#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhw s SER 2 N 0.00 7.09 0.65 7.83 0.01 -1.26 -5.02 113.70 123.00 1rhw s SER 2 Ca 0.00 -3.10 0.00 0.00 1.31 0.00 0.00 55.95 54.16 1rhw s SER 2 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1rhw s SER 2 CO 0.00 -0.57 0.00 0.47 0.41 0.00 0.00 173.24 173.55 1rhw n ASP 3 N 4.35 -1.29 0.00 2.44 9.92 -1.26 -5.05 116.55 125.66 1rhw n ASP 3 Ca 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1rhw n ASP 3 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1rhw n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1rhw n ARG 4 N -1.29 0.00 0.00 -1.24 1.74 -1.26 -5.19 116.66 109.42 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 1.17 -1.52 0.00 0.00 177.63 177.28 1rhw n LYS 5 N -0.38 0.00 -1.60 5.56 3.00 -1.26 -5.10 118.16 118.38 1rhw n LYS 5 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.31 57.77 1rhw n LYS 5 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1rhw n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rhw n ALA 6 N -3.00 0.40 -1.53 3.14 0.00 -1.26 -4.91 120.51 113.34 1rhw n ALA 6 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 1rhw n ALA 6 Cb 0.00 -2.36 0.10 0.00 0.00 0.00 0.00 19.45 17.19 1rhw n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rhw s VAL 7 N 4.96 2.90 -0.04 0.00 1.01 -1.18 -4.94 120.40 123.10 1rhw s VAL 7 Ca 1.02 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.29 1rhw s VAL 7 Cb -0.97 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1rhw s VAL 7 CO 0.58 -0.38 0.01 -0.63 0.00 0.00 0.00 175.10 174.69 1rhw s ILE 8 N -3.16 0.14 0.00 2.22 1.09 -1.26 -2.45 121.20 117.77 1rhw s ILE 8 Ca 0.61 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 60.33 1rhw s ILE 8 Cb -0.15 -0.28 0.00 0.00 -1.06 0.00 0.00 42.46 40.97 1rhw s ILE 8 CO 0.54 0.17 0.00 0.29 -0.10 0.00 0.00 174.94 175.84 1rhw n LYS 9 N 4.56 0.00 -4.62 2.79 5.02 -1.07 -4.98 118.16 119.86 1rhw n LYS 9 Ca -0.18 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1rhw n LYS 9 Cb 0.50 -0.15 -0.11 0.00 -0.02 0.00 0.00 35.03 35.25 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 -1.00 4.45 0.00 4.39 2.47 -0.22 -4.96 114.94 120.08 1rhw s ASN 10 Ca 0.00 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1rhw s ASN 10 Cb 0.00 -1.03 0.00 0.00 -1.45 0.00 0.00 41.25 38.77 1rhw s ASN 10 CO 0.00 0.32 0.00 0.00 -3.72 0.00 0.00 177.10 173.70 1rhw n ALA 11 N 1.95 2.19 -3.56 1.71 0.00 -1.26 0.33 120.51 121.87 1rhw n ALA 11 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 1rhw n ALA 11 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1rhw n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rhw n ASP 12 N -2.36 -5.57 -2.67 0.00 10.43 -1.26 -4.51 116.55 110.60 1rhw n ASP 12 Ca 0.00 -0.51 -0.02 0.00 2.57 0.00 0.00 54.79 56.83 1rhw n ASP 12 Cb 0.00 -2.29 0.02 0.00 1.84 0.00 0.00 41.12 40.68 1rhw n ASP 12 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 1rhw n MET 13 N -1.59 0.48 -3.30 -1.24 1.56 -1.26 -4.86 117.12 106.91 1rhw n MET 13 Ca -0.18 -1.08 -0.39 0.00 -0.27 0.00 0.00 57.70 55.78 1rhw n MET 13 Cb 0.66 1.47 -0.06 0.00 2.15 0.00 0.00 33.22 37.43 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 -2.77 7.04 0.65 6.12 0.15 -1.26 -4.88 113.70 118.74 1rhw s SER 14 Ca 0.17 1.23 0.22 0.00 0.70 0.00 0.00 55.95 58.27 1rhw s SER 14 Cb -0.02 -2.35 1.14 0.00 -1.71 0.00 0.00 66.02 63.08 1rhw s SER 14 CO 0.04 0.28 1.64 -0.08 1.20 0.00 0.00 173.24 176.32 1rhw h GLU 15 N 4.56 0.00 0.59 5.44 4.81 -2.01 0.48 114.58 128.45 1rhw h GLU 15 Ca -0.50 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1rhw h GLU 15 Cb 1.21 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.60 1rhw h GLU 15 CO 0.63 0.00 -0.28 0.93 -0.73 0.00 0.00 179.01 179.56 1rhw h GLU 16 N 0.00 -0.76 0.02 1.92 4.39 -1.97 0.58 114.58 118.76 1rhw h GLU 16 Ca 0.08 0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.62 1rhw h GLU 16 Cb 1.28 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.07 1rhw h GLU 16 CO -0.00 -0.51 -1.02 0.52 -1.16 0.00 0.00 179.01 176.84 1rhw h MET 17 N -0.79 0.04 -0.15 2.33 2.86 -1.59 -1.61 114.93 116.03 1rhw h MET 17 Ca -0.08 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1rhw h MET 17 Cb 0.61 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1rhw h MET 17 CO 0.13 1.02 -0.02 0.37 1.06 0.00 0.00 176.91 179.47 1rhw h GLN 18 N 0.01 0.27 -0.10 1.72 -0.00 -0.15 0.62 115.11 117.49 1rhw h GLN 18 Ca -0.03 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.65 58.46 1rhw h GLN 18 Cb 1.77 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 29.23 1rhw h GLN 18 CO 0.14 0.52 -0.19 0.37 0.00 0.00 0.00 178.83 179.68 1rhw h GLN 19 N -0.01 0.31 -0.42 1.69 -0.00 0.10 0.14 115.11 116.92 1rhw h GLN 19 Ca 0.04 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 1rhw h GLN 19 Cb 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.90 1rhw h GLN 19 CO 0.01 0.78 0.24 0.22 0.00 0.00 0.00 178.83 180.08 1rhw h ASP 20 N -0.13 0.52 0.73 -0.69 1.82 -1.31 0.53 116.42 117.89 1rhw h ASP 20 Ca 0.01 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1rhw h ASP 20 Cb 0.76 -0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.65 1rhw h ASP 20 CO 0.04 0.44 -0.35 0.00 -1.61 0.00 0.00 179.24 177.76 1rhw h ALA 21 N 1.10 -1.11 -0.41 -0.78 0.00 0.26 -1.66 119.26 116.66 1rhw h ALA 21 Ca 0.15 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1rhw h ALA 21 Cb 0.03 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rhw h ALA 21 CO -0.03 -1.03 0.43 -0.24 0.00 0.00 0.00 179.25 178.38 1rhw h VAL 22 N -1.12 0.40 0.55 0.00 3.04 -0.66 0.21 116.25 118.67 1rhw h VAL 22 Ca -0.10 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 1rhw h VAL 22 Cb 0.75 0.66 0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1rhw h VAL 22 CO 0.16 0.00 -0.26 0.44 -1.01 0.00 0.00 177.57 176.90 1rhw h ASP 23 N 0.00 -0.63 -0.04 3.17 3.32 0.61 0.26 116.42 123.11 1rhw h ASP 23 Ca 0.19 