#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 -0.44 -2.47 7.83 2.88 -1.26 -5.08 113.62 115.08 1pwk n SER 2 Ca 0.00 -2.14 -0.05 0.00 -1.33 0.00 0.00 58.87 55.36 1pwk n SER 2 Cb 0.00 0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 1pwk n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1pwk n ASP 3 N -1.08 -0.97 -3.21 -3.46 -0.08 -1.26 -5.05 116.55 101.44 1pwk n ASP 3 Ca -0.10 1.20 -0.10 0.00 -1.51 0.00 0.00 54.79 54.28 1pwk n ASP 3 Cb 0.85 -4.79 -0.04 0.00 2.34 0.00 0.00 41.12 39.48 1pwk n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pwk s ARG 4 N -0.77 0.80 0.00 -0.67 1.70 -1.26 -5.01 118.95 113.74 1pwk s ARG 4 Ca -0.24 -0.82 0.00 0.00 -0.47 0.00 0.00 55.73 54.20 1pwk s ARG 4 Cb 0.02 -0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.00 1pwk s ARG 4 CO 0.71 -1.24 0.00 1.17 -1.08 0.00 0.00 175.30 174.86 1pwk n LYS 5 N 3.95 0.00 -2.82 3.89 0.00 -1.26 -4.83 118.16 117.08 1pwk n LYS 5 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 58.02 1pwk n LYS 5 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.53 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 -1.72 3.55 0.15 3.14 0.00 -1.25 0.15 121.76 125.78 1pwk s ALA 6 Ca 0.00 -2.99 0.10 0.00 0.00 0.00 0.00 51.96 49.06 1pwk s ALA 6 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 1pwk s ALA 6 CO 0.00 -3.03 -0.22 0.08 0.00 0.00 0.00 175.76 172.59 1pwk s VAL 7 N 2.78 2.01 0.36 0.00 1.01 -0.41 -4.97 120.40 121.18 1pwk s VAL 7 Ca 0.43 -1.83 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1pwk s VAL 7 Cb -0.02 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1pwk s VAL 7 CO -0.02 -0.13 0.59 -0.63 0.00 0.00 0.00 175.10 174.91 1pwk s ILE 8 N -1.56 5.06 0.02 2.22 1.01 -1.26 -0.68 121.20 126.01 1pwk s ILE 8 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1pwk s ILE 8 Cb -0.08 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1pwk s ILE 8 CO 0.07 -0.56 -0.05 1.17 0.00 0.00 0.00 174.94 175.56 1pwk n LYS 9 N -1.70 0.08 -3.78 2.79 4.81 0.10 -4.90 118.16 115.56 1pwk n LYS 9 Ca -0.03 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1pwk n LYS 9 Cb 0.56 -0.64 -0.06 0.00 0.02 0.00 0.00 35.03 34.91 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1pwk s ASN 10 N -5.71 -0.03 -0.30 3.14 2.47 -1.07 -5.03 114.94 108.41 1pwk s ASN 10 Ca -0.05 -0.54 -0.25 0.00 0.42 0.00 0.00 52.86 52.45 1pwk s ASN 10 Cb 0.01 0.41 0.18 0.00 -1.45 0.00 0.00 41.25 40.40 1pwk s ASN 10 CO 0.07 -0.80 1.36 0.00 -3.72 0.00 0.00 177.10 174.01 1pwk s ALA 11 N -3.85 -2.20 -0.59 1.71 0.00 -1.26 0.41 121.76 115.97 1pwk s ALA 11 Ca 0.05 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.75 1pwk s ALA 11 Cb 0.03 -1.74 0.43 0.00 0.00 0.00 0.00 23.12 21.85 1pwk s ALA 11 CO -0.10 -0.13 1.76 -0.25 0.00 0.00 0.00 175.76 177.03 1pwk n ASP 12 N 1.77 6.77 -4.51 0.00 9.92 0.34 -4.93 116.55 125.92 1pwk n ASP 12 Ca -0.11 -3.78 -0.26 0.00 -0.53 0.00 0.00 54.79 50.11 1pwk n ASP 12 Cb 0.57 -0.80 -0.10 0.00 -0.64 0.00 0.00 41.12 40.15 1pwk n ASP 12 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1pwk s MET 13 N -3.79 1.81 0.30 -1.24 -1.94 -1.23 -4.02 119.30 109.18 1pwk s MET 13 Ca 0.58 -1.