#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 -4.82 -2.61 6.12 7.64 -1.26 -4.90 113.62 113.79 1pwk n SER 2 Ca 0.00 -0.44 -0.26 0.00 1.01 0.00 0.00 58.87 59.18 1pwk n SER 2 Cb 0.00 -3.42 -0.08 0.00 -1.01 0.00 0.00 64.21 59.70 1pwk n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pwk n ASP 3 N -2.56 6.64 0.00 6.43 8.00 -1.26 -4.18 116.55 129.61 1pwk n ASP 3 Ca -0.05 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.55 1pwk n ASP 3 Cb 0.57 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 1.81 0.00 0.00 -1.24 1.85 -1.26 -4.93 116.66 112.90 1pwk n ARG 4 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 1pwk n ARG 4 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1pwk n ARG 4 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1pwk n LYS 5 N 0.00 0.00 -2.15 2.89 5.02 -1.26 -4.80 118.16 117.86 1pwk n LYS 5 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1pwk n LYS 5 Cb 0.00 -0.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 1pwk n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwk n ALA 6 N -3.00 -1.31 -2.76 7.82 0.00 -1.24 -4.63 120.51 115.39 1pwk n ALA 6 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1pwk n ALA 6 Cb 0.00 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.08 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 -3.13 0.11 0.71 0.00 1.01 0.08 -4.84 120.40 114.35 1pwk s VAL 7 Ca 0.15 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1pwk s VAL 7 Cb -0.02 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1pwk s VAL 7 CO 0.28 -0.51 1.07 -0.63 0.00 0.00 0.00 175.10 175.31 1pwk s ILE 8 N -3.50 3.72 0.00 2.22 -1.09 -1.26 -0.45 121.20 120.84 1pwk s ILE 8 Ca 0.02 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1pwk s ILE 8 Cb 0.03 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1pwk s ILE 8 CO -0.09 -0.70 0.00 1.17 -1.23 0.00 0.00 174.94 174.09 1pwk n LYS 9 N -3.13 0.00 -3.87 2.79 3.00 -0.85 -4.74 118.16 111.37 1pwk n LYS 9 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.28 1pwk n LYS 9 Cb 0.53 -0.05 -0.11 0.00 0.00 0.00 0.00 35.03 35.39 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1pwk s ASN 10 N -1.64 0.00 -0.05 3.14 3.84 -1.01 -5.03 114.94 114.20 1pwk s ASN 10 Ca 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 52.86 52.98 1pwk s ASN 10 Cb 0.00 0.20 0.03 0.00 -0.55 0.00 0.00 41.25 40.94 1pwk s ASN 10 CO 0.00 -0.22 0.10 0.00 -2.79 0.00 0.00 177.10 174.19 1pwk s ALA 11 N -0.81 -0.14 -0.42 1.71 0.00 -1.26 -1.45 121.76 119.39 1pwk s ALA 11 Ca -0.09 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.46 1pwk s ALA 11 Cb -0.05 -0.38 0.43 0.00 0.00 0.00 0.00 23.12 23.12 1pwk s ALA 11 CO 0.01 -0.14 1.13 -0.25 0.00 0.00 0.00 175.76 176.51 1pwk n ASP 12 N 4.17 4.77 -3.85 0.00 9.92 0.17 -5.02 116.55 126.71 1pwk n ASP 12 Ca -0.27 -3.73 -0.24 0.00 -0.53 0.00 0.00 54.79 50.03 1pwk n ASP 12 Cb 0.51 -0.45 -0.08 0.00 -0.64 0.00 0.00 41.12 40.47 1pwk