#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwk n SER 2 N 0.00 -1.80 -2.55 6.12 7.64 -1.26 -5.08 113.62 116.69 1pwk n SER 2 Ca 0.00 -2.52 -0.05 0.00 1.01 0.00 0.00 58.87 57.31 1pwk n SER 2 Cb 0.00 1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 64.38 1pwk n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pwk n ASP 3 N -0.30 -1.28 -1.50 6.43 -0.08 -1.26 -4.98 116.55 113.59 1pwk n ASP 3 Ca -0.06 1.29 -0.03 0.00 -1.51 0.00 0.00 54.79 54.48 1pwk n ASP 3 Cb 0.77 -5.06 0.10 0.00 2.34 0.00 0.00 41.12 39.27 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1pwk n ARG 4 N 1.49 1.75 -0.06 -0.67 -4.01 -1.26 -4.70 116.66 109.20 1pwk n ARG 4 Ca -0.36 -3.25 -0.06 0.00 -1.04 0.00 0.00 57.85 53.14 1pwk n ARG 4 Cb 0.55 -1.41 -0.10 0.00 -3.04 0.00 0.00 32.46 28.46 1pwk n ARG 4 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 1pwk n LYS 5 N -0.57 1.98 -2.70 2.89 -0.00 -1.26 -4.94 118.16 113.55 1pwk n LYS 5 Ca 0.20 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.08 1pwk n LYS 5 Cb 0.88 -1.31 -0.02 0.00 -0.00 0.00 0.00 35.03 34.57 1pwk n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pwk s ALA 6 N -2.30 3.67 -0.39 0.58 0.00 -1.26 0.16 121.76 122.22 1pwk s ALA 6 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1pwk s ALA 6 Cb 0.04 -3.50 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1pwk s ALA 6 CO 0.50 -1.00 0.11 0.08 0.00 0.00 0.00 175.76 175.44 1pwk s VAL 7 N 3.07 2.31 0.41 0.00 1.01 -0.35 -4.89 120.40 121.96 1pwk s VAL 7 Ca 0.43 -2.57 -0.27 0.00 0.00 0.00 0.00 61.98 59.57 1pwk s VAL 7 Cb -0.15 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 1pwk s VAL 7 CO 0.07 -0.66 1.44 -0.63 0.00 0.00 0.00 175.10 175.33 1pwk s ILE 8 N 0.61 2.10 -0.06 2.22 1.01 -1.26 0.03 121.20 125.85 1pwk s ILE 8 Ca 0.13 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 1pwk s ILE 8 Cb -0.21 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1pwk s ILE 8 CO -0.06 0.02 -0.18 1.17 0.00 0.00 0.00 174.94 175.88 1pwk n LYS 9 N 0.12 0.28 -4.21 2.79 3.00 0.35 -4.81 118.16 115.68 1pwk n LYS 9 Ca 0.03 0.11 -0.12 0.00 -0.00 0.00 0.00 58.31 58.33 1pwk n LYS 9 Cb 0.41 -0.99 -0.10 0.00 0.00 0.00 0.00 35.03 34.35 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1pwk s ASN 10 N -6.01 1.28 -0.30 3.14 2.47 0.77 -5.00 114.94 111.28 1pwk s ASN 10 Ca -0.16 -1.08 -0.19 0.00 0.42 0.00 0.00 52.86 51.85 1pwk s ASN 10 Cb 0.03 0.09 0.19 0.00 -1.45 0.00 0.00 41.25 40.11 1pwk s ASN 10 CO 0.23 -0.49 1.30 0.00 -3.72 0.00 0.00 177.10 174.42 1pwk s ALA 11 N -3.59 -3.52 -0.36 1.71 0.00 -1.26 -1.34 121.76 113.40 1pwk s ALA 11 Ca 0.18 1.62 0.14 0.00 0.00 0.00 0.00 51.96 53.89 1pwk s ALA 11 Cb 0.05 -2.41 0.38 0.00 0.00 0.00 0.00 23.12 21.15 1pwk s ALA 11 CO -0.00 -1.13 0.81 -0.25 0.00 0.00 0.00 175.76 175.19 1pwk n ASP 12 N 4.80 0.94 -3.28 0.00 9.92 -1.08 -5.04 116.55 122.81 1pwk n ASP 12 Ca -0.07 -2.92 -0.20 0.00 -0.53 0.00 0.00 54.79 51.07 1pwk n ASP 12 Cb 0.56 -0.53 -0.07 0.00 -0.64 0.00 0.00 41.12 40.44 1pwk