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1pwk s MET 13 Cb 0.46 -1.96 0.54 0.00 2.01 0.00 0.00 34.83 35.88 1pwk s MET 13 CO -0.08 0.39 1.89 1.03 -0.01 0.00 0.00 175.02 178.23 1pwk h SER 14 N 2.74 0.91 0.00 3.03 0.87 -1.96 -3.46 113.55 115.69 1pwk h SER 14 Ca -0.45 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1pwk h SER 14 Cb 1.22 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1pwk h SER 14 CO 0.54 0.56 0.00 -1.84 -0.53 0.00 0.00 176.83 175.56 1pwk n GLU 15 N -4.52 0.00 0.31 2.24 0.28 -1.26 -4.97 120.64 112.71 1pwk n GLU 15 Ca 0.15 0.00 0.21 0.00 -0.16 0.00 0.00 57.16 57.36 1pwk n GLU 15 Cb 0.25 0.00 1.11 0.00 1.43 0.00 0.00 31.44 34.24 1pwk n GLU 15 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1pwk h ASP 16 N 0.88 0.00 0.18 -1.84 3.32 -1.99 -1.36 116.42 115.61 1pwk h ASP 16 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1pwk h ASP 16 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1pwk h ASP 16 CO 0.00 0.00 -1.76 0.24 -1.72 0.00 0.00 179.24 176.00 1pwk h MET 17 N 0.00 0.38 0.00 3.56 2.86 -1.93 -0.66 114.93 119.15 1pwk h MET 17 Ca 0.00 -0.65 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 1pwk h MET 17 Cb 0.02 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1pwk h MET 17 CO 0.00 1.31 -0.04 1.96 1.06 0.00 0.00 176.91 181.20 1pwk h GLN 18 N 0.09 0.00 0.02 1.72 1.08 -1.66 1.77 115.11 118.12 1pwk h GLN 18 Ca -0.35 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.72 1pwk h GLN 18 Cb 2.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.50 1pwk h GLN 18 CO 0.17 0.04 -0.66 0.37 -0.95 0.00 0.00 178.83 177.80 1pwk h GLN 19 N 0.00 0.04 0.00 1.46 4.15 -1.38 -2.33 115.11 117.05 1pwk h GLN 19 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1pwk h GLN 19 Cb 0.14 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1pwk h GLN 19 CO 0.01 1.03 0.00 -0.25 -1.93 0.00 0.00 178.83 177.68 1pwk n ASP 20 N -4.45 0.58 -0.01 -0.69 8.00 -0.26 -1.88 116.55 117.83 1pwk n ASP 20 Ca -0.20 0.61 -0.22 0.00 0.71 0.00 0.00 54.79 55.69 1pwk n ASP 20 Cb 0.61 -0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 40.84 1pwk n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwk h ALA 21 N 2.42 0.28 -0.07 2.24 0.00 0.26 -1.67 119.26 122.71 1pwk h ALA 21 Ca 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 54.91 53.61 1pwk h ALA 21 Cb 0.46 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pwk h ALA 21 CO 0.00 0.96 -0.37 0.28 0.00 0.00 0.00 179.25 180.12 1pwk h VAL 22 N -0.32 1.29 0.18 0.00 2.07 -1.33 0.32 116.25 118.46 1pwk h VAL 22 Ca -0.35 -1.37 -0.35 0.00 0.82 0.00 0.00 66.70 65.45 1pwk h VAL 22 Cb 1.76 1.65 0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1pwk h VAL 22 CO 0.02 0.40 -1.75 -2.24 0.02 0.00 0.00 177.57 