#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk s ASN 9 N 0.00 0.75 -0.05 0.55 0.01 -1.26 -5.15 114.94 109.78 2wrk s ASN 9 Ca 0.00 -1.16 -0.01 0.00 -0.71 0.00 0.00 52.86 50.98 2wrk s ASN 9 Cb 0.00 0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.89 2wrk s ASN 9 CO 0.00 -0.64 0.02 -0.22 -1.51 0.00 0.00 177.10 174.75 2wrk s LEU 10 N -3.09 0.59 -0.60 0.60 2.96 -1.26 -5.05 118.68 112.83 2wrk s LEU 10 Ca 0.22 -0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 2wrk s LEU 10 Cb 0.07 -0.32 -0.13 0.00 0.50 0.00 0.00 46.19 46.31 2wrk s LEU 10 CO 0.01 -0.19 1.80 -1.20 -1.32 0.00 0.00 176.35 175.46 2wrk n SER 11 N 4.98 2.70 0.00 3.68 7.64 -1.26 -3.42 113.62 127.94 2wrk n SER 11 Ca -0.10 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2wrk n SER 11 Cb 0.50 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2wrk n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wrk n ALA 12 N 6.31 1.68 0.26 -0.43 0.00 -1.26 -4.48 120.51 122.59 2wrk n ALA 12 Ca 0.41 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.82 2wrk n ALA 12 Cb 0.26 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.38 2wrk n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrk h LEU 13 N 0.00 0.00 -2.00 0.00 4.07 -1.99 0.16 115.31 115.55 2wrk h LEU 13 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.12 2wrk h LEU 13 Cb 0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 2wrk h LEU 13 CO 0.00 0.13 0.44 0.50 -1.08 0.00 0.00 178.44 178.43 2wrk h LYS 14 N 0.00 0.00 0.00 1.13 3.64 -1.89 2.13 116.57 121.58 2wrk h LYS 14 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 2wrk h LYS 14 Cb 0.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2wrk h LYS 14 CO 0.02 0.00 -0.84 0.00 -2.27 0.00 0.00 179.45 176.35 2wrk h ARG 15 N 0.00 0.00 0.04 1.90 2.47 -0.99 -2.92 114.38 114.88 2wrk h ARG 15 Ca 0.27 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2wrk h ARG 15 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2wrk h ARG 15 CO -0.00 0.84 -0.02 1.25 0.56 0.00 0.00 179.97 182.60 2wrk h HIS 16 N 0.00 -0.05 -0.97 3.04 2.76 0.31 0.62 115.15 120.87 2wrk h HIS 16 Ca -0.01 -0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.33 2wrk h HIS 16 Cb 1.50 0.02 -0.17 0.00 1.55 0.00 0.00 27.41 30.31 2wrk h HIS 16 CO 0.00 0.55 -0.33 0.00 -1.30 0.00 0.00 177.93 176.85 2wrk h ARG 17 N -0.94 -0.01 0.22 5.26 3.08 0.21 0.77 114.38 122.98 2wrk h ARG 17 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wrk h ARG 17 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wrk h ARG 17 CO 0.01 -0.01 -0.11 1.96 -1.07 0.00 0.00 179.97 180.76 2wrk h GLN 18 N -0.01 -0.29 -0.87 0.04 4.20 -1.57 -2.36 115.11 114.25 2wrk h GLN 18 Ca 0.39 0.02 0.31 0.00 0.06 0.00 0.00 58.65 59.43 2wrk h GLN 18 Cb 0.64 0.07 -0.16 0.00 0.30 0.00 0.00 27.48 28.33 2wrk h GLN 18 CO -0.98 -0.13 0.25 0.45 -0.67 0.00 0.00 178.83 177.75 2wrk n SER 19 N -5.18 0.11 -0.01 1.46 2.88 0.24 0.69 113.62 113.79 2wrk n SER 19 Ca -0.09 1.47 -0.13 0.00 -1.33 0.00 0.00 58.87 58.78 2wrk n SER 19 Cb 0.17 -0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 62.90 2wrk n SER 19 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wrk h LEU 20 N 0.00 -0.01 0.01 2.46 3.38 -0.14 -3.01 115.31 118.01 2wrk h LEU 20 Ca 0.64 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wrk h LEU 20 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2wrk h LEU 20 CO -0.75 0.52 -0.08 0.11 0.09 0.00 0.00 178.44 178.33 2wrk h LYS 21 N -0.54 -0.11 -0.66 1.13 1.57 0.73 -0.74 116.57 117.95 2wrk h LYS 21 Ca -0.00 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2wrk h LYS 21 Cb 0.53 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 2wrk h LYS 21 CO 0.00 -0.07 -0.52 0.00 -0.57 0.00 0.00 179.45 178.29 2wrk h ARG 22 N -0.11 -0.20 -0.74 3.15 3.08 -1.39 0.89 114.38 119.05 2wrk h ARG 22 Ca 0.00 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.19 2wrk h ARG 22 Cb 0.11 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.08 2wrk h ARG 22 CO -0.05 -0.13 -0.34 -0.09 -1.07 0.00 0.00 179.97 178.28 2wrk h ARG 23 N -0.21 -0.09 -0.86 0.04 2.43 -1.37 0.75 114.38 115.08 2wrk h ARG 23 Ca 0.15 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.47 2wrk h ARG 23 Cb 0.54 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2wrk h ARG 23 CO -0.75 -0.06 0.56 1.25 -1.51 0.00 0.00 179.97 179.46 2wrk h LEU 24 N -0.10 0.58 0.00 3.80 7.12 0.65 0.23 115.31 127.59 2wrk h LEU 24 Ca 0.28 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.33 2wrk h LEU 24 Cb 0.57 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2wrk h LEU 24 CO -0.79 0.29 0.00 -1.14 -0.13 0.00 0.00 178.44 176.67 2wrk n ARG 25 N -4.54 0.00 0.20 1.25 0.63 0.26 -3.54 116.66 110.92 2wrk n ARG 25 Ca 0.17 0.09 0.18 0.00 -0.92 0.00 0.00 57.85 57.36 2wrk n ARG 25 Cb 0.49 -0.88 0.74 0.00 0.45 0.00 0.00 32.46 33.26 2wrk n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2wrk h ASN 26 N 0.00 0.00 -0.61 6.15 -0.00 -1.40 0.42 115.58 120.14 2wrk h ASN 26 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.30 56.44 2wrk h ASN 26 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 2wrk h ASN 26 CO 0.00 0.00 0.42 0.50 -0.00 0.00 0.00 177.43 178.35 2wrk h LYS 27 N 0.00 0.23 0.04 4.14 3.11 -0.59 -0.90 116.57 122.60 2wrk h LYS 27 Ca 0.11 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.93 2wrk h LYS 27 Cb 0.97 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2wrk h LYS 27 CO -0.00 0.15 -0.02 0.00 -2.81 0.00 0.00 179.45 176.78 2wrk h ALA 28 N 1.70 -0.05 0.00 5.00 0.00 -0.19 -2.69 119.26 123.02 2wrk h ALA 28 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wrk h ALA 28 Cb 0.83 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2wrk h ALA 28 CO -0.06 -0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.50 2wrk n LYS 29 N -4.80 0.13 0.02 0.00 2.85 -1.16 -0.34 118.16 114.86 2wrk n LYS 29 Ca -0.02 0.62 -0.01 0.00 -1.05 0.00 0.00 58.31 57.85 2wrk n LYS 29 Cb 0.06 -1.92 -0.00 0.00 -0.65 0.00 0.00 35.03 32.52 2wrk n LYS 29 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2wrk h LYS 30 N 0.00 -0.05 0.00 -1.58 1.63 -1.23 -2.77 116.57 112.58 2wrk h LYS 30 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wrk h LYS 30 Cb 0.02 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2wrk h LYS 30 CO 0.00 -0.03 0.00 0.66 -3.45 0.00 0.00 179.45 176.63 2wrk h SER 31 N -0.11 0.00 0.15 4.20 4.64 -1.05 -2.75 113.55 118.63 2wrk h SER 31 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wrk h SER 31 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wrk h SER 31 CO 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.90 2wrk h ALA 32 N 2.01 -0.48 -1.16 5.18 0.00 -0.74 -2.64 119.26 121.44 2wrk h ALA 32 Ca 0.00 -0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.20 2wrk h ALA 32 Cb 