#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 0.50 0.08 9.51 -1.52 -1.26 -5.08 119.66 121.89 1dwk s GLN 3 Ca 0.00 -0.28 0.02 0.00 -1.95 0.00 0.00 55.36 53.16 1dwk s GLN 3 Cb 0.00 -0.47 -0.03 0.00 -0.22 0.00 0.00 33.01 32.29 1dwk s GLN 3 CO 0.00 0.12 -0.08 -1.54 -0.25 0.00 0.00 175.29 173.54 1dwk s SER 4 N -0.29 1.12 0.27 5.90 1.04 -1.26 -0.69 113.70 119.78 1dwk s SER 4 Ca 0.01 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.66 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 -0.31 0.46 -1.10 0.98 0.00 0.00 173.24 173.27 1dwk s GLN 5 N -2.70 3.51 0.00 4.02 -1.52 0.38 -4.88 119.66 118.47 1dwk s GLN 5 Ca 0.02 -0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 1dwk s GLN 5 Cb -0.03 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 30.00 1dwk s GLN 5 CO -0.02 0.29 0.09 0.44 -0.25 0.00 0.00 175.29 175.85 1dwk n ILE 6 N -1.20 0.00 -3.97 1.08 -5.35 -1.26 -4.09 119.36 104.57 1dwk n ILE 6 Ca -0.05 -0.34 -0.29 0.00 -0.27 0.00 0.00 62.75 61.80 1dwk n ILE 6 Cb 0.55 1.09 -0.16 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.48 2.84 0.56 7.28 2.47 -1.26 -4.96 114.94 121.39 1dwk s ASN 7 Ca 0.00 -0.61 0.29 0.00 0.42 0.00 0.00 52.86 52.97 1dwk s ASN 7 Cb 0.00 -1.09 1.67 0.00 -1.45 0.00 0.00 41.25 40.38 1dwk s ASN 7 CO 0.00 -0.12 2.17 0.08 -3.72 0.00 0.00 177.10 175.51 1dwk h ARG 8 N 8.06 0.00 0.00 0.43 0.11 -1.95 -2.95 114.38 118.08 1dwk h ARG 8 Ca -0.31 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.74 1dwk h ARG 8 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1dwk h ARG 8 CO 0.47 0.06 -0.14 -0.91 0.10 0.00 0.00 179.97 179.55 1dwk h ASN 9 N 0.00 0.00 0.24 0.08 2.35 -1.95 -0.11 115.58 116.19 1dwk h ASN 9 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1dwk h ASN 9 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1dwk h ASN 9 CO 0.01 0.14 -0.12 0.40 -1.65 0.00 0.00 177.43 176.21 1dwk h ILE 10 N 0.00 0.79 0.00 2.81 1.08 -1.96 -0.15 117.51 120.08 1dwk h ILE 10 Ca -0.00 -0.19 -0.11 0.00 -0.39 0.00 0.00 64.86 64.16 1dwk h ILE 10 Cb 0.33 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1dwk h ILE 10 CO 0.02 0.04 -0.55 0.03 -0.69 0.00 0.00 178.15 177.01 1dwk h ARG 11 N -0.42 0.00 -0.16 2.37 2.47 -1.72 -2.31 114.38 114.61 1dwk h ARG 11 Ca -0.03 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.56 1dwk h ARG 11 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1dwk h ARG 11 CO 0.06 0.55 -0.45 -0.07 0.56 0.00 0.00 179.97 180.61 1dwk h LEU 12 N 0.00 0.41 -0.68 3.04 3.38 -0.87 0.17 115.31 120.76 1dwk h LEU 12 Ca -0.01 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1dwk h LEU 12 Cb 1.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1dwk h LEU 12 CO 0.07 0.81 -0.03 0.44 0.09 0.00 0.00 178.44 179.82 1dwk h ASP 13 N 0.32 0.98 -0.28 -0.43 3.32 -0.93 -2.32 116.42 117.08 1dwk h ASP 13 Ca 0.02 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1dwk h ASP 13 Cb 0.91 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1dwk h ASP 13 CO 0.08 1.05 0.15 0.25 -1.72 0.00 0.00 179.24 179.04 1dwk h LEU 14 N 0.91 0.23 -0.80 1.55 5.85 -1.23 -2.07 115.31 119.75 1dwk h LEU 14 Ca 0.16 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.02 1dwk h LEU 14 Cb 0.57 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 1dwk h LEU 14 CO 0.03 0.17 0.39 0.00 -0.34 0.00 0.00 178.44 178.69 1dwk h ALA 15 N 1.13 1.18 -0.56 1.25 0.00 -0.55 0.12 119.26 121.83 1dwk h ALA 15 Ca 0.11 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1dwk h ALA 15 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dwk h ALA 15 CO -0.07 -0.12 0.22 -0.44 0.00 0.00 0.00 179.25 178.85 1dwk h ASP 16 N 0.57 0.78 -0.56 0.00 3.32 -0.90 0.14 116.42 119.77 1dwk h ASP 16 Ca 0.43 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1dwk h ASP 16 Cb 0.61 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1dwk h ASP 16 CO -0.36 0.74 0.15 0.00 -1.72 0.00 0.00 179.24 178.05 1dwk h ALA 17 N 1.07 0.74 -0.54 3.45 0.00 -0.71 -1.45 119.26 121.81 1dwk h ALA 17 Ca 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dwk h ALA 17 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1dwk h ALA 17 CO -0.01 0.43 0.35 0.82 0.00 0.00 0.00 179.25 180.84 1dwk h ILE 18 N 0.80 1.12 -0.30 0.00 2.04 -0.49 -0.55 117.51 120.12 1dwk h ILE 18 Ca 0.18 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1dwk h ILE 18 Cb 0.33 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1dwk h ILE 18 CO -0.00 0.13 -0.12 -0.07 0.00 0.00 0.00 178.15 178.09 1dwk h LEU 19 N 0.71 0.50 -0.21 1.44 3.38 -0.40 0.27 115.31 121.01 1dwk h LEU 19 Ca 0.21 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1dwk h LEU 19 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1dwk h LEU 19 CO -0.06 0.66 -0.38 0.25 0.09 0.00 0.00 178.44 179.00 1dwk h LEU 20 N 0.48 0.69 -0.05 1.67 5.85 -0.60 -1.60 115.31 121.74 1dwk h LEU 20 Ca 0.09 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1dwk h LEU 20 Cb 0.50 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1dwk h LEU 20 CO 0.03 1.10 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.89 1dwk h SER 21 