#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 -0.01 -0.24 7.83 1.04 -1.26 -5.06 113.70 116.00 1pwk s SER 2 Ca 0.00 -0.94 0.11 0.00 0.48 0.00 0.00 55.95 55.60 1pwk s SER 2 Cb 0.00 0.72 0.45 0.00 0.10 0.00 0.00 66.02 67.29 1pwk s SER 2 CO 0.00 -1.39 1.19 0.47 0.98 0.00 0.00 173.24 174.49 1pwk n ASP 3 N -0.82 3.17 -3.63 7.02 8.00 -1.26 -4.88 116.55 124.16 1pwk n ASP 3 Ca -0.04 -3.56 -0.33 0.00 0.71 0.00 0.00 54.79 51.57 1pwk n ASP 3 Cb 0.60 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pwk n ARG 4 N -0.78 3.33 0.00 -1.24 1.85 -1.26 -4.76 116.66 113.80 1pwk n ARG 4 Ca 0.29 -4.64 0.00 0.00 -1.00 0.00 0.00 57.85 52.50 1pwk n ARG 4 Cb 0.86 -2.36 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1pwk n ARG 4 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1pwk n LYS 5 N 0.97 0.00 -3.03 2.89 0.00 -1.26 -5.04 118.16 112.69 1pwk n LYS 5 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.56 1pwk n LYS 5 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 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 -1.75 -1.95 -2.65 3.14 0.00 -1.25 -4.86 120.51 111.18 1pwk n ALA 6 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1pwk n ALA 6 Cb 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.97 0.80 0.56 0.00 1.01 0.27 -4.96 120.40 117.12 1pwk s VAL 7 Ca 0.04 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1pwk s VAL 7 Cb -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1pwk s VAL 7 CO 0.08 0.22 1.33 -0.63 0.00 0.00 0.00 175.10 176.10 1pwk s ILE 8 N -0.26 2.15 -0.04 2.22 -1.09 -1.26 -1.13 121.20 121.79 1pwk s ILE 8 Ca 0.04 0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 58.52 1pwk s ILE 8 Cb -0.04 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1pwk s ILE 8 CO -0.00 -0.01 -0.08 1.17 -1.23 0.00 0.00 174.94 174.79 1pwk n LYS 9 N -1.18 0.12 -3.89 2.79 0.00 -1.23 -4.75 118.16 110.02 1pwk n LYS 9 Ca 0.11 0.05 -0.09 0.00 0.00 0.00 0.00 58.31 58.38 1pwk n LYS 9 Cb 0.46 -0.69 -0.05 0.00 0.00 0.00 0.00 35.03 34.75 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 -4.49 -0.14 -0.11 3.14 4.22 -1.26 -5.04 114.94 111.26 1pwk s ASN 10 Ca -0.06 -0.74 -0.30 0.00 -2.14 0.00 0.00 52.86 49.62 1pwk s ASN 10 Cb 0.01 0.57 0.10 0.00 1.28 0.00 0.00 41.25 43.20 1pwk s ASN 10 CO 0.10 -1.08 0.84 0.00 -2.04 0.00 0.00 177.10 174.92 1pwk s ALA 11 N -3.95 -1.85 -0.47 3.54 0.00 -1.26 -1.76 121.76 116.01 1pwk s ALA 11 Ca 0.16 1.48 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1pwk s ALA 11 Cb -0.00 -0.40 0.28 0.00 0.00 0.00 0.00 23.12 22.99 1pwk s ALA 11 CO 0.03 -0.34 0.95 -3.47 0.00 0.00 0.00 175.76 172.93 1pwk n ASP 12 N 0.89 -2.29 -3.08 0.00 -0.08 -0.37 -5.01 116.55 106.60 1pwk n ASP 12 Ca -0.15 -3.42 -0.17 0.00 -1.51 0.00 0.00 54.79 49.54 1pwk n ASP 12 Cb 0.57 1.59 -0.05 0.00 2.34 0.00 0.00 41.12 45.57 1pwk n ASP 12 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1pwk n MET 13 