0.03 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 2wrk h ALA 32 CO 0.00 -0.47 0.76 0.82 0.00 0.00 0.00 179.25 180.36 2wrk h ILE 33 N -0.40 0.39 0.00 0.00 2.04 -1.26 0.38 117.51 118.66 2wrk h ILE 33 Ca -0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2wrk h ILE 33 Cb 0.15 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2wrk h ILE 33 CO 0.03 0.04 0.00 0.29 0.00 0.00 0.00 178.15 178.52 2wrk n LYS 34 N -4.56 0.00 -0.32 2.37 5.02 -1.06 0.13 118.16 119.74 2wrk n LYS 34 Ca 0.29 0.17 0.20 0.00 -2.02 0.00 0.00 58.31 56.95 2wrk n LYS 34 Cb 1.11 -1.13 0.39 0.00 -0.02 0.00 0.00 35.03 35.38 2wrk n LYS 34 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2wrk h THR 35 N 0.00 0.14 -0.22 -0.18 1.35 -1.01 0.44 112.91 113.43 2wrk h THR 35 Ca 0.00 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.77 2wrk h THR 35 Cb 0.00 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 2wrk h THR 35 CO 0.00 0.02 -0.07 0.25 -0.25 0.00 0.00 175.52 175.47 2wrk h LEU 36 N 0.10 0.43 -1.12 3.87 7.12 -0.90 -1.40 115.31 123.43 2wrk h LEU 36 Ca 0.67 -0.38 0.22 0.00 0.13 0.00 0.00 57.88 58.52 2wrk h LEU 36 Cb 1.51 -0.12 -0.10 0.00 -0.53 0.00 0.00 40.66 41.42 2wrk h LEU 36 CO -0.77 0.71 0.62 0.28 -0.13 0.00 0.00 178.44 179.15 2wrk h SER 37 N 0.15 0.67 0.42 1.25 0.02 0.58 -2.50 113.55 114.14 2wrk h SER 37 Ca 0.05 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2wrk h SER 37 Cb 0.53 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2wrk h SER 37 CO 0.02 0.20 -0.20 0.11 -1.14 0.00 0.00 176.83 175.82 2wrk h LYS 38 N 0.63 -0.54 -1.09 3.45 1.57 -1.05 -3.01 116.57 116.53 2wrk h LYS 38 Ca 0.59 0.04 0.38 0.00 -1.87 0.00 0.00 60.65 59.78 2wrk h LYS 38 Cb 1.10 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 2wrk h LYS 38 CO -0.37 -0.36 0.69 1.17 -0.57 0.00 0.00 179.45 180.02 2wrk n LYS 39 N -4.72 -0.03 0.00 3.15 4.81 -0.55 -0.74 118.16 120.09 2wrk n LYS 39 Ca -0.07 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 2wrk n LYS 39 Cb 0.22 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2wrk n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrk n ALA 40 N -2.53 -0.14 -0.46 3.14 0.00 -1.00 -3.11 120.51 116.41 2wrk n ALA 40 Ca 0.32 0.00 0.41 0.00 0.00 0.00 0.00 53.44 54.18 2wrk n ALA 40 Cb 1.25 0.00 0.77 0.00 0.00 0.00 0.00 19.45 21.46 2wrk n ALA 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2wrk h ILE 41 N 0.00 0.26 0.13 0.00 3.07 -1.17 0.16 117.51 119.96 2wrk h ILE 41 Ca 0.00 -0.01 -0.00 0.00 1.55 0.00 0.00 64.86 66.40 2wrk h ILE 41 Cb 0.00 0.24 -0.01 0.00 -0.27 0.00 0.00 36.82 36.78 2wrk h ILE 41 CO 0.00 0.00 -0.14 -0.61 -1.05 0.00 0.00 178.15 176.36 2wrk h GLN 42 N 0.02 -0.26 0.19 0.16 5.75 -1.00 -2.01 115.11 117.96 2wrk h GLN 42 Ca 0.71 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.23 2wrk h GLN 42 Cb 2.79 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 31.38 2wrk h GLN 42 CO -0.04 -0.17 -0.32 -0.07 -2.65 0.00 0.00 178.83 175.59 2wrk h LEU 43 N -0.27 -0.91 -0.59 -2.39 3.38 -0.94 0.92 115.31 114.51 2wrk h LEU 43 Ca -0.02 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.26 2wrk h LEU 43 Cb 0.23 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 2wrk h LEU 43 CO -0.02 -0.37 0.24 0.00 0.09 0.00 0.00 178.44 178.38 2wrk n ALA 44 N -2.67 0.53 0.14 1.53 0.00 -0.67 0.38 120.51 119.75 2wrk n ALA 44 Ca -0.06 0.61 -0.25 0.00 0.00 0.00 0.00 53.44 53.74 