#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwk s SER 2 N 0.00 5.83 -0.30 6.12 1.04 -1.26 -4.93 113.70 120.20 1pwk s SER 2 Ca 0.00 -1.19 0.08 0.00 0.48 0.00 0.00 55.95 55.33 1pwk s SER 2 Cb 0.00 -2.06 0.49 0.00 0.10 0.00 0.00 66.02 64.56 1pwk s SER 2 CO 0.00 -0.48 1.45 0.47 0.98 0.00 0.00 173.24 175.65 1pwk n ASP 3 N 5.03 2.80 -2.79 7.02 9.92 -1.26 -4.75 116.55 132.53 1pwk n ASP 3 Ca -0.11 -3.81 -0.09 0.00 -0.53 0.00 0.00 54.79 50.25 1pwk n ASP 3 Cb 0.45 -0.62 0.04 0.00 -0.64 0.00 0.00 41.12 40.35 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1pwk n ARG 4 N -1.09 0.76 0.00 -1.24 0.00 -1.26 -5.03 116.66 108.80 1pwk n ARG 4 Ca 0.34 -1.86 0.00 0.00 -0.00 0.00 0.00 57.85 56.33 1pwk n ARG 4 Cb 0.99 -1.45 0.00 0.00 -0.00 0.00 0.00 32.46 32.00 1pwk n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1pwk n LYS 5 N 1.72 0.00 -2.70 2.89 0.00 -1.26 -5.06 118.16 113.75 1pwk n LYS 5 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.42 1pwk n LYS 5 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.64 1pwk n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pwk n ALA 6 N -1.73 -1.56 -3.98 3.14 0.00 -1.26 -4.84 120.51 110.28 1pwk n ALA 6 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1pwk n ALA 6 Cb 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.56 1.49 0.89 0.00 1.01 -0.02 -4.94 120.40 118.28 1pwk s VAL 7 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1pwk s VAL 7 Cb 0.00 -1.53 0.13 0.00 0.00 0.00 0.00 36.38 34.98 1pwk s VAL 7 CO 0.00 0.27 1.13 -0.38 0.00 0.00 0.00 175.10 176.11 1pwk n ILE 8 N 4.76 0.48 0.00 2.22 5.41 -1.26 0.36 119.36 131.33 1pwk n ILE 8 Ca -0.15 -0.06 -0.00 0.00 1.00 0.00 0.00 62.75 63.54 1pwk n ILE 8 Cb 0.48 -1.03 -0.00 0.00 -0.71 0.00 0.00 39.64 38.38 1pwk n ILE 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1pwk n LYS 9 N -3.92 0.00 -3.75 0.38 0.00 0.19 -4.65 118.16 106.42 1pwk n LYS 9 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.31 1pwk n LYS 9 Cb 0.52 -0.08 -0.08 0.00 0.00 0.00 0.00 35.03 35.39 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 -4.90 -0.17 0.09 3.14 3.84 -0.66 -5.03 114.94 111.25 1pwk s ASN 10 Ca -0.00 -0.06 -0.12 0.00 0.21 0.00 0.00 52.86 52.89 1pwk s ASN 10 Cb 0.00 0.35 0.01 0.00 -0.55 0.00 0.00 41.25 41.06 1pwk s ASN 10 CO 0.00 -0.56 0.27 0.00 -2.79 0.00 0.00 177.10 174.03 1pwk s ALA 11 N -2.07 -0.52 -0.44 1.71 0.00 -1.26 -0.80 121.76 118.37 1pwk s ALA 11 Ca -0.08 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1pwk s ALA 11 Cb -0.02 0.51 0.25 0.00 0.00 0.00 0.00 23.12 23.86 1pwk s ALA 11 CO -0.00 -0.53 0.74 -3.47 0.00 0.00 0.00 175.76 172.50 1pwk n ASP 12 N 0.03 -1.46 -2.56 0.00 2.03 -0.96 -5.00 116.55 108.64 1pwk n ASP 12 Ca -0.16 -3.06 -0.03 0.00 0.52 0.00 0.00 54.79 52.06 1pwk n ASP 12 Cb 0.62 0.72 0.02 0.00 -0.72 0.00 0.00 41.12 41.76 1pwk n ASP 12 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1pwk n MET 13 N 1.43 0.56 0.24 -0.67 0.00 -1.26 -3.86 117.12 113.56 1pwk n MET 13 Ca 0.14 -1.20 0.17 0.00 0.00 0.00 0.00 57.70 56.81 1pwk n MET 13 Cb 0.59 1.59 0.78 0.00 0.00 0.00 0.00 33.22 36.18 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 1.42 0.00 0.00 3.17 0.02 -1.99 -3.45 113.55 112.72 1pwk h SER 14 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1pwk h SER 14 