#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 0.00 0.00 6.12 2.88 -1.26 -5.02 113.62 116.34 1rhw n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rhw n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1rhw n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1rhw n ASP 3 N 0.00 -0.80 -0.29 -3.46 8.00 -1.26 -4.44 116.55 114.30 1rhw n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1rhw n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1rhw n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rhw n ARG 4 N 0.00 0.03 -1.97 -1.24 1.74 -1.26 -4.99 116.66 108.97 1rhw n ARG 4 Ca 0.00 -0.81 -0.41 0.00 -0.77 0.00 0.00 57.85 55.86 1rhw n ARG 4 Cb 0.00 -0.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 1rhw n ARG 4 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rhw s LYS 5 N -0.03 3.03 0.00 5.56 2.20 -1.26 -4.22 119.74 125.02 1rhw s LYS 5 Ca 0.00 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1rhw s LYS 5 Cb 0.00 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1rhw s LYS 5 CO 0.00 -2.23 0.00 0.00 -0.36 0.00 0.00 175.35 172.76 1rhw n ALA 6 N 11.47 0.00 -0.77 3.13 0.00 -1.26 -4.89 120.51 128.20 1rhw n ALA 6 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1rhw n ALA 6 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 1rhw n ALA 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1rhw n VAL 7 N 0.00 -0.07 -3.76 0.00 0.31 -1.26 -3.80 118.33 109.76 1rhw n VAL 7 Ca 0.00 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 1rhw n VAL 7 Cb 0.00 -0.55 -0.13 0.00 -0.91 0.00 0.00 33.84 32.25 1rhw n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1rhw s ILE 8 N -2.81 -0.02 0.00 2.52 1.09 -1.26 -3.64 121.20 117.08 1rhw s ILE 8 Ca 0.00 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.63 1rhw s ILE 8 Cb 0.00 -0.35 0.00 0.00 -1.06 0.00 0.00 42.46 41.05 1rhw s ILE 8 CO 0.00 0.03 0.00 0.29 -0.10 0.00 0.00 174.94 175.16 1rhw n LYS 9 N 3.62 0.00 -4.27 2.79 4.01 -0.77 -4.97 118.16 118.56 1rhw n LYS 9 Ca -0.19 0.21 -0.20 0.00 -0.51 0.00 0.00 58.31 57.61 1rhw n LYS 9 Cb 0.56 -0.70 -0.11 0.00 -0.51 0.00 0.00 35.03 34.26 1rhw n LYS 9 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1rhw s ASN 10 N -3.51 2.26 0.00 4.39 2.47 0.94 -5.00 114.94 116.50 1rhw s ASN 10 Ca 0.00 -0.80 0.00 0.00 0.42 0.00 0.00 52.86 52.48 1rhw s ASN 10 Cb 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.70 1rhw s ASN 10 CO 0.00 -0.08 0.00 0.00 -3.72 0.00 0.00 177.10 173.30 1rhw n ALA 11 N 0.56 1.28 -3.93 1.71 0.00 -1.26 -0.17 120.51 118.69 1rhw n ALA 11 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 1rhw n ALA 11 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.32 -4.57 -1.77 0.00 10.43 -1.26 -4.41 116.55 112.64 1rhw n ASP 12 Ca 0.00 -1.15 -0.03 0.00 2.57 0.00 0.00 54.79 56.18 1rhw n ASP 12 Cb 0.00 -1.96 0.01 0.00 1.84 0.00 0.00 41.12 41.01 1rhw n ASP 12 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 1rhw n MET 13 N -4.22 0.38 -3.34 -1.24 0.00 -1.26 -4.81 117.12 102.63 1rhw n MET 13 Ca -0.16 -0.77 -0.34 0.00 0.00 0.00 0.00 57.70 56.42 1rhw n MET 13 Cb 0.60 0.99 -0.06 0.00 0.00 0.00 0.00 33.22 34.75 1rhw n MET 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1rhw s SER 14 N -1.87 6.77 0.66 3.17 0.15 -1.26 -4.89 113.70 116.44 1rhw s SER 14 Ca 0.07 1.06 