174.02 1pwk h ASP 23 N 0.12 0.58 0.67 0.57 3.04 -1.52 -1.48 116.42 118.40 1pwk h ASP 23 Ca 0.01 -0.94 0.00 0.00 -3.24 0.00 0.00 57.03 52.87 1pwk h ASP 23 Cb 0.72 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 1pwk h ASP 23 CO 0.05 1.79 0.00 0.00 -2.04 0.00 0.00 179.24 179.04 1pwk h ALA 25 N 2.14 0.41 -0.19 0.00 0.00 -0.35 -1.29 119.26 119.97 1pwk h ALA 25 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 54.91 53.48 1pwk h ALA 25 Cb 0.34 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pwk h ALA 25 CO 0.00 1.27 -0.44 1.15 0.00 0.00 0.00 179.25 181.24 1pwk h THR 26 N 0.06 1.33 -0.07 0.00 2.02 -0.55 -0.27 112.91 115.43 1pwk h THR 26 Ca -0.34 -1.67 -0.20 0.00 0.77 0.00 0.00 66.41 64.97 1pwk h THR 26 Cb 2.04 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1pwk h THR 26 CO 0.12 0.52 -0.81 1.56 0.37 0.00 0.00 175.52 177.28 1pwk h GLN 27 N 0.32 0.48 -0.34 6.66 7.50 -0.62 -0.51 115.11 128.59 1pwk h GLN 27 Ca 0.00 -0.43 -0.06 0.00 0.50 0.00 0.00 58.65 58.66 1pwk h GLN 27 Cb 1.04 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.66 1pwk h GLN 27 CO 0.10 1.07 -0.04 0.00 -1.50 0.00 0.00 178.83 178.45 1pwk h ALA 28 N 0.80 1.30 0.00 3.87 0.00 -1.20 0.84 119.26 124.87 1pwk h ALA 28 Ca -0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1pwk h ALA 28 Cb 1.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1pwk h ALA 28 CO 0.14 0.47 -0.49 1.98 0.00 0.00 0.00 179.25 181.35 1pwk h MET 29 N 0.51 0.00 0.20 0.00 1.85 -0.90 0.61 114.93 117.20 1pwk h MET 29 Ca 0.10 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.86 1pwk h MET 29 Cb 0.40 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.45 1pwk h MET 29 CO 0.02 0.49 -1.59 1.49 -0.40 0.00 0.00 176.91 176.92 1pwk h GLU 30 N 0.00 0.43 0.00 0.39 4.81 -0.30 -3.36 114.58 116.55 1pwk h GLU 30 Ca -0.00 -0.73 -0.24 0.00 -0.13 0.00 0.00 59.36 58.26 1pwk h GLU 30 Cb 1.34 0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.95 1pwk h GLU 30 CO 0.06 1.35 -1.29 0.87 -0.73 0.00 0.00 179.01 179.27 1pwk h LYS 31 N 0.06 0.00 -4.45 1.92 1.57 0.61 -3.45 116.57 112.82 1pwk h LYS 31 Ca -0.30 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.03 1pwk h LYS 31 Cb 2.07 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 34.06 1pwk h LYS 31 CO 0.20 0.71 -0.79 0.71 -0.57 0.00 0.00 179.45 179.71 1pwk s TYR 32 N -2.69 1.03 -0.77 -1.35 2.02 0.21 -5.01 117.35 110.79 1pwk s TYR 32 Ca -0.01 -0.30 0.10 0.00 -0.37 0.00 0.00 57.07 56.49 1pwk s TYR 32 Cb 0.09 -0.77 0.30 0.00 -0.40 0.00 0.00 41.96 41.18 1pwk s TYR 32 CO 0.82 -0.16 1.25 0.09 -1.57 0.00 0.00 175.55 175.97 1pwk n ASN 33 N 3.59 2.93 -1.44 2.29 5.03 -1.26 -3.37 115.26 123.05 1pwk n ASN 33 Ca -0.21 -2.11 0.00 0.00 0.87 0.00 0.00 54.58 53.13 1pwk n ASN 33 Cb 0.53 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 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 0.31 0.00 0.00 2.41 5.41 -1.26 -5.06 119.36 121.17 1pwk n ILE 34 