#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 -2.50 -3.40 7.83 3.41 -1.26 -3.33 113.62 114.38 1pwk n SER 2 Ca 0.00 -0.85 -0.34 0.00 -0.26 0.00 0.00 58.87 57.42 1pwk n SER 2 Cb 0.00 -3.72 0.03 0.00 -0.26 0.00 0.00 64.21 60.26 1pwk n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pwk n ASP 3 N -2.93 -5.91 -3.17 4.04 5.68 -1.26 -4.98 116.55 108.02 1pwk n ASP 3 Ca -0.15 -0.04 -0.21 0.00 -0.50 0.00 0.00 54.79 53.89 1pwk n ASP 3 Cb 0.61 -2.25 -0.06 0.00 -1.14 0.00 0.00 41.12 38.28 1pwk n ASP 3 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pwk n ARG 4 N -0.18 0.52 -2.59 0.11 5.12 -1.21 -5.04 116.66 113.38 1pwk n ARG 4 Ca -0.05 -2.93 -0.06 0.00 -1.93 0.00 0.00 57.85 52.88 1pwk n ARG 4 Cb 0.65 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 30.47 1pwk n ARG 4 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1pwk n LYS 5 N 2.07 -4.70 -1.31 5.56 3.00 -1.26 -4.70 118.16 116.83 1pwk n LYS 5 Ca 0.23 3.52 0.00 0.00 -0.00 0.00 0.00 58.31 62.06 1pwk n LYS 5 Cb 0.53 -5.11 0.00 0.00 0.00 0.00 0.00 35.03 30.45 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 1.74 -2.61 -3.69 3.14 0.00 -1.25 -4.77 120.51 113.07 1pwk n ALA 6 Ca -0.43 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 1pwk n ALA 6 Cb 0.66 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 0.80 0.21 0.00 1.01 0.14 -4.51 120.40 118.04 1pwk s VAL 7 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 61.98 60.13 1pwk s VAL 7 Cb 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 36.38 34.65 1pwk s VAL 7 CO 0.00 -0.74 1.58 -0.38 0.00 0.00 0.00 175.10 175.56 1pwk n ILE 8 N 4.63 0.40 0.00 2.22 5.41 -1.26 -2.04 119.36 128.72 1pwk n ILE 8 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1pwk n ILE 8 Cb 0.40 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 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 3.00 0.00 -3.48 0.38 4.81 -1.14 -4.87 118.16 116.86 1pwk n LYS 9 Ca 0.14 0.19 -0.09 0.00 -0.87 0.00 0.00 58.31 57.68 1pwk n LYS 9 Cb 0.32 -0.66 -0.02 0.00 0.02 0.00 0.00 35.03 34.70 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 -3.22 -0.41 0.21 3.14 2.47 -1.07 -5.06 114.94 110.99 1pwk s ASN 10 Ca 0.00 -0.00 -0.15 0.00 0.42 0.00 0.00 52.86 53.12 1pwk s ASN 10 Cb 0.00 0.44 0.01 0.00 -1.45 0.00 0.00 41.25 40.25 1pwk s ASN 10 CO 0.00 -0.71 0.49 0.00 -3.72 0.00 0.00 177.10 173.16 1pwk s ALA 11 N -3.28 -0.67 -0.10 1.71 0.00 -1.26 -1.82 121.76 116.34 1pwk s ALA 11 Ca 0.04 -0.47 0.20 0.00 0.00 0.00 0.00 51.96 51.72 1pwk s ALA 11 Cb -0.01 0.90 0.43 0.00 0.00 0.00 0.00 23.12 24.44 1pwk s ALA 11 CO -0.10 -0.81 1.19 -0.25 0.00 0.00 0.00 175.76 175.79 1pwk n ASP 12 N -0.34 1.38 -3.09 0.00 9.92 0.41 -4.94 116.55 119.88 1pwk n ASP 12 Ca -0.07 -2.78 -0.08 0.00 -0.53 0.00 0.00 54.79 51.33 1pwk n ASP 12 Cb 0.62 -0.40 0.03 0.00 -0.64 0.00 0.00 41.12 40.74 1pwk n ASP 12 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1pwk n MET 13 N -0.19 0.66 -0.09 -1.24 2.81 -1.26 -4.27 117.12 113.55 1pwk n MET 13 Ca 0.12 -1.16 0.10 0.00 -1.81 0.00 0.00 57.70 54.95 1pwk n MET 13 Cb 0.96 -0.15 0.35 0.00 -0.71 0.00 0.00 33.22 33.66 1pwk n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pwk n SER 14 N -2.82 1.74 0.00 7.83 2.88 -1.26 -4.92 113.62 117.07 1pwk n SER 14 Ca 0.06 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.86 1pwk