#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhw n SER 2 N 0.00 -4.46 -3.39 7.83 7.64 -1.26 -5.02 113.62 114.96 1rhw n SER 2 Ca 0.00 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1rhw n SER 2 Cb 0.00 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1rhw n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1rhw n ASP 3 N -0.44 0.00 0.00 6.43 -0.08 -1.26 -5.07 116.55 116.14 1rhw n ASP 3 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1rhw n ASP 3 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1rhw n ASP 3 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1rhw n ARG 4 N 0.00 0.00 -1.11 -0.67 1.74 -1.26 -5.18 116.66 110.18 1rhw n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1rhw n ARG 4 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1rhw n ARG 4 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1rhw n LYS 5 N -2.47 0.00 -1.80 5.56 2.85 -1.26 -5.06 118.16 115.98 1rhw n LYS 5 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1rhw n LYS 5 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1rhw n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rhw s ALA 6 N -1.00 1.14 0.98 0.58 0.00 -1.26 -4.90 121.76 117.30 1rhw s ALA 6 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 1rhw s ALA 6 Cb 0.00 -4.58 -0.15 0.00 0.00 0.00 0.00 23.12 18.39 1rhw s ALA 6 CO 0.00 -5.47 -0.76 1.33 0.00 0.00 0.00 175.76 170.86 1rhw n VAL 7 N 8.37 0.00 -4.06 0.00 0.24 -1.24 -4.78 118.33 116.86 1rhw n VAL 7 Ca 0.44 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 62.11 1rhw n VAL 7 Cb 0.45 -0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.70 1rhw n VAL 7 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rhw s ILE 8 N -2.00 0.52 0.00 1.34 1.09 -1.26 -2.68 121.20 118.20 1rhw s ILE 8 Ca 0.41 -1.05 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 1rhw s ILE 8 Cb -0.20 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.62 1rhw s ILE 8 CO 0.82 -0.38 0.00 0.29 -0.10 0.00 0.00 174.94 175.57 1rhw n LYS 9 N 1.50 0.00 -4.53 2.79 5.02 -1.20 -4.87 118.16 116.87 1rhw n LYS 9 Ca -0.23 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.84 1rhw n LYS 9 Cb 0.55 -0.11 -0.14 0.00 -0.02 0.00 0.00 35.03 35.31 1rhw n LYS 9 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1rhw s ASN 10 N -2.18 1.93 0.33 4.39 3.84 0.55 -5.01 114.94 118.80 1rhw s ASN 10 Ca 0.00 -0.43 0.00 0.00 0.21 0.00 0.00 52.86 52.64 1rhw s ASN 10 Cb 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.54 1rhw s ASN 10 CO 0.00 0.11 0.00 0.00 -2.79 0.00 0.00 177.10 174.42 1rhw n ALA 11 N 2.10 1.77 -2.97 1.71 0.00 -1.26 0.22 120.51 122.09 1rhw n ALA 11 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1rhw n ALA 11 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1rhw n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rhw n ASP 12 N -3.37 -7.48 -0.92 0.00 -0.08 -1.26 -4.54 116.55 98.90 1rhw n ASP 12 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1rhw n ASP 12 Cb 0.00 -4.58 0.00 0.00 2.34 0.00 0.00 41.12 38.88 1rhw n ASP 12 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1rhw n MET 13 N -0.10 0.00 -3.43 -0.67 1.56 -1.26 -4.89 117.12 108.33 1rhw n MET 13 Ca 0.06 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.12 1rhw n MET 13 Cb 0.45 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.74 1rhw n MET 13 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1rhw s SER 14 N -0.75 6.47 0.58 6.12 0.15 -1.26 -4.91 113.70 120.11 1rhw s SER 14 Ca 0.00 0.56 0.39 0.00 0.70 0.00 0.00 55.95 57.60 1rhw s SER 14 Cb 0.00 -2.22 1.38 0.00 -1.71 0.00 0.00 66.02 63.47 1rhw s SER 14 CO 0.00 -0.01 1.48 -0.08 1.20 0.00 0.00 173.24 175.83 1rhw h GLU 15 N 7.04 0.00 0.11 5.44 4.57 -2.01 0.37 114.58 130.10 1rhw h GLU 15 Ca -0.39 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1rhw h GLU 15 Cb 1.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1rhw h GLU 15 CO 0.74 0.00 -0.15 1.49 -1.18 0.00 0.00 179.01 179.91 1rhw h GLU 16 N 0.00 -0.26 0.14 1.92 4.81 -1.97 0.61 114.58 119.83 1rhw h GLU 16 Ca 0.72 0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 59.66 1rhw h GLU 16 Cb 3.31 0.06 0.03 0.00 0.63 0.00 0.00 28.75 32.78 1rhw h GLU 16 CO -0.01 -0.17 -1.28 0.00 -0.73 0.00 0.00 179.01 176.82 1rhw h MET 17 N -0.27 0.61 -0.42 1.92 -0.00 -1.25 -1.60 114.93 113.92 1rhw h MET 17 Ca -0.01 -0.85 0.06 0.00 -0.00 0.00 0.00 59.70 58.90 1rhw h MET 17 Cb 0.24 0.29 -0.05 0.00 -0.00 0.00 0.00 31.60 32.08 1rhw h MET 17 CO -0.04 1.39 0.12 0.37 -0.00 0.00 0.00 176.91 178.75 1rhw h GLN 18 N 0.25 0.26 -0.05 -0.10 -0.00 -0.45 0.45 115.11 115.46 1rhw h GLN 18 Ca -0.20 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.40 1rhw h GLN 18 Cb 1.95 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 29.37 1rhw h GLN 18 CO 0.24 0.17 -0.11 0.37 0.00 0.00 0.00 178.83 179.50 1rhw h GLN 19 N 0.27 0.17 -0.57 1.69 -0.00 0.15 0.32 115.11 117.14 1rhw h GLN 19 Ca 0.20 -0.11 0.11 0.00 -0.00 0.00 0.00 58.65 58.85 1rhw h GLN 19 Cb 0.22 0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.63 1rhw h GLN 19 CO -0.23 0.70 0.07 0.22 0.00 0.00 0.00 178.83 179.59 1rhw h ASP 20 N -0.33 -0.11 0.00 -0.69 3.58 -0.95 0.72 116.42 118.65 1rhw h ASP 20 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1rhw h ASP 20 Cb 0.70 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1rhw h ASP 20 CO 0.03 -0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.35 1rhw n ALA 21 N -2.65 -0.25 -0.47 -0.78 0.00 0.15 -1.58 120.51 114.93 1rhw n ALA 21 Ca 0.08 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.90 1rhw n ALA 21 Cb 0.31 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.39 1rhw n ALA 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1rhw n VAL 22 N -1.75 -0.16 0.36 0.00 3.14 0.10 0.16 118.33 120.19 1rhw n VAL 22 Ca 0.00 1.49 -0.15 0.00 -2.96 0.00 0.00 64.34 62.72 1rhw n VAL 22 Cb 0.00 -2.45 -0.07 0.00 -1.06 0.00 0.00 33.84 30.25 1rhw n VAL 22 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1rhw