#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rga h ASP 3 N 5.63 0.12 -3.51 0.00 3.32 -1.65 -3.43 116.42 116.90 1rga h ASP 3 Ca -0.46 -0.06 -0.28 0.00 0.02 0.00 0.00 57.03 56.26 1rga h ASP 3 Cb 1.20 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 1rga h ASP 3 CO 0.69 0.64 -0.68 -0.31 -1.72 0.00 0.00 179.24 177.85 1rga s TYR 4 N -3.84 -0.04 -0.18 4.55 2.02 -0.53 -4.94 117.35 114.39 1rga s TYR 4 Ca -0.03 0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1rga s TYR 4 Cb 0.13 -0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.52 1rga s TYR 4 CO 0.77 -0.11 -0.15 0.99 -1.57 0.00 0.00 175.55 175.48 1rga s THR 5 N 1.02 2.55 -0.48 -0.71 2.01 -1.26 -1.02 115.64 117.74 1rga s THR 5 Ca -0.08 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1rga s THR 5 Cb -0.11 -2.10 0.13 0.00 0.01 0.00 0.00 72.50 70.42 1rga s THR 5 CO -0.04 0.50 0.25 0.00 -0.69 0.00 0.00 174.62 174.65 1rga n GLY 7 N 3.86 2.87 0.48 0.00 0.00 -1.26 -0.81 105.19 110.33 1rga n GLY 7 Ca 0.04 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1rga n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rga n SER 8 N 8.33 1.93 -4.74 1.61 7.64 -1.26 -4.93 113.62 122.19 1rga n SER 8 Ca 0.00 -1.45 -0.40 0.00 1.01 0.00 0.00 58.87 58.03 1rga n SER 8 Cb 0.00 0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 1rga n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1rga s ASN 9 N -2.47 7.16 -0.14 6.43 0.01 0.01 -5.05 114.94 120.89 1rga s ASN 9 Ca 0.19 1.39 -0.00 0.00 -0.71 0.00 0.00 52.86 53.73 1rga s ASN 9 Cb 0.18 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 1rga s ASN 9 CO 0.56 0.01 -0.13 0.00 -1.51 0.00 0.00 177.10 176.03 1rga s TYR 11 N 0.46 1.54 0.43 0.00 2.02 -0.19 -5.01 117.35 116.60 1rga s TYR 11 Ca -0.10 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1rga s TYR 11 Cb -0.16 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1rga s TYR 11 CO 0.05 -0.00 0.60 -1.54 -1.57 0.00 0.00 175.55 173.08 1rga s SER 12 N -0.59 5.64 0.37 2.29 1.04 -1.26 -1.45 113.70 119.73 1rga s SER 12 Ca 0.06 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.31 1rga s SER 12 Cb -0.07 -0.81 0.86 0.00 0.10 0.00 0.00 66.02 66.10 1rga s SER 12 CO -0.00 -0.79 1.88 0.28 0.98 0.00 0.00 173.24 175.59 1rga h SER 13 N 0.56 0.61 -0.50 7.02 0.02 -1.97 -1.31 113.55 117.97 1rga h SER 13 Ca -0.41 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.46 1rga h SER 13 Cb 1.28 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1rga h SER 13 CO 0.48 0.31 -0.15 0.77 -1.14 0.00 0.00 176.83 177.10 1rga h SER 14 N 0.65 1.00 -0.66 3.07 4.64 -1.99 0.18 113.55 120.45 1rga h SER 14 Ca 0.44 -0.37 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1rga h SER 14 Cb 0.75 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1rga h SER 14 CO -0.19 1.14 0.42 0.44 -0.87 0.00 0.00 176.83 177.77 1rga h ASP 15 N 0.85 0.71 0.15 4.97 3.32 -1.64 -1.17 116.42 123.62 1rga h ASP 15 Ca 0.12 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1rga h ASP 15 Cb 0.72 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1rga h ASP 15 CO 0.06 0.50 -0.07 0.58 -1.72 0.00 0.00 179.24 178.58 1rga h VAL 16 N 0.84 0.92 -0.64 -1.35 2.07 -0.98 -1.56 116.25 115.56 1rga h VAL 16 Ca 0.25 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1rga h VAL 16 Cb -0.04 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1rga h VAL 16 CO -0.08 0.08 0.24 0.28 0.02 0.00 0.00 177.57 178.11 1rga h SER 17 N -0.37 0.24 -0.13 0.57 0.02 -0.45 0.33 113.55 113.76 1rga h SER 17 Ca -0.02 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1rga h SER 17 Cb 0.29 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1rga h SER 17 CO 0.03 0.13 0.05 0.74 -1.14 0.00 0.00 176.83 176.64 1rga h THR 18 N 0.42 1.16 -0.21 -2.27 2.02 -1.10 -0.62 112.91 112.31 1rga h THR 18 Ca 0.33 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1rga h THR 18 Cb 0.42 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1rga h THR 18 CO -0.32 0.15 0.06 0.00 0.37 0.00 0.00 175.52 175.77 1rga h ALA 19 N 0.88 0.27 -0.83 6.16 0.00 -0.53 -2.78 119.26 122.42 1rga h ALA 19 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1rga h ALA 19 Cb 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1rga h ALA 19 CO -0.00 -0.10 0.52 0.37 0.00 0.00 0.00 179.25 180.03 1rga h GLN 20 N 0.16 0.93 -0.80 0.00 4.15 -0.28 -1.22 115.11 118.05 1rga h GLN 20 Ca 0.07 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1rga h GLN 20 Cb 0.24 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1rga h GLN 20 CO -0.00 0.62 0.50 0.00 -1.93 0.00 0.00 178.83 178.02 1rga h ALA 21 N 1.39 1.02 -0.33 3.38 0.00 -1.01 0.30 119.26 124.01 1rga h ALA 21 Ca 0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1rga h ALA 21 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rga h ALA 21 CO -0.16 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.53 1rga h ALA 22 N 1.27 0.45 -0.66 0.00 0.00 -1.09 -1.89 119.26 117.34 1rga h ALA 22 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rga h ALA 22 Cb -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1rga h ALA 22 CO -0.06 0.24 0.30 0.78 0.00 0.00 0.00 179.25 180.52 1rga h GLY 23 N 0.40 1.03 1.20 0.00 0.00 -0.75 -2.42 103.07 102.53 1rga h GLY 23 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1rga h GLY 23 CO 0.02 0.50 -0.12 -1.82 0.00 0.00 0.00 176.54 175.12 1rga h TYR 24 N 0.92 1.05 -0.16 5.60 3.20 -0.33 -0.54 116.97 126.71 1rga h TYR 24 Ca 0.23 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1rga h TYR 24 Cb 0.14 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1rga h TYR 24 CO 0.01 0.99 0.05 -0.22 -1.64 0.00 0.00 178.16 177.35 1rga h LYS 25 N 0.84 0.25 -0.64 1.82 1.63 -1.26 0.13 116.57 119.34 1rga h LYS 25 Ca 0.13 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1rga h LYS 25 Cb 0.66 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.22 1rga h LYS 25 CO 0.05 0.38 0.42 -0.07 -3.45 0.00 0.00 179.45 176.77 1rga h LEU 26 N 0.08 0.70 -0.22 5.20 3.38 -1.21 -1.10 115.31 122.14 1rga h LEU 26 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1rga h LEU 26 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1rga h LEU 26 CO -0.00 0.50 0.11 -0.74 0.09 0.00 0.00 178.44 178.39 1rga h HIS 27 N 0.82 0.32 -0.50 1.13 2.76 -0.21 -0.63 115.15 118.85 1rga h HIS 27 Ca 0.24 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1rga h HIS 27 Cb -0.03 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1rga h HIS 27 CO -0.00 0.33 0.29 0.93 -1.30 0.00 0.00 177.93 178.18 1rga h GLU 28 N 0.23 0.67 -0.00 5.26 4.39 -0.23 -2.16 114.58 122.73 1rga h GLU 28 Ca 0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1rga h GLU 28 Cb 0.13 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1rga h GLU 28 CO -0.01 