.36 -0.10 0.00 0.12 0.00 0.00 56.93 58.40 2bir s PHE 48 Cb -0.01 -2.64 0.14 0.00 -0.57 0.00 0.00 43.02 39.94 2bir s PHE 48 CO 0.27 0.06 1.98 0.00 -0.10 0.00 0.00 175.22 177.42 2bir n ALA 49 N -0.34 5.49 -2.68 5.36 0.00 -1.26 -4.97 120.51 122.11 2bir n ALA 49 Ca 0.04 -4.22 -0.42 0.00 0.00 0.00 0.00 53.44 48.84 2bir n ALA 49 Cb 0.53 -3.08 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 2bir n ALA 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bir s PHE 50 N 0.87 3.45 -2.10 0.00 0.08 -1.26 -4.96 117.98 114.06 2bir s PHE 50 Ca 0.42 1.45 0.16 0.00 0.12 0.00 0.00 56.93 59.08 2bir s PHE 50 Cb 0.11 -3.13 0.78 0.00 -0.57 0.00 0.00 43.02 40.20 2bir s PHE 50 CO -0.02 -0.27 1.53 -1.13 -0.10 0.00 0.00 175.22 175.23 2bir n SER 51 N 5.27 0.75 -4.74 1.36 3.41 -1.26 -4.85 113.62 113.57 2bir n SER 51 Ca 0.08 -1.64 -0.23 0.00 -0.26 0.00 0.00 58.87 56.81 2bir n SER 51 Cb 0.48 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 2bir n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2bir s VAL 52 N -1.88 2.77 0.59 -3.33 -7.23 -1.26 -5.15 120.40 104.91 2bir s VAL 52 Ca 0.26 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.65 2bir s VAL 52 Cb 0.13 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2bir s VAL 52 CO 0.20 -0.12 0.95 -0.94 -0.31 0.00 0.00 175.10 174.88 2bir s SER 53 N -3.87 5.99 0.30 4.85 1.04 -1.26 -5.08 113.70 115.67 2bir s SER 53 Ca 0.39 1.11 -0.16 0.00 0.48 0.00 0.00 55.95 57.76 2bir s SER 53 Cb -0.01 -2.18 -0.09 0.00 0.10 0.00 0.00 66.02 63.85 2bir s SER 53 CO 0.23 -0.90 0.74 -0.55 0.98 0.00 0.00 173.24 173.73 2bir s SER 54 N -4.21 6.85 0.47 7.02 0.15 -1.26 -4.70 113.70 118.02 2bir s SER 54 Ca 0.53 1.33 -0.21 0.00 0.70 0.00 0.00 55.95 58.31 2bir s SER 54 Cb -0.11 -2.39 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 2bir s SER 54 CO 0.49 -0.15 1.04 -2.16 1.20 0.00 0.00 173.24 173.67 2bir s PRO 55 N -2.73 3.85 -0.07 5.44 0.04 -1.26 -4.95 135.00 135.32 2bir s PRO 55 Ca 0.52 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2bir s PRO 55 Cb -0.12 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2bir s PRO 55 CO 0.18 -0.39 -0.07 0.71 0.04 0.00 0.00 177.00 177.47 2bir s TYR 56 N -1.93 2.94 -0.08 0.56 2.02 -1.26 -3.77 117.35 115.84 2bir s TYR 56 Ca 0.66 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.38 2bir s TYR 56 Cb -0.17 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 2bir s TYR 56 CO 0.21 0.30 -0.15 0.71 -1.57 0.00 0.00 175.55 175.05 2bir s TYR 57 N -0.72 1.73 -0.13 2.71 2.02 -0.78 -0.13 117.35 122.05 2bir s TYR 57 Ca 0.11 -0.68 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 2bir s TYR 57 Cb -0.11 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2bir s TYR 57 CO 0.02 -0.33 0.13 -1.83 -1.57 0.00 0.00 175.55 171.96 2bir s GLU 58 N 0.65 3.54 -0.02 -0.62 -1.05 -0.53 -2.29 118.70 118.39 2bir s GLU 58 Ca -0.14 -0.16 -0.01 0.00 -0.15 0.00 0.00 54.97 54.50 2bir s GLU 58 Cb -0.16 -3.20 0.01 0.00 -0.44 0.00 0.00 34.13 30.34 2bir s GLU 58 CO 0.04 