N 0.31 -0.17 -0.56 1.25 0.87 -0.89 -0.27 113.55 114.08 1dwk h SER 21 Ca 0.01 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.72 1dwk h SER 21 Cb 0.97 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.92 1dwk h SER 21 CO 0.08 -0.08 -0.02 0.50 -0.53 0.00 0.00 176.83 176.78 1dwk h LYS 22 N -0.07 0.09 -0.40 2.24 3.64 -0.98 -0.70 116.57 120.40 1dwk h LYS 22 Ca 0.04 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1dwk h LYS 22 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1dwk h LYS 22 CO -0.10 0.06 -0.29 0.00 -2.27 0.00 0.00 179.45 176.85 1dwk h ALA 23 N 1.51 0.74 -0.42 5.00 0.00 -0.93 -1.23 119.26 123.94 1dwk h ALA 23 Ca 0.28 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1dwk h ALA 23 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dwk h ALA 23 CO -0.49 0.66 0.09 0.87 0.00 0.00 0.00 179.25 180.38 1dwk h LYS 24 N 0.72 0.62 -0.01 0.00 1.57 -0.70 -1.98 116.57 116.80 1dwk h LYS 24 Ca 0.08 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dwk h LYS 24 Cb 0.84 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1dwk h LYS 24 CO 0.07 0.57 -0.09 1.63 -0.57 0.00 0.00 179.45 181.06 1dwk n LYS 25 N -4.31 1.16 -3.76 3.15 5.02 -0.30 -4.95 118.16 114.17 1dwk n LYS 25 Ca 0.03 -0.58 -0.25 0.00 -2.02 0.00 0.00 58.31 55.49 1dwk n LYS 25 Cb 0.20 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.41 -3.27 -4.93 4.39 2.03 -0.56 -4.98 116.55 108.83 1dwk n ASP 26 Ca 0.17 -0.76 -0.26 0.00 0.52 0.00 0.00 54.79 54.46 1dwk n ASP 26 Cb 0.31 -4.18 -0.02 0.00 -0.72 0.00 0.00 41.12 36.51 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 -6.97 4.12 0.25 -2.67 1.43 -0.63 -5.03 118.68 109.17 1dwk s LEU 27 Ca 0.33 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1dwk s LEU 27 Cb -0.16 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1dwk s LEU 27 CO 0.80 -0.17 0.25 -0.94 0.23 0.00 0.00 176.35 176.53 1dwk s SER 28 N -3.48 5.80 0.29 2.29 1.04 -1.26 -4.81 113.70 113.56 1dwk s SER 28 Ca 0.40 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.73 1dwk s SER 28 Cb -0.10 -1.56 0.43 0.00 0.10 0.00 0.00 66.02 64.89 1dwk s SER 28 CO 0.32 -0.05 1.72 -0.26 0.98 0.00 0.00 173.24 175.95 1dwk h PHE 29 N 1.40 0.46 -0.57 5.02 0.04 -1.99 -1.53 116.94 119.77 1dwk h PHE 29 Ca -0.50 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.16 1dwk h PHE 29 Cb 1.23 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 1dwk h PHE 29 CO 0.52 0.67 0.33 0.00 -0.60 0.00 0.00 178.31 179.23 1dwk h ALA 30 N 1.33 0.72 -0.04 2.45 0.00 -1.95 -1.10 119.26 120.67 1dwk h ALA 30 Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1dwk h ALA 30 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1dwk h ALA 30 CO 0.05 0.22 -0.70 1.05 0.00 0.00 0.00 179.25 179.88 1dwk h GLU 31 N 0.76 0.20 -0.73 0.00 4.11 -1.87 -1.00 114.58 116.05 1dwk h GLU 31 Ca 0.20 -0.17 -0.06 0.00 0.07 0.00 0.00 59.36 59.40 1dwk h GLU 31 Cb 0.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1dwk h GLU 31 CO -0.04 0.82 0.21 0.82 0.07 0.00 0.00 179.01 180.89 1dwk h ILE 32 N 0.14 1.26 0.00 -1.06 2.04 -1.02 -2.63 117.51 116.24 1dwk h ILE 32 Ca -0.02 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 1dwk h ILE 32 Cb 1.24 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1dwk h ILE 32 CO 0.11 0.37 -0.44 0.00 0.00 0.00 0.00 178.15 178.18 1dwk h ALA 33 N 1.11 0.78 -2.03 1.87 0.00 -0.91 -3.45 119.26 116.62 1dwk h ALA 33 Ca 0.23 -0.40 -0.62 0.00 0.00 0.00 0.00 54.91 54.12 1dwk h ALA 33 Cb 0.33 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.12 1dwk h ALA 33 CO -0.00 0.55 0.55 -0.25 0.00 0.00 0.00 179.25 180.09 1dwk n ASP 34 N -3.30 2.27 0.00 0.00 8.00 -0.41 -2.38 116.55 120.73 1dwk n ASP 34 Ca 0.01 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1dwk n ASP 34 Cb 0.65 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1dwk n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dwk n GLY 35 N 2.57 1.09 0.12 0.44 0.00 -1.26 -4.88 105.19 103.27 1dwk n GLY 35 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1dwk n GLY 35 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dwk h THR 36 N 0.00 0.12 -0.14 2.61 2.02 -1.78 -3.48 112.91 112.25 1dwk h THR 36 Ca 0.00 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 65.90 1dwk h THR 36 Cb 0.00 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1dwk h THR 36 CO 0.00 0.07 -0.06 0.61 0.37 0.00 0.00 175.52 176.51 1dwk n GLY 37 N 1.21 0.57 3.35 2.16 0.00 -1.26 -4.87 105.19 106.35 1dwk n GLY 37 Ca -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.69 2.36 0.50 0.99 1.43 -1.26 -5.11 118.68 116.89 1dwk s LEU 38 Ca 0.00 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.10 1dwk s LEU 38 Cb 0.00 -1.