n SER 14 Cb 0.23 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1pwk n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwk n GLU 15 N 0.38 0.00 0.32 -1.46 1.02 -1.26 -4.80 120.64 114.83 1pwk n GLU 15 Ca 0.16 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.49 1pwk n GLU 15 Cb 0.33 0.00 1.05 0.00 -0.02 0.00 0.00 31.44 32.81 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 0.68 1.62 3.04 -2.00 0.10 116.42 119.87 1pwk h ASP 16 Ca 0.00 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.59 1pwk h ASP 16 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 1pwk h ASP 16 CO 0.00 0.01 -1.44 0.24 -2.04 0.00 0.00 179.24 176.01 1pwk h MET 17 N 0.00 0.00 0.00 4.15 2.86 -1.95 -2.38 114.93 117.60 1pwk h MET 17 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1pwk h MET 17 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1pwk h MET 17 CO 0.00 0.36 -0.20 1.96 1.06 0.00 0.00 176.91 180.09 1pwk h GLN 18 N 0.00 0.00 0.15 1.72 1.08 -1.21 1.25 115.11 118.09 1pwk h GLN 18 Ca -0.18 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.67 1pwk h GLN 18 Cb 1.69 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.11 1pwk h GLN 18 CO 0.06 0.20 -1.83 -0.56 -0.95 0.00 0.00 178.83 175.75 1pwk h GLN 19 N 0.00 0.31 0.00 1.46 3.07 -1.39 -2.38 115.11 116.18 1pwk h GLN 19 Ca -0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 58.65 58.19 1pwk h GLN 19 Cb 0.51 0.20 -0.00 0.00 0.08 0.00 0.00 27.48 28.26 1pwk h GLN 19 CO 0.03 1.25 -0.08 0.22 0.09 0.00 0.00 178.83 180.34 1pwk h ASP 20 N 0.02 0.00 0.03 0.06 3.58 -1.15 -1.15 116.42 117.80 1pwk h ASP 20 Ca -0.38 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.95 1pwk h ASP 20 Cb 2.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.06 1pwk h ASP 20 CO 0.11 0.08 -0.61 0.00 -2.88 0.00 0.00 179.24 175.95 1pwk h ALA 21 N 1.92 0.09 0.00 -0.78 0.00 0.15 0.03 119.26 120.66 1pwk h ALA 21 Ca -0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 1pwk h ALA 21 Cb 0.80 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pwk h ALA 21 CO 0.01 0.34 -0.23 0.28 0.00 0.00 0.00 179.25 179.65 1pwk h VAL 22 N -0.85 1.16 0.10 0.00 2.07 -1.45 0.43 116.25 117.72 1pwk h VAL 22 Ca -0.15 -0.80 -0.19 0.00 0.82 0.00 0.00 66.70 66.38 1pwk h VAL 22 Cb 1.24 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1pwk h VAL 22 CO -0.04 0.23 -0.91 -0.78 0.02 0.00 0.00 177.57 176.09 1pwk h ASP 23 N 0.00 0.34 0.41 0.57 3.58 -1.31 0.36 116.42 120.37 1pwk h ASP 23 Ca -0.00 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.55 1pwk h ASP 23 Cb 0.41 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1pwk h ASP 23 CO 0.03 1.41 0.00 0.00 -2.88 0.00 0.00 179.24 177.80 1pwk h ALA 25 N 2.05 0.56 -0.00 0.00 0.00 -0.10 -1.94 119.26 119.83 1pwk h ALA 25 Ca 0.00 -1.40 -0.22 0.00 0.00 0.00 0.00 54.91 53.29 1pwk h ALA 25 Cb 0.21 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pwk h ALA 25 CO 0.00 1.42 -0.93 1.15 0.00 0.00 0.00 179.25 180.88 1pwk h THR 26 N 0.04 1.40 0.18 0.00 2.02 0.16 0.18 112.91 116.90 1pwk h THR 26 Ca -0.35 -2.45 -0.30 0.00 0.77 0.00 0.00 66.41 64.08 1pwk h THR 26 Cb 2.03 2.41 0.03 0.00 -1.74 0.00 0.00 68.15 70.88 1pwk h THR 26 CO 0.09 0.73 -1.28 1.56 0.37 0.00 0.00 175.52 176.99 1pwk h GLN 27 N 0.23 0.55 -0.22 6.66 1.08 -0.17 -0.05 115.11 123.18 1pwk h GLN 27 Ca -0.08 -0.83 -0.13 0.00 -1.45 0.00 0.00 58.65 56.16 1pwk h GLN 27 Cb 1.57 0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 29.28 1pwk h GLN 27 CO 0.16 1.39 -0.41 0.00 -0.95 0.00 0.00 178.83 179.02 1pwk h ALA 28 N 0.20 0.88 0.00 3.87 0.00 -1.40 0.78 119.26 123.59 1pwk h ALA 28 Ca -0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 1pwk h ALA 28 Cb 1.