h ASP 23 N 0.00 -0.81 -0.57 6.55 3.58 0.56 0.19 116.42 125.92 1rhw h ASP 23 Ca 0.78 0.01 0.14 0.00 0.42 0.00 0.00 57.03 58.39 1rhw h ASP 23 Cb 2.70 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 43.93 1rhw h ASP 23 CO -0.29 -0.44 0.40 0.00 -2.88 0.00 0.00 179.24 176.03 1rhw h ALA 25 N 1.72 -0.74 -0.99 0.00 0.00 0.07 0.20 119.26 119.53 1rhw h ALA 25 Ca 0.27 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.40 1rhw h ALA 25 Cb 0.89 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 1rhw h ALA 25 CO -0.04 -0.73 0.56 0.00 0.00 0.00 0.00 179.25 179.05 1rhw h THR 26 N -0.13 0.54 -0.65 0.00 1.03 -0.18 0.55 112.91 114.08 1rhw h THR 26 Ca -0.01 -0.20 -0.07 0.00 -0.01 0.00 0.00 66.41 66.13 1rhw h THR 26 Cb 0.08 -0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 67.05 1rhw h THR 26 CO 0.02 0.10 0.14 1.56 -0.01 0.00 0.00 175.52 177.33 1rhw h GLN 27 N 0.57 1.03 0.14 0.00 1.08 -0.32 -1.39 115.11 116.22 1rhw h GLN 27 Ca 0.63 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1rhw h GLN 27 Cb 1.17 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1rhw h GLN 27 CO -0.47 0.92 -0.11 0.00 -0.95 0.00 0.00 178.83 178.22 1rhw h ALA 28 N 1.17 -0.23 0.00 3.87 0.00 0.34 0.51 119.26 124.92 1rhw h ALA 28 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rhw h ALA 28 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rhw h ALA 28 CO 0.00 -0.64 0.00 -0.11 0.00 0.00 0.00 179.25 178.50 1rhw n LEU 29 N -5.22 0.34 -0.69 0.00 -0.00 -0.54 0.21 117.00 111.10 1rhw n LEU 29 Ca -0.08 0.61 0.10 0.00 -0.00 0.00 0.00 56.01 56.65 1rhw n LEU 29 Cb 0.15 -0.60 0.06 0.00 -0.00 0.00 0.00 43.42 43.02 1rhw n LEU 29 CO 0.32 -0.57 0.48 1.21 -0.00 0.00 0.00 177.39 178.83 1rhw n GLU 30 N -1.91 1.72 0.00 1.96 2.13 0.23 -4.54 120.64 120.23 1rhw n GLU 30 Ca 0.01 -1.45 0.00 0.00 0.66 0.00 0.00 57.16 56.38 1rhw n GLU 30 Cb 0.12 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1rhw n GLU 30 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1rhw n LYS 31 N 0.74 0.00 -3.12 5.31 4.81 0.16 -5.02 118.16 121.04 1rhw n LYS 31 Ca 0.11 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.35 1rhw n LYS 31 Cb 0.48 -0.54 0.01 0.00 0.02 0.00 0.00 35.03 35.00 1rhw n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1rhw s TYR 32 N -2.00 3.05 -0.00 5.64 2.02 0.57 -5.02 117.35 121.61 1rhw s TYR 32 Ca 0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1rhw s TYR 32 Cb 0.00 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 1rhw s TYR 32 CO 0.00 -0.32 0.86 -1.71 -1.57 0.00 0.00 175.55 172.81 1rhw n ASN 33 N -1.92 1.43 -4.07 2.29 5.15 -1.26 -4.50 115.26 112.39 1rhw n ASN 33 Ca 0.03 -1.74 -0.32 0.00 -0.60 0.00 0.00 54.58 51.95 1rhw n ASN 33 Cb 0.58 -0.01 -0.15 0.00 -0.53 0.00 0.00 39.78 39.67 1rhw n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1rhw s ILE 34 N -0.75 2.25 0.16 -1.44 1.09 -1.26 -5.00 121.20 116.25 1rhw s ILE 34 Ca 0.01 -1.70 -0.22 0.00 -1.10 0.00 0.00 60.65 57.64 1rhw s ILE 34 Cb 0.01 -2.36 0.05 0.00 -1.06 0.00 0.00 42.46 39.10 1rhw s ILE 34 CO 0.00 -0.10 1.62 -0.33 -0.10 0.00 0.00 174.94 176.03 1rhw h GLU 35 N 7.77 -0.23 -0.67 2.79 5.08 -1.97 1.61 114.58 128.96 1rhw h GLU 35 Ca -0.18 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1rhw h GLU 35 Cb 1.04 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1rhw h GLU 35 CO 0.47 -0.15 0.16 0.87 -1.00 0.00 0.00 179.01 179.36 1rhw h LYS 36 N -0.24 0.27 0.00 2.33 1.79 -1.99 0.67 116.57 119.40 1rhw h LYS 36 Ca 0.16 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.50 1rhw h LYS 36 Cb 0.48 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1rhw h LYS 36 CO -0.45 0.18 -0.52 0.22 -1.08 0.00 0.00 179.45 177.80 1rhw h ASP 37 N 0.28 0.00 0.51 0.86 -0.00 -1.38 -0.28 116.42 116.40 1rhw h ASP 37 Ca 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.37 1rhw h ASP 37 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.92 1rhw h ASP 37 CO -0.45 0.52 -0.25 0.40 -0.00 0.00 0.00 179.24 179.46 1rhw h ILE 38 N 0.00 0.41 -0.35 2.25 1.08 0.75 0.26 117.51 121.91 1rhw h ILE 38 Ca -0.01 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1rhw h ILE 38 Cb 0.95 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1rhw h ILE 38 CO 0.07 0.05 0.09 0.00 -0.69 0.00 0.00 178.15 177.67 1rhw h ALA 39 N -0.58 1.50 -0.14 1.87 0.00 -0.08 -0.02 119.26 121.81 1rhw h ALA 39 Ca -0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1rhw h ALA 39 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rhw h ALA 39 CO 0.12 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 1rhw h ALA 40 N 1.60 1.29 -0.03 0.00 0.00 -0.85 -0.05 119.26 121.22 1rhw h ALA 40 Ca 0.12 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1rhw h ALA 40 Cb 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rhw h ALA 40 CO -0.00 0.48 -0.95 -0.92 0.00 0.00 0.00 179.25 177.86 1rhw h TYR 41 N 0.23 0.88 0.14 0.00 5.03 0.10 -1.02 116.97 122.33 1rhw h TYR 41 Ca 0.04 -0.46 -0.01 0.00 2.58 0.00 0.00 58.73 60.88 1rhw h TYR 41 Cb 0.60 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1rhw h TYR 41 CO 0.01 1.28 -0.07 0.82 -1.32 0.00 0.00 178.16 178.89 1rhw h ILE 42 N 0.36 1.01 -0.14 1.81 2.04 -0.76 0.60 117.51 122.42 1rhw h ILE 42 Ca -0.10 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1rhw h ILE 42 Cb 1.59 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1rhw h ILE 42 CO 0.18 0.16 0.05 0.50 0.00 0.00 0.00 178.15 179.04 1rhw h LYS 43 N -0.51 0.11 -0.91 2.37 3.11 -1.09 -1.27 116.57 118.38 1rhw h LYS 43 Ca -0.02 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1rhw h LYS 43 Cb 0.40 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 1rhw h LYS 43 CO 0.03 0.07 0.54 -0.22 -2.81 0.00 0.00 179.45 177.06 1rhw h LYS 44 N 0.11 1.24 0.05 1.90 3.64 -1.15 0.58 116.57 122.95 1rhw h LYS 44 Ca 0.06 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1rhw h LYS 44 Cb 0.04 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.55 1rhw h LYS 44 CO -0.07 0.88 -0.34 1.49 -2.27 