#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n ARG 3 N 0.00 3.83 0.00 0.00 0.63 -1.26 -4.92 116.66 114.94 2wdk n ARG 3 Ca 0.00 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2wdk n ARG 3 Cb 0.00 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 31.98 2wdk n ARG 3 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdk n ARG 4 N -1.25 0.00 -1.98 -0.14 1.74 -1.26 -5.06 116.66 108.71 2wdk n ARG 4 Ca 0.01 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 2wdk n ARG 4 Cb 0.14 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.59 2wdk n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdk s ARG 5 N 0.14 3.75 0.00 5.56 3.00 -1.26 -4.84 118.95 125.30 2wdk s ARG 5 Ca 0.00 2.18 0.00 0.00 0.00 0.00 0.00 55.73 57.91 2wdk s ARG 5 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 34.95 32.34 2wdk s ARG 5 CO 0.00 -0.68 0.68 -2.13 0.00 0.00 0.00 175.30 173.17 2wdk n ARG 6 N -0.20 0.70 -1.78 3.54 0.63 -1.26 -4.84 116.66 113.45 2wdk n ARG 6 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2wdk n ARG 6 Cb 0.44 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.19 2wdk n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdk n ALA 7 N 0.61 -1.00 -1.86 5.13 0.00 -1.26 -4.77 120.51 117.36 2wdk n ALA 7 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wdk n ALA 7 Cb 0.34 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 2wdk n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wdk s GLU 8 N 0.00 4.18 0.05 0.00 2.02 -1.26 -4.91 118.70 118.78 2wdk s GLU 8 Ca 0.00 2.43 -0.31 0.00 0.02 0.00 0.00 54.97 57.11 2wdk s GLU 8 Cb 0.00 -3.44 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 2wdk s GLU 8 CO 0.00 -0.73 1.92 0.28 0.02 0.00 0.00 175.26 176.75 2wdk n VAL 9 N 4.48 0.63 -1.22 2.63 0.31 -1.26 -4.93 118.33 118.97 2wdk n VAL 9 Ca 0.16 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 2wdk n VAL 9 Cb 0.39 -2.20 0.08 0.00 -0.91 0.00 0.00 33.84 31.20 2wdk n VAL 9 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdk n ARG 10 N 6.85 0.27 -4.85 5.55 0.63 -1.26 -4.97 116.66 118.88 2wdk n ARG 10 Ca 0.20 0.14 -0.33 0.00 -0.92 0.00 0.00 57.85 56.94 2wdk n ARG 10 Cb 0.38 -1.92 -0.14 0.00 0.45 0.00 0.00 32.46 31.24 2wdk n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wdk s GLN 11 N -2.99 2.82 0.29 -0.14 2.00 -1.26 -5.12 119.66 115.25 2wdk s GLN 11 Ca 0.66 -0.69 -0.05 0.00 -2.00 0.00 0.00 55.36 53.28 2wdk s GLN 11 Cb -0.33 -2.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.96 2wdk s GLN 11 CO 0.57 0.48 0.55 -0.51 -0.50 0.00 0.00 175.29 175.88 2wdk s LEU 12 N -0.35 4.06 -0.22 3.68 1.43 -1.26 -5.09 118.68 120.93 2wdk s LEU 12 Ca 0.03 0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 53.74 2wdk s LEU 12 Cb -0.13 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2wdk s LEU 12 CO 0.02 -0.20 0.12 -1.58 0.23 0.00 0.00 176.35 174.95 2wdk s GLN 13 N -3.57 4.01 0.99 1.70 0.74 -1.26 -4.88 119.66 117.39 2wdk s GLN 13 Ca 0.44 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 55.38 2wdk s GLN 13 Cb -0.11 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 2wdk s GLN 13 CO 0.30 0.12 -0.25 -2.30 -0.55 0.00 0.00 175.29 172.61 2wdk n PRO 14 N 4.07 -0.33 -0.61 1.67 -0.02 -1.26 -4.66 135.00 133.85 2wdk n PRO 14 Ca -0.16 -0.08 -0.28 0.00 -2.02 0.00 0.00 63.50 60.96 2wdk n PRO 14 Cb 0.52 -1.46 0.25 0.00 -0.02 0.00 0.00 33.50 32.79 2wdk n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wdk s ASP 15 N -1.55 0.88 -0.06 2.55 3.68 -1.22 -4.60 116.67 116.35 2wdk s ASP 15 Ca 0.49 1.37 0.12 0.00 2.13 0.00 0.00 52.55 56.66 2wdk s ASP 15 Cb -0.16 -2.12 0.34 0.00 -1.45 0.00 0.00 42.92 39.53 2wdk s ASP 15 CO 0.73 -4.24 1.27 0.18 0.13 0.00 0.00 175.17 173.23 2wdk n LEU 16 N -4.93 3.07 0.08 -1.34 4.77 -1.26 -3.71 117.00 113.68 2wdk n LEU 16 Ca 0.04 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 2wdk n LEU 16 Cb 0.55 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2wdk n LEU 16 CO 0.57 0.69 0.00 0.52 -1.33 0.00 0.00 177.39 177.83 2wdk n VAL 17 N -0.03 0.05 0.78 4.08 0.31 -1.26 -4.85 118.33 117.41 2wdk n VAL 17 Ca 0.13 0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.60 2wdk n VAL 17 Cb 0.56 -0.34 0.23 0.00 -0.91 0.00 0.00 33.84 33.37 2wdk n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wdk n TYR 18 N -3.03 0.25 -2.93 3.52 4.02 -1.26 -5.02 117.16 112.71 2wdk n TYR 18 Ca 0.00 -0.12 -0.18 0.00 -0.01 0.00 0.00 57.90 57.59 2wdk n TYR 18 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 2wdk n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdk n GLY 19 N 1.38 0.09 3.63 2.72 0.00 -1.24 -4.82 105.19 106.95 2wdk n GLY 19 Ca 0.17 0.52 -0.02 0.00 0.00 0.00 0.00 46.02 46.69 2wdk n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdk s ASP 20 N -1.03 -0.49 0.30 1.61 -1.08 -1.26 -4.47 116.67 110.24 2wdk s ASP 20 Ca 0.17 0.78 0.05 0.00 -0.52 0.00 0.00 52.55 53.03 2wdk s ASP 20 Cb -0.02 1.22 0.70 0.00 -1.46 0.00 0.00 42.92 43.36 2wdk s ASP 20 CO 0.39 -0.12 1.80 -0.37 0.52 0.00 0.00 175.17 177.39 2wdk h VAL 21 N 5.02 0.77 0.00 1.11 -1.51 -1.89 0.14 116.25 119.89 2wdk h VAL 21 Ca -0.27 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.90 2wdk h VAL 21 Cb 1.19 -0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 2wdk h VAL 21 CO 0.19 0.15 -0.07 0.25 -1.23 0.00 0.00 177.57 176.86 2wdk h LEU 22 N 0.82 0.00 -0.19 4.19 5.85 -1.96 0.40 