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1pwk h ALA 28 CO 0.24 0.64 -0.56 1.98 0.00 0.00 0.00 179.25 181.55 1pwk h MET 29 N 0.43 0.00 0.18 0.00 1.85 -0.69 0.61 114.93 117.31 1pwk h MET 29 Ca 0.04 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.78 1pwk h MET 29 Cb 0.90 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.93 1pwk h MET 29 CO 0.08 0.56 -1.69 1.49 -0.40 0.00 0.00 176.91 176.95 1pwk h GLU 30 N 0.00 0.38 0.00 0.39 4.81 -0.72 -3.35 114.58 116.08 1pwk h GLU 30 Ca -0.01 -0.65 -0.10 0.00 -0.13 0.00 0.00 59.36 58.48 1pwk h GLU 30 Cb 1.36 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 1pwk h GLU 30 CO 0.07 1.29 -1.00 -0.22 -0.73 0.00 0.00 179.01 178.42 1pwk h LYS 31 N 0.10 0.00 -4.41 1.92 3.64 0.52 -3.45 116.57 114.90 1pwk h LYS 31 Ca -0.32 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.57 1pwk h LYS 31 Cb 2.09 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 33.58 1pwk h LYS 31 CO 0.18 0.24 -0.80 0.71 -2.27 0.00 0.00 179.45 177.51 1pwk s TYR 32 N -3.07 1.28 -0.08 1.91 1.51 0.21 -5.00 117.35 114.11 1pwk s TYR 32 Ca -0.00 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1pwk s TYR 32 Cb 0.08 -0.97 0.09 0.00 -0.11 0.00 0.00 41.96 41.05 1pwk s TYR 32 CO 0.78 -0.26 1.05 0.09 -1.11 0.00 0.00 175.55 176.10 1pwk n ASN 33 N 3.90 2.16 -0.08 2.29 5.03 -1.26 -3.85 115.26 123.45 1pwk n ASN 33 Ca -0.23 -2.26 -0.12 0.00 0.87 0.00 0.00 54.58 52.84 1pwk n ASN 33 Cb 0.51 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 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 0.14 1.28 0.00 2.41 2.04 -1.94 -3.47 117.51 117.98 1pwk h ILE 34 Ca 0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1pwk h ILE 34 Cb 0.64 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1pwk h ILE 34 CO 0.00 0.54 0.00 -0.62 0.00 0.00 0.00 178.15 178.07 1pwk n GLU 35 N -4.03 0.00 -0.03 2.37 -0.58 -1.26 -4.69 120.64 112.43 1pwk n GLU 35 Ca -0.03 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.77 1pwk n GLU 35 Cb 0.57 -0.30 -0.16 0.00 -0.57 0.00 0.00 31.44 30.99 1pwk n GLU 35 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pwk n LYS 36 N -1.04 0.68 0.07 3.49 0.00 -1.26 -3.83 118.16 116.27 1pwk n LYS 36 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 58.31 58.28 1pwk n LYS 36 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.54 1pwk n LYS 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1pwk n ASP 37 N -2.34 0.67 0.08 3.14 2.03 -1.26 -2.66 116.55 116.22 1pwk n ASP 37 Ca -0.10 0.15 -0.09 0.00 0.52 0.00 0.00 54.79 55.27 1pwk n ASP 37 Cb 0.68 0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 41.75 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pwk h ILE 38 N 0.00 1.51 0.02 5.18 2.04 -1.87 1.11 117.51 125.50 1pwk h ILE 38 Ca 0.00 -2.69 -0.21 0.00 1.00 0.00 0.00 64.86 62.96 1pwk h ILE 38 Cb 0.91 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 1pwk h ILE 38 CO 0.00 0.78 -0.95 0.00 0.00 0.00 0.00 178.15 177.99 1pwk h ALA 39 N 0.95 0.44 0.00 1.87 0.00 -1.66 -0.69 119.26 120.18 1pwk h ALA 39 Ca -0.05 -0.80 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 1pwk h ALA 39 Cb 1.