n ASP 12 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1pwk n MET 13 N 0.16 0.47 0.16 -1.24 0.00 -1.26 -4.41 117.12 111.00 1pwk n MET 13 Ca 0.19 -3.04 0.17 0.00 0.00 0.00 0.00 57.70 55.03 1pwk n MET 13 Cb 0.71 2.12 0.63 0.00 0.00 0.00 0.00 33.22 36.68 1pwk n MET 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1pwk h SER 14 N 1.67 0.00 0.00 3.17 0.02 -2.01 -3.45 113.55 112.96 1pwk h SER 14 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1pwk h SER 14 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1pwk h SER 14 CO 0.37 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.44 1pwk n GLU 15 N -3.21 0.00 0.32 3.45 1.02 -1.26 -4.84 120.64 116.13 1pwk n GLU 15 Ca 0.06 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.40 1pwk n GLU 15 Cb 0.72 0.00 1.12 0.00 -0.02 0.00 0.00 31.44 33.26 1pwk n GLU 15 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pwk h ASP 16 N 0.00 0.00 0.53 1.62 3.32 -2.00 0.11 116.42 119.99 1pwk h ASP 16 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1pwk h ASP 16 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1pwk h ASP 16 CO 0.00 0.00 -1.62 0.24 -1.72 0.00 0.00 179.24 176.14 1pwk h MET 17 N 0.00 0.04 0.00 3.56 2.86 -1.94 -2.46 114.93 116.99 1pwk h MET 17 Ca 0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1pwk h MET 17 Cb 0.07 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1pwk h MET 17 CO -0.00 0.67 -0.10 1.96 1.06 0.00 0.00 176.91 180.50 1pwk h GLN 18 N 0.01 0.00 0.00 1.72 1.08 -1.22 1.71 115.11 118.41 1pwk h GLN 18 Ca -0.25 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 1pwk h GLN 18 Cb 1.98 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.41 1pwk h GLN 18 CO 0.09 0.10 -0.14 1.96 -0.95 0.00 0.00 178.83 179.89 1pwk h GLN 19 N 0.00 0.00 0.00 1.46 4.20 -1.36 -2.52 115.11 116.88 1pwk h GLN 19 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pwk h GLN 19 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1pwk h GLN 19 CO 0.01 0.67 0.00 0.22 -0.67 0.00 0.00 178.83 179.06 1pwk h ASP 20 N -1.00 0.00 0.07 1.46 3.58 -1.10 -1.21 116.42 118.22 1pwk h ASP 20 Ca -0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1pwk h ASP 20 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1pwk h ASP 20 CO -0.02 0.00 -0.04 0.00 -2.88 0.00 0.00 179.24 176.30 1pwk h ALA 21 N 2.03 -0.10 0.00 -0.78 0.00 0.25 0.25 119.26 120.91 1pwk h ALA 21 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1pwk h ALA 21 Cb 0.29 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pwk h ALA 21 CO 0.00 -0.19 -0.12 0.28 0.00 0.00 0.00 179.25 179.23 1pwk h VAL 22 N -0.83 0.90 0.04 0.00 2.07 -1.14 0.25 116.25 117.54 1pwk h VAL 22 Ca -0.01 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1pwk h VAL 22 Cb 0.61 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1pwk h VAL 22 CO 0.02 0.11 -0.02 0.44 0.02 0.00 0.00 177.57 178.14 1pwk h ASP 23 N 0.00 -0.04 0.00 0.57 5.19 -1.22 -0.67 116.42 120.25 1pwk h ASP 23 Ca -0.00 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1pwk