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1rhw h ASP 23 Cb 1.05 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1rhw h ASP 23 CO -0.00 -0.38 0.04 0.00 -1.72 0.00 0.00 179.24 177.18 1rhw n ALA 25 N -2.39 -0.28 -0.12 0.00 0.00 0.64 0.21 120.51 118.57 1rhw n ALA 25 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1rhw n ALA 25 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.60 1rhw n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rhw h THR 26 N 0.00 0.43 -0.45 0.00 1.03 -0.30 -0.25 112.91 113.36 1rhw h THR 26 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.47 1rhw h THR 26 Cb 0.00 0.43 -0.06 0.00 -1.07 0.00 0.00 68.15 67.45 1rhw h THR 26 CO 0.00 0.00 0.12 1.56 -0.01 0.00 0.00 175.52 177.19 1rhw h GLN 27 N -0.10 0.26 -0.22 0.00 1.08 -0.83 0.63 115.11 115.92 1rhw h GLN 27 Ca 0.20 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.45 1rhw h GLN 27 Cb 0.42 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.72 1rhw h GLN 27 CO -0.49 0.17 -0.25 0.00 -0.95 0.00 0.00 178.83 177.32 1rhw h ALA 28 N 1.33 -0.16 0.00 3.87 0.00 0.14 0.43 119.26 124.87 1rhw h ALA 28 Ca 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1rhw h ALA 28 Cb 0.26 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rhw h ALA 28 CO -0.26 -0.68 -0.20 1.25 0.00 0.00 0.00 179.25 179.36 1rhw h LEU 29 N -0.26 0.00 -0.43 0.00 6.46 -0.34 1.67 115.31 122.41 1rhw h LEU 29 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1rhw h LEU 29 Cb 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1rhw h LEU 29 CO -0.38 0.20 0.00 1.21 -0.62 0.00 0.00 178.44 178.85 1rhw n GLU 30 N -3.87 1.28 0.00 1.25 2.13 0.21 -3.84 120.64 117.81 1rhw n GLU 30 Ca -0.02 -0.42 0.00 0.00 0.66 0.00 0.00 57.16 57.38 1rhw n GLU 30 Cb 0.29 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.64 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 -0.38 0.00 -3.81 5.31 4.81 0.10 -4.99 118.16 119.20 1rhw n LYS 31 Ca 0.16 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.39 1rhw n LYS 31 Cb 0.17 -0.76 -0.02 0.00 0.02 0.00 0.00 35.03 34.44 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 -1.75 3.18 -0.03 5.64 2.02 0.55 -5.03 117.35 121.93 1rhw s TYR 32 Ca 0.00 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1rhw s TYR 32 Cb 0.00 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 1rhw s TYR 32 CO 0.00 0.27 0.03 -1.71 -1.57 0.00 0.00 175.55 172.56 1rhw n ASN 33 N -1.43 4.11 -4.57 2.29 5.15 -1.26 -4.50 115.26 115.05 1rhw n ASN 33 Ca -0.05 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.52 1rhw n ASN 33 Cb 0.58 0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 40.51 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 -2.12 3.98 0.22 -1.44 1.09 -1.26 -4.84 121.20 116.83 1rhw s ILE 34 Ca -0.02 -1.15 -0.11 0.00 -1.10 0.00 0.00 60.65 58.27 1rhw s ILE 34 Cb 0.01 -5.10 0.29 0.00 -1.06 0.00 0.00 42.46 36.61 1rhw s ILE 34 CO 0.15 -1.96 1.33 -0.62 -0.10 0.00 0.00 174.94 