0.27 0.00 0.70 0.00 0.00 55.95 58.05 1rhw s SER 14 Cb -0.02 -2.28 1.44 0.00 -1.71 0.00 0.00 66.02 63.45 1rhw s SER 14 CO 0.04 0.02 1.81 -0.08 1.20 0.00 0.00 173.24 176.23 1rhw h GLU 15 N 3.12 0.00 0.59 5.44 4.81 -2.02 0.21 114.58 126.73 1rhw h GLU 15 Ca -0.48 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1rhw h GLU 15 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1rhw h GLU 15 CO 0.67 0.00 -0.28 0.93 -0.73 0.00 0.00 179.01 179.60 1rhw h GLU 16 N 0.00 -0.76 0.14 1.92 5.08 -1.97 0.64 114.58 119.63 1rhw h GLU 16 Ca 0.01 0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.14 1rhw h GLU 16 Cb 0.86 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1rhw h GLU 16 CO -0.00 -0.47 -1.28 0.52 -1.00 0.00 0.00 179.01 176.78 1rhw h MET 17 N -0.88 0.30 -0.24 2.33 2.86 -1.47 -1.37 114.93 116.46 1rhw h MET 17 Ca -0.08 -0.51 -0.03 0.00 -2.06 0.00 0.00 59.70 57.02 1rhw h MET 17 Cb 0.64 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1rhw h MET 17 CO 0.13 1.24 0.05 0.37 1.06 0.00 0.00 176.91 179.76 1rhw h GLN 18 N 0.08 0.39 0.16 1.72 4.15 -0.71 0.47 115.11 121.38 1rhw h GLN 18 Ca -0.15 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1rhw h GLN 18 Cb 2.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.64 1rhw h GLN 18 CO 0.21 0.52 -0.08 0.37 -1.93 0.00 0.00 178.83 177.92 1rhw h GLN 19 N 0.21 -0.21 -0.29 1.69 -0.00 0.20 -0.46 115.11 116.24 1rhw h GLN 19 Ca 0.07 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.79 1rhw h GLN 19 Cb 0.31 0.05 -0.05 0.00 0.00 0.00 0.00 27.48 27.79 1rhw h GLN 19 CO 0.00 0.22 -0.05 0.22 0.00 0.00 0.00 178.83 179.22 1rhw h ASP 20 N -0.79 -0.22 0.03 -0.69 1.82 -1.29 0.25 116.42 115.54 1rhw h ASP 20 Ca -0.02 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1rhw h ASP 20 Cb 0.53 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1rhw h ASP 20 CO 0.04 -0.07 -0.02 0.00 -1.61 0.00 0.00 179.24 177.57 1rhw h ALA 21 N 1.28 -0.89 -1.13 -0.78 0.00 -0.10 -1.19 119.26 116.45 1rhw h ALA 21 Ca 0.14 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.37 1rhw h ALA 21 Cb 0.21 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1rhw h ALA 21 CO -0.28 -0.89 1.10 -0.24 0.00 0.00 0.00 179.25 178.94 1rhw h VAL 22 N -0.05 0.10 0.58 0.00 3.04 -0.96 0.84 116.25 119.80 1rhw h VAL 22 Ca -0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1rhw h VAL 22 Cb 0.04 0.15 0.01 0.00 -2.01 0.00 0.00 31.29 29.48 1rhw h VAL 22 CO 0.00 0.00 -0.28 -0.78 -1.01 0.00 0.00 177.57 175.51 1rhw h ASP 23 N 0.00 -0.66 -0.15 3.17 -0.00 0.63 0.47 116.42 119.88 1rhw h ASP 23 Ca 0.54 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.03 57.50 1rhw h ASP 23 Cb 2.73 0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 42.22 1rhw h ASP 23 CO -0.01 -0.30 -0.00 0.00 -0.00 0.00 0.00 179.24 178.93 1rhw n ALA 25 N -2.49 -0.32 -0.17 0.00 0.00 0.12 0.29 120.51 117.94 1rhw n ALA 25 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1rhw n ALA 25 Cb 0.21 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.70 1rhw n ALA 25 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rhw h THR 26 N 0.00 0.43 -0.43 0.00 1.35 -0.04 0.26 112.91 114.47 1rhw h THR 26 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 1rhw h THR 26 Cb 0.00 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 66.79 1rhw