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1pwk h SER 14 CO 0.27 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.34 1pwk n GLU 15 N -3.22 0.00 0.25 3.45 1.02 -1.26 -4.86 120.64 116.01 1pwk n GLU 15 Ca 0.02 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.30 1pwk n GLU 15 Cb 0.49 -0.72 0.83 0.00 -0.02 0.00 0.00 31.44 32.01 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 0.55 1.62 5.19 -2.00 0.16 116.42 121.94 1pwk h ASP 16 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1pwk h ASP 16 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1pwk h ASP 16 CO 0.00 0.00 -1.41 0.24 -3.12 0.00 0.00 179.24 174.95 1pwk h MET 17 N 0.00 0.23 0.00 3.56 2.86 -1.96 -2.01 114.93 117.60 1pwk h MET 17 Ca 0.04 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1pwk h MET 17 Cb 0.19 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1pwk h MET 17 CO -0.00 1.11 -0.04 1.96 1.06 0.00 0.00 176.91 180.99 1pwk h GLN 18 N 0.06 0.00 0.00 1.72 4.20 -1.41 1.76 115.11 121.45 1pwk h GLN 18 Ca -0.19 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1pwk h GLN 18 Cb 1.98 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.76 1pwk h GLN 18 CO 0.17 0.04 -0.13 1.96 -0.67 0.00 0.00 178.83 180.20 1pwk h GLN 19 N 0.00 0.00 0.00 1.46 4.20 -1.19 -2.41 115.11 117.17 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 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1pwk h GLN 19 CO 0.01 0.62 0.00 -0.44 -0.67 0.00 0.00 178.83 178.34 1pwk h ASP 20 N -1.00 0.00 0.00 1.46 5.19 -0.91 -1.85 116.42 119.32 1pwk h ASP 20 Ca -0.03 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1pwk h ASP 20 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1pwk h ASP 20 CO -0.02 0.00 -0.06 0.00 -3.12 0.00 0.00 179.24 176.04 1pwk h ALA 21 N 2.08 0.00 0.00 3.45 0.00 0.26 0.60 119.26 125.66 1pwk h ALA 21 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1pwk h ALA 21 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pwk h ALA 21 CO 0.00 -0.03 -0.08 0.28 0.00 0.00 0.00 179.25 179.41 1pwk h VAL 22 N -0.79 0.99 0.11 0.00 2.07 -1.11 0.87 116.25 118.38 1pwk h VAL 22 Ca -0.01 -0.29 -0.23 0.00 0.82 0.00 0.00 66.70 66.99 1pwk h VAL 22 Cb 0.91 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1pwk h VAL 22 CO 0.01 0.08 -1.16 0.44 0.02 0.00 0.00 177.57 176.96 1pwk h ASP 23 N 0.00 0.36 0.50 0.57 3.32 -1.35 -1.16 116.42 118.65 1pwk h ASP 23 Ca -0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1pwk h ASP 23 Cb 0.15 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1pwk h ASP 23 CO 0.01 1.51 0.00 0.00 -1.72 0.00 0.00 179.24 179.04 1pwk h ALA 25 N 2.13 0.35 -0.19 0.00 0.00 0.78 -1.22 119.26 121.10 1pwk h ALA 25 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 54.91 53.52 1pwk h ALA 25 Cb 0.25 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pwk h ALA 25 CO 0.00 1.22 -0.38 1.15 0.00 0.00 0.00 179.25 181.23 1pwk h THR 26 N 0.07 1.33 -0.16 0.00 2.02 -0.22 0.58 112.91 116.54 1pwk h THR 26 Ca -0.34 -1.62 -0.18 0.00 0.77 0.00 0.00 66.41 65.04 1pwk h THR 26 Cb 2.05 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1pwk h THR 26 CO 0.13 0.50 -0.64 1.56 0.37 0.00 0.00 175.52 177.44 1pwk h GLN 27 N 0.26 0.60 0.00 6.66 7.50 -0.52 -1.39 115.11 128.22 1pwk h GLN 27 Ca 0.01 -0.43 -0.03 0.00 0.50 0.00 0.00 58.65 58.70 1pwk h GLN 27 Cb 0.98 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.58 1pwk h GLN 27 CO 0.08 1.04 -0.14 0.00 -1.50 0.00 0.00 178.83 178.32 1pwk h ALA 28 N 0.85 1.07 0.02 3.87 0.00 -1.17 1.18 119.26 125.09 1pwk h ALA 28 Ca -0.01 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1pwk h ALA 28 Cb 1.