173.74 1rhw n GLU 35 N 8.72 -0.14 -0.29 2.79 1.02 -1.26 0.25 120.64 131.73 1rhw n GLU 35 Ca 0.38 1.32 0.10 0.00 -0.02 0.00 0.00 57.16 58.95 1rhw n GLU 35 Cb 0.49 -1.96 0.25 0.00 -0.02 0.00 0.00 31.44 30.20 1rhw n GLU 35 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1rhw h LYS 36 N 0.00 0.18 0.00 3.49 3.11 -1.98 1.69 116.57 123.06 1rhw h LYS 36 Ca 0.35 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 58.06 1rhw h LYS 36 Cb 0.56 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1rhw h LYS 36 CO -0.86 0.12 -0.55 0.22 -2.81 0.00 0.00 179.45 175.57 1rhw h ASP 37 N 0.18 0.00 0.50 4.20 1.82 0.30 -0.83 116.42 122.59 1rhw h ASP 37 Ca 0.51 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.12 1rhw h ASP 37 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1rhw h ASP 37 CO -0.65 0.55 -0.24 0.40 -1.61 0.00 0.00 179.24 177.69 1rhw h ILE 38 N 0.00 0.42 -0.63 2.25 2.04 0.64 0.63 117.51 122.87 1rhw h ILE 38 Ca -0.01 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1rhw h ILE 38 Cb 1.15 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1rhw h ILE 38 CO 0.07 0.05 0.16 0.00 0.00 0.00 0.00 178.15 178.44 1rhw h ALA 39 N -0.56 1.10 -0.02 1.87 0.00 -0.03 -0.03 119.26 121.60 1rhw h ALA 39 Ca -0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1rhw h ALA 39 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1rhw h ALA 39 CO 0.11 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.67 1rhw h ALA 40 N 1.24 1.47 0.00 0.00 0.00 -1.05 -1.20 119.26 119.73 1rhw h ALA 40 Ca 0.20 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1rhw h ALA 40 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rhw h ALA 40 CO -0.00 0.39 -0.92 -0.92 0.00 0.00 0.00 179.25 177.81 1rhw h TYR 41 N 0.03 0.49 0.34 0.00 5.03 0.14 -0.29 116.97 122.71 1rhw h TYR 41 Ca 0.00 -0.27 -0.02 0.00 2.58 0.00 0.00 58.73 61.03 1rhw h TYR 41 Cb 0.55 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1rhw h TYR 41 CO 0.00 1.08 -0.16 0.82 -1.32 0.00 0.00 178.16 178.58 1rhw h ILE 42 N 0.19 0.59 -0.02 1.81 2.04 -0.54 0.85 117.51 122.43 1rhw h ILE 42 Ca -0.07 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1rhw h ILE 42 Cb 1.55 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1rhw h ILE 42 CO 0.15 0.11 0.01 0.50 0.00 0.00 0.00 178.15 178.92 1rhw h LYS 43 N -0.85 0.03 -0.78 2.37 3.11 -1.33 -0.23 116.57 118.90 1rhw h LYS 43 Ca -0.05 -0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1rhw h LYS 43 Cb 0.53 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.71 1rhw h LYS 43 CO 0.08 0.04 0.51 -0.22 -2.81 0.00 0.00 179.45 177.05 1rhw h LYS 44 N 0.00 1.01 -0.33 1.90 3.64 -1.08 0.81 116.57 122.52 1rhw h LYS 44 Ca 0.01 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1rhw h LYS 44 Cb 0.02 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.57 1rhw h LYS 44 CO -0.00 0.67 0.05 1.49 -2.27 0.00 0.00 179.45 179.39 1rhw h GLU 45 N 1.04 0.16 0.03 1.90 4.57 0.13 0.12 114.58 122.54 