#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 0.88 0.06 9.51 -1.52 -1.26 -5.08 119.66 122.25 1dwk s GLN 3 Ca 0.00 -0.57 0.02 0.00 -1.95 0.00 0.00 55.36 52.85 1dwk s GLN 3 Cb 0.00 -0.85 -0.03 0.00 -0.22 0.00 0.00 33.01 31.90 1dwk s GLN 3 CO 0.00 0.22 -0.07 -1.54 -0.25 0.00 0.00 175.29 173.66 1dwk s SER 4 N -0.72 0.85 0.22 5.90 1.04 -1.26 -0.88 113.70 118.85 1dwk s SER 4 Ca 0.02 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.78 1dwk s SER 4 Cb -0.06 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 1dwk s SER 4 CO 0.00 -0.33 0.31 -1.10 0.98 0.00 0.00 173.24 173.11 1dwk s GLN 5 N -2.44 3.34 0.00 4.02 -1.52 0.17 -4.87 119.66 118.36 1dwk s GLN 5 Ca -0.03 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 1dwk s GLN 5 Cb -0.04 -2.84 0.00 0.00 -0.22 0.00 0.00 33.01 29.91 1dwk s GLN 5 CO -0.02 0.44 0.11 0.44 -0.25 0.00 0.00 175.29 176.01 1dwk n ILE 6 N -1.18 0.00 -3.91 1.08 -5.35 -1.26 -3.92 119.36 104.82 1dwk n ILE 6 Ca -0.08 -0.25 -0.29 0.00 -0.27 0.00 0.00 62.75 61.86 1dwk n ILE 6 Cb 0.56 1.23 -0.16 0.00 -1.74 0.00 0.00 39.64 39.54 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 -0.27 3.26 0.60 7.28 2.47 -1.26 -4.95 114.94 122.08 1dwk s ASN 7 Ca 0.00 -0.88 0.32 0.00 0.42 0.00 0.00 52.86 52.72 1dwk s ASN 7 Cb 0.00 -1.03 1.93 0.00 -1.45 0.00 0.00 41.25 40.70 1dwk s ASN 7 CO 0.00 -0.20 2.27 0.08 -3.72 0.00 0.00 177.10 175.53 1dwk h ARG 8 N 8.05 0.00 0.00 0.43 0.11 -1.95 -2.93 114.38 118.09 1dwk h ARG 8 Ca -0.22 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 1dwk h ARG 8 Cb 1.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 1dwk h ARG 8 CO 0.41 0.00 -0.12 -0.91 0.10 0.00 0.00 179.97 179.46 1dwk h ASN 9 N 0.00 0.00 0.15 0.08 2.35 -1.95 -1.33 115.58 114.88 1dwk h ASN 9 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1dwk h ASN 9 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1dwk h ASN 9 CO -0.00 0.12 -0.08 0.40 -1.65 0.00 0.00 177.43 176.22 1dwk h ILE 10 N 0.00 0.83 -0.00 2.81 1.08 -1.95 0.06 117.51 120.34 1dwk h ILE 10 Ca -0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 1dwk h ILE 10 Cb 0.39 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1dwk h ILE 10 CO 0.01 0.00 -0.73 0.03 -0.69 0.00 0.00 178.15 176.78 1dwk h ARG 11 N -0.21 0.01 -0.23 2.37 2.47 -1.71 -2.01 114.38 115.06 1dwk h ARG 11 Ca -0.02 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.54 1dwk h ARG 11 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1dwk h ARG 11 CO 0.03 0.73 -0.46 -0.07 0.56 0.00 0.00 179.97 180.76 1dwk h LEU 12 N 0.01 0.65 -0.73 3.04 3.38 -1.16 0.81 115.31 121.30 1dwk h LEU 12 Ca -0.01 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 1dwk h LEU 12 Cb 1.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1dwk h LEU 12 CO 0.10 1.02 0.03 0.44 0.09 0.00 0.00 178.44 180.12 1dwk h ASP 13 N 0.48 0.97 -0.53 -0.43 3.32 -0.87 -2.10 116.42 117.27 1dwk h ASP 13 Ca 0.03 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1dwk h ASP 13 Cb 0.99 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1dwk h ASP 13 CO 0.09 1.01 0.27 0.25 -1.72 0.00 0.00 179.24 179.13 1dwk h LEU 14 N 0.93 0.69 -0.89 1.55 5.85 -1.06 -2.04 115.31 120.34 1dwk h LEU 14 Ca 0.18 -0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.93 1dwk h LEU 14 Cb 0.49 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 1dwk h LEU 14 CO 0.02 0.61 0.48 0.00 -0.34 0.00 0.00 178.44 179.22 1dwk h ALA 15 N 1.10 1.36 -0.53 1.25 0.00 -0.50 0.10 119.26 122.05 1dwk h ALA 15 Ca 0.18 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1dwk h ALA 15 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dwk h ALA 15 CO -0.03 -0.05 -0.09 -0.44 0.00 0.00 0.00 179.25 178.64 1dwk h ASP 16 N 0.68 0.97 -0.58 0.00 3.32 -0.72 0.35 116.42 120.43 1dwk h ASP 16 Ca 0.48 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1dwk h ASP 16 Cb 0.68 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1dwk h ASP 16 CO -0.36 1.07 0.21 0.00 -1.72 0.00 0.00 179.24 178.45 1dwk h ALA 17 N 1.02 0.76 -0.61 3.45 0.00 -0.76 -1.84 119.26 121.28 1dwk h ALA 17 Ca 0.14 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1dwk h ALA 17 Cb 0.63 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1dwk h ALA 17 CO 0.04 0.39 0.32 0.82 0.00 0.00 0.00 179.25 180.83 1dwk h ILE 18 N 0.81 0.94 -0.52 0.00 2.04 -0.55 -1.13 117.51 119.10 1dwk h ILE 18 Ca 0.19 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1dwk h ILE 18 Cb 0.23 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1dwk h ILE 18 CO -0.01 0.11 -0.04 -0.07 0.00 0.00 0.00 178.15 178.13 1dwk h LEU 19 N 0.59 0.90 -0.55 1.44 3.38 -0.53 0.12 115.31 120.67 1dwk h LEU 19 Ca 0.28 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1dwk h LEU 19 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1dwk h LEU 19 CO -0.19 0.99 -0.09 0.25 0.09 0.00 0.00 178.44 179.49 1dwk h LEU 20 N 0.84 1.03 -0.34 1.67 5.85 -0.89 -1.28 115.31 122.18 1dwk h LEU 20 Ca 0.15 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1dwk h LEU 20 Cb 0.56 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1dwk