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1pwk h ALA 39 CO 0.14 1.03 -0.89 0.00 0.00 0.00 0.00 179.25 179.53 1pwk h ALA 40 N 0.97 0.64 0.00 0.00 0.00 -1.36 -0.92 119.26 118.60 1pwk h ALA 40 Ca -0.04 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 1pwk h ALA 40 Cb 1.63 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1pwk h ALA 40 CO 0.14 0.78 -1.07 -0.92 0.00 0.00 0.00 179.25 178.18 1pwk h TYR 41 N 0.00 0.00 0.00 0.00 3.20 0.13 -0.67 116.97 119.64 1pwk h TYR 41 Ca -0.06 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.62 1pwk h TYR 41 Cb 1.49 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.73 1pwk h TYR 41 CO 0.00 0.97 -1.10 0.82 -1.64 0.00 0.00 178.16 177.21 1pwk h ILE 42 N 0.00 1.04 -0.02 1.81 2.04 -1.18 -1.31 117.51 119.89 1pwk h ILE 42 Ca -0.04 -2.63 -0.21 0.00 1.00 0.00 0.00 64.86 62.97 1pwk h ILE 42 Cb 1.78 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 1pwk h ILE 42 CO 0.12 0.59 -0.88 0.50 0.00 0.00 0.00 178.15 178.48 1pwk h LYS 43 N 0.00 0.40 0.00 2.37 3.64 -1.16 -1.23 116.57 120.59 1pwk h LYS 43 Ca -0.10 -0.41 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 1pwk h LYS 43 Cb 1.67 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 1pwk h LYS 43 CO 0.08 1.07 -0.68 0.87 -2.27 0.00 0.00 179.45 178.52 1pwk h LYS 44 N 0.24 0.00 0.03 1.90 1.57 -1.14 -1.65 116.57 117.52 1pwk h LYS 44 Ca -0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 1pwk h LYS 44 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1pwk h LYS 44 CO 0.15 0.68 -0.98 0.93 -0.57 0.00 0.00 179.45 179.66 1pwk h GLU 45 N 0.00 0.23 0.00 3.15 5.08 -1.12 -2.12 114.58 119.80 1pwk h GLU 45 Ca -0.01 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1pwk h GLU 45 Cb 1.40 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1pwk h GLU 45 CO 0.09 1.04 -1.21 1.19 -1.00 0.00 0.00 179.01 179.12 1pwk n PHE 46 N -3.62 0.97 0.05 4.33 3.72 -0.48 -2.71 117.46 119.72 1pwk n PHE 46 Ca -0.05 0.30 -0.22 0.00 -0.05 0.00 0.00 57.45 57.43 1pwk n PHE 46 Cb 0.87 -1.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.25 1pwk n PHE 46 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1pwk h ASP 47 N 0.00 0.54 0.36 4.37 3.32 -1.39 -3.28 116.42 120.33 1pwk h ASP 47 Ca -0.08 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.03 1pwk h ASP 47 Cb 1.28 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1pwk h ASP 47 CO 0.02 1.82 -0.40 1.17 -1.72 0.00 0.00 179.24 180.13 1pwk n LYS 48 N -3.55 0.41 -2.49 3.56 4.81 -0.80 -1.90 118.16 118.21 1pwk n LYS 48 Ca -0.28 -0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 56.83 1pwk n LYS 48 Cb 1.07 -1.49 0.04 0.00 0.02 0.00 0.00 35.03 34.66 1pwk n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1pwk n LYS 49 N -1.08 2.47 0.00 1.64 3.00 -1.10 -4.80 118.16 118.28 1pwk n LYS 49 Ca 0.09 -3.76 0.00 0.00 -0.00 0.00 0.00 58.31 54.64 1pwk n LYS 49 Cb 0.34 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 -0.64 0.00 0.00 5.64 4.01 -1.24 -4.86 117.16 120.07 1pwk n TYR 50 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1pwk n TYR 50 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 