0.47 -0.12 -0.25 -1.16 0.00 0.00 179.01 177.94 1rga n ASP 29 N -4.43 0.24 -2.06 1.42 8.00 -0.47 -4.93 116.55 114.32 1rga n ASP 29 Ca 0.04 -0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 1rga n ASP 29 Cb 0.08 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.01 1rga n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rga n GLY 30 N 1.40 -0.01 3.64 0.44 0.00 -0.39 -5.03 105.19 105.23 1rga n GLY 30 Ca 0.10 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1rga n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rga s GLU 31 N -5.41 2.09 0.20 1.61 2.02 -0.38 -5.05 118.70 113.78 1rga s GLU 31 Ca 0.24 -1.75 -0.07 0.00 0.02 0.00 0.00 54.97 53.40 1rga s GLU 31 Cb -0.10 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1rga s GLU 31 CO 0.29 0.12 0.28 0.95 0.02 0.00 0.00 175.26 176.92 1rga s THR 32 N -2.52 0.03 0.03 3.63 -4.23 -1.26 -4.41 115.64 106.91 1rga s THR 32 Ca 0.35 -1.63 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1rga s THR 32 Cb 0.00 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1rga s THR 32 CO 0.20 -0.12 -0.03 0.68 -0.54 0.00 0.00 174.62 174.80 1rga s VAL 33 N -4.05 0.16 0.00 2.29 -7.23 0.90 -4.88 120.40 107.59 1rga s VAL 33 Ca 0.26 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1rga s VAL 33 Cb 0.04 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1rga s VAL 33 CO 0.07 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 1rga n GLY 34 N 1.10 -0.65 0.08 2.32 0.00 -1.26 -0.69 105.19 106.09 1rga n GLY 34 Ca -0.21 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.34 1rga n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rga n SER 35 N -1.08 0.44 -1.30 1.61 3.41 -1.26 -2.13 113.62 113.32 1rga n SER 35 Ca 0.00 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1rga n SER 35 Cb 0.00 -0.69 0.31 0.00 -0.26 0.00 0.00 64.21 63.57 1rga n SER 35 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rga n ASN 36 N -1.96 3.77 -3.33 4.04 5.15 -1.26 -5.00 115.26 116.67 1rga n ASN 36 Ca 0.04 -2.00 -0.17 0.00 -0.60 0.00 0.00 54.58 51.85 1rga n ASN 36 Cb 0.26 -0.46 0.01 0.00 -0.53 0.00 0.00 39.78 39.06 1rga n ASN 36 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1rga n SER 37 N 1.57 -6.49 -4.90 1.20 7.64 -0.90 -4.87 113.62 106.86 1rga n SER 37 Ca 0.23 -0.24 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 1rga n SER 37 Cb 0.60 -3.52 -0.04 0.00 -1.01 0.00 0.00 64.21 60.23 1rga n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rga s TYR 38 N -2.63 3.48 0.57 1.43 2.02 0.14 -3.64 117.35 118.71 1rga s TYR 38 Ca 0.12 0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.89 1rga s TYR 38 Cb -0.02 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1rga s TYR 38 CO 0.82 0.58 1.04 -1.25 -1.57 0.00 0.00 175.55 175.18 1rga s PRO 39 N -2.48 3.47 0.20 -1.71 0.04 -1.26 -0.07 135.00 133.19 1rga s PRO 39 Ca 0.34 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 1rga s PRO 39 Cb -0.13 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1rga s PRO 39 CO 0.27 -0.68 0.15 -3.38 0.04 0.00 0.00 177.00 173.39 1rga s HIS 40 N -2.48 1.08 0.43 0.56 -3.43 -1.05 -4.94 115.29 105.45 1rga s HIS 40 Ca 0.63 -1.32 -0.25 0.00 -0.80 0.00 0.00 55.06 53.32 1rga s HIS 40 Cb -0.15 -0.50 -0.08 0.00 -1.43 0.00 0.00 32.58 30.42 1rga s HIS 40 CO 0.35 -0.66 1.30 0.21 -2.00 0.00 0.00 174.74 173.95 1rga s LYS 41 N -4.14 3.84 -0.26 -0.38 2.20 -1.26 -0.36 119.74 119.38 1rga s LYS 41 Ca 0.37 2.14 -0.05 0.00 -0.36 0.00 0.00 55.97 58.07 1rga s LYS 41 Cb 0.06 -2.66 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 1rga s LYS 41 CO 0.11 -0.60 0.01 -0.47 -0.36 0.00 0.00 175.35 174.04 1rga s TYR 42 N -1.29 3.08 -0.63 4.03 5.04 0.36 -4.68 117.35 123.24 1rga s TYR 42 Ca 0.59 -1.11 0.26 0.00 -2.44 0.00 0.00 57.07 54.37 1rga s TYR 42 Cb -0.38 -2.16 0.84 0.00 0.35 0.00 0.00 41.96 40.61 1rga s TYR 42 CO 0.48 -0.60 1.76 -0.91 -1.34 0.00 0.00 175.55 174.93 1rga h ASN 43 N 8.14 0.00 -4.10 4.32 4.21 -1.94 -3.37 115.58 122.83 1rga h ASN 43 Ca -0.34 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 56.93 1rga h ASN 43 Cb 1.13 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 38.42 1rga h ASN 43 CO 0.59 0.00 -0.44 -3.20 -1.29 0.00 0.00 177.43 173.09 1rga n ASN 44 N -2.33 -3.99 0.16 5.81 5.15 -1.26 -4.90 115.26 113.90 1rga n ASN 44 Ca 0.05 -0.35 0.04 0.00 -0.60 0.00 0.00 54.58 53.72 1rga n ASN 44 Cb 0.39 -3.35 0.47 0.00 -0.53 0.00 0.00 39.78 36.76 1rga n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1rga h TYR 45 N -1.56 0.17 0.00 1.20 0.05 -2.00 -1.65 116.97 113.19 1rga h TYR 45 Ca -0.36 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.37 1rga h TYR 45 Cb 1.23 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1rga h TYR 45 CO 0.30 0.24 -0.17 0.93 -1.05 0.00 0.00 178.16 178.41 1rga h GLU 46 N 0.17 0.00 -1.62 4.88 3.07 -1.94 -3.47 114.58 115.67 1rga h GLU 46 Ca 0.04 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1rga h GLU 46 Cb 0.22 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1rga h GLU 46 CO 0.01 0.17 -0.14 0.41 -1.40 0.00 0.00 179.01 178.07 1rga n GLY 47 N -0.29 0.50 3.74 -3.84 0.00 -0.62 -5.01 105.19 99.67 1rga n GLY 47 Ca -0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1rga n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rga s PHE 48 N -2.81 2.21 -1.22 1.61 0.08 -1.26 -4.90 117.98 111.69 1rga s PHE 48 Ca 0.09 1.53 -0.07 0.00 0.12 0.00 0.00 56.93 58.60 1rga s PHE 48 Cb -0.04 -3.55 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 1rga s PHE 48 CO 0.11 -2.54 2.69 -0.40 -0.10 0.00 0.00 175.22 174.98 1rga n ASP 49 N -1.99 7.89 -4.77 1.36 5.68 -1.26 -5.00 116.55 118.46 1rga n ASP 49 Ca 0.14 -2.94 -0.40 0.00 -0.50 0.00 0.00 54.79 51.09 1rga n ASP 49 Cb 0.49 -1.41 -0.01 0.00 -1.14 0.00 0.00 41.12 39.05 1rga n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1rga s PHE 50 N -0.11 2.94 -2.35 2.11 0.08 -1.26 -4.91 117.98 114.48 1rga s PHE 50 Ca 0.60 1.42 0.21 0.00 0.12 0.00 0.00 56.93 59.28 1rga s PHE 50 Cb 0.22 -3.66 0.54 0.00 -0.57 0.00 0.00 43.02 39.55 1rga s PHE 50 CO -0.09 -1.94 1.45 -1.13 -0.10 0.00 0.00 175.22 173.41 1rga n SER 51 N 0.46 2.73 -4.49 1.36 3.41 -1.26 -4.90 113.62 110.92 1rga n SER 51 Ca 0.02 -1.90 -0.25 0.00 -0.26 0.00 0.00 58.87 56.48 1rga n SER 51 Cb 0.43 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1rga n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rga s VAL 52 N -1.58 2.66 0.59 -3.33 -7.23 -1.26 -5.12 120.40 105.13 1rga s VAL 52 Ca 0.36 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1rga s VAL 52 Cb 0.20 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1rga s VAL 52 CO 0.29 -0.24 0.95 -0.94 -0.31 0.00 0.00 175.10 174.85 1rga s SER 53 N -3.08 6.04 0.79 4.85 1.04 -1.26 -5.03 113.70 117.05 1rga