#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 0.91 0.05 9.51 -1.52 -1.26 -5.08 119.66 122.27 1dwk s GLN 3 Ca 0.00 -0.53 0.01 0.00 -1.95 0.00 0.00 55.36 52.89 1dwk s GLN 3 Cb 0.00 -0.89 -0.03 0.00 -0.22 0.00 0.00 33.01 31.87 1dwk s GLN 3 CO 0.00 0.23 -0.05 -1.54 -0.25 0.00 0.00 175.29 173.69 1dwk s SER 4 N -0.58 0.61 0.21 5.90 1.04 -1.26 -0.53 113.70 119.09 1dwk s SER 4 Ca 0.03 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1dwk s SER 4 Cb -0.06 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1dwk s SER 4 CO 0.00 -0.38 0.41 -1.10 0.98 0.00 0.00 173.24 173.15 1dwk s GLN 5 N -2.48 3.53 0.00 4.02 -1.52 0.15 -4.88 119.66 118.48 1dwk s GLN 5 Ca -0.04 -0.31 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 1dwk s GLN 5 Cb -0.03 -2.82 0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1dwk s GLN 5 CO -0.03 0.38 0.00 0.44 -0.25 0.00 0.00 175.29 175.83 1dwk n ILE 6 N -0.68 0.00 -4.02 1.08 -5.35 -1.26 -4.04 119.36 105.08 1dwk n ILE 6 Ca -0.04 -0.34 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 1dwk n ILE 6 Cb 0.54 0.96 -0.16 0.00 -1.74 0.00 0.00 39.64 39.24 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 -0.75 3.26 0.52 7.28 2.47 -1.26 -4.94 114.94 121.52 1dwk s ASN 7 Ca 0.00 -0.80 0.35 0.00 0.42 0.00 0.00 52.86 52.83 1dwk s ASN 7 Cb 0.00 -1.27 1.75 0.00 -1.45 0.00 0.00 41.25 40.28 1dwk s ASN 7 CO 0.00 -0.11 2.06 0.08 -3.72 0.00 0.00 177.10 175.41 1dwk h ARG 8 N 7.97 0.00 0.00 0.43 0.11 -1.95 -3.07 114.38 117.87 1dwk h ARG 8 Ca -0.32 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.70 1dwk h ARG 8 Cb 1.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 1dwk h ARG 8 CO 0.51 0.00 -0.29 -0.91 0.10 0.00 0.00 179.97 179.38 1dwk h ASN 9 N 0.00 0.00 -0.08 0.08 2.35 -1.95 -1.01 115.58 114.96 1dwk h ASN 9 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1dwk h ASN 9 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1dwk h ASN 9 CO 0.00 0.29 0.03 0.40 -1.65 0.00 0.00 177.43 176.50 1dwk h ILE 10 N 0.00 0.99 0.02 2.81 1.08 -1.98 -0.06 117.51 120.37 1dwk h ILE 10 Ca -0.00 -0.03 -0.21 0.00 -0.39 0.00 0.00 64.86 64.24 1dwk h ILE 10 Cb 0.67 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1dwk h ILE 10 CO 0.04 0.01 -0.95 0.03 -0.69 0.00 0.00 178.15 176.59 1dwk h ARG 11 N 0.08 0.10 -0.14 2.37 2.47 -1.70 -2.26 114.38 115.30 1dwk h ARG 11 Ca 0.03 -0.13 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 1dwk h ARG 11 Cb 0.01 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1dwk h ARG 11 CO -0.03 0.97 -0.35 -0.07 0.56 0.00 0.00 179.97 181.04 1dwk h LEU 12 N 0.04 0.30 -0.72 3.04 3.38 -1.12 0.13 115.31 120.38 1dwk h LEU 12 Ca -0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1dwk h LEU 12 Cb 1.63 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 1dwk h LEU 12 CO 0.14 0.64 0.22 0.44 0.09 0.00 0.00 178.44 179.97 1dwk h ASP 13 N 0.25 1.05 -0.83 -0.43 3.32 -0.91 -2.23 116.42 116.64 1dwk h ASP 13 Ca 0.03 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1dwk h ASP 13 Cb 0.75 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1dwk h ASP 13 CO 0.06 0.98 0.38 0.25 -1.72 0.00 0.00 179.24 179.19 1dwk h LEU 14 N 1.06 1.09 -0.70 1.55 5.85 -1.15 -1.95 115.31 121.05 1dwk h LEU 14 Ca 0.23 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1dwk h LEU 14 Cb 0.31 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 1dwk h LEU 14 CO -0.01 0.93 0.32 0.00 -0.34 0.00 0.00 178.44 179.34 1dwk h ALA 15 N 1.21 0.96 -0.73 1.25 0.00 -0.33 1.00 119.26 122.62 1dwk h ALA 15 Ca 0.28 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1dwk h ALA 15 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1dwk h ALA 15 CO -0.03 -0.11 0.28 -0.44 0.00 0.00 0.00 179.25 178.94 1dwk h ASP 16 N 0.53 1.01 -0.36 0.00 3.32 -0.81 0.32 116.42 120.44 1dwk h ASP 16 Ca 0.35 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 1dwk h ASP 16 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1dwk h ASP 16 CO -0.30 0.92 -0.18 0.00 -1.72 0.00 0.00 179.24 177.96 1dwk h ALA 17 N 1.13 0.88 -0.33 3.45 0.00 -0.65 -1.66 119.26 122.09 1dwk h ALA 17 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dwk h ALA 17 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dwk h ALA 17 CO -0.02 0.63 0.16 0.82 0.00 0.00 0.00 179.25 180.84 1dwk h ILE 18 N 0.73 1.16 -0.15 0.00 2.04 -0.35 -1.93 117.51 119.01 1dwk h ILE 18 Ca 0.11 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1dwk h ILE 18 Cb 0.69 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1dwk h ILE 18 CO 0.05 0.17 -0.20 -0.07 0.00 0.00 0.00 178.15 178.10 1dwk h LEU 19 N 0.39 0.26 -0.31 1.44 3.38 -0.58 0.13 115.31 120.02 1dwk h LEU 19 Ca 0.11 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 1dwk h LEU 19 Cb 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1dwk h LEU 19 CO -0.01 0.47 -0.55 0.25 0.09 0.00 0.00 178.44 178.69 1dwk h LEU 20 N 0.24 0.96 -0.46 1.67 5.85 -1.01 -1.43 115.31 121.13 1dwk h LEU 20 Ca 0.04 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1dwk h LEU 20 Cb 0.50 