#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgc h ASP 3 N 4.14 0.40 -3.61 0.00 3.32 -1.37 -3.44 116.42 115.85 1rgc h ASP 3 Ca -0.47 -0.38 -0.41 0.00 0.02 0.00 0.00 57.03 55.78 1rgc h ASP 3 Cb 1.20 -0.13 -0.32 0.00 0.22 0.00 0.00 39.33 40.30 1rgc h ASP 3 CO 0.66 1.25 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.34 1rgc s TYR 4 N -2.89 0.81 -0.24 4.55 2.02 -0.65 -4.92 117.35 116.03 1rgc s TYR 4 Ca -0.04 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1rgc s TYR 4 Cb 0.08 -0.65 0.05 0.00 -0.40 0.00 0.00 41.96 41.05 1rgc s TYR 4 CO 0.87 -0.15 -0.12 0.99 -1.57 0.00 0.00 175.55 175.57 1rgc s THR 5 N 0.56 2.09 -0.50 -0.71 2.01 -1.26 -0.62 115.64 117.21 1rgc s THR 5 Ca -0.08 -1.45 -0.07 0.00 0.31 0.00 0.00 61.69 60.40 1rgc s THR 5 Cb -0.12 -2.14 0.13 0.00 0.01 0.00 0.00 72.50 70.38 1rgc s THR 5 CO 0.01 0.09 0.35 0.00 -0.69 0.00 0.00 174.62 174.38 1rgc n GLY 7 N 4.58 1.92 0.00 0.00 0.00 -1.26 -0.62 105.19 109.81 1rgc n GLY 7 Ca -0.03 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1rgc n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgc n SER 8 N 10.92 0.61 -4.72 1.61 7.64 -1.26 -4.95 113.62 123.47 1rgc n SER 8 Ca 0.00 -0.60 -0.42 0.00 1.01 0.00 0.00 58.87 58.86 1rgc n SER 8 Cb 0.00 1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 64.55 1rgc n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1rgc s ASN 9 N -3.60 7.35 -0.25 6.43 0.01 0.21 -5.04 114.94 120.04 1rgc s ASN 9 Ca 0.02 1.82 -0.07 0.00 -0.71 0.00 0.00 52.86 53.92 1rgc s ASN 9 Cb 0.15 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 1rgc s ASN 9 CO 0.88 -0.23 0.06 0.00 -1.51 0.00 0.00 177.10 176.31 1rgc s TYR 11 N 1.58 1.86 0.32 0.00 2.02 0.21 -5.01 117.35 118.34 1rgc s TYR 11 Ca 0.06 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.44 1rgc s TYR 11 Cb -0.15 -1.12 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1rgc s TYR 11 CO 0.03 0.08 0.46 -1.54 -1.57 0.00 0.00 175.55 173.01 1rgc s SER 12 N -1.12 6.03 0.36 2.29 1.04 -1.26 -0.91 113.70 120.13 1rgc s SER 12 Ca 0.08 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.46 1rgc s SER 12 Cb -0.09 -1.36 0.75 0.00 0.10 0.00 0.00 66.02 65.42 1rgc s SER 12 CO 0.02 -0.38 1.95 0.28 0.98 0.00 0.00 173.24 176.09 1rgc h SER 13 N 0.91 0.66 -0.20 7.02 0.02 -1.97 -1.03 113.55 118.96 1rgc h SER 13 Ca -0.47 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 1rgc h SER 13 Cb 1.25 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1rgc h SER 13 CO 0.54 0.42 -0.14 0.77 -1.14 0.00 0.00 176.83 177.29 1rgc h SER 14 N 0.75 0.59 -0.44 3.07 4.64 -1.99 0.24 113.55 120.41 1rgc h SER 14 Ca 0.32 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1rgc h SER 14 Cb 0.28 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1rgc h SER 14 CO -0.11 0.75 0.16 0.44 -0.87 0.00 0.00 176.83 177.20 1rgc h ASP 15 N 0.54 0.62 -0.64 4.97 3.32 -1.60 -1.64 116.42 121.98 1rgc h ASP 15 Ca 0.09 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1rgc h ASP 15 Cb 0.56 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1rgc h ASP 15 CO 0.04 0.64 0.10 0.58 -1.72 0.00 0.00 179.24 178.87 1rgc h VAL 16 N 0.56 1.26 0.00 -1.35 2.07 -0.76 -2.51 116.25 115.52 1rgc h VAL 16 Ca 0.14 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1rgc h VAL 16 Cb 0.23 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1rgc h VAL 16 CO -0.01 0.38 -0.40 0.77 0.02 0.00 0.00 177.57 178.33 1rgc h SER 17 N 0.98 0.00 -0.12 0.57 4.64 -0.34 -1.57 113.55 117.71 1rgc h SER 17 Ca 0.19 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1rgc h SER 17 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1rgc h SER 17 CO 0.01 0.40 -0.09 0.74 -0.87 0.00 0.00 176.83 177.02 1rgc h THR 18 N 0.00 1.34 -0.25 2.95 2.02 -1.14 -1.30 112.91 116.53 1rgc h THR 18 Ca -0.00 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1rgc h THR 18 Cb 0.88 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1rgc h THR 18 CO 0.05 0.35 0.15 0.00 0.37 0.00 0.00 175.52 176.44 1rgc h ALA 19 N 0.62 0.32 -0.59 6.16 0.00 -1.35 -2.66 119.26 121.75 1rgc h ALA 19 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1rgc h ALA 19 Cb 0.59 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1rgc h ALA 19 CO 0.02 -0.17 0.26 0.37 0.00 0.00 0.00 179.25 179.74 1rgc h GLN 20 N 0.31 0.47 -0.86 0.00 4.15 -1.25 -0.86 115.11 117.08 1rgc h GLN 20 Ca 0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1rgc h GLN 20 Cb 0.03 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1rgc h GLN 20 CO -0.02 0.31 0.47 0.00 -1.93 0.00 0.00 178.83 177.67 1rgc h ALA 21 N 1.36 1.21 -0.22 3.38 0.00 -0.94 0.38 119.26 124.43 1rgc h ALA 21 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1rgc h ALA 21 Cb 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rgc h ALA 21 CO -0.23 0.64 0.09 0.00 0.00 0.00 0.00 179.25 179.74 1rgc h ALA 22 N 1.32 0.29 -0.32 0.00 0.00 -0.97 -1.85 119.26 117.72 1rgc h ALA 22 Ca 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rgc h ALA 22 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rgc h ALA 22 CO -0.05 -0.13 0.20 0.78 0.00 0.00 0.00 179.25 180.05 1rgc h GLY 23 N 0.21 0.47 0.99 0.00 0.00 -0.90 -2.74 103.07 101.09 1rgc h GLY 23 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1rgc h GLY 23 CO -0.01 0.19 0.27 -1.82 0.00 0.00 0.00 176.54 175.17 1rgc h TYR 24 N 0.42 0.58 -0.50 5.60 3.20 -0.78 -1.81 116.97 123.67 1rgc h TYR 24 Ca 0.12 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1rgc h TYR 24 Cb 0.01 -0.19 -0.09 0.00 1.54 0.00 0.00 36.73 37.99 1rgc h TYR 24 CO -0.04 0.40 -0.11 -0.22 -1.64 0.00 0.00 178.16 176.54 1rgc h LYS 25 N 0.59 0.01 -0.74 1.82 1.63 -1.24 0.17 116.57 118.81 1rgc h LYS 25 Ca 0.16 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1rgc h LYS 25 Cb -0.02 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1rgc h LYS 25 CO -0.03 0.01 0.21 -0.07 -3.45 0.00 0.00 179.45 176.12 1rgc h LEU 26 N 0.01 1.09 -0.31 5.20 3.38 -1.21 -2.31 115.31 121.16 1rgc h LEU 26 Ca 0.24 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1rgc h LEU 26 Cb 0.37 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1rgc h LEU 26 CO -0.51 1.03 0.16 -0.74 0.09 0.00 0.00 178.44 178.46 1rgc h HIS 27 N 1.11 0.29 0.00 1.13 2.76 -0.37 -1.32 115.15 118.75 1rgc h HIS 27 Ca 0.24 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1rgc h HIS 27 Cb 0.34 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 1rgc h HIS 27 CO 0.03 0.16 -0.03 1.05 -1.30 0.00 0.00 177.93 177.83 1rgc h GLU 28 N 0.33 0.00 -0.18 5.26 4.11 -0.38 -1.66 114.58 122.06 1rgc h GLU 28 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1rgc h GLU 28 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rgc h GLU 28 CO -0.09 0.03 0.00 -0.25 0.07 0.00 0.00 179.01 178.77 1rgc n ASP 29 N -3.56 2.33 -2.02 3.06 8.00 -0.67 -4.91 116.55 118.78 1rgc n ASP 29 Ca -0.02 -1.79 -0.19 0.00 0.71 0.00 0.00 54.79 53.49 1rgc n ASP 29 Cb 0.13 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1rgc n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rgc n GLY 30 N 1.27 -0.02 3.75 0.44 0.00 -0.62 -4.98 105.19 105.02 1rgc n GLY 30 Ca 0.17 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1rgc n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rgc s GLU 31 N -4.71 2.69 0.05 1.61 2.56 -0.59 -5.05 118.70 115.27 1rgc s GLU 31 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 54.97 53.95 1rgc s GLU 31 Cb 0.00 -2.50 -0.03 0.00 2.00 0.00 0.00 34.13 33.60 1rgc s GLU 31 CO 0.00 0.45 -0.04 0.99 -0.56 0.00 0.00 175.26 176.11 1rgc s THR 32 N -1.85 0.25 0.01 -1.70 2.01 -1.26 -4.35 115.64 108.75 1rgc s THR 32 Ca 0.30 -1.57 -0.06 0.00 0.31 0.00 0.00 61.69 60.67 1rgc s THR 32 Cb -0.09 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1rgc s THR 32 CO 0.22 -0.84 0.10 0.54 -0.69 0.00 0.00 174.62 173.95 1rgc s VAL 33 N -3.18 0.09 0.00 3.82 0.11 0.65 -4.89 120.40 117.00 1rgc s VAL 33 Ca 0.01 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1rgc s VAL 33 Cb 0.03 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1rgc s VAL 33 CO -0.07 -0.43 0.00 0.61 -3.33 0.00 0.00 175.10 171.89 1rgc n GLY 34 N 1.40 -0.23 0.23 6.54 0.00 -1.26 -0.62 105.19 111.26 1rgc n GLY 34 Ca -0.23 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.15 1rgc n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rgc h SER 35 N 0.00 0.00 -0.35 1.61 0.02 -1.86 -2.30 113.55 110.68 1rgc h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rgc h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rgc h SER 35 CO 0.00 0.19 0.00 0.59 -1.14 0.00 0.00 176.83 176.47 1rgc n ASN 36 N -4.00 2.60 -3.24 3.07 5.03 -1.26 -5.01 115.26 112.45 1rgc n ASN 36 Ca -0.02 -1.90 -0.20 0.00 0.87 0.00 0.00 54.58 53.33 1rgc n ASN 36 Cb 0.27 -0.23 0.02 0.00 -1.02 0.00 0.00 39.78 38.82 1rgc n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1rgc n SER 37 N 0.93 -6.66 -4.78 6.41 7.64 -0.87 -4.95 113.62 111.34 1rgc n SER 37 Ca 0.18 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.73 1rgc n SER 37 Cb 0.45 -3.58 -0.07 0.00 -1.01 0.00 0.00 64.21 60.00 1rgc n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rgc s TYR 38 N -2.32 3.27 0.57 1.43 2.02 0.21 -4.02 117.35 118.51 1rgc s TYR 38 Ca 0.23 0.19 -0.08 0.00 -0.37 0.00 0.00 57.07 57.03 1rgc s TYR 38 Cb -0.04 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1rgc s TYR 38 CO 0.82 0.54 0.93 -1.25 -1.57 0.00 0.00 175.55 175.02 1rgc s PRO 39 N -1.77 3.50 0.09 -1.71 0.04 -1.26 -0.26 135.00 133.63 1rgc s PRO 39 Ca 0.23 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 1rgc s PRO 39 Cb -0.12 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 1rgc s PRO 39 CO 0.14 -0.45 0.20 -3.38 0.04 0.00 0.00 177.00 173.55 1rgc s HIS 40 N -3.00 0.14 0.23 0.56 -3.43 -1.08 -4.94 115.29 103.78 1rgc s HIS 40 Ca 0.52 -0.56 -0.29 0.00 -0.80 0.00 0.00 55.06 53.93 1rgc s HIS 40 Cb -0.11 -0.05 -0.16 0.00 -1.43 0.00 0.00 32.58 30.84 1rgc s HIS 40 CO 0.50 -0.55 0.82 1.17 -2.00 0.00 0.00 174.74 174.68 1rgc n LYS 41 N -0.06 0.74 -4.09 -0.38 4.81 -1.26 -0.80 118.16 117.13 1rgc n LYS 41 Ca -0.15 0.26 -0.33 