0.00 0.00 179.45 179.14 1rhw h GLU 45 N 1.26 -0.50 0.00 1.90 4.57 0.11 0.41 114.58 122.32 1rhw h GLU 45 Ca 0.33 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1rhw h GLU 45 Cb -0.04 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1rhw h GLU 45 CO -0.06 -0.34 -0.05 0.74 -1.18 0.00 0.00 179.01 178.13 1rhw h PHE 46 N -0.52 0.00 0.00 0.92 -1.00 -0.95 -2.58 116.94 112.81 1rhw h PHE 46 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1rhw h PHE 46 Cb 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1rhw h PHE 46 CO -0.33 0.05 0.00 0.22 -1.61 0.00 0.00 178.31 176.63 1rhw h ASP 47 N 0.00 0.00 0.00 2.17 1.82 0.15 -3.11 116.42 117.45 1rhw h ASP 47 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1rhw h ASP 47 Cb 0.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1rhw h ASP 47 CO 0.01 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 177.93 1rhw n LYS 48 N -2.88 0.00 -3.32 0.28 4.76 0.13 -4.44 118.16 112.69 1rhw n LYS 48 Ca 0.03 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 1rhw n LYS 48 Cb 0.44 -0.30 -0.08 0.00 -1.84 0.00 0.00 35.03 33.25 1rhw n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1rhw n LYS 49 N 0.00 1.51 0.05 1.97 5.02 -1.26 -4.86 118.16 120.59 1rhw n LYS 49 Ca 0.00 -3.89 0.00 0.00 -2.02 0.00 0.00 58.31 52.40 1rhw n LYS 49 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1rhw n LYS 49 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1rhw n TYR 50 N 1.24 -0.81 -2.67 2.13 9.36 -1.21 -5.06 117.16 120.14 1rhw n TYR 50 Ca 0.25 0.14 -0.04 0.00 3.32 0.00 0.00 57.90 61.57 1rhw n TYR 50 Cb 0.47 0.48 0.09 0.00 -0.63 0.00 0.00 39.34 39.74 1rhw n TYR 50 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1rhw n ASN 51 N -2.84 -1.38 -4.82 2.98 2.85 -1.18 -5.10 115.26 105.77 1rhw n ASN 51 Ca 0.00 -1.93 -0.31 0.00 -0.11 0.00 0.00 54.58 52.23 1rhw n ASN 51 Cb 0.00 0.94 0.06 0.00 1.24 0.00 0.00 39.78 42.02 1rhw n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1rhw s PRO 52 N 0.12 2.81 0.16 1.20 0.04 -1.26 -4.47 135.00 133.60 1rhw s PRO 52 Ca 0.24 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 1rhw s PRO 52 Cb 0.24 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 1rhw s PRO 52 CO -0.13 -1.18 0.36 -0.08 0.04 0.00 0.00 177.00 176.02 1rhw s THR 53 N -3.06 5.22 0.35 1.26 -1.32 -1.22 -4.93 115.64 111.94 1rhw s THR 53 Ca 0.58 -0.24 0.07 0.00 -1.21 0.00 0.00 61.69 60.90 1rhw s THR 53 Cb -0.14 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1rhw s THR 53 CO 0.55 -0.06 0.39 0.26 -2.21 0.00 0.00 174.62 173.55 1rhw s TRP 54 N -1.75 2.95 -0.08 9.09 0.52 -1.26 -3.90 118.94 124.52 1rhw s TRP 54 Ca 0.39 -0.30 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 1rhw s TRP 54 Cb -0.12 -1.95 0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1rhw s TRP 54 CO 0.27 0.04 0.10 -1.01 0.02 0.00 0.00 176.95 176.37 1rhw s HIS 55 N -2.28 -0.02 0.03 -1.98 3.76 0.15 -4.93 115.29 110.02 1rhw s HIS 55 Ca 0.44 0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 