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1dwk h LEU 20 CO 0.03 1.32 0.21 -1.28 -0.34 0.00 0.00 178.44 178.38 1dwk h SER 21 N 0.66 0.62 -0.51 1.25 0.87 -1.05 -0.92 113.55 114.48 1dwk h SER 21 Ca 0.01 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1dwk h SER 21 Cb 1.16 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1dwk h SER 21 CO 0.12 0.60 0.33 0.50 -0.53 0.00 0.00 176.83 177.85 1dwk h LYS 22 N 0.61 0.65 -0.54 2.24 3.64 -0.92 -1.76 116.57 120.48 1dwk h LYS 22 Ca 0.16 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1dwk h LYS 22 Cb 0.15 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1dwk h LYS 22 CO -0.02 0.43 -0.08 0.00 -2.27 0.00 0.00 179.45 177.52 1dwk h ALA 23 N 1.20 0.73 -0.48 5.00 0.00 -0.92 -1.33 119.26 123.47 1dwk h ALA 23 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dwk h ALA 23 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1dwk h ALA 23 CO -0.06 0.62 0.30 0.87 0.00 0.00 0.00 179.25 180.98 1dwk h LYS 24 N 0.88 0.63 -0.01 0.00 1.57 -0.75 -1.83 116.57 117.06 1dwk h LYS 24 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1dwk h LYS 24 Cb 0.64 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1dwk h LYS 24 CO 0.04 0.44 -0.10 1.63 -0.57 0.00 0.00 179.45 180.88 1dwk n LYS 25 N -4.45 0.93 -3.22 3.15 5.02 -0.70 -4.95 118.16 113.95 1dwk n LYS 25 Ca 0.04 -0.39 -0.23 0.00 -2.02 0.00 0.00 58.31 55.71 1dwk n LYS 25 Cb 0.07 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.69 -5.11 -4.85 4.39 2.03 -0.59 -4.95 116.55 106.78 1dwk n ASP 26 Ca 0.16 -0.36 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 1dwk n ASP 26 Cb 0.29 -4.15 -0.05 0.00 -0.72 0.00 0.00 41.12 36.48 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 -6.65 3.93 0.18 -2.67 1.43 -0.66 -5.04 118.68 109.20 1dwk s LEU 27 Ca 0.37 1.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1dwk s LEU 27 Cb -0.18 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1dwk s LEU 27 CO 0.45 -0.33 0.34 -0.94 0.23 0.00 0.00 176.35 176.11 1dwk s SER 28 N -2.52 6.36 0.30 2.29 1.04 -1.26 -4.81 113.70 115.11 1dwk s SER 28 Ca 0.56 0.29 -0.00 0.00 0.48 0.00 0.00 55.95 57.28 1dwk s SER 28 Cb -0.10 -1.96 0.48 0.00 0.10 0.00 0.00 66.02 64.54 1dwk s SER 28 CO 0.21 -0.00 1.90 -0.26 0.98 0.00 0.00 173.24 176.07 1dwk h PHE 29 N 2.03 0.87 -0.66 5.02 0.04 -1.99 -0.92 116.94 121.33 1dwk h PHE 29 Ca -0.48 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.22 1dwk h PHE 29 Cb 1.19 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 1dwk h PHE 29 CO 0.54 0.64 0.28 0.00 -0.60 0.00 0.00 178.31 179.17 1dwk h ALA 30 N 1.44 0.85 -0.44 2.45 0.00 -1.95 -1.68 119.26 119.93 1dwk h ALA 30 Ca 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1dwk h ALA 30 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dwk h ALA 30 CO -0.03 0.45 -0.12 1.05 0.00 0.00 0.00 179.25 180.60 1dwk h GLU 31 N 0.92 0.81 -0.77 0.00 4.11 -1.87 -1.12 114.58 116.66 1dwk h GLU 31 Ca 0.22 -0.28 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 1dwk h GLU 31 Cb 0.18 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1dwk h GLU 31 CO -0.02 0.89 0.30 0.82 0.07 0.00 0.00 179.01 181.07 1dwk h ILE 32 N 0.73 1.26 0.00 -1.06 2.04 -0.92 -2.49 117.51 117.06 1dwk h ILE 32 Ca 0.12 -0.82 -0.14 0.00 1.00 0.00 0.00 64.86 65.02 1dwk h ILE 32 Cb 0.61 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1dwk h ILE 32 CO 0.04 0.33 -0.68 0.00 0.00 0.00 0.00 178.15 177.84 1dwk h ALA 33 N 1.20 0.66 -1.33 1.87 0.00 -1.08 -3.45 119.26 117.13 1dwk h ALA 33 Ca 0.26 -0.62 -0.74 0.00 0.00 0.00 0.00 54.91 53.81 1dwk h ALA 33 Cb 0.22 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.95 1dwk h ALA 33 CO -0.02 0.85 0.29 -3.47 0.00 0.00 0.00 179.25 176.90 1dwk n ASP 34 N -3.42 0.88 0.00 0.00 2.03 -0.44 -2.11 116.55 113.49 1dwk n ASP 34 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1dwk n ASP 34 Cb 0.75 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 2.15 1.38 0.10 0.27 0.00 -1.26 -4.87 105.19 102.97 1dwk n GLY 35 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 2.61 2.02 -1.74 -3.48 112.91 112.33 1dwk h THR 36 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1dwk h THR 36 Cb 0.00 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1dwk h THR 36 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1dwk n GLY 37 N 1.23 0.39 3.29 2.16 0.00 -1.26 -4.86 105.19 106.14 1dwk n GLY 37 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 2.25 0.53 0.99 1.43 -1.26 -5.12 118.68 117.50 1dwk s LEU 38 Ca 0.00 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 1dwk s LEU 38 Cb 0.00 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 1dwk s LEU 38 CO 0.00 0.12 1.26 0.00 0.23 0.00 0.00 176.35 177.96 1dwk s ALA 39 N -1.01 2.80 0.42 4.21 0.00 -1.26 -4.83 121.76 122.09 1dwk s ALA 39 Ca 0.08 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.27 1dwk s ALA 39 Cb -0.10 -3.48 0.91 0.00 0.00 0.00 0.00 23.12 20.45 1dwk s ALA 39 CO 0.04 -1.11 2.02 1.05 0.00 0.00 0.00 175.76 177.76 1dwk h GLU 40 N 1.50 0.31 -0.40 0.00 4.11 -1.92 -1.01 114.58 