h THR 26 CO 0.00 0.00 0.08 -0.61 -0.25 0.00 0.00 175.52 174.74 1rhw h GLN 27 N -0.03 0.20 -0.27 4.72 4.15 -0.54 0.65 115.11 123.99 1rhw h GLN 27 Ca 0.25 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.72 1rhw h GLN 27 Cb 0.41 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.98 1rhw h GLN 27 CO -0.55 0.13 -0.24 0.00 -1.93 0.00 0.00 178.83 176.24 1rhw h ALA 28 N 1.34 -0.10 0.00 3.38 0.00 0.18 0.45 119.26 124.51 1rhw h ALA 28 Ca 0.21 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1rhw h ALA 28 Cb 0.27 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1rhw h ALA 28 CO -0.28 -0.66 -0.19 1.25 0.00 0.00 0.00 179.25 179.37 1rhw h LEU 29 N -0.23 0.00 -0.95 0.00 6.46 -0.37 2.30 115.31 122.52 1rhw h LEU 29 Ca 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 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 -0.40 0.19 0.00 1.21 -0.62 0.00 0.00 178.44 178.81 1rhw n GLU 30 N -3.71 1.61 0.00 1.25 0.00 0.22 -4.00 120.64 116.00 1rhw n GLU 30 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 57.16 56.35 1rhw n GLU 30 Cb 0.30 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1rhw n GLU 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1rhw n LYS 31 N 0.13 0.00 -2.95 5.31 4.81 0.15 -4.98 118.16 120.64 1rhw n LYS 31 Ca 0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.30 1rhw n LYS 31 Cb 0.24 -0.30 0.02 0.00 0.02 0.00 0.00 35.03 35.01 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 -1.41 3.09 0.00 5.64 1.51 0.76 -5.02 117.35 121.92 1rhw s TYR 32 Ca 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1rhw s TYR 32 Cb 0.00 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1rhw s TYR 32 CO 0.00 -0.46 0.62 -1.71 -1.11 0.00 0.00 175.55 172.89 1rhw n ASN 33 N -2.09 0.81 -3.96 2.29 5.15 -1.26 -4.55 115.26 111.66 1rhw n ASN 33 Ca 0.03 -1.36 -0.30 0.00 -0.60 0.00 0.00 54.58 52.35 1rhw n ASN 33 Cb 0.58 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.69 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 -0.36 2.26 0.27 -1.44 1.01 -1.26 -4.97 121.20 116.71 1rhw s ILE 34 Ca 0.00 -2.68 0.04 0.00 0.00 0.00 0.00 60.65 58.01 1rhw s ILE 34 Cb 0.00 -2.62 0.34 0.00 0.01 0.00 0.00 42.46 40.19 1rhw s ILE 34 CO 0.00 -0.70 1.32 -0.62 0.00 0.00 0.00 174.94 174.94 1rhw n GLU 35 N 3.80 -0.06 -0.13 2.79 4.71 -1.26 0.23 120.64 130.71 1rhw n GLU 35 Ca 0.04 1.24 -0.05 0.00 -0.01 0.00 0.00 57.16 58.39 1rhw n GLU 35 Cb 0.38 -2.02 0.02 0.00 -1.01 0.00 0.00 31.44 28.81 1rhw n GLU 35 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1rhw h LYS 36 N 0.00 -0.04 0.00 3.49 1.79 -1.99 0.57 116.57 120.39 1rhw h LYS 36 Ca 0.55 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.94 1rhw h LYS 36 Cb 1.20 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 1rhw h LYS 36 CO -0.77 -0.03 -0.37 -0.44 -1.08 0.00 0.00 179.45 176.77 1rhw h ASP 37 N -0.04 0.00 0.38 0.86 3.45 0.24 -0.23 116.42 121.08 1rhw h ASP 37 Ca 0.20 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.65 1rhw h ASP 37 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1rhw h ASP 37 CO -0.45 0.37 -0.18 0.40 -1.57 0.00 0.00 179.24 177.80 1rhw h ILE 38 N 0.00 0.00 -0.55 0.35 2.04 0.39 0.45 117.51 120.19 1rhw h ILE 38 Ca -0.00 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1rhw h ILE 38 Cb 0.83 