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.14 1dwk s LEU 38 CO 0.00 0.08 1.38 0.00 0.23 0.00 0.00 176.35 178.05 1dwk s ALA 39 N -1.40 3.03 0.27 4.21 0.00 -1.26 -4.81 121.76 121.81 1dwk s ALA 39 Ca 0.13 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1dwk s ALA 39 Cb -0.09 -3.57 0.38 0.00 0.00 0.00 0.00 23.12 19.84 1dwk s ALA 39 CO 0.06 -1.25 1.92 1.05 0.00 0.00 0.00 175.76 177.54 1dwk h GLU 40 N 1.91 1.18 -0.79 0.00 4.11 -1.94 -0.63 114.58 118.42 1dwk h GLU 40 Ca -0.51 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 58.82 1dwk h GLU 40 Cb 1.28 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1dwk h GLU 40 CO 0.59 0.78 0.37 0.00 0.07 0.00 0.00 179.01 180.83 1dwk h ALA 41 N 1.44 1.16 -0.08 1.06 0.00 -1.90 0.53 119.26 121.46 1dwk h ALA 41 Ca 0.38 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1dwk h ALA 41 Cb -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1dwk h ALA 41 CO -0.11 0.63 -0.14 0.35 0.00 0.00 0.00 179.25 179.98 1dwk h PHE 42 N 1.13 0.30 -0.57 0.00 3.57 -1.65 -1.87 116.94 117.86 1dwk h PHE 42 Ca 0.27 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1dwk h PHE 42 Cb 0.13 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1dwk h PHE 42 CO 0.01 0.73 0.06 0.28 -2.23 0.00 0.00 178.31 177.17 1dwk h VAL 43 N -0.21 1.26 -0.52 1.41 2.07 -1.06 -1.47 116.25 117.72 1dwk h VAL 43 Ca 0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1dwk h VAL 43 Cb 0.71 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1dwk h VAL 43 CO 0.03 0.38 0.27 0.74 0.02 0.00 0.00 177.57 179.01 1dwk h THR 44 N 0.86 1.19 -1.00 2.57 2.02 -0.92 -1.60 112.91 116.03 1dwk h THR 44 Ca 0.17 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1dwk h THR 44 Cb 0.46 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 1dwk h THR 44 CO 0.02 0.20 0.66 0.00 0.37 0.00 0.00 175.52 176.77 1dwk h ALA 45 N 1.11 1.30 -0.13 6.16 0.00 -1.13 -1.24 119.26 125.33 1dwk h ALA 45 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dwk h ALA 45 Cb 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1dwk h ALA 45 CO -0.03 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.83 1dwk h ALA 46 N 1.39 0.13 -0.73 0.00 0.00 -0.70 0.17 119.26 119.53 1dwk h ALA 46 Ca 0.39 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.41 1dwk h ALA 46 Cb -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1dwk h ALA 46 CO -0.11 -0.43 0.48 -0.07 0.00 0.00 0.00 179.25 179.12 1dwk h LEU 47 N 0.08 0.59 -0.94 0.00 3.38 -0.70 -1.00 115.31 116.72 1dwk h LEU 47 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1dwk h LEU 47 Cb 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1dwk h LEU 47 CO -0.08 0.36 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1dwk n LEU 48 N -4.49 1.38 0.00 1.67 4.77 -0.53 -4.13 117.00 115.67 1dwk n LEU 48 Ca 0.12 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1dwk n LEU 48 Cb 0.31 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1dwk n LEU 48 CO 0.33 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1dwk n GLY 49 N 0.93 0.79 0.13 -0.72 0.00 -0.38 -4.82 105.19 101.11 1dwk n GLY 49 Ca 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.39 -0.32 -4.10 1.61 1.13 0.51 -4.68 117.38 109.14 1dwk n GLN 50 Ca 0.00 -0.75 -0.10 0.00 -1.94 0.00 0.00 57.00 54.21 1dwk n GLN 50 Cb 0.00 -1.06 -0.09 0.00 0.11 0.00 0.00 30.24 29.20 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 -0.31 1.04 -0.08 -1.09 -1.52 -1.22 -4.82 119.66 111.67 1dwk s GLN 51 Ca 0.04 -1.39 -0.02 0.00 -1.95 0.00 0.00 55.36 52.04 1dwk s GLN 51 Cb 0.03 0.29 -0.03 0.00 -0.22 0.00 0.00 33.01 33.07 1dwk s GLN 51 CO 0.04 -0.33 0.02 0.00 -0.25 0.00 0.00 175.29 174.78 1dwk s ALA 52 N -4.04 3.38 -0.04 6.09 0.00 -1.26 -4.32 121.76 121.57 1dwk s ALA 52 Ca 0.24 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 1dwk s ALA 52 Cb 0.06 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1dwk s ALA 52 CO 0.03 0.60 0.39 -0.51 0.00 0.00 0.00 175.76 176.27 1dwk s LEU 53 N -1.02 4.42 0.88 0.00 1.43 -0.38 -4.97 118.68 119.05 1dwk s LEU 53 Ca 0.15 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 53.99 1dwk s LEU 53 Cb -0.11 -2.54 0.10 0.00 0.03 0.00 0.00 46.19 43.66 1dwk s LEU 53 CO 0.04 0.27 1.01 -2.65 0.23 0.00 0.00 176.35 175.25 1dwk n PRO 54 N 2.21 -0.18 -0.32 1.29 -0.02 -1.26 -4.19 135.00 132.54 1dwk n PRO 54 Ca -0.13 0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.33 1dwk n PRO 54 Cb 0.52 -2.28 0.10 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.43 1.18 -0.36 3.55 0.00 -1.98 -0.38 119.26 119.84 1dwk h ALA 55 Ca -0.44 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1dwk h ALA 55 Cb 1.29 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1dwk h ALA 55 CO 0.42 0.66 -0.21 -0.44 0.00 0.00 0.00 179.25 179.67 1dwk h ASP 56 N 1.23 0.72 -0.04 0.00 3.32 -2.00 -0.22 116.42 119.43 1dwk h ASP 56 Ca 0.31 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 1dwk h ASP 56 Cb 0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1dwk h ASP 56 CO -0.05 0.92 -0.46 0.00 -1.72 0.00 0.00 179.24 177.93 1dwk h ALA 57 N 1.14 0.77 -0.68 3.45 0.00 -1.70 -0.53 119.26 121.71 1dwk h ALA 57 Ca 0.09 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1dwk h ALA 57 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1dwk h ALA 57 CO 0.05 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.17 1dwk h ALA 58 N 1.02 1.06 -0.47 0.00 0.00 -0.61 -1.00 119.26 119.26 1dwk h ALA 58 Ca 0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1dwk