#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 -5.95 -2.79 7.83 7.64 -1.26 -3.87 113.62 115.22 1pwk n SER 2 Ca 0.00 -0.08 -0.00 0.00 1.01 0.00 0.00 58.87 59.79 1pwk n SER 2 Cb 0.00 -4.91 -0.00 0.00 -1.01 0.00 0.00 64.21 58.29 1pwk n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pwk n ASP 3 N -2.09 -7.46 -2.99 6.43 -0.08 -1.26 -5.02 116.55 104.08 1pwk n ASP 3 Ca -0.22 1.29 -0.16 0.00 -1.51 0.00 0.00 54.79 54.19 1pwk n ASP 3 Cb 0.67 -4.78 -0.01 0.00 2.34 0.00 0.00 41.12 39.34 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1pwk n ARG 4 N 0.86 0.78 0.00 -0.67 1.85 -1.25 -4.90 116.66 113.33 1pwk n ARG 4 Ca -0.02 -2.59 0.00 0.00 -1.00 0.00 0.00 57.85 54.24 1pwk n ARG 4 Cb 0.11 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1pwk n ARG 4 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1pwk n LYS 5 N 1.33 -0.34 -2.51 2.89 -0.00 -1.26 -4.92 118.16 113.35 1pwk n LYS 5 Ca 0.16 -0.29 -0.42 0.00 -0.00 0.00 0.00 58.31 57.76 1pwk n LYS 5 Cb 0.59 -0.78 -0.03 0.00 -0.00 0.00 0.00 35.03 34.81 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 -0.04 3.32 -0.32 0.58 0.00 -1.26 0.10 121.76 124.14 1pwk s ALA 6 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1pwk s ALA 6 Cb 0.00 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.80 1pwk s ALA 6 CO 0.00 -0.35 0.01 0.08 0.00 0.00 0.00 175.76 175.50 1pwk s VAL 7 N 0.92 2.33 0.83 0.00 1.01 -0.69 -4.92 120.40 119.88 1pwk s VAL 7 Ca 0.56 -2.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 1pwk s VAL 7 Cb -0.27 -2.61 0.09 0.00 0.00 0.00 0.00 36.38 33.59 1pwk s VAL 7 CO 0.29 -0.43 1.14 -0.63 0.00 0.00 0.00 175.10 175.47 1pwk s ILE 8 N 0.98 2.54 0.21 2.22 -1.09 -1.26 -1.50 121.20 123.30 1pwk s ILE 8 Ca 0.05 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1pwk s ILE 8 Cb -0.20 -2.48 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1pwk s ILE 8 CO -0.07 -0.21 0.00 1.17 -1.23 0.00 0.00 174.94 174.60 1pwk n LYS 9 N -3.66 0.00 -4.05 2.79 3.00 -1.08 -4.87 118.16 110.30 1pwk n LYS 9 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.32 1pwk n LYS 9 Cb 0.52 -0.05 -0.07 0.00 0.00 0.00 0.00 35.03 35.43 1pwk n LYS 9 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1pwk s ASN 10 N -4.92 -0.02 0.00 3.14 -0.87 -1.11 -5.04 114.94 106.12 1pwk s ASN 10 Ca 0.00 -1.05 0.00 0.00 -1.57 0.00 0.00 52.86 50.24 1pwk s ASN 10 Cb 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 41.25 41.75 1pwk s ASN 10 CO 0.00 -1.04 0.00 0.00 -2.57 0.00 0.00 177.10 173.49 1pwk n ALA 11 N -0.34 0.00 -2.67 0.60 0.00 -1.26 -1.96 120.51 114.88 1pwk n ALA 11 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1pwk n ALA 11 Cb 0.63 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.16 1pwk n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pwk n ASP 12 N 0.00 -1.41 -2.71 0.00 -0.08 -0.07 -4.95 116.55 107.33 1pwk n ASP 12 Ca 0.00 -1.92 -0.02 0.00 -1.51 0.00 0.00 54.79 51.33 1pwk n ASP 12 Cb 