#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 -5.05 -2.86 3.17 2.88 -1.26 -4.03 113.62 106.47 1pwk n SER 2 Ca 0.00 -0.02 -0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1pwk n SER 2 Cb 0.00 -4.14 -0.00 0.00 -0.75 0.00 0.00 64.21 59.32 1pwk n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pwk n ASP 3 N -1.29 -7.44 -1.79 -3.46 8.00 -1.26 -4.91 116.55 104.41 1pwk n ASP 3 Ca -0.20 1.12 -0.16 0.00 0.71 0.00 0.00 54.79 56.26 1pwk n ASP 3 Cb 0.65 -4.18 0.19 0.00 -0.02 0.00 0.00 41.12 37.76 1pwk n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pwk n ARG 4 N 0.93 2.08 -0.10 -1.24 5.12 -1.26 -4.67 116.66 117.53 1pwk n ARG 4 Ca -0.01 -3.10 0.26 0.00 -1.93 0.00 0.00 57.85 53.07 1pwk n ARG 4 Cb 0.17 -2.03 0.71 0.00 -1.16 0.00 0.00 32.46 30.15 1pwk n ARG 4 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1pwk h LYS 5 N 1.02 0.00 -5.25 5.56 1.63 -1.91 -3.37 116.57 114.26 1pwk h LYS 5 Ca 0.46 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.23 1pwk h LYS 5 Cb 2.33 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.96 1pwk h LYS 5 CO 0.81 0.00 0.08 0.00 -3.45 0.00 0.00 179.45 176.90 1pwk s ALA 6 N -4.79 0.63 0.15 5.00 0.00 -1.26 -3.91 121.76 117.58 1pwk s ALA 6 Ca -0.05 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 1pwk s ALA 6 Cb 0.19 -4.64 0.05 0.00 0.00 0.00 0.00 23.12 18.72 1pwk s ALA 6 CO 0.66 -6.37 0.53 0.08 0.00 0.00 0.00 175.76 170.66 1pwk s VAL 7 N 15.68 0.03 0.18 0.00 1.01 0.00 -4.82 120.40 132.48 1pwk s VAL 7 Ca 0.86 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 1pwk s VAL 7 Cb -0.09 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 1pwk s VAL 7 CO 0.13 -0.12 0.83 -0.63 0.00 0.00 0.00 175.10 175.31 1pwk s ILE 8 N -3.78 4.29 -0.08 2.22 1.01 -1.26 -0.64 121.20 122.95 1pwk s ILE 8 Ca 0.02 1.84 -0.07 0.00 0.00 0.00 0.00 60.65 62.44 1pwk s ILE 8 Cb -0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1pwk s ILE 8 CO -0.12 0.51 -0.13 1.17 0.00 0.00 0.00 174.94 176.36 1pwk n LYS 9 N 1.63 0.26 -3.96 2.79 3.00 -1.08 -4.88 118.16 115.92 1pwk n LYS 9 Ca -0.04 0.27 -0.09 0.00 -0.00 0.00 0.00 58.31 58.45 1pwk n LYS 9 Cb 0.48 -1.14 -0.09 0.00 0.00 0.00 0.00 35.03 34.28 1pwk n LYS 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pwk s ASN 10 N -4.83 0.25 -0.32 3.14 4.22 -0.78 -5.05 114.94 111.57 1pwk s ASN 10 Ca -0.11 -0.67 -0.04 0.00 -2.14 0.00 0.00 52.86 49.89 1pwk s ASN 10 Cb 0.02 0.24 0.19 0.00 1.28 0.00 0.00 41.25 42.97 1pwk s ASN 10 CO 0.17 -0.56 0.89 0.00 -2.04 0.00 0.00 177.10 175.56 1pwk s ALA 11 N -3.13 -3.59 -1.34 3.54 0.00 -1.26 -1.34 121.76 114.64 1pwk s ALA 11 Ca -0.01 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 1pwk s ALA 11 Cb 0.02 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.39 1pwk s ALA 11 CO -0.07 -2.20 2.53 -0.25 0.00 0.00 0.00 175.76 175.77 1pwk n ASP 12 N 4.61 8.12 -3.32 0.00 8.00 -0.87 -4.86 116.55 128.23 1pwk n ASP 12 Ca 0.08 -3.02 -0.20 