#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 h ARG 3 N 0.00 0.11 0.00 0.00 2.43 -2.06 -3.44 114.38 111.43 2wh1 h ARG 3 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2wh1 h ARG 3 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2wh1 h ARG 3 CO 0.00 0.96 0.00 0.54 -1.51 0.00 0.00 179.97 179.96 2wh1 n ARG 4 N -3.34 0.00 -2.83 0.20 1.74 -1.26 -4.98 116.66 106.19 2wh1 n ARG 4 Ca -0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.65 2wh1 n ARG 4 Cb 1.01 -0.05 -0.05 0.00 -1.02 0.00 0.00 32.46 32.34 2wh1 n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh1 s ARG 5 N 0.00 4.04 0.00 5.56 3.00 -1.26 -4.93 118.95 125.36 2wh1 s ARG 5 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 55.73 56.58 2wh1 s ARG 5 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 34.95 32.67 2wh1 s ARG 5 CO 0.00 -0.02 1.13 -2.13 0.00 0.00 0.00 175.30 174.27 2wh1 n ARG 6 N -0.85 0.68 -0.32 3.54 0.63 -1.26 -4.84 116.66 114.24 2wh1 n ARG 6 Ca 0.05 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.03 2wh1 n ARG 6 Cb 0.54 -1.16 -0.01 0.00 0.45 0.00 0.00 32.46 32.28 2wh1 n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh1 n ALA 7 N 1.32 -1.29 -3.28 5.13 0.00 -1.26 -4.85 120.51 116.28 2wh1 n ALA 7 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 2wh1 n ALA 7 Cb 0.34 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 2wh1 n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wh1 s GLU 8 N -0.72 0.42 0.00 0.00 2.02 -1.26 -5.13 118.70 114.04 2wh1 s GLU 8 Ca 0.00 0.54 -0.26 0.00 0.02 0.00 0.00 54.97 55.26 2wh1 s GLU 8 Cb 0.00 -0.17 -0.13 0.00 0.10 0.00 0.00 34.13 33.92 2wh1 s GLU 8 CO 0.00 -0.76 0.70 0.28 0.02 0.00 0.00 175.26 175.50 2wh1 n VAL 9 N 5.38 0.03 -2.78 2.63 0.31 -1.26 -4.87 118.33 117.77 2wh1 n VAL 9 Ca -0.01 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 2wh1 n VAL 9 Cb 0.50 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.40 2wh1 n VAL 9 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wh1 s ARG 10 N -0.02 4.57 -0.14 5.55 3.52 -1.26 -5.03 118.95 126.14 2wh1 s ARG 10 Ca 0.60 1.33 -0.15 0.00 -0.13 0.00 0.00 55.73 57.37 2wh1 s ARG 10 Cb -0.83 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 2wh1 s ARG 10 CO 0.38 0.06 0.35 -1.14 -0.81 0.00 0.00 175.30 174.14 2wh1 s GLN 11 N 0.65 4.28 0.82 5.12 2.00 -1.26 -5.09 119.66 126.18 2wh1 s GLN 11 Ca 0.48 0.21 -0.08 0.00 -2.00 0.00 0.00 55.36 53.96 2wh1 s GLN 11 Cb -0.21 -3.43 0.14 0.00 0.80 0.00 0.00 33.01 30.32 2wh1 s GLN 11 CO 0.27 0.22 1.14 -0.51 -0.50 0.00 0.00 175.29 175.91 2wh1 s LEU 12 N 0.49 2.83 -0.09 3.68 1.43 -1.26 -5.10 118.68 120.66 2wh1 s LEU 12 Ca 0.20 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2wh1 s LEU 12 Cb -0.14 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2wh1 s LEU 12 CO 0.06 -2.18 -0.08 -1.58 0.23 0.00 0.00 176.35 172.80 2wh1 s GLN 13 N -5.49 2.97 0.99 1.70 0.74 -1.26 -5.01 119.66 114.30 2wh1 s GLN 13 Ca 0.68 -0.58 -0.15 0.00 0.05 0.00 0.00 55.36 55.36 2wh1 s GLN 13 Cb -0.06 -2.63 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 2wh1 s GLN 13 CO 0.48 0.52 -0.04 -2.30 -0.55 0.00 0.00 175.29 173.40 2wh1 n PRO 14 N 2.64 -0.39 -2.95 1.67 -0.02 -1.26 -4.63 135.00 130.06 2wh1 n PRO 14 Ca -0.18 -0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 60.81 2wh1 n PRO 14 Cb 0.53 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 2wh1 n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wh1 s ASP 15 N -1.70 6.92 0.00 2.55 3.68 -1.19 -4.70 116.67 122.23 2wh1 s ASP 15 Ca 0.52 1.12 0.00 0.00 2.13 0.00 0.00 52.55 56.32 2wh1 s ASP 15 Cb -0.17 -2.43 0.00 0.00 -1.45 0.00 0.00 42.92 38.87 2wh1 s ASP 15 CO 0.71 -0.33 0.16 0.18 0.13 0.00 0.00 175.17 176.02 2wh1 n LEU 16 N 4.94 0.37 0.04 -1.34 4.77 -1.26 0.14 117.00 124.67 2wh1 n LEU 16 Ca 0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2wh1 n LEU 16 Cb 0.49 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2wh1 n LEU 16 CO 0.47 0.08 0.00 0.52 -1.33 0.00 0.00 177.39 177.13 2wh1 n VAL 17 N 0.45 0.00 0.60 4.08 0.31 -1.26 -4.90 118.33 117.61 2wh1 n VAL 17 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2wh1 n VAL 17 Cb 0.08 -0.30 -0.01 0.00 -0.91 0.00 0.00 33.84 32.70 2wh1 n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wh1 n TYR 18 N -2.73 0.00 -3.54 3.52 4.02 -1.20 -5.02 117.16 112.20 2wh1 n TYR 18 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2wh1 n TYR 18 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 2wh1 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh1 n GLY 19 N 1.06 -1.10 2.88 2.72 0.00 0.38 -4.82 105.19 106.31 2wh1 n GLY 19 Ca 0.05 0.49 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 2wh1 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh1 s ASP 20 N -3.30 0.63 0.25 1.61 -1.08 -1.26 -4.36 116.67 109.16 2wh1 s ASP 20 Ca 0.32 -0.08 -0.03 0.00 -0.52 0.00 0.00 