2wrk n ALA 44 Cb 0.27 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 18.99 2wrk n ALA 44 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wrk h GLN 45 N 0.00 0.53 0.00 0.00 -0.00 -0.73 -3.26 115.11 111.65 2wrk h GLN 45 Ca 0.46 -0.91 -0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2wrk h GLN 45 Cb 1.18 0.34 -0.00 0.00 0.00 0.00 0.00 27.48 28.99 2wrk h GLN 45 CO -0.48 1.44 -0.00 1.49 0.00 0.00 0.00 178.83 181.28 2wrk h GLU 46 N 0.15 0.00 0.00 1.69 4.81 0.94 -3.46 114.58 118.71 2wrk h GLU 46 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2wrk h GLU 46 Cb 2.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.55 2wrk h GLU 46 CO 0.27 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.96 2wrk n GLY 47 N -1.05 2.46 2.35 1.92 0.00 0.67 -4.99 105.19 106.54 2wrk n GLY 47 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2wrk n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrk n LYS 48 N -0.38 0.00 0.00 1.61 4.76 -1.18 -4.76 118.16 118.21 2wrk n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wrk n LYS 48 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2wrk n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrk n ALA 49 N 2.40 0.00 0.01 7.82 0.00 -1.26 -0.63 120.51 128.85 2wrk n ALA 49 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wrk n ALA 49 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wrk n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wrk h GLU 50 N 0.00 -0.12 0.00 0.00 4.11 -1.91 -2.82 114.58 113.85 2wrk h GLU 50 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2wrk h GLU 50 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wrk h GLU 50 CO 0.00 0.40 0.06 -0.85 0.07 0.00 0.00 179.01 178.70 2wrk n GLU 51 N -4.85 0.10 -0.06 1.06 0.28 -0.99 -0.40 120.64 115.78 2wrk n GLU 51 Ca -0.08 0.59 -0.06 0.00 -0.16 0.00 0.00 57.16 57.45 2wrk n GLU 51 Cb 0.29 -1.91 -0.05 0.00 1.43 0.00 0.00 31.44 31.20 2wrk n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wrk h ALA 52 N 1.82 0.02 -1.17 -1.84 0.00 -0.89 -3.27 119.26 113.94 2wrk h ALA 52 Ca 0.00 -0.31 0.33 0.00 0.00 0.00 0.00 54.91 54.93 2wrk h ALA 52 Cb 0.13 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2wrk h ALA 52 CO 0.00 0.13 0.78 -0.07 0.00 0.00 0.00 179.25 180.09 2wrk h LEU 53 N -1.00 0.27 0.16 0.00 3.38 -0.46 -0.20 115.31 117.46 2wrk h LEU 53 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wrk h LEU 53 Cb 0.45 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wrk h LEU 53 CO -0.02 0.00 -0.14 0.50 0.09 0.00 0.00 178.44 178.87 2wrk h LYS 54 N 0.21 -0.28 -0.66 1.13 3.64 -1.04 -0.67 116.57 118.90 2wrk h LYS 54 Ca 0.65 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 60.18 2wrk h LYS 54 Cb 2.01 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.79 2wrk h LYS 54 CO -0.24 -0.19 0.10 0.82 -2.27 0.00 0.00 179.45 177.67 2wrk h ILE 55 N -0.29 0.53 -0.86 2.00 1.08 -1.13 0.16 117.51 119.00 2wrk h ILE 55 Ca -0.02 -0.07 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 2wrk h ILE 55 Cb 0.25 0.30 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 2wrk h ILE 55 CO -0.01 0.04 0.56 -0.03 -0.69 0.00 0.00 178.15 178.02 2wrk h MET 56 N 0.21 0.64 -0.26 2.37 4.05 -1.09 0.37 114.93 121.22 2wrk h MET 56 Ca 0.36 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.64 2wrk h MET 56 Cb 0.59 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2wrk h MET 