N 1.04 0.60 0.07 -0.67 1.56 -1.26 -3.19 117.12 115.27 1pwk n MET 13 Ca 0.09 -2.47 -0.14 0.00 -0.27 0.00 0.00 57.70 54.91 1pwk n MET 13 Cb 0.65 1.48 -0.08 0.00 2.15 0.00 0.00 33.22 37.42 1pwk n MET 13 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1pwk h SER 14 N 1.23 -1.43 0.00 6.12 4.64 -1.99 -3.48 113.55 118.64 1pwk h SER 14 Ca -0.22 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1pwk h SER 14 Cb 0.87 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1pwk h SER 14 CO 0.34 -0.49 0.00 -1.84 -0.87 0.00 0.00 176.83 173.97 1pwk n GLU 15 N -5.46 0.00 0.14 4.77 0.28 -1.26 -4.93 120.64 114.18 1pwk n GLU 15 Ca -0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.04 1pwk n GLU 15 Cb 0.39 0.00 0.50 0.00 1.43 0.00 0.00 31.44 33.76 1pwk n GLU 15 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pwk n ASP 16 N 0.00 0.52 -0.01 -1.84 9.92 -1.26 -1.63 116.55 122.25 1pwk n ASP 16 Ca 0.00 0.71 -0.21 0.00 -0.53 0.00 0.00 54.79 54.75 1pwk n ASP 16 Cb 0.00 -0.79 -0.14 0.00 -0.64 0.00 0.00 41.12 39.56 1pwk n ASP 16 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1pwk n MET 17 N -2.16 0.73 0.29 -1.24 2.81 -1.26 -1.91 117.12 114.38 1pwk n MET 17 Ca -0.00 0.30 0.19 0.00 -1.81 0.00 0.00 57.70 56.38 1pwk n MET 17 Cb 0.08 -1.71 0.91 0.00 -0.71 0.00 0.00 33.22 31.79 1pwk n MET 17 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 1pwk h GLN 18 N -0.07 0.00 0.01 0.03 3.07 -1.75 1.33 115.11 117.73 1pwk h GLN 18 Ca -0.42 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.22 1pwk h GLN 18 Cb 1.94 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.49 1pwk h GLN 18 CO 0.04 0.00 -0.54 1.96 0.09 0.00 0.00 178.83 180.38 1pwk h GLN 19 N 0.00 0.02 0.00 0.06 1.08 -1.38 -2.40 115.11 112.49 1pwk h GLN 19 Ca 0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1pwk h GLN 19 Cb 0.25 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1pwk h GLN 19 CO 0.00 1.02 -0.01 -0.44 -0.95 0.00 0.00 178.83 178.45 1pwk h ASP 20 N -0.94 0.00 0.01 1.46 3.32 -0.94 -1.71 116.42 117.62 1pwk h ASP 20 Ca -0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1pwk h ASP 20 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1pwk h ASP 20 CO -0.07 0.01 -0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1pwk h ALA 21 N 1.99 -0.01 0.00 3.45 0.00 0.16 0.29 119.26 125.14 1pwk h ALA 21 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1pwk h ALA 21 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pwk h ALA 21 CO 0.00 -0.13 -0.11 0.28 0.00 0.00 0.00 179.25 179.29 1pwk h VAL 22 N -0.77 1.00 0.10 0.00 2.07 -1.29 0.23 116.25 117.60 1pwk h VAL 22 Ca -0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1pwk h VAL 22 Cb 0.74 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1pwk h VAL 22 CO 0.00 0.11 -0.05 -0.78 0.02 0.00 0.00 177.57 176.87 1pwk h ASP 23 N 0.00 -0.12 0.00 0.57 3.58 -1.28 0.01 116.42 119.18 1pwk h ASP 23 Ca -0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1pwk h ASP 23 Cb 0.21 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1pwk h ASP 23 CO 0.01 0.47 0.21 0.00 -2.88 0.00 0.00 179.24 177.06 1pwk h ALA 25 N 1.56 0.32 -0.05 0.00 0.00 -0.46 -1.43 119.26 119.20 1pwk h ALA 25 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 54.91 53.65 1pwk h ALA 25 Cb 0.42 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1pwk h ALA 25 CO 0.00 1.19 -0.39 1.15 0.00 0.00 0.00 179.25 181.19 1pwk h THR 26 N 0.06 1.43 -0.06 0.00 2.02 0.20 -1.69 112.91 114.87 1pwk h THR 26 Ca -0.25 -1.83 -0.16 0.00 0.77 0.00 0.00 66.41 64.94 1pwk h THR 26 Cb 2.01 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 70.82 1pwk h THR 26 CO 0.15 0.53 -0.67 0.06 0.37 0.00 0.00 175.52 175.96 1pwk h GLN 27 N -0.14 0.25 -0.40 6.66 3.07 -0.42 -1.35 115.11 122.78 1pwk h GLN 27 Ca -0.03 -0.20 -0.09 0.00 0.09 0.00 0.00 58.65 58.42 1pwk h GLN 27 Cb 1.06 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.64 1pwk h GLN 27 CO 0.08 0.83 -0.11 0.00 0.09 0.00 0.00 178.83 179.72 1pwk h ALA 28 N 1.12 1.06 0.00 0.06 0.00 -1.28 0.80 119.26 121.02 1pwk h ALA 28 Ca -0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1pwk h ALA 28 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1pwk h ALA 28 CO 0.10 0.58 -0.53 0.00 0.00 0.00 0.00 179.25 179.40 1pwk h MET 29 N 0.65 0.00 0.19 0.00 -0.00 -1.14 0.94 114.93 115.56 1pwk h MET 29 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.50 1pwk h MET 29 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.18 1pwk h MET 29 CO 0.04 0.53 -1.47 0.93 -0.00 0.00 0.00 176.91 176.93 1pwk h GLU 30 N 0.00 0.40 0.01 -0.10 5.08 -0.77 -3.35 114.58 115.85 1pwk h GLU 30 Ca -0.01 -0.69 -0.24 0.00 -1.00 0.00 0.00 59.36 57.43 1pwk h GLU 30 Cb 1.26 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 1pwk h GLU 30 CO 0.07 1.33 -1.21 0.87 -1.00 0.00 0.00 179.01 179.06 1pwk h LYS 31 N -0.03 0.02 -4.54 2.33 1.57 0.58 -3.45 116.57 113.06 1pwk h LYS 31 Ca -0.28 -0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 57.98 1pwk h LYS 31 Cb 2.00 0.02 -0.33 0.00 0.08 0.00 0.00 32.23 33.99 1pwk h LYS 31 CO 0.18 0.89 -0.80 0.71 -0.57 0.00 0.00 179.45 179.86 1pwk s TYR 32 N -2.67 1.25 -0.92 -1.35 2.02 0.32 -5.01 117.35 110.99 1pwk s TYR 32 Ca -0.01 -0.41 0.13 0.00 -0.37 0.00 0.00 57.07 56.41 1pwk s TYR 32 Cb 0.09 -0.92 0.40 0.00 -0.40 0.00 0.00 41.96 41.13 1pwk s TYR 32 CO 0.83 -0.21 1.33 0.09 -1.57 0.00 0.00 175.55 176.02 1pwk n ASN 33 N 3.67 3.29 -1.77 2.29 5.03 -1.26 -3.31 115.26 123.21 1pwk n ASN 33 Ca -0.22 -2.19 0.00 0.00 0.87 0.00 0.00 54.58 53.04 1pwk n ASN 33 Cb 0.52 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 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 0.50 0.00 0.00 2.41 5.41 -1.26 -5.05 119.36 121.37 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 0.55 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 