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1pwk n ILE 34 Cb 0.46 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 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 -0.26 2.90 0.08 0.38 0.28 -1.26 -4.37 120.64 118.38 1pwk n GLU 35 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1pwk n GLU 35 Cb 0.00 -0.97 0.03 0.00 1.43 0.00 0.00 31.44 31.93 1pwk n GLU 35 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1pwk n LYS 36 N -1.79 0.49 0.00 3.44 2.85 -1.26 -3.17 118.16 118.72 1pwk n LYS 36 Ca 0.00 0.08 -0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1pwk n LYS 36 Cb 0.35 -1.75 -0.11 0.00 -0.65 0.00 0.00 35.03 32.87 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 -2.43 0.84 0.03 -5.58 9.92 -1.26 -1.20 116.55 116.87 1pwk n ASP 37 Ca 0.01 0.39 -0.10 0.00 -0.53 0.00 0.00 54.79 54.55 1pwk n ASP 37 Cb 0.51 0.09 0.04 0.00 -0.64 0.00 0.00 41.12 41.11 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 1.35 0.00 0.53 1.08 -1.76 1.12 117.51 119.82 1pwk h ILE 38 Ca -0.23 -1.99 -0.22 0.00 -0.39 0.00 0.00 64.86 62.03 1pwk h ILE 38 Cb 1.80 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 37.49 1pwk h ILE 38 CO 0.06 0.61 -1.11 0.00 -0.69 0.00 0.00 178.15 177.01 1pwk h ALA 39 N 0.94 0.43 0.00 1.87 0.00 -1.64 -1.44 119.26 119.42 1pwk h ALA 39 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 53.86 1pwk h ALA 39 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1pwk h ALA 39 CO 0.12 1.30 -0.61 0.00 0.00 0.00 0.00 179.25 180.06 1pwk h ALA 40 N 1.01 0.73 0.00 0.00 0.00 -0.99 -1.96 119.26 118.05 1pwk h ALA 40 Ca -0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1pwk h ALA 40 Cb 1.80 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1pwk h ALA 40 CO 0.12 0.23 -1.54 0.98 0.00 0.00 0.00 179.25 179.04 1pwk n TYR 41 N -2.95 0.95 0.05 0.00 9.36 0.38 -1.65 117.16 123.30 1pwk n TYR 41 Ca 0.01 0.33 -0.13 0.00 3.32 0.00 0.00 57.90 61.42 1pwk n TYR 41 Cb 0.61 -1.11 -0.14 0.00 -0.63 0.00 0.00 39.34 38.08 1pwk n TYR 41 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1pwk h ILE 42 N 0.00 1.23 0.14 2.97 2.04 -1.34 -0.02 117.51 122.53 1pwk h ILE 42 Ca -0.21 -2.93 -0.29 0.00 1.00 0.00 0.00 64.86 62.42 1pwk h ILE 42 Cb 1.73 2.71 0.02 0.00 -0.74 0.00 0.00 36.82 40.55 1pwk h ILE 42 CO 0.06 0.79 -1.26 0.07 0.00 0.00 0.00 178.15 177.81 1pwk h LYS 43 N 0.04 0.52 -0.03 2.37 2.10 -1.48 -2.13 116.57 117.95 1pwk h LYS 43 Ca -0.19 -0.74 -0.13 0.00 -2.00 0.00 0.00 60.65 57.58 1pwk h LYS 43 Cb 1.95 0.25 -0.02 0.00 -0.90 0.00 0.00 32.23 33.52 1pwk h LYS 43 CO 0.14 1.33 -0.60 -0.22 -2.00 0.00 0.00 179.45 178.10 1pwk h LYS 44 N 0.21 0.09 -0.22 0.07 3.64 -1.40 0.92 116.57 119.88 1pwk h LYS 44 Ca -0.18 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1pwk h LYS 44 Cb 1.94 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1pwk h LYS 44 CO 0.23 0.66 -0.54 1.49 -2.27 0.00 0.00 179.45 179.02 1pwk h GLU 45 N 0.07 0.64 0.00 1.90 4.57 -0.97 -0.33 114.58 120.46 1pwk h GLU 