h ASP 23 Cb 0.23 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1pwk h ASP 23 CO 0.02 0.70 0.10 0.00 -3.12 0.00 0.00 179.24 176.93 1pwk h ALA 25 N 1.80 0.56 0.12 0.00 0.00 -0.87 -1.43 119.26 119.43 1pwk h ALA 25 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 54.91 53.39 1pwk h ALA 25 Cb 0.19 0.32 0.03 0.00 0.00 0.00 0.00 17.79 18.33 1pwk h ALA 25 CO 0.00 1.40 -1.05 1.15 0.00 0.00 0.00 179.25 180.76 1pwk h THR 26 N 0.02 1.37 0.03 0.00 2.02 0.11 -1.00 112.91 115.46 1pwk h THR 26 Ca -0.23 -2.44 -0.21 0.00 0.77 0.00 0.00 66.41 64.30 1pwk h THR 26 Cb 1.96 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 71.22 1pwk h THR 26 CO 0.11 0.72 -0.98 0.06 0.37 0.00 0.00 175.52 175.80 1pwk h GLN 27 N 0.02 0.14 -0.03 6.66 3.07 -0.51 -0.82 115.11 123.65 1pwk h GLN 27 Ca -0.17 -0.19 -0.17 0.00 0.09 0.00 0.00 58.65 58.21 1pwk h GLN 27 Cb 1.77 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.38 1pwk h GLN 27 CO 0.20 1.01 -0.74 0.00 0.09 0.00 0.00 178.83 179.39 1pwk h ALA 28 N 0.92 0.71 0.00 0.06 0.00 -1.34 0.42 119.26 120.02 1pwk h ALA 28 Ca -0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.09 1pwk h ALA 28 Cb 1.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1pwk h ALA 28 CO 0.14 0.83 -0.65 1.98 0.00 0.00 0.00 179.25 181.56 1pwk h MET 29 N 0.12 0.00 0.17 0.00 1.85 -1.14 1.02 114.93 116.95 1pwk h MET 29 Ca -0.02 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.73 1pwk h MET 29 Cb 1.30 0.00 0.01 0.00 0.43 0.00 0.00 31.60 33.34 1pwk h MET 29 CO 0.11 0.65 -1.68 1.49 -0.40 0.00 0.00 176.91 177.08 1pwk h GLU 30 N 0.00 0.37 0.00 0.39 4.57 -1.01 -3.35 114.58 115.55 1pwk h GLU 30 Ca -0.01 -0.63 -0.24 0.00 -1.18 0.00 0.00 59.36 57.30 1pwk h GLU 30 Cb 1.41 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 30.19 1pwk h GLU 30 CO 0.09 1.27 -1.28 -0.22 -1.18 0.00 0.00 179.01 177.69 1pwk h LYS 31 N 0.10 0.01 -4.26 1.92 1.63 -0.20 -3.45 116.57 112.31 1pwk h LYS 31 Ca -0.31 -0.01 -0.40 0.00 -0.85 0.00 0.00 60.65 59.07 1pwk h LYS 31 Cb 2.08 0.01 -0.32 0.00 -0.60 0.00 0.00 32.23 33.40 1pwk h LYS 31 CO 0.18 0.82 -0.77 0.71 -3.45 0.00 0.00 179.45 176.93 1pwk s TYR 32 N -2.67 0.75 -0.63 1.91 2.02 0.35 -5.01 117.35 114.08 1pwk s TYR 32 Ca -0.01 -0.19 0.12 0.00 -0.37 0.00 0.00 57.07 56.61 1pwk s TYR 32 Cb 0.09 -0.60 0.35 0.00 -0.40 0.00 0.00 41.96 41.40 1pwk s TYR 32 CO 0.82 -0.12 1.28 0.09 -1.57 0.00 0.00 175.55 176.05 1pwk n ASN 33 N 3.59 3.12 -1.62 2.29 5.03 -1.26 -3.37 115.26 123.04 1pwk n ASN 33 Ca -0.21 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 52.93 1pwk n ASN 33 Cb 0.53 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 1pwk n ASN 33 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pwk n ILE 34 N 0.10 0.00 0.00 2.41 5.41 -1.26 -5.05 119.36 120.97 1pwk n ILE 34 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1pwk n ILE 34 Cb 0.55 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 1pwk n ILE 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1pwk