#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwk s GLN 3 N 0.00 0.45 0.08 9.51 -1.52 -1.26 -5.08 119.66 121.83 1dwk s GLN 3 Ca 0.00 -0.18 0.02 0.00 -1.95 0.00 0.00 55.36 53.25 1dwk s GLN 3 Cb 0.00 -0.44 -0.03 0.00 -0.22 0.00 0.00 33.01 32.32 1dwk s GLN 3 CO 0.00 0.10 -0.08 -1.54 -0.25 0.00 0.00 175.29 173.52 1dwk s SER 4 N -0.06 1.13 0.12 5.90 1.04 -1.26 -0.65 113.70 119.91 1dwk s SER 4 Ca 0.01 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1dwk s SER 4 Cb -0.03 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1dwk s SER 4 CO -0.00 -0.33 0.29 -1.10 0.98 0.00 0.00 173.24 173.08 1dwk s GLN 5 N -2.83 3.50 0.00 4.02 -1.52 -0.10 -4.88 119.66 117.85 1dwk s GLN 5 Ca 0.03 -0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.08 1dwk s GLN 5 Cb -0.02 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 1dwk s GLN 5 CO -0.02 0.53 0.22 0.44 -0.25 0.00 0.00 175.29 176.21 1dwk n ILE 6 N -0.04 0.00 -3.93 1.08 -5.35 -1.26 -4.07 119.36 105.79 1dwk n ILE 6 Ca -0.05 -0.38 -0.30 0.00 -0.27 0.00 0.00 62.75 61.75 1dwk n ILE 6 Cb 0.52 1.13 -0.16 0.00 -1.74 0.00 0.00 39.64 39.39 1dwk n ILE 6 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1dwk s ASN 7 N -0.33 3.62 0.60 7.28 2.47 -1.26 -4.95 114.94 122.35 1dwk s ASN 7 Ca 0.00 -1.06 0.32 0.00 0.42 0.00 0.00 52.86 52.54 1dwk s ASN 7 Cb 0.00 -1.12 1.88 0.00 -1.45 0.00 0.00 41.25 40.56 1dwk s ASN 7 CO 0.00 -0.22 2.25 0.08 -3.72 0.00 0.00 177.10 175.49 1dwk h ARG 8 N 7.99 0.00 0.00 0.43 0.11 -1.94 -2.90 114.38 118.07 1dwk h ARG 8 Ca -0.20 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.85 1dwk h ARG 8 Cb 1.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 1dwk h ARG 8 CO 0.41 0.02 -0.13 -0.91 0.10 0.00 0.00 179.97 179.46 1dwk h ASN 9 N 0.00 0.00 -0.07 0.08 2.35 -1.95 -1.17 115.58 114.82 1dwk h ASN 9 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dwk h ASN 9 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1dwk h ASN 9 CO 0.00 0.13 0.03 0.40 -1.65 0.00 0.00 177.43 176.34 1dwk h ILE 10 N 0.00 1.14 0.00 2.81 1.08 -1.95 0.12 117.51 120.71 1dwk h ILE 10 Ca -0.00 -0.41 -0.10 0.00 -0.39 0.00 0.00 64.86 63.95 1dwk h ILE 10 Cb 0.26 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1dwk h ILE 10 CO 0.02 0.12 -0.49 0.03 -0.69 0.00 0.00 178.15 177.14 1dwk h ARG 11 N -0.05 0.00 -0.12 2.37 2.47 -1.72 -2.12 114.38 115.22 1dwk h ARG 11 Ca 0.02 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.60 1dwk h ARG 11 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1dwk h ARG 11 CO -0.00 0.49 -0.56 -0.07 0.56 0.00 0.00 179.97 180.39 1dwk h LEU 12 N 0.00 0.40 -0.66 3.04 3.38 -1.06 0.40 115.31 120.80 1dwk h LEU 12 Ca -0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1dwk h LEU 12 Cb 1.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1dwk h LEU 12 CO 0.06 0.88 -0.24 0.44 0.09 0.00 0.00 178.44 179.67 1dwk h ASP 13 N 0.27 0.80 -0.59 -0.43 3.32 -0.83 -2.18 116.42 116.79 1dwk h ASP 13 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1dwk h ASP 13 Cb 1.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1dwk h ASP 13 CO 0.09 1.01 0.15 0.25 -1.72 0.00 0.00 179.24 179.03 1dwk h LEU 14 N 0.68 0.88 -1.09 1.55 5.85 -1.20 -2.18 115.31 119.81 1dwk h LEU 14 Ca 0.09 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1dwk h LEU 14 Cb 0.76 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1dwk h LEU 14 CO 0.06 0.88 0.62 0.00 -0.34 0.00 0.00 178.44 179.66 1dwk h ALA 15 N 1.04 1.54 -0.65 1.25 0.00 -0.47 0.05 119.26 122.02 1dwk h ALA 15 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1dwk h ALA 15 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1dwk h ALA 15 CO 0.00 0.26 0.22 -0.44 0.00 0.00 0.00 179.25 179.29 1dwk h ASP 16 N 0.99 0.94 -0.56 0.00 3.32 -0.81 -0.14 116.42 120.16 1dwk h ASP 16 Ca 0.45 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 1dwk h ASP 16 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1dwk h ASP 16 CO -0.21 0.88 -0.04 0.00 -1.72 0.00 0.00 179.24 178.15 1dwk h ALA 17 N 1.09 0.76 -0.46 3.45 0.00 -0.83 -0.78 119.26 122.49 1dwk h ALA 17 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dwk h ALA 17 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dwk h ALA 17 CO -0.01 0.63 0.29 0.82 0.00 0.00 0.00 179.25 180.97 1dwk h ILE 18 N 0.90 1.13 -0.25 0.00 2.04 -0.62 -1.68 117.51 119.03 1dwk h ILE 18 Ca 0.15 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1dwk h ILE 18 Cb 0.60 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1dwk h ILE 18 CO 0.04 0.13 -0.26 -0.07 0.00 0.00 0.00 178.15 177.99 1dwk h LEU 19 N 0.61 0.49 -0.59 1.44 3.38 -0.63 0.79 115.31 120.79 1dwk h LEU 19 Ca 0.17 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1dwk h LEU 19 Cb -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1dwk h LEU 19 CO -0.03 0.74 0.05 0.25 0.09 0.00 0.00 178.44 179.54 1dwk h LEU 20 N 0.43 0.98 -0.51 1.67 5.85 -0.70 -1.58 115.31 121.44 1dwk h LEU 20 Ca 0.06 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1dwk h LEU 20 Cb 0.68 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1dwk h LEU 20 CO 0.05 1.02 0.04 -1.28 -0.34 0.00 0.00 178.44 177.94 1dwk h SER 21 N 0.91 0.85 -0.25 1.25 0.87 -0.95 -0.53 113.55 115.69 1dwk h SER 21 Ca 0.17 