0.00 0.71 0.00 0.00 54.79 52.35 1pwk n ASP 12 Cb 0.59 -1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 1pwk n ASP 12 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1pwk n MET 13 N 2.07 0.43 0.12 -1.24 0.00 -1.26 -4.23 117.12 113.00 1pwk n MET 13 Ca 0.65 -3.37 0.19 0.00 0.00 0.00 0.00 57.70 55.18 1pwk n MET 13 Cb 0.26 2.66 0.70 0.00 0.00 0.00 0.00 33.22 36.84 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 2.01 0.00 0.00 3.17 0.02 -1.98 -3.45 113.55 113.32 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 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1pwk h SER 14 CO 0.36 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.43 1pwk n GLU 15 N -3.43 0.00 0.23 3.45 1.02 -1.26 -4.84 120.64 115.80 1pwk n GLU 15 Ca 0.07 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.36 1pwk n GLU 15 Cb 0.69 0.00 0.78 0.00 -0.02 0.00 0.00 31.44 32.89 1pwk n GLU 15 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1pwk h ASP 16 N 0.00 0.00 0.14 1.62 2.03 -1.99 -1.54 116.42 116.68 1pwk h ASP 16 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 1pwk h ASP 16 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1pwk h ASP 16 CO 0.00 0.00 -1.87 0.24 -1.03 0.00 0.00 179.24 176.58 1pwk h MET 17 N 0.00 0.29 0.00 4.15 2.86 -1.95 -1.90 114.93 118.37 1pwk h MET 17 Ca 0.00 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1pwk h MET 17 Cb 0.12 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1pwk h MET 17 CO 0.00 1.24 0.00 -0.56 1.06 0.00 0.00 176.91 178.65 1pwk h GLN 18 N 0.01 0.00 0.00 1.72 3.07 -1.79 1.60 115.11 119.72 1pwk h GLN 18 Ca -0.39 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.31 1pwk h GLN 18 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.56 1pwk h GLN 18 CO 0.10 0.00 -0.24 1.96 0.09 0.00 0.00 178.83 180.74 1pwk h GLN 19 N 0.00 0.00 0.00 0.06 1.08 -1.35 -2.36 115.11 112.54 1pwk h GLN 19 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pwk h GLN 19 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1pwk h GLN 19 CO 0.00 0.71 0.00 -0.44 -0.95 0.00 0.00 178.83 178.15 1pwk h ASP 20 N -1.00 0.00 -0.00 1.46 3.32 -0.85 -1.87 116.42 117.48 1pwk h ASP 20 Ca -0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pwk h ASP 20 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1pwk h ASP 20 CO -0.03 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.47 1pwk h ALA 21 N 2.05 0.00 -0.00 3.45 0.00 0.22 0.32 119.26 125.30 1pwk h ALA 21 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1pwk h ALA 21 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pwk h ALA 21 CO 0.00 -0.09 -0.03 0.28 0.00 0.00 0.00 179.25 179.40 1pwk h VAL 22 N -0.77 1.03 0.08 0.00 2.07 -1.12 0.75 116.25 118.28 1pwk h VAL 22 Ca -0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1pwk h VAL 22 Cb 0.81 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1pwk h VAL 22 CO 0.00 0.04 -0.04 0.44 0.02 0.00 0.00 