n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pwk s MET 13 N -3.55 1.88 0.13 -1.24 0.23 -1.26 -3.90 119.30 111.59 1pwk s MET 13 Ca 0.49 -2.13 -0.27 0.00 -1.03 0.00 0.00 55.69 52.75 1pwk s MET 13 Cb 0.40 -0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 1pwk s MET 13 CO -0.15 -0.55 1.61 0.66 -2.03 0.00 0.00 175.02 174.55 1pwk h SER 14 N 1.90 -1.04 0.00 -1.18 4.64 -1.99 -3.47 113.55 112.40 1pwk h SER 14 Ca -0.31 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1pwk h SER 14 Cb 1.26 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1pwk h SER 14 CO 0.49 -0.38 0.00 -1.84 -0.87 0.00 0.00 176.83 174.23 1pwk n GLU 15 N -5.42 0.00 0.12 4.77 0.28 -1.26 -4.94 120.64 114.19 1pwk n GLU 15 Ca -0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.06 1pwk n GLU 15 Cb 0.33 0.00 0.46 0.00 1.43 0.00 0.00 31.44 33.67 1pwk n GLU 15 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1pwk n ASP 16 N 0.00 0.51 -0.04 -1.84 2.03 -1.26 -1.29 116.55 114.66 1pwk n ASP 16 Ca 0.00 0.67 -0.22 0.00 0.52 0.00 0.00 54.79 55.76 1pwk n ASP 16 Cb 0.00 -0.76 -0.13 0.00 -0.72 0.00 0.00 41.12 39.51 1pwk n ASP 16 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1pwk n MET 17 N -2.11 0.68 0.26 -0.67 2.81 -1.26 -1.09 117.12 115.74 1pwk n MET 17 Ca 0.01 0.39 0.18 0.00 -1.81 0.00 0.00 57.70 56.46 1pwk n MET 17 Cb 0.14 -1.72 0.81 0.00 -0.71 0.00 0.00 33.22 31.75 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 -0.38 0.00 0.00 0.03 3.07 -1.87 1.59 115.11 117.54 1pwk h GLN 18 Ca -0.41 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.25 1pwk h GLN 18 Cb 1.73 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.28 1pwk h GLN 18 CO -0.05 0.00 -0.51 0.37 0.09 0.00 0.00 178.83 178.73 1pwk h GLN 19 N 0.00 0.00 0.00 0.06 -0.00 -1.27 -2.45 115.11 111.46 1pwk h GLN 19 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pwk h GLN 19 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 1pwk h GLN 19 CO 0.00 0.85 -0.02 0.22 0.00 0.00 0.00 178.83 179.89 1pwk h ASP 20 N -1.00 0.00 0.03 -0.69 1.82 -0.60 -0.68 116.42 115.30 1pwk h ASP 20 Ca -0.13 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1pwk h ASP 20 Cb 1.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1pwk h ASP 20 CO -0.08 0.02 -0.01 0.00 -1.61 0.00 0.00 179.24 177.55 1pwk h ALA 21 N 1.98 -0.04 0.00 -0.78 0.00 0.22 0.92 119.26 121.57 1pwk h ALA 21 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1pwk h ALA 21 Cb 0.41 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pwk h ALA 21 CO 0.00 -0.13 -0.12 0.28 0.00 0.00 0.00 179.25 179.28 1pwk h VAL 22 N -0.82 1.03 0.19 0.00 2.07 -1.16 0.34 116.25 117.90 1pwk h VAL 22 Ca -0.00 -0.43 -0.34 0.00 0.82 0.00 0.00 66.70 66.75 1pwk h VAL 22 Cb 0.72 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1pwk h VAL 22 CO 0.01 0.12 -1.62 0.44 0.02 0.00 0.00 177.57 176.53 1pwk h ASP 23 N 0.00 0.61 0.64 0.57 3.32 -1.12 -1.63 116.42 118.80 1pwk h ASP 23 Ca -0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1pwk