#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 -1.24 -2.49 7.83 3.41 -1.26 -5.06 113.62 114.81 1pwk n SER 2 Ca 0.00 -1.85 -0.04 0.00 -0.26 0.00 0.00 58.87 56.72 1pwk n SER 2 Cb 0.00 1.07 0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1pwk n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pwk n ASP 3 N 0.69 -6.56 -2.75 4.04 9.92 -1.26 -4.95 116.55 115.68 1pwk n ASP 3 Ca -0.04 0.64 -0.10 0.00 -0.53 0.00 0.00 54.79 54.76 1pwk n ASP 3 Cb 0.75 -4.34 0.05 0.00 -0.64 0.00 0.00 41.12 36.93 1pwk n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1pwk n ARG 4 N -0.05 1.12 0.05 -1.24 5.12 -1.26 -4.14 116.66 116.26 1pwk n ARG 4 Ca 0.06 -2.87 -0.11 0.00 -1.93 0.00 0.00 57.85 53.00 1pwk n ARG 4 Cb 0.23 -1.02 0.01 0.00 -1.16 0.00 0.00 32.46 30.52 1pwk n ARG 4 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1pwk h LYS 5 N 2.77 0.43 -5.63 5.56 2.10 -1.90 -3.45 116.57 116.44 1pwk h LYS 5 Ca -0.11 -0.37 -0.10 0.00 -2.00 0.00 0.00 60.65 58.06 1pwk h LYS 5 Cb 1.17 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1pwk h LYS 5 CO 0.35 1.02 -0.47 0.00 -2.00 0.00 0.00 179.45 178.35 1pwk n ALA 6 N -2.52 -2.72 -3.18 0.07 0.00 -1.25 -4.88 120.51 106.03 1pwk n ALA 6 Ca -0.05 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 1pwk n ALA 6 Cb 0.74 -2.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.65 1pwk n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pwk s VAL 7 N -2.66 3.98 0.66 0.00 1.01 0.44 -4.93 120.40 118.90 1pwk s VAL 7 Ca 0.14 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1pwk s VAL 7 Cb -0.03 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1pwk s VAL 7 CO 0.79 0.14 1.05 -0.63 0.00 0.00 0.00 175.10 176.45 1pwk s ILE 8 N 1.52 4.16 0.00 2.22 1.01 -1.26 0.27 121.20 129.11 1pwk s ILE 8 Ca 0.03 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1pwk s ILE 8 Cb -0.17 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1pwk s ILE 8 CO 0.02 -0.87 0.00 0.29 0.00 0.00 0.00 174.94 174.39 1pwk n LYS 9 N -2.86 0.00 -3.57 2.79 4.76 -0.66 -4.82 118.16 113.80 1pwk n LYS 9 Ca 0.07 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.30 1pwk n LYS 9 Cb 0.54 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.71 1pwk n LYS 9 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1pwk s ASN 10 N -2.58 4.98 0.00 4.39 -0.87 -0.36 -4.99 114.94 115.50 1pwk s ASN 10 Ca 0.00 -0.86 0.00 0.00 -1.57 0.00 0.00 52.86 50.43 1pwk s ASN 10 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 1pwk s ASN 10 CO 0.00 -0.82 0.00 0.00 -2.57 0.00 0.00 177.10 173.71 1pwk n ALA 11 N -1.67 0.00 -1.08 0.60 0.00 -1.26 -2.61 120.51 114.49 1pwk n ALA 11 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1pwk n ALA 11 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.10 1pwk n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pwk n ASP 12 N 0.00 6.70 -3.75 0.00 9.92 0.72 -4.89 116.55 125.25 1pwk n ASP 12 Ca 0.00 -3.22 -0.20 0.00 -0.53 0.00 0.00 54.79 50.84 1pwk n ASP 12 Cb 0.00 -1.07 -0.03 0.00 -0.64 0.00 0.00 41.12 39.38 1pwk n ASP 12 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1pwk n MET 13 N 0.20 1.15 -0.03 -1.24 2.81 -1.25 -3.82 117.12 114.94 1pwk n MET 13 Ca 0.39 -2.34 -0.16 0.00 -1.81 0.00 0.00 57.70 53.78 1pwk n MET 13 Cb 0.58 0.54 -0.08 0.00 -0.71 0.00 0.00 33.22 33.55 1pwk n MET 13 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1pwk h