56 CO -0.49 0.42 -0.28 -0.09 0.23 0.00 0.00 176.91 176.70 2wrk h ARG 57 N 0.66 0.52 0.35 0.39 2.43 0.91 -1.58 114.38 118.06 2wrk h ARG 57 Ca 0.42 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2wrk h ARG 57 Cb 0.69 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2wrk h ARG 57 CO -0.18 0.75 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.64 2wrk h LYS 58 N 0.45 -0.45 -0.85 0.20 1.63 -0.04 -2.78 116.57 114.73 2wrk h LYS 58 Ca 0.06 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.98 2wrk h LYS 58 Cb 0.72 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.33 2wrk h LYS 58 CO 0.06 -0.15 -0.54 0.00 -3.45 0.00 0.00 179.45 175.36 2wrk h ALA 59 N -0.68 -0.48 -0.83 5.00 0.00 -0.42 0.21 119.26 122.07 2wrk h ALA 59 Ca -0.05 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.11 2wrk h ALA 59 Cb 0.51 1.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.41 2wrk h ALA 59 CO 0.08 -0.93 -0.36 1.49 0.00 0.00 0.00 179.25 179.53 2wrk h GLU 60 N -0.10 -0.06 0.00 0.00 4.81 -1.30 -1.74 114.58 116.20 2wrk h GLU 60 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2wrk h GLU 60 Cb 0.48 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2wrk h GLU 60 CO -0.86 -0.04 0.00 0.45 -0.73 0.00 0.00 179.01 177.83 2wrk n SER 61 N -5.46 0.00 -0.33 1.04 2.88 0.66 -1.48 113.62 110.93 2wrk n SER 61 Ca 0.08 1.00 0.32 0.00 -1.33 0.00 0.00 58.87 58.94 2wrk n SER 61 Cb 0.38 -0.50 0.49 0.00 -0.75 0.00 0.00 64.21 63.84 2wrk n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wrk n LEU 62 N -2.42 0.00 0.00 2.46 4.77 -0.67 -0.27 117.00 120.86 2wrk n LEU 62 Ca 0.00 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 2wrk n LEU 62 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2wrk n LEU 62 CO 0.00 -0.73 0.08 -0.38 -1.33 0.00 0.00 177.39 175.03 2wrk n ILE 63 N -3.22 0.00 0.32 -0.08 5.41 -0.55 -1.97 119.36 119.28 2wrk n ILE 63 Ca 0.27 0.56 0.15 0.00 1.00 0.00 0.00 62.75 64.72 2wrk n ILE 63 Cb 1.48 -1.37 0.75 0.00 -0.71 0.00 0.00 39.64 39.80 2wrk n ILE 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2wrk h ASP 64 N 0.00 0.00 -0.02 4.38 5.19 -0.87 0.52 116.42 125.63 2wrk h ASP 64 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wrk h ASP 64 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wrk h ASP 64 CO 0.00 0.00 -0.01 0.11 -3.12 0.00 0.00 179.24 176.22 2wrk h LYS 65 N 0.00 0.03 0.00 3.56 1.79 -0.69 -3.03 116.57 118.23 2wrk h LYS 65 Ca 0.01 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2wrk h LYS 65 Cb 0.80 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2wrk h LYS 65 CO -0.00 0.42 -0.23 0.00 -1.08 0.00 0.00 179.45 178.56 2wrk h ALA 66 N 0.61 1.17 -0.17 3.86 0.00 0.63 -2.65 119.26 122.71 2wrk h ALA 66 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wrk h ALA 66 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wrk h ALA 66 CO 0.00 0.29 0.12 0.00 0.00 0.00 0.00 179.25 179.66 2wrk h ALA 67 N 1.77 1.95 0.18 0.00 0.00 -1.01 -3.12 119.26 119.03 2wrk h ALA 67 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wrk h ALA 67 Cb 0.60 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2wrk h ALA 67 CO 0.03 0.03 -0.36 0.87 0.00 0.00 0.00 179.25 179.82 2wrk h LYS 68 N 0.17 -0.56 0.00 0.00 1.57 -1.46 -3.41 116.57 112.88 2wrk h LYS 68 Ca 0.07 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2wrk h LYS 68 Cb 0.07 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2wrk