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 -0.62 0.00 -4.72 7.72 5.03 -1.15 -5.05 115.26 116.47 1pwk n ASN 51 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 1pwk n ASN 51 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1pwk n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1pwk n PRO 52 N 0.00 1.73 -4.00 3.52 -0.04 -0.80 -4.66 135.00 130.75 1pwk n PRO 52 Ca 0.00 0.63 -0.09 0.00 -0.04 0.00 0.00 63.50 64.00 1pwk n PRO 52 Cb 0.00 -2.48 -0.11 0.00 -0.04 0.00 0.00 33.50 30.87 1pwk n PRO 52 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1pwk s THR 53 N -1.28 0.13 0.24 0.52 2.01 -1.26 -4.90 115.64 111.10 1pwk s THR 53 Ca 0.68 -1.06 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1pwk s THR 53 Cb -0.45 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1pwk s THR 53 CO 0.52 -0.58 0.16 0.26 -0.69 0.00 0.00 174.62 174.29 1pwk s TRP 54 N -1.88 3.06 -0.39 4.92 0.52 -1.26 -4.17 118.94 119.74 1pwk s TRP 54 Ca -0.12 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 55.95 1pwk s TRP 54 Cb -0.07 -1.39 0.43 0.00 -1.15 0.00 0.00 33.47 31.29 1pwk s TRP 54 CO -0.02 0.53 1.13 0.72 0.02 0.00 0.00 176.95 179.33 1pwk n HIS 55 N -0.99 3.17 -1.67 -1.98 8.25 0.27 -4.94 115.22 117.33 1pwk n HIS 55 Ca -0.08 -2.82 -0.45 0.00 -0.26 0.00 0.00 57.72 54.11 1pwk n HIS 55 Cb 0.57 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 4.21 3.05 -0.05 0.00 1.01 -0.39 -4.86 121.20 124.16 1pwk s ILE 57 Ca 0.90 -2.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 1pwk s ILE 57 Cb -0.54 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.22 1pwk s ILE 57 CO 0.46 -0.33 0.03 -0.69 0.00 0.00 0.00 174.94 174.41 1pwk s VAL 58 N -2.41 0.11 0.00 2.92 1.01 -1.26 -0.10 120.40 120.67 1pwk s VAL 58 Ca 0.32 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1pwk s VAL 58 Cb -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1pwk s VAL 58 CO 0.19 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1pwk n GLY 59 N 5.03 3.32 0.40 4.51 0.00 -0.80 -4.96 105.19 112.69 1pwk n GLY 59 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.67 1.61 3.00 -1.26 0.17 116.66 117.51 1pwk n ARG 60 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.63 1pwk n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1pwk n ARG 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1pwk n SER 61 N -1.56 3.31 -1.29 0.55 3.41 -1.26 -4.25 113.62 112.53 1pwk n SER 61 Ca 0.00 -3.34 -0.04 0.00 -0.26 0.00 0.00 58.87 55.23 1pwk n SER 61 Cb 0.00 -0.51 0.12 0.00 -0.26 0.00 0.00 64.21 63.55 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 -0.24 2.57 2.96 5.00 0.00 -1.26 -4.87 105.19 109.34 1pwk n GLY 62 Ca 0.27 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.04 -6.11 -1.95 1.61 4.05 -1.26 -4.89 115.26 106.74 1pwk n ASN 63 Ca 0.18 -0.51 -0.16 0.00 0.45 0.00 0.00 54.58 54.53 1pwk n ASN 63 Cb 0.81 -4.53 0.01 0.00 1.23 0.00 0.00 39.78 37.30 1pwk n ASN 63 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1pwk n PHE 64 N -2.76 1.32 -1.05 1.20 3.72 -1.26 -3.78 117.46 114.85 1pwk n PHE 64 Ca -0.05 -1.84 0.00 0.00 -0.05 0.00 0.00 57.45 55.51 1pwk n PHE 64 Cb 0.59 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 1pwk n PHE 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pwk n GLY 65 N 0.65 -2.79 1.27 1.37 0.00 -1.26 -4.82 105.19 99.61 1pwk n GLY 65 