#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwj s SER 2 N 0.00 6.89 -0.45 6.12 0.15 -1.26 -4.99 113.70 120.17 1pwj s SER 2 Ca 0.00 1.10 0.04 0.00 0.70 0.00 0.00 55.95 57.79 1pwj s SER 2 Cb 0.00 -2.30 0.60 0.00 -1.71 0.00 0.00 66.02 62.62 1pwj s SER 2 CO 0.00 0.22 1.83 0.47 1.20 0.00 0.00 173.24 176.96 1pwj n ASP 3 N 1.36 4.05 -1.73 5.45 9.92 -1.26 -4.96 116.55 129.39 1pwj n ASP 3 Ca -0.09 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 1pwj n ASP 3 Cb 0.52 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 1pwj n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1pwj n ARG 4 N -1.10 2.16 -3.01 -1.24 5.12 -1.26 -5.09 116.66 112.23 1pwj n ARG 4 Ca 0.55 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 56.27 1pwj n ARG 4 Cb 1.40 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 32.68 1pwj n ARG 4 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1pwj n LYS 5 N -0.10 1.69 -2.78 5.56 5.02 -1.26 -4.50 118.16 121.79 1pwj n LYS 5 Ca 0.00 -3.79 -0.01 0.00 -2.02 0.00 0.00 58.31 52.49 1pwj n LYS 5 Cb 0.00 -1.80 0.02 0.00 -0.02 0.00 0.00 35.03 33.22 1pwj n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwj s ALA 6 N -2.85 -3.79 -0.03 7.82 0.00 -1.25 -4.50 121.76 117.16 1pwj s ALA 6 Ca 0.41 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1pwj s ALA 6 Cb 0.35 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1pwj s ALA 6 CO -0.08 -2.43 -0.11 0.08 0.00 0.00 0.00 175.76 173.22 1pwj s VAL 7 N 1.34 0.93 -0.58 0.00 1.01 -0.83 -5.01 120.40 117.27 1pwj s VAL 7 Ca 0.21 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1pwj s VAL 7 Cb 0.06 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.76 1pwj s VAL 7 CO -0.10 0.29 0.48 -0.63 0.00 0.00 0.00 175.10 175.14 1pwj s ILE 8 N 0.19 4.72 0.39 2.22 1.09 -1.26 0.11 121.20 128.66 1pwj s ILE 8 Ca -0.04 -1.98 0.38 0.00 -1.10 0.00 0.00 60.65 57.91 1pwj s ILE 8 Cb -0.10 -4.03 0.38 0.00 -1.06 0.00 0.00 42.46 37.65 1pwj s ILE 8 CO 0.01 -0.87 2.16 0.11 -0.10 0.00 0.00 174.94 176.25 1pwj h LYS 9 N 8.28 0.00 0.00 2.79 1.57 -1.93 -3.44 116.57 123.84 1pwj h LYS 9 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1pwj h LYS 9 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1pwj h LYS 9 CO 0.87 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.04 1pwj n ASN 10 N -2.86 0.00 -3.67 0.86 5.15 -1.26 -5.08 115.26 108.40 1pwj n ASN 10 Ca -0.02 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.83 1pwj n ASN 10 Cb 0.08 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.25 1pwj n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pwj s ALA 11 N -0.60 -1.48 -0.01 5.20 0.00 -1.26 -1.45 121.76 122.16 1pwj s ALA 11 Ca 0.00 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1pwj s ALA 11 Cb 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1pwj s ALA 11 CO 0.00 -0.29 0.74 -3.47 0.00 0.00 0.00 175.76 172.74 1pwj n ASP 12 N 2.97 0.63 -1.78 0.00 2.03 -1.24 -4.82 116.55 114.34 1pwj n ASP 12 Ca -0.15 -1.53 -0.15 0.00 0.52 0.00 0.00 