1pwk n ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pwk n GLU 35 N -0.68 5.09 -0.01 0.38 1.02 -1.26 -4.38 120.64 120.79 1pwk n GLU 35 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1pwk n GLU 35 Cb 0.00 -0.52 -0.16 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.93 0.63 0.01 3.49 5.02 -1.26 -3.80 118.16 121.32 1pwk n LYS 36 Ca 0.00 -0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.09 1pwk n LYS 36 Cb 0.00 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.23 0.83 0.06 4.39 9.92 -1.26 -1.59 116.55 126.67 1pwk n ASP 37 Ca -0.05 0.38 -0.08 0.00 -0.53 0.00 0.00 54.79 54.50 1pwk n ASP 37 Cb 0.56 0.13 0.06 0.00 -0.64 0.00 0.00 41.12 41.24 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 1.38 0.00 0.53 1.08 -1.76 1.18 117.51 119.91 1pwk h ILE 38 Ca -0.21 -2.04 -0.16 0.00 -0.39 0.00 0.00 64.86 62.06 1pwk h ILE 38 Cb 1.72 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 37.48 1pwk h ILE 38 CO 0.05 0.61 -0.94 0.00 -0.69 0.00 0.00 178.15 177.18 1pwk h ALA 39 N 1.04 0.60 0.00 1.87 0.00 -1.66 -1.77 119.26 119.33 1pwk h ALA 39 Ca -0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 54.03 1pwk h ALA 39 Cb 1.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1pwk h ALA 39 CO 0.11 0.94 -1.00 0.00 0.00 0.00 0.00 179.25 179.30 1pwk h ALA 40 N 1.31 0.65 0.01 0.00 0.00 -1.10 -1.07 119.26 119.07 1pwk h ALA 40 Ca -0.07 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 1pwk h ALA 40 Cb 1.58 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1pwk h ALA 40 CO 0.08 0.63 -1.36 -0.92 0.00 0.00 0.00 179.25 177.68 1pwk h TYR 41 N 0.00 0.04 0.00 0.00 3.20 0.14 -1.56 116.97 118.79 1pwk h TYR 41 Ca -0.08 -0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.53 1pwk h TYR 41 Cb 1.40 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.63 1pwk h TYR 41 CO 0.00 1.04 -1.38 0.82 -1.64 0.00 0.00 178.16 177.00 1pwk h ILE 42 N 0.01 0.97 0.03 1.81 2.04 -1.41 -0.64 117.51 120.31 1pwk h ILE 42 Ca -0.15 -2.67 -0.22 0.00 1.00 0.00 0.00 64.86 62.82 1pwk h ILE 42 Cb 1.90 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 40.39 1pwk h ILE 42 CO 0.11 0.55 -1.04 0.50 0.00 0.00 0.00 178.15 178.28 1pwk h LYS 43 N 0.00 0.08 0.00 2.37 3.64 -1.28 -2.13 116.57 119.25 1pwk h LYS 43 Ca -0.17 -0.12 -0.24 0.00 -1.27 0.00 0.00 60.65 58.84 1pwk h LYS 43 Cb 1.81 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.64 1pwk h LYS 43 CO 0.08 1.04 -1.29 1.57 -2.27 0.00 0.00 179.45 178.58 1pwk h LYS 44 N 0.02 0.00 -0.29 1.90 2.10 -1.36 -1.92 116.57 117.01 1pwk h LYS 44 Ca -0.04 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.48 1pwk h LYS 44 Cb 1.78 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.10 1pwk h LYS 44 CO 0.15 0.78 -0.36 0.93 -2.00 0.00 0.00 179.45 178.94 1pwk h GLU 45 N 0.00 0.66 0.00 0.07 5.08 -1.11 -1.80 114.58 117.48 1pwk h GLU 45 Ca -0.12 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1pwk