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.12 -0.33 1.61 2.88 -1.25 -4.90 113.62 111.75 1pwk n SER 66 Ca 0.00 -1.99 -0.01 0.00 -1.33 0.00 0.00 58.87 55.54 1pwk n SER 66 Cb 0.50 -0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pwk n TYR 67 N 0.28 0.00 1.00 0.66 9.36 -1.26 -4.97 117.16 122.23 1pwk n TYR 67 Ca -0.09 -0.05 0.10 0.00 3.32 0.00 0.00 57.90 61.18 1pwk n TYR 67 Cb 0.95 0.23 -0.07 0.00 -0.63 0.00 0.00 39.34 39.82 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1pwk n VAL 68 N 0.00 0.00 -0.08 2.97 0.31 -1.26 -4.54 118.33 115.73 1pwk n VAL 68 Ca -0.03 -0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1pwk n VAL 68 Cb 0.27 0.89 -0.04 0.00 -0.91 0.00 0.00 33.84 34.05 1pwk n VAL 68 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pwk n THR 69 N -1.50 1.45 -0.87 2.52 -1.04 -1.26 -4.91 114.28 108.68 1pwk n THR 69 Ca 0.04 0.13 -0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1pwk n THR 69 Cb 0.33 -2.29 -0.00 0.00 -1.82 0.00 0.00 70.33 66.55 1pwk n THR 69 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1pwk n HIS 70 N -4.55 -0.00 -2.78 -1.42 -0.00 -1.26 -1.13 115.22 104.07 1pwk n HIS 70 Ca -0.15 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 57.96 1pwk n HIS 70 Cb 0.40 -1.81 0.02 0.00 -0.12 0.00 0.00 29.99 28.49 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 0.79 -2.17 0.00 1.57 1.02 -1.26 -5.05 120.64 115.54 1pwk n GLU 71 Ca -0.00 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1pwk n GLU 71 Cb 0.43 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.43 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 -3.13 0.00 0.00 2.62 5.66 -0.29 -5.07 114.28 114.07 1pwk n THR 72 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pwk n THR 72 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.00 0.00 -4.14 1.09 4.76 -1.26 -5.03 118.16 113.58 1pwk n LYS 73 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1pwk n LYS 73 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 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 -0.85 2.80 0.00 2.13 3.76 -1.26 -4.97 115.29 116.90 1pwk s HIS 74 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1pwk s HIS 74 Cb 0.00 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.24 1pwk s HIS 74 CO 0.00 0.46 0.00 1.97 -0.85 0.00 0.00 174.74 176.32 1pwk n PHE 75 N -1.09 0.00 -3.90 1.40 1.16 -1.26 -3.88 117.46 109.89 1pwk n PHE 75 Ca -0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.44 1pwk n PHE 75 Cb 0.60 0.00 -0.08 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 -2.00 0.14 -0.29 1.97 2.07 0.16 0.15 121.20 123.39 1pwk s ILE 76 Ca 0.00 -1.12 -0.14 0.00 -1.41 0.00 0.00 60.65 57.98 1pwk s ILE 76 Cb 0.00 -1.08 0.14 0.00 0.13 0.00 0.00 42.46 41.64 1pwk s ILE 76 CO 0.00 -0.62 0.85 -0.72 -1.91 0.00 0.00 174.94 172.54 1pwk s TYR 77 N -3.07 -0.88 0.12 3.50 -0.85 -0.76 0.33 117.35 115.74 1pwk s TYR 77 Ca -0.01 1.61 0.04 0.00 -0.52 0.00 0.00 57.07 58.19 1pwk s TYR 77 Cb 0.01 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1pwk s TYR 77 CO -0.07 -0.44 -0.10 -0.59 -1.52 0.00 0.00 175.55 172.84 1pwk s PHE 78 N 2.13 1.15 0.13 -3.49 -0.71 0.04 -2.59 117.98 114.65 1pwk s PHE 78 Ca -0.06 -0.72 0.05 0.00 -1.04 0.00 0.00 56.93 55.15 1pwk s PHE 78 Cb -0.07 -0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 1pwk