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1pwk h ALA 28 CO 0.12 0.17 -1.18 1.98 0.00 0.00 0.00 179.25 180.34 1pwk h MET 29 N 0.00 0.05 0.03 0.00 1.85 -0.44 0.74 114.93 117.15 1pwk h MET 29 Ca -0.00 -0.09 -0.30 0.00 -0.61 0.00 0.00 59.70 58.70 1pwk h MET 29 Cb 0.56 0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 1pwk h MET 29 CO 0.02 0.95 -1.75 1.49 -0.40 0.00 0.00 176.91 177.22 1pwk h GLU 30 N 0.01 0.06 0.00 0.39 4.81 -0.81 -3.37 114.58 115.67 1pwk h GLU 30 Ca -0.09 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 1pwk h GLU 30 Cb 1.85 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.24 1pwk h GLU 30 CO 0.13 0.65 -1.50 1.63 -0.73 0.00 0.00 179.01 179.19 1pwk n LYS 31 N -3.14 0.63 0.00 1.92 5.02 0.40 -5.00 118.16 117.99 1pwk n LYS 31 Ca -0.19 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pwk n LYS 31 Cb 1.05 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1pwk n LYS 31 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pwk n TYR 32 N -2.85 0.00 0.00 2.13 4.02 0.26 -5.00 117.16 115.71 1pwk n TYR 32 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1pwk n TYR 32 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 1pwk n TYR 32 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pwk n ASN 33 N 0.00 0.00 -0.33 7.72 5.03 -1.14 -4.58 115.26 121.96 1pwk n ASN 33 Ca 0.00 0.00 0.36 0.00 0.87 0.00 0.00 54.58 55.81 1pwk n ASN 33 Cb 0.00 0.00 0.75 0.00 -1.02 0.00 0.00 39.78 39.51 1pwk n ASN 33 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1pwk h ILE 34 N 0.00 0.39 0.00 2.41 2.04 -1.96 -3.45 117.51 116.95 1pwk h ILE 34 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1pwk h ILE 34 Cb 0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1pwk h ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 1pwk n GLU 35 N -4.16 0.00 0.04 2.37 1.02 -1.26 -4.63 120.64 114.02 1pwk n GLU 35 Ca 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.47 1pwk n GLU 35 Cb 1.27 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.61 1pwk n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pwk n LYS 36 N 0.00 0.63 0.04 3.49 5.02 -1.26 -3.44 118.16 122.64 1pwk n LYS 36 Ca 0.00 0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.38 1pwk n LYS 36 Cb 0.00 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.22 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 -2.63 0.80 -0.05 4.39 9.92 -1.26 -1.65 116.55 126.07 1pwk n ASP 37 Ca -0.06 0.34 -0.08 0.00 -0.53 0.00 0.00 54.79 54.47 1pwk n ASP 37 Cb 0.67 0.33 0.09 0.00 -0.64 0.00 0.00 41.12 41.56 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 1.28 0.02 0.53 1.08 -1.91 1.77 117.51 120.29 1pwk h ILE 38 Ca -0.13 -1.46 -0.25 0.00 -0.39 0.00 0.00 64.86 62.63 1pwk h ILE 38 Cb 1.43 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.55 1pwk h ILE 38 CO 0.03 0.47 -1.27 0.00 -0.69 0.00 0.00 178.15 176.69 1pwk h ALA 39 N 1.06 0.43 0.00 1.87 0.00 -1.64 -2.24 119.26 118.75 1pwk h ALA 39 Ca 0.06 -1.08 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 