0.00 -0.87 0.00 0.00 58.31 57.22 1rgc n LYS 41 Cb 0.62 -1.49 -0.15 0.00 0.02 0.00 0.00 35.03 34.03 1rgc n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1rgc s TYR 42 N -0.92 3.00 -0.26 5.64 5.04 0.65 -4.67 117.35 125.82 1rgc s TYR 42 Ca 0.63 -1.91 0.27 0.00 -2.44 0.00 0.00 57.07 53.62 1rgc s TYR 42 Cb -0.83 -1.94 0.72 0.00 0.35 0.00 0.00 41.96 40.26 1rgc s TYR 42 CO 0.58 -0.83 1.74 -0.91 -1.34 0.00 0.00 175.55 174.79 1rgc h ASN 43 N 7.88 0.00 -4.66 4.32 -0.26 -1.93 -3.37 115.58 117.55 1rgc h ASN 43 Ca -0.34 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.13 1rgc h ASN 43 Cb 1.10 0.00 0.12 0.00 -1.06 0.00 0.00 38.32 38.47 1rgc h ASN 43 CO 0.56 0.00 -0.54 -3.20 -1.06 0.00 0.00 177.43 173.19 1rgc n ASN 44 N -3.06 -3.49 -0.02 5.81 5.15 -1.26 -4.88 115.26 113.51 1rgc n ASN 44 Ca 0.03 -0.43 0.02 0.00 -0.60 0.00 0.00 54.58 53.60 1rgc n ASN 44 Cb 0.45 -3.90 0.36 0.00 -0.53 0.00 0.00 39.78 36.15 1rgc n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1rgc h TYR 45 N -1.68 0.57 -0.24 1.20 0.05 -2.01 -2.29 116.97 112.57 1rgc h TYR 45 Ca -0.43 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.35 1rgc h TYR 45 Cb 1.26 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 1rgc h TYR 45 CO 0.35 0.43 0.16 0.93 -1.05 0.00 0.00 178.16 178.98 1rgc h GLU 46 N 0.59 0.26 0.00 4.88 3.07 -1.94 -3.47 114.58 117.97 1rgc h GLU 46 Ca 0.15 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1rgc h GLU 46 Cb 0.08 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1rgc h GLU 46 CO -0.02 0.18 0.00 0.41 -1.40 0.00 0.00 179.01 178.18 1rgc n GLY 47 N -1.51 0.47 3.43 -3.84 0.00 -0.86 -5.04 105.19 97.83 1rgc n GLY 47 Ca 0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1rgc n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rgc n PHE 48 N -3.26 -1.21 -2.53 1.61 3.72 -1.26 -4.92 117.46 109.60 1rgc n PHE 48 Ca 0.00 0.30 -0.38 0.00 -0.05 0.00 0.00 57.45 57.32 1rgc n PHE 48 Cb 0.20 -1.85 0.01 0.00 -0.94 0.00 0.00 39.48 36.90 1rgc n PHE 48 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1rgc n ASP 49 N -0.40 6.84 -4.70 4.37 3.85 -1.26 -5.03 116.55 120.22 1rgc n ASP 49 Ca 0.08 -3.72 -0.43 0.00 -0.71 0.00 0.00 54.79 50.01 1rgc n ASP 49 Cb 0.51 -1.02 -0.01 0.00 -1.35 0.00 0.00 41.12 39.25 1rgc n ASP 49 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1rgc n PHE 50 N -0.21 2.38 1.60 2.11 3.72 -1.26 -4.90 117.46 120.91 1rgc n PHE 50 Ca 0.46 0.45 0.10 0.00 -0.05 0.00 0.00 57.45 58.41 1rgc n PHE 50 Cb 0.29 -2.47 0.45 0.00 -0.94 0.00 0.00 39.48 36.81 1rgc n PHE 50 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1rgc n SER 51 N 1.47 0.85 -4.42 4.37 7.64 -1.26 -4.84 113.62 117.43 1rgc n SER 51 Ca 0.08 -1.58 -0.25 0.00 1.01 0.00 0.00 58.87 58.12 1rgc n SER 51 Cb 0.35 -0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 1rgc n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1rgc s VAL 52 N -1.89 2.27 0.31 0.44 -7.23 -1.26 -5.13 120.40 107.91 1rgc s VAL 52 Ca 0.29 -2.10 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1rgc s VAL 52 Cb 0.15 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 1rgc s VAL 52 CO 0.23 -0.23 0.82 -0.94 -0.31 0.00 0.00 175.10 174.67 1rgc s SER 53 N -2.87 7.03 1.09 4.85 1.04 -1.26 -5.06 113.70 118.52 1rgc s SER 53 Ca 0.22 1.53 -0.15 0.00 0.48 0.00 0.00 55.95 58.03 1rgc s SER 53 Cb -0.07 -2.47 0.24 0.00 