s SER 53 Ca 0.26 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.71 1rga s SER 53 Cb -0.07 -2.22 0.07 0.00 0.10 0.00 0.00 66.02 63.89 1rga s SER 53 CO 0.14 -0.87 1.09 -0.55 0.98 0.00 0.00 173.24 174.02 1rga s SER 54 N -4.20 4.45 0.60 7.02 0.15 -1.26 -4.69 113.70 115.77 1rga s SER 54 Ca 0.53 1.60 -0.16 0.00 0.70 0.00 0.00 55.95 58.62 1rga s SER 54 Cb -0.11 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1rga s SER 54 CO 0.50 -2.04 1.07 -2.16 1.20 0.00 0.00 173.24 171.81 1rga s PRO 55 N -4.99 3.25 0.17 5.44 0.04 -1.26 -4.88 135.00 132.77 1rga s PRO 55 Ca 0.61 1.25 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1rga s PRO 55 Cb -0.16 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1rga s PRO 55 CO 0.56 -0.87 -0.12 0.71 0.04 0.00 0.00 177.00 177.32 1rga s TYR 56 N -2.40 2.60 0.03 0.56 2.02 -1.26 -3.22 117.35 115.68 1rga s TYR 56 Ca 0.64 -0.23 0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1rga s TYR 56 Cb -0.17 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 1rga s TYR 56 CO 0.37 0.49 -0.12 0.71 -1.57 0.00 0.00 175.55 175.43 1rga s TYR 57 N -1.61 1.05 0.03 2.71 2.02 0.13 -0.49 117.35 121.19 1rga s TYR 57 Ca 0.23 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1rga s TYR 57 Cb -0.09 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 1rga s TYR 57 CO 0.14 0.01 -0.17 -1.83 -1.57 0.00 0.00 175.55 172.12 1rga s GLU 58 N -0.99 2.13 -0.06 -0.62 -1.05 0.52 -0.96 118.70 117.66 1rga s GLU 58 Ca 0.00 -0.95 -0.04 0.00 -0.15 0.00 0.00 54.97 53.84 1rga s GLU 58 Cb -0.07 -2.21 0.03 0.00 -0.44 0.00 0.00 34.13 31.43 1rga s GLU 58 CO 0.01 0.55 0.15 -0.46 0.95 0.00 0.00 175.26 176.45 1rga s TRP 59 N -0.91 -0.16 0.38 4.83 -0.11 -0.30 -2.53 118.94 120.13 1rga s TRP 59 Ca 0.14 0.45 -0.26 0.00 1.22 0.00 0.00 56.10 57.65 1rga s TRP 59 Cb -0.11 -0.03 -0.09 0.00 -1.50 0.00 0.00 33.47 31.75 1rga s TRP 59 CO 0.05 -0.13 1.22 -2.14 -4.62 0.00 0.00 176.95 171.32 1rga s PRO 60 N 0.77 4.14 -0.08 5.86 0.02 -1.26 0.69 135.00 145.14 1rga s PRO 60 Ca -0.06 1.98 0.04 0.00 0.02 0.00 0.00 61.00 62.98 1rga s PRO 60 Cb -0.08 -2.81 -0.01 0.00 0.02 0.00 0.00 34.50 31.62 1rga s PRO 60 CO -0.04 -0.29 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.63 1rga s ILE 61 N -1.30 2.41 -0.06 2.83 2.07 -0.85 -4.56 121.20 121.73 1rga s ILE 61 Ca 0.54 -0.93 -0.02 0.00 -1.41 0.00 0.00 60.65 58.84 1rga s ILE 61 Cb -0.34 -1.92 -0.04 0.00 0.13 0.00 0.00 42.46 40.29 1rga s ILE 61 CO 0.44 0.56 0.04 -0.76 -1.91 0.00 0.00 174.94 173.31 1rga s LEU 62 N -0.09 3.75 0.35 8.50 1.43 -1.26 -4.31 118.68 127.07 1rga s LEU 62 Ca -0.05 0.17 0.27 0.00 -1.03 0.00 0.00 54.13 53.49 1rga s LEU 62 Cb -0.14 -1.99 1.08 0.00 0.03 0.00 0.00 46.19 45.17 1rga s LEU 62 CO 0.04 0.34 1.80 0.77 0.23 0.00 0.00 176.35 179.54 1rga h SER 63 N 4.76 0.00 0.75 2.29 4.64 -1.95 -2.22 113.55 121.83 1rga h SER 63 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1rga h SER 63 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1rga h SER 63 CO 0.57 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 1rga n SER 64 N -2.54 0.55 0.00 4.97 3.41 -1.26 -4.85 113.62 113.90 1rga n SER 64 Ca 0.02 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1rga n SER 64 Cb 0.28 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1rga n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rga n GLY 65 N 0.14 1.02 3.88 