h LEU 20 CO 0.03 1.13 0.16 -1.28 -0.34 0.00 0.00 178.44 178.14 1dwk h SER 21 N 0.91 0.46 -0.90 1.25 0.87 -0.98 -0.74 113.55 114.42 1dwk h SER 21 Ca 0.14 -0.14 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1dwk h SER 21 Cb 0.66 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 1dwk h SER 21 CO 0.05 0.47 0.55 0.50 -0.53 0.00 0.00 176.83 177.87 1dwk h LYS 22 N 0.42 0.92 -0.25 2.24 3.64 -0.72 -1.71 116.57 121.11 1dwk h LYS 22 Ca 0.12 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1dwk h LYS 22 Cb 0.14 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1dwk h LYS 22 CO -0.01 0.61 -0.29 0.00 -2.27 0.00 0.00 179.45 177.49 1dwk h ALA 23 N 1.46 0.37 -0.70 5.00 0.00 -0.65 -1.70 119.26 123.04 1dwk h ALA 23 Ca 0.42 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1dwk h ALA 23 Cb 0.30 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1dwk h ALA 23 CO -0.22 0.39 0.46 0.87 0.00 0.00 0.00 179.25 180.75 1dwk h LYS 24 N 0.35 0.72 -0.01 0.00 1.57 -0.68 -1.79 116.57 116.74 1dwk h LYS 24 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dwk h LYS 24 Cb 0.86 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1dwk h LYS 24 CO 0.07 0.47 -0.02 1.63 -0.57 0.00 0.00 179.45 181.03 1dwk n LYS 25 N -4.48 1.19 -3.82 3.15 5.02 -0.68 -4.96 118.16 113.58 1dwk n LYS 25 Ca 0.10 -0.40 -0.29 0.00 -2.02 0.00 0.00 58.31 55.70 1dwk n LYS 25 Cb 0.21 -1.49 0.03 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 -0.56 -5.03 -4.87 4.39 2.03 -0.67 -4.95 116.55 106.90 1dwk n ASP 26 Ca 0.20 -0.71 -0.32 0.00 0.52 0.00 0.00 54.79 54.48 1dwk n ASP 26 Cb 0.23 -4.01 -0.05 0.00 -0.72 0.00 0.00 41.12 36.57 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 -7.24 4.14 0.16 -2.67 1.43 -0.72 -5.04 118.68 108.74 1dwk s LEU 27 Ca 0.64 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1dwk s LEU 27 Cb -0.31 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1dwk s LEU 27 CO 0.79 -0.11 0.33 -0.94 0.23 0.00 0.00 176.35 176.65 1dwk s SER 28 N -2.37 6.37 0.31 2.29 1.04 -1.26 -4.82 113.70 115.26 1dwk s SER 28 Ca 0.49 0.32 0.02 0.00 0.48 0.00 0.00 55.95 57.26 1dwk s SER 28 Cb -0.11 -1.98 0.51 0.00 0.10 0.00 0.00 66.02 64.54 1dwk s SER 28 CO 0.21 0.02 1.85 -0.26 0.98 0.00 0.00 173.24 176.04 1dwk h PHE 29 N 2.22 0.69 -0.74 5.02 0.04 -1.99 -1.38 116.94 120.81 1dwk h PHE 29 Ca -0.48 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.27 1dwk h PHE 29 Cb 1.19 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 39.09 1dwk h PHE 29 CO 0.56 0.62 0.46 0.00 -0.60 0.00 0.00 178.31 179.34 1dwk h ALA 30 N 1.43 0.98 -0.10 2.45 0.00 -1.95 -1.84 119.26 120.23 1dwk h ALA 30 Ca 0.14 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1dwk h ALA 30 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1dwk h ALA 30 CO 0.00 0.23 -0.62 1.05 0.00 0.00 0.00 179.25 179.91 1dwk h GLU 31 N 0.88 0.36 -0.78 0.00 4.11 -1.89 -1.01 114.58 116.25 1dwk h GLU 31 Ca 0.31 -0.25 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 1dwk h GLU 31 Cb 0.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1dwk h GLU 31 CO -0.13 0.86 0.34 0.82 0.07 0.00 0.00 179.01 180.97 1dwk h ILE 32 N 0.26 1.25 0.00 -1.06 2.04 -0.96 -2.58 117.51 116.47 1dwk h ILE 32 Ca -0.01 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1dwk h ILE 32 Cb 1.15 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1dwk h ILE 32 CO 0.10 0.32 -0.10 0.00 0.00 0.00 0.00 178.15 178.47 1dwk h ALA 33 N 1.17 0.95 -2.16 1.87 0.00 -1.16 -3.45 119.26 116.49 1dwk h ALA 33 Ca 0.26 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.57 1dwk h ALA 33 Cb 0.18 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.02 1dwk h ALA 33 CO -0.03 0.00 0.75 -3.47 0.00 0.00 0.00 179.25 176.50 1dwk n ASP 34 N -3.03 2.85 0.00 0.00 2.03 -0.40 -1.81 116.55 116.19 1dwk n ASP 34 Ca 0.04 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1dwk n ASP 34 Cb 0.53 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 3.30 1.28 0.10 0.27 0.00 -1.26 -4.88 105.19 103.99 1dwk n GLY 35 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.67 -3.47 112.91 111.73 1dwk h THR 36 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1dwk h THR 36 Cb 0.00 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 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 1.24 1.44 3.44 5.82 0.00 -1.26 -4.87 105.19 110.99 1dwk n GLY 37 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 2.51 0.49 0.99 1.43 -1.26 -5.11 118.68 117.73 1dwk s LEU 38 Ca 0.00 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.20 1dwk s LEU 38 Cb 0.00 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.79 1dwk s LEU 38 CO 0.00 0.17 1.22 0.00 0.23 0.00 0.00 176.35 177.98 1dwk s ALA 39 N -1.16 2.92 0.38 4.21 0.00 -1.26 -4.83 121.76 122.02 1dwk s ALA 39 Ca 0.16 1.06 0.09 0.00 0.00 0.00 0.00 51.96 53.27 1dwk s ALA 39 Cb -0.10 -3.44 0.83 0.00 0.00 0.00 0.00 23.12 20.41 1dwk s ALA 39 CO 0.08 -0.88 1.95 1.05 0.00 0.00 0.00 175.76 177.96 1dwk h GLU 40 N 1.85 0.63 -0.62 0.00 4.11 -1.92 -1.19 114.58 117.45 1dwk