h GLU 45 Cb 1.86 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1pwk h GLU 45 CO 0.11 0.92 -0.08 0.74 -1.00 0.00 0.00 179.01 179.70 1pwk h PHE 46 N 0.55 0.00 -0.90 4.33 -1.00 -1.46 -1.67 116.94 116.79 1pwk h PHE 46 Ca 0.05 0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.03 1pwk h PHE 46 Cb 0.87 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.37 1pwk h PHE 46 CO 0.04 0.80 0.59 0.22 -1.61 0.00 0.00 178.31 178.35 1pwk h ASP 47 N -1.00 0.42 0.70 2.17 1.82 -1.42 1.09 116.42 120.20 1pwk h ASP 47 Ca -0.02 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1pwk h ASP 47 Cb 0.80 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1pwk h ASP 47 CO -0.01 0.17 -0.76 1.17 -1.61 0.00 0.00 179.24 178.20 1pwk n LYS 48 N -4.52 0.28 -0.91 0.28 3.00 -0.68 -2.66 118.16 112.96 1pwk n LYS 48 Ca 0.19 0.05 0.05 0.00 -0.00 0.00 0.00 58.31 58.60 1pwk n LYS 48 Cb 0.68 -1.65 0.12 0.00 0.00 0.00 0.00 35.03 34.19 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pwk n LYS 49 N -2.03 0.89 0.00 1.64 5.02 0.54 -4.81 118.16 119.41 1pwk n LYS 49 Ca 0.03 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.66 1pwk n LYS 49 Cb 0.43 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.47 0.00 0.00 2.13 4.01 0.35 -4.88 117.16 118.30 1pwk n TYR 50 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1pwk n TYR 50 Cb 0.86 0.00 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 -1.16 0.00 -4.77 7.72 5.03 -1.04 -5.00 115.26 116.03 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 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 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 -4.74 4.18 0.03 3.52 0.04 -1.24 -4.46 135.00 132.33 1pwk s PRO 52 Ca 0.00 2.47 -0.08 0.00 0.04 0.00 0.00 61.00 63.42 1pwk s PRO 52 Cb 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1pwk s PRO 52 CO 0.00 -0.45 0.17 0.99 0.04 0.00 0.00 177.00 177.75 1pwk s THR 53 N -0.99 0.11 0.19 1.26 2.01 -1.26 -5.08 115.64 111.87 1pwk s THR 53 Ca 0.53 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.69 1pwk s THR 53 Cb -0.45 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1pwk s THR 53 CO 0.59 -0.49 0.12 0.26 -0.69 0.00 0.00 174.62 174.40 1pwk s TRP 54 N -2.37 3.07 -0.64 4.92 0.52 -1.26 -4.16 118.94 119.03 1pwk s TRP 54 Ca -0.07 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1pwk s TRP 54 Cb -0.02 -1.45 0.38 0.00 -1.15 0.00 0.00 33.47 31.22 1pwk s TRP 54 CO -0.03 0.52 1.45 0.72 0.02 0.00 0.00 176.95 179.63 1pwk n HIS 55 N -0.51 3.31 -2.27 -1.98 8.25 0.40 -4.90 115.22 117.52 1pwk n HIS 55 Ca -0.08 -2.93 -0.42 0.00 -0.26 0.00 0.00 57.72 54.03 1pwk n HIS 55 Cb 0.56 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 2.07 0.31 -0.00 0.00 1.01 0.12 -4.74 121.20 119.96 1pwk s ILE 57 Ca 0.62 -1.98 0.02 0.00 0.00 0.00 0.00 60.65 59.31 1pwk s ILE 57 Cb -0.31 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1pwk s ILE 57 