117.16 1dwk h GLU 40 Ca -0.50 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 58.77 1dwk h GLU 40 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1dwk h GLU 40 CO 0.58 0.29 -0.22 0.00 0.07 0.00 0.00 179.01 179.73 1dwk h ALA 41 N 1.75 0.86 -0.10 1.06 0.00 -1.91 -0.79 119.26 120.14 1dwk h ALA 41 Ca 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1dwk h ALA 41 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dwk h ALA 41 CO -0.00 0.63 -0.14 0.35 0.00 0.00 0.00 179.25 180.09 1dwk h PHE 42 N 0.69 0.33 -0.59 0.00 3.57 -1.58 -2.01 116.94 117.35 1dwk h PHE 42 Ca 0.10 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1dwk h PHE 42 Cb 0.73 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1dwk h PHE 42 CO 0.04 0.73 0.24 0.28 -2.23 0.00 0.00 178.31 177.37 1dwk h VAL 43 N -0.17 1.23 -0.64 1.41 2.07 -1.22 -1.26 116.25 117.68 1dwk h VAL 43 Ca 0.01 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1dwk h VAL 43 Cb 0.70 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1dwk h VAL 43 CO 0.03 0.27 0.26 0.74 0.02 0.00 0.00 177.57 178.89 1dwk h THR 44 N 0.82 1.23 -0.82 2.57 2.02 -1.18 -1.08 112.91 116.47 1dwk h THR 44 Ca 0.20 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1dwk h THR 44 Cb 0.20 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1dwk h THR 44 CO -0.02 0.29 0.48 0.00 0.37 0.00 0.00 175.52 176.64 1dwk h ALA 45 N 1.10 1.05 -0.61 6.16 0.00 -1.14 -1.25 119.26 124.58 1dwk h ALA 45 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1dwk h ALA 45 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1dwk h ALA 45 CO -0.02 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.03 1dwk h ALA 46 N 1.26 0.79 -0.53 0.00 0.00 -0.62 0.18 119.26 120.33 1dwk h ALA 46 Ca 0.29 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1dwk h ALA 46 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1dwk h ALA 46 CO -0.05 0.38 0.36 -0.07 0.00 0.00 0.00 179.25 179.86 1dwk h LEU 47 N 0.84 0.48 -1.60 0.00 3.38 -0.35 -1.38 115.31 116.68 1dwk h LEU 47 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1dwk h LEU 47 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1dwk h LEU 47 CO -0.02 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1dwk n LEU 48 N -4.47 2.34 0.00 1.67 4.77 -0.55 -4.09 117.00 116.66 1dwk n LEU 48 Ca 0.07 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1dwk n LEU 48 Cb 0.19 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1dwk n LEU 48 CO 0.35 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1dwk n GLY 49 N 1.09 0.80 0.18 -0.72 0.00 -0.52 -4.81 105.19 101.21 1dwk n GLY 49 Ca 0.14 -0.10 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 -2.38 0.32 -4.04 1.61 1.13 0.56 -4.68 117.38 109.90 1dwk n GLN 50 Ca 0.00 -0.96 -0.10 0.00 -1.94 0.00 0.00 57.00 54.00 1dwk n GLN 50 Cb 0.00 -1.08 -0.08 0.00 0.11 0.00 0.00 30.24 29.19 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 1.20 -0.09 -1.09 -1.52 -1.21 -4.82 119.66 111.64 1dwk s GLN 51 Ca 0.06 -1.31 -0.02 0.00 -1.95 0.00 0.00 55.36 52.14 1dwk s GLN 51 Cb 0.04 0.35 -0.03 0.00 -0.22 0.00 0.00 33.01 33.15 1dwk s GLN 51 CO 0.05 -0.43 -0.01 0.00 -0.25 0.00 0.00 175.29 174.65 1dwk s ALA 52 N -4.03 3.24 0.06 6.09 0.00 -1.26 -4.31 121.76 121.54 1dwk s ALA 52 Ca 0.23 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1dwk s ALA 52 Cb 0.04 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.63 1dwk s ALA 52 CO 0.04 0.55 0.49 -0.51 0.00 0.00 0.00 175.76 176.34 1dwk s LEU 53 N -0.76 4.47 0.80 0.00 1.43 -0.22 -4.98 118.68 119.42 1dwk s LEU 53 Ca 0.12 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 54.17 1dwk s LEU 53 Cb -0.11 -2.83 0.07 0.00 0.03 0.00 0.00 46.19 43.35 1dwk s LEU 53 CO 0.02 0.27 1.18 -2.65 0.23 0.00 0.00 176.35 175.40 1dwk n PRO 54 N 1.58 0.23 -0.31 1.29 -0.02 -1.26 -4.25 135.00 132.26 1dwk n PRO 54 Ca -0.11 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.55 1dwk n PRO 54 Cb 0.52 -2.42 0.17 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.82 1.22 -0.28 3.55 0.00 -1.97 -0.35 119.26 120.60 1dwk h ALA 55 Ca -0.46 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1dwk h ALA 55 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1dwk h ALA 55 CO 0.46 0.18 -0.37 -0.44 0.00 0.00 0.00 179.25 179.08 1dwk h ASP 56 N 0.88 0.67 -0.37 0.00 3.32 -2.00 -0.46 116.42 118.46 1dwk h ASP 56 Ca 0.40 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1dwk h ASP 56 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1dwk h ASP 56 CO -0.22 0.98 -0.04 0.00 -1.72 0.00 0.00 179.24 178.24 1dwk h ALA 57 N 1.06 0.51 -0.40 3.45 0.00 -1.74 -1.89 119.26 120.24 1dwk h ALA 57 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1dwk h ALA 57 Cb 0.89 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1dwk h ALA 57 CO 0.08 0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.88 1dwk h ALA 58 N 0.85 0.50 -0.57 0.00 0.00 -0.79 -0.73 119.26 118.52 1dwk h ALA 58 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1dwk h ALA 58 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dwk