h GLU 40 Ca -0.50 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 58.82 1dwk h GLU 40 Cb 1.26 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1dwk h GLU 40 CO 0.59 0.42 0.07 0.00 0.07 0.00 0.00 179.01 180.17 1dwk h ALA 41 N 1.63 0.97 -0.08 1.06 0.00 -1.91 -0.05 119.26 120.87 1dwk h ALA 41 Ca 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dwk h ALA 41 Cb 0.42 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dwk h ALA 41 CO -0.11 0.64 -0.11 0.35 0.00 0.00 0.00 179.25 180.02 1dwk h PHE 42 N 0.95 0.26 -0.44 0.00 3.57 -1.60 -1.87 116.94 117.81 1dwk h PHE 42 Ca 0.19 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1dwk h PHE 42 Cb 0.45 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1dwk h PHE 42 CO 0.03 0.69 0.19 0.28 -2.23 0.00 0.00 178.31 177.27 1dwk h VAL 43 N -0.23 1.20 -0.58 1.41 2.07 -1.25 -1.30 116.25 117.55 1dwk h VAL 43 Ca 0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1dwk h VAL 43 Cb 0.66 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1dwk h VAL 43 CO 0.03 0.22 0.37 0.74 0.02 0.00 0.00 177.57 178.94 1dwk h THR 44 N 0.58 1.17 -0.94 2.57 2.02 -1.08 -1.06 112.91 116.16 1dwk h THR 44 Ca 0.15 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1dwk h THR 44 Cb 0.16 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1dwk h THR 44 CO -0.01 0.17 0.62 0.00 0.37 0.00 0.00 175.52 176.66 1dwk h ALA 45 N 1.19 1.39 -0.35 6.16 0.00 -0.99 -1.50 119.26 125.15 1dwk h ALA 45 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dwk h ALA 45 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1dwk h ALA 45 CO -0.04 0.53 0.20 0.00 0.00 0.00 0.00 179.25 179.93 1dwk h ALA 46 N 1.45 0.45 -1.00 0.00 0.00 -0.67 0.21 119.26 119.69 1dwk h ALA 46 Ca 0.37 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1dwk h ALA 46 Cb -0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 1dwk h ALA 46 CO -0.11 -0.03 0.63 -0.07 0.00 0.00 0.00 179.25 179.67 1dwk h LEU 47 N 0.44 0.88 -1.59 0.00 3.38 -0.50 -1.78 115.31 116.15 1dwk h LEU 47 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1dwk h LEU 47 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dwk h LEU 47 CO -0.02 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.13 1dwk n LEU 48 N -4.65 2.33 0.00 1.67 4.77 -0.63 -4.12 117.00 116.37 1dwk n LEU 48 Ca 0.20 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1dwk n LEU 48 Cb 0.41 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1dwk n LEU 48 CO 0.26 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1dwk n GLY 49 N 0.79 0.77 0.20 -0.72 0.00 -0.67 -4.81 105.19 100.74 1dwk n GLY 49 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.44 0.24 -4.11 1.61 1.13 0.69 -4.70 117.38 109.79 1dwk n GLN 50 Ca 0.00 -0.95 -0.11 0.00 -1.94 0.00 0.00 57.00 54.01 1dwk n GLN 50 Cb 0.00 -1.09 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 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 -0.49 1.23 -0.10 -1.09 -1.52 -1.21 -4.80 119.66 111.69 1dwk s GLN 51 Ca 0.06 -1.45 -0.00 0.00 -1.95 0.00 0.00 55.36 52.01 1dwk s GLN 51 Cb 0.04 0.33 -0.03 0.00 -0.22 0.00 0.00 33.01 33.13 1dwk s GLN 51 CO 0.06 -0.43 -0.07 0.00 -0.25 0.00 0.00 175.29 174.60 1dwk s ALA 52 N -4.09 2.94 0.04 6.09 0.00 -1.26 -4.25 121.76 121.23 1dwk s ALA 52 Ca 0.30 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1dwk s ALA 52 Cb 0.05 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 1dwk s ALA 52 CO 0.08 0.44 0.41 -0.51 0.00 0.00 0.00 175.76 176.18 1dwk s LEU 53 N -0.36 4.41 0.80 0.00 1.43 -0.24 -4.98 118.68 119.74 1dwk s LEU 53 Ca 0.05 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 53.91 1dwk s LEU 53 Cb -0.12 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1dwk s LEU 53 CO 0.02 0.25 0.97 -2.65 0.23 0.00 0.00 176.35 175.17 1dwk n PRO 54 N 1.38 0.17 -0.26 1.29 -0.02 -1.26 -4.18 135.00 132.12 1dwk n PRO 54 Ca -0.11 0.12 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1dwk n PRO 54 Cb 0.52 -2.24 0.15 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.84 1.06 -0.61 3.55 0.00 -1.97 -0.81 119.26 119.64 1dwk h ALA 55 Ca -0.46 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1dwk h ALA 55 Cb 1.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1dwk h ALA 55 CO 0.44 0.01 0.17 -0.44 0.00 0.00 0.00 179.25 179.42 1dwk h ASP 56 N 0.67 0.90 -0.49 0.00 3.32 -1.99 -0.61 116.42 118.23 1dwk h ASP 56 Ca 0.37 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1dwk h ASP 56 Cb 0.37 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1dwk h ASP 56 CO -0.26 0.89 0.06 0.00 -1.72 0.00 0.00 179.24 178.21 1dwk h ALA 57 N 1.05 0.65 -0.43 3.45 0.00 -1.78 -0.59 119.26 121.61 1dwk h ALA 57 Ca 0.19 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1dwk h ALA 57 Cb 0.32 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1dwk h ALA 57 CO -0.00 0.40 0.15 0.00 0.00 0.00 0.00 179.25 179.79 1dwk h ALA 58 N 0.96 0.50 -0.76 0.00 0.00 -0.86 -0.29 119.26 118.81 1dwk h ALA 58 Ca 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1dwk h ALA 58 Cb 0.42 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1dwk h ALA 58 CO 0.01 -0.25 0.25 0.00 0.00 0.00 0.00 179.25 179.27 1dwk h ARG 59 N 0.31 1.17 -0.07 0.00 3.08 -0.92 -0.32 114.38 117.63 1dwk h ARG 59 Ca 0.20 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1dwk h ARG 59 Cb 0.20 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1dwk h ARG 59 CO -0.21 0.98 -0.00 1.25 -1.07 0.00 0.00 179.97 180.92 1dwk h LEU 60 N 1.13 0.13 -1.60 3.04 5.85 -0.74 -1.16 115.31 121.96 1dwk h LEU 60 Ca 0.25 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1dwk h LEU 60 Cb 0.