45 Ca -0.01 -0.40 -0.15 0.00 -1.18 0.00 0.00 59.36 57.62 1pwk h GLU 45 Cb 1.08 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 1pwk h GLU 45 CO 0.08 1.02 -1.09 0.74 -1.18 0.00 0.00 179.01 178.58 1pwk h PHE 46 N 0.50 0.00 0.00 0.92 0.04 -1.27 -3.33 116.94 113.80 1pwk h PHE 46 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1pwk h PHE 46 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1pwk h PHE 46 CO 0.05 0.60 -0.70 -0.40 -0.60 0.00 0.00 178.31 177.25 1pwk n ASP 47 N -3.04 0.63 -0.09 2.17 5.68 0.31 -3.10 116.55 119.11 1pwk n ASP 47 Ca -0.05 -0.07 0.13 0.00 -0.50 0.00 0.00 54.79 54.30 1pwk n ASP 47 Cb 0.82 0.36 0.50 0.00 -1.14 0.00 0.00 41.12 41.66 1pwk n ASP 47 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1pwk n LYS 48 N -1.91 0.45 -2.65 0.11 3.00 -0.14 -4.12 118.16 112.90 1pwk n LYS 48 Ca 0.03 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.31 58.13 1pwk n LYS 48 Cb 0.41 -1.50 0.10 0.00 0.00 0.00 0.00 35.03 34.04 1pwk n LYS 48 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1pwk n LYS 49 N -1.12 0.02 0.00 1.64 2.85 -1.25 -5.01 118.16 115.29 1pwk n LYS 49 Ca 0.11 -0.53 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 1pwk n LYS 49 Cb 0.31 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1pwk n LYS 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pwk n TYR 50 N 1.03 0.00 0.00 5.58 4.01 -1.18 -4.94 117.16 121.66 1pwk n TYR 50 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1pwk n TYR 50 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 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 -0.44 0.00 -4.48 7.72 5.03 -1.18 -5.05 115.26 116.85 1pwk n ASN 51 Ca 0.00 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.11 1pwk n ASN 51 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 38.87 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1pwk n PRO 52 N 0.00 -0.11 0.00 3.52 -0.02 -1.26 -4.42 135.00 132.71 1pwk n PRO 52 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1pwk n PRO 52 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1pwk n PRO 52 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1pwk n THR 53 N -3.35 0.11 -1.38 3.45 -1.04 -1.26 -4.93 114.28 105.88 1pwk n THR 53 Ca 0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1pwk n THR 53 Cb 0.52 1.12 0.00 0.00 -1.82 0.00 0.00 70.33 70.16 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 -0.05 -2.71 -2.87 -1.42 7.02 -1.26 -4.45 117.44 111.70 1pwk n TRP 54 Ca 0.00 1.47 -0.14 0.00 -1.02 0.00 0.00 57.50 57.81 1pwk n TRP 54 Cb 0.08 -2.27 0.00 0.00 -2.42 0.00 0.00 31.31 26.71 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 -2.31 0.99 -1.99 -5.99 8.25 0.76 -4.82 115.22 110.11 1pwk n HIS 55 Ca 0.00 -3.25 -0.43 0.00 -0.26 0.00 0.00 57.72 53.78 1pwk n HIS 55 Cb 0.29 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 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 5.16 3.02 0.02 0.00 1.01 -0.30 -4.24 121.20 125.87 1pwk