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1dwk h SER 21 Cb 0.49 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1dwk h SER 21 CO 0.02 0.92 0.10 0.50 -0.53 0.00 0.00 176.83 177.84 1dwk h LYS 22 N 0.75 0.21 -0.68 2.24 3.64 -0.76 -1.02 116.57 120.96 1dwk h LYS 22 Ca 0.15 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1dwk h LYS 22 Cb 0.46 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1dwk h LYS 22 CO 0.02 0.14 0.19 0.00 -2.27 0.00 0.00 179.45 177.53 1dwk h ALA 23 N 1.15 1.05 -0.23 5.00 0.00 -0.97 -0.22 119.26 125.04 1dwk h ALA 23 Ca 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1dwk h ALA 23 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dwk h ALA 23 CO -0.10 0.63 -0.12 0.87 0.00 0.00 0.00 179.25 180.53 1dwk h LYS 24 N 1.01 0.38 -0.00 0.00 1.57 -0.65 -2.29 116.57 116.58 1dwk h LYS 24 Ca 0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1dwk h LYS 24 Cb 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1dwk h LYS 24 CO -0.00 0.51 -0.26 1.63 -0.57 0.00 0.00 179.45 180.75 1dwk n LYS 25 N -4.23 0.57 -3.59 3.15 5.02 -0.43 -4.95 118.16 113.70 1dwk n LYS 25 Ca 0.00 -0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 55.79 1dwk n LYS 25 Cb 0.30 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1dwk n LYS 25 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1dwk n ASP 26 N -0.96 -2.65 -4.94 4.39 2.03 -0.21 -4.98 116.55 109.23 1dwk n ASP 26 Ca 0.11 -0.69 -0.25 0.00 0.52 0.00 0.00 54.79 54.48 1dwk n ASP 26 Cb 0.33 -4.65 -0.02 0.00 -0.72 0.00 0.00 41.12 36.05 1dwk n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dwk s LEU 27 N -6.69 4.21 0.22 -2.67 1.02 -0.52 -5.03 118.68 109.21 1dwk s LEU 27 Ca 0.15 0.31 0.05 0.00 0.02 0.00 0.00 54.13 54.66 1dwk s LEU 27 Cb -0.07 -3.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.00 1dwk s LEU 27 CO 0.77 -0.10 0.25 -0.94 0.02 0.00 0.00 176.35 176.35 1dwk s SER 28 N -3.58 5.92 0.29 2.29 1.04 -1.26 -4.79 113.70 113.60 1dwk s SER 28 Ca 0.37 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.73 1dwk s SER 28 Cb -0.10 -1.64 0.42 0.00 0.10 0.00 0.00 66.02 64.79 1dwk s SER 28 CO 0.31 -0.02 1.92 -0.26 0.98 0.00 0.00 173.24 176.17 1dwk h PHE 29 N 1.65 1.00 -0.52 5.02 0.04 -1.99 -1.06 116.94 121.08 1dwk h PHE 29 Ca -0.49 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.30 1dwk h PHE 29 Cb 1.22 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 39.01 1dwk h PHE 29 CO 0.52 0.69 0.28 0.00 -0.60 0.00 0.00 178.31 179.20 1dwk h ALA 30 N 1.43 0.67 -0.00 2.45 0.00 -1.95 -2.12 119.26 119.73 1dwk h ALA 30 Ca 0.27 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1dwk h ALA 30 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1dwk h ALA 30 CO -0.05 -0.05 -0.73 1.05 0.00 0.00 0.00 179.25 179.47 1dwk h GLU 31 N 0.55 0.02 -0.75 0.00 4.11 -1.89 -1.10 114.58 115.53 1dwk h GLU 31 Ca 0.22 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.60 1dwk h GLU 31 Cb 0.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1dwk h GLU 31 CO -0.14 0.74 0.34 0.82 0.07 0.00 0.00 179.01 180.85 1dwk h ILE 32 N 0.01 1.25 0.00 -1.06 2.04 -0.99 -2.80 117.51 115.96 1dwk h ILE 32 Ca -0.01 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.02 1dwk h ILE 32 Cb 1.29 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1dwk h ILE 32 CO 0.10 0.30 -0.56 0.00 0.00 0.00 0.00 178.15 177.98 1dwk h ALA 33 N 1.17 0.75 -1.71 1.87 0.00 -1.18 -3.45 119.26 116.71 1dwk h ALA 33 Ca 0.26 -0.51 -0.68 0.00 0.00 0.00 0.00 54.91 53.97 1dwk h ALA 33 Cb 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 17.89 1dwk h ALA 33 CO -0.03 0.71 0.57 -3.47 0.00 0.00 0.00 179.25 177.03 1dwk n ASP 34 N -3.41 1.92 0.00 0.00 2.03 -0.43 -2.09 116.55 114.57 1dwk n ASP 34 Ca 0.01 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1dwk n ASP 34 Cb 0.68 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1dwk n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dwk n GLY 35 N 2.91 1.07 0.15 0.27 0.00 -1.26 -4.89 105.19 103.45 1dwk n GLY 35 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1dwk n GLY 35 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1dwk h THR 36 N 0.00 0.00 0.00 2.61 1.35 -1.73 -3.48 112.91 111.67 1dwk h THR 36 Ca 0.00 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1dwk h THR 36 Cb 0.00 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1dwk h THR 36 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1dwk n GLY 37 N 1.15 0.70 3.44 5.82 0.00 -1.26 -4.87 105.19 110.17 1dwk n GLY 37 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1dwk n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dwk s LEU 38 N 0.00 2.48 0.42 0.99 1.43 -1.26 -5.10 118.68 117.63 1dwk s LEU 38 Ca 0.00 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.04 1dwk s LEU 38 Cb 0.00 -1.24 -0.08 0.00 0.03 0.00 0.00 46.19 44.90 1dwk s LEU 38 CO 0.00 0.13 1.19 0.00 0.23 0.00 0.00 176.35 177.89 1dwk s ALA 39 N -1.58 3.12 0.25 4.21 0.00 -1.26 -4.82 121.76 121.68 1dwk s ALA 39 Ca 0.20 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1dwk s ALA 39 Cb -0.08 -3.40 0.49 0.00 0.00 0.00 0.00 23.12 20.13 1dwk s ALA 39 CO 0.10 -0.60 1.75 1.05 0.00 0.00 0.00 175.76 178.05 1dwk h GLU 40 N 2.48 0.52 -0.80 0.00 4.11 -1.92 -0.83 114.58 118.13 1dwk h