CO 0.27 -0.18 -0.06 -0.69 0.00 0.00 0.00 174.94 174.27 1pwk s VAL 58 N -3.93 0.47 0.36 2.92 1.01 -1.26 -0.54 120.40 119.43 1pwk s VAL 58 Ca 0.33 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 1pwk s VAL 58 Cb 0.07 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 36.11 1pwk s VAL 58 CO 0.09 0.13 0.83 -0.83 0.00 0.00 0.00 175.10 175.32 1pwk s GLY 59 N -0.14 0.34 -0.84 4.51 0.00 -0.55 -5.00 107.32 105.64 1pwk s GLY 59 Ca 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.06 1pwk s GLY 59 CO -0.00 0.09 1.12 -2.13 0.00 0.00 0.00 173.10 172.18 1pwk n ARG 60 N -0.56 3.52 -4.05 2.90 0.63 -1.26 0.06 116.66 117.91 1pwk n ARG 60 Ca -0.08 -4.64 -0.30 0.00 -0.92 0.00 0.00 57.85 51.91 1pwk n ARG 60 Cb 0.60 -2.37 -0.02 0.00 0.45 0.00 0.00 32.46 31.12 1pwk n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pwk n SER 61 N 0.93 -1.83 0.29 6.15 2.88 -1.26 -4.89 113.62 115.89 1pwk n SER 61 Ca 0.29 -0.99 -0.11 0.00 -1.33 0.00 0.00 58.87 56.73 1pwk n SER 61 Cb 0.37 -3.02 -0.05 0.00 -0.75 0.00 0.00 64.21 60.75 1pwk n SER 61 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1pwk h GLY 62 N -1.74 -0.78 -5.00 0.46 0.00 -1.95 -3.45 103.07 90.61 1pwk h GLY 62 Ca -0.61 0.29 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1pwk h GLY 62 CO 0.69 -0.28 0.21 1.16 0.00 0.00 0.00 176.54 178.32 1pwk n ASN 63 N -4.36 -1.06 -1.97 0.19 2.04 -1.26 -5.03 115.26 103.81 1pwk n ASN 63 Ca -0.09 -1.58 -0.13 0.00 -0.44 0.00 0.00 54.58 52.34 1pwk n ASN 63 Cb 0.29 1.02 -0.07 0.00 -2.53 0.00 0.00 39.78 38.49 1pwk n ASN 63 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1pwk n PHE 64 N -0.19 0.59 -1.03 -2.53 3.72 -1.26 -3.55 117.46 113.21 1pwk n PHE 64 Ca -0.23 -1.55 0.00 0.00 -0.05 0.00 0.00 57.45 55.62 1pwk n PHE 64 Cb 0.67 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 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 1.57 -1.62 0.27 1.37 0.00 -1.26 -4.66 105.19 100.86 1pwk n GLY 65 Ca 0.32 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 1.82 -0.13 1.61 2.88 -1.23 -4.75 113.62 113.81 1pwk n SER 66 Ca 0.00 -2.99 -0.00 0.00 -1.33 0.00 0.00 58.87 54.55 1pwk n SER 66 Cb 0.42 -0.40 -0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.09 0.00 -0.01 0.66 4.11 -1.26 -5.00 117.16 114.58 1pwk n TYR 67 Ca 0.13 -0.01 0.01 0.00 -0.00 0.00 0.00 57.90 58.04 1pwk n TYR 67 Cb 0.68 0.18 0.33 0.00 -0.00 0.00 0.00 39.34 40.52 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1pwk h VAL 68 N 0.58 1.17 0.42 -3.48 2.07 -1.85 -3.18 116.25 111.99 1pwk h VAL 68 Ca -0.01 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1pwk h VAL 68 Cb 0.19 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1pwk h VAL 68 CO -0.01 0.22 -0.20 0.74 0.02 0.00 0.00 177.57 178.34 1pwk h THR 69 N 0.54 0.00 -1.41 2.57 2.02 -1.97 -3.45 112.91 111.22 1pwk h THR 69 Ca 0.13 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 67.11 1pwk h THR 69 Cb 