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1dwk h LEU 60 CO -0.01 0.42 -0.09 -0.37 -0.34 0.00 0.00 178.44 178.05 1dwk h VAL 61 N -0.16 1.13 -0.57 1.05 -1.51 -1.10 -2.04 116.25 113.05 1dwk h VAL 61 Ca 0.02 -0.54 -0.08 0.00 -1.23 0.00 0.00 66.70 64.86 1dwk h VAL 61 Cb 0.36 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 1dwk h VAL 61 CO 0.00 0.17 0.03 1.23 -1.23 0.00 0.00 177.57 177.77 1dwk h GLY 62 N 0.53 1.06 0.97 5.19 0.00 -0.86 -1.14 103.07 108.83 1dwk h GLY 62 Ca 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1dwk h GLY 62 CO 0.01 0.70 0.25 0.00 0.00 0.00 0.00 176.54 177.51 1dwk h ALA 63 N 0.98 0.62 -0.25 3.60 0.00 -0.78 0.13 119.26 123.55 1dwk h ALA 63 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dwk h ALA 63 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dwk h ALA 63 CO 0.02 0.16 -0.06 0.87 0.00 0.00 0.00 179.25 180.25 1dwk h LYS 64 N 0.64 0.39 -0.30 0.00 1.57 -0.97 -3.10 116.57 114.80 1dwk h LYS 64 Ca 0.17 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1dwk h LYS 64 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1dwk h LYS 64 CO -0.02 0.47 0.00 1.28 -0.57 0.00 0.00 179.45 180.60 1dwk n LEU 65 N -4.28 3.16 -3.60 2.94 4.77 -0.47 -4.98 117.00 114.54 1dwk n LEU 65 Ca 0.00 -1.45 -0.23 0.00 -0.03 0.00 0.00 56.01 54.30 1dwk n LEU 65 Cb 0.25 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1dwk n LEU 65 CO 0.38 0.67 0.23 -0.67 -1.33 0.00 0.00 177.39 176.67 1dwk n ASP 66 N 1.25 -5.83 -4.82 -1.43 2.03 0.32 -4.87 116.55 103.20 1dwk n ASP 66 Ca 0.16 -0.56 -0.34 0.00 0.52 0.00 0.00 54.79 54.57 1dwk n ASP 66 Cb 0.54 -4.99 -0.07 0.00 -0.72 0.00 0.00 41.12 35.88 1dwk n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dwk s LEU 67 N -7.21 4.07 0.98 -2.67 1.43 -0.48 -5.04 118.68 109.76 1dwk s LEU 67 Ca 0.52 1.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1dwk s LEU 67 Cb -0.23 -4.25 0.19 0.00 0.03 0.00 0.00 46.19 41.93 1dwk s LEU 67 CO 0.73 -0.24 1.22 1.51 0.23 0.00 0.00 176.35 179.81 1dwk s ASP 68 N -2.08 2.90 0.28 2.29 1.47 -1.26 -4.82 116.67 115.44 1dwk s ASP 68 Ca 0.56 0.56 0.04 0.00 1.18 0.00 0.00 52.55 54.90 1dwk s ASP 68 Cb -0.11 -0.81 0.40 0.00 -0.34 0.00 0.00 42.92 42.05 1dwk s ASP 68 CO 0.16 -2.89 1.68 -0.33 0.68 0.00 0.00 175.17 174.47 1dwk h GLU 69 N -1.74 0.33 -0.19 2.11 4.39 -1.99 -1.36 114.58 116.12 1dwk h GLU 69 Ca -0.46 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 58.96 1dwk h GLU 69 Cb 1.28 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1dwk h GLU 69 CO 0.46 0.68 -0.39 -0.44 -1.16 0.00 0.00 179.01 178.15 1dwk h ASP 70 N 0.28 0.46 -0.40 1.42 3.32 -1.99 -0.91 116.42 118.60 1dwk h ASP 70 Ca 0.03 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1dwk h ASP 70 Cb 0.83 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1dwk h ASP 70 CO 0.07 0.81 -0.18 0.28 -1.72 0.00 0.00 179.24 178.50 1dwk h SER 71 N 0.36 0.84 -0.70 6.45 0.02 -1.83 0.14 113.55 118.83 1dwk h SER 71 Ca 0.03 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1dwk h SER 71 Cb 0.85 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1dwk h SER 71 CO 0.07 1.06 0.44 0.40 -1.14 0.00 0.00 176.83 177.66 1dwk h ILE 72 N 0.63 1.19 -0.60 3.27 2.04 -1.05 -1.77 117.51 121.22 1dwk h ILE 72 Ca 0.09 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1dwk h ILE 72 Cb 0.73 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1dwk h ILE 72 CO 0.06 0.19 0.19 0.25 0.00 0.00 0.00 178.15 178.83 1dwk h LEU 73 N 0.95 0.87 -1.10 1.44 5.85 -0.81 -3.02 115.31 119.48 1dwk h LEU 73 Ca 0.25 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1dwk h LEU 73 Cb -0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1dwk h LEU 73 CO -0.05 0.85 0.23 -0.07 -0.34 0.00 0.00 178.44 179.06 1dwk h LEU 74 N 0.85 0.80 -1.83 2.25 3.38 -0.31 -1.88 115.31 118.57 1dwk h LEU 74 Ca 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1dwk h LEU 74 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dwk h LEU 74 CO -0.01 0.72 0.00 -0.07 0.09 0.00 0.00 178.44 179.17 1dwk h LEU 75 N 0.86 0.00 -6.43 1.67 3.38 -1.20 -3.45 115.31 110.13 1dwk h LEU 75 Ca 0.20 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.41 1dwk h LEU 75 Cb 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.76 1dwk h LEU 75 CO -0.02 0.00 1.86 0.00 0.09 0.00 0.00 178.44 180.38 1dwk n GLN 76 N -2.81 3.86 -4.62 1.13 6.02 -0.71 -1.08 117.38 119.18 1dwk n GLN 76 Ca -0.01 -3.69 -0.33 0.00 -0.01 0.00 0.00 57.00 52.96 1dwk n GLN 76 Cb 0.17 -2.83 -0.16 0.00 