GLU 40 Ca -0.49 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 58.93 1dwk h GLU 40 Cb 1.24 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1dwk h GLU 40 CO 0.62 0.34 0.53 0.00 0.07 0.00 0.00 179.01 180.57 1dwk h ALA 41 N 1.55 1.48 -0.03 1.06 0.00 -1.91 -0.30 119.26 121.11 1dwk h ALA 41 Ca 0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1dwk h ALA 41 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dwk h ALA 41 CO -0.38 0.45 -0.19 0.35 0.00 0.00 0.00 179.25 179.48 1dwk h PHE 42 N 1.02 0.24 -0.60 0.00 3.57 -1.64 -1.88 116.94 117.65 1dwk h PHE 42 Ca 0.31 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1dwk h PHE 42 Cb -0.02 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1dwk h PHE 42 CO -0.00 0.84 0.27 0.28 -2.23 0.00 0.00 178.31 177.47 1dwk h VAL 43 N -0.42 1.22 -0.28 1.41 2.07 -1.17 -1.40 116.25 117.67 1dwk h VAL 43 Ca -0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1dwk h VAL 43 Cb 0.87 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1dwk h VAL 43 CO 0.04 0.25 0.15 0.74 0.02 0.00 0.00 177.57 178.77 1dwk h THR 44 N 0.82 1.13 -0.85 2.57 2.02 -1.10 -1.14 112.91 116.35 1dwk h THR 44 Ca 0.20 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.10 1dwk h THR 44 Cb 0.14 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1dwk h THR 44 CO -0.02 0.13 0.56 0.00 0.37 0.00 0.00 175.52 176.55 1dwk h ALA 45 N 1.03 1.54 -0.17 6.16 0.00 -1.05 -1.28 119.26 125.49 1dwk h ALA 45 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dwk h ALA 45 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dwk h ALA 45 CO -0.02 0.34 0.06 0.00 0.00 0.00 0.00 179.25 179.63 1dwk h ALA 46 N 1.53 0.22 -0.98 0.00 0.00 -0.57 0.14 119.26 119.61 1dwk h ALA 46 Ca 0.36 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.33 1dwk h ALA 46 Cb 0.17 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1dwk h ALA 46 CO -0.13 -0.16 0.58 -0.07 0.00 0.00 0.00 179.25 179.48 1dwk h LEU 47 N 0.11 0.75 -1.11 0.00 3.38 -0.63 -1.31 115.31 116.49 1dwk h LEU 47 Ca 0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1dwk h LEU 47 Cb 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1dwk h LEU 47 CO -0.00 0.28 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1dwk n LEU 48 N -4.78 1.61 0.00 1.67 4.77 -0.54 -4.14 117.00 115.59 1dwk n LEU 48 Ca 0.22 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1dwk n LEU 48 Cb 0.54 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1dwk n LEU 48 CO 0.21 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1dwk n GLY 49 N 0.82 0.74 0.36 -0.72 0.00 -0.49 -4.82 105.19 101.08 1dwk n GLY 49 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1dwk n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dwk n GLN 50 N -2.13 0.50 -4.10 1.61 1.13 0.42 -4.69 117.38 110.12 1dwk n GLN 50 Ca 0.00 -1.11 -0.11 0.00 -1.94 0.00 0.00 57.00 53.84 1dwk n GLN 50 Cb 0.00 -1.17 -0.07 0.00 0.11 0.00 0.00 30.24 29.11 1dwk n GLN 50 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1dwk s GLN 51 N -0.74 1.42 -0.07 -1.09 -1.52 -1.21 -4.82 119.66 111.63 1dwk s GLN 51 Ca 0.11 -1.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.05 1dwk s GLN 51 Cb 0.07 0.38 -0.03 0.00 -0.22 0.00 0.00 33.01 33.21 1dwk s GLN 51 CO 0.11 -0.54 -0.05 0.00 -0.25 0.00 0.00 175.29 174.56 1dwk s ALA 52 N -4.00 3.07 0.03 6.09 0.00 -1.26 -4.36 121.76 121.33 1dwk s ALA 52 Ca 0.31 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1dwk s ALA 52 Cb 0.03 -1.29 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 1dwk s ALA 52 CO 0.12 0.58 0.48 -0.51 0.00 0.00 0.00 175.76 176.42 1dwk s LEU 53 N -0.86 4.49 0.76 0.00 1.43 -0.24 -4.99 118.68 119.28 1dwk s LEU 53 Ca 0.13 1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 1dwk s LEU 53 Cb -0.11 -2.73 0.04 0.00 0.03 0.00 0.00 46.19 43.42 1dwk s LEU 53 CO 0.02 0.30 1.08 -2.65 0.23 0.00 0.00 176.35 175.33 1dwk n PRO 54 N 1.74 0.39 -0.26 1.29 -0.02 -1.26 -4.20 135.00 132.67 1dwk n PRO 54 Ca -0.12 0.20 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1dwk n PRO 54 Cb 0.52 -2.33 0.15 0.00 -0.02 0.00 0.00 33.50 31.81 1dwk n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dwk h ALA 55 N -0.52 1.05 -0.53 3.55 0.00 -1.98 -0.85 119.26 119.98 1dwk h ALA 55 Ca -0.47 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1dwk h ALA 55 Cb 1.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1dwk h ALA 55 CO 0.46 0.01 -0.11 -0.44 0.00 0.00 0.00 179.25 179.18 1dwk h ASP 56 N 0.68 1.01 -0.56 0.00 3.32 -2.00 -0.90 116.42 117.98 1dwk h ASP 56 Ca 0.37 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1dwk h ASP 56 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1dwk h ASP 56 CO -0.26 1.13 0.12 0.00 -1.72 0.00 0.00 179.24 178.51 1dwk h ALA 57 N 0.91 1.08 -0.59 3.45 0.00 -1.81 -1.40 119.26 120.92 1dwk h ALA 57 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1dwk h ALA 57 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1dwk h ALA 57 CO 0.05 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 1dwk h ALA 58 N 1.22 0.79 -0.79 0.00 0.00 -0.69 -0.41 119.26 119.39 1dwk h ALA 58 Ca 0.19 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1dwk h ALA 58 Cb 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1dwk h ALA 