h ALA 58 Cb 0.99 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1dwk h ALA 58 CO 0.09 0.63 -0.25 0.00 0.00 0.00 0.00 179.25 179.72 1dwk h ARG 59 N 1.02 1.00 -0.04 0.00 3.08 -0.67 -0.69 114.38 118.08 1dwk h ARG 59 Ca 0.22 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1dwk h ARG 59 Cb 0.31 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1dwk h ARG 59 CO -0.01 1.12 0.01 1.25 -1.07 0.00 0.00 179.97 181.28 1dwk h LEU 60 N 0.85 0.05 -0.79 3.04 5.85 -0.81 -1.27 115.31 122.22 1dwk h LEU 60 Ca 0.10 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1dwk h LEU 60 Cb 0.83 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1dwk h LEU 60 CO 0.07 0.23 -0.21 -0.37 -0.34 0.00 0.00 178.44 177.83 1dwk h VAL 61 N -0.13 1.27 -0.86 1.05 -1.51 -1.22 -2.58 116.25 112.27 1dwk h VAL 61 Ca 0.01 -1.28 0.10 0.00 -1.23 0.00 0.00 66.70 64.30 1dwk h VAL 61 Cb 0.20 1.22 -0.07 0.00 -2.13 0.00 0.00 31.29 30.51 1dwk h VAL 61 CO -0.00 0.42 0.50 1.23 -1.23 0.00 0.00 177.57 178.49 1dwk h GLY 62 N 0.98 1.34 1.55 5.19 0.00 -0.99 -1.96 103.07 109.17 1dwk h GLY 62 Ca 0.09 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 1dwk h GLY 62 CO 0.05 0.14 -0.48 0.00 0.00 0.00 0.00 176.54 176.26 1dwk h ALA 63 N 1.46 0.82 -0.09 3.60 0.00 -0.94 0.16 119.26 124.27 1dwk h ALA 63 Ca 0.41 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1dwk h ALA 63 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dwk h ALA 63 CO -0.25 0.66 -0.27 0.87 0.00 0.00 0.00 179.25 180.27 1dwk h LYS 64 N 0.39 0.16 -0.27 0.00 1.57 -1.10 -2.76 116.57 114.56 1dwk h LYS 64 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dwk h LYS 64 Cb 0.99 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1dwk h LYS 64 CO 0.09 0.43 0.00 1.28 -0.57 0.00 0.00 179.45 180.68 1dwk n LEU 65 N -4.16 3.03 -3.67 2.94 4.77 -0.77 -4.98 117.00 114.16 1dwk n LEU 65 Ca -0.01 -1.43 -0.24 0.00 -0.03 0.00 0.00 56.01 54.30 1dwk n LEU 65 Cb 0.36 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1dwk n LEU 65 CO 0.39 0.64 0.14 0.47 -1.33 0.00 0.00 177.39 177.70 1dwk n ASP 66 N 1.15 -4.39 -4.82 -1.43 8.00 -0.34 -4.87 116.55 109.86 1dwk n ASP 66 Ca 0.15 -0.66 -0.33 0.00 0.71 0.00 0.00 54.79 54.65 1dwk n ASP 66 Cb 0.51 -4.60 -0.07 0.00 -0.02 0.00 0.00 41.12 36.94 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 -7.04 4.01 1.00 0.64 1.43 0.41 -5.04 118.68 114.09 1dwk s LEU 67 Ca 0.41 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 1dwk s LEU 67 Cb -0.19 -4.42 0.20 0.00 0.03 0.00 0.00 46.19 41.82 1dwk s LEU 67 CO 0.77 -0.30 1.24 1.51 0.23 0.00 0.00 176.35 179.80 1dwk s ASP 68 N -2.11 2.76 0.18 2.29 1.47 -1.26 -4.82 116.67 115.17 1dwk s ASP 68 Ca 0.60 0.46 -0.07 0.00 1.18 0.00 0.00 52.55 54.72 1dwk s ASP 68 Cb -0.10 -0.63 0.09 0.00 -0.34 0.00 0.00 42.92 41.93 1dwk s ASP 68 CO 0.15 -2.97 1.56 -0.33 0.68 0.00 0.00 175.17 174.25 1dwk h GLU 69 N -1.80 0.82 -0.74 2.11 4.39 -1.99 -1.84 114.58 115.52 1dwk h GLU 69 Ca -0.45 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 58.80 1dwk h GLU 69 Cb 1.26 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1dwk h GLU 69 CO 0.42 1.02 0.22 -0.44 -1.16 0.00 0.00 179.01 179.07 1dwk h ASP 70 N 0.69 1.09 -0.44 1.42 3.32 -1.99 -0.80 116.42 119.71 1dwk h ASP 70 Ca 0.07 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1dwk h ASP 70 Cb 0.87 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1dwk h ASP 70 CO 0.08 1.01 0.23 0.28 -1.72 0.00 0.00 179.24 179.11 1dwk h SER 71 N 1.10 0.56 -0.93 6.45 0.02 -1.87 0.11 113.55 119.00 1dwk h SER 71 Ca 0.24 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1dwk h SER 71 Cb 0.32 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1dwk h SER 71 CO -0.01 0.51 0.61 0.40 -1.14 0.00 0.00 176.83 177.21 1dwk h ILE 72 N 0.57 1.22 -0.36 3.27 2.04 -1.10 -1.21 117.51 121.93 1dwk h ILE 72 Ca 0.15 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1dwk h ILE 72 Cb 0.09 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.03 1dwk h ILE 72 CO -0.02 0.23 0.01 0.25 0.00 0.00 0.00 178.15 178.62 1dwk h LEU 73 N 1.23 0.62 -1.25 1.44 5.85 -0.82 -3.12 115.31 119.26 1dwk h LEU 73 Ca 0.35 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1dwk h LEU 73 Cb -0.11 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 1dwk h LEU 73 CO -0.08 0.77 0.52 -0.07 -0.34 0.00 0.00 178.44 179.24 1dwk h LEU 74 N 0.45 0.84 -2.53 2.25 3.38 -0.37 -1.00 115.31 118.34 1dwk h LEU 74 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dwk h LEU 74 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1dwk h LEU 74 CO 0.02 0.58 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 1dwk h LEU 75 N 0.97 0.00 -6.03 1.67 3.38 -1.17 -3.45 115.31 110.68 1dwk h LEU 75 Ca 0.32 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.55 1dwk h LEU 75 Cb 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 1dwk h LEU 75 CO -0.09 0.00 2.48 0.00 0.09 0.00 0.00 178.44 180.91 1dwk n GLN 76 N -3.06 3.75 -4.65 1.13 6.02 -0.38 -1.25 117.38 118.94 1dwk n GLN 76 Ca -0.02 -3.24 -0.33 0.00 -0.01 0.00 0.00 57.00 53.40 1dwk