s ILE 57 Ca 0.77 -1.78 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1pwk s ILE 57 Cb -0.30 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1pwk s ILE 57 CO 0.31 -0.21 -0.14 -0.69 0.00 0.00 0.00 174.94 174.21 1pwk s VAL 58 N -2.43 1.09 0.00 2.92 1.01 -1.26 -0.31 120.40 121.42 1pwk s VAL 58 Ca 0.36 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1pwk s VAL 58 Cb -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1pwk s VAL 58 CO 0.22 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1pwk n GLY 59 N 2.18 3.55 2.66 4.51 0.00 0.27 -4.94 105.19 113.42 1pwk n GLY 59 Ca -0.17 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 1pwk n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwk s ARG 60 N 1.60 0.87 -1.67 1.61 0.52 -1.26 0.08 118.95 120.70 1pwk s ARG 60 Ca 0.00 -1.32 -0.17 0.00 -0.52 0.00 0.00 55.73 53.72 1pwk s ARG 60 Cb 0.00 -0.71 0.14 0.00 0.52 0.00 0.00 34.95 34.90 1pwk s ARG 60 CO 0.00 -1.30 0.78 -1.13 0.02 0.00 0.00 175.30 173.67 1pwk n SER 61 N 3.38 -3.25 -0.78 0.23 3.41 -1.25 -4.82 113.62 110.54 1pwk n SER 61 Ca 0.20 -0.99 0.04 0.00 -0.26 0.00 0.00 58.87 57.86 1pwk n SER 61 Cb 0.50 -2.88 0.15 0.00 -0.26 0.00 0.00 64.21 61.73 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 -1.47 1.12 3.00 5.00 0.00 -1.26 -4.92 105.19 106.66 1pwk n GLY 62 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.37 -6.45 -1.74 1.61 4.05 -1.26 -4.97 115.26 106.87 1pwk n ASN 63 Ca 0.11 -0.45 0.01 0.00 0.45 0.00 0.00 54.58 54.70 1pwk n ASN 63 Cb 0.42 -4.73 0.06 0.00 1.23 0.00 0.00 39.78 36.76 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 -2.61 0.52 0.03 1.20 1.16 -1.26 -4.78 117.46 111.72 1pwk n PHE 64 Ca -0.04 -1.19 0.00 0.00 -1.87 0.00 0.00 57.45 54.35 1pwk n PHE 64 Cb 0.57 -0.20 -0.00 0.00 -1.61 0.00 0.00 39.48 38.24 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 -0.12 0.90 0.97 4.97 0.00 -1.26 -4.61 105.19 106.04 1pwk n GLY 65 Ca 0.11 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1pwk n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pwk n SER 66 N -1.03 1.28 -0.74 1.61 2.88 -1.26 -4.74 113.62 111.61 1pwk n SER 66 Ca 0.00 -2.80 -0.03 0.00 -1.33 0.00 0.00 58.87 54.72 1pwk n SER 66 Cb 0.01 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1pwk n SER 66 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1pwk n TYR 67 N -0.29 0.00 0.03 0.66 4.01 -1.26 -4.90 117.16 115.40 1pwk n TYR 67 Ca 0.11 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1pwk n TYR 67 Cb 0.90 0.32 0.01 0.00 -0.31 0.00 0.00 39.34 40.25 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1pwk n VAL 68 N 0.02 0.18 0.05 -0.72 0.31 -1.26 -4.77 118.33 112.13 1pwk n VAL 68 Ca -0.11 -0.59 -0.15 0.00 -0.01 0.00 0.00 64.34 63.49 1pwk n VAL 68 Cb 0.62 0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 34.39 1pwk n VAL 68 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1pwk h THR 69 N 0.18 0.05 -0.63 2.52 2.02 -1.91 -3.45 112.91 