58 CO 0.00 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.23 1dwk h ARG 59 N 0.95 1.19 0.03 0.00 3.08 -0.95 -0.55 114.38 118.13 1dwk h ARG 59 Ca 0.16 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1dwk h ARG 59 Cb 0.59 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1dwk h ARG 59 CO 0.04 0.96 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.81 1dwk h LEU 60 N 1.15 -0.04 -0.99 3.04 3.38 -0.92 -0.98 115.31 119.96 1dwk h LEU 60 Ca 0.26 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1dwk h LEU 60 Cb 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1dwk h LEU 60 CO -0.02 0.13 -0.35 -0.37 0.09 0.00 0.00 178.44 177.92 1dwk h VAL 61 N -0.20 1.29 -0.72 1.22 -1.51 -1.08 -2.57 116.25 112.68 1dwk h VAL 61 Ca -0.00 -1.39 -0.05 0.00 -1.23 0.00 0.00 66.70 64.03 1dwk h VAL 61 Cb 0.18 1.56 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 1dwk h VAL 61 CO 0.01 0.42 0.25 1.23 -1.23 0.00 0.00 177.57 178.24 1dwk h GLY 62 N 1.12 1.18 1.04 5.19 0.00 -0.89 -1.49 103.07 109.23 1dwk h GLY 62 Ca 0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1dwk h GLY 62 CO 0.06 0.63 -0.15 0.00 0.00 0.00 0.00 176.54 177.08 1dwk h ALA 63 N 1.20 0.63 -0.50 3.60 0.00 -1.02 0.90 119.26 124.06 1dwk h ALA 63 Ca 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1dwk h ALA 63 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dwk h ALA 63 CO -0.01 0.55 0.21 0.87 0.00 0.00 0.00 179.25 180.87 1dwk h LYS 64 N 0.73 0.72 -0.18 0.00 1.57 -1.08 -3.00 116.57 115.32 1dwk h LYS 64 Ca 0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1dwk h LYS 64 Cb 0.70 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1dwk h LYS 64 CO 0.05 0.59 0.00 1.28 -0.57 0.00 0.00 179.45 180.80 1dwk n LEU 65 N -4.35 3.09 -3.22 2.94 4.77 -0.59 -4.98 117.00 114.65 1dwk n LEU 65 Ca 0.04 -1.23 -0.18 0.00 -0.03 0.00 0.00 56.01 54.60 1dwk n LEU 65 Cb 0.15 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1dwk n LEU 65 CO 0.38 0.60 0.16 0.47 -1.33 0.00 0.00 177.39 177.67 1dwk n ASP 66 N 1.32 -4.05 -4.84 -1.43 8.00 0.15 -4.89 116.55 110.81 1dwk n ASP 66 Ca 0.15 -0.52 -0.33 0.00 0.71 0.00 0.00 54.79 54.81 1dwk n ASP 66 Cb 0.57 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.01 1dwk n ASP 66 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dwk s LEU 67 N -6.28 4.07 0.88 0.64 1.43 -0.25 -5.04 118.68 114.13 1dwk s LEU 67 Ca 0.27 1.42 -0.13 0.00 -1.03 0.00 0.00 54.13 54.66 1dwk s LEU 67 Cb -0.12 -4.16 0.13 0.00 0.03 0.00 0.00 46.19 42.07 1dwk s LEU 67 CO 0.65 -0.22 1.19 1.51 0.23 0.00 0.00 176.35 179.71 1dwk s ASP 68 N -2.17 3.80 0.22 2.29 1.47 -1.26 -4.81 116.67 116.21 1dwk s ASP 68 Ca 0.55 0.74 -0.05 0.00 1.18 0.00 0.00 52.55 54.97 1dwk s ASP 68 Cb -0.11 -1.16 0.21 0.00 -0.34 0.00 0.00 42.92 41.52 1dwk s ASP 68 CO 0.17 -2.35 1.70 -0.33 0.68 0.00 0.00 175.17 175.04 1dwk h GLU 69 N -1.36 0.92 -0.26 2.11 4.39 -1.99 -1.71 114.58 116.67 1dwk h GLU 69 Ca -0.47 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 58.87 1dwk h GLU 69 Cb 1.31 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1dwk h GLU 69 CO 0.58 0.92 -0.19 -0.44 -1.16 0.00 0.00 179.01 178.72 1dwk h ASP 70 N 0.84 0.46 -0.33 1.42 3.32 -1.99 -1.79 116.42 118.37 1dwk h ASP 70 Ca 0.16 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1dwk h ASP 70 Cb 0.52 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1dwk h ASP 70 CO 0.03 0.67 -0.03 0.28 -1.72 0.00 0.00 179.24 178.46 1dwk h SER 71 N 0.43 0.60 -0.80 6.45 0.02 -1.85 0.72 113.55 119.12 1dwk h SER 71 Ca 0.07 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1dwk h SER 71 Cb 0.57 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1dwk h SER 71 CO 0.04 0.79 0.49 0.40 -1.14 0.00 0.00 176.83 177.41 1dwk h ILE 72 N 0.40 1.07 -0.44 3.27 2.04 -1.20 -1.51 117.51 121.14 1dwk h ILE 72 Ca 0.09 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1dwk h ILE 72 Cb 0.50 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1dwk h ILE 72 CO 0.02 0.17 0.11 0.25 0.00 0.00 0.00 178.15 178.71 1dwk h LEU 73 N 0.93 0.66 -1.22 1.44 5.85 -1.09 -3.03 115.31 118.85 1dwk h LEU 73 Ca 0.34 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1dwk h LEU 73 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1dwk h LEU 73 CO -0.15 0.71 0.23 -0.07 -0.34 0.00 0.00 178.44 178.82 1dwk h LEU 74 N 0.57 0.69 -2.45 2.25 3.38 -0.49 -1.40 115.31 117.86 1dwk h LEU 74 Ca 0.14 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1dwk h LEU 74 Cb 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1dwk h LEU 74 CO -0.00 0.62 0.02 -0.07 0.09 0.00 0.00 178.44 179.10 1dwk h LEU 75 N 0.76 0.00 -6.73 1.67 3.38 -1.15 -3.45 115.31 109.79 1dwk h LEU 75 Ca 0.19 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.41 1dwk h LEU 75 Cb 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 1dwk h LEU 75 CO -0.02 0.00 1.98 0.00 0.09 0.00 0.00 178.44 180.49 1dwk n GLN 76 N -3.82 3.49 -4.69 1.13 6.02 -0.53 -1.07 117.38 117.91 1dwk n GLN 76 Ca -0.02 -3.51 -0.33 0.00 -0.01 0.00 0.00 57.00 53.12 1dwk n GLN 76 Cb 0.11 -3.00 -0.14 0.00 1.02 0.00 0.00 30.24 28.22 1dwk n GLN 76 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dwk s ILE 78 N 1.00 3.01 0.62 5.09 -1.09 0.18 -4.68 121.20 125.33 1dwk s ILE 78 Ca 0.41 