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1rhw h ILE 38 CO 0.05 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.56 1rhw h ALA 39 N -1.66 1.75 -0.20 1.87 0.00 -0.14 0.17 119.26 121.06 1rhw h ALA 39 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1rhw h ALA 39 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1rhw h ALA 39 CO 0.09 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.33 1rhw h ALA 40 N 1.68 1.30 0.01 0.00 0.00 -0.95 -0.73 119.26 120.58 1rhw h ALA 40 Ca 0.22 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1rhw h ALA 40 Cb 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rhw h ALA 40 CO -0.06 0.47 -0.94 -0.92 0.00 0.00 0.00 179.25 177.80 1rhw h TYR 41 N 0.32 0.50 0.63 0.00 5.03 0.26 -0.72 116.97 122.99 1rhw h TYR 41 Ca 0.06 -0.28 -0.03 0.00 2.58 0.00 0.00 58.73 61.06 1rhw h TYR 41 Cb 0.52 -0.05 0.01 0.00 1.55 0.00 0.00 36.73 38.75 1rhw h TYR 41 CO 0.01 1.10 -0.30 0.82 -1.32 0.00 0.00 178.16 178.47 1rhw h ILE 42 N 0.18 0.00 -0.03 1.81 2.04 -0.49 0.77 117.51 121.79 1rhw h ILE 42 Ca -0.07 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1rhw h ILE 42 Cb 1.58 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1rhw h ILE 42 CO 0.16 0.00 -0.09 0.50 0.00 0.00 0.00 178.15 178.71 1rhw h LYS 43 N -1.16 -0.14 -0.94 2.37 3.11 -1.26 0.73 116.57 119.27 1rhw h LYS 43 Ca -0.09 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1rhw h LYS 43 Cb 0.64 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.85 1rhw h LYS 43 CO 0.14 -0.10 0.60 -0.22 -2.81 0.00 0.00 179.45 177.07 1rhw h LYS 44 N -0.15 1.09 -0.28 1.90 3.11 -1.18 0.81 116.57 121.88 1rhw h LYS 44 Ca 0.05 -0.07 0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1rhw h LYS 44 Cb 0.21 -0.25 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 1rhw h LYS 44 CO -0.12 0.72 0.11 1.49 -2.81 0.00 0.00 179.45 178.84 1rhw h GLU 45 N 1.12 0.24 0.00 1.90 4.57 0.16 0.41 114.58 122.98 1rhw h GLU 45 Ca 0.40 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1rhw h GLU 45 Cb 0.11 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1rhw h GLU 45 CO -0.15 0.16 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 1rhw n PHE 46 N -5.01 0.00 -0.26 0.92 3.01 0.15 -3.75 117.46 112.51 1rhw n PHE 46 Ca -0.01 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.69 1rhw n PHE 46 Cb 0.09 -0.49 0.44 0.00 -0.01 0.00 0.00 39.48 39.50 1rhw n PHE 46 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1rhw n ASP 47 N -1.98 0.22 0.00 4.37 5.68 0.27 -1.25 116.55 123.86 1rhw n ASP 47 Ca 0.00 1.36 0.00 0.00 -0.50 0.00 0.00 54.79 55.65 1rhw n ASP 47 Cb 0.00 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 1rhw n ASP 47 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1rhw n LYS 48 N -4.89 0.00 -3.27 0.11 4.81 0.13 -3.59 118.16 111.46 1rhw n LYS 48 Ca 0.29 0.42 -0.25 0.00 -0.87 0.00 0.00 58.31 57.90 1rhw n LYS 48 Cb 0.98 -0.75 -0.08 0.00 0.02 0.00 0.00 35.03 35.20 1rhw n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1rhw n LYS 49 N -1.40 1.12 0.00 1.64 3.00 -0.38 -4.90 118.16 117.24 1rhw n LYS 49 Ca 0.00 -3.58 0.00 0.00 -0.00 0.00 0.00 58.31 54.73 1rhw n LYS 49 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.52 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 1.39 -0.95 -2.67 5.64 4.19 -0.73 -5.01 117.16 119.02 1rhw