0.00 0.87 0.11 0.00 2.34 0.00 0.00 41.12 44.44 1pwk n ASP 12 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1pwk n MET 13 N 1.36 1.43 0.00 -0.67 0.00 -1.26 -3.62 117.12 114.36 1pwk n MET 13 Ca 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 57.70 55.93 1pwk n MET 13 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 33.22 33.87 1pwk n MET 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1pwk n SER 14 N -1.26 0.00 0.00 3.17 7.64 -1.26 -4.03 113.62 117.88 1pwk n SER 14 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1pwk n SER 14 Cb 0.86 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1pwk n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwk n GLU 15 N -1.90 0.00 0.27 1.43 1.02 -1.26 -4.81 120.64 115.39 1pwk n GLU 15 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1pwk n GLU 15 Cb 0.00 -0.47 0.92 0.00 -0.02 0.00 0.00 31.44 31.87 1pwk n GLU 15 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1pwk h ASP 16 N 0.00 0.00 0.53 1.62 3.58 -2.01 0.91 116.42 121.05 1pwk h ASP 16 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 1pwk h ASP 16 Cb 0.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1pwk h ASP 16 CO 0.00 0.00 -1.65 0.24 -2.88 0.00 0.00 179.24 174.95 1pwk h MET 17 N 0.00 0.00 0.00 0.28 2.86 -1.88 -2.46 114.93 113.73 1pwk h MET 17 Ca 0.03 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1pwk h MET 17 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1pwk h MET 17 CO -0.00 0.54 -0.11 1.96 1.06 0.00 0.00 176.91 180.36 1pwk h GLN 18 N 0.00 0.00 0.00 1.72 4.20 -1.21 1.52 115.11 121.34 1pwk h GLN 18 Ca -0.26 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1pwk h GLN 18 Cb 1.99 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.77 1pwk h GLN 18 CO 0.08 0.11 -0.29 1.96 -0.67 0.00 0.00 178.83 180.02 1pwk h GLN 19 N 0.00 0.00 0.00 1.46 1.08 -1.15 -2.50 115.11 114.00 1pwk h GLN 19 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1pwk h GLN 19 Cb 0.34 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1pwk h GLN 19 CO 0.01 0.82 -0.02 -0.44 -0.95 0.00 0.00 178.83 178.26 1pwk h ASP 20 N -1.00 0.00 0.01 1.46 3.32 -1.13 -1.34 116.42 117.74 1pwk h ASP 20 Ca -0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1pwk h ASP 20 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1pwk h ASP 20 CO -0.04 0.02 -0.01 0.00 -1.72 0.00 0.00 179.24 177.49 1pwk h ALA 21 N 1.98 -0.02 0.00 3.45 0.00 0.21 0.42 119.26 125.30 1pwk h ALA 21 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1pwk h ALA 21 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pwk h ALA 21 CO 0.00 -0.11 -0.07 0.28 0.00 0.00 0.00 179.25 179.35 1pwk h VAL 22 N -0.82 0.91 0.01 0.00 2.07 -1.16 0.41 116.25 117.67 1pwk h VAL 22 Ca -0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1pwk h VAL 22 Cb 0.76 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1pwk h VAL 22 CO 0.00 0.07 -0.26 0.44 0.02 0.00 0.00 177.57 