0.10 0.00 0.00 66.02 63.82 1rgc s SER 53 CO 0.10 -0.12 1.08 -0.94 0.98 0.00 0.00 173.24 174.35 1rgc s SER 54 N -1.89 1.79 0.75 7.02 1.04 -1.26 -4.69 113.70 116.46 1rgc s SER 54 Ca 0.51 1.04 -0.11 0.00 0.48 0.00 0.00 55.95 57.87 1rgc s SER 54 Cb -0.14 -1.59 0.04 0.00 0.10 0.00 0.00 66.02 64.43 1rgc s SER 54 CO 0.19 -3.63 1.08 -2.16 0.98 0.00 0.00 173.24 169.70 1rgc s PRO 55 N -5.04 2.43 0.15 4.02 0.04 -1.26 -4.87 135.00 130.48 1rgc s PRO 55 Ca 0.67 0.97 0.10 0.00 0.04 0.00 0.00 61.00 62.78 1rgc s PRO 55 Cb -0.17 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1rgc s PRO 55 CO 0.58 -1.46 -0.17 0.71 0.04 0.00 0.00 177.00 176.69 1rgc s TYR 56 N -3.00 2.50 0.02 0.56 2.02 -1.26 -3.64 117.35 114.55 1rgc s TYR 56 Ca 0.60 -0.28 0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1rgc s TYR 56 Cb -0.16 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1rgc s TYR 56 CO 0.55 0.44 -0.11 0.71 -1.57 0.00 0.00 175.55 175.58 1rgc s TYR 57 N -1.42 0.95 -0.05 2.71 2.02 0.54 -0.25 117.35 121.85 1rgc s TYR 57 Ca 0.20 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1rgc s TYR 57 Cb -0.09 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 1rgc s TYR 57 CO 0.11 -0.00 -0.07 -1.83 -1.57 0.00 0.00 175.55 172.18 1rgc s GLU 58 N -0.85 2.70 -0.05 -0.62 -1.05 0.02 -1.31 118.70 117.54 1rgc s GLU 58 Ca 0.00 -0.59 -0.03 0.00 -0.15 0.00 0.00 54.97 54.21 1rgc s GLU 58 Cb -0.06 -2.56 0.03 0.00 -0.44 0.00 0.00 34.13 31.09 1rgc s GLU 58 CO 0.00 0.65 0.12 -0.46 0.95 0.00 0.00 175.26 176.53 1rgc s TRP 59 N -0.84 -0.13 0.31 4.83 -0.11 -0.54 -2.64 118.94 119.82 1rgc s TRP 59 Ca 0.13 0.38 -0.29 0.00 1.22 0.00 0.00 56.10 57.54 1rgc s TRP 59 Cb -0.11 -0.05 -0.10 0.00 -1.50 0.00 0.00 33.47 31.71 1rgc s TRP 59 CO 0.02 -0.12 1.35 -2.14 -4.62 0.00 0.00 176.95 171.45 1rgc s PRO 60 N 0.73 4.31 -0.11 5.86 0.02 -1.26 0.52 135.00 145.08 1rgc s PRO 60 Ca -0.06 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.25 1rgc s PRO 60 Cb -0.07 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 1rgc s PRO 60 CO -0.03 -0.28 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.67 1rgc s ILE 61 N -0.81 2.49 -0.10 2.83 2.07 -0.97 -4.51 121.20 122.20 1rgc s ILE 61 Ca 0.52 -0.87 -0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1rgc s ILE 61 Cb -0.41 -1.99 -0.03 0.00 0.13 0.00 0.00 42.46 40.16 1rgc s ILE 61 CO 0.51 0.55 -0.05 -0.76 -1.91 0.00 0.00 174.94 173.28 1rgc s LEU 62 N 0.27 3.25 0.66 8.50 1.43 -1.26 -4.38 118.68 127.14 1rgc s LEU 62 Ca -0.14 -0.04 0.43 0.00 -1.03 0.00 0.00 54.13 53.35 1rgc s LEU 62 Cb -0.17 -1.74 2.35 0.00 0.03 0.00 0.00 46.19 46.66 1rgc s LEU 62 CO 0.07 0.29 2.34 0.77 0.23 0.00 0.00 176.35 180.05 1rgc h SER 63 N 5.80 0.00 1.48 2.29 4.64 -1.96 0.51 113.55 126.30 1rgc h SER 63 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1rgc h SER 63 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1rgc h SER 63 CO 0.56 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.29 1rgc h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.46 113.55 117.69 1rgc h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rgc h SER 64 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1rgc h SER 64 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rgc n GLY 65 N 0.55 0.80 3.89 -0.77 0.00 0.17 -5.04 105.19 104.79 1rgc n GLY 65 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1rgc