1rhw s HIS 55 Cb -0.07 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 1rhw s HIS 55 CO 0.29 -0.27 -0.01 0.00 -0.85 0.00 0.00 174.74 173.89 1rhw s ILE 57 N -1.13 1.05 0.29 0.00 -1.09 -0.08 -4.98 121.20 115.25 1rhw s ILE 57 Ca 0.21 -1.86 0.05 0.00 -2.23 0.00 0.00 60.65 56.82 1rhw s ILE 57 Cb -0.11 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1rhw s ILE 57 CO 0.12 -0.66 0.18 0.55 -1.23 0.00 0.00 174.94 173.90 1rhw n VAL 58 N 0.16 0.00 0.00 2.92 3.14 -1.26 -1.55 118.33 121.74 1rhw n VAL 58 Ca -0.13 -1.96 0.00 0.00 -2.96 0.00 0.00 64.34 59.29 1rhw n VAL 58 Cb 0.59 0.87 0.00 0.00 -1.06 0.00 0.00 33.84 34.24 1rhw n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rhw n GLY 59 N -0.40 1.37 0.69 7.55 0.00 -1.26 -4.83 105.19 108.32 1rhw n GLY 59 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1rhw n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rhw n ARG 60 N 0.00 0.00 -1.37 1.61 0.63 -1.26 -4.54 116.66 111.73 1rhw n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1rhw n ARG 60 Cb 0.00 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 32.84 1rhw n ARG 60 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1rhw n ASN 61 N -1.85 0.23 0.00 6.15 5.15 -1.26 -4.83 115.26 118.85 1rhw n ASN 61 Ca 0.00 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1rhw n ASN 61 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1rhw n ASN 61 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1rhw n PHE 62 N 0.00 0.00 0.00 1.20 -0.00 -1.26 -4.90 117.46 112.50 1rhw n PHE 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1rhw n PHE 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1rhw n PHE 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rhw n GLY 63 N 5.00 0.57 3.07 7.13 0.00 -1.26 -5.07 105.19 114.62 1rhw n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1rhw n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rhw s SER 64 N 0.00 5.36 0.00 1.61 0.01 -1.26 -4.63 113.70 114.79 1rhw s SER 64 Ca 0.00 -3.24 0.00 0.00 1.31 0.00 0.00 55.95 54.02 1rhw s SER 64 Cb 0.00 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1rhw s SER 64 CO 0.00 -0.27 0.00 0.00 0.41 0.00 0.00 173.24 173.38 1rhw n TYR 65 N 2.95 -0.84 -1.14 2.43 4.11 -1.26 -4.73 117.16 118.68 1rhw n TYR 65 Ca 0.13 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.82 1rhw n TYR 65 Cb 0.37 0.17 -0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1rhw n TYR 65 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 1rhw n VAL 66 N -1.83 3.01 0.08 -3.48 3.14 -1.26 -1.74 118.33 116.25 1rhw n VAL 66 Ca 0.00 -2.19 0.00 0.00 -2.96 0.00 0.00 64.34 59.19 1rhw n VAL 66 Cb 0.00 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 1rhw n VAL 66 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1rhw n THR 67 N 0.60 0.00 -0.04 1.55 -1.04 -1.26 -4.95 114.28 109.14 1rhw n THR 67 Ca 0.38 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.37 1rhw n THR 67 Cb 0.58 -0.16 -0.08 0.00 -1.82 