177.85 1pwk h ASP 23 N 0.00 0.03 0.09 0.57 3.32 -1.24 -0.43 116.42 118.76 1pwk h ASP 23 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1pwk h ASP 23 Cb 0.14 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1pwk h ASP 23 CO 0.01 1.11 0.00 0.00 -1.72 0.00 0.00 179.24 178.64 1pwk h ALA 25 N 2.01 0.49 -0.03 0.00 0.00 -0.15 -1.72 119.26 119.86 1pwk h ALA 25 Ca 0.00 -1.33 -0.24 0.00 0.00 0.00 0.00 54.91 53.34 1pwk h ALA 25 Cb 0.04 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pwk h ALA 25 CO 0.00 1.35 -0.94 1.15 0.00 0.00 0.00 179.25 180.81 1pwk h THR 26 N 0.05 1.33 0.05 0.00 2.02 0.73 0.12 112.91 117.21 1pwk h THR 26 Ca -0.33 -2.26 -0.28 0.00 0.77 0.00 0.00 66.41 64.31 1pwk h THR 26 Cb 2.02 2.30 0.02 0.00 -1.74 0.00 0.00 68.15 70.76 1pwk h THR 26 CO 0.11 0.69 -1.13 1.56 0.37 0.00 0.00 175.52 177.11 1pwk h GLN 27 N 0.35 0.67 -0.46 6.66 1.08 -0.20 0.16 115.11 123.37 1pwk h GLN 27 Ca -0.09 -0.79 -0.11 0.00 -1.45 0.00 0.00 58.65 56.21 1pwk h GLN 27 Cb 1.58 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 29.23 1pwk h GLN 27 CO 0.18 1.35 -0.14 0.00 -0.95 0.00 0.00 178.83 179.27 1pwk h ALA 28 N 0.36 0.89 0.00 3.87 0.00 -1.35 0.80 119.26 123.83 1pwk h ALA 28 Ca -0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1pwk h ALA 28 Cb 1.79 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1pwk h ALA 28 CO 0.22 0.63 -0.21 1.98 0.00 0.00 0.00 179.25 181.88 1pwk h MET 29 N 0.77 0.00 0.18 0.00 1.85 -0.75 1.03 114.93 118.01 1pwk h MET 29 Ca 0.12 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.87 1pwk h MET 29 Cb 0.65 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.69 1pwk h MET 29 CO 0.05 0.21 -1.68 1.49 -0.40 0.00 0.00 176.91 176.58 1pwk h GLU 30 N 0.00 0.38 0.00 0.39 4.57 -0.15 -3.37 114.58 116.40 1pwk h GLU 30 Ca -0.00 -0.66 -0.25 0.00 -1.18 0.00 0.00 59.36 57.27 1pwk h GLU 30 Cb 1.05 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 1pwk h GLU 30 CO 0.03 1.31 -1.43 0.87 -1.18 0.00 0.00 179.01 178.61 1pwk h LYS 31 N 0.04 0.00 -4.81 1.92 1.57 0.58 -3.46 116.57 112.42 1pwk h LYS 31 Ca -0.33 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.97 1pwk h LYS 31 Cb 2.05 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 34.05 1pwk h LYS 31 CO 0.17 0.61 -0.81 0.71 -0.57 0.00 0.00 179.45 179.56 1pwk s TYR 32 N -2.68 1.24 -0.15 -1.35 2.02 0.36 -5.01 117.35 111.78 1pwk s TYR 32 Ca -0.03 -0.34 0.17 0.00 -0.37 0.00 0.00 57.07 56.50 1pwk s TYR 32 Cb 0.09 -0.87 0.32 0.00 -0.40 0.00 0.00 41.96 41.10 1pwk s TYR 32 CO 0.82 -0.14 1.17 0.09 -1.57 0.00 0.00 175.55 175.92 1pwk n ASN 33 N 3.30 2.16 0.07 2.29 5.03 -1.26 -3.46 115.26 123.39 1pwk n ASN 33 Ca -0.19 -3.28 -0.08 0.00 0.87 0.00 0.00 54.58 51.90 1pwk n ASN 33 Cb 0.54 -0.45 -0.09 0.00 -1.02 0.00 0.00 39.78 38.75 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 0.36 1.65 0.00 2.41 2.04 -1.94 -3.47 117.51 118.56 1pwk h ILE 34 Ca -0.00 -3.22 0.00 0.00 1.00 0.00 0.00 