1.02 0.00 0.00 30.24 28.45 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 -0.30 2.46 0.55 5.09 -1.09 -0.06 -4.66 121.20 123.19 1dwk s ILE 78 Ca 0.39 -0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 57.83 1dwk s ILE 78 Cb 0.10 -2.02 -0.06 0.00 -1.58 0.00 0.00 42.46 38.90 1dwk s ILE 78 CO 0.01 0.53 0.99 -2.16 -1.23 0.00 0.00 174.94 173.08 1dwk s PRO 79 N 0.77 3.80 -0.67 2.79 0.04 -1.26 -0.65 135.00 139.81 1dwk s PRO 79 Ca -0.07 0.84 -0.25 0.00 0.04 0.00 0.00 61.00 61.56 1dwk s PRO 79 Cb -0.16 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.30 1dwk s PRO 79 CO 0.00 -0.38 1.11 -1.17 0.04 0.00 0.00 177.00 176.60 1dwk s LEU 80 N -4.51 3.77 0.54 -3.56 1.98 -1.25 -4.75 118.68 110.90 1dwk s LEU 80 Ca 0.57 -0.58 -0.16 0.00 -2.89 0.00 0.00 54.13 51.07 1dwk s LEU 80 Cb -0.10 -2.61 -0.06 0.00 0.66 0.00 0.00 46.19 44.08 1dwk s LEU 80 CO 0.40 -1.57 1.01 -0.13 -1.89 0.00 0.00 176.35 174.17 1dwk s ARG 81 N 4.79 3.75 0.00 1.98 0.52 -1.26 -4.48 118.95 124.25 1dwk s ARG 81 Ca 0.30 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 1dwk s ARG 81 Cb -0.12 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1dwk s ARG 81 CO 0.15 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.44 1dwk n GLY 82 N -1.44 2.08 0.09 -3.53 0.00 -1.26 -5.06 105.19 96.07 1dwk n GLY 82 Ca 0.07 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.28 4.88 0.12 0.00 1.01 -1.26 -4.96 121.20 117.71 1dwk s ILE 84 Ca 0.02 1.69 -0.20 0.00 0.00 0.00 0.00 60.65 62.16 1dwk s ILE 84 Cb 0.11 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 1dwk s ILE 84 CO 0.77 0.27 1.76 -0.78 0.00 0.00 0.00 174.94 176.95 1dwk h ASP 85 N 6.38 0.13 -1.19 3.58 3.58 -1.90 -3.37 116.42 123.63 1dwk h ASP 85 Ca -0.42 0.01 -0.42 0.00 0.42 0.00 0.00 57.03 56.62 1dwk h ASP 85 Cb 1.21 -0.02 -0.29 0.00 1.72 0.00 0.00 39.33 41.95 1dwk h ASP 85 CO 0.74 0.10 -0.86 -0.67 -2.88 0.00 0.00 179.24 175.67 1dwk n ASP 86 N -5.01 -1.09 0.00 2.28 2.03 -1.26 -5.03 116.55 108.46 1dwk n ASP 86 Ca -0.04 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1dwk n ASP 86 Cb 0.05 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 1.52 0.00 -4.15 -0.67 1.74 -1.26 -4.74 116.66 109.11 1dwk n ARG 87 Ca 0.16 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.90 1dwk n ARG 87 Cb 0.57 -0.04 -0.14 0.00 -1.02 0.00 0.00 32.46 31.83 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 3.26 0.55 0.55 -1.09 -1.26 -5.02 121.20 118.19 1dwk s ILE 88 Ca 0.00 -0.55 -0.21 0.00 -2.23 0.00 0.00 60.65 57.66 1dwk s ILE 88 Cb 0.00 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 1dwk s ILE 88 CO 0.00 0.46 1.29 -2.65 -1.23 0.00 0.00 174.94 172.81 1dwk n PRO 89 N 4.41 1.54 -0.01 2.79 -0.02 -1.26 -4.88 135.00 137.56 1dwk n PRO 89 Ca -0.18 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 1dwk n PRO 89 Cb 0.51 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 1dwk n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1dwk n THR 90 N -1.15 0.78 -2.47 3.45 -2.24 -1.26 -4.69 114.28 106.71 1dwk n THR 90 Ca 0.11 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1dwk n THR 90 Cb 0.45 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -5.23 7.19 0.23 3.42 2.15 -1.26 -4.89 116.67 118.29 1dwk s ASP 91 Ca -0.06 2.08 -0.07 0.00 0.43 0.00 0.00 52.55 54.92 1dwk s ASP 91 Cb 0.10 -2.60 0.25 0.00 -0.30 0.00 0.00 42.92 40.37 1dwk s ASP 91 CO 0.85 -0.32 1.88 -0.65 -0.17 0.00 0.00 175.17 176.76 1dwk h PRO 92 N 5.65 1.03 -0.01 4.34 0.11 -2.05 0.28 132.00 141.35 1dwk h PRO 92 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.75 0.68 0.00 2.41 -0.21 0.00 0.00 178.00 181.63 1dwk n THR 93 N -4.56 0.00 0.00 -1.15 -1.04 -1.26 -2.07 114.28 104.20 1dwk n THR 93 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1dwk n THR 93 Cb 0.08 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.05 0.00 -0.24 -1.42 9.36 0.98 -4.25 117.16 121.64 1dwk n TYR 95 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1dwk n TYR 95 Cb 0.00 0.00 0.39 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 0.64 -0.27 2.98 2.47 -1.67 0.15 114.38 118.67 1dwk h ARG 96 Ca 0.00 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 1dwk h ARG 96 Cb 0.00 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 1dwk h ARG 96 CO 0.00 0.42 -0.26 0.74 0.56 0.00 0.00 179.97 181.43 1dwk h PHE 97 N 0.66 0.61 -0.47 3.04 0.04 -1.88 -2.78 116.94 116.15 1dwk h PHE 97 Ca 0.42 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.99 1dwk h PHE 97 Cb 0.68 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1dwk h PHE 97 CO -0.00 0.75 0.03 -0.92 -0.60 0.00 0.00 178.31 177.57 1dwk h TYR 98 N 0.47 0.88 0.00 -0.55 3.20 -1.47 -2.92 116.97 116.57 1dwk h TYR 98 Ca 0.07 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1dwk h TYR 98 Cb 0.71 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1dwk h TYR 98 CO 0.03 0.83 0.00 -1.91 -1.64 0.00 0.00 178.16 175.46 1dwk n GLU 99 N -4.39 0.00 0.00 1.82 2.13 0.34 -1.43 120.64 119.11 1dwk n GLU 99 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1dwk n GLU 99 Cb 