h ASP 23 Cb 0.22 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1pwk h ASP 23 CO 0.02 1.68 0.00 0.00 -1.72 0.00 0.00 179.24 179.21 1pwk h ALA 25 N 2.13 0.34 -0.26 0.00 0.00 -0.29 -1.26 119.26 119.92 1pwk h ALA 25 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 54.91 53.51 1pwk h ALA 25 Cb 0.32 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pwk h ALA 25 CO 0.00 1.21 -0.31 1.15 0.00 0.00 0.00 179.25 181.30 1pwk h THR 26 N 0.08 1.31 -0.25 0.00 2.02 -0.60 -0.75 112.91 114.71 1pwk h THR 26 Ca -0.37 -1.49 -0.18 0.00 0.77 0.00 0.00 66.41 65.14 1pwk h THR 26 Cb 2.06 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1pwk h THR 26 CO 0.13 0.47 -0.56 1.56 0.37 0.00 0.00 175.52 177.49 1pwk h GLN 27 N 0.40 0.78 -0.06 6.66 4.20 -0.42 -1.28 115.11 125.39 1pwk h GLN 27 Ca 0.04 -0.50 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 1pwk h GLN 27 Cb 0.89 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1pwk h GLN 27 CO 0.07 1.12 -0.06 0.00 -0.67 0.00 0.00 178.83 179.30 1pwk h ALA 28 N 0.77 1.79 0.00 3.87 0.00 -1.13 1.07 119.26 125.62 1pwk h ALA 28 Ca 0.01 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 1pwk h ALA 28 Cb 1.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1pwk h ALA 28 CO 0.12 0.16 -0.95 1.98 0.00 0.00 0.00 179.25 180.55 1pwk h MET 29 N 0.09 0.00 0.22 0.00 1.85 -0.79 0.61 114.93 116.90 1pwk h MET 29 Ca 0.02 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.78 1pwk h MET 29 Cb 0.16 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.22 1pwk h MET 29 CO 0.01 0.95 -1.54 0.93 -0.40 0.00 0.00 176.91 176.86 1pwk h GLU 30 N 0.00 0.46 0.01 0.39 4.39 -0.07 -3.34 114.58 116.42 1pwk h GLU 30 Ca -0.01 -0.78 -0.22 0.00 0.34 0.00 0.00 59.36 58.68 1pwk h GLU 30 Cb 1.70 0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 30.62 1pwk h GLU 30 CO 0.12 1.37 -1.10 -0.22 -1.16 0.00 0.00 179.01 178.03 1pwk h LYS 31 N 0.07 0.02 -4.53 2.33 3.64 0.10 -3.45 116.57 114.76 1pwk h LYS 31 Ca -0.29 -0.04 -0.45 0.00 -1.27 0.00 0.00 60.65 58.60 1pwk h LYS 31 Cb 2.09 0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 33.60 1pwk h LYS 31 CO 0.22 0.97 -0.79 0.71 -2.27 0.00 0.00 179.45 178.28 1pwk s TYR 32 N -2.69 1.07 -0.94 1.91 1.51 0.21 -5.02 117.35 113.41 1pwk s TYR 32 Ca -0.00 -0.31 0.11 0.00 -1.01 0.00 0.00 57.07 55.86 1pwk s TYR 32 Cb 0.10 -0.79 0.33 0.00 -0.11 0.00 0.00 41.96 41.49 1pwk s TYR 32 CO 0.83 -0.16 1.27 0.09 -1.11 0.00 0.00 175.55 176.48 1pwk n ASN 33 N 3.52 3.02 -1.62 2.29 5.03 -1.26 -3.28 115.26 122.96 1pwk n ASN 33 Ca -0.20 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.20 1pwk n ASN 33 Cb 0.53 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 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 0.52 0.00 0.00 2.41 5.41 -1.26 -5.06 119.36 121.38 1pwk n ILE 34 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1pwk n ILE 34 Cb 0.46 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 