52.55 52.24 2wh1 s ASP 20 Cb -0.11 -0.25 0.30 0.00 -1.46 0.00 0.00 42.92 41.41 2wh1 s ASP 20 CO 0.83 -0.04 1.76 -0.37 0.52 0.00 0.00 175.17 177.88 2wh1 h VAL 21 N 5.86 1.24 0.27 1.11 -1.51 -1.91 -2.81 116.25 118.49 2wh1 h VAL 21 Ca -0.37 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2wh1 h VAL 21 Cb 1.16 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2wh1 h VAL 21 CO 0.48 0.35 -0.13 0.25 -1.23 0.00 0.00 177.57 177.30 2wh1 h LEU 22 N 0.82 -0.30 -1.73 4.19 5.85 -1.96 -2.53 115.31 119.65 2wh1 h LEU 22 Ca 0.16 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.84 2wh1 h LEU 22 Cb 0.41 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2wh1 h LEU 22 CO 0.01 0.03 0.61 0.58 -0.34 0.00 0.00 178.44 179.33 2wh1 h VAL 23 N -0.66 0.23 0.00 1.05 2.07 -1.95 -1.34 116.25 115.65 2wh1 h VAL 23 Ca -0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 2wh1 h VAL 23 Cb 0.46 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2wh1 h VAL 23 CO 0.06 0.00 -0.76 0.71 0.02 0.00 0.00 177.57 177.60 2wh1 h THR 24 N 0.00 1.18 -0.91 2.57 1.35 -1.35 -3.29 112.91 112.45 2wh1 h THR 24 Ca 0.22 -2.17 0.26 0.00 -0.55 0.00 0.00 66.41 64.17 2wh1 h THR 24 Cb 1.43 2.51 -0.15 0.00 -1.73 0.00 0.00 68.15 70.22 2wh1 h THR 24 CO -0.00 0.40 0.30 0.00 -0.25 0.00 0.00 175.52 175.96 2wh1 h ALA 25 N -0.35 1.43 -0.88 6.62 0.00 -0.83 0.53 119.26 125.78 2wh1 h ALA 25 Ca -0.21 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wh1 h ALA 25 Cb 1.14 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2wh1 h ALA 25 CO -0.12 -0.51 0.50 0.35 0.00 0.00 0.00 179.25 179.47 2wh1 h PHE 26 N 0.21 1.19 -0.85 0.00 3.57 -1.57 -2.79 116.94 116.71 2wh1 h PHE 26 Ca 0.60 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.05 2wh1 h PHE 26 Cb 1.26 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 2wh1 h PHE 26 CO -0.22 0.81 0.41 0.82 -2.23 0.00 0.00 178.31 177.90 2wh1 h ILE 27 N 1.22 1.26 -0.95 1.41 2.04 -0.03 -2.58 117.51 119.88 2wh1 h ILE 27 Ca 0.31 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.57 2wh1 h ILE 27 Cb 0.00 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 36.17 2wh1 h ILE 27 CO -0.05 0.31 0.58 0.78 0.00 0.00 0.00 178.15 179.77 2wh1 h ASN 28 N 1.20 0.85 -0.57 1.72 2.35 -1.15 0.09 115.58 120.07 2wh1 h ASN 28 Ca 0.29 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2wh1 h ASN 28 Cb 0.11 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2wh1 h ASN 28 CO -0.04 0.46 0.37 0.11 -1.65 0.00 0.00 177.43 176.68 2wh1 h LYS 29 N 0.93 0.74 0.00 0.81 1.79 -1.45 0.47 116.57 119.87 2wh1 h LYS 29 Ca 0.47 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2wh1 h LYS 29 Cb 0.45 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2wh1 h LYS 29 CO -0.26 0.49 0.00 0.82 -1.08 0.00 0.00 179.45 179.42 2wh1 h ILE 30 N 0.76 0.00 -3.72 1.86 1.08 -0.87 -3.44 117.51 113.19 2wh1 h ILE 30 Ca 0.21 -0.13 -0.51 0.00 -0.39 0.00 0.00 64.86 64.04 2wh1 h ILE 30 Cb -0.09 0.85 0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2wh1 h ILE 30 CO -0.05 0.00 0.50 -0.32 -0.69 0.00 0.00 178.15 177.59 2wh1 s MET 31 N -3.63 4.60 -0.11 2.37 1.75 0.16 -4.74 119.30 119.69 2wh1 s MET 31 Ca -0.01 1.82 -0.01 0.00 -1.25 0.00 0.00 55.69 56.25 2wh1 s MET 31 Cb 0.09 -3.21 0.03 0.00 2.84 0.00 0.00 34.83 34.58 2wh1 s MET 31 CO 0.34 0.12 -0.06 1.03 -0.65 0.00 0.00 175.02 175.80 2wh1 s ARG 32 N -1.09 1.34 -1.27 4.11 0.52 -1.26 -4.77 118.95 116.52 2wh1 s ARG 32 Ca 0.47 -0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.48 2wh1 s ARG 32 Cb -0.32 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 33.65 2wh1 s ARG 32 CO 0.40 -0.29 0.01 -0.25 0.02 0.00 0.00 175.30 175.19 2wh1 n ASP 33 N 4.98 -4.52 0.00 0.23 8.00 -1.26 -2.16 116.55 121.82 2wh1 n ASP 33 Ca -0.11 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2wh1 n ASP 33 Cb 0.50 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 2wh1 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wh1 n GLY 34 N -1.02 0.63 2.85 0.44 0.00 -1.26 -4.89 105.19 101.95 2wh1 n GLY 34 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2wh1 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh1 n LYS 35 N -1.98 1.98 0.02 1.61 5.02 -0.92 -4.56 118.16 119.33 2wh1 n LYS 35 Ca 0.00 -1.84 -0.01 0.00 -2.02 0.00 0.00 58.31 54.44 2wh1 n LYS 35 Cb 0.04 -2.81 0.28 0.00 -0.02 0.00 0.00 35.03 32.51 2wh1 n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wh1 h LYS 36 N 7.00 0.47 -0.92 1.97 3.64 -1.90 -1.35 116.57 125.48 2wh1 h LYS 36 Ca 0.49 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 2wh1 h LYS 36 Cb 0.48 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 2wh1 h LYS 36 CO 1.78 0.57 0.60 -0.97 -2.27 0.00 0.00 179.45 179.17 2wh1 h ASN 37 N 0.44 1.02 0.10 4.20 -1.24 -2.00 0.28 115.58 118.37 2wh1 h ASN 37 Ca 0.08 -0.02 -0.24 0.00 0.71 0.00 0.00 56.30 56.84 2wh1 h ASN 37 Cb 0.45 -0.24 0.02 0.00 