0.28 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.50 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 1.84 0.00 0.09 4.31 7.94 -1.11 -1.06 117.00 129.02 1dwk n LEU 101 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 1dwk n LEU 101 Cb 0.00 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.42 1dwk n LEU 101 CO 0.00 0.00 1.09 1.56 -1.11 0.00 0.00 177.39 178.93 1dwk h GLN 102 N 0.00 0.35 0.13 1.96 1.08 -1.55 0.20 115.11 117.28 1dwk h GLN 102 Ca 0.00 -0.03 -0.32 0.00 -1.45 0.00 0.00 58.65 56.85 1dwk h GLN 102 Cb 0.00 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1dwk h GLN 102 CO 0.00 0.27 -1.68 0.28 -0.95 0.00 0.00 178.83 176.75 1dwk h VAL 103 N 0.35 0.87 -0.13 -0.54 2.07 -1.38 -3.41 116.25 114.09 1dwk h VAL 103 Ca 0.09 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1dwk h VAL 103 Cb 0.04 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1dwk h VAL 103 CO -0.01 0.79 0.00 -1.22 0.02 0.00 0.00 177.57 177.15 1dwk n TYR 104 N -3.72 0.16 -0.27 1.57 4.01 -1.23 -4.72 117.16 112.96 1dwk n TYR 104 Ca -0.27 -0.17 -0.06 0.00 -0.16 0.00 0.00 57.90 57.24 1dwk n TYR 104 Cb 0.99 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 40.06 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 2.10 1.11 1.87 2.72 0.00 -0.83 0.19 103.07 110.23 1dwk h GLY 105 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 1dwk h GLY 105 CO 0.00 0.50 -0.66 -0.91 0.00 0.00 0.00 176.54 175.47 1dwk h THR 106 N 1.01 1.44 -0.47 4.70 1.35 -1.84 -1.88 112.91 117.22 1dwk h THR 106 Ca 0.25 -2.18 -0.14 0.00 -0.55 0.00 0.00 66.41 63.80 1dwk h THR 106 Cb 0.07 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1dwk h THR 106 CO -0.04 0.63 -0.24 0.74 -0.25 0.00 0.00 175.52 176.36 1dwk h THR 107 N 0.09 1.27 -0.74 6.82 2.02 -1.63 -0.76 112.91 119.98 1dwk h THR 107 Ca -0.01 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 1dwk h THR 107 Cb 1.18 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1dwk h THR 107 CO 0.10 0.48 0.46 -0.07 0.37 0.00 0.00 175.52 176.86 1dwk h LEU 108 N 0.85 0.87 0.17 2.58 3.38 -0.48 -0.33 115.31 122.35 1dwk h LEU 108 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1dwk h LEU 108 Cb 0.82 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1dwk h LEU 108 CO 0.07 0.67 -0.10 0.50 0.09 0.00 0.00 178.44 179.67 1dwk h LYS 109 N 1.00 -0.24 -0.64 1.13 3.64 -1.14 0.48 116.57 120.80 1dwk h LYS 109 Ca 0.27 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1dwk h LYS 109 Cb -0.06 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1dwk h LYS 109 CO -0.05 -0.16 0.29 0.00 -2.27 0.00 0.00 179.45 177.26 1dwk h ALA 110 N 0.58 0.83 0.00 5.00 0.00 -0.93 -0.80 119.26 123.93 1dwk h ALA 110 Ca -0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1dwk h ALA 110 Cb 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1dwk h ALA 110 CO 0.02 0.41 -0.85 -0.07 0.00 0.00 0.00 179.25 178.76 1dwk h LEU 111 N 0.89 0.00 -0.49 0.00 3.38 -0.96 -1.23 115.31 116.90 1dwk h LEU 111 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1dwk h LEU 111 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1dwk h LEU 111 CO -0.02 0.85 0.25 0.58 0.09 0.00 0.00 178.44 180.19 1dwk h VAL 112 N 0.00 1.18 -0.55 1.22 2.07 -0.66 0.36 116.25 119.88 1dwk h VAL 112 Ca -0.01 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1dwk h VAL 112 Cb 1.66 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1dwk h VAL 112 CO 0.11 0.20 0.11 0.45 0.02 0.00 0.00 177.57 178.47 1dwk h HIS 113 N 0.65 0.94 -0.47 1.57 3.86 -1.04 -0.49 115.15 120.17 1dwk h HIS 113 Ca 0.17 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1dwk h HIS 113 Cb 0.10 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1dwk h HIS 113 CO -0.01 0.83 0.12 1.49 0.86 0.00 0.00 177.93 181.22 1dwk h GLU 114 N 0.79 0.75 0.00 2.45 4.81 -1.03 -1.50 114.58 120.84 1dwk h GLU 114 Ca 0.17 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1dwk h GLU 114 Cb 0.38 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1dwk h GLU 114 CO 0.01 0.74 -1.15 0.87 -0.73 0.00 0.00 179.01 178.74 1dwk h LYS 115 N 0.63 0.00 0.00 1.92 1.57 -0.81 -3.41 116.57 116.47 1dwk h LYS 115 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1dwk h LYS 115 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1dwk h LYS 115 CO 0.00 0.80 -0.86 1.19 -0.57 0.00 0.00 179.45 180.00 1dwk n PHE 116 N -3.24 0.00 0.00 -1.35 3.72 -0.22 -5.09 117.46 111.27 1dwk n PHE 116 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1dwk n PHE 116 Cb 0.95 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 1dwk n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dwk n GLY 117 N 2.93 0.93 3.76 1.37 0.00 -0.56 -5.02 105.19 108.59 1dwk n GLY 117 Ca -0.05 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 5.41 0.00 1.61 -1.08 -1.26 -3.95 116.67 113.40 1dwk s ASP 118 Ca 0.00 2.36 0.00 0.00 -0.52 0.00 0.00 52.55 54.39 1dwk s ASP 118 Cb 0.00 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1dwk s ASP 118 CO 0.00 -1.44 0.00 0.61 0.52 0.00 0.00 175.17 174.86 1dwk n GLY 119 N 0.45 