1pwk h ALA 39 Cb 0.84 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1pwk h ALA 39 CO 0.07 1.31 -0.45 0.00 0.00 0.00 0.00 179.25 180.17 1pwk h ALA 40 N 0.90 0.78 0.03 0.00 0.00 -1.08 -1.71 119.26 118.18 1pwk h ALA 40 Ca -0.12 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 1pwk h ALA 40 Cb 1.88 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1pwk h ALA 40 CO 0.13 0.03 -1.68 -0.92 0.00 0.00 0.00 179.25 176.81 1pwk h TYR 41 N 0.00 0.11 0.06 0.00 3.20 0.26 -1.74 116.97 118.86 1pwk h TYR 41 Ca -0.00 -0.08 -0.28 0.00 3.14 0.00 0.00 58.73 61.51 1pwk h TYR 41 Cb 1.02 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1pwk h TYR 41 CO 0.00 1.15 -1.44 0.82 -1.64 0.00 0.00 178.16 177.05 1pwk h ILE 42 N 0.02 1.22 0.07 1.81 5.03 -1.49 -0.30 117.51 123.86 1pwk h ILE 42 Ca -0.28 -2.93 -0.25 0.00 -0.12 0.00 0.00 64.86 61.28 1pwk h ILE 42 Cb 2.00 2.69 0.01 0.00 -3.03 0.00 0.00 36.82 38.49 1pwk h ILE 42 CO 0.09 0.78 -1.11 0.07 -0.68 0.00 0.00 178.15 177.30 1pwk h LYS 43 N 0.03 0.35 0.00 2.37 2.10 -1.45 -2.56 116.57 117.42 1pwk h LYS 43 Ca -0.19 -0.48 -0.15 0.00 -2.00 0.00 0.00 60.65 57.83 1pwk h LYS 43 Cb 1.95 0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 33.42 1pwk h LYS 43 CO 0.13 1.18 -0.71 -0.22 -2.00 0.00 0.00 179.45 177.83 1pwk h LYS 44 N 0.15 0.00 -0.24 0.07 3.64 -1.40 0.13 116.57 118.92 1pwk h LYS 44 Ca -0.11 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1pwk h LYS 44 Cb 1.79 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1pwk h LYS 44 CO 0.19 0.71 0.05 1.49 -2.27 0.00 0.00 179.45 179.61 1pwk h GLU 45 N 0.00 0.40 0.11 1.90 4.57 -0.98 0.16 114.58 120.75 1pwk h GLU 45 Ca -0.01 -0.10 -0.16 0.00 -1.18 0.00 0.00 59.36 57.91 1pwk h GLU 45 Cb 1.37 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.93 1pwk h GLU 45 CO 0.09 0.52 -0.72 0.74 -1.18 0.00 0.00 179.01 178.46 1pwk h PHE 46 N 0.21 0.43 -0.01 0.92 0.04 -1.47 -3.24 116.94 113.82 1pwk h PHE 46 Ca 0.07 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1pwk h PHE 46 Cb 0.31 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1pwk h PHE 46 CO 0.02 1.27 0.06 0.22 -0.60 0.00 0.00 178.31 179.28 1pwk h ASP 47 N -0.49 0.00 -0.96 2.17 3.58 -0.78 0.14 116.42 120.08 1pwk h ASP 47 Ca -0.13 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.51 1pwk h ASP 47 Cb 1.53 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.50 1pwk h ASP 47 CO 0.11 0.00 0.61 0.50 -2.88 0.00 0.00 179.24 177.58 1pwk h LYS 48 N 0.00 0.59 0.00 0.28 1.63 -0.98 -3.38 116.57 114.71 1pwk h LYS 48 Ca 0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1pwk h LYS 48 Cb 0.12 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1pwk h LYS 48 CO -0.00 0.39 0.00 1.17 -3.45 0.00 0.00 179.45 177.56 1pwk n LYS 49 N -4.62 0.00 -0.07 1.90 3.00 -0.99 -4.98 118.16 112.40 1pwk n LYS 49 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.48 1pwk n LYS 49 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.50 1pwk n LYS 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pwk n TYR 50 N 0.00 0.00 0.00 5.64 4.02 0.45 -4.98 117.16 122.29 1pwk n TYR 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1pwk n TYR 50 Cb 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 39.34 38.53 1pwk n TYR 50 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1pwk n ASN 51 N -2.55 0.00 -4.49 7.72 2.04 -1.25 -5.05 115.26 111.68 1pwk n ASN 51 Ca -0.23 0.00 -0.46 0.00 -0.44 0.00 0.00 54.58 53.45 1pwk n ASN 51 Cb 0.94 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 38.17 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1pwk n PRO 52 N 0.00 0.63 -4.13 -0.53 -0.02 -1.26 -4.65 135.00 125.04 1pwk n PRO 52 Ca 0.00 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1pwk n PRO 52 Cb 0.00 -1.