h ALA 58 CO 0.03 -0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.26 1dwk h ARG 59 N 0.47 0.92 0.06 0.00 3.08 -0.94 -0.71 114.38 117.25 1dwk h ARG 59 Ca 0.16 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1dwk h ARG 59 Cb 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1dwk h ARG 59 CO -0.08 0.86 -0.03 1.25 -1.07 0.00 0.00 179.97 180.90 1dwk h LEU 60 N 0.87 -0.07 -1.15 3.04 5.85 -1.09 0.60 115.31 123.37 1dwk h LEU 60 Ca 0.18 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1dwk h LEU 60 Cb 0.39 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1dwk h LEU 60 CO 0.01 0.23 -0.27 -0.37 -0.34 0.00 0.00 178.44 177.69 1dwk h VAL 61 N -0.37 1.25 -0.93 1.05 -1.51 -1.17 -1.75 116.25 112.83 1dwk h VAL 61 Ca -0.01 -1.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.27 1dwk h VAL 61 Cb 0.32 1.45 -0.04 0.00 -2.13 0.00 0.00 31.29 30.89 1dwk h VAL 61 CO 0.01 0.36 0.55 1.23 -1.23 0.00 0.00 177.57 178.49 1dwk h GLY 62 N 1.00 1.36 0.98 5.19 0.00 -0.94 -0.54 103.07 110.13 1dwk h GLY 62 Ca 0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1dwk h GLY 62 CO 0.04 0.56 0.21 0.00 0.00 0.00 0.00 176.54 177.35 1dwk h ALA 63 N 1.30 0.71 0.00 3.60 0.00 -0.02 0.54 119.26 125.39 1dwk h ALA 63 Ca 0.33 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1dwk h ALA 63 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1dwk h ALA 63 CO -0.06 0.34 -0.33 0.87 0.00 0.00 0.00 179.25 180.07 1dwk h LYS 64 N 0.75 0.00 -0.26 0.00 1.57 -0.97 -3.02 116.57 114.64 1dwk h LYS 64 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1dwk h LYS 64 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1dwk h LYS 64 CO -0.01 0.33 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 1dwk n LEU 65 N -4.12 2.97 -3.66 2.94 4.77 -0.25 -4.97 117.00 114.68 1dwk n LEU 65 Ca -0.02 -1.42 -0.24 0.00 -0.03 0.00 0.00 56.01 54.30 1dwk n LEU 65 Cb 0.37 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1dwk n LEU 65 CO 0.38 0.63 0.16 -0.67 -1.33 0.00 0.00 177.39 176.56 1dwk n ASP 66 N 1.11 -4.71 -4.85 -1.43 2.03 -0.02 -4.90 116.55 103.78 1dwk n ASP 66 Ca 0.14 -0.64 -0.32 0.00 0.52 0.00 0.00 54.79 54.49 1dwk n ASP 66 Cb 0.50 -4.67 -0.05 0.00 -0.72 0.00 0.00 41.12 36.17 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 -7.08 3.95 0.85 -2.67 1.43 -0.03 -5.05 118.68 110.09 1dwk s LEU 67 Ca 0.44 1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 54.72 1dwk s LEU 67 Cb -0.21 -4.14 0.12 0.00 0.03 0.00 0.00 46.19 41.99 1dwk s LEU 67 CO 0.76 -0.31 1.22 1.51 0.23 0.00 0.00 176.35 179.76 1dwk s ASP 68 N -2.58 4.06 0.26 2.29 1.47 -1.26 -4.82 116.67 116.09 1dwk s ASP 68 Ca 0.54 0.58 -0.03 0.00 1.18 0.00 0.00 52.55 54.83 1dwk s ASP 68 Cb -0.10 -0.93 0.34 0.00 -0.34 0.00 0.00 42.92 41.89 1dwk s ASP 68 CO 0.22 -2.16 1.84 -0.33 0.68 0.00 0.00 175.17 175.41 1dwk h GLU 69 N -1.22 0.97 -0.36 2.11 4.39 -1.99 -1.35 114.58 117.14 1dwk h GLU 69 Ca -0.45 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 58.99 1dwk h GLU 69 Cb 1.30 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1dwk h GLU 69 CO 0.56 0.81 -0.14 -0.44 -1.16 0.00 0.00 179.01 178.63 1dwk h ASP 70 N 0.95 0.63 -0.31 1.42 3.32 -1.99 -0.96 116.42 119.48 1dwk h ASP 70 Ca 0.22 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1dwk h ASP 70 Cb 0.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1dwk h ASP 70 CO -0.02 0.79 -0.21 0.28 -1.72 0.00 0.00 179.24 178.36 1dwk h SER 71 N 0.58 0.73 -0.86 6.45 0.02 -1.80 0.11 113.55 118.77 1dwk h SER 71 Ca 0.10 -0.43 0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1dwk h SER 71 Cb 0.58 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1dwk h SER 71 CO 0.04 1.01 0.57 0.40 -1.14 0.00 0.00 176.83 177.70 1dwk h ILE 72 N 0.46 1.15 -0.48 3.27 2.04 -1.09 -1.69 117.51 121.16 1dwk h ILE 72 Ca 0.06 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 1dwk h ILE 72 Cb 0.76 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1dwk h ILE 72 CO 0.06 0.20 -0.08 0.25 0.00 0.00 0.00 178.15 178.57 1dwk h LEU 73 N 1.08 0.91 -1.03 1.44 5.85 -0.84 -3.05 115.31 119.69 1dwk h LEU 73 Ca 0.34 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1dwk h LEU 73 Cb 0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1dwk h LEU 73 CO -0.10 1.04 0.17 -0.07 -0.34 0.00 0.00 178.44 179.14 1dwk h LEU 74 N 0.76 0.80 -2.26 2.25 3.38 -0.45 -1.21 115.31 118.59 1dwk h LEU 74 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1dwk h LEU 74 Cb 0.63 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dwk h LEU 74 CO 0.04 0.77 -0.05 -0.07 0.09 0.00 0.00 178.44 179.22 1dwk h LEU 75 N 0.84 0.00 -6.08 1.67 3.38 -1.20 -3.45 115.31 110.46 1dwk h LEU 75 Ca 0.19 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.42 1dwk h LEU 75 Cb 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 1dwk h LEU 75 CO -0.01 0.05 2.52 0.00 0.09 0.00 0.00 178.44 181.09 1dwk n GLN 76 N -3.42 3.60 -4.47 1.13 6.02 -0.46 -1.06 117.38 118.72 1dwk n GLN 76 Ca -0.02 -3.18 -0.33 0.00 -0.01 0.00 0.00 57.00 53.46 1dwk n GLN 76 Cb 0.17 -2.96 -0.15 0.00 1.02 0.00 0.00 30.24 28.33 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 0.97 2.76 0.65 5.09 -1.09 0.31 -4.66 121.20 125.24 1dwk s ILE 78 Ca 0.46 -0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 58.04 1dwk s ILE 78 Cb 0.13 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 1dwk s ILE 78 CO -0.04 0.51 1.05 -2.16 -1.23 0.00 0.00 174.94 173.07 1dwk s PRO 79 N 0.86 3.30 -0.65 2.79 0.04 -1.26 -0.68 135.00 139.40 1dwk s PRO 79 Ca -0.04 0.73 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 1dwk s PRO 79 Cb -0.15 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1dwk s PRO 79 CO -0.00 -0.78 0.90 -1.17 0.04 0.00 0.00 177.00 175.99 1dwk s LEU 80 N -5.29 4.64 0.56 -3.56 1.98 -1.26 -4.77 118.68 110.98 1dwk s LEU 80 Ca 0.56 -1.12 -0.15 0.00 -2.89 0.00 0.00 54.13 50.53 1dwk s LEU 80 Cb -0.12 -2.39 -0.06 0.00 0.66 0.00 0.00 46.19 44.28 1dwk s LEU 80 CO 0.54 -1.36 1.01 -0.13 -1.89 0.00 0.00 176.35 174.52 1dwk s ARG 81 N 3.71 3.72 0.00 1.98 0.52 -1.26 -4.44 118.95 123.17 1dwk s ARG 81 Ca 0.20 0.96 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1dwk s ARG 81 Cb -0.18 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1dwk s ARG 81 CO 0.09 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.36 1dwk n GLY 82 N -1.72 1.69 0.04 -3.53 0.00 -1.26 -5.05 105.19 95.35 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 -3.10 4.98 0.11 0.00 1.01 -1.26 -4.96 121.20 117.97 1dwk s ILE 84 Ca 0.08 1.62 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 1dwk s ILE 84 Cb 0.15 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 1dwk s ILE 84 CO 0.70 0.19 1.72 -0.78 0.00 0.00 0.00 174.94 176.77 1dwk h ASP 85 N 6.88 -0.12 -1.42 3.58 3.58 -1.90 -3.36 116.42 123.66 1dwk h ASP 85 Ca -0.39 0.03 -0.46 0.00 0.42 0.00 0.00 57.03 56.63 1dwk h ASP 85 Cb 1.19 0.07 -0.32 0.00 1.72 0.00 0.00 39.33 41.99 1dwk h ASP 85 CO 0.77 -0.05 -0.93 -0.67 -2.88 0.00 0.00 179.24 175.48 1dwk n ASP 86 N -5.15 -0.71 0.00 2.28 2.03 -1.26 -5.03 116.55 108.70 1dwk n ASP 86 Ca -0.05 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.39 1dwk n ASP 86 Cb 0.09 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 1.46 0.00 -4.52 -0.67 1.74 -1.26 -4.75 116.66 108.67 1dwk n ARG 87 Ca 0.18 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 1dwk n ARG 87 Cb 0.56 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.87 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 3.37 0.53 0.55 -1.09 -1.26 -5.02 121.20 118.28 1dwk s ILE 88 Ca 0.00 -0.54 -0.22 0.00 -2.23 0.00 0.00 60.65 57.67 1dwk s ILE 88 Cb 0.00 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1dwk s ILE 88 CO 0.00 0.50 1.28 -2.84 -1.23 0.00 0.00 174.94 172.65 1dwk s PRO 89 N 0.53 3.30 -0.02 2.79 0.02 -1.26 -4.89 135.00 135.47 1dwk s PRO 89 Ca -0.06 2.05 0.19 0.00 0.02 0.00 0.00 61.00 63.20 1dwk s PRO 89 Cb -0.15 -2.26 -0.21 0.00 0.02 0.00 0.00 34.50 31.90 1dwk s PRO 89 CO 0.03 -1.00 0.56 0.25 -0.33 0.00 0.00 177.00 176.51 1dwk n THR 90 N -0.93 0.85 -2.24 0.99 -2.24 -1.26 -4.70 114.28 104.75 1dwk n THR 90 Ca 0.10 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1dwk n THR 90 Cb 0.46 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 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 -5.31 6.90 0.24 3.42 2.15 -1.26 -4.88 116.67 117.93 1dwk s ASP 91 Ca -0.06 2.29 -0.05 0.00 0.43 0.00 0.00 52.55 55.16 1dwk s ASP 91 Cb 0.10 -2.59 0.38 0.00 -0.30 0.00 0.00 42.92 40.50 1dwk s ASP 91 CO 0.84 -0.57 1.82 -0.65 -0.17 0.00 0.00 175.17 176.44 1dwk h PRO 92 N 6.33 0.82 -0.21 4.34 0.11 -2.05 0.16 132.00 141.51 1dwk h PRO 92 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dwk h PRO 92 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dwk h PRO 92 CO 0.82 0.54 0.00 2.41 -0.21 0.00 0.00 178.00 181.57 1dwk n THR 93 N -4.70 0.00 0.00 -1.15 -1.04 -1.26 -1.60 114.28 104.53 1dwk n THR 93 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1dwk n THR 93 Cb 0.25 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 0.38 0.00 -0.01 -1.42 9.36 0.56 -4.18 117.16 121.86 1dwk n TYR 95 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 1dwk n TYR 95 Cb 0.05 0.00 0.44 0.00 -0.63 0.00 0.00 39.34 39.20 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 0.51 -0.21 2.98 2.47 -1.55 0.14 114.38 118.72 1dwk h ARG 96 Ca 0.00 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 1dwk h ARG 96 Cb 0.00 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1dwk h ARG 96 CO 0.00 0.34 -0.20 0.74 0.56 0.00 0.00 179.97 181.40 1dwk h PHE 97 N 0.53 0.41 -0.47 3.04 0.04 -1.87 -2.81 116.94 115.79 1dwk h PHE 97 Ca 0.17 -0.07 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 1dwk h PHE 97 Cb 0.03 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1dwk h PHE 97 CO -0.00 0.56 -0.08 -0.92 -0.60 0.00 0.00 178.31 177.27 1dwk h TYR 98 N 0.34 1.00 0.00 -0.55 3.20 -1.44 -3.03 116.97 116.49 1dwk h TYR 98 Ca 0.06 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1dwk h TYR 98 Cb 0.56 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1dwk h