n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rgc s ASP 66 N -2.97 5.51 -0.03 1.61 1.01 -1.26 -5.00 116.67 115.54 1rgc s ASP 66 Ca 0.00 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.13 1rgc s ASP 66 Cb 0.00 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 1rgc s ASP 66 CO 0.00 -1.25 0.43 -0.69 0.21 0.00 0.00 175.17 173.87 1rgc s VAL 67 N -3.25 5.06 0.19 -1.27 1.01 -1.26 -4.33 120.40 116.54 1rgc s VAL 67 Ca 0.57 0.88 -0.33 0.00 0.00 0.00 0.00 61.98 63.10 1rgc s VAL 67 Cb -0.11 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.38 1rgc s VAL 67 CO 0.50 0.50 1.52 0.00 0.00 0.00 0.00 175.10 177.62 1rgc n TYR 68 N 2.40 2.25 -0.56 5.22 9.36 -1.26 -4.90 117.16 129.65 1rgc n TYR 68 Ca -0.12 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1rgc n TYR 68 Cb 0.52 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 1rgc n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1rgc n SER 69 N 2.98 0.82 0.00 2.98 3.41 -1.26 -5.03 113.62 117.52 1rgc n SER 69 Ca 0.15 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1rgc n SER 69 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1rgc n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgc n GLY 70 N -0.19 0.95 0.00 5.00 0.00 -1.26 -4.76 105.19 104.93 1rgc n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rgc n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgc n GLY 71 N 0.00 1.15 3.72 -0.02 0.00 -1.26 -4.18 105.19 104.60 1rgc n GLY 71 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1rgc n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rgc s SER 72 N -1.00 6.95 0.03 1.61 0.15 -1.26 -4.75 113.70 115.43 1rgc s SER 72 Ca 0.00 2.26 0.26 0.00 0.70 0.00 0.00 55.95 59.17 1rgc s SER 72 Cb 0.00 -2.59 0.76 0.00 -1.71 0.00 0.00 66.02 62.48 1rgc s SER 72 CO 0.00 -0.53 1.61 -0.81 1.20 0.00 0.00 173.24 174.71 1rgc n PRO 73 N 3.32 0.05 0.00 5.44 -0.04 -1.26 -5.02 135.00 137.49 1rgc n PRO 73 Ca 0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1rgc n PRO 73 Cb 0.44 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1rgc n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rgc n GLY 74 N 1.47 -0.93 0.20 0.55 0.00 -1.26 -4.41 105.19 100.81 1rgc n GLY 74 Ca 0.06 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 45.00 1rgc n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgc n ALA 75 N 1.08 3.49 -2.87 4.61 0.00 -1.26 -5.00 120.51 120.56 1rgc n ALA 75 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 1rgc n ALA 75 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1rgc n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgc s ASP 76 N -2.09 6.40 -0.01 0.00 1.01 -1.26 -1.77 116.67 118.94 1rgc s ASP 76 Ca 0.10 0.39 -0.04 0.00 0.71 0.00 0.00 52.55 53.71 1rgc s ASP 76 Cb 0.12 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1rgc s ASP 76 CO 0.49 0.25 0.08 -0.13 0.21 0.00 0.00 175.17 176.07 1rgc s ARG 77 N -1.94 0.26 -0.08 8.23 1.81 -0.26 -2.30 118.95 124.68 1rgc s ARG 77 Ca 0.28 -0.19 -0.08 0.00 -1.72 0.00 0.00 55.73 54.01 1rgc s ARG 77 Cb -0.13 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 1rgc s ARG 77 CO 0.19 -0.05 0.20 0.54 -0.68 0.00 0.00 175.30 175.49 1rgc s VAL 78 N -0.71 5.41 -0.14 3.52 0.11 0.18 -1.65 120.40 127.11 1rgc s VAL 78 Ca -0.08 0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 1rgc