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 58.06 1dwk s ILE 78 Cb 0.07 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1dwk s ILE 78 CO -0.00 0.52 1.01 -2.16 -1.23 0.00 0.00 174.94 173.08 1dwk s PRO 79 N 0.49 3.40 -0.66 2.79 0.04 -1.26 -0.92 135.00 138.88 1dwk s PRO 79 Ca -0.09 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.32 1dwk s PRO 79 Cb -0.16 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.34 1dwk s PRO 79 CO 0.04 -0.64 0.97 -1.17 0.04 0.00 0.00 177.00 176.24 1dwk s LEU 80 N -5.17 4.34 0.48 -3.56 1.98 -1.26 -4.75 118.68 110.74 1dwk s LEU 80 Ca 0.55 -0.95 -0.19 0.00 -2.89 0.00 0.00 54.13 50.66 1dwk s LEU 80 Cb -0.11 -2.44 -0.09 0.00 0.66 0.00 0.00 46.19 44.21 1dwk s LEU 80 CO 0.52 -1.44 0.98 -0.13 -1.89 0.00 0.00 176.35 174.39 1dwk s ARG 81 N 4.10 4.02 0.00 1.98 0.52 -1.26 -4.45 118.95 123.86 1dwk s ARG 81 Ca 0.23 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1dwk s ARG 81 Cb -0.16 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1dwk s ARG 81 CO 0.11 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1dwk n GLY 82 N -1.08 2.18 0.03 -3.53 0.00 -1.26 -5.06 105.19 96.47 1dwk n GLY 82 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1dwk n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dwk s ILE 84 N -3.10 4.91 0.12 0.00 1.01 -1.26 -4.95 121.20 117.93 1dwk s ILE 84 Ca 0.08 1.66 -0.23 0.00 0.00 0.00 0.00 60.65 62.15 1dwk s ILE 84 Cb 0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1dwk s ILE 84 CO 0.73 0.09 1.66 -0.78 0.00 0.00 0.00 174.94 176.65 1dwk h ASP 85 N 7.13 -0.51 -1.61 3.58 3.58 -1.90 -3.37 116.42 123.32 1dwk h ASP 85 Ca -0.33 0.08 -0.49 0.00 0.42 0.00 0.00 57.03 56.71 1dwk h ASP 85 Cb 1.16 0.22 -0.34 0.00 1.72 0.00 0.00 39.33 42.09 1dwk h ASP 85 CO 0.81 -0.22 -1.00 -0.67 -2.88 0.00 0.00 179.24 175.28 1dwk n ASP 86 N -5.31 -0.37 0.00 2.28 2.03 -1.26 -5.03 116.55 108.89 1dwk n ASP 86 Ca -0.04 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.43 1dwk n ASP 86 Cb 0.22 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1dwk n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1dwk n ARG 87 N 1.36 0.00 -4.41 -0.67 1.74 -1.26 -4.74 116.66 108.67 1dwk n ARG 87 Ca 0.19 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.93 1dwk n ARG 87 Cb 0.56 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.86 1dwk n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dwk s ILE 88 N 0.00 3.12 0.57 0.55 -1.09 -1.26 -5.02 121.20 118.07 1dwk s ILE 88 Ca 0.00 -0.61 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 1dwk s ILE 88 Cb 0.00 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1dwk s ILE 88 CO 0.00 0.49 1.28 -2.84 -1.23 0.00 0.00 174.94 172.64 1dwk s PRO 89 N 0.80 3.04 -0.08 2.79 0.02 -1.26 -4.90 135.00 135.42 1dwk s PRO 89 Ca -0.04 2.04 0.15 0.00 0.02 0.00 0.00 61.00 63.17 1dwk s PRO 89 Cb -0.15 -2.10 -0.23 0.00 0.02 0.00 0.00 34.50 32.05 1dwk s PRO 89 CO 0.01 -1.21 0.51 0.25 -0.33 0.00 0.00 177.00 176.23 1dwk n THR 90 N -1.31 1.47 -2.33 0.99 -2.24 -1.26 -4.70 114.28 104.90 1dwk n THR 90 Ca 0.12 -0.80 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 1dwk n THR 90 Cb 0.47 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 1dwk n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dwk s ASP 91 N -5.85 7.01 0.29 3.42 2.15 -1.26 -4.88 116.67 117.54 1dwk s ASP 91 Ca -0.06 2.18 -0.00 0.00 0.43 0.00 0.00 52.55 55.10 1dwk s ASP 91 Cb 0.08 -2.59 0.49 0.00 -0.30 0.00 0.00 42.92 40.60 1dwk s ASP 91 CO 0.83 -0.49 1.91 -0.65 -0.17 0.00 0.00 175.17 176.59 1dwk h PRO 92 N 6.26 1.04 -0.19 4.34 0.11 -2.05 0.30 132.00 141.81 1dwk h PRO 92 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dwk h PRO 92 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1dwk h PRO 92 CO 0.80 0.69 0.00 2.41 -0.21 0.00 0.00 178.00 181.69 1dwk n THR 93 N -4.49 0.00 0.00 -1.15 -1.04 -1.26 -1.91 114.28 104.43 1dwk n THR 93 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1dwk n THR 93 Cb 0.19 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1dwk n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dwk n TYR 95 N 0.36 0.00 0.10 -1.42 9.36 0.10 -4.23 117.16 121.43 1dwk n TYR 95 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 1dwk n TYR 95 Cb 0.05 0.00 0.40 0.00 -0.63 0.00 0.00 39.34 39.16 1dwk n TYR 95 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dwk h ARG 96 N 0.00 0.30 -0.48 2.98 2.47 -1.64 0.12 114.38 118.14 1dwk h ARG 96 Ca 0.00 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 1dwk h ARG 96 Cb 0.00 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1dwk h ARG 96 CO 0.00 0.37 -0.17 0.74 0.56 0.00 0.00 179.97 181.47 1dwk h PHE 97 N 0.29 1.05 -0.76 3.04 0.04 -1.87 -2.77 116.94 115.96 1dwk h PHE 97 Ca 0.06 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 1dwk h PHE 97 Cb 0.28 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 1dwk h PHE 97 CO 0.01 1.02 0.30 -0.92 -0.60 0.00 0.00 178.31 178.12 1dwk h TYR 98 N 0.82 1.16 0.00 -0.55 3.20 -1.45 -3.01 116.97 117.14 1dwk h TYR 98 Ca 0.12 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1dwk h TYR 98 Cb 0.72 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1dwk h TYR 98 CO 0.04 0.88 0.00 -1.91 -1.64 0.00 0.00 178.16 175.54 1dwk n