64.86 62.64 1pwk h ILE 34 Cb 1.01 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1pwk h ILE 34 CO 0.00 0.92 0.00 -0.62 0.00 0.00 0.00 178.15 178.46 1pwk n GLU 35 N -3.43 0.00 0.14 2.37 1.02 -1.26 -4.51 120.64 114.96 1pwk n GLU 35 Ca -0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.18 1pwk n GLU 35 Cb 0.92 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.38 1pwk n GLU 35 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1pwk h LYS 36 N 0.00 0.00 0.00 3.49 3.64 -1.99 -3.11 116.57 118.61 1pwk h LYS 36 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pwk h LYS 36 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1pwk h LYS 36 CO 0.00 0.29 -1.05 -0.25 -2.27 0.00 0.00 179.45 176.17 1pwk n ASP 37 N -3.07 0.72 0.00 4.20 8.00 -1.26 -2.32 116.55 122.83 1pwk n ASP 37 Ca 0.00 0.20 -0.07 0.00 0.71 0.00 0.00 54.79 55.64 1pwk n ASP 37 Cb 0.68 0.60 0.11 0.00 -0.02 0.00 0.00 41.12 42.49 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1pwk h ILE 38 N 0.00 1.30 0.00 0.53 1.08 -1.87 1.45 117.51 120.00 1pwk h ILE 38 Ca 0.00 -1.59 -0.17 0.00 -0.39 0.00 0.00 64.86 62.71 1pwk h ILE 38 Cb 0.93 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 1pwk h ILE 38 CO 0.00 0.50 -0.87 0.00 -0.69 0.00 0.00 178.15 177.09 1pwk h ALA 39 N 1.11 0.55 0.00 1.87 0.00 -1.59 -1.75 119.26 119.45 1pwk h ALA 39 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1pwk h ALA 39 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1pwk h ALA 39 CO 0.08 0.97 -0.83 0.00 0.00 0.00 0.00 179.25 179.47 1pwk h ALA 40 N 1.26 0.68 0.00 0.00 0.00 -1.08 -0.69 119.26 119.43 1pwk h ALA 40 Ca -0.04 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1pwk h ALA 40 Cb 1.60 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1pwk h ALA 40 CO 0.09 0.53 -1.30 -0.92 0.00 0.00 0.00 179.25 177.65 1pwk h TYR 41 N 0.00 0.00 0.00 0.00 3.20 0.20 -1.67 116.97 118.70 1pwk h TYR 41 Ca -0.06 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.62 1pwk h TYR 41 Cb 1.33 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 1pwk h TYR 41 CO 0.00 0.94 -1.38 0.82 -1.64 0.00 0.00 178.16 176.90 1pwk h ILE 42 N 0.00 0.70 0.10 1.81 2.04 -1.39 -1.07 117.51 119.70 1pwk h ILE 42 Ca -0.14 -2.30 -0.26 0.00 1.00 0.00 0.00 64.86 63.16 1pwk h ILE 42 Cb 1.84 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 40.14 1pwk h ILE 42 CO 0.10 0.40 -1.18 0.50 0.00 0.00 0.00 178.15 177.97 1pwk h LYS 43 N 0.00 0.24 0.04 2.37 3.64 -1.20 -1.28 116.57 120.38 1pwk h LYS 43 Ca -0.17 -0.39 -0.26 0.00 -1.27 0.00 0.00 60.65 58.55 1pwk h LYS 43 Cb 1.70 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 1pwk h LYS 43 CO 0.06 1.18 -1.34 1.57 -2.27 0.00 0.00 179.45 178.64 1pwk h LYS 44 N 0.07 0.09 0.00 1.90 5.09 -1.40 -2.22 116.57 120.10 1pwk h LYS 44 Ca -0.11 -0.15 -0.12 0.00 0.09 0.00 0.00 60.65 60.36 1pwk h LYS 44 Cb 1.91 0.06 -0.02 0.00 0.10 0.00 0.00 32.23 34.28 1pwk h LYS 44 CO 0.19 0.92 -0.56 1.49 -2.09 0.00 0.00 179.45 179.41 1pwk h GLU 45 N 0.02 0.00 0.03 0.07 4.81 -1.24 -1.72 114.58 116.55 1pwk h GLU 45 Ca -0.15 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1pwk h GLU 45 Cb 1.