54.79 53.48 1pwj n ASP 12 Cb 0.56 -0.06 0.07 0.00 -0.72 0.00 0.00 41.12 40.97 1pwj n ASP 12 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1pwj n MET 13 N -0.22 1.77 -1.73 -0.67 1.56 -0.94 -4.82 117.12 112.08 1pwj n MET 13 Ca 0.01 -1.68 0.00 0.00 -0.27 0.00 0.00 57.70 55.76 1pwj n MET 13 Cb 0.48 -1.66 0.00 0.00 2.15 0.00 0.00 33.22 34.19 1pwj n MET 13 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1pwj n SER 14 N -0.13 -6.43 -0.14 6.12 2.88 -1.26 -3.76 113.62 110.91 1pwj n SER 14 Ca 0.33 1.05 0.13 0.00 -1.33 0.00 0.00 58.87 59.04 1pwj n SER 14 Cb 0.89 -3.48 0.23 0.00 -0.75 0.00 0.00 64.21 61.10 1pwj n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwj n GLU 15 N 1.09 -0.02 -0.23 -1.46 1.02 -1.26 0.15 120.64 119.93 1pwj n GLU 15 Ca 0.00 0.51 0.03 0.00 -0.02 0.00 0.00 57.16 57.68 1pwj n GLU 15 Cb 0.00 -0.94 0.15 0.00 -0.02 0.00 0.00 31.44 30.63 1pwj n GLU 15 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pwj h ASP 16 N 0.00 0.12 0.90 1.62 5.19 -2.00 0.23 116.42 122.48 1pwj h ASP 16 Ca 0.33 0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.81 1pwj h ASP 16 Cb 0.91 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 1pwj h ASP 16 CO -0.27 0.04 -0.17 0.24 -3.12 0.00 0.00 179.24 175.96 1pwj h MET 17 N 0.34 0.00 -0.26 3.56 2.86 0.12 0.28 114.93 121.83 1pwj h MET 17 Ca 0.37 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.84 1pwj h MET 17 Cb 0.56 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1pwj h MET 17 CO -0.42 0.17 -0.51 1.96 1.06 0.00 0.00 176.91 179.18 1pwj h GLN 18 N 0.00 0.71 0.12 1.72 4.20 -0.62 0.68 115.11 121.92 1pwj h GLN 18 Ca -0.00 -0.43 -0.27 0.00 0.06 0.00 0.00 58.65 58.01 1pwj h GLN 18 Cb 0.67 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1pwj h GLN 18 CO 0.02 1.05 -1.26 0.37 -0.67 0.00 0.00 178.83 178.35 1pwj h GLN 19 N 0.56 0.24 0.02 1.46 4.15 -0.83 -2.31 115.11 118.40 1pwj h GLN 19 Ca 0.02 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1pwj h GLN 19 Cb 1.07 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1pwj h GLN 19 CO 0.10 1.19 -0.01 0.22 -1.93 0.00 0.00 178.83 178.40 1pwj h ASP 20 N 0.07 -0.03 0.25 -0.69 3.58 -0.40 -2.11 116.42 117.09 1pwj h ASP 20 Ca -0.14 -0.68 -0.01 0.00 0.42 0.00 0.00 57.03 56.62 1pwj h ASP 20 Cb 1.96 0.01 0.00 0.00 1.72 0.00 0.00 39.33 43.02 1pwj h ASP 20 CO 0.19 0.70 -0.12 0.00 -2.88 0.00 0.00 179.24 177.13 1pwj h ALA 21 N 0.14 -0.34 -0.29 -0.78 0.00 0.24 0.60 119.26 118.83 1pwj h ALA 21 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pwj h ALA 21 Cb 0.70 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1pwj h ALA 21 CO 0.01 -0.68 0.14 0.28 0.00 0.00 0.00 179.25 179.00 1pwj h VAL 22 N -0.35 0.99 -0.31 0.00 2.07 -1.54 0.38 116.25 117.49 1pwj h VAL 22 Ca -0.03 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1pwj h VAL 22 Cb 0.27 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1pwj h VAL 22 CO 0.06 0.05 -0.18 -0.78 0.02 0.00 0.00 177.57 176.74 1pwj h ASP 23 N 0.30 0.55 -0.06 0.57 