n GLN 76 Cb 0.13 -2.90 -0.14 0.00 1.02 0.00 0.00 30.24 28.35 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 0.61 3.01 0.61 5.09 -1.09 0.13 -4.66 121.20 124.90 1dwk s ILE 78 Ca 0.47 -0.66 -0.10 0.00 -2.23 0.00 0.00 60.65 58.13 1dwk s ILE 78 Cb 0.13 -2.28 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 1dwk s ILE 78 CO -0.04 0.51 0.99 -2.16 -1.23 0.00 0.00 174.94 173.01 1dwk s PRO 79 N 0.53 3.45 -0.79 2.79 0.04 -1.26 -0.47 135.00 139.29 1dwk s PRO 79 Ca -0.08 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1dwk s PRO 79 Cb -0.16 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 32.35 1dwk s PRO 79 CO 0.04 -0.58 1.05 -1.17 0.04 0.00 0.00 177.00 176.38 1dwk s LEU 80 N -5.12 4.66 0.60 -3.56 1.98 -1.26 -4.75 118.68 111.23 1dwk s LEU 80 Ca 0.54 -1.47 -0.15 0.00 -2.89 0.00 0.00 54.13 50.16 1dwk s LEU 80 Cb -0.11 -2.41 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1dwk s LEU 80 CO 0.52 -1.28 1.04 -0.13 -1.89 0.00 0.00 176.35 174.61 1dwk s ARG 81 N 3.48 3.40 0.00 1.98 0.52 -1.26 -4.46 118.95 122.61 1dwk s ARG 81 Ca 0.27 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.56 1dwk s ARG 81 Cb -0.11 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1dwk s ARG 81 CO 0.01 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.00 1dwk n GLY 82 N -1.39 2.24 0.03 -3.53 0.00 -1.26 -5.05 105.19 96.22 1dwk n GLY 82 Ca 0.08 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.16 4.92 0.10 0.00 1.01 -1.26 -4.96 121.20 117.85 1dwk s ILE 84 Ca 0.05 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.15 1dwk s ILE 84 Cb 0.15 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 38.31 1dwk s ILE 84 CO 0.79 0.13 1.62 -0.78 0.00 0.00 0.00 174.94 176.71 1dwk h ASP 85 N 6.96 -0.88 -1.89 3.58 3.58 -1.90 -3.36 116.42 122.53 1dwk h ASP 85 Ca -0.37 0.08 -0.53 0.00 0.42 0.00 0.00 57.03 56.63 1dwk h ASP 85 Cb 1.18 0.30 -0.36 0.00 1.72 0.00 0.00 39.33 42.16 1dwk h ASP 85 CO 0.79 -0.46 -1.03 -0.67 -2.88 0.00 0.00 179.24 174.99 1dwk n ASP 86 N -5.44 -0.24 0.00 2.28 2.03 -1.26 -5.03 116.55 108.89 1dwk n ASP 86 Ca -0.09 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1dwk n ASP 86 Cb 0.34 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 1.69 0.00 -4.38 -0.67 1.74 -1.26 -4.74 116.66 109.05 1dwk n ARG 87 Ca 0.21 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.96 1dwk n ARG 87 Cb 0.53 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.84 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 3.57 0.51 0.55 -1.09 -1.26 -5.02 121.20 118.45 1dwk s ILE 88 Ca 0.00 -0.46 -0.23 0.00 -2.23 0.00 0.00 60.65 57.72 1dwk s ILE 88 Cb 0.00 -2.56 -0.06 0.00 -1.58 0.00 0.00 42.46 38.25 1dwk s ILE 88 CO 0.00 0.48 1.40 -2.84 -1.23 0.00 0.00 174.94 172.76 1dwk s PRO 89 N 0.64 3.37 -0.00 2.79 0.02 -1.26 -4.88 135.00 135.67 1dwk s PRO 89 Ca -0.04 2.35 0.20 0.00 0.02 0.00 0.00 61.00 63.54 1dwk s PRO 89 Cb -0.15 -2.44 -0.22 0.00 0.02 0.00 0.00 34.50 31.71 1dwk s PRO 89 CO 0.02 -1.05 0.57 0.25 -0.33 0.00 0.00 177.00 176.46 1dwk n THR 90 N -0.66 0.63 -2.54 0.99 -2.24 -1.26 -4.70 114.28 104.49 1dwk n THR 90 Ca 0.08 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 1dwk n THR 90 Cb 0.43 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -5.12 7.27 0.25 3.42 2.15 -1.26 -4.88 116.67 118.50 1dwk s ASP 91 Ca -0.06 1.99 -0.04 0.00 0.43 0.00 0.00 52.55 54.87 1dwk s ASP 91 Cb 0.11 -2.59 0.39 0.00 -0.30 0.00 0.00 42.92 40.52 1dwk s ASP 91 CO 0.85 -0.25 1.84 -0.65 -0.17 0.00 0.00 175.17 176.79 1dwk h PRO 92 N 5.68 0.91 -0.11 4.34 0.11 -2.05 0.33 132.00 141.22 1dwk h PRO 92 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dwk h PRO 92 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1dwk h PRO 92 CO 0.74 0.60 0.00 2.41 -0.21 0.00 0.00 178.00 181.55 1dwk n THR 93 N -4.65 0.00 0.00 -1.15 -1.04 -1.26 -1.91 114.28 104.27 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 0.23 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.21 0.00 -0.25 -1.42 9.36 0.12 -4.15 117.16 121.02 1dwk n TYR 95 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 1dwk n TYR 95 Cb 0.03 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.69 -0.23 2.98 2.47 -1.64 0.14 114.38 118.79 1dwk h ARG 96 Ca 0.00 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1dwk h ARG 96 Cb 0.00 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1dwk h ARG 96 CO 0.00 0.46 -0.22 0.74 0.56 0.00 0.00 179.97 181.51 1dwk h PHE 97 N 0.71 0.46 -0.50 3.04 0.04 -1.87 -2.77 116.94 116.05 1dwk h PHE 97 Ca 0.42 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 61.00 1dwk h PHE 97 Cb 0.63 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1dwk h PHE 97 CO -0.00 0.61 -0.13 -0.92 -0.60 0.00 0.00 178.31 177.27 1dwk h TYR 98 N 0.38 1.05 0.00 -0.55 3.20 -1.45 -2.98 116.97 116.61 1dwk h TYR 98 Ca 0.06 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 1dwk h TYR 98 Cb 0.59 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1dwk h TYR 98 CO 0.02 1.00 0.08 -1.91 -1.64 0.00 0.00 178.16 175.70 1dwk n GLU 99 N -4.14 0.36 0.00 1.82 2.13 0.30 -1.34 120.64 