TYR 98 CO 0.01 0.96 0.00 -1.91 -1.64 0.00 0.00 178.16 175.59 1dwk n GLU 99 N -4.26 0.08 0.00 1.82 2.13 0.32 -1.19 120.64 119.53 1dwk n GLU 99 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1dwk n GLU 99 Cb 0.37 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 1.96 0.00 0.09 4.31 7.94 -1.15 -1.05 117.00 129.10 1dwk n LEU 101 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1dwk n LEU 101 Cb 0.04 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.41 1dwk n LEU 101 CO 0.00 0.00 1.00 1.56 -1.11 0.00 0.00 177.39 178.84 1dwk h GLN 102 N 0.00 0.32 0.13 1.96 1.08 -1.47 0.88 115.11 118.00 1dwk h GLN 102 Ca 0.00 -0.05 -0.31 0.00 -1.45 0.00 0.00 58.65 56.84 1dwk h GLN 102 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1dwk h GLN 102 CO 0.00 0.33 -1.63 0.28 -0.95 0.00 0.00 178.83 176.86 1dwk h VAL 103 N 0.31 0.89 -0.06 -0.54 2.07 -1.37 -3.41 116.25 114.14 1dwk h VAL 103 Ca 0.07 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1dwk h VAL 103 Cb 0.19 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1dwk h VAL 103 CO 0.00 0.76 0.00 -1.22 0.02 0.00 0.00 177.57 177.13 1dwk n TYR 104 N -3.78 0.06 -0.26 1.57 4.01 -1.22 -4.70 117.16 112.84 1dwk n TYR 104 Ca -0.27 -0.06 -0.06 0.00 -0.16 0.00 0.00 57.90 57.35 1dwk n TYR 104 Cb 0.96 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 40.04 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 2.29 1.08 2.00 2.72 0.00 -1.06 0.23 103.07 110.33 1dwk h GLY 105 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1dwk h GLY 105 CO 0.00 0.49 -0.40 -0.91 0.00 0.00 0.00 176.54 175.72 1dwk h THR 106 N 0.98 0.97 -0.19 4.70 1.35 -1.84 -1.63 112.91 117.25 1dwk h THR 106 Ca 0.25 -1.54 -0.18 0.00 -0.55 0.00 0.00 66.41 64.39 1dwk h THR 106 Cb 0.08 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1dwk h THR 106 CO -0.04 0.39 -0.61 0.74 -0.25 0.00 0.00 175.52 175.75 1dwk h THR 107 N 0.00 1.31 -0.48 6.82 2.02 -1.56 -0.69 112.91 120.33 1dwk h THR 107 Ca -0.00 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 1dwk h THR 107 Cb 0.88 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 1dwk h THR 107 CO 0.05 0.58 0.26 -0.07 0.37 0.00 0.00 175.52 176.71 1dwk h LEU 108 N 0.49 0.60 0.12 2.58 3.38 -0.41 0.44 115.31 122.52 1dwk h LEU 108 Ca -0.01 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1dwk h LEU 108 Cb 1.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1dwk h LEU 108 CO 0.12 0.52 -0.14 0.50 0.09 0.00 0.00 178.44 179.53 1dwk h LYS 109 N 0.63 -0.29 -0.11 1.13 3.64 -1.07 -0.33 116.57 120.16 1dwk h LYS 109 Ca 0.17 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1dwk h LYS 109 Cb 0.06 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1dwk h LYS 109 CO -0.03 -0.20 -0.06 0.00 -2.27 0.00 0.00 179.45 176.90 1dwk h ALA 110 N 0.54 0.04 -0.09 5.00 0.00 -0.80 -1.45 119.26 122.50 1dwk h ALA 110 Ca 0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1dwk h ALA 110 Cb 0.30 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1dwk h ALA 110 CO -0.05 -0.52 -0.62 -0.07 0.00 0.00 0.00 179.25 177.99 1dwk h LEU 111 N -0.05 0.37 -0.52 0.00 3.38 -0.86 -0.93 115.31 116.70 1dwk h LEU 111 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1dwk h LEU 111 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1dwk h LEU 111 CO -0.14 0.90 0.26 0.58 0.09 0.00 0.00 178.44 180.12 1dwk h VAL 112 N 0.24 1.19 -0.57 1.22 2.07 -0.91 0.70 116.25 120.19 1dwk h VAL 112 Ca -0.01 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1dwk h VAL 112 Cb 1.15 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1dwk h VAL 112 CO 0.10 0.22 -0.04 0.45 0.02 0.00 0.00 177.57 178.32 1dwk h HIS 113 N 0.70 1.12 -0.61 1.57 3.86 -1.12 -0.13 115.15 120.54 1dwk h HIS 113 Ca 0.18 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1dwk h HIS 113 Cb 0.11 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1dwk h HIS 113 CO -0.01 1.01 0.10 1.49 0.86 0.00 0.00 177.93 181.38 1dwk h GLU 114 N 0.93 1.00 0.01 2.45 4.81 -1.00 -1.43 114.58 121.36 1dwk h GLU 114 Ca 0.16 -0.27 -0.24 0.00 -0.13 0.00 0.00 59.36 58.88 1dwk h GLU 114 Cb 0.59 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1dwk h GLU 114 CO 0.04 0.94 -1.21 0.87 -0.73 0.00 0.00 179.01 178.91 1dwk h LYS 115 N 0.91 0.03 0.00 1.92 1.57 -0.71 -3.41 116.57 116.88 1dwk h LYS 115 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1dwk h LYS 115 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1dwk h LYS 115 CO 0.01 0.90 -1.14 1.19 -0.57 0.00 0.00 179.45 179.84 1dwk n PHE 116 N -3.29 0.00 0.00 -1.35 3.72 -0.07 -5.09 117.46 111.38 1dwk n PHE 116 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1dwk n PHE 116 Cb 0.98 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 2.80 0.83 3.77 1.37 0.00 -0.54 -5.02 105.19 108.40 1dwk n GLY 117 Ca -0.07 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 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 5.59 0.00 1.61 -1.08 -1.26 -4.05 116.67 113.48 1dwk s ASP 118 Ca 0.00 2.24 0.00 0.00 -0.52 0.00 0.00 52.55 54.27 1dwk s ASP 118 