177.57 178.03 1pwk h ASP 23 N 0.01 -0.09 0.00 0.57 3.32 -1.32 0.41 116.42 119.31 1pwk h ASP 23 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1pwk h ASP 23 Cb 0.07 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1pwk h ASP 23 CO 0.00 0.48 0.25 0.00 -1.72 0.00 0.00 179.24 178.25 1pwk h ALA 25 N 1.48 0.18 0.05 0.00 0.00 0.59 -0.73 119.26 120.83 1pwk h ALA 25 Ca 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 54.91 53.83 1pwk h ALA 25 Cb 0.49 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pwk h ALA 25 CO 0.00 1.04 -0.02 1.15 0.00 0.00 0.00 179.25 181.42 1pwk h THR 26 N 0.09 1.27 -0.15 0.00 2.02 0.27 -1.74 112.91 114.68 1pwk h THR 26 Ca -0.27 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 1pwk h THR 26 Cb 2.06 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 1pwk h THR 26 CO 0.18 0.27 -0.26 1.56 0.37 0.00 0.00 175.52 177.65 1pwk h GLN 27 N -0.55 0.28 -0.82 6.66 7.50 -0.28 -1.20 115.11 126.69 1pwk h GLN 27 Ca -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 1pwk h GLN 27 Cb 0.50 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 1pwk h GLN 27 CO 0.01 0.52 0.46 0.00 -1.50 0.00 0.00 178.83 178.32 1pwk h ALA 28 N 1.49 1.26 0.00 3.87 0.00 -1.03 1.08 119.26 125.93 1pwk h ALA 28 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1pwk h ALA 28 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pwk h ALA 28 CO 0.04 0.61 -0.44 0.52 0.00 0.00 0.00 179.25 179.98 1pwk h MET 29 N 1.15 0.00 0.22 0.00 2.86 -0.72 0.99 114.93 119.43 1pwk h MET 29 Ca 0.29 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.59 1pwk h MET 29 Cb 0.01 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.69 1pwk h MET 29 CO -0.05 0.44 -1.64 0.93 1.06 0.00 0.00 176.91 177.66 1pwk h GLU 30 N 0.00 0.46 0.00 1.72 4.39 -0.26 -3.36 114.58 117.54 1pwk h GLU 30 Ca -0.00 -0.78 -0.26 0.00 0.34 0.00 0.00 59.36 58.66 1pwk h GLU 30 Cb 1.18 0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 30.08 1pwk h GLU 30 CO 0.06 1.37 -1.40 -0.22 -1.16 0.00 0.00 179.01 177.66 1pwk h LYS 31 N 0.11 0.01 -4.49 2.33 1.63 0.11 -3.45 116.57 112.82 1pwk h LYS 31 Ca -0.31 -0.01 -0.46 0.00 -0.85 0.00 0.00 60.65 59.02 1pwk h LYS 31 Cb 2.12 0.01 -0.32 0.00 -0.60 0.00 0.00 32.23 33.43 1pwk h LYS 31 CO 0.22 0.73 -0.80 0.71 -3.45 0.00 0.00 179.45 176.86 1pwk s TYR 32 N -2.65 1.13 -0.91 1.91 2.02 0.34 -5.01 117.35 114.18 1pwk s TYR 32 Ca -0.02 -0.35 0.13 0.00 -0.37 0.00 0.00 57.07 56.46 1pwk s TYR 32 Cb 0.09 -0.84 0.40 0.00 -0.40 0.00 0.00 41.96 41.21 1pwk s TYR 32 CO 0.82 -0.19 1.34 0.09 -1.57 0.00 0.00 175.55 176.04 1pwk n ASN 33 N 3.64 3.31 -1.31 2.29 5.03 -1.26 -3.27 115.26 123.70 1pwk n ASN 33 Ca -0.22 -2.20 0.00 0.00 0.87 0.00 0.00 54.58 53.03 1pwk n ASN 33 Cb 0.52 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 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 0.49 0.00 0.00 2.41 5.41 -1.26 -5.06 119.36 121.35 1pwk n ILE 34 