1rhw h GLU 45 Ca 0.29 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1rhw h GLU 45 Cb -0.11 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1rhw h GLU 45 CO -0.07 0.11 -0.02 0.74 -1.18 0.00 0.00 179.01 178.59 1rhw h PHE 46 N 0.17 -0.04 -1.27 0.92 0.04 -0.48 -3.28 116.94 112.99 1rhw h PHE 46 Ca 0.16 -0.00 0.41 0.00 2.80 0.00 0.00 57.97 61.34 1rhw h PHE 46 Cb 0.19 0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.25 1rhw h PHE 46 CO -0.19 -0.03 0.86 -0.40 -0.60 0.00 0.00 178.31 177.95 1rhw n ASP 47 N -2.41 0.11 0.00 2.17 5.75 0.28 -1.32 116.55 121.13 1rhw n ASP 47 Ca -0.01 1.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.78 1rhw n ASP 47 Cb 0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1rhw n ASP 47 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1rhw n LYS 48 N -4.03 0.00 -3.22 0.11 3.00 0.03 -3.62 118.16 110.43 1rhw n LYS 48 Ca 0.34 0.48 -0.24 0.00 -0.00 0.00 0.00 58.31 58.89 1rhw n LYS 48 Cb 1.38 -0.85 -0.06 0.00 0.00 0.00 0.00 35.03 35.50 1rhw n LYS 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1rhw n LYS 49 N -1.39 1.47 0.04 1.64 3.00 -0.44 -4.88 118.16 117.59 1rhw n LYS 49 Ca 0.00 -3.77 0.00 0.00 -0.00 0.00 0.00 58.31 54.54 1rhw n LYS 49 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.36 1rhw n LYS 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1rhw n TYR 50 N 0.87 -0.83 -2.67 5.64 9.36 -0.99 -5.05 117.16 123.49 1rhw n TYR 50 Ca 0.25 0.13 -0.04 0.00 3.32 0.00 0.00 57.90 61.56 1rhw n TYR 50 Cb 0.51 0.60 0.06 0.00 -0.63 0.00 0.00 39.34 39.88 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 -2.73 -1.41 -4.82 2.98 5.15 -1.26 -5.04 115.26 108.14 1rhw n ASN 51 Ca 0.00 -1.63 -0.31 0.00 -0.60 0.00 0.00 54.58 52.04 1rhw n ASN 51 Cb 0.00 0.76 0.04 0.00 -0.53 0.00 0.00 39.78 40.05 1rhw n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rhw s PRO 52 N 0.35 3.05 0.09 1.20 0.04 -1.25 -4.44 135.00 134.04 1rhw s PRO 52 Ca 0.26 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1rhw s PRO 52 Cb 0.19 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1rhw s PRO 52 CO -0.09 -1.02 0.24 -0.08 0.04 0.00 0.00 177.00 176.09 1rhw s THR 53 N -2.92 5.36 0.06 1.26 -1.32 -1.26 -5.04 115.64 111.78 1rhw s THR 53 Ca 0.59 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 1rhw s THR 53 Cb -0.14 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1rhw s THR 53 CO 0.51 0.07 0.16 0.26 -2.21 0.00 0.00 174.62 173.40 1rhw s TRP 54 N -1.59 3.40 -0.17 9.09 0.52 -1.26 -3.92 118.94 125.01 1rhw s TRP 54 Ca 0.35 0.19 0.00 0.00 0.02 0.00 0.00 56.10 56.67 1rhw s TRP 54 Cb -0.12 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1rhw s TRP 54 CO 0.28 0.57 -0.10 -1.01 0.02 0.00 0.00 176.95 176.71 1rhw s HIS 55 N -1.44 2.10 0.16 -1.98 3.76 0.14 -4.94 115.29 113.09 1rhw s HIS 55 Ca 0.32 -1.29 0.10 0.00 -0.15 0.00 0.00 55.06 54.04 1rhw s HIS 55 Cb -0.13 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 1rhw s HIS 55 CO 0.25 -0.67 -0.19 0.00 -0.85 0.00 0.00 174.74 173.27 1rhw s ILE 57 N -1.44 0.59 -0.36 0.00 -1.09 -0.23 -4.99 121.20 113.68 1rhw s ILE 57 Ca 0.20 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1rhw s ILE 57 Cb -0.09 -0.61 0.12 0.00 -1.58 0.00 0.00 42.46 40.29 1rhw s ILE 57 CO 0.11 -0.25 0.17 -0.69 -1.23 0.00 0.00 174.94 173.04 1rhw s VAL 58 N -1.10 0.93 0.00 2.92 1.01 -1.26 -1.60 120.40 121.29 1rhw s VAL 58 Ca -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1rhw s VAL 58 Cb -0.08 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1rhw s VAL 58 CO 0.00 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.91 1rhw n GLY 59 N 4.28 1.07 0.48 4.51 0.00 -1.26 -5.04 105.19 109.23 1rhw n GLY 59 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rhw n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rhw n ARG 60 N 0.00 0.00 -3.80 1.61 3.00 -1.26 -4.65 116.66 111.56 1rhw n ARG 60 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.71 1rhw n ARG 60 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 32.46 32.27 1rhw n ARG 60 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1rhw s ASN 61 N -1.79 -0.15 -0.30 0.55 2.47 -1.26 -4.83 114.94 109.63 1rhw s ASN 61 Ca 0.00 0.12 -0.03 0.00 0.42 0.00 0.00 52.86 53.37 1rhw s ASN 61 Cb 0.00 0.34 0.10 0.00 -1.45 0.00 0.00 41.25 40.25 1rhw s ASN 61 CO 0.00 -0.34 0.13 -0.36 -3.72 0.00 0.00 177.10 172.81 1rhw s PHE 62 N -0.97 0.72 -0.40 0.43 0.08 -1.26 -5.08 117.98 111.51 1rhw s PHE 62 Ca -0.10 -1.16 0.03 0.00 0.12 0.00 0.00 56.93 55.81 1rhw s PHE 62 Cb -0.05 -1.12 0.11 0.00 -0.57 0.00 0.00 43.02 41.39 1rhw s PHE 62 CO 0.02 -0.84 0.12 0.20 -0.10 0.00 0.00 175.22 174.63 1rhw s GLY 63 N 1.89 2.08 0.00 4.36 0.00 -1.26 -4.90 107.32 109.50 1rhw s GLY 63 Ca 0.10 -2.74 0.00 0.00 0.00 0.00 0.00 44.72 42.08 1rhw s GLY 63 CO -0.31 0.97 0.00 1.44 0.00 0.00 0.00 173.10 175.20 1rhw n SER 64 N 3.98 0.00 0.00 1.64 7.64 -1.26 -5.02 113.62 120.60 1rhw n SER 64 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1rhw n SER 64 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1rhw n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rhw n TYR 65 N -0.97 0.00 -1.11 1.43 9.36 -1.26 -3.89 117.16 120.72 1rhw n TYR 65 Ca 0.00 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.99 1rhw n TYR 65 Cb 0.00 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.60 1rhw n TYR 65 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1rhw n VAL 66 N 0.00 3.51 0.10 2.97 3.14 -1.26 -2.67 118.33 124.13 1rhw n VAL 66 Ca 0.00 -1.94 0.00 0.00 -2.96 0.00 0.00 64.34 59.44 1rhw n VAL 66 Cb 0.00 -2.26 0.00 0.00 -1.06 0.00 0.00 33.84 30.52 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 3.00 0.00 -1.96 1.55 -1.04 -1.25 -4.95 114.28 109.62 1rhw n THR 67 Ca 0.58 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.30 1rhw n THR 67 Cb 0.60 -0.05 0.03 0.00 -1.82 0.00 0.00 70.33 69.09 1rhw n THR 67 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1rhw