n TYR 50 Ca 0.24 0.02 -0.04 0.00 3.31 0.00 0.00 57.90 61.43 1rhw n TYR 50 Cb 0.49 0.53 0.06 0.00 0.49 0.00 0.00 39.34 40.91 1rhw n TYR 50 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1rhw n ASN 51 N -2.52 -1.39 -4.82 2.98 2.85 -1.26 -5.03 115.26 106.07 1rhw n ASN 51 Ca 0.00 -1.45 -0.31 0.00 -0.11 0.00 0.00 54.58 52.71 1rhw n ASN 51 Cb 0.00 0.73 0.05 0.00 1.24 0.00 0.00 39.78 41.80 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 0.48 2.93 0.11 1.20 0.04 -1.25 -4.49 135.00 134.02 1rhw s PRO 52 Ca 0.25 0.95 0.02 0.00 0.04 0.00 0.00 61.00 62.25 1rhw s PRO 52 Cb 0.17 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1rhw s PRO 52 CO -0.09 -1.10 0.25 -0.08 0.04 0.00 0.00 177.00 176.01 1rhw s THR 53 N -3.05 5.32 0.24 1.26 -1.32 -1.26 -5.05 115.64 111.77 1rhw s THR 53 Ca 0.58 -0.57 0.06 0.00 -1.21 0.00 0.00 61.69 60.55 1rhw s THR 53 Cb -0.14 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 1rhw s THR 53 CO 0.55 0.01 0.23 0.26 -2.21 0.00 0.00 174.62 173.46 1rhw s TRP 54 N -1.64 3.21 -0.08 9.09 0.52 -1.26 -4.25 118.94 124.53 1rhw s TRP 54 Ca 0.35 -0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.36 1rhw s TRP 54 Cb -0.12 -1.46 0.04 0.00 -1.15 0.00 0.00 33.47 30.78 1rhw s TRP 54 CO 0.28 0.50 0.09 -1.01 0.02 0.00 0.00 176.95 176.83 1rhw s HIS 55 N -2.04 0.04 0.21 -1.98 3.76 0.94 -4.99 115.29 111.23 1rhw s HIS 55 Ca 0.33 0.19 0.10 0.00 -0.15 0.00 0.00 55.06 55.53 1rhw s HIS 55 Cb -0.08 -0.49 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 1rhw s HIS 55 CO 0.26 -0.29 -0.19 0.00 -0.85 0.00 0.00 174.74 173.67 1rhw s ILE 57 N -2.27 0.80 -0.68 0.00 -1.09 0.00 -4.97 121.20 113.00 1rhw s ILE 57 Ca 0.22 -1.61 0.05 0.00 -2.23 0.00 0.00 60.65 57.09 1rhw s ILE 57 Cb -0.05 -1.30 0.18 0.00 -1.58 0.00 0.00 42.46 39.71 1rhw s ILE 57 CO 0.10 -0.60 0.51 0.55 -1.23 0.00 0.00 174.94 174.26 1rhw n VAL 58 N 0.58 1.46 0.00 2.92 3.14 -1.26 -1.55 118.33 123.62 1rhw n VAL 58 Ca -0.16 -4.78 0.00 0.00 -2.96 0.00 0.00 64.34 56.44 1rhw n VAL 58 Cb 0.58 -2.13 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 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 1.91 1.39 0.59 7.55 0.00 -1.25 -4.92 105.19 110.47 1rhw n GLY 59 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.78 1.61 1.74 -1.26 -3.98 116.66 110.99 1rhw n ARG 60 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1rhw n ARG 60 Cb 0.00 -0.09 -0.07 0.00 -1.02 0.00 0.00 32.46 31.28 1rhw n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1rhw s ASN 61 N -1.85 -0.07 0.00 0.55 3.84 -1.26 -4.94 114.94 111.22 1rhw s ASN 61 Ca 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 52.86 52.77 1rhw s ASN 61 Cb 0.00 0.35 0.00 0.00 -0.55 0.00 0.00 41.25 41.05 1rhw s ASN 61 CO 0.00 -0.64 0.00 0.49 -2.79 0.00 0.00 177.10 174.16 1rhw n PHE 62 N 0.44 0.00 0.00 0.43 3.01 -1.26 -5.17 117.46 114.91 1rhw n PHE 62 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1rhw n PHE 62 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1rhw n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rhw n GLY 63 N 0.00 1.54 5.50 1.37 0.00 -1.26 -5.07 105.19 107.28 1rhw n GLY 63 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1rhw n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rhw n SER 64 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.82 