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 1pwk n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pwk s THR 53 N -1.03 0.80 0.09 3.45 2.01 -1.26 -4.72 115.64 114.98 1pwk s THR 53 Ca 0.61 -1.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 1pwk s THR 53 Cb -0.82 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1pwk s THR 53 CO 0.58 -0.44 0.25 0.26 -0.69 0.00 0.00 174.62 174.58 1pwk s TRP 54 N -1.87 3.51 -0.27 4.92 0.52 -1.26 -4.28 118.94 120.21 1pwk s TRP 54 Ca -0.02 0.27 0.09 0.00 0.02 0.00 0.00 56.10 56.46 1pwk s TRP 54 Cb -0.07 -1.78 0.46 0.00 -1.15 0.00 0.00 33.47 30.93 1pwk s TRP 54 CO 0.00 0.55 1.19 0.72 0.02 0.00 0.00 176.95 179.43 1pwk n HIS 55 N 0.07 2.14 -1.62 -1.98 8.25 0.40 -4.84 115.22 117.64 1pwk n HIS 55 Ca -0.05 -2.07 -0.56 0.00 -0.26 0.00 0.00 57.72 54.79 1pwk n HIS 55 Cb 0.52 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 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 1.49 1.81 -0.03 0.00 1.01 0.88 -4.55 121.20 121.80 1pwk s ILE 57 Ca 0.91 -2.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 1pwk s ILE 57 Cb -1.07 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 38.83 1pwk s ILE 57 CO 0.56 -0.21 0.04 -0.69 0.00 0.00 0.00 174.94 174.65 1pwk s VAL 58 N -2.89 -0.07 0.00 2.92 1.01 -1.26 -1.24 120.40 118.86 1pwk s VAL 58 Ca 0.32 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1pwk s VAL 58 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.32 1pwk s VAL 58 CO 0.14 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1pwk n GLY 59 N 4.47 1.49 0.00 4.51 0.00 -0.69 -4.93 105.19 110.03 1pwk n GLY 59 Ca -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.14 0.00 -2.96 1.61 1.74 -1.26 0.90 116.66 116.56 1pwk n ARG 60 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1pwk n ARG 60 Cb 0.00 -0.85 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.37 1.76 0.00 0.55 3.41 -1.26 -3.94 113.62 113.77 1pwk n SER 61 Ca 0.00 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1pwk n SER 61 Cb 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 0.06 -0.80 0.00 5.00 0.00 -1.26 -4.97 105.19 103.21 1pwk n GLY 62 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1pwk n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pwk n ASN 63 N -1.46 0.00 -2.68 1.61 2.04 -1.26 -5.05 115.26 108.46 1pwk n ASN 63 Ca 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 54.58 54.09 1pwk n ASN 63 Cb 0.00 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 37.37 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1pwk n PHE 64 N 0.00 -2.27 -0.53 -2.53 1.16 -1.26 -4.93 117.46 107.10 1pwk n PHE 64 Ca 0.00 -1.82 0.00 0.00 -1.87 0.00 0.00 57.45 53.76 1pwk n PHE 64 Cb 0.00 1.59 0.00 0.00 -1.61 0.00 0.00 39.48 39.46 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 -1.07 0.29 1.07 4.97 0.00 -1.26 -4.70 105.19 104.49 1pwk