115.31 124.42 2wdk h LEU 22 Ca 0.55 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 59.13 2wdk h LEU 22 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2wdk h LEU 22 CO -0.34 0.07 -0.43 0.58 -0.34 0.00 0.00 178.44 177.98 2wdk h VAL 23 N 0.00 1.33 -0.07 1.05 2.07 -1.14 -2.96 116.25 116.53 2wdk h VAL 23 Ca -0.00 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 65.74 2wdk h VAL 23 Cb 0.13 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2wdk h VAL 23 CO 0.01 0.52 -0.37 0.71 0.02 0.00 0.00 177.57 178.46 2wdk h THR 24 N 0.30 1.41 -0.81 2.57 1.35 -1.12 -3.00 112.91 113.62 2wdk h THR 24 Ca -0.00 -1.76 0.16 0.00 -0.55 0.00 0.00 66.41 64.25 2wdk h THR 24 Cb 1.04 2.32 -0.15 0.00 -1.73 0.00 0.00 68.15 69.63 2wdk h THR 24 CO 0.10 0.51 -0.21 0.00 -0.25 0.00 0.00 175.52 175.67 2wdk h ALA 25 N 0.43 0.51 -0.76 6.62 0.00 -0.28 0.83 119.26 126.60 2wdk h ALA 25 Ca -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wdk h ALA 25 Cb 1.02 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2wdk h ALA 25 CO 0.08 -0.41 0.43 0.35 0.00 0.00 0.00 179.25 179.69 2wdk h PHE 26 N -0.00 1.04 -0.16 0.00 3.57 -1.56 -2.66 116.94 117.17 2wdk h PHE 26 Ca 0.38 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 2wdk h PHE 26 Cb 0.59 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2wdk h PHE 26 CO -0.64 0.72 -0.21 0.82 -2.23 0.00 0.00 178.31 176.77 2wdk h ILE 27 N 1.05 1.22 -0.67 1.41 2.04 0.62 -2.67 117.51 120.52 2wdk h ILE 27 Ca 0.27 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2wdk h ILE 27 Cb 0.02 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2wdk h ILE 27 CO -0.05 0.32 0.20 0.78 0.00 0.00 0.00 178.15 179.40 2wdk h ASN 28 N 0.26 0.97 0.50 1.72 2.35 -0.15 -1.84 115.58 119.39 2wdk h ASN 28 Ca 0.05 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 2wdk h ASN 28 Cb 0.52 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2wdk h ASN 28 CO 0.03 0.92 -0.50 0.11 -1.65 0.00 0.00 177.43 176.34 2wdk h LYS 29 N 1.00 0.01 0.00 0.81 1.79 -1.39 -2.06 116.57 116.72 2wdk h LYS 29 Ca 0.22 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 2wdk h LYS 29 Cb 0.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2wdk h LYS 29 CO -0.01 0.51 -0.27 0.82 -1.08 0.00 0.00 179.45 179.42 2wdk h ILE 30 N 0.01 0.63 -2.93 1.86 1.08 -1.12 -3.45 117.51 113.58 2wdk h ILE 30 Ca -0.00 -1.27 -0.53 0.00 -0.39 0.00 0.00 64.86 62.67 2wdk h ILE 30 Cb 0.89 1.84 0.02 0.00 -3.07 0.00 0.00 36.82 36.50 2wdk h ILE 30 CO 0.07 0.26 0.79 -0.32 -0.69 0.00 0.00 178.15 178.26 2wdk s MET 31 N -3.59 4.29 -0.06 2.37 1.75 -0.73 -4.88 119.30 118.45 2wdk s MET 31 Ca 0.01 2.11 0.05 0.00 -1.25 0.00 0.00 55.69 56.61 2wdk s MET 31 Cb 0.10 -3.33 -0.00 0.00 2.84 0.00 0.00 34.83 34.43 2wdk s MET 31 CO 0.65 -0.51 -0.21 1.03 -0.65 0.00 0.00 175.02 175.34 2wdk s ARG 32 N 1.50 2.22 -2.17 4.11 0.52 -1.26 -4.71 118.95 119.16 2wdk s ARG 32 Ca 0.66 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2wdk s ARG 32 Cb -0.37 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2wdk s ARG 32 CO 0.30 0.27 0.00 -0.25 0.02 0.00 0.00 175.30 175.64 2wdk n ASP 33 N 3.17 -5.50 -0.03 0.23 8.00 -1.26 -2.40 116.55 118.76 2wdk n ASP 33 Ca -0.18 0.48 -0.00 0.00 0.71 0.00 0.00 54.79 55.80 2wdk n ASP 33 Cb 0.52 -4.80 -0.00 0.00 -0.02 0.00 0.00 41.12 36.82 2wdk n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdk n GLY 34 N -0.47 0.28 2.01 0.44 0.00 -1.26 -4.87 105.19 101.32 2wdk n GLY 34 Ca -0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 2wdk n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdk n LYS 35 N -0.96 1.29 -0.50 1.61 5.02 -1.01 -4.68 118.16 118.93 2wdk n LYS 35 Ca -0.00 -0.56 0.41 0.00 -2.02 0.00 0.00 58.31 56.14 2wdk n LYS 35 Cb 0.27 -1.69 0.67 0.00 -0.02 0.00 0.00 35.03 34.26 2wdk n LYS 35 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wdk n LYS 36 N 2.39 -0.03 -0.32 1.97 4.81 -1.26 -0.01 118.16 125.72 2wdk n LYS 36 Ca 0.24 1.16 -0.04 0.00 -0.87 0.00 0.00 58.31 58.80 2wdk n LYS 36 Cb 0.60 -2.36 0.08 0.00 0.02 0.00 0.00 35.03 33.38 2wdk n LYS 36 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2wdk h ASN 37 N 0.00 1.02 -0.46 3.14 -0.73 -2.00 -2.48 115.58 114.05 2wdk h ASN 37 Ca 0.85 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.95 2wdk h ASN 37 Cb 2.88 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 41.20 2wdk h ASN 37 CO -0.36 0.77 0.21 0.25 -0.37 0.00 0.00 177.43 177.93 2wdk h LEU 38 N 1.18 0.62 -2.25 0.34 5.85 -0.83 -2.39 115.31 117.83 2wdk h LEU 38 Ca 0.31 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2wdk h LEU 38 Cb -0.08 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2wdk h LEU 38 CO -0.06 0.59 -0.01 0.00 -0.34 0.00 0.00 178.44 178.62 2wdk h ALA 39 N 1.06 1.71 0.22 1.25 0.00 -1.46 -2.39 119.26 119.64 2wdk h ALA 39 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wdk h ALA 39 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wdk h ALA 39 CO -0.02 0.01 -0.10 0.00 0.00 0.00 0.00 179.25 179.14 2wdk h ALA 40 N 1.99 -0.69 -0.70 0.00 0.00 -1.00 -2.72 119.26 116.15 2wdk h ALA 40 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wdk h ALA 40 Cb 0.02 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 2wdk h ALA 40 CO 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 179.25 178.16 2wdk h ARG 41 N -0.43 -0.01 -0.88 0.00 3.08 -1.40 -0.57 114.38 114.18 2wdk h ARG 