SER 14 N 0.69 0.75 0.00 7.83 0.02 -1.96 -3.48 113.55 117.40 1pwk h SER 14 Ca -0.26 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1pwk h SER 14 Cb 0.82 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1pwk h SER 14 CO 0.43 1.25 0.00 -1.84 -1.14 0.00 0.00 176.83 175.52 1pwk n GLU 15 N -4.13 0.00 0.10 3.45 0.28 -1.26 -4.95 120.64 114.13 1pwk n GLU 15 Ca -0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.01 1pwk n GLU 15 Cb 0.64 0.00 0.41 0.00 1.43 0.00 0.00 31.44 33.92 1pwk n GLU 15 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1pwk n ASP 16 N 0.00 0.40 -0.02 -1.84 2.03 -1.26 -1.67 116.55 114.19 1pwk n ASP 16 Ca 0.00 0.65 -0.22 0.00 0.52 0.00 0.00 54.79 55.75 1pwk n ASP 16 Cb 0.00 -0.72 -0.13 0.00 -0.72 0.00 0.00 41.12 39.55 1pwk n ASP 16 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1pwk h MET 17 N 0.00 0.19 0.00 -0.67 2.86 -1.95 -0.95 114.93 114.41 1pwk h MET 17 Ca 0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1pwk h MET 17 Cb 0.12 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1pwk h MET 17 CO 0.00 1.15 0.00 -0.56 1.06 0.00 0.00 176.91 178.56 1pwk h GLN 18 N -0.30 0.00 0.06 1.72 -0.00 -1.82 1.42 115.11 116.20 1pwk h GLN 18 Ca -0.38 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.05 1pwk h GLN 18 Cb 1.78 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.25 1pwk h GLN 18 CO -0.00 0.00 -1.15 1.96 -0.00 0.00 0.00 178.83 179.64 1pwk h GLN 19 N 0.00 0.14 0.00 0.06 4.20 -1.39 -2.52 115.11 115.60 1pwk h GLN 19 Ca 0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1pwk h GLN 19 Cb 0.32 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1pwk h GLN 19 CO 0.00 1.11 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.77 1pwk h ASP 20 N -0.61 0.00 0.06 1.46 5.19 -0.74 -1.58 116.42 120.20 1pwk h ASP 20 Ca -0.27 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1pwk h ASP 20 Cb 1.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1pwk h ASP 20 CO -0.03 0.06 -0.03 0.00 -3.12 0.00 0.00 179.24 176.13 1pwk h ALA 21 N 1.94 -0.08 0.00 3.45 0.00 0.18 0.24 119.26 125.00 1pwk h ALA 21 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1pwk h ALA 21 Cb 0.69 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pwk h ALA 21 CO 0.01 -0.17 -0.15 0.28 0.00 0.00 0.00 179.25 179.22 1pwk h VAL 22 N -0.82 0.95 0.05 0.00 2.07 -1.39 -0.06 116.25 117.05 1pwk h VAL 22 Ca -0.01 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pwk h VAL 22 Cb 0.64 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1pwk h VAL 22 CO 0.01 0.15 -0.03 0.44 0.02 0.00 0.00 177.57 178.17 1pwk h ASP 23 N 0.00 -0.06 0.00 0.57 3.32 -1.29 -0.74 116.42 118.23 1pwk h ASP 23 Ca -0.00 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1pwk h ASP 23 Cb 0.30 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1pwk h ASP 23 CO 0.02 0.65 0.11 0.00 -1.72 0.00 0.00 179.24 178.30 1pwk h ALA 25 N 1.77 0.50 0.09 0.00 0.00 -0.92 -1.41 119.26 119.29 1pwk h ALA 25 Ca 0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 54.91 53.47 1pwk h ALA 25 Cb 0.22 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1pwk h ALA 25 CO 0.00 1.35 -0.88 1.15 0.00 0.00 0.00 179.25 180.87 1pwk h THR 26 N 0.03 1.41 -0.00 0.00 2.02 0.11 -1.77 112.91 114.71 1pwk h THR 26 Ca -0.22 -2.35 -0.19 0.00 0.77 0.00 0.00 66.41 64.41 1pwk h THR 26 Cb 1.96 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 