n GLY 65 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.07 1.37 0.00 1.61 7.64 -1.26 -4.82 113.62 118.09 1pwk n SER 66 Ca 0.00 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1pwk n SER 66 Cb 0.13 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.30 0.00 1.22 1.43 0.18 -1.26 -5.00 117.16 113.43 1pwk n TYR 67 Ca 0.13 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.03 1pwk n TYR 67 Cb 0.92 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 40.16 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1pwk n VAL 68 N 0.00 0.00 0.02 -3.48 0.31 -1.26 -4.49 118.33 109.43 1pwk n VAL 68 Ca 0.00 -0.30 -0.01 0.00 -0.01 0.00 0.00 64.34 64.02 1pwk n VAL 68 Cb 0.00 0.90 -0.00 0.00 -0.91 0.00 0.00 33.84 33.83 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 2.83 0.00 -2.39 2.52 2.02 -1.97 -3.45 112.91 112.48 1pwk h THR 69 Ca 0.00 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1pwk h THR 69 Cb 0.69 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1pwk h THR 69 CO 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.79 1pwk n HIS 70 N -2.45 -0.99 -1.98 3.16 1.44 -1.26 0.19 115.22 113.33 1pwk n HIS 70 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1pwk n HIS 70 Cb 0.02 -1.64 0.00 0.00 0.12 0.00 0.00 29.99 28.50 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1pwk n GLU 71 N -1.63 0.00 -0.06 -1.40 -0.58 -1.26 -4.97 120.64 110.73 1pwk n GLU 71 Ca -0.05 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1pwk n GLU 71 Cb 0.25 -2.10 0.37 0.00 -0.57 0.00 0.00 31.44 29.40 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 1.13 0.00 2.62 2.02 -0.56 -3.46 112.91 114.66 1pwk h THR 72 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1pwk h THR 72 Cb 0.84 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1pwk h THR 72 CO 0.00 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.31 1pwk n LYS 73 N -4.45 0.00 -3.19 6.66 4.76 -1.26 -4.13 118.16 116.55 1pwk n LYS 73 Ca 0.05 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.50 1pwk n LYS 73 Cb 0.06 -0.19 -0.02 0.00 -1.84 0.00 0.00 35.03 33.03 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 -1.21 -1.60 0.28 2.13 3.76 -1.26 -4.89 115.29 112.50 1pwk s HIS 74 Ca 0.00 1.09 0.06 0.00 -0.15 0.00 0.00 55.06 56.07 1pwk s HIS 74 Cb 0.00 0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.95 1pwk s HIS 74 CO 0.00 -1.00 0.23 1.97 -0.85 0.00 0.00 174.74 175.09 1pwk n PHE 75 N 5.41 -0.64 -3.47 1.40 -1.74 -1.25 -2.41 117.46 114.75 1pwk n PHE 75 Ca 0.02 -2.34 -0.12 0.00 -0.56 0.00 0.00 57.45 54.45 1pwk n PHE 75 Cb 0.52 0.24 -0.03 0.00 1.52 0.00 0.00 39.48 41.73 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 -3.12 0.00 -0.25 1.97 1.10 0.84 -2.26 121.20 119.48 1pwk s ILE 76 Ca 0.33 0.00 -0.06 0.00 -0.51 0.00 0.00 60.65 60.40 1pwk s ILE 76 Cb 0.02 -1.00 0.12 0.00 0.15 0.00 0.00 42.46 41.75 1pwk s ILE 76 CO 0.23 0.00 0.51 -0.47 -2.11 0.00 0.00 174.94 173.11 1pwk s TYR 77 N -2.85 -1.10 0.02 3.50 6.14 0.02 -1.27 117.35 121.81 1pwk s TYR 77 Ca -0.01 1.72 0.01 0.00 0.64 0.00 0.00 57.07 59.43 1pwk s TYR 77 Cb -0.01 0.47 -0.01 0.00 0.42 0.00 0.00 41.96 42.82 1pwk s TYR 77 CO -0.06 -0.64 -0.05 -0.59 0.64 0.00 0.00 175.55 174.85 1pwk s PHE 78 N 2.73 0.45 0.34 4.97 -0.12 0.35 -0.63 117.98 126.06 1pwk s PHE 78 Ca 0.02 -0.33 -0.12 