0.73 0.00 0.00 38.32 39.28 2wh1 h ASN 37 CO 0.02 0.72 -1.00 0.25 -1.29 0.00 0.00 177.43 176.13 2wh1 h LEU 38 N 1.19 0.71 -0.12 0.34 5.85 -1.83 -2.91 115.31 118.54 2wh1 h LEU 38 Ca 0.35 -0.84 0.03 0.00 0.84 0.00 0.00 57.88 58.27 2wh1 h LEU 38 Cb -0.05 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2wh1 h LEU 38 CO -0.09 1.48 -0.10 0.00 -0.34 0.00 0.00 178.44 179.38 2wh1 h ALA 39 N 0.24 -0.01 0.02 1.25 0.00 -0.76 -2.50 119.26 117.50 2wh1 h ALA 39 Ca -0.15 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2wh1 h ALA 39 Cb 1.72 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 2wh1 h ALA 39 CO 0.19 -0.56 -0.31 0.00 0.00 0.00 0.00 179.25 178.57 2wh1 h ALA 40 N 0.97 -0.47 -0.32 0.00 0.00 -0.55 -2.93 119.26 115.95 2wh1 h ALA 40 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wh1 h ALA 40 Cb 0.23 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2wh1 h ALA 40 CO -0.19 -0.83 0.00 0.54 0.00 0.00 0.00 179.25 178.77 2wh1 n ARG 41 N -5.41 0.00 -0.28 0.00 1.74 -1.02 -2.07 116.66 109.62 2wh1 n ARG 41 Ca -0.05 0.90 -0.01 0.00 -0.77 0.00 0.00 57.85 57.92 2wh1 n ARG 41 Cb 0.32 -1.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.34 2wh1 n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wh1 n ILE 42 N -2.70 -0.38 -0.05 0.55 5.41 -0.97 -0.05 119.36 121.17 2wh1 n ILE 42 Ca 0.00 1.69 -0.11 0.00 1.00 0.00 0.00 62.75 65.32 2wh1 n ILE 42 Cb 0.00 -2.22 -0.08 0.00 -0.71 0.00 0.00 39.64 36.63 2wh1 n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wh1 h PHE 43 N 0.00 -1.29 -0.53 1.39 3.57 -1.24 0.33 116.94 119.17 2wh1 h PHE 43 Ca 0.24 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2wh1 h PHE 43 Cb 0.42 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2wh1 h PHE 43 CO -0.64 -0.41 0.29 1.88 -2.23 0.00 0.00 178.31 177.20 2wh1 h TYR 44 N -0.40 0.74 -1.02 0.41 0.99 -1.11 0.41 116.97 116.99 2wh1 h TYR 44 Ca 0.04 -0.02 0.30 0.00 2.00 0.00 0.00 58.73 61.04 2wh1 h TYR 44 Cb 0.50 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 37.96 2wh1 h TYR 44 CO -0.61 0.55 0.77 -0.44 -0.00 0.00 0.00 178.16 178.43 2wh1 h ASP 45 N 0.71 0.00 0.04 3.88 3.45 0.54 0.50 116.42 125.54 2wh1 h ASP 45 Ca 0.19 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.42 2wh1 h ASP 45 Cb 0.06 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 2wh1 h ASP 45 CO -0.03 0.00 -1.20 0.00 -1.57 0.00 0.00 179.24 176.44 2wh1 h ALA 46 N 1.41 0.23 -0.52 3.45 0.00 0.17 -3.31 119.26 120.69 2wh1 h ALA 46 Ca 0.48 -1.11 0.15 0.00 0.00 0.00 0.00 54.91 54.43 2wh1 h ALA 46 Cb 2.03 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 20.38 2wh1 h ALA 46 CO -0.01 0.70 0.66 0.00 0.00 0.00 0.00 179.25 180.60 2wh1 h LYS 48 N 0.00 0.31 -0.87 0.00 3.64 -1.27 -3.10 116.57 115.29 2wh1 h LYS 48 Ca 0.25 -0.24 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2wh1 h LYS 48 Cb 1.56 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.36 2wh1 h LYS 48 CO -0.00 0.88 0.56 0.82 -2.27 0.00 0.00 179.45 179.44 2wh1 h ILE 49 N -0.19 0.81 0.36 2.00 1.08 0.21 0.24 117.51 122.03 2wh1 h ILE 49 Ca -0.02 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2wh1 h ILE 49 Cb 0.93 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 2wh1 h ILE 49 CO 0.06 0.11 -0.45 0.40 -0.69 0.00 0.00 178.15 177.58 2wh1 h ILE 50 N 0.61 0.11 -0.13 -0.67 1.08 -1.27 0.54 117.51 117.79 2wh1 h ILE 50 Ca 0.44 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.95 2wh1 h ILE 50 Cb 0.79 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 2wh1 h ILE 50 CO -0.19 0.00 -0.32 1.56 -0.69 0.00 0.00 178.15 178.51 2wh1 h GLN 51 N -0.85 -0.39 -0.12 2.37 1.08 -1.01 0.78 115.11 116.97 2wh1 h GLN 51 Ca -0.03 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2wh1 h GLN 51 Cb 0.77 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 2wh1 h GLN 51 CO -0.11 -0.26 -0.07 0.93 -0.95 0.00 0.00 178.83 178.37 2wh1 h GLU 52 N -0.40 -0.00 0.00 1.46 4.39 0.02 -2.76 114.58 117.28 2wh1 h GLU 52 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2wh1 h GLU 52 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2wh1 h GLU 52 CO -0.35 -0.00 -0.05 0.87 -1.16 0.00 0.00 179.01 178.31 2wh1 h LYS 53 N -0.00 0.00 -3.70 2.33 1.57 -0.78 -3.47 116.57 112.51 2wh1 h LYS 53 Ca 0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2wh1 h LYS 53 Cb 0.05 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.14 2wh1 h LYS 53 CO -0.11 0.00 -0.60 -0.08 -0.57 0.00 0.00 179.45 178.09 2wh1 s THR 54 N -3.19 0.08 -0.70 -0.16 -1.32 0.27 -5.00 115.64 105.62 2wh1 s THR 54 Ca 0.08 -0.65 0.19 0.00 -1.21 0.00 0.00 61.69 60.10 2wh1 s THR 54 Cb 0.07 -0.30 0.18 0.00 -1.51 0.00 0.00 72.50 70.94 2wh1 s THR 54 CO 0.66 -0.35 1.57 0.61 -2.21 0.00 0.00 174.62 174.90 2wh1 n GLY 55 N 1.82 -1.11 3.32 6.08 0.00 -1.26 -3.73 105.19 110.31 2wh1 n GLY 55 Ca -0.21 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2wh1 