5.00 0.00 -0.83 -5.04 105.19 109.36 1rga n GLY 65 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1rga n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rga s ASP 66 N -3.05 6.32 0.13 1.61 1.01 -1.26 -5.01 116.67 116.42 1rga s ASP 66 Ca 0.00 1.24 -0.24 0.00 0.71 0.00 0.00 52.55 54.26 1rga s ASP 66 Cb 0.00 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.47 1rga s ASP 66 CO 0.00 -0.69 0.74 -0.69 0.21 0.00 0.00 175.17 174.74 1rga s VAL 67 N -2.88 4.48 0.24 -1.27 1.01 -1.26 -4.36 120.40 116.35 1rga s VAL 67 Ca 0.52 1.62 -0.31 0.00 0.00 0.00 0.00 61.98 63.81 1rga s VAL 67 Cb -0.11 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1rga s VAL 67 CO 0.46 0.51 1.69 -0.47 0.00 0.00 0.00 175.10 177.29 1rga s TYR 68 N -0.99 2.85 -0.01 5.22 5.04 -1.26 -4.89 117.35 123.30 1rga s TYR 68 Ca 0.35 0.46 0.02 0.00 -2.44 0.00 0.00 57.07 55.46 1rga s TYR 68 Cb -0.22 -4.13 0.03 0.00 0.35 0.00 0.00 41.96 37.98 1rga s TYR 68 CO 0.25 -4.15 0.78 -1.13 -1.34 0.00 0.00 175.55 169.95 1rga n SER 69 N 3.43 0.74 0.00 4.32 3.41 -1.26 -5.07 113.62 119.19 1rga n SER 69 Ca 0.14 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1rga n SER 69 Cb 0.36 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1rga n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rga n GLY 70 N -0.27 2.41 5.53 5.00 0.00 -1.26 -4.67 105.19 111.93 1rga n GLY 70 Ca 0.02 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1rga n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rga n GLY 71 N -1.07 -1.83 3.70 -0.02 0.00 -1.26 -4.82 105.19 99.90 1rga n GLY 71 Ca 0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1rga n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rga s SER 72 N -4.00 6.44 0.00 1.61 0.15 -1.26 -4.80 113.70 111.84 1rga s SER 72 Ca 0.00 2.75 0.29 0.00 0.70 0.00 0.00 55.95 59.69 1rga s SER 72 Cb 0.00 -2.58 1.32 0.00 -1.71 0.00 0.00 66.02 63.05 1rga s SER 72 CO 0.00 -0.97 1.91 -0.81 1.20 0.00 0.00 173.24 174.57 1rga n PRO 73 N 5.04 0.83 0.00 5.44 -0.04 -1.26 -5.04 135.00 139.96 1rga n PRO 73 Ca 0.17 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1rga n PRO 73 Cb 0.38 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1rga n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rga n GLY 74 N 1.23 -1.26 0.00 0.55 0.00 -1.26 -4.28 105.19 100.17 1rga n GLY 74 Ca 0.16 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 45.08 1rga n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rga n ALA 75 N 0.65 4.23 -2.85 4.61 0.00 -1.26 -4.98 120.51 120.92 1rga n ALA 75 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 1rga n ALA 75 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1rga n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rga s ASP 76 N -3.22 5.91 0.03 0.00 1.01 -1.26 -0.75 116.67 118.39 1rga s ASP 76 Ca 0.07 0.09 -0.08 0.00 0.71 0.00 0.00 52.55 53.34 1rga s ASP 76 Cb 0.16 -1.69 -0.00 0.00 1.01 0.00 0.00 42.92 42.40 1rga s ASP 76 CO 0.83 0.14 0.16 -0.13 0.21 0.00 0.00 175.17 176.38 1rga s ARG 77 N -2.63 0.63 0.02 8.23 1.81 0.93 -2.02 118.95 125.92 1rga s ARG 77 Ca 0.32 -0.62 -0.00 0.00 -1.72 0.00 0.00 55.73 53.70 1rga s ARG 77 Cb -0.12 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 1rga s ARG 77 CO 0.25 -0.17 0.12 0.14 -0.68 0.00 0.00 175.30 174.96 1rga s VAL 78 N -2.39 4.96 -0.18 3.52 -7.23 0.22 -1.20 120.40 118.09 1rga s VAL 78 Ca -0.07 -0.