119.77 1dwk n GLU 99 Ca 0.01 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1dwk n GLU 99 Cb 0.40 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.67 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 2.16 0.00 -0.07 4.31 7.94 -1.13 -0.88 117.00 129.33 1dwk n LEU 101 Ca 0.04 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.92 1dwk n LEU 101 Cb 0.17 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.37 1dwk n LEU 101 CO 0.06 0.00 0.96 1.56 -1.11 0.00 0.00 177.39 178.87 1dwk h GLN 102 N 0.00 0.69 0.18 1.96 1.08 -1.52 0.14 115.11 117.63 1dwk h GLN 102 Ca 0.00 -0.14 -0.28 0.00 -1.45 0.00 0.00 58.65 56.78 1dwk h GLN 102 Cb 0.00 -0.10 0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1dwk h GLN 102 CO 0.00 0.65 -1.33 0.28 -0.95 0.00 0.00 178.83 177.48 1dwk h VAL 103 N 0.66 1.22 -0.10 -0.54 2.07 -1.30 -3.41 116.25 114.85 1dwk h VAL 103 Ca 0.15 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1dwk h VAL 103 Cb 0.30 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1dwk h VAL 103 CO 0.00 0.77 0.00 -1.22 0.02 0.00 0.00 177.57 177.14 1dwk n TYR 104 N -3.86 0.13 -0.19 1.57 4.01 -1.22 -4.70 117.16 112.89 1dwk n TYR 104 Ca -0.20 -0.18 -0.07 0.00 -0.16 0.00 0.00 57.90 57.29 1dwk n TYR 104 Cb 0.97 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 40.01 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 1.60 0.82 2.00 2.72 0.00 -0.96 0.29 103.07 109.53 1dwk h GLY 105 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1dwk h GLY 105 CO 0.00 0.38 -0.49 -0.91 0.00 0.00 0.00 176.54 175.52 1dwk h THR 106 N 0.72 1.10 -0.38 4.70 1.35 -1.84 -2.09 112.91 116.48 1dwk h THR 106 Ca 0.19 -1.86 -0.14 0.00 -0.55 0.00 0.00 66.41 64.05 1dwk h THR 106 Cb 0.10 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1dwk h THR 106 CO -0.03 0.48 -0.33 0.74 -0.25 0.00 0.00 175.52 176.14 1dwk h THR 107 N 0.00 1.28 -0.48 6.82 2.02 -1.63 -0.37 112.91 120.55 1dwk h THR 107 Ca -0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1dwk h THR 107 Cb 1.04 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1dwk h THR 107 CO 0.06 0.50 0.32 -0.07 0.37 0.00 0.00 175.52 176.70 1dwk h LEU 108 N 0.72 0.56 0.04 2.58 3.38 -0.27 0.31 115.31 122.62 1dwk h LEU 108 Ca 0.07 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1dwk h LEU 108 Cb 0.90 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1dwk h LEU 108 CO 0.08 0.40 -0.21 0.50 0.09 0.00 0.00 178.44 179.31 1dwk h LYS 109 N 0.66 -0.34 -0.12 1.13 3.64 -1.21 -0.46 116.57 119.87 1dwk h LYS 109 Ca 0.18 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1dwk h LYS 109 Cb -0.08 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1dwk h LYS 109 CO -0.04 -0.23 0.08 0.00 -2.27 0.00 0.00 179.45 176.99 1dwk h ALA 110 N 0.51 0.15 -0.07 5.00 0.00 -0.80 -1.11 119.26 122.94 1dwk h ALA 110 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1dwk h ALA 110 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1dwk h ALA 110 CO -0.16 -0.36 -0.62 -0.07 0.00 0.00 0.00 179.25 178.04 1dwk h LEU 111 N 0.16 0.29 -0.56 0.00 3.38 -0.90 -1.19 115.31 116.49 1dwk h LEU 111 Ca 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1dwk h LEU 111 Cb -0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1dwk h LEU 111 CO -0.01 0.83 0.28 0.58 0.09 0.00 0.00 178.44 180.21 1dwk h VAL 112 N 0.18 1.20 -0.62 1.22 2.07 -0.93 0.03 116.25 119.40 1dwk h VAL 112 Ca -0.01 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1dwk h VAL 112 Cb 1.13 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1dwk h VAL 112 CO 0.10 0.22 0.07 0.45 0.02 0.00 0.00 177.57 178.43 1dwk h HIS 113 N 0.75 1.12 -0.23 1.57 3.86 -1.08 -0.96 115.15 120.18 1dwk h HIS 113 Ca 0.19 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1dwk h HIS 113 Cb 0.10 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1dwk h HIS 113 CO -0.01 0.97 0.12 1.49 0.86 0.00 0.00 177.93 181.36 1dwk h GLU 114 N 0.95 0.33 0.08 2.45 4.81 -1.02 -1.06 114.58 121.12 1dwk h GLU 114 Ca 0.18 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.11 1dwk h GLU 114 Cb 0.47 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1dwk h GLU 114 CO 0.02 0.31 -1.14 0.87 -0.73 0.00 0.00 179.01 178.34 1dwk h LYS 115 N 0.26 0.45 0.00 1.92 1.57 -0.89 -3.41 116.57 116.47 1dwk h LYS 115 Ca 0.08 -0.59 -0.18 0.00 -1.87 0.00 0.00 60.65 58.08 1dwk h LYS 115 Cb 0.08 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1dwk h LYS 115 CO -0.01 1.24 -1.62 1.19 -0.57 0.00 0.00 179.45 179.68 1dwk n PHE 116 N -3.70 0.00 0.00 -1.35 3.01 -0.37 -5.10 117.46 109.94 1dwk n PHE 116 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1dwk n PHE 116 Cb 0.94 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 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 2.41 0.72 3.76 1.37 0.00 -0.40 -5.03 105.19 108.01 1dwk n GLY 117 Ca -0.21 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.33 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 -3.32 5.79 0.00 1.61 -1.08 -1.26 -4.05 116.67 114.36 1dwk s ASP 118 Ca 0.00 2.73 0.00 0.00 -0.52 0.00 0.00 52.55 54.76 1dwk s ASP 118 