113.62 116.79 1rhw n SER 64 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1rhw n SER 64 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -1.23 1.43 9.36 -1.26 0.09 117.16 125.55 1rhw n TYR 65 Ca 0.00 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.02 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 3.34 0.17 2.97 3.14 -1.26 -1.92 118.33 124.77 1rhw n VAL 66 Ca 0.00 -2.20 0.00 0.00 -2.96 0.00 0.00 64.34 59.18 1rhw n VAL 66 Cb 0.00 -1.94 0.00 0.00 -1.06 0.00 0.00 33.84 30.84 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 2.07 0.00 -0.06 1.55 -1.04 0.11 -4.96 114.28 111.96 1rhw n THR 67 Ca 0.49 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.33 1rhw n THR 67 Cb 0.71 -0.16 -0.14 0.00 -1.82 0.00 0.00 70.33 68.92 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 -3.27 0.63 -1.49 -1.42 8.25 -1.24 -5.09 115.22 111.59 1rhw n HIS 68 Ca 0.00 0.16 0.08 0.00 -0.26 0.00 0.00 57.72 57.70 1rhw n HIS 68 Cb 0.00 -1.09 -0.05 0.00 1.12 0.00 0.00 29.99 29.97 1rhw n HIS 68 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rhw n GLU 69 N -3.25 -3.52 0.00 -0.41 1.02 -0.81 -5.02 120.64 108.66 1rhw n GLU 69 Ca -0.35 2.80 0.00 0.00 -0.02 0.00 0.00 57.16 59.60 1rhw n GLU 69 Cb 1.04 -3.77 0.00 0.00 -0.02 0.00 0.00 31.44 28.69 1rhw n GLU 69 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rhw n THR 70 N -3.44 0.00 0.01 2.62 -2.24 -1.26 -4.97 114.28 105.00 1rhw n THR 70 Ca -0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rhw n THR 70 Cb 0.55 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.01 -3.83 -0.78 3.00 -0.73 -5.01 116.66 109.31 1rhw n ARG 71 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.58 1rhw n ARG 71 Cb 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 32.46 32.10 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 -1.34 1.19 0.06 -1.55 3.76 -1.25 -4.97 115.29 111.18 1rhw s HIS 72 Ca -0.00 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1rhw s HIS 72 Cb 0.00 -1.07 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 1rhw s HIS 72 CO 0.01 -0.48 -0.04 -0.59 -0.85 0.00 0.00 174.74 172.78 1rhw s PHE 73 N 1.80 0.58 -0.30 1.40 -0.71 -1.26 -0.22 117.98 119.27 1rhw s PHE 73 Ca 0.03 -0.96 -0.09 0.00 -1.04 0.00 0.00 56.93 54.87 1rhw s PHE 73 Cb -0.14 -0.40 0.14 0.00 -1.21 0.00 0.00 43.02 41.42 1rhw s PHE 73 CO -0.07 -0.30 0.67 -1.50 -1.34 0.00 0.00 175.22 172.68 1rhw s ILE 74 N -3.52 -0.96 -0.26 -4.49 2.07 0.15 -4.49 121.20 109.70 1rhw s ILE 74 Ca 0.05 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1rhw s ILE 74 Cb 0.05 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.66 1rhw s ILE 74 CO -0.08 0.00 -0.00 -0.47 -1.91 0.00 0.00 174.94 172.48 1rhw s TYR 75 N 2.86 3.09 0.34 3.50 5.04 0.76 -1.51 117.35 131.43 1rhw s TYR 75 Ca -0.02 -1.29 0.03 0.00 -2.44 0.00 0.00 57.07 53.34 1rhw s TYR 75 Cb -0.12 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 1rhw s TYR 75 CO -0.19 -0.66 0.38 1.97 -1.34 0.00 0.00 175.55 175.71 1rhw n PHE 76 N 4.75 -1.12 -3.76 4.97 -1.74 -0.49 -0.04 117.46 120.03 1rhw n PHE 76 Ca -0.16 -2.52 -0.37 0.00 -0.56 0.00 0.00 57.45 53.84 1rhw n PHE 76 Cb 0.48 0.42 -0.13 0.00 1.52 0.00 0.00 39.48 41.77 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 -3.13 3.09 -0.50 2.97 5.04 -1.24 -1.19 117.35 122.40 1rhw s