s PHE 78 CO -0.18 0.03 0.10 0.71 -1.34 0.00 0.00 175.22 174.54 1pwk s TYR 79 N -2.94 3.13 -0.51 3.49 2.02 -0.87 -0.37 117.35 121.30 1pwk s TYR 79 Ca 0.11 0.00 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 1pwk s TYR 79 Cb 0.00 -1.54 0.22 0.00 -0.40 0.00 0.00 41.96 40.24 1pwk s TYR 79 CO -0.00 0.52 0.54 1.28 -1.57 0.00 0.00 175.55 176.31 1pwk n LEU 80 N -0.03 1.45 0.00 -1.29 4.32 0.33 0.24 117.00 122.02 1pwk n LEU 80 Ca -0.09 -4.91 0.00 0.00 -0.02 0.00 0.00 56.01 51.00 1pwk n LEU 80 Cb 0.54 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1pwk n LEU 80 CO 0.43 1.97 0.00 0.61 -1.22 0.00 0.00 177.39 179.18 1pwk n GLY 81 N 1.66 1.87 0.00 -0.72 0.00 -1.26 -2.22 105.19 104.52 1pwk n GLY 81 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1pwk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwk n GLN 82 N 0.00 5.91 -2.74 1.61 10.64 -1.26 -4.88 117.38 126.66 1pwk n GLN 82 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 1pwk n GLN 82 Cb 0.00 -0.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.92 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwk s VAL 83 N -0.98 2.73 -0.28 -0.39 1.01 -0.94 -4.12 120.40 117.43 1pwk s VAL 83 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1pwk s VAL 83 Cb 0.00 -2.98 0.18 0.00 0.00 0.00 0.00 36.38 33.57 1pwk s VAL 83 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 175.10 175.60 1pwk s ALA 84 N -2.66 -1.80 -0.14 5.51 0.00 0.45 -0.51 121.76 122.60 1pwk s ALA 84 Ca 0.57 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 53.32 1pwk s ALA 84 Cb -0.10 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1pwk s ALA 84 CO 0.37 -1.62 0.30 0.42 0.00 0.00 0.00 175.76 175.23 1pwk s ILE 85 N 2.70 5.29 0.42 0.00 1.01 0.50 -1.90 121.20 129.22 1pwk s ILE 85 Ca 0.12 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.41 1pwk s ILE 85 Cb -0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1pwk s ILE 85 CO -0.25 0.42 0.24 -0.76 0.00 0.00 0.00 174.94 174.59 1pwk s LEU 86 N 0.24 3.20 -0.30 2.97 1.02 0.86 -0.78 118.68 125.89 1pwk s LEU 86 Ca 0.17 -0.98 -0.12 0.00 0.02 0.00 0.00 54.13 53.22 1pwk s LEU 86 Cb -0.13 -1.62 0.18 0.00 0.02 0.00 0.00 46.19 44.63 1pwk s LEU 86 CO 0.05 -0.58 0.98 -0.22 0.02 0.00 0.00 176.35 176.60 1pwk s LEU 87 N -3.97 -0.60 0.06 1.79 0.20 0.15 -1.27 118.68 115.04 1pwk s LEU 87 Ca 0.43 0.51 -0.15 0.00 0.69 0.00 0.00 54.13 55.62 1pwk s LEU 87 Cb 0.02 1.56 0.03 0.00 -0.43 0.00 0.00 46.19 47.36 1pwk s LEU 87 CO 0.24 -0.11 0.34 0.72 -0.29 0.00 0.00 176.35 177.25 1pwk s PHE 88 N 2.76 -0.15 -0.17 5.38 -0.12 -1.26 0.36 117.98 124.79 1pwk s PHE 88 Ca 0.01 -0.02 -0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1pwk s PHE 88 Cb -0.09 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1pwk s PHE 88 CO -0.14 -0.56 -0.06 0.21 -0.05 0.00 0.00 175.22 174.61 1pwk s LYS 89 N -2.89 1.49 -0.23 1.99 2.36 -1.25 0.94 119.74 122.15 1pwk s LYS 89 Ca -0.03 -0.55 0.06 0.00 -2.55 0.00 0.00 55.97 52.91 1pwk s LYS 89 Cb 0.00 -2.04 0.51 0.00 -1.05 0.00 0.00 37.83 35.25 1pwk s LYS 89 CO -0.05 -0.43 1.48 0.43 1.55 0.00 0.00 175.35 178.32 1pwk n SER 90 N 4.86 3.88 0.00 1.43 7.64 -1.26 -4.37 113.62 125.80 1pwk n SER 90 Ca -0.12 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1pwk n SER 90 Cb 0.48 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64