h LYS 68 CO -0.01 -0.37 0.00 0.41 -0.57 0.00 0.00 179.45 178.90 2wrk n GLY 69 N -1.35 -2.62 0.00 3.86 0.00 -1.18 -4.94 105.19 98.96 2wrk n GLY 69 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2wrk n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrk n SER 70 N 0.00 1.24 0.00 1.61 7.64 -1.26 -4.87 113.62 117.98 2wrk n SER 70 Ca 0.00 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.41 2wrk n SER 70 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wrk n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wrk n THR 71 N -0.23 0.00 -3.37 0.44 -1.04 -1.25 -4.85 114.28 103.97 2wrk n THR 71 Ca 0.00 1.04 -0.14 0.00 -2.04 0.00 0.00 64.05 62.90 2wrk n THR 71 Cb 0.21 -1.94 0.02 0.00 -1.82 0.00 0.00 70.33 66.80 2wrk n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wrk n LEU 72 N -1.11 0.00 0.00 -4.42 4.77 -1.23 -5.04 117.00 109.96 2wrk n LEU 72 Ca 0.00 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 2wrk n LEU 72 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2wrk n LEU 72 CO 0.00 -0.55 0.00 1.41 -1.33 0.00 0.00 177.39 176.92 2wrk n HIS 73 N -1.57 -0.05 0.00 -1.77 8.25 -1.26 -4.47 115.22 114.34 2wrk n HIS 73 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2wrk n HIS 73 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 2wrk n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wrk n LYS 74 N 0.00 0.00 0.00 -0.41 4.76 -1.26 0.68 118.16 121.93 2wrk n LYS 74 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 2wrk n LYS 74 Cb 0.00 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 33.81 2wrk n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wrk n ASN 75 N 0.00 0.00 -0.22 4.39 3.02 -1.26 -3.39 115.26 117.80 2wrk n ASN 75 Ca 0.00 -0.08 -0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2wrk n ASN 75 Cb 0.00 -0.28 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 2wrk n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrk h ALA 76 N 3.17 0.44 -1.99 5.41 0.00 -0.16 2.48 119.26 128.61 2wrk h ALA 76 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wrk h ALA 76 Cb 0.23 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wrk h ALA 76 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.83 2wrk n ALA 77 N -3.10 -0.09 -0.18 0.00 0.00 -0.90 -2.72 120.51 113.52 2wrk n ALA 77 Ca 0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.69 2wrk n ALA 77 Cb 0.34 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.11 2wrk n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrk n ALA 78 N -1.00 0.55 0.35 0.00 0.00 -1.02 0.81 120.51 120.19 2wrk n ALA 78 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 53.44 53.87 2wrk n ALA 78 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 2wrk n ALA 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrk h ARG 79 N 0.00 -0.87 -1.11 0.00 2.43 0.42 -0.96 114.38 114.30 2wrk h ARG 79 Ca 0.46 0.06 0.31 0.00 -0.81 0.00 0.00 59.98 60.00 2wrk h ARG 79 Cb 1.21 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 30.85 2wrk h ARG 79 CO -0.44 -0.58 0.71 0.00 -1.51 0.00 0.00 179.97 178.15 2wrk h ARG 80 N -1.09 0.30 0.53 0.20 3.08 0.61 -1.45 114.38 116.56 2wrk h ARG 80 Ca -0.09 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2wrk h ARG 80 Cb 0.69 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.68 2wrk h ARG 80 CO 0.15 0.20 -0.25 0.87 -1.07 0.00 0.00 179.97 179.87 