GLU 99 N -4.31 0.18 0.00 1.82 2.13 0.26 -1.43 120.64 119.28 1dwk n GLU 99 Ca 0.07 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1dwk n GLU 99 Cb 0.18 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1dwk n GLU 99 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1dwk n LEU 101 N 1.92 0.00 0.22 4.31 7.94 -1.14 -0.92 117.00 129.33 1dwk n LEU 101 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1dwk n LEU 101 Cb 0.09 0.00 0.50 0.00 0.53 0.00 0.00 43.42 44.54 1dwk n LEU 101 CO 0.00 0.00 0.87 1.56 -1.11 0.00 0.00 177.39 178.72 1dwk h GLN 102 N 0.00 0.00 0.12 1.96 1.08 -1.56 0.12 115.11 116.84 1dwk h GLN 102 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 1dwk h GLN 102 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1dwk h GLN 102 CO 0.00 0.21 -1.87 0.28 -0.95 0.00 0.00 178.83 176.50 1dwk h VAL 103 N 0.00 0.71 -0.19 -0.54 2.07 -1.32 -3.42 116.25 113.57 1dwk h VAL 103 Ca -0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1dwk h VAL 103 Cb 0.39 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1dwk h VAL 103 CO 0.03 0.84 0.00 -1.22 0.02 0.00 0.00 177.57 177.24 1dwk n TYR 104 N -3.60 0.24 -0.00 1.57 4.01 -1.23 -4.71 117.16 113.44 1dwk n TYR 104 Ca -0.31 -0.40 -0.10 0.00 -0.16 0.00 0.00 57.90 56.94 1dwk n TYR 104 Cb 1.01 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.98 1dwk n TYR 104 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1dwk h GLY 105 N 1.37 0.02 2.00 2.72 0.00 -1.00 0.15 103.07 108.34 1dwk h GLY 105 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1dwk h GLY 105 CO 0.00 -0.09 -0.55 -0.91 0.00 0.00 0.00 176.54 174.98 1dwk h THR 106 N -0.08 1.33 -0.49 4.70 1.35 -1.84 -1.38 112.91 116.49 1dwk h THR 106 Ca 0.07 -1.93 -0.09 0.00 -0.55 0.00 0.00 66.41 63.91 1dwk h THR 106 Cb 0.19 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 1dwk h THR 106 CO -0.17 0.54 -0.04 0.74 -0.25 0.00 0.00 175.52 176.34 1dwk h THR 107 N 0.00 1.27 -0.70 6.82 2.02 -1.64 -0.27 112.91 120.41 1dwk h THR 107 Ca -0.01 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1dwk h THR 107 Cb 1.02 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1dwk h THR 107 CO 0.07 0.40 0.40 -0.07 0.37 0.00 0.00 175.52 176.69 1dwk h LEU 108 N 0.75 0.86 -0.01 2.58 3.38 -0.51 0.15 115.31 122.52 1dwk h LEU 108 Ca 0.14 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1dwk h LEU 108 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1dwk h LEU 108 CO 0.03 0.70 -0.07 0.50 0.09 0.00 0.00 178.44 179.69 1dwk h LYS 109 N 0.96 -0.11 -0.52 1.13 3.64 -1.08 -0.21 116.57 120.38 1dwk h LYS 109 Ca 0.25 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1dwk h LYS 109 Cb 0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1dwk h LYS 109 CO -0.04 -0.08 0.19 0.00 -2.27 0.00 0.00 179.45 177.25 1dwk h ALA 110 N 0.88 0.68 -0.03 5.00 0.00 -0.59 -0.67 119.26 124.53 1dwk h ALA 110 Ca 0.03 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1dwk h ALA 110 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dwk h ALA 110 CO -0.08 0.31 -0.75 -0.07 0.00 0.00 0.00 179.25 178.67 1dwk h LEU 111 N 0.71 0.26 -0.67 0.00 3.38 -0.93 -1.04 115.31 117.02 1dwk h LEU 111 Ca 0.17 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1dwk h LEU 111 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1dwk h LEU 111 CO -0.01 0.91 0.03 0.58 0.09 0.00 0.00 178.44 180.05 1dwk h VAL 112 N 0.14 1.26 -0.33 1.22 2.07 -0.76 0.23 116.25 120.08 1dwk h VAL 112 Ca -0.03 -1.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1dwk h VAL 112 Cb 1.32 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1dwk h VAL 112 CO 0.11 0.41 -0.36 0.45 0.02 0.00 0.00 177.57 178.20 1dwk h HIS 113 N 0.98 0.91 -0.46 1.57 3.86 -0.92 -0.19 115.15 120.89 1dwk h HIS 113 Ca 0.18 -0.26 -0.13 0.00 -1.16 0.00 0.00 60.37 59.00 1dwk h HIS 113 Cb 0.52 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1dwk h HIS 113 CO 0.04 1.01 -0.24 1.49 0.86 0.00 0.00 177.93 181.09 1dwk h GLU 114 N 0.63 0.98 0.00 2.45 4.81 -0.96 -1.28 114.58 121.20 1dwk h GLU 114 Ca 0.06 -0.43 -0.23 0.00 -0.13 0.00 0.00 59.36 58.63 1dwk h GLU 114 Cb 0.91 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1dwk h GLU 114 CO 0.08 1.10 -1.27 0.87 -0.73 0.00 0.00 179.01 179.07 1dwk h LYS 115 N 0.82 0.00 0.00 1.92 1.57 -0.82 -3.42 116.57 116.64 1dwk h LYS 115 Ca 0.10 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1dwk h LYS 115 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1dwk h LYS 115 CO 0.07 0.68 -1.14 1.19 -0.57 0.00 0.00 179.45 179.69 1dwk n PHE 116 N -3.17 0.00 0.00 -1.35 3.01 -0.09 -5.09 117.46 110.76 1dwk n PHE 116 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1dwk n PHE 116 Cb 0.95 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 1dwk n PHE 116 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dwk n GLY 117 N 2.80 0.85 3.77 1.37 0.00 -0.49 -5.03 105.19 108.45 1dwk n GLY 117 Ca -0.07 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 1dwk n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dwk s ASP 118 N -4.00 5.89 0.00 1.61 -1.08 -1.26 -4.07 116.67 113.76 1dwk s ASP 118 Ca 0.00 2.