3.58 -1.26 0.74 116.42 120.84 1pwj h ASP 23 Ca 0.12 -0.17 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 1pwj h ASP 23 Cb 0.04 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1pwj h ASP 23 CO -0.08 0.75 -0.30 0.00 -2.88 0.00 0.00 179.24 176.72 1pwj h ALA 25 N 1.22 0.78 0.06 0.00 0.00 0.43 -0.88 119.26 120.87 1pwj h ALA 25 Ca 0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1pwj h ALA 25 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pwj h ALA 25 CO 0.06 0.54 -0.03 1.15 0.00 0.00 0.00 179.25 180.97 1pwj h THR 26 N 0.00 1.17 0.00 0.00 2.02 0.12 -2.46 112.91 113.76 1pwj h THR 26 Ca -0.00 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 1pwj h THR 26 Cb 1.21 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 1pwj h THR 26 CO 0.06 0.35 -0.21 0.06 0.37 0.00 0.00 175.52 176.14 1pwj h GLN 27 N -0.88 0.00 0.47 6.66 3.07 -0.51 -0.78 115.11 123.15 1pwj h GLN 27 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1pwj h GLN 27 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1pwj h GLN 27 CO 0.01 0.21 -0.23 0.00 0.09 0.00 0.00 178.83 178.92 1pwj h ALA 28 N 1.79 -0.63 0.00 0.06 0.00 -1.18 0.45 119.26 119.74 1pwj h ALA 28 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pwj h ALA 28 Cb 0.51 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pwj h ALA 28 CO 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1pwj h MET 29 N -0.92 0.00 0.05 0.00 -0.00 -1.33 0.10 114.93 112.84 1pwj h MET 29 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.51 1pwj h MET 29 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1pwj h MET 29 CO 0.11 0.00 -0.60 1.49 -0.00 0.00 0.00 176.91 177.91 1pwj h GLU 30 N 0.00 0.10 0.00 -0.10 4.81 -0.96 -3.34 114.58 115.10 1pwj h GLU 30 Ca 0.00 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1pwj h GLU 30 Cb 0.43 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1pwj h GLU 30 CO 0.00 1.09 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.63 1pwj h LYS 31 N -0.75 0.00 0.00 1.92 3.64 0.02 -3.46 116.57 117.94 1pwj h LYS 31 Ca -0.13 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1pwj h LYS 31 Cb 1.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1pwj h LYS 31 CO 0.01 0.51 -0.04 0.66 -2.27 0.00 0.00 179.45 178.32 1pwj n TYR 32 N -3.64 -0.01 -2.24 1.91 4.02 0.35 -5.08 117.16 112.47 1pwj n TYR 32 Ca -0.01 -0.23 -0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1pwj n TYR 32 Cb 0.58 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.86 1pwj n TYR 32 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1pwj n ASN 33 N -1.10 0.19 -4.60 7.72 4.05 -1.26 -4.61 115.26 115.64 1pwj n ASN 33 Ca -0.02 -1.92 -0.27 0.00 0.45 0.00 0.00 54.58 52.82 1pwj n ASN 33 Cb 0.06 -0.08 -0.11 0.00 1.23 0.00 0.00 39.78 40.88 1pwj n ASN 33 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1pwj s ILE 34 N 0.00 1.81 -0.20 -1.44 1.01 -1.26 -5.05 121.20 116.07 1pwj s ILE 34 Ca 0.17 -2.00 0.14 0.00 0.00 0.00 0.00 60.65 58.96 1pwj s ILE 34 Cb 0.19 -2.90 0.46 0.00 0.01 0.00 0.00 42.46 40.21 1pwj s ILE 34 CO -0.08 0.00 1.35 -1.84 0.00 0.00 0.00 174.94 174.37 1pwj n GLU 35 N -0.95 2.10 0.00 2.79 0.28 -1.26 -4.41 120.64 119.19 1pwj n GLU 35 Ca -0.06 -2.93 0.00 0.00 -0.16 0.00 0.00 57.16 54.02 1pwj n GLU 35 Cb 0.67 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1pwj n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pwj n LYS 36 N -0.97 0.00 0.24 3.44 5.02 -1.26 -4.60 118.16 120.03 1pwj n LYS 36 Ca 0.23 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.62 1pwj n LYS 36 Cb 0.86 -0.43 0.62 0.00 -0.02 0.00 0.00 35.03 36.06 1pwj n LYS 36 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1pwj h ASP 37 N 0.00 0.00 0.67 4.39 2.03 -2.00 -2.81 116.42 118.70 1pwj h ASP 37 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1pwj h ASP 37 Cb 0.77 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.27 1pwj h ASP 37 CO 0.00 0.15 -0.32 0.40 -1.03 0.00 0.00 179.24 178.44 1pwj h ILE 38 N 0.00 0.31 -0.30 4.15 1.08 -1.84 0.03 117.51 120.94 1pwj h ILE 38 Ca -0.00 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1pwj h ILE 38 Cb 0.32 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1pwj h ILE 38 CO 0.02 0.01 0.23 0.00 -0.69 0.00 0.00 178.15 177.73 1pwj h ALA 39 N -0.67 2.19 0.03 1.87 0.00 -1.76 -0.22 119.26 120.70 1pwj h ALA 39 Ca -0.09 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1pwj h ALA 39 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1pwj h ALA 39 CO 0.15 -0.39 -1.01 0.00 0.00 0.00 0.00 179.25 178.00 1pwj h ALA 40 N 1.81 0.32 -0.01 0.00 0.00 -1.24 0.36 119.26 120.50 1pwj h ALA 40 Ca 0.14 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1pwj h ALA 40 Cb 0.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pwj h ALA 40 CO -0.00 0.87 -0.46 -0.92 0.00 0.00 0.00 179.25 178.73 1pwj h TYR 41 N 0.17 0.04 0.13 0.00 3.20 0.78 0.80 116.97 122.10 1pwj h TYR 41 Ca -0.09 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.51 1pwj h TYR 41 Cb 1.67 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.93 1pwj h TYR 41 CO 0.06 0.49 -1.30 0.82 -1.64 0.00 0.00 178.16 176.59 1pwj h ILE 42 N 0.03 1.15 -0.12 1.81 5.03 -1.36 -0.38 117.51 123.67 1pwj h ILE 42 Ca -0.00 -2.45 -0.07 0.00 -0.12 0.00 0.00 64.86 62.21 1pwj h ILE 42 Cb 0.83 2.85 -0.01 0.00 -3.03 0.00 0.00 36.82 37.46 1pwj h ILE 42 CO 0.06 0.72 -0.25 0.50 -0.68 0.00 0.00 178.15 178.50 1pwj h LYS 43 N -0.27 0.21 0.20 2.37 3.64 -0.84 -2.53 116.57 119.35 1pwj h LYS 43 Ca -0.27 -0.07 -0.34 0.00 -1.27 0.00 0.00 60.65 58.70 1pwj h LYS 43 Cb 1.77 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 33.59 1pwj h LYS 43 CO 0.10 0.46 -1.64 0.87 -2.27 0.00 0.00 179.45 176.97 1pwj h LYS 44 N 0.19 0.43 -0.49 1.90 1.79 0.55 -1.83 116.57 119.11 1pwj h LYS 44 Ca 0.03 -0.74 0.08 0.00 -2.18 0.00 0.00 60.65 57.84 1pwj h LYS 44 Cb 0.56 0.27 -0.07 0.00 -1.58 0.00 0.00 32.23 31.42 1pwj h LYS 44 CO 0.04 1.34 0.12 1.49 -1.08 0.00 0.00 179.45 181.36 1pwj h GLU 45 N 0.12 0.25 0.14 3.15 4.57 -0.91 