71.19 1pwk h THR 26 CO 0.12 0.69 -0.84 0.06 0.37 0.00 0.00 175.52 175.91 1pwk h GLN 27 N -0.07 0.18 -0.38 6.66 3.07 -0.48 0.00 115.11 124.08 1pwk h GLN 27 Ca -0.14 -0.18 -0.13 0.00 0.09 0.00 0.00 58.65 58.29 1pwk h GLN 27 Cb 1.62 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 29.22 1pwk h GLN 27 CO 0.17 0.92 -0.29 0.00 0.09 0.00 0.00 178.83 179.72 1pwk h ALA 28 N 1.02 0.77 0.00 0.06 0.00 -1.32 0.51 119.26 120.30 1pwk h ALA 28 Ca -0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1pwk h ALA 28 Cb 1.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1pwk h ALA 28 CO 0.13 0.65 -0.17 0.52 0.00 0.00 0.00 179.25 180.38 1pwk h MET 29 N 0.70 0.00 0.19 0.00 2.86 -1.25 0.96 114.93 118.38 1pwk h MET 29 Ca 0.08 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.38 1pwk h MET 29 Cb 0.83 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.50 1pwk h MET 29 CO 0.07 0.17 -1.66 1.49 1.06 0.00 0.00 176.91 178.04 1pwk h GLU 30 N 0.00 0.41 0.05 1.72 4.57 -0.64 -3.37 114.58 117.32 1pwk h GLU 30 Ca -0.00 -0.70 -0.29 0.00 -1.18 0.00 0.00 59.36 57.19 1pwk h GLU 30 Cb 1.05 0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.88 1pwk h GLU 30 CO 0.02 1.34 -1.54 -0.22 -1.18 0.00 0.00 179.01 177.42 1pwk h LYS 31 N 0.07 0.10 -4.85 1.92 1.63 -0.01 -3.46 116.57 111.97 1pwk h LYS 31 Ca -0.32 -0.17 -0.51 0.00 -0.85 0.00 0.00 60.65 58.80 1pwk h LYS 31 Cb 2.08 0.06 -0.32 0.00 -0.60 0.00 0.00 32.23 33.45 1pwk h LYS 31 CO 0.19 0.84 -0.81 0.71 -3.45 0.00 0.00 179.45 176.93 1pwk s TYR 32 N -2.62 1.40 -0.59 1.91 2.02 0.33 -5.01 117.35 114.79 1pwk s TYR 32 Ca -0.06 -0.42 0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1pwk s TYR 32 Cb 0.08 -0.98 0.41 0.00 -0.40 0.00 0.00 41.96 41.07 1pwk s TYR 32 CO 0.83 -0.18 1.33 0.09 -1.57 0.00 0.00 175.55 176.05 1pwk n ASN 33 N 3.40 3.38 -1.37 2.29 5.03 -1.26 -3.24 115.26 123.48 1pwk n ASN 33 Ca -0.20 -2.46 0.00 0.00 0.87 0.00 0.00 54.58 52.79 1pwk n ASN 33 Cb 0.53 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 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 0.06 0.00 0.00 2.41 5.41 -1.26 -5.06 119.36 120.92 1pwk n ILE 34 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1pwk n ILE 34 Cb 0.64 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 1pwk n ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pwk n GLU 35 N -0.34 0.82 0.05 0.38 1.02 -1.26 -4.37 120.64 116.94 1pwk n GLU 35 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1pwk n GLU 35 Cb 0.00 -0.96 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 1pwk n GLU 35 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1pwk n LYS 36 N -1.43 0.59 -0.00 3.49 2.85 -1.26 -3.38 118.16 119.01 1pwk n LYS 36 Ca 0.00 -0.02 -0.05 0.00 -1.05 0.00 0.00 58.31 57.19 1pwk n LYS 36 Cb 0.05 -1.68 -0.12 0.00 -0.65 0.00 0.00 35.03 32.63 1pwk n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1pwk n ASP 37 N -2.42 0.85 0.06 -5.58 9.92 -1.26 -1.40 116.55 116.71 1pwk n ASP 37 Ca -0.01 0.39 -0.08 0.00 -0.53 0.00 0.00 54.79 54.56 1pwk n ASP 37 Cb 0.54 0.05 0.06 0.00 -0.64 0.00 0.00 41.12 41.13 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 -1.76 1.16 117.51 119.89 1pwk h ILE 38 Ca -0.24 -2.06 -0.16 0.00 -0.39 0.00 0.00 64.86 62.01 1pwk h ILE 38 Cb 1.83 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 37.61 1pwk h ILE 38 CO 0.06 0.62 -0.92 0.00 -0.69 0.00 