n GLU 35 N -0.48 3.37 0.00 0.38 0.28 -1.26 -4.33 120.64 118.60 1pwk n GLU 35 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1pwk n GLU 35 Cb 0.00 -0.73 -0.13 0.00 1.43 0.00 0.00 31.44 32.01 1pwk n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pwk n LYS 36 N -1.20 0.65 -0.00 3.44 5.02 -1.26 -3.45 118.16 121.36 1pwk n LYS 36 Ca 0.00 -0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1pwk n LYS 36 Cb 0.00 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.29 1pwk n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pwk n ASP 37 N -2.46 0.86 0.06 4.39 9.92 -1.26 -1.34 116.55 126.72 1pwk n ASP 37 Ca -0.08 0.40 -0.08 0.00 -0.53 0.00 0.00 54.79 54.50 1pwk n ASP 37 Cb 0.67 0.02 0.06 0.00 -0.64 0.00 0.00 41.12 41.23 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1pwk h ILE 38 N 0.00 1.38 0.00 0.53 1.08 -1.75 1.18 117.51 119.93 1pwk h ILE 38 Ca -0.25 -2.09 -0.14 0.00 -0.39 0.00 0.00 64.86 62.00 1pwk h ILE 38 Cb 1.87 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 37.67 1pwk h ILE 38 CO 0.07 0.62 -0.83 0.00 -0.69 0.00 0.00 178.15 177.32 1pwk h ALA 39 N 1.02 0.63 0.00 1.87 0.00 -1.65 -1.74 119.26 119.39 1pwk h ALA 39 Ca -0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1pwk h ALA 39 Cb 1.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1pwk h ALA 39 CO 0.11 0.79 -0.98 0.00 0.00 0.00 0.00 179.25 179.17 1pwk h ALA 40 N 1.42 0.62 0.01 0.00 0.00 -0.99 -1.42 119.26 118.89 1pwk h ALA 40 Ca -0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.27 1pwk h ALA 40 Cb 1.49 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1pwk h ALA 40 CO 0.07 0.35 -1.52 -0.92 0.00 0.00 0.00 179.25 177.23 1pwk h TYR 41 N 0.00 0.04 0.05 0.00 5.03 0.14 -1.72 116.97 120.51 1pwk h TYR 41 Ca -0.05 -0.03 -0.29 0.00 2.58 0.00 0.00 58.73 60.94 1pwk h TYR 41 Cb 1.22 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.47 1pwk h TYR 41 CO 0.00 1.04 -1.52 0.82 -1.32 0.00 0.00 178.16 177.18 1pwk h ILE 42 N 0.01 1.12 0.02 1.81 2.04 -1.42 -0.40 117.51 120.69 1pwk h ILE 42 Ca -0.21 -2.86 -0.23 0.00 1.00 0.00 0.00 64.86 62.56 1pwk h ILE 42 Cb 1.95 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 40.67 1pwk h ILE 42 CO 0.10 0.74 -0.98 0.50 0.00 0.00 0.00 178.15 178.51 1pwk h LYS 43 N 0.03 0.41 0.00 2.37 3.64 -1.38 -2.27 116.57 119.37 1pwk h LYS 43 Ca -0.22 -0.46 -0.15 0.00 -1.27 0.00 0.00 60.65 58.55 1pwk h LYS 43 Cb 1.97 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.90 1pwk h LYS 43 CO 0.12 1.13 -0.70 0.87 -2.27 0.00 0.00 179.45 178.60 1pwk h LYS 44 N 0.22 0.00 -0.56 1.90 1.57 -1.40 -1.63 116.57 116.67 1pwk h LYS 44 Ca -0.09 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1pwk h LYS 44 Cb 1.