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 -0.17 2.88 0.07 0.38 0.00 -1.26 -4.44 120.64 118.10 1pwk n GLU 35 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 1pwk n GLU 35 Cb 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 31.44 30.60 1pwk n GLU 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pwk n LYS 36 N -1.59 0.46 0.00 3.44 5.02 -1.26 -3.31 118.16 120.92 1pwk n LYS 36 Ca 0.00 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1pwk n LYS 36 Cb 0.34 -1.73 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.36 0.81 -0.04 4.39 9.92 -1.26 -1.35 116.55 126.66 1pwk n ASP 37 Ca 0.01 0.37 -0.10 0.00 -0.53 0.00 0.00 54.79 54.54 1pwk n ASP 37 Cb 0.50 0.13 0.05 0.00 -0.64 0.00 0.00 41.12 41.16 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 1.30 0.00 0.53 1.08 -1.78 1.42 117.51 120.06 1pwk h ILE 38 Ca -0.23 -1.65 -0.16 0.00 -0.39 0.00 0.00 64.86 62.43 1pwk h ILE 38 Cb 1.80 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 37.11 1pwk h ILE 38 CO 0.06 0.53 -0.90 0.00 -0.69 0.00 0.00 178.15 177.14 1pwk h ALA 39 N 0.95 0.59 0.00 1.87 0.00 -1.65 -1.84 119.26 119.18 1pwk h ALA 39 Ca 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1pwk h ALA 39 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1pwk h ALA 39 CO 0.09 0.92 -0.76 0.00 0.00 0.00 0.00 179.25 179.51 1pwk h ALA 40 N 1.32 0.67 0.00 0.00 0.00 -0.97 -1.28 119.26 118.99 1pwk h ALA 40 Ca -0.06 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.42 1pwk h ALA 40 Cb 1.57 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 1pwk h ALA 40 CO 0.08 0.18 -1.59 -0.92 0.00 0.00 0.00 179.25 177.00 1pwk h TYR 41 N 0.00 0.00 0.02 0.00 3.20 0.19 -1.57 116.97 118.82 1pwk h TYR 41 Ca -0.02 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.58 1pwk h TYR 41 Cb 1.12 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1pwk h TYR 41 CO 0.00 1.00 -1.46 0.82 -1.64 0.00 0.00 178.16 176.88 1pwk h ILE 42 N 0.00 1.17 0.08 1.81 2.04 -1.42 -0.78 117.51 120.40 1pwk h ILE 42 Ca -0.24 -2.94 -0.27 0.00 1.00 0.00 0.00 64.86 62.41 1pwk h ILE 42 Cb 1.97 2.61 0.02 0.00 -0.74 0.00 0.00 36.82 40.68 1pwk h ILE 42 CO 0.09 0.71 -1.14 0.50 0.00 0.00 0.00 178.15 178.31 1pwk h LYS 43 N 0.01 0.49 0.00 2.37 3.64 -1.35 -1.86 116.57 119.88 1pwk h LYS 43 Ca -0.19 -0.63 -0.18 0.00 -1.27 0.00 0.00 60.65 58.37 1pwk h LYS 43 Cb 1.94 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.94 1pwk h LYS 43 CO 0.11 1.26 -0.84 -0.22 -2.27 0.00 0.00 179.45 177.49 1pwk h LYS 44 N 0.23 0.04 -0.03 1.90 3.64 -1.38 -1.84 116.57 119.13 1pwk h LYS 44 Ca -0.14 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.02 1pwk h LYS 44 Cb 1.80 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1pwk h LYS 44 CO 0.21 0.85 -0.78 1.49 -2.27 0.00 0.00 179.45 178.95 1pwk h GLU 45 N 0.02 0.24 0.00 1.90 4.57 -1.12 -2.40 114.58 117.79 1pwk h GLU 45 Ca -0.02 -0.22 -0.16 0.00 -1.18 0.00 0.00 59.36 57.79 1pwk h GLU 45 Cb 1.48 