111.69 1pwk h THR 69 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1pwk h THR 69 Cb 0.12 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.54 1pwk h THR 69 CO 0.00 0.00 -0.11 1.57 0.37 0.00 0.00 175.52 177.35 1pwk n HIS 70 N -5.46 -0.18 -1.70 3.16 -0.00 -1.26 -0.10 115.22 109.68 1pwk n HIS 70 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1pwk n HIS 70 Cb 0.39 -1.92 0.00 0.00 -0.12 0.00 0.00 29.99 28.34 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1pwk n GLU 71 N -0.51 0.00 0.04 1.57 1.02 -1.26 -5.01 120.64 116.49 1pwk n GLU 71 Ca -0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1pwk n GLU 71 Cb 0.36 -1.74 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 1pwk n GLU 71 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pwk h THR 72 N 0.00 1.10 0.00 2.62 2.02 -0.73 -3.47 112.91 114.45 1pwk h THR 72 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1pwk h THR 72 Cb 0.69 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1pwk h THR 72 CO 0.00 0.11 0.00 0.29 0.37 0.00 0.00 175.52 176.29 1pwk n LYS 73 N -5.02 0.00 -3.75 6.66 4.76 -1.26 -4.72 118.16 114.82 1pwk n LYS 73 Ca -0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.24 1pwk n LYS 73 Cb 0.13 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.21 1pwk n LYS 73 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1pwk s HIS 74 N -1.70 -0.37 -0.10 2.13 3.76 -1.26 -4.92 115.29 112.84 1pwk s HIS 74 Ca 0.00 0.88 0.00 0.00 -0.15 0.00 0.00 55.06 55.79 1pwk s HIS 74 Cb 0.00 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.81 1pwk s HIS 74 CO 0.00 -0.19 0.00 1.97 -0.85 0.00 0.00 174.74 175.67 1pwk n PHE 75 N 3.16 0.00 -3.72 1.40 1.16 -1.26 -3.12 117.46 115.08 1pwk n PHE 75 Ca -0.15 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.32 1pwk n PHE 75 Cb 0.57 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.38 1pwk n PHE 75 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1pwk s ILE 76 N -2.55 0.08 -0.15 1.97 2.07 0.32 0.13 121.20 123.07 1pwk s ILE 76 Ca 0.00 -0.67 -0.04 0.00 -1.41 0.00 0.00 60.65 58.53 1pwk s ILE 76 Cb 0.00 -1.03 0.07 0.00 0.13 0.00 0.00 42.46 41.63 1pwk s ILE 76 CO 0.00 -0.37 0.26 -0.47 -1.91 0.00 0.00 174.94 172.45 1pwk s TYR 77 N -2.94 -0.41 0.09 3.50 5.04 0.16 -1.13 117.35 121.66 1pwk s TYR 77 Ca -0.02 0.81 -0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1pwk s TYR 77 Cb 0.00 -0.10 -0.04 0.00 0.35 0.00 0.00 41.96 42.17 1pwk s TYR 77 CO -0.06 -0.42 -0.02 -0.59 -1.34 0.00 0.00 175.55 173.12 1pwk s PHE 78 N 2.41 0.74 0.06 4.97 -0.71 -0.65 -0.72 117.98 124.08 1pwk s PHE 78 Ca 0.03 -1.06 0.06 0.00 -1.04 0.00 0.00 56.93 54.92 1pwk s PHE 78 Cb -0.13 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1pwk s PHE 78 CO -0.10 -0.34 -0.18 1.52 -1.34 0.00 0.00 175.22 174.79 1pwk s TYR 79 N -3.85 1.53 -0.90 3.49 -0.85 0.15 0.42 117.35 117.33 1pwk s TYR 79 Ca 0.13 -0.39 -0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1pwk s TYR 79 Cb 0.07 -0.88 0.27 0.00 0.38 0.00 0.00 41.96 41.80 1pwk s TYR 79 CO -0.05 0.10 1.09 1.28 -1.52 0.00 0.00 175.55 176.45 1pwk n LEU 80 N 1.57 5.09 0.00 -3.49 4.77 0.22 -1.28 117.00 123.87 1pwk n LEU 80 Ca -0.19 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.52 1pwk n LEU 80 Cb 0.54 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1pwk n LEU 80 CO 0.22 1.