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 1pwk h LYS 44 CO 0.17 0.70 -0.08 1.49 -0.57 0.00 0.00 179.45 181.16 1pwk h GLU 45 N 0.00 1.03 0.00 3.15 4.57 -0.97 -2.09 114.58 120.27 1pwk h GLU 45 Ca -0.01 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1pwk h GLU 45 Cb 1.52 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1pwk h GLU 45 CO 0.09 1.05 -0.12 0.74 -1.18 0.00 0.00 179.01 179.59 1pwk h PHE 46 N 0.92 0.00 -0.95 0.92 -1.00 -1.42 -2.29 116.94 113.12 1pwk h PHE 46 Ca 0.15 0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.13 1pwk h PHE 46 Cb 0.64 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.12 1pwk h PHE 46 CO 0.04 1.00 0.61 -0.44 -1.61 0.00 0.00 178.31 177.91 1pwk h ASP 47 N -1.00 0.57 0.91 2.17 3.32 -1.36 1.02 116.42 122.05 1pwk h ASP 47 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pwk h ASP 47 Cb 0.99 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1pwk h ASP 47 CO -0.02 0.22 -0.61 0.11 -1.72 0.00 0.00 179.24 177.22 1pwk h LYS 48 N 0.57 0.00 0.00 3.56 1.57 -1.48 -1.83 116.57 118.96 1pwk h LYS 48 Ca 0.52 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.28 1pwk h LYS 48 Cb 1.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1pwk h LYS 48 CO -0.26 0.00 -0.39 1.63 -0.57 0.00 0.00 179.45 179.86 1pwk n LYS 49 N -2.16 1.22 0.00 3.15 4.76 0.58 -4.78 118.16 120.94 1pwk n LYS 49 Ca 0.03 -2.78 0.00 0.00 -2.87 0.00 0.00 58.31 52.69 1pwk n LYS 49 Cb 0.45 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1pwk n LYS 49 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pwk n TYR 50 N -0.98 0.00 0.00 2.13 4.01 0.32 -4.90 117.16 117.74 1pwk n TYR 50 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1pwk n TYR 50 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 1pwk n TYR 50 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1pwk n ASN 51 N -1.22 0.00 -4.77 7.72 5.03 -0.69 -5.00 115.26 116.33 1pwk n ASN 51 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1pwk n ASN 51 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1pwk n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1pwk n PRO 52 N -0.16 2.72 -3.84 3.52 -0.04 -1.23 -4.44 135.00 131.54 1pwk n PRO 52 Ca 0.00 0.96 -0.11 0.00 -0.04 0.00 0.00 63.50 64.31 1pwk n PRO 52 Cb 0.00 -2.71 -0.09 0.00 -0.04 0.00 0.00 33.50 30.66 1pwk n PRO 52 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1pwk s THR 53 N -0.80 0.09 0.22 0.52 2.01 -1.26 -4.98 115.64 111.45 1pwk s THR 53 Ca 0.56 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1pwk s THR 53 Cb -0.47 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1pwk s THR 53 CO 0.60 -0.41 0.15 0.26 -0.69 0.00 0.00 174.62 174.53 1pwk s TRP 54 N -1.94 3.07 -0.55 4.92 0.52 -1.26 -4.02 118.94 119.68 1pwk s TRP 54 Ca -0.10 -0.10 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1pwk s TRP 54 Cb -0.04 -1.41 0.33 0.00 -1.15 0.00 0.00 33.47 31.20 1pwk s TRP 54 CO -0.00 0.53 0.90 0.72 0.02 0.00 0.00 176.95 179.11 1pwk n HIS 55 N -0.86 3.37 -2.64 -1.98 8.25 0.31 -4.92 115.22 116.75 1pwk n HIS 55 Ca -0.08 -3.98 -0.41 0.00 -0.26 0.00 0.00 57.72 53.00 1pwk n HIS 55 Cb 0.57 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 1pwk n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pwk s ILE 57 N -0.36 1.25 -0.03 0.00 1.01 