2wrk h LYS 81 N 0.31 -0.68 0.00 0.04 1.57 -1.16 -0.39 116.57 116.26 2wrk h LYS 81 Ca 0.66 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 2wrk h LYS 81 Cb 1.78 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2wrk h LYS 81 CO -0.35 -0.39 0.21 -1.13 -0.57 0.00 0.00 179.45 177.23 2wrk n SER 82 N -5.27 0.00 -0.09 0.86 3.41 -0.38 0.59 113.62 112.75 2wrk n SER 82 Ca -0.10 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 2wrk n SER 82 Cb 0.31 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 2wrk n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wrk n ARG 83 N -1.25 0.89 0.00 4.33 1.74 -1.00 -4.17 116.66 117.20 2wrk n ARG 83 Ca 0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2wrk n ARG 83 Cb 0.21 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2wrk n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wrk n LEU 84 N -2.86 0.28 -1.38 0.55 -0.00 0.20 -1.39 117.00 112.39 2wrk n LEU 84 Ca -0.30 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2wrk n LEU 84 Cb 0.91 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2wrk n LEU 84 CO 0.24 -0.32 0.37 1.15 -0.00 0.00 0.00 177.39 178.83 2wrk n MET 85 N -1.45 0.49 0.04 1.96 0.00 -0.40 -1.60 117.12 116.16 2wrk n MET 85 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.70 2wrk n MET 85 Cb 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 33.22 31.96 2wrk n MET 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2wrk n ARG 86 N 1.26 0.02 -0.06 3.17 0.63 -1.06 -4.56 116.66 116.05 2wrk n ARG 86 Ca 0.00 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.82 2wrk n ARG 86 Cb 0.25 -0.53 0.01 0.00 0.45 0.00 0.00 32.46 32.64 2wrk n ARG 86 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wrk h LYS 87 N -0.03 0.77 0.14 -0.14 1.63 -0.22 -1.89 116.57 116.84 2wrk h LYS 87 Ca -0.00 -0.45 0.02 0.00 -0.85 0.00 0.00 60.65 59.36 2wrk h LYS 87 Cb 0.23 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 2wrk h LYS 87 CO -0.00 1.08 -0.27 0.28 -3.45 0.00 0.00 179.45 177.09 2wrk h VAL 88 N 0.61 0.42 0.00 2.00 2.07 -1.54 0.33 116.25 120.13 2wrk h VAL 88 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2wrk h VAL 88 Cb 1.06 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2wrk h VAL 88 CO 0.10 0.00 -0.01 -0.09 0.02 0.00 0.00 177.57 177.60 2wrk h ARG 89 N -0.49 0.00 -1.39 1.57 2.43 -1.78 -1.41 114.38 113.30 2wrk h ARG 89 Ca 0.02 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.69 2wrk h ARG 89 Cb 0.51 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.85 2wrk h ARG 89 CO -0.14 0.01 0.64 1.04 -1.51 0.00 0.00 179.97 180.00 2wrk n GLN 90 N -4.14 2.26 0.00 0.20 6.02 0.07 -3.22 117.38 118.58 2wrk n GLN 90 Ca -0.03 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 2wrk n GLN 90 Cb 0.09 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.38 2wrk n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wrk n LEU 91 N -0.15 0.00 0.04 1.08 4.77 -0.63 -4.81 117.00 117.30 2wrk n LEU 91 Ca 0.46 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 2wrk n LEU 91 Cb 0.59 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.09 2wrk n LEU 91 CO 0.55 0.00 0.73 0.18 -1.33 0.00 0.00 177.39 177.52 2wrk n LEU 92 N -0.16 0.43 -0.47 2.23 4.77 -0.65 -2.22 117.00 120.93 2wrk n LEU 92 Ca 0.00 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2wrk n LEU 92 Cb 0.00 -0.35 0.42 0.00 -2.33 0.00 0.00 43.42 41.16 2wrk