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1pwk n ILE 34 Cb 0.56 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.38 1.59 0.06 0.38 0.28 -1.26 -4.38 120.64 116.92 1pwk n GLU 35 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1pwk n GLU 35 Cb 0.00 -0.96 -0.01 0.00 1.43 0.00 0.00 31.44 31.90 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 -1.56 0.51 -0.01 3.44 5.02 -1.26 -3.32 118.16 120.98 1pwk n LYS 36 Ca 0.00 0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 1pwk n LYS 36 Cb 0.16 -1.70 -0.12 0.00 -0.02 0.00 0.00 35.03 33.34 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 -2.38 0.85 -0.00 4.39 9.92 -1.26 -1.19 116.55 126.87 1pwk n ASP 37 Ca -0.00 0.40 -0.10 0.00 -0.53 0.00 0.00 54.79 54.56 1pwk n ASP 37 Cb 0.52 0.03 0.05 0.00 -0.64 0.00 0.00 41.12 41.08 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 1.32 0.00 0.53 1.08 -1.77 1.02 117.51 119.69 1pwk h ILE 38 Ca -0.26 -1.77 -0.17 0.00 -0.39 0.00 0.00 64.86 62.28 1pwk h ILE 38 Cb 1.89 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 37.35 1pwk h ILE 38 CO 0.07 0.55 -0.94 0.00 -0.69 0.00 0.00 178.15 177.14 1pwk h ALA 39 N 0.96 0.58 0.00 1.87 0.00 -1.65 -1.74 119.26 119.28 1pwk h ALA 39 Ca 0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1pwk h ALA 39 Cb 1.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1pwk h ALA 39 CO 0.10 0.96 -0.68 0.00 0.00 0.00 0.00 179.25 179.63 1pwk h ALA 40 N 1.29 0.71 0.00 0.00 0.00 -0.93 -0.84 119.26 119.48 1pwk h ALA 40 Ca -0.06 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 1pwk h ALA 40 Cb 1.60 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1pwk h ALA 40 CO 0.08 0.31 -1.46 -0.92 0.00 0.00 0.00 179.25 177.26 1pwk h TYR 41 N 0.00 0.00 0.00 0.00 3.20 0.11 -1.67 116.97 118.61 1pwk h TYR 41 Ca -0.03 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.60 1pwk h TYR 41 Cb 1.20 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 1pwk h TYR 41 CO 0.00 0.85 -1.53 0.82 -1.64 0.00 0.00 178.16 176.66 1pwk h ILE 42 N 0.00 0.74 0.08 1.81 2.04 -1.39 -1.35 117.51 119.44 1pwk h ILE 42 Ca -0.20 -2.44 -0.27 0.00 1.00 0.00 0.00 64.86 62.95 1pwk h ILE 42 Cb 1.82 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 40.17 1pwk h ILE 42 CO 0.08 0.42 -1.35 0.11 0.00 0.00 0.00 178.15 177.41 1pwk h LYS 43 N 0.00 0.16 0.13 2.37 1.57 -1.27 -1.51 116.57 118.02 1pwk h LYS 43 Ca -0.22 -0.28 -0.27 0.00 -1.87 0.00 0.00 60.65 58.01 1pwk h LYS 43 Cb 1.82 0.10 0.01 0.00 0.08 0.00 0.00 32.23 34.24 1pwk h LYS 43 CO 0.07 1.04 -1.24 -0.22 -0.57 0.00 0.00 179.45 178.53 1pwk h LYS 44 N 0.04 0.28 -0.04 3.15 1.63 -1.42 -1.44 116.57 118.78 1pwk h LYS 44 Ca -0.16 -0.47 -0.13 0.00 -0.85 0.00 0.00 60.65 59.03 1pwk h LYS 44 Cb 1.94 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 33.73 1pwk h LYS 44 CO 0.15 1.22 -0.58 1.49 -3.45 0.00 0.00 179.45 178.28 1pwk h GLU 45 N 0.08 0.12 0.01 1.90 4.57 -1.31 -2.12 114.58 117.83 1pwk h GLU 