0.58 -4.80 121.20 118.85 1pwk s ILE 57 Ca 0.47 -2.08 0.01 0.00 0.00 0.00 0.00 60.65 59.05 1pwk s ILE 57 Cb -0.27 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1pwk s ILE 57 CO 0.33 -0.49 -0.02 -0.69 0.00 0.00 0.00 174.94 174.07 1pwk s VAL 58 N -3.28 0.30 0.00 2.92 1.01 -1.26 -0.25 120.40 119.85 1pwk s VAL 58 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1pwk s VAL 58 Cb 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1pwk s VAL 58 CO 0.06 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1pwk n GLY 59 N 4.05 3.12 2.80 4.51 0.00 -0.16 -4.97 105.19 114.55 1pwk n GLY 59 Ca -0.26 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1pwk n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pwk n ARG 60 N 0.00 4.41 -4.11 1.61 0.63 -1.26 0.01 116.66 117.95 1pwk n ARG 60 Ca 0.00 -4.64 -0.29 0.00 -0.92 0.00 0.00 57.85 52.00 1pwk n ARG 60 Cb 0.00 -2.44 -0.05 0.00 0.45 0.00 0.00 32.46 30.43 1pwk n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1pwk n SER 61 N 0.66 -0.42 -0.09 6.15 3.41 -1.26 -4.82 113.62 117.26 1pwk n SER 61 Ca 0.34 -1.09 0.07 0.00 -0.26 0.00 0.00 58.87 57.93 1pwk n SER 61 Cb 0.32 -2.57 0.40 0.00 -0.26 0.00 0.00 64.21 62.10 1pwk n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwk n GLY 62 N -2.04 -0.79 2.92 5.00 0.00 -1.26 -4.92 105.19 104.10 1pwk n GLY 62 Ca -0.25 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 1pwk n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pwk n ASN 63 N -0.55 -6.57 -2.58 1.61 4.05 -1.26 -4.98 115.26 104.98 1pwk n ASN 63 Ca 0.11 -0.31 0.00 0.00 0.45 0.00 0.00 54.58 54.83 1pwk n ASN 63 Cb 0.09 -4.66 0.05 0.00 1.23 0.00 0.00 39.78 36.49 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1pwk n PHE 64 N -2.27 0.70 -0.00 1.20 1.16 -1.26 -4.87 117.46 112.12 1pwk n PHE 64 Ca -0.03 -1.81 -0.00 0.00 -1.87 0.00 0.00 57.45 53.74 1pwk n PHE 64 Cb 0.55 -0.02 -0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1pwk n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pwk n GLY 65 N -0.51 -0.00 1.90 4.97 0.00 -1.26 -4.58 105.19 105.71 1pwk n GLY 65 Ca 0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1pwk n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwk n SER 66 N -2.14 3.56 -0.06 1.61 7.64 -1.26 -4.24 113.62 118.74 1pwk n SER 66 Ca -0.00 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1pwk n SER 66 Cb 0.50 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwk n TYR 67 N -1.00 0.00 0.89 1.43 9.36 -1.26 -4.88 117.16 121.70 1pwk n TYR 67 Ca 0.50 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.82 1pwk n TYR 67 Cb 1.46 0.09 0.05 0.00 -0.63 0.00 0.00 39.34 40.31 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1pwk n VAL 68 N 0.00 0.00 0.00 2.97 0.31 -1.26 -4.63 118.33 115.72 1pwk n VAL 68 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1pwk n VAL 68 Cb 0.51 1.35 0.00 0.00 -0.91 0.00 0.00 33.84 34.79 1pwk n VAL 68 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pwk n THR 69 N 0.65 0.00 -0.72 