Cb 0.00 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1dwk s ASP 118 CO 0.00 -1.21 0.00 0.61 0.52 0.00 0.00 175.17 175.09 1dwk n GLY 119 N 0.63 0.66 3.21 2.66 0.00 -1.26 -1.47 105.19 109.62 1dwk n GLY 119 Ca 0.07 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.51 0.70 -0.24 -0.61 -4.36 -0.28 -4.88 121.20 109.02 1dwk s ILE 120 Ca 0.00 -1.96 -0.15 0.00 -0.26 0.00 0.00 60.65 58.28 1dwk s ILE 120 Cb 0.00 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 1dwk s ILE 120 CO 0.00 -0.68 0.36 -0.63 0.24 0.00 0.00 174.94 174.23 1dwk s ILE 121 N -3.63 5.20 0.43 8.37 -1.09 -1.26 -1.06 121.20 128.16 1dwk s ILE 121 Ca 0.18 0.58 -0.25 0.00 -2.23 0.00 0.00 60.65 58.93 1dwk s ILE 121 Cb 0.05 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1dwk s ILE 121 CO -0.00 0.21 1.21 -0.55 -1.23 0.00 0.00 174.94 174.58 1dwk s SER 122 N 1.38 6.29 -0.01 3.58 0.15 0.11 -4.93 113.70 120.27 1dwk s SER 122 Ca 0.16 2.44 0.22 0.00 0.70 0.00 0.00 55.95 59.46 1dwk s SER 122 Cb -0.15 -2.62 0.65 0.00 -1.71 0.00 0.00 66.02 62.19 1dwk s SER 122 CO 0.09 -0.84 1.54 0.00 1.20 0.00 0.00 173.24 175.23 1dwk n ALA 123 N -0.14 2.41 -0.02 5.45 0.00 -1.26 -4.41 120.51 122.54 1dwk n ALA 123 Ca 0.05 -1.32 -0.06 0.00 0.00 0.00 0.00 53.44 52.11 1dwk n ALA 123 Cb 0.46 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 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 1.61 0.71 -2.61 0.00 2.08 -1.26 -4.71 119.36 115.18 1dwk n ILE 124 Ca 0.24 0.04 -0.42 0.00 0.56 0.00 0.00 62.75 63.17 1dwk n ILE 124 Cb 0.63 -1.67 -0.01 0.00 -0.75 0.00 0.00 39.64 37.85 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 -5.77 6.74 -0.27 4.38 3.84 -1.26 -4.86 114.94 117.73 1dwk s ASN 125 Ca -0.10 -2.15 -0.25 0.00 0.21 0.00 0.00 52.86 50.57 1dwk s ASN 125 Cb 0.03 -2.56 0.10 0.00 -0.55 0.00 0.00 41.25 38.27 1dwk s ASN 125 CO 0.13 -1.25 0.91 0.12 -2.79 0.00 0.00 177.10 174.22 1dwk s PHE 126 N 4.26 -0.59 0.08 0.43 5.36 -1.26 -1.47 117.98 124.80 1dwk s PHE 126 Ca 0.50 1.43 -0.04 0.00 -0.96 0.00 0.00 56.93 57.86 1dwk s PHE 126 Cb 0.02 0.33 -0.02 0.00 -0.34 0.00 0.00 43.02 43.01 1dwk s PHE 126 CO 0.01 -0.29 0.09 -1.59 -1.46 0.00 0.00 175.22 171.98 1dwk s LYS 127 N 0.24 0.77 0.05 10.12 -2.85 -0.12 -5.01 119.74 122.95 1dwk s LYS 127 Ca 0.02 -1.14 -0.02 0.00 -1.00 0.00 0.00 55.97 53.83 1dwk s LYS 127 Cb -0.05 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1dwk s LYS 127 CO -0.03 -0.21 -0.01 -0.48 0.10 0.00 0.00 175.35 174.72 1dwk s LEU 128 N -2.91 2.38 0.04 2.77 0.05 -1.26 -1.27 118.68 118.47 1dwk s LEU 128 Ca 0.09 -0.94 -0.09 0.00 0.05 0.00 0.00 54.13 53.24 1dwk s LEU 128 Cb 0.06 0.27 0.00 0.00 -2.05 0.00 0.00 46.19 44.47 1dwk s LEU 128 CO -0.08 -0.59 0.18 1.51 -0.55 0.00 0.00 176.35 176.82 1dwk s ASP 129 N -2.82 0.06 -0.15 1.48 -4.77 -1.01 -4.84 116.67 104.62 1dwk s ASP 129 Ca 0.05 -0.41 0.02 0.00 -3.30 0.00 0.00 52.55 48.92 1dwk s ASP 129 Cb 0.07 0.28 0.01 0.00 -1.09 0.00 0.00 42.92 42.19 1dwk s ASP 129 CO -0.09 -0.56 -0.20 -0.69 0.70 0.00 0.00 175.17 174.32 1dwk s VAL 130 N -2.66 2.19 0.02 2.11 1.01 -1.26 -1.43 120.40 120.37 1dwk s VAL 130 Ca -0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1dwk s VAL 130 Cb -0.01 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1dwk s VAL 130 CO -0.04 0.54 -0.24 -0.54 0.00 0.00 0.00 175.10 174.82 1dwk s LYS 131 N 0.86 1.76 -0.15 2.72 1.02 -0.08 -5.00 119.74 120.88 1dwk s LYS 131 Ca -0.06 -0.96 -0.13 0.00 0.02 0.00 0.00 55.97 54.84 1dwk s LYS 131 Cb -0.15 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 1dwk s LYS 131 CO -0.03 0.48 0.28 0.21 -0.92 0.00 0.00 175.35 175.38 1dwk s LYS 132 N -0.93 4.20 -0.02 1.68 2.20 -1.26 -0.91 119.74 124.69 1dwk s LYS 132 Ca 0.10 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1dwk s LYS 132 Cb -0.09 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1dwk s LYS 132 CO 0.01 0.28 -0.09 0.08 -0.36 0.00 0.00 175.35 175.27 1dwk s VAL 133 N 0.33 0.78 0.41 4.02 1.01 -0.25 -4.97 120.40 121.73 1dwk s VAL 133 Ca 0.16 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1dwk s VAL 133 Cb -0.13 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1dwk s VAL 133 CO 0.04 0.24 1.30 0.00 0.00 0.00 0.00 175.10 176.68 1dwk s ALA 134 N 0.09 3.24 0.01 5.51 0.00 -1.26 0.10 121.76 129.45 1dwk s ALA 134 Ca -0.01 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.96 1dwk s ALA 134 Cb -0.07 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1dwk s ALA 134 CO 0.00 -0.84 0.65 0.34 0.00 0.00 0.00 175.76 175.92 1dwk s ASP 135 N -0.76 7.06 0.44 0.00 -1.08 -0.36 -4.73 116.67 117.24 1dwk s ASP 135 Ca 0.58 1.26 0.29 0.00 -0.52 0.00 0.00 52.55 54.15 1dwk s ASP 135 Cb -0.38 -2.40 1.05 0.00 -1.46 0.00 0.00 42.92 39.73 1dwk s ASP 135 CO 0.48 0.07 1.84 1.55 0.52 0.00 0.00 175.17 179.64 1dwk h PRO 136 N 5.63 0.00 -0.01 4.34 0.13 -1.94 -0.90 132.00 139.25 1dwk h PRO 136 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1dwk h PRO 136 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1dwk h PRO 136 CO 0.70 0.00 -0.10 0.39 -0.23 0.00 0.00 178.00 178.76 1dwk n GLU 137 N -2.83 1.15 