45 Ca -0.13 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1pwk h GLU 45 Cb 1.97 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1pwk h GLU 45 CO 0.20 0.67 -0.08 0.74 -1.18 0.00 0.00 179.01 179.36 1pwk h PHE 46 N 0.09 0.06 -0.07 0.92 -1.00 -1.29 -3.12 116.94 112.53 1pwk h PHE 46 Ca -0.00 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1pwk h PHE 46 Cb 1.06 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1pwk h PHE 46 CO 0.01 1.01 -0.12 0.38 -1.61 0.00 0.00 178.31 177.98 1pwk h ASP 47 N -0.91 0.09 -0.02 2.17 3.04 -1.33 1.10 116.42 120.56 1pwk h ASP 47 Ca -0.01 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1pwk h ASP 47 Cb 1.04 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 1pwk h ASP 47 CO 0.02 0.23 0.00 0.29 -2.04 0.00 0.00 179.24 177.74 1pwk n LYS 48 N -4.34 1.18 -0.76 4.15 4.76 -0.80 -2.94 118.16 119.41 1pwk n LYS 48 Ca -0.02 -0.27 -0.01 0.00 -2.87 0.00 0.00 58.31 55.15 1pwk n LYS 48 Cb 0.22 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 31.99 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pwk n LYS 49 N -0.60 0.00 -0.20 1.97 5.02 -0.23 -4.90 118.16 119.21 1pwk n LYS 49 Ca 0.19 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1pwk n LYS 49 Cb 0.15 0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 1pwk n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pwk n TYR 50 N 0.07 0.00 -0.29 2.13 4.01 0.36 -4.96 117.16 118.48 1pwk n TYR 50 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1pwk n TYR 50 Cb 0.68 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 0.00 -2.51 -4.73 7.72 5.03 -1.15 -4.87 115.26 114.75 1pwk n ASN 51 Ca 0.00 0.23 -0.41 0.00 0.87 0.00 0.00 54.58 55.26 1pwk n ASN 51 Cb 0.43 -0.06 -0.04 0.00 -1.02 0.00 0.00 39.78 39.10 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 -5.35 4.53 -0.01 3.52 0.04 -1.25 -4.42 135.00 132.07 1pwk s PRO 52 Ca 0.00 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1pwk s PRO 52 Cb 0.00 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1pwk s PRO 52 CO 0.00 -0.05 0.33 0.99 0.04 0.00 0.00 177.00 178.31 1pwk s THR 53 N 0.30 0.06 0.03 1.26 2.01 -1.26 -4.92 115.64 113.11 1pwk s THR 53 Ca 0.53 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 1pwk s THR 53 Cb -0.29 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1pwk s THR 53 CO 0.32 -0.25 0.32 0.26 -0.69 0.00 0.00 174.62 174.58 1pwk s TRP 54 N -1.39 3.59 -0.71 4.92 0.52 -1.26 -4.17 118.94 120.44 1pwk s TRP 54 Ca -0.13 0.68 -0.00 0.00 0.02 0.00 0.00 56.10 56.66 1pwk s TRP 54 Cb -0.05 -2.07 0.40 0.00 -1.15 0.00 0.00 33.47 30.60 1pwk s TRP 54 CO 0.04 0.59 1.85 0.72 0.02 0.00 0.00 176.95 180.17 1pwk n HIS 55 N 1.13 3.09 -2.01 -1.98 8.25 -1.18 -4.77 115.22 117.76 1pwk n HIS 55 Ca -0.11 -2.62 -0.35 0.00 -0.26 0.00 0.00 57.72 54.38 1pwk n HIS 55 Cb 0.53 -1.06 -0.04 0.00 1.12 0.00 0.00 29.99 30.54 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 9.62 4.10 