s VAL 78 Cb -0.05 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1rgc s VAL 78 CO 0.00 0.58 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.48 1rgc s VAL 79 N -1.07 2.43 0.21 2.04 1.01 0.65 -1.47 120.40 124.20 1rgc s VAL 79 Ca 0.18 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1rgc s VAL 79 Cb -0.13 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1rgc s VAL 79 CO 0.07 0.53 -0.02 0.72 0.00 0.00 0.00 175.10 176.40 1rgc s PHE 80 N 0.76 1.47 0.23 5.22 -0.12 -0.43 -0.78 117.98 124.34 1rgc s PHE 80 Ca -0.07 -0.91 0.02 0.00 -0.05 0.00 0.00 56.93 55.92 1rgc s PHE 80 Cb -0.16 -0.83 0.02 0.00 -0.63 0.00 0.00 43.02 41.42 1rgc s PHE 80 CO 0.00 -0.04 0.16 0.27 -0.05 0.00 0.00 175.22 175.56 1rgc n ASN 81 N -0.36 1.80 0.28 1.98 0.23 -0.82 -0.34 115.26 118.03 1rgc n ASN 81 Ca -0.06 -1.82 0.14 0.00 -0.53 0.00 0.00 54.58 52.32 1rgc n ASN 81 Cb 0.63 -0.01 0.84 0.00 -2.08 0.00 0.00 39.78 39.17 1rgc n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1rgc h GLU 82 N 0.00 0.00 -0.68 -3.83 4.57 -1.84 -0.91 114.58 111.89 1rgc h GLU 82 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1rgc h GLU 82 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1rgc h GLU 82 CO 0.24 0.06 0.00 0.09 -1.18 0.00 0.00 179.01 178.22 1rgc n ASN 83 N -3.68 4.22 -2.91 1.04 5.03 -1.26 -4.91 115.26 112.79 1rgc n ASN 83 Ca -0.02 -2.24 -0.19 0.00 0.87 0.00 0.00 54.58 53.00 1rgc n ASN 83 Cb 0.16 -0.52 0.06 0.00 -1.02 0.00 0.00 39.78 38.45 1rgc n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1rgc n ASN 84 N 1.30 -5.56 -4.73 6.41 4.05 -0.35 -4.99 115.26 111.40 1rgc n ASN 84 Ca 0.24 -0.39 -0.35 0.00 0.45 0.00 0.00 54.58 54.53 1rgc n ASN 84 Cb 0.74 -4.23 -0.09 0.00 1.23 0.00 0.00 39.78 37.43 1rgc n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1rgc s GLN 85 N -5.92 3.23 -0.02 1.20 -0.21 -1.26 -4.88 119.66 111.79 1rgc s GLN 85 Ca 0.42 -0.33 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 1rgc s GLN 85 Cb -0.19 -2.95 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1rgc s GLN 85 CO 0.52 0.67 1.41 -1.17 -2.12 0.00 0.00 175.29 174.60 1rgc s LEU 86 N -0.76 4.30 -0.16 2.90 2.96 -1.26 -1.95 118.68 124.70 1rgc s LEU 86 Ca 0.12 2.08 -0.14 0.00 -0.22 0.00 0.00 54.13 55.97 1rgc s LEU 86 Cb -0.12 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 1rgc s LEU 86 CO 0.03 -0.74 0.29 0.00 -1.32 0.00 0.00 176.35 174.60 1rgc n ALA 87 N 5.68 0.83 0.00 5.97 0.00 0.04 -4.83 120.51 128.20 1rgc n ALA 87 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1rgc n ALA 87 Cb 0.44 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1rgc n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgc n GLY 88 N 1.71 -1.93 3.01 0.00 0.00 -1.07 -4.68 105.19 102.24 1rgc n GLY 88 Ca -0.32 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1rgc n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rgc s VAL 89 N -2.25 1.57 0.32 1.61 1.01 -1.26 -0.26 120.40 121.15 1rgc s VAL 89 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1rgc s VAL 89 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1rgc s VAL 89 CO 0.00 0.37 -0.00 0.27 0.00 0.00 0.00 175.10 175.74 1rgc s ILE 90 N 1.47 1.54 0.03 2.22 -4.36 -0.66 -0.42 121.20 121.02 1rgc s ILE 90 Ca 0.03 -2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 58.19 1rgc s ILE 90 Cb -0.14 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.92 