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.09 1pwk h GLU 45 CO 0.11 0.90 -1.40 1.19 -1.18 0.00 0.00 179.01 178.64 1pwk n PHE 46 N -3.75 0.98 0.05 0.92 3.72 -0.70 -3.21 117.46 115.47 1pwk n PHE 46 Ca -0.03 0.32 -0.19 0.00 -0.05 0.00 0.00 57.45 57.50 1pwk n PHE 46 Cb 0.74 -1.08 -0.14 0.00 -0.94 0.00 0.00 39.48 38.05 1pwk n PHE 46 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1pwk h ASP 47 N 0.00 0.44 0.09 4.37 2.03 -1.41 -3.15 116.42 118.79 1pwk h ASP 47 Ca -0.15 -0.70 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 1pwk h ASP 47 Cb 1.55 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 1pwk h ASP 47 CO 0.04 1.59 -0.12 0.29 -1.03 0.00 0.00 179.24 180.01 1pwk n LYS 48 N -3.47 1.33 -0.92 4.15 5.02 -0.90 -1.60 118.16 121.76 1pwk n LYS 48 Ca -0.22 -0.80 0.04 0.00 -2.02 0.00 0.00 58.31 55.31 1pwk n LYS 48 Cb 1.06 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 34.64 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pwk n LYS 49 N -0.14 0.40 0.00 1.97 4.01 -1.20 -4.87 118.16 118.33 1pwk n LYS 49 Ca 0.16 -2.00 0.00 0.00 -0.51 0.00 0.00 58.31 55.96 1pwk n LYS 49 Cb 0.36 -0.56 0.00 0.00 -0.51 0.00 0.00 35.03 34.32 1pwk n LYS 49 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1pwk n TYR 50 N -0.11 -0.85 0.00 2.13 9.36 -1.19 -4.94 117.16 121.56 1pwk n TYR 50 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1pwk n TYR 50 Cb 0.90 0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.79 1pwk n TYR 50 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1pwk n ASN 51 N -1.87 0.00 -4.75 2.98 2.04 -1.19 -5.05 115.26 107.41 1pwk n ASN 51 Ca 0.00 0.00 -0.41 0.00 -0.44 0.00 0.00 54.58 53.73 1pwk n ASN 51 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1pwk s PRO 52 N -0.62 4.39 0.03 -0.53 0.04 -0.63 -4.46 135.00 133.23 1pwk s PRO 52 Ca 0.00 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1pwk s PRO 52 Cb 0.00 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1pwk s PRO 52 CO 0.00 -0.20 0.02 0.99 0.04 0.00 0.00 177.00 177.85 1pwk s THR 53 N -0.40 0.13 0.26 1.26 2.01 -1.26 -4.85 115.64 112.78 1pwk s THR 53 Ca 0.53 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1pwk s THR 53 Cb -0.37 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1pwk s THR 53 CO 0.43 -0.60 0.39 0.26 -0.69 0.00 0.00 174.62 174.41 1pwk s TRP 54 N -2.15 3.46 -0.50 4.92 0.52 -1.26 -4.18 118.94 119.75 1pwk s TRP 54 Ca -0.09 0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.13 1pwk s TRP 54 Cb -0.05 -1.62 0.34 0.00 -1.15 0.00 0.00 33.47 31.00 1pwk s TRP 54 CO -0.03 0.39 0.86 0.72 0.02 0.00 0.00 176.95 178.92 1pwk n HIS 55 N -1.46 2.63 -2.70 -1.98 8.25 0.34 -4.91 115.22 115.39 1pwk n HIS 55 Ca -0.08 -3.93 -0.42 0.00 -0.26 0.00 0.00 57.72 53.02 1pwk n HIS 55 Cb 0.57 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1pwk n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pwk s ILE 57 N 1.62 1.48 0.02 0.00 1.01 0.76 -4.76 121.20 121.33 1pwk s ILE 57 Ca 0.50 -2.12 