0.20 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.56 1pwk h THR 69 CO -0.00 0.00 -0.13 1.57 0.37 0.00 0.00 175.52 177.33 1pwk n HIS 70 N -3.68 -0.54 -3.14 3.16 -0.00 -1.20 -0.16 115.22 109.65 1pwk n HIS 70 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.51 1pwk n HIS 70 Cb 0.22 -1.82 0.07 0.00 -0.00 0.00 0.00 29.99 28.46 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1pwk n GLU 71 N -1.27 -5.28 -0.09 1.57 1.02 -1.26 -4.92 120.64 110.40 1pwk n GLU 71 Ca -0.07 0.66 -0.22 0.00 -0.02 0.00 0.00 57.16 57.51 1pwk n GLU 71 Cb 0.25 -5.11 -0.12 0.00 -0.02 0.00 0.00 31.44 26.44 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 -3.57 1.56 0.00 2.62 5.66 0.77 -4.56 114.28 116.77 1pwk n THR 72 Ca -0.19 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1pwk n THR 72 Cb 0.62 -2.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.39 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 -4.34 0.00 -3.57 1.09 4.01 -1.26 -4.63 118.16 109.46 1pwk n LYS 73 Ca -0.32 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.26 1pwk n LYS 73 Cb 0.72 -0.64 -0.15 0.00 -0.51 0.00 0.00 35.03 34.45 1pwk n LYS 73 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1pwk s HIS 74 N -0.48 -0.06 0.16 2.13 3.76 -1.26 -4.92 115.29 114.62 1pwk s HIS 74 Ca 0.00 0.05 -0.09 0.00 -0.15 0.00 0.00 55.06 54.87 1pwk s HIS 74 Cb 0.00 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1pwk s HIS 74 CO 0.00 -0.51 0.28 -0.59 -0.85 0.00 0.00 174.74 173.07 1pwk s PHE 75 N 2.24 0.39 0.05 1.40 -0.71 -1.19 -3.34 117.98 116.81 1pwk s PHE 75 Ca 0.04 -0.75 -0.04 0.00 -1.04 0.00 0.00 56.93 55.14 1pwk s PHE 75 Cb -0.15 -0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1pwk s PHE 75 CO -0.10 -0.71 0.06 -1.50 -1.34 0.00 0.00 175.22 171.64 1pwk s ILE 76 N -3.96 0.16 0.07 -4.49 1.10 0.11 -1.24 121.20 112.94 1pwk s ILE 76 Ca 0.16 -1.28 -0.05 0.00 -0.51 0.00 0.00 60.65 58.98 1pwk s ILE 76 Cb 0.03 -1.06 -0.02 0.00 0.15 0.00 0.00 42.46 41.56 1pwk s ILE 76 CO -0.01 -0.70 0.08 -0.31 -2.11 0.00 0.00 174.94 171.88 1pwk s TYR 77 N -3.02 0.34 0.04 3.50 1.51 -0.72 -1.13 117.35 117.87 1pwk s TYR 77 Ca -0.01 -0.83 -0.09 0.00 -1.01 0.00 0.00 57.07 55.13 1pwk s TYR 77 Cb 0.01 -0.23 0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1pwk s TYR 77 CO -0.07 -0.46 0.18 -0.06 -1.11 0.00 0.00 175.55 174.04 1pwk s PHE 78 N -3.87 0.08 -0.03 2.71 0.08 0.12 -3.53 117.98 113.53 1pwk s PHE 78 Ca 0.06 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.82 1pwk s PHE 78 Cb 0.06 -0.05 0.01 0.00 -0.57 0.00 0.00 43.02 42.47 1pwk s PHE 78 CO -0.10 -0.42 -0.08 -0.47 -0.10 0.00 0.00 175.22 174.05 1pwk s TYR 79 N -2.58 0.90 -0.60 0.36 5.04 -0.29 0.14 117.35 120.32 1pwk s TYR 79 Ca -0.05 -0.24 0.05 0.00 -2.44 0.00 0.00 57.07 54.39 1pwk s TYR 79 Cb -0.01 -0.67 0.19 0.00 0.35 0.00 0.00 41.96 41.81 1pwk s TYR 79 CO -0.04 -0.12 0.50 1.28 -1.34 0.00 0.00 175.55 175.83 