0.00 178.15 177.23 1pwk h ALA 39 N 1.02 0.59 0.00 1.87 0.00 -1.65 -2.03 119.26 119.06 1pwk h ALA 39 Ca -0.02 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1pwk h ALA 39 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pwk h ALA 39 CO 0.11 0.93 -0.76 0.00 0.00 0.00 0.00 179.25 179.54 1pwk h ALA 40 N 1.31 0.66 0.09 0.00 0.00 -1.02 -1.37 119.26 118.93 1pwk h ALA 40 Ca -0.06 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 1pwk h ALA 40 Cb 1.58 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1pwk h ALA 40 CO 0.08 0.17 -1.53 -0.92 0.00 0.00 0.00 179.25 177.05 1pwk h TYR 41 N 0.00 0.34 0.05 0.00 5.03 0.14 -1.15 116.97 121.38 1pwk h TYR 41 Ca -0.02 -0.25 -0.26 0.00 2.58 0.00 0.00 58.73 60.78 1pwk h TYR 41 Cb 1.11 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.35 1pwk h TYR 41 CO 0.00 1.31 -1.29 0.82 -1.32 0.00 0.00 178.16 177.68 1pwk h ILE 42 N 0.05 1.39 0.02 1.81 2.04 -1.46 -0.74 117.51 120.62 1pwk h ILE 42 Ca -0.24 -3.09 -0.22 0.00 1.00 0.00 0.00 64.86 62.32 1pwk h ILE 42 Cb 1.99 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 40.82 1pwk h ILE 42 CO 0.14 0.84 -1.02 0.50 0.00 0.00 0.00 178.15 178.61 1pwk h LYS 43 N 0.03 0.05 0.00 2.37 3.64 -1.36 -2.46 116.57 118.84 1pwk h LYS 43 Ca -0.14 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1pwk h LYS 43 Cb 1.91 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.74 1pwk h LYS 43 CO 0.14 1.02 -0.73 1.57 -2.27 0.00 0.00 179.45 179.18 1pwk h LYS 44 N 0.01 0.00 -0.22 1.90 2.10 -1.26 -0.53 116.57 118.58 1pwk h LYS 44 Ca -0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 1pwk h LYS 44 Cb 1.77 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1pwk h LYS 44 CO 0.14 0.47 -0.36 1.49 -2.00 0.00 0.00 179.45 179.18 1pwk h GLU 45 N 0.00 0.63 0.17 0.07 4.81 -1.08 -1.73 114.58 117.44 1pwk h GLU 45 Ca -0.04 -0.39 -0.28 0.00 -0.13 0.00 0.00 59.36 58.53 1pwk h GLU 45 Cb 1.44 0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.87 1pwk h GLU 45 CO 0.06 1.00 -1.31 0.74 -0.73 0.00 0.00 179.01 178.77 1pwk h PHE 46 N 0.32 0.64 -0.90 0.92 0.04 -1.52 -2.82 116.94 113.63 1pwk h PHE 46 Ca 0.02 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1pwk h PHE 46 Cb 0.96 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 1pwk h PHE 46 CO 0.09 1.51 0.58 0.22 -0.60 0.00 0.00 178.31 180.10 1pwk h ASP 47 N -0.16 1.05 0.06 2.17 3.58 -1.19 -0.52 116.42 121.42 1pwk h ASP 47 Ca -0.25 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1pwk h ASP 47 Cb 1.88 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.66 1pwk h ASP 47 CO 0.16 0.77 -0.08 1.17 -2.88 0.00 0.00 179.24 178.38 1pwk n LYS 48 N -4.39 1.42 -2.81 0.28 4.81 -0.65 -3.92 118.16 112.90 1pwk n LYS 48 Ca 0.10 -0.84 -0.11 0.00 -0.87 0.00 0.00 58.31 56.60 1pwk n LYS 48 Cb 0.03 -1.48 0.06 0.00 0.02 0.00 0.00 35.03 33.66 1pwk n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1pwk n LYS 49 N -0.05 1.08 0.00 1.64 3.00 -0.76 -4.95 118.16 118.12 1pwk n LYS 49 Ca 0.17 -2.46 0.00 0.00 -0.00 0.00 0.00 58.31 56.02 1pwk n LYS 49 Cb 0.36 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.43 1pwk n LYS 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1pwk n TYR 50 N 0.02 0.00 0.00 5.64 4.19 -0.28 -4.74 117.16 121.99 1pwk n TYR 50 Ca 0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.29 1pwk n TYR 50 Cb 0.75 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.58 