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1pwk h GLU 45 CO 0.13 0.56 -0.64 0.74 -0.73 0.00 0.00 179.01 179.07 1pwk h PHE 46 N 0.00 0.12 0.00 0.92 -1.00 -1.29 -3.20 116.94 112.49 1pwk h PHE 46 Ca -0.01 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 1pwk h PHE 46 Cb 1.20 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 1pwk h PHE 46 CO 0.00 1.25 -0.24 0.38 -1.61 0.00 0.00 178.31 178.09 1pwk h ASP 47 N -0.83 0.00 0.75 2.17 3.04 -1.48 1.33 116.42 121.40 1pwk h ASP 47 Ca -0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1pwk h ASP 47 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1pwk h ASP 47 CO -0.03 0.24 0.00 1.17 -2.04 0.00 0.00 179.24 178.58 1pwk n LYS 48 N -3.87 0.24 -0.69 4.15 4.81 -0.65 -3.31 118.16 118.85 1pwk n LYS 48 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.42 1pwk n LYS 48 Cb 0.33 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pwk n LYS 49 N -1.38 0.00 0.00 1.64 5.02 -0.72 -4.89 118.16 117.83 1pwk n LYS 49 Ca 0.11 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1pwk n LYS 49 Cb 0.28 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 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 0.05 0.00 -0.08 2.13 4.02 0.45 -4.98 117.16 118.75 1pwk n TYR 50 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1pwk n TYR 50 Cb 0.66 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 1pwk n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pwk n ASN 51 N 0.00 -1.86 -4.74 7.72 5.03 -1.21 -4.89 115.26 115.31 1pwk n ASN 51 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1pwk n ASN 51 Cb 0.46 0.62 -0.03 0.00 -1.02 0.00 0.00 39.78 39.80 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 -3.89 4.35 -0.02 3.52 0.04 -1.24 -4.48 135.00 133.29 1pwk s PRO 52 Ca 0.00 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 1pwk s PRO 52 Cb 0.00 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.40 1pwk s PRO 52 CO 0.00 -0.30 0.30 0.99 0.04 0.00 0.00 177.00 178.03 1pwk s THR 53 N 0.00 0.05 0.13 1.26 2.01 -1.26 -4.93 115.64 112.91 1pwk s THR 53 Ca 0.57 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1pwk s THR 53 Cb -0.38 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1pwk s THR 53 CO 0.41 -0.25 0.36 0.26 -0.69 0.00 0.00 174.62 174.71 1pwk s TRP 54 N -1.22 3.48 -0.78 4.92 0.52 -1.26 -3.87 118.94 120.73 1pwk s TRP 54 Ca -0.13 0.54 0.02 0.00 0.02 0.00 0.00 56.10 56.55 1pwk s TRP 54 Cb -0.05 -1.99 0.32 0.00 -1.15 0.00 0.00 33.47 30.61 1pwk s TRP 54 CO 0.04 0.46 1.30 0.72 0.02 0.00 0.00 176.95 179.48 1pwk n HIS 55 N 0.16 3.45 -2.38 -1.98 8.25 0.28 -4.86 115.22 118.13 1pwk n HIS 55 Ca -0.03 -3.39 -0.38 0.00 -0.26 0.00 0.00 57.72 53.66 1pwk n HIS 55 Cb 0.52 -0.81 