1pwk n LEU 80 N 3.47 2.09 0.00 6.97 4.32 0.72 0.97 117.00 135.53 1pwk n LEU 80 Ca -0.20 -5.01 0.00 0.00 -0.02 0.00 0.00 56.01 50.78 1pwk n LEU 80 Cb 0.54 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1pwk n LEU 80 CO 0.24 1.85 0.00 0.61 -1.22 0.00 0.00 177.39 178.88 1pwk n GLY 81 N 1.95 1.08 0.00 -0.72 0.00 -1.26 -2.03 105.19 104.21 1pwk n GLY 81 Ca 0.24 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 5.87 -3.92 1.61 6.02 -1.26 -5.03 117.38 120.68 1pwk n GLN 82 Ca 0.00 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 1pwk n GLN 82 Cb 0.00 -0.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.74 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 -0.85 5.36 -0.12 5.09 1.01 -0.86 -4.08 120.40 125.96 1pwk s VAL 83 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1pwk s VAL 83 Cb 0.00 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1pwk s VAL 83 CO 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 175.10 175.10 1pwk s ALA 84 N -1.59 1.33 -0.01 5.51 0.00 0.11 -0.20 121.76 126.92 1pwk s ALA 84 Ca 0.35 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1pwk s ALA 84 Cb -0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1pwk s ALA 84 CO 0.28 -0.48 0.05 0.42 0.00 0.00 0.00 175.76 176.03 1pwk s ILE 85 N 1.71 4.52 0.24 0.00 1.01 0.12 -1.48 121.20 127.31 1pwk s ILE 85 Ca 0.04 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1pwk s ILE 85 Cb -0.13 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1pwk s ILE 85 CO -0.08 0.38 -0.03 -1.48 0.00 0.00 0.00 174.94 173.73 1pwk s LEU 86 N -1.60 2.32 -0.29 2.97 2.34 0.30 0.12 118.68 124.84 1pwk s LEU 86 Ca 0.21 -1.19 -0.16 0.00 0.06 0.00 0.00 54.13 53.05 1pwk s LEU 86 Cb -0.12 -0.41 0.15 0.00 -0.56 0.00 0.00 46.19 45.26 1pwk s LEU 86 CO 0.12 -0.44 1.00 -0.22 -1.06 0.00 0.00 176.35 175.74 1pwk s LEU 87 N -3.34 -0.48 -0.22 1.48 0.20 -0.28 0.13 118.68 116.16 1pwk s LEU 87 Ca 0.28 0.76 -0.29 0.00 0.69 0.00 0.00 54.13 55.57 1pwk s LEU 87 Cb 0.05 1.68 0.15 0.00 -0.43 0.00 0.00 46.19 47.64 1pwk s LEU 87 CO 0.09 -0.12 1.14 0.72 -0.29 0.00 0.00 176.35 177.90 1pwk s PHE 88 N 1.46 -0.25 0.01 5.38 -0.71 -1.26 0.09 117.98 122.70 1pwk s PHE 88 Ca -0.08 0.46 -0.19 0.00 -1.04 0.00 0.00 56.93 56.08 1pwk s PHE 88 Cb -0.04 0.46 -0.06 0.00 -1.21 0.00 0.00 43.02 42.17 1pwk s PHE 88 CO -0.15 -0.22 0.56 0.15 -1.34 0.00 0.00 175.22 174.22 1pwk s LYS 89 N -0.90 4.24 -0.17 1.99 -0.14 -1.21 -0.45 119.74 123.10 1pwk s LYS 89 Ca 0.03 0.68 0.06 0.00 -1.36 0.00 0.00 55.97 55.38 1pwk s LYS 89 Cb -0.01 -3.30 0.45 0.00 -1.68 0.00 0.00 37.83 33.28 1pwk s LYS 89 CO -0.03 0.47 1.30 0.43 -0.76 0.00 0.00 175.35 176.76 1pwk n SER 90 N 2.38 3.64 -0.07 2.83 7.64 -1.26 -4.32 113.62 124.45 1pwk n SER 90 Ca -0.09 -2.63 0.01 0.00 1.01 0.00 0.00 58.87 57.17 1pwk n SER 90 Cb 0.51 -0.63 0.01 0.00 -1.01 0.00 0.00 64.21 63.09 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64