41 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.12 2wdk h ARG 41 Cb 0.22 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.16 2wdk h ARG 41 CO 0.05 -0.01 -0.44 -0.89 -1.07 0.00 0.00 179.97 177.61 2wdk n ILE 42 N -4.61 -0.54 0.07 2.04 5.41 -0.91 0.41 119.36 121.23 2wdk n ILE 42 Ca 0.01 2.10 -0.13 0.00 1.00 0.00 0.00 62.75 65.73 2wdk n ILE 42 Cb 0.19 -2.66 -0.06 0.00 -0.71 0.00 0.00 39.64 36.39 2wdk n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wdk h PHE 43 N 0.00 -1.03 -0.37 1.39 3.57 -0.78 -2.54 116.94 117.17 2wdk h PHE 43 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2wdk h PHE 43 Cb 0.43 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2wdk h PHE 43 CO -0.85 -0.46 0.24 1.88 -2.23 0.00 0.00 178.31 176.89 2wdk h TYR 44 N -0.54 0.44 -0.60 0.41 0.99 -0.36 -0.54 116.97 116.77 2wdk h TYR 44 Ca 0.05 0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.97 2wdk h TYR 44 Cb 0.61 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.17 2wdk h TYR 44 CO -0.37 0.27 0.60 -0.44 -0.00 0.00 0.00 178.16 178.22 2wdk h ASP 45 N 0.48 0.00 0.12 3.88 3.45 0.24 1.01 116.42 125.60 2wdk h ASP 45 Ca 0.14 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.38 2wdk h ASP 45 Cb -0.03 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.74 2wdk h ASP 45 CO -0.04 0.00 -1.04 0.00 -1.57 0.00 0.00 179.24 176.58 2wdk h ALA 46 N 1.36 0.03 -0.93 3.45 0.00 -0.77 -2.94 119.26 119.46 2wdk h ALA 46 Ca 0.28 -0.87 0.26 0.00 0.00 0.00 0.00 54.91 54.59 2wdk h ALA 46 Cb 1.48 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 2wdk h ALA 46 CO -0.00 0.56 0.66 0.00 0.00 0.00 0.00 179.25 180.46 2wdk h LYS 48 N 0.10 0.00 0.00 0.00 1.57 -0.76 -2.68 116.57 114.81 2wdk h LYS 48 Ca 0.46 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.21 2wdk h LYS 48 Cb 1.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 2wdk h LYS 48 CO -0.06 0.63 -0.15 0.82 -0.57 0.00 0.00 179.45 180.12 2wdk h ILE 49 N 0.00 0.40 0.10 1.86 1.08 0.22 0.24 117.51 121.42 2wdk h ILE 49 Ca -0.01 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 2wdk h ILE 49 Cb 1.46 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.84 2wdk h ILE 49 CO 0.08 0.15 -0.05 0.40 -0.69 0.00 0.00 178.15 178.04 2wdk h ILE 50 N 0.00 0.00 -1.16 -0.67 1.08 -0.71 0.34 117.51 116.39 2wdk h ILE 50 Ca -0.00 -0.14 0.34 0.00 -0.39 0.00 0.00 64.86 64.67 2wdk h ILE 50 Cb 0.62 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.26 2wdk h ILE 50 CO 0.02 0.00 0.75 1.56 -0.69 0.00 0.00 178.15 179.79 2wdk h GLN 51 N -0.28 0.24 0.00 2.37 1.08 -1.45 -1.34 115.11 115.74 2wdk h GLN 51 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2wdk h GLN 51 Cb 0.11 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2wdk h GLN 51 CO 0.02 0.16 0.00 0.39 -0.95 0.00 0.00 178.83 178.45 2wdk n GLU 52 N -4.65 0.00 -1.15 1.46 -0.58 0.07 -3.93 120.64 111.85 2wdk n GLU 52 Ca 0.30 0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.92 2wdk n GLU 52 Cb 1.12 -0.97 -0.11 0.00 -0.57 0.00 0.00 31.44 30.91 2wdk n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdk n LYS 53 N -0.83 2.72 0.00 3.49 5.02 0.12 -4.76 118.16 123.92 2wdk n LYS 53 Ca 0.00 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 2wdk n LYS 53 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 2wdk n LYS 53 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2wdk n THR 54 N 2.87 0.00 -0.96 -0.18 5.66 -0.55 -4.84 114.28 116.27 2wdk n THR 54 Ca 0.58 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.36 2wdk n THR 54 Cb 0.63 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.47 2wdk n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdk n GLY 55 N -1.67 4.52 3.75 1.09 0.00 -1.26 -3.58 105.19 108.04 2wdk n GLY 55 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 2wdk n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdk s GLN 56 N -2.37 2.77 -0.28 1.61 -1.52 -1.26 -5.04 119.66 113.56 2wdk s GLN 56 Ca 0.40 -0.80 -0.14 0.00 -1.95 0.00 0.00 55.36 52.87 2wdk s GLN 56 Cb 0.32 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.44 2wdk s GLN 56 CO 0.00 0.53 0.35 -1.83 -0.25 0.00 0.00 175.29 174.09 2wdk s GLU 57 N -2.56 3.94 0.26 2.91 1.03 -1.26 -3.78 118.70 119.24 2wdk s GLU 57 Ca 0.29 -0.08 0.05 0.00 0.03 0.00 0.00 54.97 55.26 2wdk s GLU 57 Cb -0.11 -3.68 0.72 0.00 -0.80 0.00 0.00 34.13 30.26 2wdk s GLU 57 CO 0.21 -0.30 1.26 -2.30 -1.33 0.00 0.00 175.26 172.80 2wdk n PRO 58 N 5.30 -0.06 0.29 -4.83 -0.02 -1.26 0.14 135.00 134.56 2wdk n PRO 58 Ca -0.09 1.18 0.11 0.00 -2.02 0.00 0.00 63.50 62.68 2wdk n PRO 58 Cb 0.51 -1.93 0.51 0.00 -0.02 0.00 0.00 33.50 32.56 2wdk n PRO 58 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdk h LEU 59 N 0.00 0.00 0.00 2.45 5.85 -1.97 -2.09 115.31 119.54 2wdk h LEU 59 Ca 0.53 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.18 2wdk h LEU 59 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2wdk h LEU 59 CO -0.73 0.00 -1.24 1.17 -0.34 0.00 0.00 178.44 177.31 2wdk n LYS 60 N -2.83 0.54 0.00 1.25 3.00 0.38 -3.97 118.16 116.53 2wdk n LYS 60 Ca 0.01 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 2wdk n LYS 60 Cb 0.67 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.26 2wdk n LYS 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wdk n VAL 61 N -4.43 0.00 -0.34 3.15 0.31 -0.96 -1.32 118.33 114.75 2wdk n VAL 61 Ca -0.20 1.49 