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1dwk s ASP 118 CO 0.00 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 174.99 1dwk n GLY 119 N 0.27 0.67 3.28 2.66 0.00 -1.26 -1.15 105.19 109.66 1dwk n GLY 119 Ca 0.12 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.16 0.92 -0.23 -0.61 -4.36 -0.43 -4.87 121.20 110.46 1dwk s ILE 120 Ca 0.00 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 1dwk s ILE 120 Cb 0.00 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 1dwk s ILE 120 CO 0.00 -0.45 0.30 -0.63 0.24 0.00 0.00 174.94 174.39 1dwk s ILE 121 N -3.50 5.26 0.39 8.37 -1.09 -1.26 -1.18 121.20 128.19 1dwk s ILE 121 Ca 0.25 0.47 -0.27 0.00 -2.23 0.00 0.00 60.65 58.87 1dwk s ILE 121 Cb 0.05 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 1dwk s ILE 121 CO 0.06 0.27 1.34 -0.55 -1.23 0.00 0.00 174.94 174.83 1dwk s SER 122 N 1.16 6.37 -0.01 3.58 0.15 0.43 -4.93 113.70 120.44 1dwk s SER 122 Ca 0.14 2.74 0.18 0.00 0.70 0.00 0.00 55.95 59.71 1dwk s SER 122 Cb -0.14 -2.65 0.55 0.00 -1.71 0.00 0.00 66.02 62.07 1dwk s SER 122 CO 0.07 -0.82 1.45 0.00 1.20 0.00 0.00 173.24 175.14 1dwk n ALA 123 N 0.28 2.49 -0.00 5.45 0.00 -1.26 -4.38 120.51 123.09 1dwk n ALA 123 Ca 0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 53.44 52.33 1dwk n ALA 123 Cb 0.42 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 1.23 0.72 -2.62 0.00 2.08 -1.26 -4.70 119.36 114.81 1dwk n ILE 124 Ca 0.21 0.13 -0.43 0.00 0.56 0.00 0.00 62.75 63.22 1dwk n ILE 124 Cb 0.55 -1.63 -0.01 0.00 -0.75 0.00 0.00 39.64 37.80 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 -5.67 6.77 -0.25 4.38 3.84 -1.26 -4.86 114.94 117.88 1dwk s ASN 125 Ca -0.06 -2.23 -0.23 0.00 0.21 0.00 0.00 52.86 50.55 1dwk s ASN 125 Cb 0.02 -2.56 0.07 0.00 -0.55 0.00 0.00 41.25 38.23 1dwk s ASN 125 CO 0.08 -1.22 0.68 0.12 -2.79 0.00 0.00 177.10 173.97 1dwk s PHE 126 N 4.14 -0.75 0.04 0.43 5.36 -1.26 -1.29 117.98 124.64 1dwk s PHE 126 Ca 0.50 1.82 0.00 0.00 -0.96 0.00 0.00 56.93 58.30 1dwk s PHE 126 Cb 0.02 0.27 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1dwk s PHE 126 CO 0.02 -0.36 -0.05 -1.59 -1.46 0.00 0.00 175.22 171.78 1dwk s LYS 127 N 0.41 0.52 0.08 10.12 -2.85 -0.33 -5.00 119.74 122.68 1dwk s LYS 127 Ca -0.00 -0.92 0.01 0.00 -1.00 0.00 0.00 55.97 54.06 1dwk s LYS 127 Cb -0.05 0.00 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1dwk s LYS 127 CO 0.00 -0.04 -0.06 -0.48 0.10 0.00 0.00 175.35 174.87 1dwk s LEU 128 N -2.12 2.45 0.01 2.77 0.05 -1.26 -1.12 118.68 119.47 1dwk s LEU 128 Ca -0.04 -0.90 -0.10 0.00 0.05 0.00 0.00 54.13 53.14 1dwk s LEU 128 Cb -0.03 -0.04 0.01 0.00 -2.05 0.00 0.00 46.19 44.08 1dwk s LEU 128 CO -0.04 -0.43 0.20 1.51 -0.55 0.00 0.00 176.35 177.04 1dwk s ASP 129 N -2.70 -0.02 -0.15 1.48 -4.77 -1.02 -4.78 116.67 104.72 1dwk s ASP 129 Ca 0.06 -0.21 0.01 0.00 -3.30 0.00 0.00 52.55 49.10 1dwk s ASP 129 Cb 0.02 0.26 -0.00 0.00 -1.09 0.00 0.00 42.92 42.11 1dwk s ASP 129 CO -0.05 -0.47 -0.16 -0.69 0.70 0.00 0.00 175.17 174.51 1dwk s VAL 130 N -1.88 2.63 -0.04 2.11 1.01 -1.26 -1.32 120.40 121.65 1dwk s VAL 130 Ca -0.10 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1dwk s VAL 130 Cb -0.04 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1dwk s VAL 130 CO -0.00 0.52 -0.21 -0.75 0.00 0.00 0.00 175.10 174.66 1dwk s LYS 131 N 0.71 2.09 -0.17 2.72 2.20 -0.14 -5.00 119.74 122.15 1dwk s LYS 131 Ca -0.07 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 54.61 1dwk s LYS 131 Cb -0.16 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 1dwk s LYS 131 CO 0.01 0.35 0.41 0.21 -0.36 0.00 0.00 175.35 175.98 1dwk s LYS 132 N -0.17 4.24 0.17 4.03 2.20 -1.26 -0.95 119.74 127.99 1dwk s LYS 132 Ca -0.01 0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.93 1dwk s LYS 132 Cb -0.12 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1dwk s LYS 132 CO 0.02 0.05 -0.11 0.14 -0.36 0.00 0.00 175.35 175.10 1dwk s VAL 133 N 1.00 1.35 0.45 4.02 -7.23 -0.32 -5.00 120.40 114.66 1dwk s VAL 133 Ca 0.21 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.05 1dwk s VAL 133 Cb -0.15 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 1dwk s VAL 133 CO 0.08 -0.66 1.09 0.00 -0.31 0.00 0.00 175.10 175.31 1dwk s ALA 134 N -3.22 2.98 -0.17 1.32 0.00 -1.26 -0.27 121.76 121.14 1dwk s ALA 134 Ca 0.20 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 1dwk s ALA 134 Cb 0.02 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1dwk s ALA 134 CO 0.03 -0.43 0.66 0.34 0.00 0.00 0.00 175.76 176.37 1dwk s ASP 135 N -1.58 6.76 0.65 0.00 -1.08 -0.16 -4.61 116.67 116.65 1dwk s ASP 135 Ca 0.63 0.93 0.43 0.00 -0.52 0.00 0.00 52.55 54.01 1dwk s ASP 135 Cb -0.23 -2.37 2.22 0.00 -1.46 0.00 0.00 42.92 41.08 1dwk s ASP 135 CO 0.29 -0.25 2.30 -0.65 0.52 0.00 0.00 175.17 177.37 1dwk h PRO 136 N 7.32 0.00 -0.00 4.34 0.11 -1.95 0.20 132.00 142.01 1dwk h PRO 136 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1dwk h PRO 136 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1dwk h PRO 136 CO 0.78 0.00 -0.08 0.39 -0.21 