0.00 0.86 1.02 -1.26 -5.00 120.64 114.57 1dwk n GLU 137 Ca 0.02 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 1dwk n GLU 137 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.23 3.56 2.33 0.62 0.00 -0.34 -5.14 105.19 107.45 1dwk n GLY 138 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.52 -1.79 3.12 -0.02 0.00 -1.26 -4.59 105.19 100.14 1dwk n GLY 139 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 0.69 0.09 1.61 2.02 -1.26 -1.22 118.70 120.62 1dwk s GLU 140 Ca 0.00 -0.98 0.06 0.00 0.02 0.00 0.00 54.97 54.08 1dwk s GLU 140 Cb 0.00 -0.40 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 1dwk s GLU 140 CO 0.00 0.06 -0.16 1.03 0.02 0.00 0.00 175.26 176.21 1dwk s ARG 141 N -2.27 0.93 -0.17 1.61 0.52 0.12 -4.73 118.95 114.96 1dwk s ARG 141 Ca -0.02 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 54.07 1dwk s ARG 141 Cb -0.06 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.36 1dwk s ARG 141 CO -0.00 0.23 0.09 0.00 0.02 0.00 0.00 175.30 175.64 1dwk s ALA 142 N -1.30 3.57 -0.34 2.13 0.00 -1.26 -1.09 121.76 123.47 1dwk s ALA 142 Ca 0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 1dwk s ALA 142 Cb -0.10 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 21.07 1dwk s ALA 142 CO 0.03 0.26 0.11 0.08 0.00 0.00 0.00 175.76 176.24 1dwk s VAL 143 N 0.09 3.77 -0.29 0.00 1.01 -0.09 -4.97 120.40 119.92 1dwk s VAL 143 Ca 0.07 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1dwk s VAL 143 Cb -0.12 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1dwk s VAL 143 CO -0.00 -0.19 0.08 -0.63 0.00 0.00 0.00 175.10 174.37 1dwk s ILE 144 N 1.40 4.05 -0.28 2.22 1.09 -1.26 -0.90 121.20 127.51 1dwk s ILE 144 Ca -0.02 -0.61 -0.09 0.00 -1.10 0.00 0.00 60.65 58.83 1dwk s ILE 144 Cb -0.20 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 1dwk s ILE 144 CO 0.03 0.11 0.14 -0.89 -0.10 0.00 0.00 174.94 174.23 1dwk s THR 145 N 1.52 4.76 -0.25 2.92 2.01 -0.52 -4.97 115.64 121.12 1dwk s THR 145 Ca 0.03 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.78 1dwk s THR 145 Cb -0.17 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1dwk s THR 145 CO 0.03 0.20 0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 1dwk s LEU 146 N 1.66 3.94 -0.30 4.42 1.43 -1.26 -2.39 118.68 126.18 1dwk s LEU 146 Ca 0.06 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1dwk s LEU 146 Cb -0.16 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.10 1dwk s LEU 146 CO 0.07 0.03 0.11 -0.62 0.23 0.00 0.00 176.35 176.17 1dwk s ASP 147 N 1.28 3.75 0.09 2.29 -1.08 -0.40 -5.02 116.67 117.58 1dwk s ASP 147 Ca 0.07 -1.44 0.07 0.00 -0.52 0.00 0.00 52.55 50.72 1dwk s ASP 147 Cb -0.14 -0.61 -0.03 0.00 -1.46 0.00 0.00 42.92 40.67 1dwk s ASP 147 CO 0.06 -0.42 -0.18 -0.83 0.52 0.00 0.00 175.17 174.31 1dwk s GLY 148 N 1.85 1.10 0.36 2.66 0.00 -1.26 -0.94 107.32 111.09 1dwk s GLY 148 Ca 0.09 -1.15 -0.27 0.00 0.00 0.00 0.00 44.72 43.40 1dwk s GLY 148 CO -0.30 -1.16 1.15 1.25 0.00 0.00 0.00 173.10 174.05 1dwk s LYS 149 N -1.81 4.25 0.02 2.90 2.20 -0.54 -4.64 119.74 122.13 1dwk s LYS 149 Ca 0.03 1.84 -0.30 0.00 -0.36 0.00 0.00 55.97 57.18 1dwk s LYS 149 Cb -0.10 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1dwk s LYS 149 CO 0.03 -0.15 1.05 -0.47 -0.36 0.00 0.00 175.35 175.46 1dwk s TYR 150 N -1.34 3.59 -0.19 4.03 5.04 -1.26 -0.71 117.35 126.50 1dwk s TYR 150 Ca 0.53 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.74 1dwk s TYR 150 Cb -0.31 -3.22 0.03 0.00 0.35 0.00 0.00 41.96 38.81 1dwk s TYR 150 CO 0.40 -0.43 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.49 1dwk s LEU 151 N 0.99 2.30 0.44 6.97 1.43 -0.22 -4.97 118.68 125.62 1dwk s LEU 151 Ca 0.54 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1dwk s LEU 151 Cb -0.24 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.43 1dwk s LEU 151 CO 0.28 -0.04 0.98 -2.16 0.23 0.00 0.00 176.35 175.64 1dwk s PRO 152 N 1.28 4.10 -0.36 1.29 0.04 -1.26 -1.13 135.00 138.96 1dwk s PRO 152 Ca 0.03 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 1dwk s PRO 152 Cb -0.14 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 1dwk s PRO 152 CO -0.11 -0.15 0.50 0.99 0.04 0.00 0.00 177.00 178.26 1dwk s THR 153 N -2.09 5.03 0.16 1.26 2.01 -0.54 -4.85 115.64 116.62 1dwk s THR 153 Ca 0.63 0.24 0.11 0.00 0.31 0.00 0.00 61.69 62.98 1dwk s THR 153 Cb -0.12 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1dwk s THR 153 CO 0.16 -0.24 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.09 1dwk s LYS 154 N 2.35 1.60 0.74 4.92 1.02 -1.26 -4.68 119.74 124.44 1dwk s LYS 154 Ca 0.18 -1.39 -0.15 0.00 0.02 0.00 0.00 55.97 54.62 1dwk s LYS 154 Cb -0.16 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1dwk s LYS 154 CO 0.13 0.43 1.14 -2.30 -0.92 0.00 0.00 175.35 173.84 1dwk n PRO 155 N 0.48 0.51 0.00 -1.68 -0.02 -1.26 -5.21 135.00 127.83 1dwk n PRO 155 Ca -0.14 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1dwk n PRO 155 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1dwk n PRO 155 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45