0.06 0.00 -0.01 0.00 0.00 64.34 65.67 2wdk n VAL 61 Cb 0.57 -2.11 0.15 0.00 -0.91 0.00 0.00 33.84 31.54 2wdk n VAL 61 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wdk h PHE 62 N 0.00 -0.44 -1.02 3.52 3.57 -1.67 0.84 116.94 121.73 2wdk h PHE 62 Ca 0.00 0.08 0.25 0.00 3.53 0.00 0.00 57.97 61.83 2wdk h PHE 62 Cb 0.00 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 38.99 2wdk h PHE 62 CO -0.64 -0.41 0.65 -0.22 -2.23 0.00 0.00 178.31 175.46 2wdk h LYS 63 N 0.00 0.45 0.12 1.11 1.63 -1.33 -0.41 116.57 118.15 2wdk h LYS 63 Ca 0.47 -0.03 -0.34 0.00 -0.85 0.00 0.00 60.65 59.90 2wdk h LYS 63 Cb 0.75 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2wdk h LYS 63 CO -0.96 0.30 -1.80 0.37 -3.45 0.00 0.00 179.45 173.91 2wdk h GLN 64 N 0.47 0.25 -0.64 1.90 5.75 0.16 -3.23 115.11 119.77 2wdk h GLN 64 Ca 0.59 -0.44 0.08 0.00 -0.15 0.00 0.00 58.65 58.74 2wdk h GLN 64 Cb 1.37 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 30.02 2wdk h GLN 64 CO -0.33 1.11 0.30 0.00 -2.65 0.00 0.00 178.83 177.26 2wdk h ALA 65 N 0.31 0.85 -0.20 3.38 0.00 0.18 0.30 119.26 124.10 2wdk h ALA 65 Ca -0.35 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2wdk h ALA 65 Cb 2.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2wdk h ALA 65 CO 0.12 -0.09 0.01 0.28 0.00 0.00 0.00 179.25 179.57 2wdk h VAL 66 N 0.53 1.12 -0.03 0.00 2.07 -1.24 -3.11 116.25 115.58 2wdk h VAL 66 Ca 0.31 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2wdk h VAL 66 Cb 0.32 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2wdk h VAL 66 CO -0.26 0.15 -0.21 -0.08 0.02 0.00 0.00 177.57 177.20 2wdk h GLU 67 N 0.28 0.20 -0.18 1.57 4.57 -0.52 -3.12 114.58 117.37 2wdk h GLU 67 Ca 0.07 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2wdk h GLU 67 Cb 0.17 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2wdk h GLU 67 CO 0.00 0.84 0.00 0.09 -1.18 0.00 0.00 179.01 178.76 2wdk n ASN 68 N -4.55 0.18 0.00 1.04 3.02 0.08 -2.22 115.26 112.82 2wdk n ASN 68 Ca -0.09 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2wdk n ASN 68 Cb 0.45 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2wdk n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wdk n VAL 69 N -0.31 0.00 -2.28 2.41 0.31 -1.20 -4.68 118.33 112.57 2wdk n VAL 69 Ca 0.00 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 2wdk n VAL 69 Cb 0.05 1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 34.13 2wdk n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wdk s LYS 70 N -0.26 3.40 -0.41 5.55 1.02 -0.94 -4.41 119.74 123.68 2wdk s LYS 70 Ca 0.00 0.87 -0.27 0.00 0.02 0.00 0.00 55.97 56.58 2wdk s LYS 70 Cb 0.00 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 2wdk s LYS 70 CO 0.00 -1.79 1.97 -1.25 -0.92 0.00 0.00 175.35 173.36 2wdk s PRO 71 N 5.34 2.92 0.28 -1.68 0.04 -1.26 -4.88 135.00 135.77 2wdk s PRO 71 Ca 0.62 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.98 2wdk s PRO 71 Cb -0.14 -4.33 0.66 0.00 0.04 0.00 0.00 34.50 30.72 2wdk s PRO 71 CO 0.30 -2.35 1.75 -0.09 0.04 0.00 0.00 177.00 176.65 2wdk h ARG 72 N 14.81 0.61 -2.70 4.56 9.65 -1.93 -3.42 114.38 135.97 2wdk h ARG 72 Ca -0.31 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.43 2wdk h ARG 72 Cb 1.19 -0.14 -0.20 0.00 -1.39 0.00 0.00 29.97 29.43 2wdk h ARG 72 CO 1.09 0.40 -0.14 -1.64 2.80 0.00 0.00 179.97 182.49 2wdk s MET 73 N -5.91 0.74 0.27 0.20 -1.94 -1.26 -3.38 119.30 108.03 2wdk s MET 73 Ca -0.12 0.07 0.03 0.00 -1.71 0.00 0.00 55.69 53.97 2wdk s MET 73 Cb 0.24 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.38 2wdk s MET 73 CO 0.79 -0.20 0.20 -1.83 -0.01 0.00 0.00 175.02 173.97 2wdk s GLU 74 N -1.01 1.49 -0.23 2.03 -1.05 -0.56 -3.90 118.70 115.47 2wdk s GLU 74 Ca -0.10 -1.84 -0.05 0.00 -0.15 0.00 0.00 54.97 52.83 2wdk s GLU 74 Cb -0.04 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2wdk s GLU 74 CO 0.05 -0.52 -0.00 0.14 0.95 0.00 0.00 175.26 175.88 2wdk s VAL 75 N -3.78 3.73 -0.20 1.83 -7.23 -1.26 -0.27 120.40 113.21 2wdk s VAL 75 Ca 0.40 -0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 60.14 2wdk s VAL 75 Cb 0.05 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2wdk s VAL 75 CO 0.20 0.39 0.02 -0.13 -0.31 0.00 0.00 175.10 175.27 2wdk s ARG 76 N 1.52 3.70 -0.23 4.82 0.52 -0.35 -4.96 118.95 123.97 2wdk s ARG 76 Ca 0.06 -0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 2wdk s ARG 76 Cb -0.15 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 2wdk s ARG 76 CO -0.01 0.06 1.34 0.45 0.02 0.00 0.00 175.30 177.17 2wdk s SER 77 N 0.89 6.74 0.37 0.23 0.15 -1.26 -2.87 113.70 117.94 2wdk s SER 77 Ca 0.02 1.49 0.08 0.00 0.70 0.00 0.00 55.95 58.24 2wdk s SER 77 Cb -0.14 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2wdk s SER 77 CO 0.02 -0.98 0.12 -0.60 1.20 0.00 0.00 173.24 173.00 2wdk s ARG 78 N 3.97 2.23 0.11 5.44 6.06 -0.92 -4.97 118.95 130.88 2wdk s ARG 78 Ca 0.58 -1.72 0.07 0.00 -2.50 0.00 0.00 55.73 52.17 2wdk s ARG 78 Cb -0.20 -2.03 -0.04 0.00 0.06 0.00 0.00 34.95 32.73 2wdk s ARG 78 CO 0.21 0.03 -0.08 1.03 -2.50 0.00 0.00 175.30 173.99 2wdk s ARG 79 N -3.83 2.19 0.00 5.12 1.81 -1.26 -3.17 118.95 119.81 2wdk s ARG 79 Ca 0.38 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 2wdk s ARG 79 Cb 0.01 -2.33 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 2wdk s ARG 79 CO 0.22 0.51 0.00 1.33 -0.68 0.00 0.00 175.30 176.67 2wdk n VAL 80 N 0.61 0.00 0.00 3.52 0.24 -1.24 -5.00 118.33 116.46 2wdk n VAL 80 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2wdk n VAL 80 Cb 0.52 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2wdk n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdk n GLY 81 N 0.00 0.88 4.59 7.63 0.00 -1.26 -4.85 105.19 112.18 2wdk n GLY 81 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2wdk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLY 82 N 1.06 1.08 3.60 -0.02 0.00 -1.26 -4.76 105.19 104.88 2wdk n GLY 82 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2wdk n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk s ALA 83 N -0.12 -1.83 -1.09 4.61 0.00 -1.26 -5.08 121.76 116.99 2wdk s ALA 83 Ca 0.00 1.