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1rga s VAL 78 Cb -0.02 -3.32 0.03 0.00 0.56 0.00 0.00 36.38 33.63 1rga s VAL 78 CO -0.03 0.28 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.19 1rga s VAL 79 N -1.30 1.89 0.29 1.32 1.01 -0.05 -1.15 120.40 122.41 1rga s VAL 79 Ca 0.27 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1rga s VAL 79 Cb -0.12 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1rga s VAL 79 CO 0.18 0.41 -0.07 0.72 0.00 0.00 0.00 175.10 176.34 1rga s PHE 80 N 1.34 2.03 0.00 5.22 -0.12 -0.14 0.07 117.98 126.38 1rga s PHE 80 Ca 0.03 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1rga s PHE 80 Cb -0.14 -1.15 0.00 0.00 -0.63 0.00 0.00 43.02 41.10 1rga s PHE 80 CO -0.11 0.34 0.00 0.27 -0.05 0.00 0.00 175.22 175.67 1rga n ASN 81 N -0.62 0.94 0.27 1.98 6.94 -0.50 0.18 115.26 124.44 1rga n ASN 81 Ca -0.05 -0.71 0.11 0.00 -0.02 0.00 0.00 54.58 53.90 1rga n ASN 81 Cb 0.63 0.00 0.72 0.00 -2.36 0.00 0.00 39.78 38.78 1rga n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1rga h GLU 82 N 0.00 0.00 -0.54 -3.83 4.57 -1.82 -0.77 114.58 112.19 1rga h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1rga h GLU 82 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1rga h GLU 82 CO 0.00 0.04 0.00 0.09 -1.18 0.00 0.00 179.01 177.96 1rga n ASN 83 N -4.16 2.91 -2.48 1.04 5.03 -1.26 -4.91 115.26 111.42 1rga n ASN 83 Ca -0.03 -2.14 -0.19 0.00 0.87 0.00 0.00 54.58 53.09 1rga n ASN 83 Cb 0.13 -0.39 0.02 0.00 -1.02 0.00 0.00 39.78 38.52 1rga n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1rga n ASN 84 N 0.79 -5.50 -4.83 6.41 4.05 -0.29 -4.98 115.26 110.91 1rga n ASN 84 Ca 0.17 -0.18 -0.37 0.00 0.45 0.00 0.00 54.58 54.65 1rga n ASN 84 Cb 0.51 -4.41 -0.06 0.00 1.23 0.00 0.00 39.78 37.04 1rga n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1rga s GLN 85 N -5.35 3.80 0.08 1.20 -0.21 -1.26 -4.87 119.66 113.05 1rga s GLN 85 Ca 0.18 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.35 1rga s GLN 85 Cb -0.08 -3.26 -0.06 0.00 1.00 0.00 0.00 33.01 30.62 1rga s GLN 85 CO 0.22 0.62 1.16 -1.17 -2.12 0.00 0.00 175.29 174.01 1rga s LEU 86 N -0.69 4.39 -0.16 2.90 2.96 -1.26 -1.41 118.68 125.40 1rga s LEU 86 Ca 0.18 2.00 -0.12 0.00 -0.22 0.00 0.00 54.13 55.97 1rga s LEU 86 Cb -0.14 -3.58 -0.23 0.00 0.50 0.00 0.00 46.19 42.74 1rga s LEU 86 CO 0.07 -0.41 0.26 0.00 -1.32 0.00 0.00 176.35 174.95 1rga n ALA 87 N 3.64 0.88 0.00 5.97 0.00 0.11 -4.85 120.51 126.27 1rga n ALA 87 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1rga n ALA 87 Cb 0.47 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1rga n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rga n GLY 88 N 1.77 -1.66 2.99 0.00 0.00 -1.10 -4.61 105.19 102.59 1rga n GLY 88 Ca -0.33 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 1rga n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rga s VAL 89 N -2.37 1.18 0.22 1.61 1.01 -1.26 -0.87 120.40 119.93 1rga s VAL 89 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1rga s VAL 89 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1rga s VAL 89 CO 0.00 0.38 0.07 0.27 0.00 0.00 0.00 175.10 175.82 1rga s ILE 90 N 1.11 0.52 0.09 2.22 -4.36 -0.34 -0.63 121.20 119.80 1rga s ILE 90 Ca -0.06 -1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 58.21 1rga s ILE 90 Cb -0.14 