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 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 6.81 4.35 0.05 0.00 1.01 0.54 -4.60 121.20 129.37 1pwk s ILE 57 Ca 0.50 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1pwk s ILE 57 Cb -0.06 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1pwk s ILE 57 CO 0.05 -0.24 -0.17 0.54 0.00 0.00 0.00 174.94 175.12 1pwk s VAL 58 N -2.14 1.36 0.00 2.92 0.11 -1.26 -0.17 120.40 121.21 1pwk s VAL 58 Ca 0.39 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1pwk s VAL 58 Cb -0.08 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 1pwk s VAL 58 CO 0.28 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1pwk n GLY 59 N 1.71 3.59 2.51 6.54 0.00 0.31 -4.94 105.19 114.92 1pwk n GLY 59 Ca -0.18 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 1.91 0.82 -1.71 1.61 0.52 -1.26 0.09 118.95 120.92 1pwk s ARG 60 Ca 0.00 -1.63 -0.16 0.00 -0.52 0.00 0.00 55.73 53.43 1pwk s ARG 60 Cb 0.00 -1.10 0.14 0.00 0.52 0.00 0.00 34.95 34.51 1pwk s ARG 60 CO 0.00 -1.32 0.56 0.45 0.02 0.00 0.00 175.30 175.02 1pwk n SER 61 N 3.30 -1.82 -0.92 0.23 2.88 -1.26 -4.81 113.62 111.23 1pwk n SER 61 Ca 0.22 -1.13 0.05 0.00 -1.33 0.00 0.00 58.87 56.68 1pwk n SER 61 Cb 0.47 -2.22 0.18 0.00 -0.75 0.00 0.00 64.21 61.89 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 -1.53 1.42 3.63 0.46 0.00 -1.26 -4.92 105.19 102.99 1pwk n GLY 62 Ca -0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 0.47 -4.20 -0.03 1.61 4.05 -1.26 -4.91 115.26 110.99 1pwk n ASN 63 Ca 0.13 -0.91 0.02 0.00 0.45 0.00 0.00 54.58 54.27 1pwk n ASN 63 Cb 0.50 -3.85 0.03 0.00 1.23 0.00 0.00 39.78 37.69 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 -4.05 0.00 -1.02 1.20 1.16 -1.26 -4.68 117.46 108.80 1pwk n PHE 64 Ca -0.15 -0.53 0.05 0.00 -1.87 0.00 0.00 57.45 54.94 1pwk n PHE 64 Cb 0.62 -0.06 0.29 0.00 -1.61 0.00 0.00 39.48 38.72 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 -0.62 3.85 2.70 4.97 0.00 -1.26 -4.54 105.19 110.28 1pwk n GLY 65 Ca 0.03 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.28 -0.31 0.00 1.61 7.64 -1.26 -4.82 113.62 116.20 1pwk n SER 66 Ca 0.26 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1pwk n SER 66 Cb 1.04 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1pwk n SER 66 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1pwk n TYR 67 N -0.55 0.00 1.30 1.43 4.01 -1.26 -4.88 117.16 117.21 1pwk n TYR 67 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1pwk n TYR 67 Cb 0.84 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 40.51 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 -1.41 0.11 0.18 -0.72 0.31 -1.26 -3.58 118.33 111.97 1pwk n VAL 68 Ca 0.00 0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1pwk n VAL 68 Cb 0.00 -0.67 -0.07 0.00 -0.91 0.00 0.00 33.84 32.20 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 0.00 0.40 -0.08 2.52 2.02 -1.93 -3.46 112.91 112.38 1pwk h THR 69 Ca 