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2wdk s ALA 83 Cb 0.00 -0.87 0.30 0.00 0.00 0.00 0.00 23.12 22.56 2wdk s ALA 83 CO 0.00 -0.32 1.41 0.09 0.00 0.00 0.00 175.76 176.94 2wdk n ASN 84 N 1.90 6.25 -4.49 0.00 3.02 -1.26 -3.66 115.26 117.02 2wdk n ASN 84 Ca -0.15 -3.34 -0.34 0.00 -0.03 0.00 0.00 54.58 50.72 2wdk n ASN 84 Cb 0.56 -1.29 0.10 0.00 -0.61 0.00 0.00 39.78 38.54 2wdk n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wdk n TYR 85 N 1.59 -0.65 -3.78 3.10 0.53 -1.19 -4.76 117.16 112.01 2wdk n TYR 85 Ca 0.26 0.32 -0.32 0.00 -1.02 0.00 0.00 57.90 57.13 2wdk n TYR 85 Cb 0.34 -1.90 -0.09 0.00 -1.03 0.00 0.00 39.34 36.66 2wdk n TYR 85 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 2wdk s GLN 86 N -3.34 2.84 0.32 -0.72 -0.21 -1.26 -2.16 119.66 115.13 2wdk s GLN 86 Ca 0.64 -3.29 -0.29 0.00 0.02 0.00 0.00 55.36 52.44 2wdk s GLN 86 Cb -0.29 -3.68 -0.11 0.00 1.00 0.00 0.00 33.01 29.94 2wdk s GLN 86 CO 0.60 -1.27 1.50 0.08 -2.12 0.00 0.00 175.29 174.08 2wdk s VAL 87 N -1.36 2.21 0.06 1.09 1.01 -1.14 -4.76 120.40 117.50 2wdk s VAL 87 Ca 0.26 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2wdk s VAL 87 Cb -0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2wdk s VAL 87 CO -0.14 0.04 0.17 -2.16 0.00 0.00 0.00 175.10 173.01 2wdk s PRO 88 N -1.23 3.30 0.07 2.72 0.04 -1.26 -1.21 135.00 137.42 2wdk s PRO 88 Ca 0.57 -0.49 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 2wdk s PRO 88 Cb -0.46 -2.97 0.09 0.00 0.04 0.00 0.00 34.50 31.20 2wdk s PRO 88 CO 0.54 0.61 1.03 0.00 0.04 0.00 0.00 177.00 179.21 2wdk s MET 89 N -2.41 0.90 0.89 4.56 0.23 0.62 -4.79 119.30 119.30 2wdk s MET 89 Ca 0.33 -0.46 -0.11 0.00 -1.03 0.00 0.00 55.69 54.42 2wdk s MET 89 Cb -0.13 0.33 0.13 0.00 -1.53 0.00 0.00 34.83 33.63 2wdk s MET 89 CO 0.25 -0.41 1.15 -1.21 -2.03 0.00 0.00 175.02 172.78 2wdk s GLU 90 N -3.02 1.21 -0.22 3.16 2.02 -1.26 -1.49 118.70 119.10 2wdk s GLU 90 Ca 0.11 1.56 -0.02 0.00 0.02 0.00 0.00 54.97 56.64 2wdk s GLU 90 Cb 0.00 -1.75 0.01 0.00 0.10 0.00 0.00 34.13 32.49 2wdk s GLU 90 CO -0.02 -2.49 -0.08 0.08 0.02 0.00 0.00 175.26 172.77 2wdk s VAL 91 N -2.59 2.94 0.21 2.63 1.01 -1.22 -4.76 120.40 118.63 2wdk s VAL 91 Ca 0.67 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2wdk s VAL 91 Cb -0.23 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.64 2wdk s VAL 91 CO 0.56 0.40 1.12 -0.24 0.00 0.00 0.00 175.10 176.95 2wdk n SER 92 N 4.73 1.39 -0.35 3.32 2.88 -1.26 -4.46 113.62 119.87 2wdk n SER 92 Ca -0.18 1.15 0.24 0.00 -1.33 0.00 0.00 58.87 58.75 2wdk n SER 92 Cb 0.50 -1.25 0.49 0.00 -0.75 0.00 0.00 64.21 63.20 2wdk n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wdk h PRO 93 N 2.99 0.37 0.25 -1.46 0.13 -1.98 0.71 132.00 133.02 2wdk h PRO 93 Ca -0.42 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wdk h PRO 93 Cb 1.34 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2wdk h PRO 93 CO 0.67 0.24 -0.39 0.00 -0.23 0.00 0.00 178.00 178.30 2wdk h ARG 94 N 0.38 -0.65 -0.68 0.86 3.08 -1.99 0.21 114.38 115.59 2wdk h ARG 94 Ca 0.67 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.80 2wdk h ARG 94 Cb 1.63 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.78 2wdk h ARG 94 CO -0.43 -0.43 0.42 -0.09 -1.07 0.00 0.00 179.97 178.37 2wdk h ARG 95 N -0.67 0.79 -0.94 0.04 2.43 -1.27 0.81 114.38 115.57 2wdk h ARG 95 Ca -0.03 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.23 2wdk h ARG 95 Cb 0.62 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 2wdk h ARG 95 CO -0.12 0.52 0.60 0.37 -1.51 0.00 0.00 179.97 179.83 2wdk h GLN 96 N 0.81 0.79 0.05 0.20 4.15 0.77 0.72 115.11 122.60 2wdk h GLN 96 Ca 0.28 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2wdk h GLN 96 Cb 0.05 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.56 2wdk h GLN 96 CO -0.12 0.52 -0.02 0.37 -1.93 0.00 0.00 178.83 177.65 2wdk h GLN 97 N 0.81 -0.07 -0.78 1.69 4.15 0.29 -3.04 115.11 118.17 2wdk h GLN 97 Ca 0.47 0.00 0.16 0.00 0.77 0.00 0.00 58.65 60.06 2wdk h GLN 97 Cb 0.64 0.02 -0.15 0.00 0.21 0.00 0.00 27.48 28.20 2wdk h GLN 97 CO -0.24 0.36 -0.15 0.77 -1.93 0.00 0.00 178.83 177.64 2wdk h SER 98 N -0.98 -0.66 0.50 -0.69 0.02 -0.48 0.33 113.55 111.60 2wdk h SER 98 Ca -0.01 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2wdk h SER 98 Cb 0.46 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2wdk h SER 98 CO 0.01 -0.25 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.12 2wdk h LEU 99 N 0.02 -0.63 -0.81 5.07 3.38 -1.00 -0.18 115.31 121.16 2wdk h LEU 99 Ca 0.39 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.48 2wdk h LEU 99 Cb 0.62 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 2wdk h LEU 99 CO -0.79 -0.43 -0.52 0.00 0.09 0.00 0.00 178.44 176.80 2wdk h ALA 100 N -1.62 -0.43 -0.46 1.53 0.00 -1.21 0.48 119.26 117.56 2wdk h ALA 100 Ca -0.07 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2wdk h ALA 100 Cb 0.54 1.