1pwk n TYR 50 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1pwk n ASN 51 N 0.00 0.00 -4.83 2.98 5.03 -0.99 -5.04 115.26 112.41 1pwk n ASN 51 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1pwk n ASN 51 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1pwk s PRO 52 N -3.11 4.11 0.00 3.52 0.04 -1.26 -3.95 135.00 134.35 1pwk s PRO 52 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1pwk s PRO 52 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1pwk s PRO 52 CO 0.00 -0.05 0.49 2.41 0.04 0.00 0.00 177.00 179.89 1pwk n THR 53 N -0.83 0.23 -1.38 1.26 -1.04 -1.26 -4.92 114.28 106.34 1pwk n THR 53 Ca 0.06 -0.32 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 1pwk n THR 53 Cb 0.54 1.13 -0.01 0.00 -1.82 0.00 0.00 70.33 70.18 1pwk n THR 53 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1pwk n TRP 54 N -0.12 -2.85 -2.62 -1.42 7.02 -1.26 -4.70 117.44 111.49 1pwk n TRP 54 Ca 0.00 1.55 -0.18 0.00 -1.02 0.00 0.00 57.50 57.85 1pwk n TRP 54 Cb 0.30 -2.41 0.01 0.00 -2.42 0.00 0.00 31.31 26.79 1pwk n TRP 54 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1pwk n HIS 55 N -2.56 2.20 -2.14 -5.99 8.25 0.34 -4.95 115.22 110.38 1pwk n HIS 55 Ca -0.01 -3.02 -0.41 0.00 -0.26 0.00 0.00 57.72 54.02 1pwk n HIS 55 Cb 0.34 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 7.11 4.15 0.04 0.00 1.01 -0.32 -4.66 121.20 128.54 1pwk s ILE 57 Ca 0.68 -1.37 0.06 0.00 0.00 0.00 0.00 60.65 60.03 1pwk s ILE 57 Cb -0.16 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1pwk s ILE 57 CO 0.28 -0.28 -0.18 0.54 0.00 0.00 0.00 174.94 175.30 1pwk s VAL 58 N -2.19 1.40 0.00 2.92 0.11 -1.26 -0.26 120.40 121.12 1pwk s VAL 58 Ca 0.36 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1pwk s VAL 58 Cb -0.07 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1pwk s VAL 58 CO 0.26 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 1pwk n GLY 59 N 1.85 3.29 0.31 6.54 0.00 0.41 -4.91 105.19 112.67 1pwk n GLY 59 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1pwk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwk n ARG 60 N 0.00 0.00 -2.73 1.61 1.74 -1.26 -1.85 116.66 114.17 1pwk n ARG 60 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1pwk n ARG 60 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 1pwk n ARG 60 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1pwk n SER 61 N -1.23 -0.40 -0.06 0.55 3.41 -1.26 -3.19 113.62 111.43 1pwk n SER 61 Ca 0.00 -2.16 0.08 0.00 -0.26 0.00 0.00 58.87 56.53 1pwk n SER 61 Cb 0.00 0.28 0.45 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.21 -0.85 2.87 5.00 0.00 -1.26 -4.92 105.19 104.82 1pwk n GLY 62 Ca -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.62 -6.62 -3.66 1.61 4.05 -1.26 -5.00 115.26 103.76 1pwk n ASN 63 Ca 0.12 -0.22 -0.27 0.00 0.45 0.00 0.00 54.58 54.65 1pwk n ASN 63 Cb 0.08 -4.60 -0.11 0.00 1.23 0.00 0.00 39.78 36.38 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 -2.05 1.92 0.00 1.20 1.16 -1.26 -4.76 117.46 113.67 1pwk n PHE 64 Ca -0.02 -3.97 0.00 0.00 -1.87 0.00 0.00 57.45 51.59 1pwk n PHE 64 Cb 0.53 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 38.05 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 2.03 0.00 1.54 4.97 0.00 -1.26 -4.81 105.19 107.66 1pwk n GLY 65 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.08 3.42 0.00 1.61 7.64 -1.26 -4.21 113.62 120.74 1pwk n SER 66 Ca 0.00 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1pwk n SER 66 Cb 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 -0.19 0.00 0.21 1.43 4.11 -1.26 -4.92 117.16 116.54 1pwk n TYR 67 Ca 0.27 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.30 1pwk n TYR 67 Cb 1.02 0.00 0.67 0.00 -0.00 0.00 0.00 39.34 41.03 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1pwk h VAL 68 N 0.00 0.00 -0.34 -3.48 2.07 -1.91 -2.84 116.25 109.75 1pwk h VAL 68 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1pwk h VAL 68 Cb 0.00 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1pwk h VAL 68 CO 0.00 0.00 -0.34 0.74 0.02 0.00 0.00 177.57 177.99 1pwk h THR 69 N 0.00 0.23 -0.13 2.57 2.02 -1.92 -3.45 112.91 112.24 1pwk h THR 69 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1pwk h THR 69 Cb 0.19 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1pwk h THR 69 CO 0.00 0.00 -0.03 1.41 0.37 0.00 0.00 175.52 177.27 1pwk n HIS 70 N -5.41 -0.02 -0.92 3.16 8.25 -1.07 -0.26 115.22 118.94 1pwk n HIS 70 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pwk n HIS 70 Cb 0.34 -1.81 0.00 0.00 1.12 0.00 0.00 29.99 29.63 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1pwk n GLU 71 N 0.47 0.00 -0.09 -0.41 -0.58 -1.26 -4.96 120.64 113.82 1pwk n GLU 71 Ca -0.02 0.00 0.26 0.00 -0.42 0.00 0.00 57.16 56.98 1pwk n GLU 71 Cb 0.41 -1.28 0.69 0.00 -0.57 0.00 0.00 31.44 30.69 1pwk n GLU 71 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1pwk h THR 72 N 0.00 0.32 0.00 2.62 2.02 -0.89 -3.44 112.91 113.53 1pwk h THR 72 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1pwk h THR 72 Cb 0.41 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1pwk h THR 72 CO 0.00 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.06 1pwk n LYS 73 N -3.77 0.00 0.00 6.66 3.00 -1.26 -4.74 118.16 118.05 1pwk n LYS 73 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1pwk n LYS 73 Cb 0.97 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.65 1pwk n LYS 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1pwk n HIS 74 N -2.00 0.00 -3.12 5.64 1.44 -1.26 -4.97 115.22 110.95 1pwk n HIS 74 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pwk n HIS 74 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1pwk n HIS 74 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 1pwk n PHE 75 N -0.22 0.00 -3.55 -1.40 -1.74 -1.25 -3.77 117.46 105.53 1pwk n PHE 75 Ca 0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 1pwk n PHE 75 Cb 0.00 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 40.96 1pwk n PHE 75 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 1pwk s ILE 76 N -3.00 0.04 -0.24 1.97 2.07 -0.07 -0.20 121.20 121.77 1pwk s ILE 76 Ca 0.00 -0.31 -0.06 0.00 -1.41 0.00 0.00 60.65 58.87 1pwk s ILE 76 Cb 0.00 -1.06 0.11 0.00 0.13 0.00 0.00 42.46 41.64 1pwk s ILE 76 CO 0.00 -0.17 0.48 -0.47 -1.91 0.00 0.00 174.94 172.87 1pwk s TYR 77 N -3.46 -1.00 0.21 3.50 5.04 -1.07 -0.77 117.35 119.80 1pwk s TYR 77 Ca 0.00 1.63 -0.01 0.00 -2.44 0.00 0.00 57.07 56.26 1pwk s TYR 77 Cb 0.00 0.40 -0.04 0.00 0.35 0.00 0.00 41.96 42.67 1pwk s TYR 77 CO -0.10 -0.59 0.12 -0.59 -1.34 0.00 0.00 175.55 173.05 1pwk s PHE 78 N 2.69 1.24 0.21 4.97 -0.12 -0.59 -1.23 117.98 125.14 1pwk s PHE 78 Ca 0.01 -1.34 0.11 0.00 -0.05 0.00 0.00 56.93 55.66 1pwk s PHE 78 Cb -0.13 -0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1pwk s PHE 78 CO -0.15 -0.58 -0.19 0.71 -0.05 0.00 0.00 175.22 174.96 1pwk s TYR 79 N -4.07 2.39 -0.40 3.49 2.02 0.14 -1.53 117.35 119.39 1pwk s TYR 79 Ca 0.39 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 1pwk s TYR 79 Cb 0.07 -1.15 0.16 0.00 -0.40 0.00 0.00 41.96 40.64 1pwk s TYR 79 CO 0.12 0.54 0.30 -1.17 -1.57 0.00 0.00 175.55 173.77 1pwk s LEU 80 N -2.88 1.38 0.00 -1.29 2.96 0.24 -0.42 118.68 118.68 1pwk s LEU 80 Ca 0.24 -2.78 0.00 0.00 -0.22 0.00 0.00 54.13 51.37 1pwk s LEU 80 Cb -0.08 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.14 1pwk s LEU 80 CO 0.12 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.55 1pwk n GLY 81 N 3.24 1.43 0.00 7.98 0.00 -1.26 -1.40 105.19 115.18 1pwk n GLY 81 Ca 0.23 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1pwk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwk n GLN 82 N 0.00 0.35 -4.00 1.61 10.64 -1.26 -4.89 117.38 119.83 1pwk n GLN 82 Ca 0.00 -0.66 -0.25 0.00 -1.83 0.00 0.00 57.00 54.26 1pwk n GLN 82 Cb 0.00 -0.84 -0.04 0.00 -0.86 0.00 0.00 30.24 28.50 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwk s VAL 83 N -0.26 5.04 -0.14 -0.39 1.01 -0.50 -4.06 120.40 121.10 1pwk s VAL 83 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1pwk s VAL 83 Cb 0.00 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1pwk s VAL 83 CO 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 175.10 174.99 1pwk s ALA 84 N -1.82 0.66 -0.10 5.51 0.00 -0.77 -0.59 121.76 124.64 1pwk s ALA 84 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1pwk s ALA 84 Cb -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1pwk s ALA 84 CO 0.27 -0.93 -0.04 0.42 0.00 0.00 0.00 175.76 175.48 1pwk s ILE 85 N 2.01 3.90 -0.24 0.00 1.01 -0.58 0.16 121.20 127.45 1pwk s ILE 85 Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1pwk s ILE 85 Cb -0.15 -2.64 0.07 0.00 0.01 0.00 0.00 42.46 39.75 1pwk s ILE 85 CO -0.07 0.56 0.04 -1.48 0.00 0.00 0.00 174.94 173.99 1pwk s LEU 86 N -0.42 1.91 0.06 2.97 2.34 0.64 -1.55 118.68 124.63 1pwk s LEU 86 Ca 0.07 -1.20 -0.02 0.00 0.06 0.00 0.00 54.13 53.04 1pwk s LEU 86 Cb -0.12 -0.84 -0.04 0.00 -0.56 0.00 0.00 46.19 44.63 1pwk s LEU 86 CO 0.02 -0.33 0.25 -0.22 -1.06 0.00 0.00 176.35 175.01 1pwk s LEU 87 N 1.66 4.34 0.00 1.48 0.20 0.05 -1.18 118.68 125.23 1pwk s LEU 87 Ca 0.02 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.22 1pwk s LEU 87 Cb -0.18 -2.97 0.00 0.00 -0.43 0.00 0.00 46.19 42.62 1pwk s LEU 87 CO -0.13 0.16 0.00 2.22 -0.29 0.00 0.00 176.35 178.31 1pwk n PHE 88 N 0.41 0.00 -3.37 5.38 1.16 -1.26 -0.89 117.46 118.89 1pwk n PHE 88 Ca -0.06 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.08 1pwk n PHE 88 Cb 0.52 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.31 1pwk n PHE 88 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1pwk s LYS 89 N -1.16 3.00 -0.15 3.97 2.47 -1.25 -0.50 119.74 126.12 1pwk s LYS 89 Ca 0.00 -1.24 0.01 0.00 -1.56 0.00 0.00 55.97 53.19 1pwk s LYS 89 Cb 0.00 -4.10 0.22 0.00 -1.46 0.00 0.00 37.83 32.48 1pwk s LYS 89 CO 0.00 -1.01 1.33 0.43 0.16 0.00 0.00 175.35 176.26 1pwk n SER 90 N 5.32 3.35 0.00 1.43 7.64 -1.26 -4.66 113.62 125.44 1pwk n SER 90 Ca -0.11 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1pwk n SER 90 Cb 0.44 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64