0.00 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1pwk h THR 69 Cb 0.07 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1pwk h THR 69 CO 0.00 0.08 -0.03 1.41 0.37 0.00 0.00 175.52 177.36 1pwk n HIS 70 N -5.14 -0.01 -2.81 3.16 8.25 -1.23 -1.13 115.22 116.31 1pwk n HIS 70 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 1pwk n HIS 70 Cb 0.27 -1.91 0.03 0.00 1.12 0.00 0.00 29.99 29.50 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 0.64 -2.56 0.00 -0.41 1.02 -1.26 -5.02 120.64 113.05 1pwk n GLU 71 Ca -0.01 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1pwk n GLU 71 Cb 0.45 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 28.26 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 -3.16 0.00 0.00 2.62 5.66 -0.29 -5.01 114.28 114.10 1pwk n THR 72 Ca -0.01 0.60 0.00 0.00 -3.05 0.00 0.00 64.05 61.59 1pwk n THR 72 Cb 0.52 -1.56 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 1pwk n THR 72 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pwk n LYS 73 N -0.11 0.00 -4.85 1.09 4.76 -1.25 -5.06 118.16 112.74 1pwk n LYS 73 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1pwk n LYS 73 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 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 -0.04 2.59 0.09 2.13 3.76 -1.26 -5.01 115.29 117.55 1pwk s HIS 74 Ca 0.00 -0.24 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1pwk s HIS 74 Cb 0.00 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.21 1pwk s HIS 74 CO 0.00 0.19 0.54 -0.59 -0.85 0.00 0.00 174.74 174.03 1pwk s PHE 75 N -0.80 -0.45 0.05 1.40 -0.71 -1.24 -1.04 117.98 115.20 1pwk s PHE 75 Ca 0.13 0.38 -0.10 0.00 -1.04 0.00 0.00 56.93 56.31 1pwk s PHE 75 Cb -0.10 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 1pwk s PHE 75 CO 0.02 -0.73 0.20 -1.50 -1.34 0.00 0.00 175.22 171.88 1pwk s ILE 76 N -3.03 0.12 -0.24 -4.49 2.07 0.36 -0.90 121.20 115.08 1pwk s ILE 76 Ca -0.02 -0.95 -0.05 0.00 -1.41 0.00 0.00 60.65 58.22 1pwk s ILE 76 Cb -0.00 -1.03 0.13 0.00 0.13 0.00 0.00 42.46 41.68 1pwk s ILE 76 CO -0.06 -0.52 0.46 -0.47 -1.91 0.00 0.00 174.94 172.43 1pwk s TYR 77 N -2.92 -1.01 0.09 3.50 5.04 -0.83 -1.27 117.35 119.95 1pwk s TYR 77 Ca -0.02 1.43 0.01 0.00 -2.44 0.00 0.00 57.07 56.05 1pwk s TYR 77 Cb 0.01 0.32 -0.04 0.00 0.35 0.00 0.00 41.96 42.59 1pwk s TYR 77 CO -0.06 -0.65 -0.06 -0.59 -1.34 0.00 0.00 175.55 172.85 1pwk s PHE 78 N 2.67 0.83 0.16 4.97 -0.71 -0.45 -2.62 117.98 122.83 1pwk s PHE 78 Ca 0.06 -0.93 0.07 0.00 -1.04 0.00 0.00 56.93 55.10 1pwk s PHE 78 Cb -0.14 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 1pwk s PHE 78 CO -0.16 -0.18 -0.03 0.71 -1.34 0.00 0.00 175.22 174.22 1pwk s TYR 79 N -3.61 2.79 -0.61 3.49 1.51 -0.56 -0.78 117.35 119.59 1pwk s TYR 79 Ca 0.11 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1pwk s TYR 79 Cb 0.05 -1.37 0.19 0.00 -0.11 0.00 0.00 41.96 40.72 1pwk s TYR 79 CO -0.05 0.50 0.53 1.28 -1.11 0.00 0.00 175.55 176.70 1pwk n LEU 80 N 0.06 2.26 0.00 -1.29 4.32 0.11 -1.70 117.00 120.76 1pwk n LEU 80 Ca -0.10 -5.06 0.00 0.00 -0.02 0.00 0.00 56.01 50.83 1pwk n LEU 80 Cb 0.55 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1pwk n LEU 80 CO 0.37 1.87 0.00 0.61 -1.22 0.00 0.00 177.39 179.03 1pwk n GLY 81 N 1.83 1.25 0.00 -0.72 0.00 0.11 -2.22 105.19 105.44 1pwk n GLY 81 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 3.37 -3.29 1.61 1.13 -1.26 -4.99 117.38 113.94 1pwk n GLN 82 Ca 0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 1pwk n GLN 82 Cb 0.00 -0.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.90 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pwk s VAL 83 N -0.69 5.06 -0.16 5.09 1.01 -0.94 -4.02 120.40 125.74 1pwk s VAL 83 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1pwk s VAL 83 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1pwk s VAL 83 CO 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 175.10 174.65 1pwk s ALA 84 N -2.26 0.86 0.04 5.51 0.00 0.11 0.04 121.76 126.06 1pwk s ALA 84 Ca 0.42 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1pwk s ALA 84 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1pwk s ALA 84 CO 0.34 -0.99 -0.00 0.42 0.00 0.00 0.00 175.76 175.53 1pwk s ILE 85 N 1.92 4.07 -0.16 0.00 1.01 0.04 0.11 121.20 128.20 1pwk s ILE 85 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1pwk s ILE 85 Cb -0.16 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1pwk s ILE 85 CO -0.07 0.27 0.02 -1.48 0.00 0.00 0.00 174.94 173.68 1pwk s LEU 86 N -1.86 1.02 -0.12 2.97 2.34 0.76 -1.35 118.68 122.44 1pwk s LEU 86 Ca 0.22 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.82 1pwk s LEU 86 Cb -0.12 -0.57 -0.02 0.00 -0.56 0.00 0.00 46.19 44.93 1pwk s LEU 86 CO 0.13 -0.27 -0.12 -0.22 -1.06 0.00 0.00 176.35 174.81 1pwk s LEU 87 N 1.88 2.76 -0.06 1.48 0.20 -0.39 -0.34 118.68 124.21 1pwk s LEU 87 Ca 0.01 -0.29 -0.29 0.00 0.69 0.00 0.00 54.13 54.25 1pwk s LEU 87 Cb -0.16 -1.62 0.11 0.00 -0.43 0.00 0.00 46.19 44.09 1pwk s LEU 87 CO -0.07 0.19 0.88 0.72 -0.29 0.00 0.00 176.35 177.79 1pwk s PHE 88 N 0.18 -0.41 -0.59 5.38 -0.71 -1.25 0.13 117.98 120.71 1pwk s PHE 88 Ca -0.07 0.50 -0.18 0.00 -1.04 0.00 0.00 56.93 56.14 1pwk s PHE 88 Cb -0.15 0.49 0.11 0.00 -1.21 0.00 0.00 43.02 42.26 1pwk s PHE 88 CO 0.05 -0.49 0.66 0.21 -1.34 0.00 0.00 175.22 174.30 1pwk s LYS 89 N -2.13 3.05 -0.33 1.99 2.47 -0.20 0.98 119.74 125.56 1pwk s LYS 89 Ca -0.00 -1.47 0.03 0.00 -1.56 0.00 0.00 55.97 52.97 1pwk s LYS 89 Cb -0.01 -4.29 0.48 0.00 -1.46 0.00 0.00 37.83 32.55 1pwk s LYS 89 CO -0.03 -1.48 1.68 0.45 0.16 0.00 0.00 175.35 176.13 1pwk n SER 90 N 5.97 3.66 -0.60 1.43 2.88 -1.25 -3.88 113.62 121.83 1pwk n SER 90 Ca -0.10 -3.18 0.07 0.00 -1.33 0.00 0.00 58.87 54.34 1pwk n SER 90 Cb 0.42 -0.76 0.06 0.00 -0.75 0.00 0.00 64.21 63.19 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42