0.69 0.05 -0.46 0.95 0.00 0.00 175.26 176.53 2bir s TRP 59 N -0.77 -0.04 0.42 4.83 -0.11 -0.87 -3.34 118.94 119.05 2bir s TRP 59 Ca 0.14 0.14 -0.25 0.00 1.22 0.00 0.00 56.10 57.35 2bir s TRP 59 Cb -0.12 -0.03 -0.08 0.00 -1.50 0.00 0.00 33.47 31.74 2bir s TRP 59 CO 0.03 -0.04 1.24 -2.14 -4.62 0.00 0.00 176.95 171.42 2bir s PRO 60 N 0.28 3.89 -0.16 5.86 0.02 -1.26 -1.16 135.00 142.47 2bir s PRO 60 Ca -0.02 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2bir s PRO 60 Cb -0.03 -2.64 0.04 0.00 0.02 0.00 0.00 34.50 31.89 2bir s PRO 60 CO -0.01 -0.51 -0.09 -1.50 -0.33 0.00 0.00 177.00 174.57 2bir s ILE 61 N -1.35 1.34 -0.04 2.83 2.07 -1.03 -4.65 121.20 120.37 2bir s ILE 61 Ca 0.59 -0.69 -0.14 0.00 -1.41 0.00 0.00 60.65 59.01 2bir s ILE 61 Cb -0.34 -1.41 -0.05 0.00 0.13 0.00 0.00 42.46 40.78 2bir s ILE 61 CO 0.43 0.24 0.36 -0.76 -1.91 0.00 0.00 174.94 173.31 2bir s LEU 62 N 1.55 4.43 0.48 8.50 1.43 -1.26 -4.51 118.68 129.30 2bir s LEU 62 Ca 0.02 0.84 0.14 0.00 -1.03 0.00 0.00 54.13 54.10 2bir s LEU 62 Cb -0.15 -2.49 1.13 0.00 0.03 0.00 0.00 46.19 44.71 2bir s LEU 62 CO -0.09 0.30 2.09 0.77 0.23 0.00 0.00 176.35 179.66 2bir h SER 63 N 5.03 0.08 0.86 2.29 4.64 -1.94 -2.89 113.55 121.62 2bir h SER 63 Ca -0.51 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2bir h SER 63 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2bir h SER 63 CO 0.63 0.11 0.00 0.77 -0.87 0.00 0.00 176.83 177.47 2bir h SER 64 N 0.09 0.00 0.00 4.97 4.64 -1.97 -3.47 113.55 117.81 2bir h SER 64 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2bir h SER 64 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2bir h SER 64 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2bir n GLY 65 N -0.10 0.41 3.85 -0.77 0.00 -1.09 -5.09 105.19 102.40 2bir n GLY 65 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2bir n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bir s ASP 66 N -2.47 6.61 0.33 1.61 1.01 -1.26 -5.01 116.67 117.49 2bir s ASP 66 Ca 0.00 1.48 -0.19 0.00 0.71 0.00 0.00 52.55 54.55 2bir s ASP 66 Cb 0.00 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.36 2bir s ASP 66 CO 0.00 -0.54 0.83 -0.69 0.21 0.00 0.00 175.17 174.98 2bir s VAL 67 N -2.56 4.51 0.21 -1.27 1.01 -1.26 -4.24 120.40 116.81 2bir s VAL 67 Ca 0.57 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 2bir s VAL 67 Cb -0.10 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2bir s VAL 67 CO 0.31 -0.10 1.06 -0.47 0.00 0.00 0.00 175.10 175.90 2bir s TYR 68 N -1.90 3.68 0.00 5.22 5.04 -1.26 -4.95 117.35 123.18 2bir s TYR 68 Ca 0.54 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.87 2bir s TYR 68 Cb -0.12 -3.21 0.00 0.00 0.35 0.00 0.00 41.96 38.98 2bir s TYR 68 CO 0.18 -0.34 0.00 -1.13 -1.34 0.00 0.00 175.55 172.92 2bir n SER 69 N 1.90 0.00 0.00 4.32 3.41 -1.26 -5.06 113.62 116.93 2bir n SER 69 Ca 0.01 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 2bir n SER 69 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2bir