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh1 n GLN 56 N -1.90 -1.03 -3.90 1.61 1.13 -1.26 -4.97 117.38 107.05 2wh1 n GLN 56 Ca 0.02 -0.28 -0.34 0.00 -1.94 0.00 0.00 57.00 54.46 2wh1 n GLN 56 Cb 0.18 -1.73 -0.13 0.00 0.11 0.00 0.00 30.24 28.68 2wh1 n GLN 56 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2wh1 s GLU 57 N -3.45 2.15 0.00 -1.09 1.03 -1.26 -4.50 118.70 111.59 2wh1 s GLU 57 Ca 0.55 -1.52 0.00 0.00 0.03 0.00 0.00 54.97 54.04 2wh1 s GLU 57 Cb -0.15 -3.27 0.00 0.00 -0.80 0.00 0.00 34.13 29.91 2wh1 s GLU 57 CO 0.67 -0.79 0.05 -2.30 -1.33 0.00 0.00 175.26 171.56 2wh1 n PRO 58 N 4.54 0.00 -0.35 -4.83 -0.02 -1.26 0.11 135.00 133.19 2wh1 n PRO 58 Ca -0.08 0.05 0.33 0.00 -2.02 0.00 0.00 63.50 61.78 2wh1 n PRO 58 Cb 0.42 -0.08 0.68 0.00 -0.02 0.00 0.00 33.50 34.51 2wh1 n PRO 58 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wh1 h LEU 59 N 0.00 0.14 0.00 2.45 5.85 -1.96 0.38 115.31 122.17 2wh1 h LEU 59 Ca 0.00 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 2wh1 h LEU 59 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2wh1 h LEU 59 CO 0.00 0.01 -1.09 0.50 -0.34 0.00 0.00 178.44 177.52 2wh1 h LYS 60 N 0.11 0.00 0.06 1.25 1.63 -0.77 -3.13 116.57 115.73 2wh1 h LYS 60 Ca 0.61 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.41 2wh1 h LYS 60 Cb 2.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.78 2wh1 h LYS 60 CO -0.12 0.40 -0.03 0.28 -3.45 0.00 0.00 179.45 176.53 2wh1 h VAL 61 N 0.00 1.26 0.00 2.00 2.07 0.20 -2.63 116.25 119.15 2wh1 h VAL 61 Ca -0.10 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2wh1 h VAL 61 Cb 1.53 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2wh1 h VAL 61 CO 0.06 0.32 0.12 0.15 0.02 0.00 0.00 177.57 178.23 2wh1 h PHE 62 N -0.69 0.00 0.14 1.57 3.57 -0.81 -1.27 116.94 119.45 2wh1 h PHE 62 Ca -0.01 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.14 2wh1 h PHE 62 Cb 0.58 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2wh1 h PHE 62 CO 0.12 0.00 -1.85 -0.22 -2.23 0.00 0.00 178.31 174.13 2wh1 h LYS 63 N 0.00 0.29 -0.14 1.11 1.63 -1.45 -3.27 116.57 114.74 2wh1 h LYS 63 Ca 0.00 -0.49 -0.22 0.00 -0.85 0.00 0.00 60.65 59.08 2wh1 h LYS 63 Cb 0.23 0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2wh1 h LYS 63 CO 0.00 1.24 -0.79 0.37 -3.45 0.00 0.00 179.45 176.81 2wh1 h GLN 64 N -0.00 0.76 0.21 1.90 4.15 -0.91 -3.08 115.11 118.14 2wh1 h GLN 64 Ca -0.39 -0.63 -0.01 0.00 0.77 0.00 0.00 58.65 58.39 2wh1 h GLN 64 Cb 2.00 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.81 2wh1 h GLN 64 CO 0.10 1.24 -0.19 0.00 -1.93 0.00 0.00 178.83 178.04 2wh1 h ALA 65 N 0.58 -0.92 -0.99 3.38 0.00 -1.48 -2.00 119.26 117.82 2wh1 h ALA 65 Ca -0.06 -0.08 0.42 0.00 0.00 0.00 0.00 54.91 55.20 2wh1 h ALA 65 Cb 1.42 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 19.45 2wh1 h ALA 65 CO 0.16 -0.93 0.54 0.28 0.00 0.00 0.00 179.25 179.30 2wh1 n VAL 66 N -3.49 -0.42 -0.08 0.00 0.31 -1.23 0.66 118.33 114.09 2wh1 n VAL 66 Ca -0.05 2.02 -0.06 0.00 -0.01 0.00 0.00 64.34 66.24 2wh1 n VAL 66 Cb 0.18 -3.28 0.13 0.00 -0.91 0.00 0.00 33.84 29.96 2wh1 n VAL 66 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wh1 h GLU 67 N 0.00 0.73 -0.92 5.55 4.57 -1.31 -2.92 114.58 120.28 2wh1 h GLU 67 Ca 0.84 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.69 2wh1 h GLU 67 Cb 2.24 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 30.73 2wh1 h GLU 67 CO -0.76 0.85 0.09 0.09 -1.18 0.00 0.00 179.01 178.10 2wh1 n ASN 68 N -4.15 2.88 0.00 1.04 3.02 0.21 -3.39 115.26 114.88 2wh1 n ASN 68 Ca 0.01 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 2wh1 n ASN 68 Cb 0.39 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2wh1 n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wh1 n VAL 69 N 0.10 0.00 -1.78 2.41 0.31 -1.12 -4.67 118.33 113.58 2wh1 n VAL 69 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 2wh1 n VAL 69 Cb 0.71 0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.64 2wh1 n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wh1 s LYS 70 N -1.04 4.16 -0.23 5.55 1.02 -1.13 -4.65 119.74 123.42 2wh1 s LYS 70 Ca 0.00 2.48 -0.29 0.00 0.02 0.00 0.00 55.97 58.18 2wh1 s LYS 70 Cb 0.00 -4.05 0.01 0.00 -0.52 0.00 0.00 37.83 33.27 2wh1 s LYS 70 CO 0.00 -0.91 1.02 -1.25 -0.92 0.00 0.00 175.35 173.30 2wh1 s PRO 71 N 4.14 4.26 0.18 -1.68 0.04 -1.26 -4.95 135.00 135.72 2wh1 s PRO 71 Ca 0.83 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 2wh1 s PRO 71 Cb -0.40 -3.64 0.11 0.00 0.04 0.00 0.00 34.50 30.62 2wh1 s PRO 71 CO 0.37 -0.61 1.62 -0.09 0.04 0.00 0.00 177.00 178.33 2wh1 h ARG 72 N 7.46 -0.13 -4.54 4.56 9.65 -1.95 -3.41 114.38 126.02 2wh1 h ARG 72 Ca -0.20 0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.46 2wh1 h ARG 72 Cb 1.06 0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.53 2wh1 h ARG 72 CO 0.97 -0.09 -0.61 -1.64 2.80 0.00 0.00 179.97 181.41 2wh1 s MET 73 N -6.12 1.19 0.18 0.20 -1.94 -1.26 -2.52 119.30 109.03 2wh1 s MET 73 Ca -0.14 -1.60 -0.14 0.00 -1.71 0.00 0.00 55.69 52.10 2wh1 s MET 73 Cb 0.15 0.27 0.01 0.00 2.01 0.00 0.00 34.83 37.28 2wh1 s MET 73 CO 0.70 -0.39 0.42 -1.83 -0.01 0.00 0.00 175.02 173.91 2wh1 s GLU 74 N -4.15 1.29 -0.32 2.03 -1.05 0.52 -4.46 118.70 112.57 2wh1 s GLU 74 Ca 0.37 -1.02 -0.06 0.00 -0.15 0.00 0.00 54.97 54.11 2wh1 s GLU 74 Cb 0.07 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2wh1 s GLU 74 CO 0.11 -0.52 0.09 0.14 0.95 0.00 0.00 175.26 176.03 2wh1 s VAL 75 N -3.92 3.80 0.13 1.83 -7.23 -1.26 -0.42 120.40 113.33 2wh1 s VAL 75 Ca 0.13 -1.01 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2wh1 s VAL 75 Cb 0.01 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 2wh1 s VAL 75 CO -0.01 -0.10 0.37 -0.13 -0.31 0.00 0.00 175.10 174.92 2wh1 s ARG 76 N 1.43 3.62 0.00 4.82 0.52 -0.50 -4.86 118.95 123.98 2wh1 s ARG 76 Ca -0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2wh1 s ARG 76 Cb -0.19 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.40 2wh1 s ARG 76 CO 0.02 0.49 0.00 0.45 0.02 0.00 0.00 175.30 176.28 2wh1 n SER 77 N 0.21 -0.96 0.00 0.23 2.88 -1.26 -2.22 113.62 112.50 2wh1 n SER 77 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2wh1 n SER 77 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2wh1 n SER 77 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2wh1 n ARG 78 N -0.96 0.00 -4.03 -1.46 3.00 -1.25 -4.36 116.66 107.60 2wh1 n ARG 78 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2wh1 n ARG 78 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.31 2wh1 n ARG 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2wh1 s ARG 79 N -2.00 2.11 0.07 -0.14 1.81 -1.25 -3.50 118.95 116.04 2wh1 s ARG 79 Ca 0.00 -1.10 0.23 0.00 -1.72 0.00 0.00 55.73 53.14 2wh1 s ARG 79 Cb 0.00 -2.68 0.04 0.00 -0.45 0.00 0.00 34.95 31.86 2wh1 s ARG 79 CO 0.00 -0.51 1.02 0.28 -0.68 0.00 0.00 175.30 175.40 2wh1 n VAL 80 N 4.56 0.22 0.00 3.52 0.31 0.11 -4.94 118.33 122.11 2wh1 n VAL 80 Ca -0.14 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2wh1 n VAL 80 Cb 0.44 0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2wh1 n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wh1 n GLY 81 N 1.34 1.46 3.35 2.92 0.00 -1.26 -4.76 105.19 108.23 2wh1 n GLY 81 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2wh1 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh1 n GLY 82 N 0.00 0.53 3.25 -0.02 0.00 -1.26 -4.94 105.19 102.75 2wh1 n GLY 82 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wh1 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 s ALA 83 N -2.57 2.21 -0.66 4.61 0.00 -1.26 -5.05 121.76 119.03 2wh1 s ALA 83 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2wh1 s ALA 83 Cb 0.00 -0.80 0.35 0.00 0.00 0.00 0.00 23.12 22.67 2wh1 s ALA 83 CO 0.00 0.33 1.22 0.09 0.00 0.00 0.00 175.76 177.40 2wh1 n ASN 84 N 3.33 5.30 -4.65 0.00 3.02 -1.24 0.08 115.26 121.10 2wh1 n ASN 84 Ca -0.18 -3.70 -0.42 0.00 -0.03 0.00 0.00 54.58 50.24 2wh1 n ASN 84 Cb 0.53 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2wh1 n ASN 84 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wh1 s TYR 85 N -3.70 1.75 -0.55 3.10 4.12 -1.23 -4.58 117.35 116.27 2wh1 s TYR 85 Ca 0.47 0.12 -0.27 0.00 0.02 0.00 0.00 57.07 57.41 2wh1 s TYR 85 Cb 0.29 -4.01 -0.01 0.00 -1.52 0.00 0.00 41.96 36.71 2wh1 s TYR 85 CO -0.16 -4.15 1.76 -0.65 0.02 0.00 0.00 175.55 172.37 2wh1 s GLN 86 N 4.46 2.89 0.22 -0.62 -0.21 -1.26 -3.87 119.66 121.28 2wh1 s GLN 86 Ca 0.79 0.72 -0.13 0.00 0.02 0.00 0.00 55.36 56.76 2wh1 s GLN 86 Cb -0.34 -4.30 -0.08 0.00 1.00 0.00 0.00 33.01 29.29 2wh1 s GLN 86 CO 0.33 -2.41 0.60 0.08 -2.12 0.00 0.00 175.29 171.77 2wh1 s VAL 87 N 8.04 4.83 0.49 1.09 1.01 -0.94 -4.88 120.40 130.04 2wh1 s VAL 87 Ca 0.66 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.32 2wh1 s VAL 87 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wh1 s VAL 87 CO 0.24 0.02 0.80 -2.84 0.00 0.00 0.00 175.10 173.32 2wh1 s PRO 88 N -2.54 3.56 -0.23 2.72 0.02 -1.26 -1.41 135.00 135.86 2wh1 s PRO 88 Ca 0.46 0.25 -0.30 0.00 0.02 0.00 0.00 61.00 61.43 2wh1 s PRO 88 Cb -0.12 -2.36 0.17 0.00 0.02 0.00 0.00 34.50 32.20 2wh1 s PRO 88 CO 0.20 -0.22 1.22 0.00 -0.33 0.00 0.00 177.00 177.87 2wh1 s MET 89 N -4.72 0.26 0.76 5.54 0.23 0.44 -4.79 119.30 117.02 2wh1 s MET 89 Ca 0.48 0.04 -0.13 0.00 -1.03 0.00 0.00 55.69 55.05 2wh1 s MET 89 Cb -0.10 0.12 0.06 0.00 -1.53 0.00 0.00 34.83 33.38 2wh1 s MET 89 CO 0.45 -0.09 1.16 -1.21 -2.03 0.00 0.00 175.02 173.30 2wh1 s GLU 90 N -1.21 2.06 -0.40 3.16 2.02 -1.26 -0.35 118.70 122.72 2wh1 s GLU 90 Ca 0.05 1.56 -0.10 0.00 0.02 0.00 0.00 54.97 56.50 2wh1 s GLU 90 Cb -0.01 -1.84 0.05 0.00 0.10 0.00 0.00 34.13 32.43 2wh1 s GLU 90 CO -0.04 -1.85 0.24 0.08 0.02 0.00 0.00 175.26 173.70 2wh1 s VAL 91 N -2.32 4.41 -0.05 2.63 1.01 -1.05 -4.70 120.40 120.34 2wh1 s VAL 91 Ca 0.69 -1.13 -0.40 0.00 0.00 0.00 0.00 61.98 61.14 2wh1 s VAL 91 Cb -0.24 -3.58 -0.20 0.00 0.00 0.00 0.00 36.38 32.36 2wh1 s VAL 91 CO 0.49 -0.38 1.10 -0.24 0.00 0.00 0.00 175.10 176.07 2wh1 n SER 92 N 4.96 0.10 -0.32 3.32 2.88 -1.26 -4.30 113.62 119.00 2wh1 n SER 92 Ca -0.11 1.14 0.19 0.00 -1.33 0.00 0.00 58.87 58.76 2wh1 n SER 92 Cb 0.44 -0.90 0.39 0.00 -0.75 0.00 0.00 64.21 63.40 2wh1 n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wh1 h PRO 93 N 3.12 0.25 -0.92 -1.46 0.13 -1.98 0.83 132.00 131.97 2wh1 h PRO 93 Ca -0.49 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2wh1 h PRO 93 Cb 1.39 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2wh1 h PRO 93 CO 0.67 0.16 0.53 0.00 -0.23 0.00 0.00 178.00 179.13 2wh1 h ARG 94 N 0.25 1.26 0.06 0.86 3.08 -2.01 -2.35 114.38 115.53 2wh1 h ARG 94 Ca 0.66 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 60.47 2wh1 h ARG 94 Cb 1.44 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 31.24 2wh1 h ARG 94 CO -0.65 0.90 -0.46 -0.09 -1.07 0.00 0.00 179.97 178.60 2wh1 h ARG 95 N 1.27 0.21 -0.97 0.04 2.43 -0.52 -3.25 114.38 113.59 2wh1 h ARG 95 Ca 0.33 -0.30 0.17 0.00 -0.81 0.00 0.00 59.98 59.36 2wh1 h ARG 95 Cb -0.02 0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 29.47 2wh1 h ARG 95 CO -0.06 1.10 -0.33 0.94 -1.51 0.00 0.00 179.97 180.11 2wh1 n GLN 96 N -4.34 -0.18 -0.13 0.20 7.27 0.24 0.13 117.38 120.57 2wh1 n GLN 96 Ca -0.12 1.50 -0.06 0.00 0.07 0.00 0.00 57.00 58.39 2wh1 n GLN 96 Cb 0.65 -2.23 0.12 0.00 2.41 0.00 0.00 30.24 31.20 2wh1 n GLN 96 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2wh1 h GLN 97 N 0.00 0.85 0.62 3.69 4.15 -1.54 -1.85 115.11 121.03 2wh1 h GLN 97 Ca 0.38 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2wh1 h GLN 97 Cb 0.62 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2wh1 h GLN 97 CO -0.97 0.87 -0.49 0.77 -1.93 0.00 0.00 178.83 177.08 2wh1 h SER 98 N 0.78 -1.30 -0.05 -0.69 0.02 -0.34 -0.52 113.55 111.45 2wh1 h SER 98 Ca 0.14 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2wh1 h SER 98 Cb 0.52 0.41 -0.05 0.00 0.14 0.00 0.00 62.40 63.41 2wh1 h SER 98 CO 0.03 -0.69 -0.47 -0.07 -1.14 0.00 0.00 176.83 174.48 2wh1 h LEU 99 N -1.08 -1.47 -0.37 5.07 3.38 -1.27 -1.00 115.31 118.57 2wh1 h LEU 99 Ca -0.08 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2wh1 h LEU 99 Cb 0.90 0.56 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 2wh1 h LEU 99 CO 0.01 -0.44 -0.22 0.00 0.09 0.00 0.00 178.44 177.88 2wh1 n ALA 100 N -2.92 -0.24 -0.06 1.53 0.00 -0.70 -0.67 120.51 117.45 2wh1 n ALA 100 Ca -0.06 0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 2wh1 n ALA 100 Cb 0.34 0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2wh1 n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh1 h LEU 101 N 0.00 -0.62 0.05 0.00 3.38 -0.87 -2.52 115.31 114.72 2wh1 h LEU 101 Ca 0.06 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2wh1 h LEU 101 Cb 0.15 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2wh1 h LEU 101 CO -0.35 -0.23 -0.23 -0.09 0.09 0.00 0.00 178.44 177.62 2wh1 h ARG 102 N -0.18 -0.32 -0.98 1.13 2.43 0.28 -2.25 114.38 114.50 2wh1 h ARG 102 Ca 0.15 0.02 0.31 0.00 -0.81 0.00 0.00 59.98 59.64 2wh1 h ARG 102 Cb 0.40 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.87 2wh1 h ARG 102 CO -0.37 -0.21 0.49 -1.49 -1.51 0.00 0.00 179.97 176.88 2wh1 h TRP 103 N -0.33 0.79 0.17 2.20 6.55 -0.80 -0.31 115.95 124.23 2wh1 h TRP 103 Ca -0.00 0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.89 2wh1 h TRP 103 Cb 0.33 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 28.40 2wh1 h TRP 103 CO -0.37 -0.19 -0.49 -0.07 -1.05 0.00 0.00 178.44 176.27 2wh1 h LEU 104 N 0.29 -1.44 0.38 -4.49 -0.00 -0.96 0.40 115.31 109.49 2wh1 h LEU 104 Ca 0.70 0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 58.72 2wh1 h LEU 104 Cb 1.57 0.52 -0.02 0.00 -0.00 0.00 0.00 40.66 42.73 2wh1 h LEU 104 CO -0.63 -0.53 -0.35 0.58 -0.00 0.00 0.00 178.44 177.52 2wh1 h VAL 105 N -0.73 0.29 -0.41 1.22 2.07 -0.86 1.05 116.25 118.88 2wh1 h VAL 105 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2wh1 h VAL 105 Cb 0.72 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 2wh1 h VAL 105 CO -0.23 0.00 -0.53 1.56 0.02 0.00 0.00 177.57 178.39 2wh1 h GLN 106 N -0.74 -0.37 -0.48 1.57 4.20 -1.11 0.50 115.11 118.68 2wh1 h GLN 106 Ca -0.03 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2wh1 h GLN 106 Cb 0.66 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 2wh1 h GLN 106 CO -0.04 -0.24 0.24 0.00 -0.67 0.00 0.00 178.83 178.12 2wh1 h ALA 107 N 0.08 0.61 -1.24 3.87 0.00 0.01 -1.35 119.26 121.24 2wh1 h ALA 107 Ca 0.09 0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.38 2wh1 h ALA 107 Cb 0.60 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2wh1 h ALA 107 CO -0.60 -0.11 0.85 0.00 0.00 0.00 0.00 179.25 179.40 2wh1 h ALA 108 N 1.26 2.86 0.00 0.00 0.00 0.33 1.16 119.26 124.86 2wh1 h ALA 108 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wh1 h ALA 108 Cb 0.