0.00 0.00 70.33 68.85 1rhw n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rhw n HIS 68 N -2.85 0.00 -1.12 -1.42 1.44 -1.26 -5.12 115.22 104.89 1rhw n HIS 68 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 1rhw n HIS 68 Cb 0.00 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 29.60 1rhw n HIS 68 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1rhw n GLU 69 N -2.26 -2.56 -3.71 -1.40 1.02 -0.71 -4.98 120.64 106.03 1rhw n GLU 69 Ca -0.13 2.06 -0.14 0.00 -0.02 0.00 0.00 57.16 58.93 1rhw n GLU 69 Cb 0.70 -3.01 -0.14 0.00 -0.02 0.00 0.00 31.44 28.97 1rhw n GLU 69 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rhw s THR 70 N -3.78 -0.14 0.00 2.62 -4.23 -1.26 -4.85 115.64 104.00 1rhw s THR 70 Ca 0.00 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1rhw s THR 70 Cb 0.00 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1rhw s THR 70 CO 0.00 0.10 0.63 0.54 -0.54 0.00 0.00 174.62 175.34 1rhw n ARG 71 N 4.62 0.00 -4.77 3.99 1.74 0.33 -4.36 116.66 118.21 1rhw n ARG 71 Ca -0.19 0.63 -0.25 0.00 -0.77 0.00 0.00 57.85 57.27 1rhw n ARG 71 Cb 0.51 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.84 1rhw n ARG 71 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1rhw s HIS 72 N -2.91 1.57 0.18 -1.55 3.76 -1.25 -4.96 115.29 110.13 1rhw s HIS 72 Ca 0.00 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 1rhw s HIS 72 Cb 0.00 -1.05 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 1rhw s HIS 72 CO 0.00 -0.13 0.25 -0.59 -0.85 0.00 0.00 174.74 173.42 1rhw s PHE 73 N -0.04 0.62 -0.30 1.40 -0.71 -1.26 -0.02 117.98 117.68 1rhw s PHE 73 Ca -0.01 -0.96 -0.11 0.00 -1.04 0.00 0.00 56.93 54.81 1rhw s PHE 73 Cb -0.10 -0.19 0.12 0.00 -1.21 0.00 0.00 43.02 41.65 1rhw s PHE 73 CO 0.01 -0.72 0.68 -1.50 -1.34 0.00 0.00 175.22 172.35 1rhw s ILE 74 N -4.03 -0.82 -0.30 -4.49 2.07 0.13 -4.71 121.20 109.05 1rhw s ILE 74 Ca 0.24 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.46 1rhw s ILE 74 Cb 0.04 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.68 1rhw s ILE 74 CO 0.04 0.00 -0.01 -0.47 -1.91 0.00 0.00 174.94 172.60 1rhw s TYR 75 N 2.68 3.26 0.33 3.50 5.04 0.13 -1.11 117.35 131.18 1rhw s TYR 75 Ca -0.06 -1.87 0.08 0.00 -2.44 0.00 0.00 57.07 52.77 1rhw s TYR 75 Cb -0.11 -2.10 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 1rhw s TYR 75 CO -0.19 -0.80 0.28 1.97 -1.34 0.00 0.00 175.55 175.46 1rhw n PHE 76 N 4.62 -0.78 -3.69 4.97 -1.74 -0.34 -0.33 117.46 120.17 1rhw n PHE 76 Ca -0.13 -2.77 -0.37 0.00 -0.56 0.00 0.00 57.45 53.62 1rhw n PHE 76 Cb 0.43 0.28 -0.11 0.00 1.52 0.00 0.00 39.48 41.61 1rhw n PHE 76 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1rhw s TYR 77 N -3.34 3.21 -0.37 2.97 5.04 -1.09 -0.67 117.35 123.11 1rhw s TYR 77 Ca 0.39 0.01 -0.10 0.00 -2.44 0.00 0.00 57.07 54.93 1rhw s TYR 77 Cb 0.02 -2.29 0.04 0.00 0.35 0.00 0.00 41.96 40.08 1rhw s TYR 77 CO 0.28 -0.12 0.19 -1.17 -1.34 0.00 0.00 175.55 173.39 1rhw s LEU 78 N 1.42 4.69 0.00 6.97 2.96 