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1rga s ILE 90 CO -0.02 -0.17 0.31 0.28 0.24 0.00 0.00 174.94 175.58 1rga s THR 91 N -3.78 0.10 -0.76 8.37 -1.32 0.11 -0.05 115.64 118.31 1rga s THR 91 Ca 0.33 -0.79 0.26 0.00 -1.21 0.00 0.00 61.69 60.28 1rga s THR 91 Cb 0.07 -1.14 0.17 0.00 -1.51 0.00 0.00 72.50 70.09 1rga s THR 91 CO 0.10 -0.43 1.61 1.41 -2.21 0.00 0.00 174.62 175.09 1rga n HIS 92 N 0.09 0.60 -2.04 9.09 8.25 0.07 -0.75 115.22 130.53 1rga n HIS 92 Ca -0.17 0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1rga n HIS 92 Cb 0.62 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 1rga n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1rga s THR 93 N -3.10 2.84 -0.07 1.59 2.01 -1.26 -2.06 115.64 115.59 1rga s THR 93 Ca 0.10 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.74 1rga s THR 93 Cb 0.14 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1rga s THR 93 CO 0.64 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 1rga n GLY 94 N 3.06 0.48 3.29 4.40 0.00 -1.26 -4.74 105.19 110.42 1rga n GLY 94 Ca 0.10 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1rga n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rga s ALA 95 N -1.96 2.02 0.48 4.61 0.00 -0.88 -4.93 121.76 121.12 1rga s ALA 95 Ca 0.00 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 1rga s ALA 95 Cb 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 1rga s ALA 95 CO 0.00 0.49 1.01 -1.54 0.00 0.00 0.00 175.76 175.72 1rga s SER 96 N -0.79 6.47 1.16 0.00 1.04 -1.26 -4.72 113.70 115.59 1rga s SER 96 Ca 0.10 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.36 1rga s SER 96 Cb -0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1rga s SER 96 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1rga n GLY 97 N -0.51 3.07 1.71 7.32 0.00 -1.26 -1.60 105.19 113.91 1rga n GLY 97 Ca 0.08 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1rga n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rga n ASN 98 N 2.82 5.13 -4.81 1.61 3.02 -1.26 -4.95 115.26 116.82 1rga n ASN 98 Ca 0.00 -2.76 -0.29 0.00 -0.03 0.00 0.00 54.58 51.50 1rga n ASN 98 Cb 0.00 -0.65 0.12 0.00 -0.61 0.00 0.00 39.78 38.64 1rga n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rga s ASN 99 N -0.72 3.77 0.22 6.41 0.01 -0.63 -5.01 114.94 118.98 1rga s ASN 99 Ca 0.49 0.96 0.08 0.00 -0.71 0.00 0.00 52.86 53.68 1rga s ASN 99 Cb 0.36 -1.53 -0.05 0.00 0.41 0.00 0.00 41.25 40.44 1rga s ASN 99 CO 0.16 -2.39 -0.15 -0.36 -1.51 0.00 0.00 177.10 172.85 1rga s PHE 100 N -3.32 1.81 0.15 2.20 0.08 -1.26 -4.33 117.98 113.31 1rga s PHE 100 Ca 0.63 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.19 1rga s PHE 100 Cb -0.14 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 1rga s PHE 100 CO 0.53 0.42 -0.09 0.14 -0.10 0.00 0.00 175.22 176.11 1rga s VAL 101 N -2.90 1.13 0.45 -0.44 -7.23 0.07 -4.94 120.40 106.55 1rga s VAL 101 Ca 0.24 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.19 1rga s VAL 101 Cb -0.01 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 1rga s VAL 101 CO 0.08 -0.73 0.91 -1.61 -0.31 0.00 0.00 175.10 173.45 1rga s GLU 102 N -3.76 4.01 0.41 4.82 2.02 -1.26 0.04 118.70 124.96 1rga s GLU 102 Ca 0.17 0.89 -0.24 0.00 0.02 0.00 0.00 54.97 55.81 1rga s GLU 102 Cb 0.03 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 1rga s GLU 102 CO 0.01 -0.12 1.07 0.00 0.02 0.00 0.00 175.26 176.24