0.58 3.18 2.66 0.00 -1.26 -1.43 105.19 109.38 1dwk n GLY 119 Ca 0.12 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.31 0.75 -0.23 -0.61 -4.36 -0.34 -4.87 121.20 110.22 1dwk s ILE 120 Ca 0.00 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 1dwk s ILE 120 Cb 0.00 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1dwk s ILE 120 CO 0.00 -0.83 0.33 -0.63 0.24 0.00 0.00 174.94 174.05 1dwk s ILE 121 N -3.59 5.23 0.46 8.37 -1.09 -1.26 -0.95 121.20 128.36 1dwk s ILE 121 Ca 0.13 0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 58.85 1dwk s ILE 121 Cb 0.05 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1dwk s ILE 121 CO -0.03 0.24 1.28 -0.55 -1.23 0.00 0.00 174.94 174.65 1dwk s SER 122 N 1.27 6.00 -0.09 3.58 0.15 0.51 -4.93 113.70 120.19 1dwk s SER 122 Ca 0.15 2.59 0.18 0.00 0.70 0.00 0.00 55.95 59.57 1dwk s SER 122 Cb -0.15 -2.63 0.69 0.00 -1.71 0.00 0.00 66.02 62.22 1dwk s SER 122 CO 0.08 -1.06 1.59 0.00 1.20 0.00 0.00 173.24 175.05 1dwk n ALA 123 N -0.34 2.94 0.01 5.45 0.00 -1.26 -4.41 120.51 122.90 1dwk n ALA 123 Ca 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1dwk n ALA 123 Cb 0.45 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.20 0.16 -2.70 0.00 2.08 -1.26 -4.71 119.36 114.13 1dwk n ILE 124 Ca 0.25 0.05 -0.43 0.00 0.56 0.00 0.00 62.75 63.18 1dwk n ILE 124 Cb 0.81 -1.42 -0.01 0.00 -0.75 0.00 0.00 39.64 38.27 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 -5.13 6.76 -0.28 4.38 3.84 -1.26 -4.85 114.94 118.41 1dwk s ASN 125 Ca 0.00 -2.23 -0.23 0.00 0.21 0.00 0.00 52.86 50.61 1dwk s ASN 125 Cb 0.00 -2.52 0.10 0.00 -0.55 0.00 0.00 41.25 38.28 1dwk s ASN 125 CO 0.00 -1.16 0.87 0.12 -2.79 0.00 0.00 177.10 174.14 1dwk s PHE 126 N 3.69 -0.66 0.04 0.43 5.36 -1.26 -1.35 117.98 124.23 1dwk s PHE 126 Ca 0.47 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 58.00 1dwk s PHE 126 Cb 0.00 0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 43.01 1dwk s PHE 126 CO -0.01 -0.32 -0.07 -1.59 -1.46 0.00 0.00 175.22 171.76 1dwk s LYS 127 N 0.54 0.52 0.07 10.12 -2.85 -0.31 -5.00 119.74 122.82 1dwk s LYS 127 Ca -0.01 -0.78 0.01 0.00 -1.00 0.00 0.00 55.97 54.20 1dwk s LYS 127 Cb -0.05 -0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 1dwk s LYS 127 CO -0.06 0.04 -0.06 -0.48 0.10 0.00 0.00 175.35 174.89 1dwk s LEU 128 N -1.65 2.43 0.02 2.77 0.05 -1.26 -1.42 118.68 119.62 1dwk s LEU 128 Ca -0.09 -0.86 -0.01 0.00 0.05 0.00 0.00 54.13 53.22 1dwk s LEU 128 Cb -0.09 -0.04 -0.02 0.00 -2.05 0.00 0.00 46.19 43.99 1dwk s LEU 128 CO -0.00 -0.41 -0.01 1.51 -0.55 0.00 0.00 176.35 176.89 1dwk s ASP 129 N -2.55 0.23 -0.17 1.48 -4.77 -1.00 -4.80 116.67 105.08 1dwk s ASP 129 Ca 0.04 -0.51 -0.01 0.00 -3.30 0.00 0.00 52.55 48.77 1dwk s ASP 129 Cb 0.01 0.12 -0.00 0.00 -1.09 0.00 0.00 42.92 41.96 1dwk s ASP 129 CO -0.04 -0.33 -0.13 -0.69 0.70 0.00 0.00 175.17 174.68 1dwk s VAL 130 N -1.66 2.80 -0.09 2.11 1.01 -1.26 -1.17 120.40 122.14 1dwk s VAL 130 Ca -0.14 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1dwk s VAL 130 Cb -0.08 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1dwk s VAL 130 CO -0.01 0.50 -0.21 -0.75 0.00 0.00 0.00 175.10 174.63 1dwk s LYS 131 N 1.01 2.67 -0.08 2.72 2.20 -0.20 -4.98 119.74 123.07 1dwk s LYS 131 Ca -0.01 -0.75 -0.25 0.00 -0.36 0.00 0.00 55.97 54.60 1dwk s LYS 131 Cb -0.15 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1dwk s LYS 131 CO -0.02 0.12 0.77 0.21 -0.36 0.00 0.00 175.35 176.07 1dwk s LYS 132 N 0.46 4.42 0.18 4.03 2.20 -1.26 -0.82 119.74 128.95 1dwk s LYS 132 Ca -0.17 0.99 0.08 0.00 -0.36 0.00 0.00 55.97 56.50 1dwk s LYS 132 Cb -0.17 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1dwk s LYS 132 CO 0.07 -0.05 -0.15 0.14 -0.36 0.00 0.00 175.35 175.00 1dwk s VAL 133 N 1.16 1.68 0.12 4.02 -7.23 -0.30 -4.99 120.40 114.85 1dwk s VAL 133 Ca 0.40 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1dwk s VAL 133 Cb -0.18 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 1dwk s VAL 133 CO 0.18 -0.51 1.22 0.00 -0.31 0.00 0.00 175.10 175.68 1dwk s ALA 134 N -2.66 3.43 -0.21 1.32 0.00 -1.26 -0.53 121.76 121.85 1dwk s ALA 134 Ca 0.19 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1dwk s ALA 134 Cb -0.02 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1dwk s ALA 134 CO 0.06 -0.43 1.18 0.34 0.00 0.00 0.00 175.76 176.92 1dwk s ASP 135 N 0.69 6.97 0.60 0.00 -1.08 -0.37 -4.67 116.67 118.82 1dwk s ASP 135 Ca 0.57 1.50 0.34 0.00 -0.52 0.00 0.00 52.55 54.44 1dwk s ASP 135 Cb -0.31 -2.54 1.94 0.00 -1.46 0.00 0.00 42.92 40.55 1dwk s ASP 135 CO 0.32 -0.77 2.26 -0.65 0.52 0.00 0.00 175.17 176.85 1dwk h PRO 136 N 8.06 0.00 -0.00 4.34 0.10 -1.95 0.28 132.00 142.82 1dwk h PRO 136 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.86 1dwk h PRO 136 Cb 1.09 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.19 1dwk h PRO 136 CO 0.98 0.02 -0.03 0.39 0.10 0.00 0.00 178.00 179.47 1dwk n GLU 137 N -3.55 0.14 0.00 1.05 -0.58 -1.26 -4.99 120.64 111.45 1dwk n GLU 137 Ca -0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1dwk