2.52 -1.04 -1.26 -4.80 114.28 109.63 1pwk n THR 69 Ca 0.11 0.80 -0.01 0.00 -2.04 0.00 0.00 64.05 62.90 1pwk n THR 69 Cb 0.49 -1.59 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 1pwk n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pwk n HIS 70 N -1.33 -0.58 0.00 -1.42 1.44 -1.26 -3.30 115.22 108.77 1pwk n HIS 70 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pwk n HIS 70 Cb 0.00 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.06 1pwk n HIS 70 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1pwk n GLU 71 N -0.70 0.00 0.00 -1.40 -0.00 -1.26 -5.15 120.64 112.13 1pwk n GLU 71 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 1pwk n GLU 71 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.50 1pwk n GLU 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1pwk n THR 72 N 0.00 0.00 0.00 3.84 -1.04 -1.21 -4.86 114.28 111.01 1pwk n THR 72 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pwk n THR 72 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1pwk n THR 72 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1pwk n LYS 73 N 0.00 0.00 -3.67 -2.82 0.00 -1.26 -4.92 118.16 105.49 1pwk n LYS 73 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1pwk n LYS 73 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 1pwk n LYS 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1pwk s HIS 74 N 0.00 -0.57 0.01 5.58 3.76 -1.26 -5.00 115.29 117.80 1pwk s HIS 74 Ca 0.00 1.19 -0.12 0.00 -0.15 0.00 0.00 55.06 55.97 1pwk s HIS 74 Cb 0.00 0.12 0.02 0.00 1.11 0.00 0.00 32.58 33.83 1pwk s HIS 74 CO 0.00 -0.39 0.26 -0.59 -0.85 0.00 0.00 174.74 173.17 1pwk s PHE 75 N 2.28 -0.09 0.22 1.40 -0.71 -1.26 -3.20 117.98 116.63 1pwk s PHE 75 Ca -0.02 0.06 0.10 0.00 -1.04 0.00 0.00 56.93 56.03 1pwk s PHE 75 Cb -0.11 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.70 1pwk s PHE 75 CO -0.10 -0.39 -0.18 -1.50 -1.34 0.00 0.00 175.22 171.71 1pwk s ILE 76 N -1.70 2.07 -0.30 -4.49 2.07 0.81 -2.64 121.20 117.01 1pwk s ILE 76 Ca -0.11 -2.22 -0.10 0.00 -1.41 0.00 0.00 60.65 56.81 1pwk s ILE 76 Cb -0.04 -2.11 0.15 0.00 0.13 0.00 0.00 42.46 40.59 1pwk s ILE 76 CO 0.01 -0.44 0.74 -0.47 -1.91 0.00 0.00 174.94 172.87 1pwk s TYR 77 N -2.56 -1.20 0.09 3.50 5.04 -0.45 -1.57 117.35 120.21 1pwk s TYR 77 Ca 0.24 1.88 -0.05 0.00 -2.44 0.00 0.00 57.07 56.70 1pwk s TYR 77 Cb -0.04 0.64 -0.02 0.00 0.35 0.00 0.00 41.96 42.90 1pwk s TYR 77 CO 0.10 -0.61 0.10 -0.59 -1.34 0.00 0.00 175.55 173.21 1pwk s PHE 78 N 2.79 0.45 0.16 4.97 -0.71 -0.29 -0.16 117.98 125.19 1pwk s PHE 78 Ca -0.00 -0.90 0.04 0.00 -1.04 0.00 0.00 56.93 55.02 1pwk s PHE 78 Cb -0.11 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 1pwk s PHE 78 CO -0.19 -0.51 0.22 0.71 -1.34 0.00 0.00 175.22 174.11 1pwk s TYR 79 N -3.93 3.32 -0.49 3.49 2.02 0.10 -0.67 117.35 121.19 1pwk s TYR 79 Ca 0.11 0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.89 1pwk s TYR 79 Cb 0.06 -1.58 0.16 0.00 -0.40 0.00 0.00 41.96 40.20 1pwk s TYR 79 CO -0.07 