0.48 114.58 122.39 1pwj h GLU 45 Ca -0.30 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.67 1pwj h GLU 45 Cb 2.12 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 30.67 1pwj h GLU 45 CO 0.21 0.17 -0.84 0.74 -1.18 0.00 0.00 179.01 178.11 1pwj h PHE 46 N 0.26 0.56 0.00 0.92 0.04 -1.59 -3.26 116.94 113.86 1pwj h PHE 46 Ca 0.24 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1pwj h PHE 46 Cb 0.31 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1pwj h PHE 46 CO -0.21 1.32 0.00 -3.47 -0.60 0.00 0.00 178.31 175.35 1pwj n ASP 47 N -4.11 0.00 0.08 2.17 2.03 -0.69 -1.75 116.55 114.28 1pwj n ASP 47 Ca -0.14 0.48 -0.03 0.00 0.52 0.00 0.00 54.79 55.63 1pwj n ASP 47 Cb 0.83 -0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.68 1pwj n ASP 47 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1pwj h LYS 48 N 0.00 0.00 -0.26 -0.67 1.63 -0.07 -3.41 116.57 113.79 1pwj h LYS 48 Ca 0.00 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 1pwj h LYS 48 Cb 0.17 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 31.53 1pwj h LYS 48 CO 0.00 0.70 -0.71 0.36 -3.45 0.00 0.00 179.45 176.35 1pwj n LYS 49 N -3.24 1.50 0.00 1.90 2.85 -1.03 -5.03 118.16 115.11 1pwj n LYS 49 Ca -0.01 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.86 1pwj n LYS 49 Cb 0.86 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 1pwj n LYS 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pwj n TYR 50 N -0.97 0.00 0.00 5.58 4.02 -0.72 -5.06 117.16 120.01 1pwj n TYR 50 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1pwj n TYR 50 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1pwj n TYR 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1pwj n ASN 51 N -0.34 0.00 -4.58 7.72 4.05 -1.26 -5.08 115.26 115.77 1pwj n ASN 51 Ca 0.00 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.71 1pwj n ASN 51 Cb 0.00 0.00 0.16 0.00 1.23 0.00 0.00 39.78 41.17 1pwj n ASN 51 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1pwj n PRO 52 N 0.00 -0.47 -4.63 1.20 -0.02 -1.26 -4.68 135.00 125.15 1pwj n PRO 52 Ca 0.00 -0.08 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 1pwj n PRO 52 Cb 0.00 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.17 1pwj n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pwj s THR 53 N -2.55 3.39 -0.08 3.45 2.01 -1.21 -4.76 115.64 115.88 1pwj s THR 53 Ca 0.64 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1pwj s THR 53 Cb -0.22 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1pwj s THR 53 CO 0.61 0.47 -0.08 0.26 -0.69 0.00 0.00 174.62 175.20 1pwj s TRP 54 N -0.89 2.90 -0.37 4.92 0.52 -1.26 -0.88 118.94 123.89 1pwj s TRP 54 Ca 0.14 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.21 1pwj s TRP 54 Cb -0.11 -1.73 0.11 0.00 -1.15 0.00 0.00 33.47 30.58 1pwj s TRP 54 CO 0.04 0.23 0.09 -1.01 0.02 0.00 0.00 176.95 176.33 1pwj s HIS 55 N -0.59 3.33 0.25 -1.98 3.76 -0.26 -4.94 115.29 114.85 1pwj s HIS 55 Ca 0.09 -2.84 -0.26 0.00 -0.15 0.00 0.00 55.06 51.91 