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.42 1dwk s ASP 118 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1dwk s ASP 118 CO 0.00 -1.12 0.00 0.61 0.52 0.00 0.00 175.17 175.18 1dwk n GLY 119 N 0.48 0.60 3.27 2.66 0.00 -1.26 -1.50 105.19 109.44 1dwk n GLY 119 Ca 0.09 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 1dwk n GLY 119 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dwk s ILE 120 N -2.18 0.92 -0.25 -0.61 -4.36 -0.39 -4.88 121.20 109.45 1dwk s ILE 120 Ca 0.00 -2.02 -0.15 0.00 -0.26 0.00 0.00 60.65 58.22 1dwk s ILE 120 Cb 0.00 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1dwk s ILE 120 CO 0.00 -0.52 0.39 -0.63 0.24 0.00 0.00 174.94 174.42 1dwk s ILE 121 N -3.49 5.17 0.49 8.37 -1.09 -1.26 -0.93 121.20 128.46 1dwk s ILE 121 Ca 0.23 0.63 -0.23 0.00 -2.23 0.00 0.00 60.65 59.05 1dwk s ILE 121 Cb 0.05 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 1dwk s ILE 121 CO 0.04 0.17 1.27 -0.55 -1.23 0.00 0.00 174.94 174.64 1dwk s SER 122 N 1.50 5.77 -0.03 3.58 0.15 0.30 -4.92 113.70 120.05 1dwk s SER 122 Ca 0.16 2.55 0.20 0.00 0.70 0.00 0.00 55.95 59.56 1dwk s SER 122 Cb -0.16 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.17 1dwk s SER 122 CO 0.09 -1.21 1.54 0.00 1.20 0.00 0.00 173.24 174.86 1dwk n ALA 123 N -0.68 2.54 -0.00 5.45 0.00 -1.26 -4.39 120.51 122.18 1dwk n ALA 123 Ca 0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 53.44 52.11 1dwk n ALA 123 Cb 0.46 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 1dwk n ALA 123 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1dwk n ILE 124 N 1.38 0.65 -2.63 0.00 2.08 -1.26 -4.69 119.36 114.88 1dwk n ILE 124 Ca 0.24 0.11 -0.43 0.00 0.56 0.00 0.00 62.75 63.23 1dwk n ILE 124 Cb 0.68 -1.62 -0.01 0.00 -0.75 0.00 0.00 39.64 37.94 1dwk n ILE 124 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1dwk s ASN 125 N -5.62 6.78 -0.22 4.38 3.84 -1.26 -4.86 114.94 117.98 1dwk s ASN 125 Ca -0.05 -2.27 -0.26 0.00 0.21 0.00 0.00 52.86 50.48 1dwk s ASN 125 Cb 0.02 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.24 1dwk s ASN 125 CO 0.07 -1.20 0.71 0.12 -2.79 0.00 0.00 177.10 174.02 1dwk s PHE 126 N 4.05 -0.76 0.05 0.43 5.36 -1.26 -1.29 117.98 124.56 1dwk s PHE 126 Ca 0.50 1.73 -0.04 0.00 -0.96 0.00 0.00 56.93 58.16 1dwk s PHE 126 Cb 0.02 0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.98 1dwk s PHE 126 CO 0.02 -0.43 0.05 -1.59 -1.46 0.00 0.00 175.22 171.81 1dwk s LYS 127 N -0.01 0.62 0.09 10.12 -2.85 -0.29 -5.01 119.74 122.41 1dwk s LYS 127 Ca -0.03 -0.96 -0.00 0.00 -1.00 0.00 0.00 55.97 53.99 1dwk s LYS 127 Cb -0.04 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 1dwk s LYS 127 CO 0.03 -0.15 -0.02 -0.48 0.10 0.00 0.00 175.35 174.83 1dwk s LEU 128 N -2.51 2.34 0.10 2.77 0.05 -1.26 -0.93 118.68 119.24 1dwk s LEU 128 Ca 0.01 -1.05 -0.12 0.00 0.05 0.00 0.00 54.13 53.01 1dwk s LEU 128 Cb 0.03 0.12 0.02 0.00 -2.05 0.00 0.00 46.19 44.30 1dwk s LEU 128 CO -0.08 -0.58 0.29 1.51 -0.55 0.00 0.00 176.35 176.94 1dwk s ASP 129 N -3.00 -0.05 -0.12 1.48 -4.77 -1.03 -4.80 116.67 104.38 1dwk s ASP 129 Ca 0.13 -0.47 0.02 0.00 -3.30 0.00 0.00 52.55 48.93 1dwk s ASP 129 Cb 0.07 0.40 0.01 0.00 -1.09 0.00 0.00 42.92 42.31 1dwk s ASP 129 CO -0.05 -0.77 -0.18 -0.69 0.70 0.00 0.00 175.17 174.18 1dwk s VAL 130 N -3.70 1.73 0.05 2.11 1.01 -1.26 -1.39 120.40 118.96 1dwk s VAL 130 Ca 0.03 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.31 1dwk s VAL 130 Cb 0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1dwk s VAL 130 CO -0.11 0.49 -0.26 -0.54 0.00 0.00 0.00 175.10 174.68 1dwk s LYS 131 N 0.84 1.73 -0.21 2.72 -0.14 -0.31 -4.99 119.74 119.37 1dwk s LYS 131 Ca -0.09 -1.12 -0.08 0.00 -1.36 0.00 0.00 55.97 53.32 1dwk s LYS 131 Cb -0.16 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 1dwk s LYS 131 CO -0.00 0.49 0.09 0.21 -0.76 0.00 0.00 175.35 175.38 1dwk s LYS 132 N -1.31 3.94 0.09 1.68 2.20 -1.26 -1.19 119.74 123.89 1dwk s LYS 132 Ca 0.12 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1dwk s LYS 132 Cb -0.10 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1dwk s LYS 132 CO 0.02 0.12 -0.07 0.14 -0.36 0.00 0.00 175.35 175.21 1dwk s VAL 133 N 0.82 0.66 0.61 4.02 -7.23 -0.43 -4.99 120.40 113.86 1dwk s VAL 133 Ca 0.05 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1dwk s VAL 133 Cb -0.13 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 1dwk s VAL 133 CO 0.02 -0.85 1.23 0.00 -0.31 0.00 0.00 175.10 175.20 1dwk s ALA 134 N -3.48 2.49 -0.11 1.32 0.00 -1.26 -0.13 121.76 120.59 1dwk s ALA 134 Ca 0.10 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 1dwk s ALA 134 Cb 0.04 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1dwk s ALA 134 CO -0.05 -1.30 0.60 0.34 0.00 0.00 0.00 175.76 175.35 1dwk s ASP 135 N -1.57 6.82 0.58 0.00 -1.08 -0.32 -4.61 116.67 116.49 1dwk s ASP 135 Ca 0.78 0.98 0.29 0.00 -0.52 0.00 0.00 52.55 54.09 1dwk s ASP 135 Cb -0.32 -2.35 1.47 0.00 -1.46 0.00 0.00 42.92 40.26 1dwk s ASP 135 CO 0.35 -0.09 1.89 -0.65 0.52 0.00 0.00 175.17 177.19 1dwk h PRO 136 N 6.85 0.00 -0.11 4.34 0.11 -1.95 0.60 132.00 141.84 1dwk h PRO 136 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dwk h PRO 136 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dwk h PRO 136 CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 1dwk n GLU 137 N -3.81 1.68 0.00 1.05 