n HIS 68 N -2.93 3.03 -0.94 -1.42 8.25 -1.24 -5.06 115.22 114.90 1rhw n HIS 68 Ca 0.00 -2.61 -0.30 0.00 -0.26 0.00 0.00 57.72 54.54 1rhw n HIS 68 Cb 0.00 -0.62 0.01 0.00 1.12 0.00 0.00 29.99 30.51 1rhw n HIS 68 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1rhw n GLU 69 N -0.68 0.00 0.00 -0.41 -0.00 -1.09 -4.91 120.64 113.55 1rhw n GLU 69 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.64 1rhw n GLU 69 Cb 0.75 -0.80 0.00 0.00 -0.00 0.00 0.00 31.44 31.39 1rhw n GLU 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1rhw n THR 70 N -1.42 0.00 0.02 3.84 -2.24 -1.26 -4.97 114.28 108.25 1rhw n THR 70 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 1rhw n THR 70 Cb 0.40 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1rhw n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rhw n ARG 71 N 0.00 0.03 -3.95 -0.78 3.00 -0.78 -5.03 116.66 109.14 1rhw n ARG 71 Ca 0.00 0.01 -0.28 0.00 -0.01 0.00 0.00 57.85 57.57 1rhw n ARG 71 Cb 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 32.46 31.93 1rhw n ARG 71 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1rhw s HIS 72 N -1.63 1.77 0.09 -1.55 3.76 -1.26 -4.97 115.29 111.50 1rhw s HIS 72 Ca -0.02 -0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 53.93 1rhw s HIS 72 Cb 0.00 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 1rhw s HIS 72 CO 0.03 -0.58 0.04 -0.59 -0.85 0.00 0.00 174.74 172.79 1rhw s PHE 73 N 1.61 0.62 -0.30 1.40 -0.71 -1.26 -0.23 117.98 119.11 1rhw s PHE 73 Ca 0.05 -1.08 -0.10 0.00 -1.04 0.00 0.00 56.93 54.77 1rhw s PHE 73 Cb -0.13 -0.38 0.14 0.00 -1.21 0.00 0.00 43.02 41.44 1rhw s PHE 73 CO -0.09 -0.47 0.67 -1.50 -1.34 0.00 0.00 175.22 172.49 1rhw s ILE 74 N -3.97 -0.96 -0.26 -4.49 2.07 0.16 -4.63 121.20 109.13 1rhw s ILE 74 Ca 0.14 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1rhw s ILE 74 Cb 0.07 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.68 1rhw s ILE 74 CO -0.05 0.00 -0.02 -0.47 -1.91 0.00 0.00 174.94 172.49 1rhw s TYR 75 N 2.86 3.07 0.33 3.50 5.04 0.15 -1.59 117.35 130.72 1rhw s TYR 75 Ca -0.04 -1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 53.25 1rhw s TYR 75 Cb -0.12 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.07 1rhw s TYR 75 CO -0.19 -0.67 0.42 -0.59 -1.34 0.00 0.00 175.55 173.18 1rhw s PHE 76 N 1.39 1.20 -0.30 4.97 -0.71 -0.46 -1.05 117.98 123.02 1rhw s PHE 76 Ca 0.01 -1.37 -0.10 0.00 -1.04 0.00 0.00 56.93 54.44 1rhw s PHE 76 Cb -0.16 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 1rhw s PHE 76 CO -0.03 -1.06 0.15 -0.47 -1.34 0.00 0.00 175.22 172.47 1rhw s TYR 77 N -3.19 3.17 -0.31 3.49 5.04 -1.03 -0.75 117.35 123.78 1rhw s TYR 77 Ca 0.33 -0.42 -0.14 0.00 -2.44 0.00 0.00 57.07 54.40 1rhw s TYR 77 Cb 0.00 -2.34 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 1rhw s TYR 77 CO 0.21 -0.39 0.30 -1.17 -1.34 0.00 0.00 175.55 173.17 1rhw s LEU 78 N 1.64 4.23 0.00 6.97 2.96 0.15 -3.13 118.68 