1pwj s HIS 55 Cb -0.12 -2.71 -0.09 0.00 1.11 0.00 0.00 32.58 30.78 1pwj s HIS 55 CO 0.02 -0.90 0.86 0.00 -0.85 0.00 0.00 174.74 173.87 1pwj s ILE 57 N -1.38 2.49 -0.39 0.00 -1.09 -0.41 -4.94 121.20 115.47 1pwj s ILE 57 Ca 0.43 -1.15 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1pwj s ILE 57 Cb -0.21 -1.98 0.12 0.00 -1.58 0.00 0.00 42.46 38.81 1pwj s ILE 57 CO 0.26 0.44 0.17 0.54 -1.23 0.00 0.00 174.94 175.12 1pwj s VAL 58 N -0.79 1.52 0.00 2.92 0.11 -1.26 -1.99 120.40 120.91 1pwj s VAL 58 Ca 0.12 -2.26 0.00 0.00 -2.93 0.00 0.00 61.98 56.91 1pwj s VAL 58 Cb -0.10 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1pwj s VAL 58 CO 0.02 -0.77 0.00 0.61 -3.33 0.00 0.00 175.10 171.63 1pwj n GLY 59 N 4.00 -1.56 0.00 6.54 0.00 0.86 -4.96 105.19 110.06 1pwj n GLY 59 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1pwj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwj n ARG 60 N 0.00 0.00 -0.19 1.61 1.74 -1.21 0.59 116.66 119.20 1pwj n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pwj n ARG 60 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1pwj n ARG 60 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pwj n ASN 61 N -0.42 0.00 -2.42 0.55 2.04 -1.26 -4.61 115.26 109.15 1pwj n ASN 61 Ca 0.00 -1.26 -0.10 0.00 -0.44 0.00 0.00 54.58 52.79 1pwj n ASN 61 Cb 0.00 -0.05 -0.08 0.00 -2.53 0.00 0.00 39.78 37.12 1pwj n ASN 61 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1pwj n PHE 62 N 0.00 0.27 -0.01 -2.53 -1.74 -1.26 -4.42 117.46 107.77 1pwj n PHE 62 Ca 0.00 -1.04 -0.01 0.00 -0.56 0.00 0.00 57.45 55.83 1pwj n PHE 62 Cb 0.55 -1.17 -0.01 0.00 1.52 0.00 0.00 39.48 40.37 1pwj n PHE 62 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1pwj h GLY 63 N 6.04 -0.08 -1.41 4.97 0.00 -1.93 -3.49 103.07 107.17 1pwj h GLY 63 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1pwj h GLY 63 CO 0.57 -0.03 -0.02 1.44 0.00 0.00 0.00 176.54 178.50 1pwj n SER 64 N -4.27 -2.15 -3.44 0.19 7.64 -1.26 -4.85 113.62 105.47 1pwj n SER 64 Ca -0.01 0.03 -0.18 0.00 1.01 0.00 0.00 58.87 59.72 1pwj n SER 64 Cb 0.03 -1.09 0.03 0.00 -1.01 0.00 0.00 64.21 62.17 1pwj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwj n TYR 65 N 0.04 -2.34 0.01 1.43 4.11 -1.26 -4.93 117.16 114.21 1pwj n TYR 65 Ca 0.00 0.78 0.03 0.00 -0.00 0.00 0.00 57.90 58.71 1pwj n TYR 65 Cb 0.00 -3.67 -0.11 0.00 -0.00 0.00 0.00 39.34 35.56 1pwj n TYR 65 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1pwj n VAL 66 N -3.09 0.84 0.00 -3.48 0.31 -1.26 -4.50 118.33 107.15 1pwj n VAL 66 Ca -0.09 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1pwj n VAL 66 Cb 0.59 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1pwj n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pwj n THR 67 N -2.67 0.00 0.54 2.52 -1.04 -1.26 -3.99 114.28 108.38 1pwj n THR 67 Ca -0.11 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.96 1pwj n THR 67 Cb 0.78 -0.22 0.29 0.00 -1.82 0.00 0.00 70.33 69.36 1pwj n THR 67 