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wh1 h ALA 108 CO -0.15 -1.29 -0.79 -0.91 0.00 0.00 0.00 179.25 176.11 2wh1 h ASN 109 N 0.14 0.00 0.00 0.00 2.35 -0.05 -3.28 115.58 114.73 2wh1 h ASN 109 Ca 0.66 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2wh1 h ASN 109 Cb 2.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.61 2wh1 h ASN 109 CO -0.17 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.69 2wh1 n GLN 110 N -2.30 0.92 -3.91 0.81 6.02 0.40 -4.77 117.38 114.55 2wh1 n GLN 110 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.72 2wh1 n GLN 110 Cb 0.48 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 2wh1 n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wh1 s ARG 111 N -1.28 3.45 -0.01 -1.09 0.52 -1.20 -5.02 118.95 114.32 2wh1 s ARG 111 Ca 0.00 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 2wh1 s ARG 111 Cb 0.00 -2.99 0.20 0.00 0.52 0.00 0.00 34.95 32.68 2wh1 s ARG 111 CO 0.00 0.56 1.13 -0.35 0.02 0.00 0.00 175.30 176.66 2wh1 n PRO 112 N -0.12 1.59 -2.46 3.54 -0.04 -1.26 -4.95 135.00 131.30 2wh1 n PRO 112 Ca -0.06 -0.82 -0.35 0.00 -0.04 0.00 0.00 63.50 62.23 2wh1 n PRO 112 Cb 0.52 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 2wh1 n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wh1 s GLU 113 N -1.68 3.85 0.00 0.54 0.41 -1.26 -5.02 118.70 115.54 2wh1 s GLU 113 Ca 0.15 1.51 0.00 0.00 -0.41 0.00 0.00 54.97 56.22 2wh1 s GLU 113 Cb 0.08 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2wh1 s GLU 113 CO 0.10 -0.41 0.45 0.54 -0.49 0.00 0.00 175.26 175.44 2wh1 n ARG 114 N -0.65 0.00 -0.37 1.61 5.12 -1.26 -4.86 116.66 116.25 2wh1 n ARG 114 Ca 0.08 0.25 -0.25 0.00 -1.93 0.00 0.00 57.85 56.00 2wh1 n ARG 114 Cb 0.51 -1.05 0.23 0.00 -1.16 0.00 0.00 32.46 30.99 2wh1 n ARG 114 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wh1 n ARG 115 N -1.25 -3.63 -0.10 5.56 1.74 -1.26 -5.00 116.66 112.72 2wh1 n ARG 115 Ca 0.00 -1.07 -0.18 0.00 -0.77 0.00 0.00 57.85 55.83 2wh1 n ARG 115 Cb 0.00 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 2wh1 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh1 n ALA 116 N -5.18 1.30 -0.32 7.54 0.00 -1.26 -4.30 120.51 118.28 2wh1 n ALA 116 Ca 0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.67 2wh1 n ALA 116 Cb 0.49 0.13 0.03 0.00 0.00 0.00 0.00 19.45 20.10 2wh1 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 n ALA 117 N -4.20 -0.10 -0.17 0.00 0.00 -1.26 0.13 120.51 114.90 2wh1 n ALA 117 Ca -0.32 0.84 -0.05 0.00 0.00 0.00 0.00 53.44 53.92 2wh1 n ALA 117 Cb 0.67 -0.38 0.02 0.00 0.00 0.00 0.00 19.45 19.76 2wh1 n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wh1 h VAL 118 N 0.00 0.27 0.13 0.00 -1.51 -1.91 0.65 116.25 113.88 2wh1 h VAL 118 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 2wh1 h VAL 118 Cb 0.50 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 2wh1 h VAL 118 CO -0.84 0.00 -0.25 0.03 -1.23 0.00 0.00 177.57 175.29 2wh1 h ARG 119 N -0.14 -0.39 -0.96 5.19 3.08 0.84 0.65 114.38 122.66 2wh1 h ARG 119 Ca 0.23 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.58 2wh1 h ARG 119 Cb 0.51 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.51 2wh1 h ARG 119 CO -0.61 -0.26 0.47 0.82 -1.07 0.00 0.00 179.97 179.32 2wh1 h ILE 120 N -0.40 0.37 0.00 2.04 1.08 -0.66 0.36 117.51 120.29 2wh1 h ILE 120 Ca -0.01 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2wh1 h ILE 120 Cb 0.38 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 2wh1 h ILE 120 CO -0.09 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.43 2wh1 n ALA 121 N -2.43 0.00 -0.30 1.87 0.00 0.22 -2.47 120.51 117.40 2wh1 n ALA 121 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.84 2wh1 n ALA 121 Cb 0.82 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.53 2wh1 n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wh1 n HIS 122 N -0.35 0.55 0.26 0.00 8.25 0.22 0.13 115.22 124.29 2wh1 n HIS 122 Ca 0.00 1.03 0.13 0.00 -0.26 0.00 0.00 57.72 58.62 2wh1 n HIS 122 Cb 0.00 -1.15 0.80 0.00 1.12 0.00 0.00 29.99 30.76 2wh1 n HIS 122 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2wh1 h GLU 123 N 0.00 0.00 0.00 -0.41 4.57 -0.36 -1.05 114.58 117.33 2wh1 h GLU 123 Ca 0.52 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.54 2wh1 h GLU 123 Cb 1.