n LEU 92 CO 0.00 -0.03 0.80 -1.84 -1.33 0.00 0.00 177.39 174.99 2wrk n GLU 93 N -1.80 1.62 -0.45 3.23 0.00 -1.20 -2.07 120.64 119.97 2wrk n GLU 93 Ca 0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 57.16 56.26 2wrk n GLU 93 Cb 0.38 -1.39 0.01 0.00 0.00 0.00 0.00 31.44 30.44 2wrk n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wrk n ALA 94 N 0.15 3.82 -1.68 -1.84 0.00 -0.94 -4.69 120.51 115.32 2wrk n ALA 94 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2wrk n ALA 94 Cb 0.30 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2wrk n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrk n ALA 95 N 1.06 -3.04 0.00 0.00 0.00 -1.24 -5.02 120.51 112.27 2wrk n ALA 95 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wrk n ALA 95 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2wrk n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrk n GLY 96 N -0.17 0.00 2.28 0.00 0.00 -0.88 -5.04 105.19 101.39 2wrk n GLY 96 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wrk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk n ALA 97 N -0.27 -1.75 -1.52 4.61 0.00 -1.24 -4.47 120.51 115.86 2wrk n ALA 97 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 2wrk n ALA 97 Cb 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 2wrk n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wrk n PRO 98 N 1.91 0.31 0.00 0.00 -0.04 -1.26 -4.87 135.00 131.05 2wrk n PRO 98 Ca -0.02 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2wrk n PRO 98 Cb 0.03 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2wrk n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wrk n LEU 99 N 11.66 0.00 -4.23 1.53 4.77 -1.26 -4.84 117.00 124.63 2wrk n LEU 99 Ca 0.57 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.19 2wrk n LEU 99 Cb 0.24 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2wrk n LEU 99 CO 0.87 0.00 -0.64 0.00 -1.33 0.00 0.00 177.39 176.28 2wrk n ILE 100 N 0.00 0.44 -0.92 -0.08 0.13 -1.26 -4.70 119.36 112.98 2wrk n ILE 100 Ca 0.00 -0.43 -0.29 0.00 -1.10 0.00 0.00 62.75 60.93 2wrk n ILE 100 Cb 0.00 -0.28 -0.03 0.00 -0.84 0.00 0.00 39.64 38.49 2wrk n ILE 100 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2wrk n GLY 101 N 2.51 3.10 0.00 4.50 0.00 -1.26 -4.90 105.19 109.15 2wrk n GLY 101 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2wrk n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrk n GLY 102 N 3.96 -2.69 0.00 -0.02 0.00 -1.26 -4.96 105.19 100.22 2wrk n GLY 102 Ca 0.48 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2wrk n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrk n GLY 103 N 1.98 -2.69 0.94 -0.02 0.00 -1.26 -4.74 105.19 99.41 2wrk n GLY 103 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2wrk n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wrk n LEU 104 N -2.15 0.10 -4.84 0.99 0.00 -1.26 -4.86 117.00 104.98 2wrk n LEU 104 Ca 0.00 0.31 -0.34 0.00 0.00 0.00 0.00 56.01 55.98 2wrk n LEU 104 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 43.42 43.12 2wrk n LEU 104 CO 0.00 -0.41 0.44 -0.94 0.00 0.00 0.00 177.39 176.49 2wrk s SER 105 N 0.26 6.87 0.00 1.96 1.04 -1.26 -5.05 113.70 117.53 2wrk s SER 105 Ca 0.25 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2wrk s SER 105 Cb -0.35 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2wrk s SER 105 CO 0.17 -0.16 0.00 0.00 0.98 0.00 0.00 173.24 174.24