n GLU 137 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1dwk n GLU 137 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dwk n GLY 138 N 1.44 3.86 0.79 0.62 0.00 0.97 -5.14 105.19 107.73 1dwk n GLY 138 Ca 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.01 -1.70 3.04 -0.02 0.00 -1.26 -4.64 105.19 100.60 1dwk n GLY 139 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 0.47 0.08 1.61 2.02 -1.26 -1.23 118.70 120.39 1dwk s GLU 140 Ca 0.00 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1dwk s GLU 140 Cb 0.00 -0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.04 1dwk s GLU 140 CO 0.00 0.01 -0.14 1.03 0.02 0.00 0.00 175.26 176.18 1dwk s ARG 141 N -1.68 0.86 -0.17 1.61 0.52 0.31 -4.71 118.95 115.70 1dwk s ARG 141 Ca -0.11 -1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 54.01 1dwk s ARG 141 Cb -0.09 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1dwk s ARG 141 CO -0.00 0.18 0.09 0.00 0.02 0.00 0.00 175.30 175.59 1dwk s ALA 142 N -1.47 3.57 -0.37 2.13 0.00 -1.26 -1.15 121.76 123.22 1dwk s ALA 142 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1dwk s ALA 142 Cb -0.09 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 21.12 1dwk s ALA 142 CO 0.02 0.28 0.15 0.08 0.00 0.00 0.00 175.76 176.29 1dwk s VAL 143 N 0.03 3.67 -0.31 0.00 1.01 0.00 -4.96 120.40 119.84 1dwk s VAL 143 Ca 0.07 -1.42 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 1dwk s VAL 143 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1dwk s VAL 143 CO 0.00 -0.35 0.16 -0.63 0.00 0.00 0.00 175.10 174.28 1dwk s ILE 144 N 1.33 4.69 -0.28 2.22 1.09 -1.26 -1.03 121.20 127.96 1dwk s ILE 144 Ca 0.01 -0.34 -0.11 0.00 -1.10 0.00 0.00 60.65 59.11 1dwk s ILE 144 Cb -0.21 -3.36 -0.05 0.00 -1.06 0.00 0.00 42.46 37.78 1dwk s ILE 144 CO 0.01 0.10 0.19 -0.89 -0.10 0.00 0.00 174.94 174.24 1dwk s THR 145 N 1.63 5.31 -0.35 2.92 2.01 -0.32 -4.96 115.64 121.88 1dwk s THR 145 Ca 0.05 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 1dwk s THR 145 Cb -0.17 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 1dwk s THR 145 CO 0.07 0.26 0.24 -0.76 -0.69 0.00 0.00 174.62 173.73 1dwk s LEU 146 N 1.68 4.59 -0.38 4.42 1.43 -1.26 -2.38 118.68 126.78 1dwk s LEU 146 Ca 0.07 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1dwk s LEU 146 Cb -0.16 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 44.06 1dwk s LEU 146 CO 0.10 -0.28 0.13 -0.62 0.23 0.00 0.00 176.35 175.91 1dwk s ASP 147 N 1.68 4.31 0.07 2.29 -1.08 -0.51 -5.01 116.67 118.43 1dwk s ASP 147 Ca 0.05 -2.25 0.08 0.00 -0.52 0.00 0.00 52.55 49.92 1dwk s ASP 147 Cb -0.18 -1.33 -0.03 0.00 -1.46 0.00 0.00 42.92 39.92 1dwk s ASP 147 CO 0.09 -0.35 -0.21 -0.83 0.52 0.00 0.00 175.17 174.40 1dwk s GLY 148 N 0.79 1.21 0.32 2.66 0.00 -1.26 -1.17 107.32 109.88 1dwk s GLY 148 Ca 0.13 -1.18 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 1dwk s GLY 148 CO -0.10 -1.14 1.18 1.25 0.00 0.00 0.00 173.10 174.30 1dwk s LYS 149 N -1.56 4.41 -0.08 2.90 2.47 -0.46 -4.63 119.74 122.81 1dwk s LYS 149 Ca 0.08 1.94 -0.29 0.00 -1.56 0.00 0.00 55.97 56.14 1dwk s LYS 149 Cb -0.09 -3.03 -0.02 0.00 -1.46 0.00 0.00 37.83 33.23 1dwk s LYS 149 CO 0.03 -0.04 0.95 -0.47 0.16 0.00 0.00 175.35 175.99 1dwk s TYR 150 N -1.22 3.56 -0.18 4.03 5.04 -1.26 -0.36 117.35 126.95 1dwk s TYR 150 Ca 0.49 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.68 1dwk s TYR 150 Cb -0.34 -3.11 0.01 0.00 0.35 0.00 0.00 41.96 38.87 1dwk s TYR 150 CO 0.44 -0.13 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.84 1dwk s LEU 151 N 1.60 2.26 0.44 6.97 1.43 -0.13 -4.98 118.68 126.27 1dwk s LEU 151 Ca 0.47 -0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 1dwk s LEU 151 Cb -0.19 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 1dwk s LEU 151 CO 0.21 0.01 0.93 -2.16 0.23 0.00 0.00 176.35 175.56 1dwk s PRO 152 N 1.27 4.12 -0.32 1.29 0.04 -1.26 -1.20 135.00 138.93 1dwk s PRO 152 Ca 0.04 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1dwk s PRO 152 Cb -0.13 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1dwk s PRO 152 CO -0.10 -0.07 0.20 0.99 0.04 0.00 0.00 177.00 178.06 1dwk s THR 153 N -2.27 4.95 0.08 1.26 2.01 -0.51 -4.83 115.64 116.33 1dwk s THR 153 Ca 0.60 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.38 1dwk s THR 153 Cb -0.09 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1dwk s THR 153 CO 0.18 0.03 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.36 1dwk s LYS 154 N 1.67 1.48 0.89 4.92 1.02 -1.26 -4.59 119.74 123.87 1dwk s LYS 154 Ca 0.05 -1.15 -0.13 0.00 0.02 0.00 0.00 55.97 54.76 1dwk s LYS 154 Cb -0.17 -1.75 0.06 0.00 -0.52 0.00 0.00 37.83 35.44 1dwk s LYS 154 CO 0.08 0.43 0.69 -2.30 -0.92 0.00 0.00 175.35 173.34 1dwk n PRO 155 N 1.42 -0.17 0.00 -1.68 -0.02 -1.26 -5.20 135.00 128.09 1dwk n PRO 155 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1dwk n PRO 155 Cb 0.53 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1dwk n PRO 155 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45