0.51 0.36 -0.51 -1.57 0.00 0.00 175.55 174.27 1pwk s LEU 80 N -3.24 2.57 0.00 -1.29 1.02 0.12 -1.21 118.68 116.65 1pwk s LEU 80 Ca 0.33 -3.15 0.00 0.00 0.02 0.00 0.00 54.13 51.33 1pwk s LEU 80 Cb -0.10 -0.88 0.00 0.00 0.02 0.00 0.00 46.19 45.23 1pwk s LEU 80 CO 0.26 -0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.07 1pwk n GLY 81 N 2.81 1.78 0.00 -3.19 0.00 0.42 -2.23 105.19 104.77 1pwk n GLY 81 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1pwk n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pwk n GLN 82 N 0.00 2.17 -3.71 1.61 1.13 -1.26 -4.92 117.38 112.40 1pwk n GLN 82 Ca 0.00 -0.03 -0.28 0.00 -1.94 0.00 0.00 57.00 54.75 1pwk n GLN 82 Cb 0.00 -0.27 -0.03 0.00 0.11 0.00 0.00 30.24 30.04 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pwk s VAL 83 N -0.32 5.21 -0.22 5.09 1.01 -0.95 -4.07 120.40 126.16 1pwk s VAL 83 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1pwk s VAL 83 Cb 0.00 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1pwk s VAL 83 CO 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 175.10 174.83 1pwk s ALA 84 N -1.85 2.26 -0.09 5.51 0.00 0.10 0.10 121.76 127.80 1pwk s ALA 84 Ca 0.38 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 1pwk s ALA 84 Cb -0.11 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1pwk s ALA 84 CO 0.29 -0.92 -0.03 0.42 0.00 0.00 0.00 175.76 175.52 1pwk s ILE 85 N 1.27 4.04 0.30 0.00 1.01 0.16 -0.99 121.20 126.99 1pwk s ILE 85 Ca -0.04 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.33 1pwk s ILE 85 Cb -0.17 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 1pwk s ILE 85 CO -0.08 0.59 -0.03 -1.48 0.00 0.00 0.00 174.94 173.95 1pwk s LEU 86 N -0.73 2.46 -0.29 2.97 0.05 0.66 -1.14 118.68 122.67 1pwk s LEU 86 Ca 0.11 -1.25 -0.17 0.00 0.05 0.00 0.00 54.13 52.87 1pwk s LEU 86 Cb -0.11 -0.62 0.15 0.00 -2.05 0.00 0.00 46.19 43.56 1pwk s LEU 86 CO 0.02 -0.40 1.02 -0.22 -0.55 0.00 0.00 176.35 176.22 1pwk s LEU 87 N -3.48 -0.44 0.16 1.48 0.20 -0.61 -0.30 118.68 115.68 1pwk s LEU 87 Ca 0.32 0.72 -0.23 0.00 0.69 0.00 0.00 54.13 55.62 1pwk s LEU 87 Cb 0.05 1.67 0.07 0.00 -0.43 0.00 0.00 46.19 47.55 1pwk s LEU 87 CO 0.13 -0.11 0.64 0.72 -0.29 0.00 0.00 176.35 177.44 1pwk s PHE 88 N 1.17 -0.48 -0.35 5.38 -0.71 -1.25 -0.14 117.98 121.59 1pwk s PHE 88 Ca -0.07 0.26 -0.04 0.00 -1.04 0.00 0.00 56.93 56.03 1pwk s PHE 88 Cb -0.04 0.57 0.07 0.00 -1.21 0.00 0.00 43.02 42.41 1pwk s PHE 88 CO -0.14 -0.86 0.11 0.21 -1.34 0.00 0.00 175.22 173.21 1pwk s LYS 89 N -3.70 2.40 -0.26 1.99 2.47 -1.19 0.11 119.74 121.55 1pwk s LYS 89 Ca 0.02 -1.40 0.03 0.00 -1.56 0.00 0.00 55.97 53.07 1pwk s LYS 89 Cb -0.01 -3.43 0.43 0.00 -1.46 0.00 0.00 37.83 33.35 1pwk s LYS 89 CO -0.11 -0.78 1.54 0.45 0.16 0.00 0.00 175.35 176.61 1pwk n SER 90 N 4.71 3.54 0.00 1.43 2.88 -1.26 -4.30 113.62 120.62 1pwk n SER 90 Ca -0.10 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1pwk n SER 90 Cb 0.43 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42