131.51 1rhw s LEU 78 Ca 0.05 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1rhw s LEU 78 Cb -0.17 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1rhw s LEU 78 CO 0.07 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1rhw n GLY 79 N 4.93 0.63 1.18 7.98 0.00 -1.26 -0.73 105.19 117.92 1rhw n GLY 79 Ca -0.11 0.64 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 1rhw n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rhw n GLN 80 N 0.00 0.00 -4.19 1.61 7.27 -1.26 -4.93 117.38 115.88 1rhw n GLN 80 Ca 0.00 -1.45 -0.12 0.00 0.07 0.00 0.00 57.00 55.51 1rhw n GLN 80 Cb 0.00 0.13 -0.10 0.00 2.41 0.00 0.00 30.24 32.68 1rhw n GLN 80 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1rhw s VAL 81 N 0.00 0.01 0.09 1.69 -7.23 0.10 -5.16 120.40 109.89 1rhw s VAL 81 Ca 0.17 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1rhw s VAL 81 Cb 0.20 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1rhw s VAL 81 CO -0.09 -0.03 0.25 0.00 -0.31 0.00 0.00 175.10 174.92 1rhw s ALA 82 N -4.15 3.97 -0.20 1.32 0.00 -1.26 0.34 121.76 121.78 1rhw s ALA 82 Ca 0.37 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1rhw s ALA 82 Cb 0.07 -1.86 0.10 0.00 0.00 0.00 0.00 23.12 21.42 1rhw s ALA 82 CO 0.11 0.76 0.39 -1.50 0.00 0.00 0.00 175.76 175.51 1rhw s ILE 83 N -1.57 -0.60 -0.31 0.00 2.07 0.07 -4.37 121.20 116.49 1rhw s ILE 83 Ca 0.36 0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.76 1rhw s ILE 83 Cb -0.13 -0.67 0.09 0.00 0.13 0.00 0.00 42.46 41.88 1rhw s ILE 83 CO 0.28 0.03 -0.00 -0.22 -1.91 0.00 0.00 174.94 173.12 1rhw s LEU 84 N 2.57 4.33 -0.05 8.50 2.96 -0.63 -1.35 118.68 135.00 1rhw s LEU 84 Ca 0.02 -1.90 -0.04 0.00 -0.22 0.00 0.00 54.13 51.99 1rhw s LEU 84 Cb -0.13 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1rhw s LEU 84 CO -0.13 -0.32 0.15 -0.22 -1.32 0.00 0.00 176.35 174.52 1rhw s LEU 85 N 0.97 4.32 -0.21 -0.68 0.20 -0.62 -1.07 118.68 121.59 1rhw s LEU 85 Ca 0.04 0.37 -0.27 0.00 0.69 0.00 0.00 54.13 54.97 1rhw s LEU 85 Cb -0.19 -2.36 0.07 0.00 -0.43 0.00 0.00 46.19 43.28 1rhw s LEU 85 CO -0.07 0.32 0.73 0.72 -0.29 0.00 0.00 176.35 177.76 1rhw s PHE 86 N -1.19 -0.73 -0.39 5.38 -0.71 0.07 0.40 117.98 120.81 1rhw s PHE 86 Ca 0.22 1.65 -0.15 0.00 -1.04 0.00 0.00 56.93 57.61 1rhw s PHE 86 Cb -0.12 0.32 0.01 0.00 -1.21 0.00 0.00 43.02 42.01 1rhw s PHE 86 CO 0.12 -0.43 0.30 0.21 -1.34 0.00 0.00 175.22 174.08 1rhw s LYS 87 N -0.08 3.16 -0.07 1.99 2.47 0.68 0.29 119.74 128.17 1rhw s LYS 87 Ca -0.03 -0.86 0.01 0.00 -1.56 0.00 0.00 55.97 53.53 1rhw s LYS 87 Cb -0.04 -3.92 0.02 0.00 -1.46 0.00 0.00 37.83 32.43 1rhw s LYS 87 CO 0.03 -0.67 -0.09 0.45 0.16 0.00 0.00 175.35 175.23 1rhw s SER 88 N 1.71 1.66 0.00 1.43 0.15 -1.25 -1.87 113.70 115.52 1rhw s SER 88 Ca 0.06 -0.25 0.20 0.00 0.70 0.00 0.00 55.95 56.66 1rhw s SER 88 Cb -0.18 -0.72 1.19 0.00 -1.71 0.00 0.00 66.02 64.59 1rhw s SER 88 CO 0.11 -0.03 1.57 0.61 1.20 0.00 0.00 173.24 176.70