0.13 -3.68 118.68 131.16 1rhw s LEU 78 Ca 0.07 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 1rhw s LEU 78 Cb -0.15 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1rhw s LEU 78 CO 0.07 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1rhw n GLY 79 N 4.95 1.00 0.09 7.98 0.00 -1.26 -1.10 105.19 116.85 1rhw n GLY 79 Ca -0.12 0.37 0.02 0.00 0.00 0.00 0.00 46.02 46.30 1rhw n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rhw n GLN 80 N 0.00 1.36 -4.36 1.61 -0.00 -1.26 -4.96 117.38 109.76 1rhw n GLN 80 Ca 0.00 -1.35 -0.25 0.00 -0.00 0.00 0.00 57.00 55.39 1rhw n GLN 80 Cb 0.00 -0.88 -0.07 0.00 -0.00 0.00 0.00 30.24 29.29 1rhw n GLN 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1rhw n VAL 81 N -0.47 0.00 -3.99 -0.39 3.14 -0.26 -5.17 118.33 111.20 1rhw n VAL 81 Ca 0.03 -2.32 -0.22 0.00 -2.96 0.00 0.00 64.34 58.88 1rhw n VAL 81 Cb 0.47 0.79 -0.04 0.00 -1.06 0.00 0.00 33.84 34.00 1rhw n VAL 81 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rhw s ALA 82 N -3.06 3.67 -0.23 1.55 0.00 -1.26 0.17 121.76 122.61 1rhw s ALA 82 Ca 0.18 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 1rhw s ALA 82 Cb 0.01 -1.21 0.10 0.00 0.00 0.00 0.00 23.12 22.02 1rhw s ALA 82 CO 0.13 0.14 0.50 -1.50 0.00 0.00 0.00 175.76 175.03 1rhw s ILE 83 N -2.22 -0.63 -0.32 0.00 2.07 0.16 -4.45 121.20 115.81 1rhw s ILE 83 Ca 0.36 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.73 1rhw s ILE 83 Cb -0.07 -0.77 0.09 0.00 0.13 0.00 0.00 42.46 41.85 1rhw s ILE 83 CO 0.25 0.04 0.04 -1.48 -1.91 0.00 0.00 174.94 171.89 1rhw s LEU 84 N 2.49 3.84 0.04 8.50 0.05 -0.60 -1.20 118.68 131.80 1rhw s LEU 84 Ca -0.04 -1.89 -0.07 0.00 0.05 0.00 0.00 54.13 52.18 1rhw s LEU 84 Cb -0.11 -1.39 -0.05 0.00 -2.05 0.00 0.00 46.19 42.59 1rhw s LEU 84 CO -0.15 -0.36 0.31 -0.22 -0.55 0.00 0.00 176.35 175.38 1rhw s LEU 85 N 1.14 4.35 -0.07 1.48 2.96 -0.27 -0.91 118.68 127.37 1rhw s LEU 85 Ca 0.08 0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 54.29 1rhw s LEU 85 Cb -0.19 -2.83 0.07 0.00 0.50 0.00 0.00 46.19 43.74 1rhw s LEU 85 CO -0.12 0.21 0.68 0.72 -1.32 0.00 0.00 176.35 176.52 1rhw s PHE 86 N -1.37 -0.67 -0.23 5.38 -0.71 0.03 0.22 117.98 120.62 1rhw s PHE 86 Ca 0.31 1.20 -0.05 0.00 -1.04 0.00 0.00 56.93 57.35 1rhw s PHE 86 Cb -0.13 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.07 1rhw s PHE 86 CO 0.18 -0.59 -0.01 0.21 -1.34 0.00 0.00 175.22 173.67 1rhw s LYS 87 N -1.05 3.40 -0.49 1.99 2.47 0.98 0.31 119.74 127.34 1rhw s LYS 87 Ca -0.10 -0.62 0.03 0.00 -1.56 0.00 0.00 55.97 53.72 1rhw s LYS 87 Cb -0.00 -3.11 0.15 0.00 -1.46 0.00 0.00 37.83 33.41 1rhw s LYS 87 CO 0.09 -0.22 0.32 0.45 0.16 0.00 0.00 175.35 176.15 1rhw s SER 88 N 1.51 3.38 0.00 1.43 0.15 -1.25 -0.52 113.70 118.40 1rhw s SER 88 Ca 0.05 -3.01 0.00 0.00 0.70 0.00 0.00 55.95 53.69 1rhw s SER 88 Cb -0.15 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1rhw s SER 88 CO -0.01 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84