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.68 1pwk n GLY 81 N 1.38 0.94 0.00 -0.72 0.00 0.41 -2.27 105.19 104.93 1pwk n GLY 81 Ca 0.27 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 0.48 -3.25 1.61 6.02 -1.26 -5.00 117.38 115.98 1pwk n GLN 82 Ca 0.00 -0.03 -0.28 0.00 -0.01 0.00 0.00 57.00 56.67 1pwk n GLN 82 Cb 0.00 -1.07 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pwk s VAL 83 N -2.23 5.00 -0.14 5.09 1.01 -0.96 -3.94 120.40 124.23 1pwk s VAL 83 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1pwk s VAL 83 Cb 0.03 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1pwk s VAL 83 CO 0.17 -0.39 0.03 0.00 0.00 0.00 0.00 175.10 174.91 1pwk s ALA 84 N -2.17 0.81 0.04 5.51 0.00 0.11 0.69 121.76 126.75 1pwk s ALA 84 Ca 0.44 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1pwk s ALA 84 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1pwk s ALA 84 CO 0.31 -0.88 0.11 0.42 0.00 0.00 0.00 175.76 175.72 1pwk s ILE 85 N 1.94 4.80 -0.28 0.00 1.01 0.17 0.95 121.20 129.78 1pwk s ILE 85 Ca 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1pwk s ILE 85 Cb -0.15 -3.27 0.10 0.00 0.01 0.00 0.00 42.46 39.15 1pwk s ILE 85 CO -0.07 0.22 0.14 -1.48 0.00 0.00 0.00 174.94 173.74 1pwk s LEU 86 N -2.16 0.48 0.03 2.97 2.34 0.58 -1.64 118.68 121.29 1pwk s LEU 86 Ca 0.28 -1.21 -0.14 0.00 0.06 0.00 0.00 54.13 53.12 1pwk s LEU 86 Cb -0.12 -0.30 -0.06 0.00 -0.56 0.00 0.00 46.19 45.15 1pwk s LEU 86 CO 0.20 -0.43 0.43 -0.22 -1.06 0.00 0.00 176.35 175.27 1pwk s LEU 87 N 2.12 4.45 -0.25 1.48 0.20 -0.28 -1.15 118.68 125.24 1pwk s LEU 87 Ca 0.09 0.97 -0.28 0.00 0.69 0.00 0.00 54.13 55.59 1pwk s LEU 87 Cb -0.16 -2.74 0.16 0.00 -0.43 0.00 0.00 46.19 43.02 1pwk s LEU 87 CO -0.35 0.27 1.22 0.72 -0.29 0.00 0.00 176.35 177.93 1pwk s PHE 88 N -1.17 -0.21 -0.47 5.38 -0.12 -1.26 -0.52 117.98 119.61 1pwk s PHE 88 Ca 0.27 0.42 -0.18 0.00 -0.05 0.00 0.00 56.93 57.39 1pwk s PHE 88 Cb -0.16 0.46 0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1pwk s PHE 88 CO 0.15 -0.15 0.51 0.21 -0.05 0.00 0.00 175.22 175.89 1pwk s LYS 89 N -0.61 3.09 -0.13 1.99 2.47 -1.18 -0.17 119.74 125.19 1pwk s LYS 89 Ca 0.05 -0.92 0.01 0.00 -1.56 0.00 0.00 55.97 53.54 1pwk s LYS 89 Cb -0.02 -4.05 0.18 0.00 -1.46 0.00 0.00 37.83 32.48 1pwk s LYS 89 CO -0.07 -1.05 1.32 0.43 0.16 0.00 0.00 175.35 176.15 1pwk n SER 90 N 5.77 3.43 0.00 1.43 7.64 -1.26 -4.49 113.62 126.15 1pwk n SER 90 Ca -0.08 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1pwk n SER 90 Cb 0.46 -0.64 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