n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bir n GLY 70 N 0.00 3.58 3.80 5.00 0.00 -1.26 -4.42 105.19 111.89 2bir n GLY 70 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2bir n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bir n GLY 71 N -1.59 0.11 3.66 -0.02 0.00 -1.26 -4.91 105.19 101.18 2bir n GLY 71 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2bir n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bir s SER 72 N -4.00 6.70 0.17 1.61 0.15 -1.26 -4.75 113.70 112.33 2bir s SER 72 Ca 0.00 2.20 0.02 0.00 0.70 0.00 0.00 55.95 58.87 2bir s SER 72 Cb 0.00 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2bir s SER 72 CO 0.00 -0.89 1.39 1.55 1.20 0.00 0.00 173.24 176.49 2bir h PRO 73 N 9.22 0.23 0.00 5.44 0.13 -1.99 -3.50 132.00 141.53 2bir h PRO 73 Ca -0.38 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2bir h PRO 73 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bir h PRO 73 CO 0.95 0.95 0.00 0.41 -0.23 0.00 0.00 178.00 180.08 2bir n GLY 74 N 0.79 -1.32 0.04 1.56 0.00 -1.26 -4.58 105.19 100.42 2bir n GLY 74 Ca -0.04 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.53 2bir n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bir n ALA 75 N 1.86 2.31 -2.67 4.61 0.00 -1.26 -5.00 120.51 120.36 2bir n ALA 75 Ca 0.00 -0.82 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 2bir n ALA 75 Cb 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 2bir n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bir s ASP 76 N -4.90 6.60 -0.01 0.00 1.01 -1.26 -2.01 116.67 116.10 2bir s ASP 76 Ca -0.09 0.72 0.02 0.00 0.71 0.00 0.00 52.55 53.91 2bir s ASP 76 Cb 0.11 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.85 2bir s ASP 76 CO 0.88 0.29 -0.07 -0.13 0.21 0.00 0.00 175.17 176.35 2bir s ARG 77 N -0.68 0.62 -0.09 8.23 1.81 -0.30 -2.45 118.95 126.09 2bir s ARG 77 Ca 0.20 -0.23 -0.12 0.00 -1.72 0.00 0.00 55.73 53.85 2bir s ARG 77 Cb -0.14 -0.61 -0.05 0.00 -0.45 0.00 0.00 34.95 33.70 2bir s ARG 77 CO 0.08 0.12 0.30 0.14 -0.68 0.00 0.00 175.30 175.26 2bir s VAL 78 N -0.01 5.26 -0.17 3.52 -7.23 -0.31 -0.96 120.40 120.50 2bir s VAL 78 Ca 0.01 0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 60.73 2bir s VAL 78 Cb -0.05 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 2bir s VAL 78 CO -0.00 0.52 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.52 2bir s VAL 79 N -0.52 3.15 0.45 1.32 1.01 0.04 -2.06 120.40 123.80 2bir s VAL 79 Ca 0.19 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2bir s VAL 79 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2bir s VAL 79 CO 0.08 0.49 0.03 0.72 0.00 0.00 0.00 175.10 176.41 2bir s PHE 80 N 0.83 2.04 0.00 5.22 -0.71 -0.97 -1.70 117.98 122.69 2bir s PHE 80 Ca -0.03 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 2bir s PHE 80 Cb -0.15 -1.57 0.00 0.00 -1.21 0.00 0.00 43.02 40.09 2bir s PHE 80 CO 0.01 0.20 0.00 0.27 -1.34 0.00 0.00 175.22 174.36 2bir n ASN 81 N -1.14 0.79 0.12 1.98 6.94 -0.89 -1.87 115.26 121.18 2bir n ASN 81 Ca -0.12 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.56 2bir n ASN 81 Cb 0.67 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 38.26 2bir n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2bir h GLU 82 N 0.00 0.00 0.00 -3.83 4.57 -1.87 -3.30 114.58 110.15 2bir h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2bir h GLU 82 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2bir h GLU 82 CO 0.00 0.00 -0.83 0.09 -1.18 0.00 0.00 179.01 177.09 2bir n ASN 83 N -2.50 0.72 -2.15 1.04 5.03 -1.26 -4.99 115.26 111.15 2bir n ASN 83 Ca 0.03 0.11 -0.05 0.00 0.87 0.00 0.00 54.58 55.54 2bir n ASN 83 Cb 0.48 0.39 0.02 0.00 -1.02 0.00 0.00 39.78 39.65 2bir n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2bir n ASN 84 N -2.24 -3.82 -4.09 6.41 4.05 -1.24 -5.10 115.26 109.23 2bir n ASN 84 Ca 0.02 -0.24 -0.23 0.00 0.45 0.00 0.00 54.58 54.58 2bir n ASN 84 Cb 0.47 -2.33 -0.15 0.00 1.23 0.00 0.00 39.78 39.00 2bir n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2bir s GLN 85 N -3.46 1.27 0.02 1.20 -0.21 -1.26 -4.97 119.66 112.25 2bir s GLN 85 Ca 0.15 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 54.75 2bir s GLN 85 Cb -0.02 -1.18 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 2bir s GLN 85 CO 0.28 0.24 0.95 -1.17 -2.12 0.00 0.00 175.29 173.47 2bir s LEU 86 N -0.11 4.40 -0.20 2.90 2.96 -1.26 -2.10 118.68 125.27 2bir s LEU 86 Ca 0.01 1.65 -0.11 0.00 -0.22 0.00 0.00 54.13 55.45 2bir s LEU 86 Cb -0.08 -3.52 -0.20 0.00 0.50 0.00 0.00 46.19 42.89 2bir s LEU 86 CO 0.00 -0.20 0.09 0.00 -1.32 0.00 0.00 176.35 174.93 2bir n ALA 87 N 3.61 1.00 0.00 5.97 0.00 -0.69 -4.83 120.51 125.57 2bir n ALA 87 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2bir n ALA 87 Cb 0.51 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2bir n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bir n GLY 88 N 1.73 1.76 3.29 0.00 0.00 -1.21 -4.66 105.19 106.09 2bir n GLY 88 Ca -0.38 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 2bir n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bir s VAL 89 N -2.00 3.17 0.33 1.61 1.01 -1.26 -0.78 120.40 122.47 2bir s VAL 89 Ca 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.51 2bir s VAL 89 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2bir s VAL 89 CO 0.00 0.45 -0.08 0.27 0.00 0.00 0.00 175.10 175.73 2bir s ILE 90 N 1.38 2.46 -0.04 2.22 -4.36 -0.13 -1.39 121.20 121.35 2bir s ILE 90 Ca 0.05 -2.17 -0.16 0.00 -0.26 0.00 0.00 60.65 58.11 2bir s ILE 90 Cb -0.14 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.97 2bir s ILE 90 CO -0.04 -0.25 0.34 0.28 0.24 0.00 0.00 174.94 175.51 2bir s THR 91 N -2.55 0.04 -0.80 8.37 -1.32 -0.05 -1.15 115.64 118.18 2bir s THR 91 Ca 0.33 -0.37 0.26 0.00 -1.21 0.00 0.00 61.69 60.70 2bir s THR 91 Cb -0.00 -0.62 0.22 0.00 -1.51 0.00 0.00 72.50 70.59 2bir s THR 91 CO 0.17 -0.20 1.73 1.41 -2.21 0.00 0.00 174.62 175.52 2bir n HIS 92 N 1.51 0.58 -2.08 9.09 8.25 -0.85 -1.02 115.22 130.70 2bir n HIS 92 Ca -0.20 0.17 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 2bir n HIS 92 Cb 0.56 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 2bir n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2bir s THR 93 N -3.08 3.66 0.00 1.59 2.01 -1.26 -2.48 115.64 116.07 2bir s THR 93 Ca 0.11 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.85 2bir s THR 93 Cb 0.14 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2bir s THR 93 CO 0.60 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 2bir n GLY 94 N 4.65 0.42 3.28 4.40 0.00 -1.26 -4.76 105.19 111.91 2bir n GLY 94 Ca 0.19 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2bir n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bir s ALA 95 N -2.00 1.96 -0.43 4.61 0.00 -1.04 -4.97 121.76 119.89 2bir s ALA 95 Ca 0.00 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 2bir s ALA 95 Cb 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2bir s ALA 95 CO 0.00 0.47 1.61 -1.54 0.00 0.00 0.00 175.76 176.30 2bir s SER 96 N -0.79 6.00 1.01 0.00 1.04 -1.26 -4.75 113.70 114.95 2bir s SER 96 Ca 0.09 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2bir s SER 96 Cb -0.09 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2bir s SER 96 CO 0.00 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.13 2bir n GLY 97 N 5.31 1.74 1.71 7.32 0.00 -1.26 -3.27 105.19 116.75 2bir n GLY 97 Ca 0.19 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 2bir n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bir n ASN 98 N 8.47 4.45 -4.95 1.61 3.02 -1.26 -4.94 115.26 121.66 2bir n ASN 98 Ca 0.00 -2.89 -0.23 0.00 -0.03 0.00 0.00 54.58 51.43 2bir n ASN 98 Cb 0.00 -0.68 0.04 0.00 -0.61 0.00 0.00 39.78 38.52 2bir n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2bir s ASN 99 N -0.67 5.33 0.12 6.41 0.01 -1.20 -5.05 114.94 119.88 2bir s ASN 99 Ca 0.44 0.27 0.07 0.00 -0.71 0.00 0.00 52.86 52.93 2bir s ASN 99 Cb 0.35 -1.19 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 2bir s ASN 99 CO 0.12 -1.15 -0.18 -0.36 -1.51 0.00 0.00 177.10 174.02 2bir s PHE 100 N -2.87 1.62 0.05 2.20 0.08 -1.26 -4.28 117.98 113.52 2bir s PHE 100 Ca 0.56 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 57.17 2bir s PHE 100 Cb -0.10 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 2bir s PHE 100 CO 0.41 0.20 -0.10 0.14 -0.10 0.00 0.00 175.22 175.76 2bir s VAL 101 N -1.58 0.76 0.27 -0.44 -7.23 -0.19 -4.97 120.40 107.02 2bir s VAL 101 Ca 0.08 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 2bir s VAL 101 Cb -0.08 -0.77 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 2bir s VAL 101 CO 0.04 -0.25 1.02 -1.61 -0.31 0.00 0.00 175.10 173.99 2bir s GLU 102 N -1.45 4.71 -0.04 4.82 2.02 -1.26 -0.88 118.70 126.62 2bir s GLU 102 Ca -0.05 1.62 -0.30 0.00 0.02 0.00 0.00 54.97 56.26 2bir s GLU 102 Cb -0.09 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2bir s GLU 102 CO 0.01 0.33 1.28 0.00 0.02 0.00 0.00 175.26 176.90