0.02 0.00 1.01 0.11 -4.50 121.20 131.56 1pwk s ILE 57 Ca 0.70 -1.24 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1pwk s ILE 57 Cb -0.11 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1pwk s ILE 57 CO 0.15 -0.23 -0.18 -0.69 0.00 0.00 0.00 174.94 173.99 1pwk s VAL 58 N -2.19 1.42 0.00 2.92 1.01 -1.26 -0.55 120.40 121.74 1pwk s VAL 58 Ca 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1pwk s VAL 58 Cb -0.08 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1pwk s VAL 58 CO 0.28 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1pwk n GLY 59 N 2.18 3.27 0.62 4.51 0.00 -0.05 -4.95 105.19 110.77 1pwk n GLY 59 Ca -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.57 1.61 1.74 -1.26 0.27 116.66 116.45 1pwk n ARG 60 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1pwk n ARG 60 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 1pwk n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pwk n SER 61 N -1.47 2.73 -1.06 0.55 2.88 -1.26 -4.44 113.62 111.55 1pwk n SER 61 Ca 0.00 -2.96 0.08 0.00 -1.33 0.00 0.00 58.87 54.65 1pwk n SER 61 Cb 0.00 -0.48 0.24 0.00 -0.75 0.00 0.00 64.21 63.22 1pwk n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pwk n GLY 62 N -0.35 1.64 3.13 0.46 0.00 -1.26 -4.95 105.19 103.86 1pwk n GLY 62 Ca 0.21 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1pwk n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pwk n ASN 63 N 0.92 -7.46 -0.95 1.61 5.03 -1.26 -4.96 115.26 108.18 1pwk n ASN 63 Ca 0.18 -0.23 0.03 0.00 0.87 0.00 0.00 54.58 55.43 1pwk n ASN 63 Cb 0.53 -5.14 0.04 0.00 -1.02 0.00 0.00 39.78 34.18 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1pwk n PHE 64 N -2.10 0.00 -0.02 3.10 1.16 -1.26 -4.83 117.46 113.51 1pwk n PHE 64 Ca -0.03 -0.44 -0.09 0.00 -1.87 0.00 0.00 57.45 55.02 1pwk n PHE 64 Cb 0.53 -0.12 -0.14 0.00 -1.61 0.00 0.00 39.48 38.14 1pwk n PHE 64 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 1pwk h GLY 65 N 0.56 0.01 -3.63 4.97 0.00 -1.98 -3.36 103.07 99.65 1pwk h GLY 65 Ca -0.11 -0.04 -0.41 0.00 0.00 0.00 0.00 47.33 46.78 1pwk h GLY 65 CO 0.05 0.03 0.47 -1.14 0.00 0.00 0.00 176.54 175.95 1pwk n SER 66 N -3.07 3.78 0.00 0.19 3.41 -1.26 -4.17 113.62 112.50 1pwk n SER 66 Ca -0.17 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1pwk n SER 66 Cb 1.05 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pwk n TYR 67 N -0.95 0.00 -0.12 7.33 9.36 -1.26 -4.72 117.16 126.80 1pwk n TYR 67 Ca 0.52 0.00 0.27 0.00 3.32 0.00 0.00 57.90 62.01 1pwk n TYR 67 Cb 1.52 0.00 0.69 0.00 -0.63 0.00 0.00 39.34 40.93 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1pwk h VAL 68 N 0.00 0.33 0.43 2.97 2.07 -1.72 -2.10 116.25 118.22 1pwk h VAL 68 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pwk h VAL 68 Cb 0.00 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1pwk h VAL 68 CO 0.00 0.00 -0.21 0.74 0.02 0.00 0.00 177.57 178.12 1pwk h THR 69 N 0.00 