1.02 -1.26 -5.04 120.64 114.29 1dwk n GLU 137 Ca 0.10 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1dwk n GLU 137 Cb 0.71 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1dwk n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dwk n GLY 138 N 1.14 3.00 5.28 0.62 0.00 0.20 -5.12 105.19 110.31 1dwk n GLY 138 Ca 0.17 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1dwk n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dwk n GLY 139 N 0.41 -1.59 3.11 -0.02 0.00 -1.26 -4.56 105.19 101.27 1dwk n GLY 139 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1dwk n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dwk s GLU 140 N 0.00 0.65 0.09 1.61 2.02 -1.26 -1.17 118.70 120.64 1dwk s GLU 140 Ca 0.00 -0.99 0.05 0.00 0.02 0.00 0.00 54.97 54.05 1dwk s GLU 140 Cb 0.00 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 1dwk s GLU 140 CO 0.00 0.03 -0.12 1.03 0.02 0.00 0.00 175.26 176.21 1dwk s ARG 141 N -2.47 0.85 -0.15 1.61 0.52 0.82 -4.68 118.95 115.45 1dwk s ARG 141 Ca -0.01 -1.07 -0.07 0.00 -0.52 0.00 0.00 55.73 54.06 1dwk s ARG 141 Cb -0.04 -0.71 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 1dwk s ARG 141 CO -0.02 0.14 0.10 0.00 0.02 0.00 0.00 175.30 175.54 1dwk s ALA 142 N -1.84 3.63 -0.29 2.13 0.00 -1.26 -1.31 121.76 122.82 1dwk s ALA 142 Ca 0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1dwk s ALA 142 Cb -0.07 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.17 1dwk s ALA 142 CO 0.02 0.39 -0.04 0.08 0.00 0.00 0.00 175.76 176.21 1dwk s VAL 143 N -0.30 2.74 -0.24 0.00 1.01 -0.34 -4.98 120.40 118.29 1dwk s VAL 143 Ca 0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 1dwk s VAL 143 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1dwk s VAL 143 CO 0.01 -0.07 -0.02 -0.63 0.00 0.00 0.00 175.10 174.40 1dwk s ILE 144 N 1.21 3.42 -0.24 2.22 1.01 -1.26 -1.16 121.20 126.40 1dwk s ILE 144 Ca -0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1dwk s ILE 144 Cb -0.20 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1dwk s ILE 144 CO -0.02 0.29 0.03 -0.89 0.00 0.00 0.00 174.94 174.35 1dwk s THR 145 N 1.45 3.94 -0.22 2.92 2.01 -0.49 -4.97 115.64 120.28 1dwk s THR 145 Ca 0.04 -0.32 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1dwk s THR 145 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1dwk s THR 145 CO -0.02 0.36 0.36 -0.76 -0.69 0.00 0.00 174.62 173.87 1dwk s LEU 146 N 1.56 4.13 -0.29 4.42 1.43 -1.26 -2.46 118.68 126.21 1dwk s LEU 146 Ca 0.06 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1dwk s LEU 146 Cb -0.15 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.72 1dwk s LEU 146 CO 0.01 -0.08 0.07 -0.62 0.23 0.00 0.00 176.35 175.96 1dwk s ASP 147 N 1.16 3.91 0.06 2.29 -1.08 -0.10 -5.02 116.67 117.89 1dwk s ASP 147 Ca 0.17 -1.51 0.06 0.00 -0.52 0.00 0.00 52.55 50.74 1dwk s ASP 147 Cb -0.15 -0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 40.37 1dwk s ASP 147 CO 0.08 -0.38 -0.16 -0.83 0.52 0.00 0.00 175.17 174.40 1dwk s GLY 148 N 1.57 0.91 0.32 2.66 0.00 -1.26 -1.14 107.32 110.39 1dwk s GLY 148 Ca 0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 1dwk s GLY 148 CO -0.19 -0.97 1.22 1.25 0.00 0.00 0.00 173.10 174.41 1dwk s LYS 149 N -1.47 4.44 -0.07 2.90 2.47 -0.41 -4.63 119.74 122.98 1dwk s LYS 149 Ca 0.02 2.04 -0.30 0.00 -1.56 0.00 0.00 55.97 56.17 1dwk s LYS 149 Cb -0.09 -3.09 -0.03 0.00 -1.46 0.00 0.00 37.83 33.16 1dwk s LYS 149 CO 0.02 -0.05 1.18 -0.47 0.16 0.00 0.00 175.35 176.20 1dwk s TYR 150 N -1.17 3.21 -0.19 4.03 5.04 -1.26 -0.54 117.35 126.47 1dwk s TYR 150 Ca 0.48 1.24 -0.01 0.00 -2.44 0.00 0.00 57.07 56.34 1dwk s TYR 150 Cb -0.36 -3.40 0.01 0.00 0.35 0.00 0.00 41.96 38.55 1dwk s TYR 150 CO 0.48 -1.22 -0.14 -0.51 -1.34 0.00 0.00 175.55 172.82 1dwk s LEU 151 N 2.26 2.45 0.39 6.97 1.43 -0.11 -4.97 118.68 127.11 1dwk s LEU 151 Ca 0.55 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 1dwk s LEU 151 Cb -0.24 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 1dwk s LEU 151 CO 0.21 0.00 0.96 -2.16 0.23 0.00 0.00 176.35 175.59 1dwk s PRO 152 N 1.30 4.33 -0.34 1.29 0.04 -1.26 -1.26 135.00 139.10 1dwk s PRO 152 Ca 0.04 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1dwk s PRO 152 Cb -0.14 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1dwk s PRO 152 CO -0.08 0.05 0.25 0.99 0.04 0.00 0.00 177.00 178.25 1dwk s THR 153 N -1.92 5.28 0.14 1.26 2.01 -0.56 -4.84 115.64 117.01 1dwk s THR 153 Ca 0.58 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.48 1dwk s THR 153 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1dwk s THR 153 CO 0.19 -0.01 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.30 1dwk s LYS 154 N 1.74 1.41 0.86 4.92 1.02 -1.26 -4.67 119.74 123.76 1dwk s LYS 154 Ca 0.06 -1.38 -0.12 0.00 0.02 0.00 0.00 55.97 54.55 1dwk s LYS 154 Cb -0.17 -1.87 0.10 0.00 -0.52 0.00 0.00 37.83 35.36 1dwk s LYS 154 CO 0.11 0.44 1.06 -2.30 -0.92 0.00 0.00 175.35 173.73 1dwk n PRO 155 N 0.79 -0.12 0.00 -1.68 -0.02 -1.26 -5.21 135.00 127.50 1dwk n PRO 155 Ca -0.17 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1dwk n PRO 155 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1dwk n PRO 155 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45