0.00 0.00 178.00 178.88 1dwk n GLU 137 N -3.09 0.03 0.00 1.05 -0.58 -1.26 -5.00 120.64 111.80 1dwk n GLU 137 Ca -0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1dwk n GLU 137 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.49 3.73 0.49 0.62 0.00 0.06 -5.14 105.19 106.43 1dwk n GLY 138 Ca 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.02 -1.87 3.03 -0.02 0.00 -1.25 -4.61 105.19 100.46 1dwk n GLY 139 Ca 0.00 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 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 0.46 0.12 1.61 2.02 -1.26 -0.99 118.70 120.66 1dwk s GLU 140 Ca 0.00 -0.75 0.07 0.00 0.02 0.00 0.00 54.97 54.31 1dwk s GLU 140 Cb 0.00 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 1dwk s GLU 140 CO 0.00 -0.00 -0.17 1.03 0.02 0.00 0.00 175.26 176.14 1dwk s ARG 141 N -1.76 1.07 -0.18 1.61 0.52 0.62 -4.63 118.95 116.21 1dwk s ARG 141 Ca -0.11 -1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 53.82 1dwk s ARG 141 Cb -0.08 -1.14 -0.05 0.00 0.52 0.00 0.00 34.95 34.20 1dwk s ARG 141 CO -0.01 0.24 0.12 0.00 0.02 0.00 0.00 175.30 175.68 1dwk s ALA 142 N -1.65 3.70 -0.36 2.13 0.00 -1.26 -1.18 121.76 123.13 1dwk s ALA 142 Ca 0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 1dwk s ALA 142 Cb -0.08 -2.08 0.07 0.00 0.00 0.00 0.00 23.12 21.03 1dwk s ALA 142 CO 0.04 0.28 0.14 0.08 0.00 0.00 0.00 175.76 176.30 1dwk s VAL 143 N -0.00 3.53 -0.30 0.00 1.01 -0.13 -4.96 120.40 119.55 1dwk s VAL 143 Ca 0.09 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 1dwk s VAL 143 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1dwk s VAL 143 CO -0.00 -0.36 0.11 -0.63 0.00 0.00 0.00 175.10 174.21 1dwk s ILE 144 N 1.30 4.17 -0.28 2.22 1.09 -1.26 -0.97 121.20 127.47 1dwk s ILE 144 Ca 0.01 -0.62 -0.12 0.00 -1.10 0.00 0.00 60.65 58.82 1dwk s ILE 144 Cb -0.21 -3.15 -0.05 0.00 -1.06 0.00 0.00 42.46 37.99 1dwk s ILE 144 CO -0.00 0.06 0.24 -0.89 -0.10 0.00 0.00 174.94 174.25 1dwk s THR 145 N 1.53 5.28 -0.29 2.92 2.01 -0.43 -4.96 115.64 121.69 1dwk s THR 145 Ca 0.03 0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1dwk s THR 145 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1dwk s THR 145 CO 0.04 0.23 0.19 -0.76 -0.69 0.00 0.00 174.62 173.63 1dwk s LEU 146 N 1.84 4.09 -0.37 4.42 1.43 -1.26 -2.44 118.68 126.38 1dwk s LEU 146 Ca 0.09 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 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 0.11 -0.09 0.15 -0.62 0.23 0.00 0.00 176.35 176.13 1dwk s ASP 147 N 1.74 4.03 0.12 2.29 -1.08 -0.27 -5.01 116.67 118.49 1dwk s ASP 147 Ca 0.07 -2.15 0.09 0.00 -0.52 0.00 0.00 52.55 50.04 1dwk s ASP 147 Cb -0.16 -1.09 -0.04 0.00 -1.46 0.00 0.00 42.92 40.17 1dwk s ASP 147 CO 0.10 -0.35 -0.21 -0.83 0.52 0.00 0.00 175.17 174.41 1dwk s GLY 148 N 0.95 1.31 0.30 2.66 0.00 -1.26 -1.19 107.32 110.09 1dwk s GLY 148 Ca 0.13 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.23 1dwk s GLY 148 CO -0.12 -1.34 1.18 1.25 0.00 0.00 0.00 173.10 174.08 1dwk s LYS 149 N -2.14 4.52 -0.08 2.90 2.47 -0.42 -4.60 119.74 122.39 1dwk s LYS 149 Ca 0.09 1.97 -0.28 0.00 -1.56 0.00 0.00 55.97 56.19 1dwk s LYS 149 Cb -0.09 -3.14 -0.02 0.00 -1.46 0.00 0.00 37.83 33.12 1dwk s LYS 149 CO 0.05 0.04 0.93 -0.47 0.16 0.00 0.00 175.35 176.06 1dwk s TYR 150 N -1.10 3.54 -0.21 4.03 5.04 -1.26 -0.42 117.35 126.97 1dwk s TYR 150 Ca 0.47 1.52 -0.01 0.00 -2.44 0.00 0.00 57.07 56.60 1dwk s TYR 150 Cb -0.35 -3.09 0.01 0.00 0.35 0.00 0.00 41.96 38.88 1dwk s TYR 150 CO 0.45 -0.13 -0.12 -0.51 -1.34 0.00 0.00 175.55 173.90 1dwk s LEU 151 N 1.62 2.60 0.45 6.97 1.43 -0.33 -4.97 118.68 126.45 1dwk s LEU 151 Ca 0.46 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 1dwk s LEU 151 Cb -0.19 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 1dwk s LEU 151 CO 0.20 -0.04 1.03 -2.16 0.23 0.00 0.00 176.35 175.61 1dwk s PRO 152 N 1.35 3.96 -0.36 1.29 0.04 -1.26 -1.31 135.00 138.71 1dwk s PRO 152 Ca 0.04 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 1dwk s PRO 152 Cb -0.14 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1dwk s PRO 152 CO -0.08 -0.30 0.33 0.99 0.04 0.00 0.00 177.00 177.98 1dwk s THR 153 N -1.91 5.20 0.18 1.26 2.01 -0.30 -4.86 115.64 117.23 1dwk s THR 153 Ca 0.64 -0.16 0.10 0.00 0.31 0.00 0.00 61.69 62.59 1dwk s THR 153 Cb -0.17 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1dwk s THR 153 CO 0.21 -0.13 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.28 1dwk s LYS 154 N 1.91 1.70 0.73 4.92 1.02 -1.26 -4.63 119.74 124.13 1dwk s LYS 154 Ca 0.09 -1.41 -0.16 0.00 0.02 0.00 0.00 55.97 54.52 1dwk s LYS 154 Cb -0.17 -1.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1dwk s LYS 154 CO 0.11 0.42 1.21 -2.30 -0.92 0.00 0.00 175.35 173.87 1dwk n PRO 155 N 0.27 0.62 0.00 -1.68 -0.02 -1.26 -5.21 135.00 127.72 1dwk n PRO 155 Ca -0.12 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1dwk n PRO 155 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1dwk n PRO 155 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45