0.04 0.00 0.00 0.00 0.00 60.65 59.07 1pwk s ILE 57 Cb -0.19 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1pwk s ILE 57 CO 0.22 -0.40 -0.13 0.54 0.00 0.00 0.00 174.94 175.17 1pwk s VAL 58 N -3.12 1.02 0.00 2.92 0.11 -1.26 -0.10 120.40 119.97 1pwk s VAL 58 Ca 0.27 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1pwk s VAL 58 Cb 0.03 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1pwk s VAL 58 CO 0.09 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 1pwk n GLY 59 N 2.23 2.90 2.46 6.54 0.00 0.33 -4.96 105.19 114.70 1pwk n GLY 59 Ca -0.17 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1pwk n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pwk n ARG 60 N 0.00 1.80 -4.30 1.61 0.63 -1.26 -0.07 116.66 115.07 1pwk n ARG 60 Ca 0.00 -4.20 -0.36 0.00 -0.92 0.00 0.00 57.85 52.37 1pwk n ARG 60 Cb 0.00 -1.99 -0.05 0.00 0.45 0.00 0.00 32.46 30.87 1pwk n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1pwk n SER 61 N 1.36 -1.83 -0.51 6.15 3.41 -1.25 -4.81 113.62 116.15 1pwk n SER 61 Ca 0.26 -1.12 0.04 0.00 -0.26 0.00 0.00 58.87 57.78 1pwk n SER 61 Cb 0.43 -2.28 0.11 0.00 -0.26 0.00 0.00 64.21 62.20 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 -1.56 0.39 3.06 5.00 0.00 -1.26 -4.92 105.19 105.90 1pwk n GLY 62 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 0.19 -6.99 -3.47 1.61 4.05 -1.26 -5.01 115.26 104.38 1pwk n ASN 63 Ca 0.08 -0.34 -0.28 0.00 0.45 0.00 0.00 54.58 54.49 1pwk n ASN 63 Cb 0.25 -5.03 -0.11 0.00 1.23 0.00 0.00 39.78 36.13 1pwk n ASN 63 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1pwk s PHE 64 N -3.17 1.34 0.00 1.20 -0.71 -1.26 -4.85 117.98 110.54 1pwk s PHE 64 Ca 0.20 -2.34 0.00 0.00 -1.04 0.00 0.00 56.93 53.75 1pwk s PHE 64 Cb -0.03 -1.15 0.00 0.00 -1.21 0.00 0.00 43.02 40.63 1pwk s PHE 64 CO 0.70 -0.80 0.00 0.41 -1.34 0.00 0.00 175.22 174.20 1pwk n GLY 65 N 2.95 0.01 1.96 1.99 0.00 -1.26 -4.84 105.19 105.99 1pwk n GLY 65 Ca 0.25 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.17 4.30 0.00 1.61 7.64 -1.26 -4.15 113.62 121.59 1pwk n SER 66 Ca 0.00 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1pwk n SER 66 Cb 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1pwk n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwk n TYR 67 N -0.64 0.00 1.13 1.43 4.19 -1.26 -4.82 117.16 117.19 1pwk n TYR 67 Ca 0.45 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.77 1pwk n TYR 67 Cb 1.22 0.00 0.58 0.00 0.49 0.00 0.00 39.34 41.63 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1pwk n VAL 68 N -1.28 0.23 -0.02 2.97 0.31 -1.26 -3.70 118.33 115.59 1pwk n VAL 68 Ca 0.00 0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1pwk n VAL 68 Cb 0.00 -0.70 -0.04 0.00 -0.91 0.00 0.00 33.84 32.19 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 0.28 -0.56 2.52 2.02 -1.88 -3.45 112.91 111.84 1pwk h THR 69 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1pwk h THR 69 Cb 0.14 