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 2wdk h ALA 100 CO 0.10 -0.90 -0.39 -0.07 0.00 0.00 0.00 179.25 177.99 2wdk h LEU 101 N -0.12 -1.32 0.57 0.00 3.38 -0.32 -1.72 115.31 115.78 2wdk h LEU 101 Ca 0.18 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 2wdk h LEU 101 Cb 0.51 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2wdk h LEU 101 CO -0.83 -0.34 -0.46 -0.09 0.09 0.00 0.00 178.44 176.81 2wdk h ARG 102 N -0.27 -0.96 -0.74 1.13 2.43 0.14 -2.99 114.38 113.12 2wdk h ARG 102 Ca 0.17 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.56 2wdk h ARG 102 Cb 0.57 0.22 -0.13 0.00 -0.42 0.00 0.00 29.97 30.20 2wdk h ARG 102 CO -0.60 -0.64 -0.04 -1.49 -1.51 0.00 0.00 179.97 175.69 2wdk h TRP 103 N -0.99 -0.13 -0.27 2.20 6.55 0.01 0.09 115.95 123.41 2wdk h TRP 103 Ca -0.07 0.06 0.05 0.00 0.95 0.00 0.00 58.89 59.87 2wdk h TRP 103 Cb 0.83 0.17 -0.08 0.00 -0.86 0.00 0.00 29.16 29.23 2wdk h TRP 103 CO -0.17 -0.26 -0.49 -0.07 -1.05 0.00 0.00 178.44 176.40 2wdk h LEU 104 N 0.08 -1.59 -0.33 -4.49 -0.00 -1.22 0.37 115.31 108.12 2wdk h LEU 104 Ca 0.39 0.21 0.07 0.00 -0.00 0.00 0.00 57.88 58.55 2wdk h LEU 104 Cb 0.67 0.65 -0.08 0.00 -0.00 0.00 0.00 40.66 41.90 2wdk h LEU 104 CO -0.68 -0.42 -0.39 0.58 -0.00 0.00 0.00 178.44 177.53 2wdk h VAL 105 N -0.45 0.17 0.02 1.22 2.07 -0.89 -1.19 116.25 117.19 2wdk h VAL 105 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2wdk h VAL 105 Cb 0.63 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2wdk h VAL 105 CO -0.50 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 178.51 2wdk h GLN 106 N -0.34 -0.18 -1.17 1.57 4.20 0.08 -1.72 115.11 117.56 2wdk h GLN 106 Ca 0.13 0.01 0.39 0.00 0.06 0.00 0.00 58.65 59.25 2wdk h GLN 106 Cb 0.58 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.26 2wdk h GLN 106 CO -0.52 -0.12 0.72 0.00 -0.67 0.00 0.00 178.83 178.24 2wdk h ALA 107 N -1.26 2.41 -0.27 3.87 0.00 -0.10 0.39 119.26 124.29 2wdk h ALA 107 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wdk h ALA 107 Cb 0.19 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wdk h ALA 107 CO -0.08 -1.04 0.04 0.00 0.00 0.00 0.00 179.25 178.16 2wdk h ALA 108 N 1.73 0.36 0.00 0.00 0.00 -0.44 -2.68 119.26 118.22 2wdk h ALA 108 Ca 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2wdk h ALA 108 Cb 2.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2wdk h ALA 108 CO -0.51 0.06 0.00 0.09 0.00 0.00 0.00 179.25 178.89 2wdk n ASN 109 N -4.65 0.05 -0.05 0.00 3.02 0.13 -2.05 115.26 111.71 2wdk n ASN 109 Ca -0.03 -1.10 -0.05 0.00 -0.03 0.00 0.00 54.58 53.37 2wdk n ASN 109 Cb 0.21 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.29 2wdk n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdk n GLN 110 N -0.44 2.21 -1.66 3.52 6.02 -1.02 -5.01 117.38 121.00 2wdk n GLN 110 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 2wdk n GLN 110 Cb 0.01 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.05 2wdk n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wdk n ARG 111 N -2.41 1.62 0.00 -1.09 1.74 -0.87 -4.88 116.66 110.77 2wdk n ARG 111 Ca -0.16 0.58 0.03 0.00 -0.77 0.00 0.00 57.85 57.53 2wdk n ARG 111 Cb 0.79 -2.25 0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2wdk n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wdk n PRO 112 N -0.07 0.07 -1.84 5.56 -0.04 -1.26 -4.82 135.00 132.60 2wdk n PRO 112 Ca 0.08 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 2wdk n PRO 112 Cb 0.40 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2wdk n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wdk s GLU 113 N -2.64 4.17 -0.00 0.54 0.41 -1.26 -4.92 118.70 114.99 2wdk s GLU 113 Ca 0.05 2.49 -0.25 0.00 -0.41 0.00 0.00 54.97 56.85 2wdk s GLU 113 Cb 0.04 -3.08 -0.19 0.00 -1.78 0.00 0.00 34.13 29.12 2wdk s GLU 113 CO 0.10 -0.63 1.33 0.00 -0.49 0.00 0.00 175.26 175.57 2wdk h ARG 114 N 5.91 0.05 -7.31 1.61 2.47 -2.01 -3.45 114.38 111.65 2wdk h ARG 114 Ca -0.45 -0.02 -0.51 0.00 -1.26 0.00 0.00 59.98 57.74 2wdk h ARG 114 Cb 1.21 -0.00 0.12 0.00 -1.65 0.00 0.00 29.97 29.64 2wdk h ARG 114 CO 0.87 0.47 0.34 1.03 0.56 0.00 0.00 179.97 183.24 2wdk s ARG 115 N -4.49 2.55 0.00 0.04 0.52 -1.26 -5.04 118.95 111.27 2wdk s ARG 115 Ca -0.15 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 2wdk s ARG 115 Cb 0.03 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.56 2wdk s ARG 115 CO 0.68 -1.41 0.13 0.00 0.02 0.00 0.00 175.30 174.71 2wdk n ALA 116 N -3.27 -0.01 -0.29 2.13 0.00 -1.26 -3.78 120.51 114.03 2wdk n ALA 116 Ca 0.09 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.76 2wdk n ALA 116 Cb 0.53 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.41 2wdk n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdk n ALA 117 N -0.64 0.76 -0.19 0.00 0.00 -1.26 0.61 120.51 119.79 2wdk n ALA 117 Ca 0.00 0.93 -0.00 0.00 0.00 0.00 0.00 53.44 54.36 2wdk n ALA 117 Cb 0.00 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 18.71 2wdk n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wdk h VAL 118 N 0.00 0.73 0.82 0.00 -1.51 -1.89 1.72 116.25 116.12 2wdk h VAL 118 Ca 0.68 -0.11 -0.04 0.00 -1.23 0.00 0.00 66.70 66.00 2wdk h VAL 118 Cb 1.70 0.37 0.01 0.00 -2.13 0.00 0.00 31.29 31.23 2wdk h VAL 118 CO -0.74 0.06 -0.39 0.03 -1.23 0.00 0.00 177.57 175.30 2wdk h ARG 119 N 0.33 -1.06 -0.46 5.19 3.08 0.08 0.21 114.38 121.75 2wdk h ARG 119 Ca 0.30 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.51 2wdk h ARG 119 Cb 0.39 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 30.59 2wdk h ARG 119 CO -0.33 -0.70 -0.17 0.82 -1.07 0.00 0.00 179.97 178.52 2wdk h ILE 120 N -1.18 0.44 0.40 2.04 1.08 -0.91 0.79 117.51 120.17 2wdk h ILE 120 Ca -0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2wdk h ILE 120 Cb 0.85 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2wdk h ILE 120 CO 0.18 0.00 -0.34 0.00 -0.69 0.00 0.00 178.15 177.31 2wdk h ALA 121 N 1.32 -1.07 -0.73 1.87 0.00 0.27 0.52 119.26 121.45 2wdk h ALA 121 Ca 0.22 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2wdk h ALA 121 Cb 0.41 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 2wdk h ALA 121 CO -0.51 -1.07 0.25 0.45 0.00 0.00 0.00 179.25 178.36 2wdk h HIS 122 N -0.72 0.41 -0.73 0.00 3.86 -0.09 -0.55 115.15 117.33 2wdk h HIS 122 Ca -0.05 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2wdk h HIS 122 Cb 0.61 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 2wdk h HIS 122 CO -0.14 0.00 0.47 1.49 0.86 0.00 0.00 177.93 180.61 2wdk h GLU 123 N 0.37 0.97 -0.65 2.45 4.57 0.84 -1.21 114.58 121.91 2wdk h GLU 123 Ca 0.41 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 2wdk h GLU 123 Cb 0.65 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2wdk h GLU 123 CO -0.44 0.66 0.20 -0.07 -1.18 0.00 0.00 179.01 178.17 2wdk h LEU 124 N 0.99 0.95 0.00 1.64 3.38 0.58 -0.90 115.31 121.95 2wdk h LEU 124 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wdk h LEU 124 Cb -0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 2wdk h LEU 124 CO -0.05 0.91 -0.02 0.24 0.09 0.00 0.00 178.44 179.61 2wdk h MET 125 N 0.94 -0.04 -0.56 1.13 2.86 -0.70 0.41 114.93 118.98 2wdk h MET 125 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2wdk h MET 125 Cb 0.31 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2wdk h MET 125 CO -0.01 -0.02 0.35 -0.44 1.06 0.00 0.00 176.91 177.85 2wdk h ASP 126 N -0.04 0.66 0.81 1.22 3.45 -1.12 0.17 116.42 121.57 2wdk h ASP 126 Ca 0.01 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.39 2wdk h ASP 126 Cb 0.05 -0.17 0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2wdk h ASP 126 CO -0.02 0.50 -0.39 0.00 -1.57 0.00 0.00 179.24 177.76 2wdk h ALA 127 N 1.18 -1.19 -0.52 3.45 0.00 -0.85 0.79 119.26 122.12 2wdk h ALA 127 Ca 0.20 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2wdk h ALA 127 Cb -0.05 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 2wdk h ALA 127 CO -0.04 -1.11 -0.24 0.00 0.00 0.00 0.00 179.25 177.87 2wdk h ALA 128 N -1.40 0.13 -0.66 0.00 0.00 -0.12 0.73 119.26 117.94 2wdk h ALA 128 Ca -0.11 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2wdk h ALA 128 Cb 0.84 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2wdk h ALA 128 CO 0.18 -0.57 0.33 1.49 0.00 0.00 0.00 179.25 180.69 2wdk h GLU 129 N -0.11 0.57 0.00 0.00 4.81 -0.61 -3.43 114.58 115.81 2wdk h GLU 129 Ca 0.24 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wdk h GLU 129 Cb 0.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2wdk h GLU 129 CO -0.60 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 178.47 2wdk n GLY 130 N -1.29 0.63 1.69 1.92 0.00 0.25 -5.08 105.19 103.31 2wdk n GLY 130 Ca 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 2wdk n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdk n LYS 131 N 0.00 0.39 -3.98 1.61 2.85 0.23 -4.97 118.16 114.28 2wdk n LYS 131 Ca 0.00 -0.41 -0.21 0.00 -1.05 0.00 0.00 58.31 56.64 2wdk n LYS 131 Cb 0.00 0.21 -0.02 0.00 -0.65 0.00 0.00 35.03 34.57 2wdk n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wdk s GLY 132 N -0.38 1.24 0.55 2.58 0.00 -1.20 -4.78 107.32 105.33 2wdk s GLY 132 Ca 0.03 -1.24 0.27 0.00 0.00 0.00 0.00 44.72 43.78 2wdk s GLY 132 CO -0.04 -1.26 1.96 -1.33 0.00 0.00 0.00 173.10 172.43 2wdk h GLY 133 N 1.23 0.00 0.97 0.20 0.00 -1.92 0.77 103.07 104.32 2wdk h GLY 133 Ca -0.52 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2wdk h GLY 133 CO 0.61 0.00 0.21 0.00 0.00 0.00 0.00 176.54 177.36 2wdk h ALA 134 N 1.65 0.67 -0.10 3.60 0.00 -1.92 0.15 119.26 123.31 2wdk h ALA 134 Ca 0.27 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2wdk h ALA 134 Cb 1.