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1pwj n HIS 68 N -1.12 0.00 -0.11 -1.42 -0.00 -1.26 -2.23 115.22 109.08 1pwj n HIS 68 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 1pwj n HIS 68 Cb 0.13 -0.30 -0.11 0.00 -0.00 0.00 0.00 29.99 29.72 1pwj n HIS 68 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1pwj n GLU 69 N -1.30 0.56 0.00 1.57 0.00 -1.26 -4.91 120.64 115.30 1pwj n GLU 69 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 57.16 57.75 1pwj n GLU 69 Cb 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 29.82 1pwj n GLU 69 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1pwj n THR 70 N -4.43 0.00 0.00 3.84 5.66 -1.19 -3.91 114.28 114.25 1pwj n THR 70 Ca -0.32 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1pwj n THR 70 Cb 0.67 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 1pwj n THR 70 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pwj n LYS 71 N -2.18 0.00 -3.65 1.09 4.76 -0.95 -4.95 118.16 112.28 1pwj n LYS 71 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1pwj n LYS 71 Cb 0.14 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.22 1pwj n LYS 71 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1pwj n HIS 72 N -0.41 1.51 -4.54 2.13 8.25 -1.26 -4.97 115.22 115.93 1pwj n HIS 72 Ca 0.00 -3.89 -0.28 0.00 -0.26 0.00 0.00 57.72 53.29 1pwj n HIS 72 Cb 0.00 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 30.75 1pwj n HIS 72 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1pwj s PHE 73 N -0.92 2.40 -0.30 4.41 -0.71 -1.26 0.11 117.98 121.72 1pwj s PHE 73 Ca 0.29 -0.71 -0.09 0.00 -1.04 0.00 0.00 56.93 55.38 1pwj s PHE 73 Cb 0.01 -1.79 0.18 0.00 -1.21 0.00 0.00 43.02 40.21 1pwj s PHE 73 CO -0.17 0.34 0.88 -1.50 -1.34 0.00 0.00 175.22 173.43 1pwj s ILE 74 N -2.72 -0.60 0.19 -4.49 2.07 0.15 -2.22 121.20 113.59 1pwj s ILE 74 Ca 0.31 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1pwj s ILE 74 Cb 0.07 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 1pwj s ILE 74 CO 0.16 0.00 0.38 -0.31 -1.91 0.00 0.00 174.94 173.26 1pwj s TYR 75 N 2.88 3.48 -0.30 3.50 1.51 -0.53 -1.41 117.35 126.49 1pwj s TYR 75 Ca 0.07 0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 56.28 1pwj s TYR 75 Cb -0.12 -1.83 0.16 0.00 -0.11 0.00 0.00 41.96 40.07 1pwj s TYR 75 CO -0.15 0.40 1.00 -0.59 -1.11 0.00 0.00 175.55 175.10 1pwj s PHE 76 N -1.85 -0.60 -0.15 2.71 -0.12 -0.56 -4.28 117.98 113.13 1pwj s PHE 76 Ca 0.38 1.09 -0.22 0.00 -0.05 0.00 0.00 56.93 58.13 1pwj s PHE 76 Cb -0.11 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1pwj s PHE 76 CO 0.29 -0.30 0.66 -0.47 -0.05 0.00 0.00 175.22 175.35 1pwj s TYR 77 N 2.02 3.44 -0.07 3.49 5.04 0.31 -2.12 117.35 129.46 1pwj s TYR 77 Ca -0.05 1.05 0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1pwj s TYR 77 Cb -0.05 -2.80 -0.00 0.00 0.35 0.00 0.00 41.96 39.46 1pwj s TYR 77 CO -0.16 -0.08 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.25 1pwj s LEU 78 N 1.53 1.96 0.00 6.97 1.43 -0.54 -1.96 118.68 128.08 