0.00 -0.61 2.57 2.02 -1.88 -3.44 112.91 111.57 1pwk h THR 69 Ca 0.39 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.35 1pwk h THR 69 Cb 1.85 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 1pwk h THR 69 CO -0.00 0.00 -0.11 1.57 0.37 0.00 0.00 175.52 177.34 1pwk n HIS 70 N -3.80 -0.16 -2.91 3.16 -0.00 -0.79 -0.62 115.22 110.10 1pwk n HIS 70 Ca -0.07 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.00 1pwk n HIS 70 Cb 0.23 -1.98 0.03 0.00 -0.12 0.00 0.00 29.99 28.15 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 -0.50 -3.39 0.00 1.57 1.02 -1.26 -5.03 120.64 113.05 1pwk n GLU 71 Ca -0.06 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1pwk n GLU 71 Cb 0.38 -4.16 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 1pwk n GLU 71 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1pwk n THR 72 N -3.73 0.00 0.00 2.62 5.66 0.21 -5.09 114.28 113.95 1pwk n THR 72 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1pwk n THR 72 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1pwk n THR 72 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pwk n LYS 73 N 0.00 0.00 -4.08 1.09 3.00 -1.26 -5.07 118.16 111.83 1pwk n LYS 73 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1pwk n LYS 73 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 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 -0.58 3.27 0.28 5.64 3.76 -1.26 -5.01 115.29 121.39 1pwk s HIS 74 Ca 0.00 0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.90 1pwk s HIS 74 Cb 0.00 -1.99 0.06 0.00 1.11 0.00 0.00 32.58 31.76 1pwk s HIS 74 CO 0.00 0.30 0.78 1.97 -0.85 0.00 0.00 174.74 176.94 1pwk n PHE 75 N 3.02 -1.87 -3.76 1.40 1.16 -1.26 -3.40 117.46 112.75 1pwk n PHE 75 Ca -0.18 -1.45 -0.10 0.00 -1.87 0.00 0.00 57.45 53.85 1pwk n PHE 75 Cb 0.53 0.72 -0.06 0.00 -1.61 0.00 0.00 39.48 39.06 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 -2.17 0.11 -0.29 1.97 2.07 0.91 -2.05 121.20 121.74 1pwk s ILE 76 Ca 0.16 -0.89 -0.05 0.00 -1.41 0.00 0.00 60.65 58.46 1pwk s ILE 76 Cb -0.04 -1.22 0.16 0.00 0.13 0.00 0.00 42.46 41.49 1pwk s ILE 76 CO 0.08 -0.49 0.60 -0.47 -1.91 0.00 0.00 174.94 172.75 1pwk s TYR 77 N -3.68 -1.41 0.27 3.50 5.04 -0.45 -1.13 117.35 119.49 1pwk s TYR 77 Ca 0.03 1.91 0.03 0.00 -2.44 0.00 0.00 57.07 56.60 1pwk s TYR 77 Cb 0.03 0.62 -0.06 0.00 0.35 0.00 0.00 41.96 42.90 1pwk s TYR 77 CO -0.10 -0.76 0.05 -0.59 -1.34 0.00 0.00 175.55 172.80 1pwk s PHE 78 N 2.84 1.67 0.14 4.97 -0.12 -0.56 -1.86 117.98 125.05 1pwk s PHE 78 Ca 0.08 -1.02 0.11 0.00 -0.05 0.00 0.00 56.93 56.05 1pwk s PHE 78 Cb -0.14 -1.01 -0.04 0.00 -0.63 0.00 0.00 43.02 41.20 1pwk s PHE 78 CO -0.19 -0.13 -0.25 0.71 -0.05 0.00 0.00 175.22 175.31 1pwk s TYR 79 N -3.50 2.34 -0.44 3.49 2.02 0.19 -1.17 117.35 120.28 1pwk s TYR 79 Ca 0.34 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 1pwk s TYR 79 Cb 0.07 -1.25 0.21 0.00 -0.40 0.00 0.00 41.96 40.60 1pwk