TYR 77 Ca 0.34 -0.63 -0.18 0.00 -2.44 0.00 0.00 57.07 54.16 1rhw s TYR 77 Cb 0.00 -2.24 0.06 0.00 0.35 0.00 0.00 41.96 40.14 1rhw s TYR 77 CO 0.24 -0.44 0.58 -1.17 -1.34 0.00 0.00 175.55 173.42 1rhw s LEU 78 N 1.57 5.08 0.00 6.97 2.96 0.21 -4.19 118.68 131.28 1rhw s LEU 78 Ca 0.05 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 1rhw s LEU 78 Cb -0.16 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1rhw s LEU 78 CO 0.03 -0.84 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 1rhw n GLY 79 N 5.17 1.07 0.85 7.98 0.00 -1.26 -1.05 105.19 117.95 1rhw n GLY 79 Ca -0.08 0.52 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 1rhw n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rhw n GLN 80 N 0.00 0.00 -4.08 1.61 6.02 -1.26 -4.67 117.38 115.00 1rhw n GLN 80 Ca 0.00 -1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 55.85 1rhw n GLN 80 Cb 0.00 -0.05 -0.12 0.00 1.02 0.00 0.00 30.24 31.10 1rhw n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rhw s VAL 81 N 0.00 0.60 0.21 5.09 1.01 -0.21 -5.14 120.40 121.95 1rhw s VAL 81 Ca 0.08 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 1rhw s VAL 81 Cb 0.10 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.75 1rhw s VAL 81 CO -0.04 -0.34 0.78 0.00 0.00 0.00 0.00 175.10 175.49 1rhw s ALA 82 N -1.31 3.40 -0.15 5.51 0.00 -1.26 0.64 121.76 128.61 1rhw s ALA 82 Ca -0.09 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 1rhw s ALA 82 Cb -0.10 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.17 1rhw s ALA 82 CO 0.01 0.29 0.27 -1.50 0.00 0.00 0.00 175.76 174.83 1rhw s ILE 83 N -1.37 -0.42 -0.25 0.00 2.07 -0.33 -3.77 121.20 117.12 1rhw s ILE 83 Ca 0.41 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 1rhw s ILE 83 Cb -0.20 -0.51 0.06 0.00 0.13 0.00 0.00 42.46 41.94 1rhw s ILE 83 CO 0.24 0.05 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.02 1rhw s LEU 84 N 2.42 3.02 -0.01 8.50 0.20 -0.59 -1.40 118.68 130.83 1rhw s LEU 84 Ca 0.03 -1.31 -0.01 0.00 0.69 0.00 0.00 54.13 53.53 1rhw s LEU 84 Cb -0.13 -1.35 -0.04 0.00 -0.43 0.00 0.00 46.19 44.24 1rhw s LEU 84 CO -0.10 -0.22 0.10 -0.22 -0.29 0.00 0.00 176.35 175.62 1rhw s LEU 85 N 1.25 3.98 -0.21 -0.68 2.96 -0.57 -0.82 118.68 124.60 1rhw s LEU 85 Ca -0.07 0.18 -0.27 0.00 -0.22 0.00 0.00 54.13 53.76 1rhw s LEU 85 Cb -0.19 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.24 1rhw s LEU 85 CO -0.06 0.27 0.74 0.72 -1.32 0.00 0.00 176.35 176.70 1rhw s PHE 86 N -1.21 -0.72 -0.44 5.38 -0.12 0.18 0.30 117.98 121.35 1rhw s PHE 86 Ca 0.23 1.62 -0.08 0.00 -0.05 0.00 0.00 56.93 58.65 1rhw s PHE 86 Cb -0.12 0.32 0.10 0.00 -0.63 0.00 0.00 43.02 42.69 1rhw s PHE 86 CO 0.15 -0.43 0.28 0.21 -0.05 0.00 0.00 175.22 175.38 1rhw s LYS 87 N -0.10 2.44 -0.17 1.99 2.47 0.69 -0.04 119.74 127.02 1rhw s LYS 87 Ca -0.03 -1.65 -0.02 0.00 -1.56 0.00 0.00 55.97 52.71 1rhw s LYS 87 Cb -0.04 -3.79 0.05 0.00 -1.46 0.00 0.00 37.83 32.59 1rhw s LYS 87 CO 0.03 -1.07 -0.00 -1.54 0.16 0.00 0.00 175.35 172.92 1rhw s SER 88 N 2.29 2.74 0.00 1.43 1.04 -1.26 -1.78 113.70 118.16 1rhw s SER 88 Ca 0.05 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1rhw s SER 88 Cb -0.24 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1rhw s SER 88 CO -0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.58