1pwj s LEU 78 Ca 0.32 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1pwj s LEU 78 Cb -0.16 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1pwj s LEU 78 CO 0.12 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1pwj n GLY 79 N 3.32 0.40 0.69 -3.19 0.00 -1.26 -0.58 105.19 104.55 1pwj n GLY 79 Ca -0.19 0.71 0.04 0.00 0.00 0.00 0.00 46.02 46.58 1pwj n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwj n GLN 80 N 0.00 0.46 -3.84 1.61 0.00 -1.26 -4.99 117.38 109.36 1pwj n GLN 80 Ca 0.00 -1.86 -0.13 0.00 0.00 0.00 0.00 57.00 55.01 1pwj n GLN 80 Cb 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 30.24 29.39 1pwj n GLN 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1pwj s VAL 81 N -0.98 -0.02 -0.13 -0.39 1.01 0.25 -5.07 120.40 115.07 1pwj s VAL 81 Ca 0.20 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 1pwj s VAL 81 Cb 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.48 1pwj s VAL 81 CO -0.05 0.02 0.52 0.00 0.00 0.00 0.00 175.10 175.60 1pwj s ALA 82 N 0.31 3.47 -0.05 5.51 0.00 0.20 -1.46 121.76 129.74 1pwj s ALA 82 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1pwj s ALA 82 Cb -0.04 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 1pwj s ALA 82 CO -0.01 -0.12 -0.23 0.42 0.00 0.00 0.00 175.76 175.82 1pwj s ILE 83 N 0.89 2.25 -0.15 0.00 1.01 -0.90 -0.10 121.20 124.20 1pwj s ILE 83 Ca 0.27 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1pwj s ILE 83 Cb -0.16 -1.82 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1pwj s ILE 83 CO 0.11 0.57 0.02 -1.48 0.00 0.00 0.00 174.94 174.17 1pwj s LEU 84 N -0.38 0.93 -0.08 2.97 2.34 -0.84 -1.49 118.68 122.12 1pwj s LEU 84 Ca 0.03 -0.55 -0.07 0.00 0.06 0.00 0.00 54.13 53.60 1pwj s LEU 84 Cb -0.12 -0.53 -0.04 0.00 -0.56 0.00 0.00 46.19 44.94 1pwj s LEU 84 CO 0.02 -0.27 0.19 -0.22 -1.06 0.00 0.00 176.35 175.01 1pwj s LEU 85 N 1.91 4.40 -0.22 1.48 2.96 -0.50 -1.28 118.68 127.42 1pwj s LEU 85 Ca 0.01 0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 54.24 1pwj s LEU 85 Cb -0.15 -2.24 0.06 0.00 0.50 0.00 0.00 46.19 44.35 1pwj s LEU 85 CO -0.07 0.37 0.59 0.72 -1.32 0.00 0.00 176.35 176.64 1pwj s PHE 86 N -1.09 -0.65 0.24 5.38 -0.12 -1.22 0.30 117.98 120.82 1pwj s PHE 86 Ca 0.18 1.59 -0.03 0.00 -0.05 0.00 0.00 56.93 58.62 1pwj s PHE 86 Cb -0.13 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 1pwj s PHE 86 CO 0.08 -0.31 0.48 0.21 -0.05 0.00 0.00 175.22 175.62 1pwj s LYS 87 N 0.33 3.59 0.07 1.99 2.36 0.31 -1.10 119.74 127.28 1pwj s LYS 87 Ca -0.00 -0.14 0.06 0.00 -2.55 0.00 0.00 55.97 53.35 1pwj s LYS 87 Cb -0.04 -2.74 -0.03 0.00 -1.05 0.00 0.00 37.83 33.97 1pwj s LYS 87 CO 0.01 0.31 -0.17 -1.12 1.55 0.00 0.00 175.35 175.92 1pwj s SER 88 N -3.10 2.06 0.00 1.43 0.01 -0.06 -4.23 113.70 109.81 1pwj s SER 88 Ca 0.42 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1pwj s SER 88 Cb -0.11 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1pwj s SER 88 CO 0.29 0.02 0.07 0.61 0.41 0.00 0.00 173.24 174.64