0.00 -0.05 0.00 0.00 56.93 56.46 1pwk s PHE 78 Cb -0.13 -0.28 -0.08 0.00 -0.63 0.00 0.00 43.02 41.90 1pwk s PHE 78 CO -0.16 -0.07 0.71 0.71 -0.05 0.00 0.00 175.22 176.36 1pwk s TYR 79 N -0.87 3.42 -0.42 3.49 1.51 0.16 0.30 117.35 124.94 1pwk s TYR 79 Ca -0.07 1.08 0.03 0.00 -1.01 0.00 0.00 57.07 57.10 1pwk s TYR 79 Cb -0.06 -2.44 0.16 0.00 -0.11 0.00 0.00 41.96 39.51 1pwk s TYR 79 CO -0.00 0.05 0.31 -1.17 -1.11 0.00 0.00 175.55 173.63 1pwk s LEU 80 N -3.30 1.62 -0.97 -1.29 2.96 0.11 -0.84 118.68 116.97 1pwk s LEU 80 Ca 0.52 -2.88 -0.10 0.00 -0.22 0.00 0.00 54.13 51.44 1pwk s LEU 80 Cb -0.10 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 1pwk s LEU 80 CO 0.23 -0.20 0.76 0.61 -1.32 0.00 0.00 176.35 176.43 1pwk n GLY 81 N 3.11 -1.14 2.30 7.98 0.00 -1.26 -1.97 105.19 114.22 1pwk n GLY 81 Ca 0.24 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.17 0.00 -1.74 1.61 1.13 -1.26 -5.01 117.38 108.94 1pwk n GLN 82 Ca -0.10 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.66 1pwk n GLN 82 Cb 0.59 -0.07 0.05 0.00 0.11 0.00 0.00 30.24 30.91 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 -1.34 3.84 -0.27 5.09 1.01 -0.83 -4.16 120.40 123.73 1pwk s VAL 83 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 1pwk s VAL 83 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1pwk s VAL 83 CO 0.00 -0.78 0.12 0.00 0.00 0.00 0.00 175.10 174.43 1pwk s ALA 84 N -3.20 0.73 0.15 5.51 0.00 0.26 0.09 121.76 125.29 1pwk s ALA 84 Ca 0.58 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1pwk s ALA 84 Cb -0.12 -1.36 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 1pwk s ALA 84 CO 0.54 -1.56 0.59 0.42 0.00 0.00 0.00 175.76 175.74 1pwk s ILE 85 N 2.03 4.78 -0.16 0.00 1.01 0.15 -1.71 121.20 127.29 1pwk s ILE 85 Ca 0.08 0.99 -0.05 0.00 0.00 0.00 0.00 60.65 61.67 1pwk s ILE 85 Cb -0.16 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.57 1pwk s ILE 85 CO -0.30 0.30 0.08 -1.48 0.00 0.00 0.00 174.94 173.54 1pwk s LEU 86 N -1.79 0.40 -0.28 2.97 2.34 -0.37 -0.50 118.68 121.45 1pwk s LEU 86 Ca 0.37 -0.58 -0.05 0.00 0.06 0.00 0.00 54.13 53.94 1pwk s LEU 86 Cb -0.16 -0.27 0.02 0.00 -0.56 0.00 0.00 46.19 45.22 1pwk s LEU 86 CO 0.19 -0.34 0.03 -0.22 -1.06 0.00 0.00 176.35 174.96 1pwk s LEU 87 N 2.11 3.69 0.03 1.48 0.20 -0.39 -0.09 118.68 125.72 1pwk s LEU 87 Ca 0.02 -0.85 -0.02 0.00 0.69 0.00 0.00 54.13 53.97 1pwk s LEU 87 Cb -0.16 -1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 1pwk s LEU 87 CO -0.08 -0.19 0.02 0.72 -0.29 0.00 0.00 176.35 176.52 1pwk s PHE 88 N 1.42 0.31 -0.19 5.38 -0.71 -1.26 -0.11 117.98 122.82 1pwk s PHE 88 Ca 0.01 -0.68 -0.04 0.00 -1.04 0.00 0.00 56.93 55.19 1pwk s PHE 88 Cb -0.17 -0.23 0.06 0.00 -1.21 0.00 0.00 43.02 41.47 1pwk s PHE 88 CO 0.00 -0.31 0.06 0.21 -1.34 0.00 0.00 175.22 173.84 1pwk s LYS 89 N -2.59 0.45 -0.32 1.99 2.36 -1.01 -0.45 119.74 120.17 1pwk s LYS 89 Ca -0.05 -0.32 0.06 0.00 -2.55 0.00 0.00 55.97 53.10 1pwk s LYS 89 Cb -0.02 -2.01 0.60 0.00 -1.05 0.00 0.00 37.83 35.35 1pwk s LYS 89 CO -0.05 -0.66 1.70 0.43 1.55 0.00 0.00 175.35 178.32 1pwk n SER 90 N 5.12 4.03 0.00 1.43 7.64 -1.26 -4.31 113.62 126.28 1pwk n SER 90 Ca -0.08 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1pwk n SER 90 Cb 0.48 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64