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1pwk h THR 69 CO 0.00 0.00 -0.09 1.41 0.37 0.00 0.00 175.52 177.21 1pwk n HIS 70 N -5.41 -0.17 -1.70 3.16 8.25 -1.24 0.04 115.22 118.15 1pwk n HIS 70 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1pwk n HIS 70 Cb 0.33 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 29.65 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 -0.36 0.00 -0.21 -0.41 1.02 -1.26 -4.96 120.64 114.46 1pwk n GLU 71 Ca -0.05 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.35 1pwk n GLU 71 Cb 0.33 -1.73 0.66 0.00 -0.02 0.00 0.00 31.44 30.68 1pwk n GLU 71 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pwk h THR 72 N 0.00 0.58 0.00 2.62 2.02 -0.72 -3.45 112.91 113.96 1pwk h THR 72 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1pwk h THR 72 Cb 0.69 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1pwk h THR 72 CO 0.00 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.20 1pwk n LYS 73 N -4.35 0.00 -3.70 6.66 4.76 -1.26 -4.43 118.16 115.83 1pwk n LYS 73 Ca 0.19 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.51 1pwk n LYS 73 Cb 0.90 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.96 1pwk n LYS 73 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1pwk s HIS 74 N -1.41 -0.36 0.01 2.13 3.76 -1.26 -4.96 115.29 113.20 1pwk s HIS 74 Ca 0.00 0.85 -0.28 0.00 -0.15 0.00 0.00 55.06 55.48 1pwk s HIS 74 Cb 0.00 0.02 0.10 0.00 1.11 0.00 0.00 32.58 33.81 1pwk s HIS 74 CO 0.00 -0.28 0.86 -0.59 -0.85 0.00 0.00 174.74 173.89 1pwk s PHE 75 N 1.66 -0.36 0.10 1.40 -0.12 -1.25 -3.10 117.98 116.30 1pwk s PHE 75 Ca -0.06 0.22 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 1pwk s PHE 75 Cb -0.11 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1pwk s PHE 75 CO -0.09 -0.57 -0.07 -1.50 -0.05 0.00 0.00 175.22 172.94 1pwk s ILE 76 N -3.18 0.74 -0.24 -4.49 1.10 0.11 -0.65 121.20 114.59 1pwk s ILE 76 Ca 0.05 -1.86 -0.26 0.00 -0.51 0.00 0.00 60.65 58.07 1pwk s ILE 76 Cb -0.01 -1.60 0.07 0.00 0.15 0.00 0.00 42.46 41.07 1pwk s ILE 76 CO -0.09 -0.80 0.72 -0.47 -2.11 0.00 0.00 174.94 172.18 1pwk s TYR 77 N -3.35 -0.77 0.09 3.50 6.14 -0.53 -1.23 117.35 121.20 1pwk s TYR 77 Ca 0.10 1.83 -0.25 0.00 0.64 0.00 0.00 57.07 59.39 1pwk s TYR 77 Cb 0.03 0.29 0.07 0.00 0.42 0.00 0.00 41.96 42.77 1pwk s TYR 77 CO -0.04 -0.41 0.61 -0.59 0.64 0.00 0.00 175.55 175.77 1pwk s PHE 78 N 0.18 -0.56 -0.14 4.97 -0.12 -0.60 -2.00 117.98 119.71 1pwk s PHE 78 Ca -0.01 0.57 -0.08 0.00 -0.05 0.00 0.00 56.93 57.35 1pwk s PHE 78 Cb -0.04 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1pwk s PHE 78 CO 0.02 -0.76 0.15 0.71 -0.05 0.00 0.00 175.22 175.29 1pwk s TYR 79 N -2.91 3.54 -0.71 3.49 2.02 0.41 -1.77 117.35 121.41 1pwk s TYR 79 Ca -0.03 0.48 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 1pwk s TYR 79 Cb -0.01 -2.03 0.23 0.00 -0.40 0.00 0.00 41.96 39.75 1pwk s TYR 79 CO -0.05 0.58 0.73 -0.11 -1.57 0.00 0.00 175.55 175.12 1pwk n LEU 