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wdk h ALA 134 CO -0.00 0.27 -0.63 0.28 0.00 0.00 0.00 179.25 179.17 2wdk h VAL 135 N 0.69 1.36 -0.22 0.00 2.07 0.02 -2.45 116.25 117.73 2wdk h VAL 135 Ca 0.17 -1.98 0.05 0.00 0.82 0.00 0.00 66.70 65.76 2wdk h VAL 135 Cb 0.19 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 2wdk h VAL 135 CO -0.01 0.60 -0.13 0.50 0.02 0.00 0.00 177.57 178.54 2wdk h LYS 136 N 0.28 -0.11 0.00 1.57 3.11 0.59 0.23 116.57 122.24 2wdk h LYS 136 Ca -0.01 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2wdk h LYS 136 Cb 1.17 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2wdk h LYS 136 CO 0.11 -0.08 -0.01 0.87 -2.81 0.00 0.00 179.45 177.53 2wdk h LYS 137 N -0.12 0.00 0.12 1.90 1.79 -0.50 0.23 116.57 119.99 2wdk h LYS 137 Ca 0.12 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2wdk h LYS 137 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2wdk h LYS 137 CO -0.30 0.01 -0.06 -0.22 -1.08 0.00 0.00 179.45 177.81 2wdk h LYS 138 N 0.00 -0.15 -0.94 3.15 3.64 -0.14 -3.03 116.57 119.10 2wdk h LYS 138 Ca -0.00 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2wdk h LYS 138 Cb 0.17 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2wdk h LYS 138 CO 0.00 -0.10 0.60 0.93 -2.27 0.00 0.00 179.45 178.61 2wdk h GLU 139 N -0.50 0.96 -0.52 1.90 5.08 -0.99 0.64 114.58 121.15 2wdk h GLU 139 Ca -0.02 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2wdk h GLU 139 Cb 0.12 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2wdk h GLU 139 CO 0.03 0.63 0.35 0.22 -1.00 0.00 0.00 179.01 179.24 2wdk h ASP 140 N 0.99 0.33 0.32 1.42 3.58 -0.67 -0.74 116.42 121.65 2wdk h ASP 140 Ca 0.43 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.55 2wdk h ASP 140 Cb 0.34 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 2wdk h ASP 140 CO -0.19 0.21 -1.66 0.58 -2.88 0.00 0.00 179.24 175.30 2wdk h VAL 141 N 0.37 1.02 0.00 2.25 2.07 -0.81 -3.23 116.25 117.92 2wdk h VAL 141 Ca 0.23 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2wdk h VAL 141 Cb 0.44 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2wdk h VAL 141 CO -0.06 0.83 -0.05 -0.33 0.02 0.00 0.00 177.57 177.98 2wdk h GLU 142 N 0.09 0.00 -0.11 1.57 5.08 -0.64 -1.93 114.58 118.64 2wdk h GLU 142 Ca -0.30 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.82 2wdk h GLU 142 Cb 2.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2wdk h GLU 142 CO 0.17 0.05 -0.86 0.00 -1.00 0.00 0.00 179.01 177.36 2wdk h ARG 143 N 0.00 0.77 -0.12 2.33 3.08 -1.20 -3.12 114.38 116.12 2wdk h ARG 143 Ca -0.00 -0.69 0.04 0.00 0.07 0.00 0.00 59.98 59.40 2wdk h ARG 143 Cb 0.26 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2wdk h ARG 143 CO 0.01 1.28 0.27 0.52 -1.07 0.00 0.00 179.97 180.98 2wdk h MET 144 N 0.50 0.00 -6.48 0.04 2.86 -1.36 -3.32 114.93 107.16 2wdk h MET 144 Ca -0.08 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.06 2wdk h MET 144 Cb 1.50 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.17 2wdk h MET 144 CO 0.18 0.00 -0.16 0.00 1.06 0.00 0.00 176.91 177.98 2wdk s ALA 145 N -4.34 4.62 0.00 6.32 0.00 -1.18 -3.73 121.76 123.46 2wdk s ALA 145 Ca -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2wdk s ALA 145 Cb 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2wdk s ALA 145 CO 0.41 -0.71 0.00 0.39 0.00 0.00 0.00 175.76 175.86 2wdk n GLU 146 N -2.09 0.00 0.10 0.00 -0.58 -1.26 -4.29 120.64 112.52 2wdk n GLU 146 Ca 0.11 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.63 2wdk n GLU 146 Cb 0.62 -0.96 -0.14 0.00 -0.57 0.00 0.00 31.44 30.38 2wdk n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdk h ALA 147 N 0.00 -0.06 -0.56 0.62 0.00 -1.74 -3.09 119.26 114.44 2wdk h ALA 147 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2wdk h ALA 147 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wdk h ALA 147 CO 0.00 0.66 0.00 0.09 0.00 0.00 0.00 179.25 180.00 2wdk n ASN 148 N -3.81 5.49 0.00 0.00 5.03 -1.24 -4.37 115.26 116.36 2wdk n ASN 148 Ca -0.15 -2.89 0.00 0.00 0.87 0.00 0.00 54.58 52.41 2wdk n ASN 148 Cb 1.00 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 2wdk n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wdk n ARG 149 N 0.57 0.00 0.04 3.52 0.63 -1.17 -0.75 116.66 119.50 2wdk n ARG 149 Ca 0.27 0.23 -0.13 0.00 -0.92 0.00 0.00 57.85 57.30 2wdk n ARG 149 Cb 1.14 -1.55 -0.09 0.00 0.45 0.00 0.00 32.46 32.42 2wdk n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdk h ALA 150 N 1.66 -0.11 -0.09 5.13 0.00 -1.84 -3.14 119.26 120.88 2wdk h ALA 150 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wdk h ALA 150 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wdk h ALA 150 CO 0.00 -0.39 0.00 0.66 0.00 0.00 0.00 179.25 179.52 2wdk n TYR 151 N -4.98 0.10 0.08 0.00 4.02 0.07 -4.25 117.16 112.19 2wdk n TYR 151 Ca -0.08 -0.05 0.04 0.00 -0.01 0.00 0.00 57.90 57.79 2wdk n TYR 151 Cb 0.20 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.71 2wdk n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdk n ALA 152 N 0.28 0.70 0.20 -0.72 0.00 -1.10 -1.75 120.51 118.13 2wdk n ALA 152 Ca 0.18 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 2wdk n ALA 152 Cb 0.35 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 19.05 2wdk n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wdk n HIS 153 N -1.69 0.70 -0.67 0.00 1.44 -1.26 -2.38 115.22 111.36 2wdk n HIS 153 Ca -0.00 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 54.74 2wdk n HIS 153 Cb 0.21 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 29.83 2wdk n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wdk n TYR 154 N 0.34 0.00 -0.09 -1.40 0.53 -0.71 -4.95 117.16 110.87 2wdk n TYR 154 Ca 0.14 -0.15 0.09 0.00 -1.02 0.00 0.00 57.90 56.95 2wdk n TYR 154 Cb 0.71 -0.02 0.13 0.00 -1.03 0.00 0.00 39.34 39.13 2wdk n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wdk n ARG 155 N -0.15 0.00 0.00 -0.72 1.74 -1.00 -5.05 116.66 111.48 2wdk n ARG 155 Ca 0.00 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2wdk n ARG 155 Cb 0.40 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 2wdk n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44