1rgc s ILE 90 CO -0.10 -0.13 0.39 0.28 0.24 0.00 0.00 174.94 175.63 1rgc s THR 91 N -3.06 0.06 -0.62 8.37 -1.32 0.26 -1.10 115.64 118.22 1rgc s THR 91 Ca 0.33 -0.47 0.25 0.00 -1.21 0.00 0.00 61.69 60.59 1rgc s THR 91 Cb 0.07 -0.90 0.21 0.00 -1.51 0.00 0.00 72.50 70.37 1rgc s THR 91 CO 0.14 -0.26 1.58 0.45 -2.21 0.00 0.00 174.62 174.32 1rgc h HIS 92 N 3.18 0.00 -2.61 9.09 3.86 -1.56 -0.98 115.15 126.12 1rgc h HIS 92 Ca -0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.37 1rgc h HIS 92 Cb 1.20 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.69 1rgc h HIS 92 CO 0.43 0.00 1.05 0.99 0.86 0.00 0.00 177.93 181.26 1rgc s THR 93 N -3.15 2.84 0.00 2.45 2.01 -1.26 -1.70 115.64 116.82 1rgc s THR 93 Ca 0.08 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1rgc s THR 93 Cb 0.11 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1rgc s THR 93 CO 0.66 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 1rgc n GLY 94 N 4.11 0.65 3.29 4.40 0.00 -1.26 -4.76 105.19 111.62 1rgc n GLY 94 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1rgc n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgc s ALA 95 N -2.43 2.05 0.37 4.61 0.00 -0.69 -4.97 121.76 120.70 1rgc s ALA 95 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 1rgc s ALA 95 Cb 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 1rgc s ALA 95 CO 0.00 0.49 0.98 -1.54 0.00 0.00 0.00 175.76 175.69 1rgc s SER 96 N -0.82 7.06 1.78 0.00 1.04 -1.26 -4.74 113.70 116.76 1rgc s SER 96 Ca 0.10 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1rgc s SER 96 Cb -0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1rgc s SER 96 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1rgc n GLY 97 N 0.24 3.60 1.57 7.32 0.00 -1.26 -1.77 105.19 114.89 1rgc n GLY 97 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1rgc n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rgc n ASN 98 N 5.10 3.79 -4.68 1.61 4.13 -1.26 -4.98 115.26 118.97 1rgc n ASN 98 Ca 0.00 -3.41 -0.27 0.00 1.68 0.00 0.00 54.58 52.58 1rgc n ASN 98 Cb 0.00 -0.69 0.11 0.00 -1.54 0.00 0.00 39.78 37.66 1rgc n ASN 98 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1rgc s ASN 99 N -1.70 4.25 0.20 6.41 0.01 -0.73 -5.04 114.94 118.33 1rgc s ASN 99 Ca 0.50 0.36 0.06 0.00 -0.71 0.00 0.00 52.86 53.07 1rgc s ASN 99 Cb 0.42 -0.78 -0.05 0.00 0.41 0.00 0.00 41.25 41.25 1rgc s ASN 99 CO 0.08 -1.99 -0.10 -0.36 -1.51 0.00 0.00 177.10 173.23 1rgc s PHE 100 N -3.47 1.57 0.10 2.20 0.08 -1.26 -4.43 117.98 112.77 1rgc s PHE 100 Ca 0.65 -0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.02 1rgc s PHE 100 Cb -0.08 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 1rgc s PHE 100 CO 0.48 0.19 -0.09 0.14 -0.10 0.00 0.00 175.22 175.83 1rgc s VAL 101 N -3.17 0.87 0.39 -0.44 -7.23 -0.37 -4.96 120.40 105.48 1rgc s VAL 101 Ca 0.22 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 1rgc s VAL 101 Cb 0.02 -1.38 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 1rgc s VAL 101 CO 0.06 -0.62 0.90 -1.61 -0.31 0.00 0.00 175.10 173.52 1rgc s GLU 102 N -2.94 4.22 0.08 4.82 2.02 -1.26 -0.57 118.70 125.06 1rgc s GLU 102 Ca 0.06 1.05 -0.24 0.00 0.02 0.00 0.00 54.97 55.86 1rgc s GLU 102 Cb -0.02 -2.31 -0.06 0.00 0.10 0.00 0.00 34.13 31.84 1rgc s GLU 102 CO -0.01 0.05 0.72 0.00 0.02 0.00 0.00 175.26 176.04