80 N 2.53 3.77 -3.40 -1.29 7.94 0.10 -0.74 117.00 125.90 1pwk n LEU 80 Ca -0.18 -5.34 -0.28 0.00 -1.11 0.00 0.00 56.01 49.10 1pwk n LEU 80 Cb 0.54 -0.77 0.02 0.00 0.53 0.00 0.00 43.42 43.74 1pwk n LEU 80 CO 0.33 1.91 -0.16 0.61 -1.11 0.00 0.00 177.39 178.97 1pwk n GLY 81 N 1.32 -0.50 2.80 -3.96 0.00 -1.26 -2.14 105.19 101.45 1pwk n GLY 81 Ca 0.26 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.32 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 -0.78 0.00 -3.58 1.61 6.02 -1.26 -4.82 117.38 114.57 1pwk n GLN 82 Ca -0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.62 1pwk n GLN 82 Cb 0.63 -0.48 -0.03 0.00 1.02 0.00 0.00 30.24 31.38 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 -1.37 5.14 -0.15 5.09 1.01 -0.91 -3.78 120.40 125.43 1pwk s VAL 83 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1pwk s VAL 83 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1pwk s VAL 83 CO 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 175.10 174.79 1pwk s ALA 84 N -1.91 1.72 -0.04 5.51 0.00 0.90 0.02 121.76 127.96 1pwk s ALA 84 Ca 0.40 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1pwk s ALA 84 Cb -0.11 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1pwk s ALA 84 CO 0.29 -0.47 -0.21 0.42 0.00 0.00 0.00 175.76 175.78 1pwk s ILE 85 N 1.54 1.73 0.33 0.00 1.01 -0.73 0.12 121.20 125.21 1pwk s ILE 85 Ca 0.04 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1pwk s ILE 85 Cb -0.13 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.81 1pwk s ILE 85 CO -0.10 0.49 0.06 -1.48 0.00 0.00 0.00 174.94 173.91 1pwk s LEU 86 N -0.16 2.20 -0.28 2.97 2.34 0.86 -1.56 118.68 125.05 1pwk s LEU 86 Ca -0.01 -1.39 -0.22 0.00 0.06 0.00 0.00 54.13 52.56 1pwk s LEU 86 Cb -0.12 -0.39 0.11 0.00 -0.56 0.00 0.00 46.19 45.23 1pwk s LEU 86 CO 0.02 -0.62 0.91 -0.22 -1.06 0.00 0.00 176.35 175.38 1pwk s LEU 87 N -3.50 -0.59 -0.21 1.48 0.20 -0.37 -0.17 118.68 115.52 1pwk s LEU 87 Ca 0.36 1.07 -0.28 0.00 0.69 0.00 0.00 54.13 55.96 1pwk s LEU 87 Cb 0.08 2.05 0.13 0.00 -0.43 0.00 0.00 46.19 48.02 1pwk s LEU 87 CO 0.15 -0.18 1.04 0.72 -0.29 0.00 0.00 176.35 177.80 1pwk s PHE 88 N 0.63 -0.38 -0.25 5.38 -0.71 -1.25 0.08 117.98 121.48 1pwk s PHE 88 Ca -0.01 0.78 0.02 0.00 -1.04 0.00 0.00 56.93 56.67 1pwk s PHE 88 Cb -0.05 0.42 0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1pwk s PHE 88 CO -0.08 -0.28 -0.06 0.21 -1.34 0.00 0.00 175.22 173.67 1pwk s LYS 89 N -0.58 1.83 -0.15 1.99 2.36 -1.18 0.13 119.74 124.14 1pwk s LYS 89 Ca 0.01 -1.19 0.04 0.00 -2.55 0.00 0.00 55.97 52.28 1pwk s LYS 89 Cb -0.02 -2.73 0.34 0.00 -1.05 0.00 0.00 37.83 34.36 1pwk s LYS 89 CO -0.02 -0.62 1.23 -1.13 1.55 0.00 0.00 175.35 176.35 1pwk n SER 90 N 4.56 3.23 -0.05 1.43 3.41 -1.26 -4.55 113.62 120.39 1pwk n SER 90 Ca -0.12 -2.56 0.16 0.00 -0.26 0.00 0.00 58.87 56.09 1pwk n SER 90 Cb 0.43 -0.62 0.91 0.00 -0.26 0.00 0.00 64.21 64.67 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49