s TYR 79 CO 0.12 0.37 0.47 1.28 -1.57 0.00 0.00 175.55 176.22 1pwk n LEU 80 N 0.80 0.46 0.00 -1.29 4.77 0.95 -0.82 117.00 121.87 1pwk n LEU 80 Ca -0.17 -4.68 0.00 0.00 -0.03 0.00 0.00 56.01 51.13 1pwk n LEU 80 Cb 0.53 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1pwk n LEU 80 CO 0.25 1.97 0.00 0.61 -1.33 0.00 0.00 177.39 178.88 1pwk n GLY 81 N 1.94 2.03 0.00 -0.72 0.00 -1.25 -2.17 105.19 105.02 1pwk n GLY 81 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.88 -4.02 1.61 6.02 -1.26 -4.61 117.38 114.24 1pwk n GLN 82 Ca 0.00 -0.48 -0.26 0.00 -0.01 0.00 0.00 57.00 56.26 1pwk n GLN 82 Cb 0.00 -0.97 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 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 -0.01 4.90 -0.17 5.09 1.01 -0.92 -4.24 120.40 126.06 1pwk s VAL 83 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1pwk s VAL 83 Cb 0.00 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1pwk s VAL 83 CO 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 175.10 175.11 1pwk s ALA 84 N -1.78 0.16 -0.03 5.51 0.00 0.14 -0.03 121.76 125.72 1pwk s ALA 84 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 1pwk s ALA 84 Cb -0.10 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1pwk s ALA 84 CO 0.26 -1.10 0.19 0.42 0.00 0.00 0.00 175.76 175.52 1pwk s ILE 85 N 2.21 5.43 -0.08 0.00 1.01 -0.31 -0.87 121.20 128.59 1pwk s ILE 85 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1pwk s ILE 85 Cb -0.15 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.83 1pwk s ILE 85 CO -0.09 0.39 0.01 -1.48 0.00 0.00 0.00 174.94 173.77 1pwk s LEU 86 N -1.72 0.57 0.00 2.97 2.34 0.28 -1.50 118.68 121.62 1pwk s LEU 86 Ca 0.25 -0.12 0.08 0.00 0.06 0.00 0.00 54.13 54.40 1pwk s LEU 86 Cb -0.13 -0.41 -0.02 0.00 -0.56 0.00 0.00 46.19 45.07 1pwk s LEU 86 CO 0.15 -0.21 -0.26 -0.22 -1.06 0.00 0.00 176.35 174.75 1pwk s LEU 87 N 1.99 2.11 -0.30 1.48 0.20 -0.29 0.05 118.68 123.91 1pwk s LEU 87 Ca 0.05 -0.51 -0.15 0.00 0.69 0.00 0.00 54.13 54.21 1pwk s LEU 87 Cb -0.13 -1.33 0.17 0.00 -0.43 0.00 0.00 46.19 44.48 1pwk s LEU 87 CO -0.05 0.30 1.01 0.72 -0.29 0.00 0.00 176.35 178.03 1pwk s PHE 88 N -0.68 -0.64 -0.81 5.38 -0.71 -1.26 -0.07 117.98 119.19 1pwk s PHE 88 Ca 0.11 1.05 -0.25 0.00 -1.04 0.00 0.00 56.93 56.79 1pwk s PHE 88 Cb -0.10 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1pwk s PHE 88 CO 0.00 -0.32 1.64 0.21 -1.34 0.00 0.00 175.22 175.41 1pwk s LYS 89 N 2.48 2.97 -0.23 1.99 2.47 -1.22 -3.09 119.74 125.12 1pwk s LYS 89 Ca -0.02 -0.23 0.01 0.00 -1.56 0.00 0.00 55.97 54.18 1pwk s LYS 89 Cb -0.06 -4.73 0.30 0.00 -1.46 0.00 0.00 37.83 31.87 1pwk s LYS 89 CO -0.17 -2.63 1.54 0.43 0.16 0.00 0.00 175.35 174.68 1pwk n SER 90 N 11.32 3.91 0.00 1.43 7.64 -1.26 -4.53 113.62 132.13 1pwk n SER 90 Ca 0.24 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1pwk n SER 90 Cb 0.50 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64