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 2wh1 h GLU 123 CO -0.80 0.00 -1.42 1.28 -1.18 0.00 0.00 179.01 176.89 2wh1 n LEU 124 N -4.12 0.83 0.19 1.64 4.77 0.36 -2.79 117.00 117.87 2wh1 n LEU 124 Ca -0.02 0.36 0.06 0.00 -0.03 0.00 0.00 56.01 56.38 2wh1 n LEU 124 Cb 0.13 0.07 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 2wh1 n LEU 124 CO 0.30 0.13 0.67 0.24 -1.33 0.00 0.00 177.39 177.40 2wh1 h MET 125 N 0.00 0.00 0.00 3.23 2.86 -0.36 -1.99 114.93 118.67 2wh1 h MET 125 Ca -0.16 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2wh1 h MET 125 Cb 1.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 2wh1 h MET 125 CO 0.04 0.38 -0.38 -0.44 1.06 0.00 0.00 176.91 177.57 2wh1 h ASP 126 N 0.00 0.00 -0.50 1.22 3.45 -1.41 -3.33 116.42 115.85 2wh1 h ASP 126 Ca -0.00 -0.30 0.10 0.00 0.43 0.00 0.00 57.03 57.26 2wh1 h ASP 126 Cb 0.93 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.60 2wh1 h ASP 126 CO 0.05 0.86 -0.25 0.00 -1.57 0.00 0.00 179.24 178.33 2wh1 h ALA 127 N -0.70 0.08 -0.92 3.45 0.00 -1.58 0.49 119.26 120.08 2wh1 h ALA 127 Ca -0.07 0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.26 2wh1 h ALA 127 Cb 0.59 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2wh1 h ALA 127 CO -0.04 -0.59 0.64 0.00 0.00 0.00 0.00 179.25 179.26 2wh1 h ALA 128 N 1.14 2.63 0.17 0.00 0.00 -1.54 0.21 119.26 121.87 2wh1 h ALA 128 Ca 0.23 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 2wh1 h ALA 128 Cb 0.50 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wh1 h ALA 128 CO -0.59 -0.91 -1.60 1.49 0.00 0.00 0.00 179.25 177.64 2wh1 h GLU 129 N 0.15 0.37 0.00 0.00 4.81 -0.37 -3.41 114.58 116.13 2wh1 h GLU 129 Ca 0.46 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2wh1 h GLU 129 Cb 1.56 0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.17 2wh1 h GLU 129 CO -0.08 1.27 0.00 0.41 -0.73 0.00 0.00 179.01 179.88 2wh1 n GLY 130 N 1.75 1.92 2.59 1.92 0.00 0.12 -5.06 105.19 108.42 2wh1 n GLY 130 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2wh1 n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wh1 n LYS 131 N -0.39 1.12 -4.59 1.61 2.85 -1.03 -4.98 118.16 112.74 2wh1 n LYS 131 Ca 0.00 -3.19 -0.28 0.00 -1.05 0.00 0.00 58.31 53.79 2wh1 n LYS 131 Cb 0.00 -1.25 -0.10 0.00 -0.65 0.00 0.00 35.03 33.02 2wh1 n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wh1 s GLY 132 N -2.91 2.54 0.41 2.58 0.00 -1.26 -4.73 107.32 103.94 2wh1 s GLY 132 Ca 0.29 -2.15 0.08 0.00 0.00 0.00 0.00 44.72 42.94 2wh1 s GLY 132 CO 0.02 -2.09 2.02 -1.33 0.00 0.00 0.00 173.10 171.71 2wh1 h GLY 133 N 1.71 0.47 1.82 0.20 0.00 -1.93 -1.66 103.07 103.68 2wh1 h GLY 133 Ca -0.44 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 2wh1 h GLY 133 CO 0.80 0.20 -0.28 0.00 0.00 0.00 0.00 176.54 177.25 2wh1 h ALA 134 N 1.72 1.32 -0.14 3.60 0.00 -1.91 -2.29 119.26 121.54 2wh1 h ALA 134 Ca 0.11 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2wh1 h ALA 134 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wh1 h ALA 134 CO -0.01 0.47 -0.66 0.28 0.00 0.00 0.00 179.25 179.33 2wh1 h VAL 135 N 0.19 1.31 0.51 0.00 2.07 -1.59 -3.08 116.25 115.66 2wh1 h VAL 135 Ca 0.03 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 2wh1 h VAL 135 Cb 0.60 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2wh1 h VAL 135 CO 0.04 0.59 -0.38 0.50 0.02 0.00 0.00 177.57 178.34 2wh1 h LYS 136 N 0.39 -0.83 0.00 1.57 3.64 -1.21 0.23 116.57 120.36 2wh1 h LYS 136 Ca -0.04 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2wh1 h LYS 136 Cb 1.29 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2wh1 h LYS 136 CO 0.14 -0.55 0.00 1.63 -2.27 0.00 0.00 179.45 178.40 2wh1 n LYS 137 N -4.77 0.00 -0.04 1.90 5.02 -0.88 -0.94 118.16 118.45 2wh1 n LYS 137 Ca -0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.10 2wh1 n LYS 137 Cb 0.37 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 2wh1 n LYS 137 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wh1 n LYS 138 N -0.52 0.26 -0.20 1.97 4.81 0.10 -4.18 118.16 120.40 2wh1 n LYS 138 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2wh1 n LYS 138 Cb 0.00 -0.95 0.09 0.00 0.02 0.00 0.00 35.03 34.19 2wh1 n LYS 138 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wh1 h GLU 139 N -0.47 0.10 0.01 1.64 5.08 0.12 -0.92 114.58 120.15 2wh1 h GLU 139 Ca -0.14 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2wh1 h GLU 139 Cb 0.80 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 2wh1 h GLU 139 CO -0.08 0.07 -0.42 0.22 -1.00 0.00 0.00 179.01 177.79 2wh1 h ASP 140 N 0.10 -1.31 0.00 1.42 3.58 -1.55 0.46 116.42 119.13 2wh1 h ASP 140 Ca 0.31 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.90 2wh1 h ASP 140 Cb 0.49 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2wh1 h ASP 140 CO -0.52 -0.42 0.48 0.58 -2.88 0.00 0.00 179.24 176.48 2wh1 h VAL 141 N -0.54 0.00 0.02 2.25 2.07 -1.37 0.42 116.25 119.10 2wh1 h VAL 141 Ca 0.01 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.16 2wh1 h VAL 141 Cb 0.58 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2wh1 h VAL 141 CO -0.28 0.00 -2.27 -0.62 0.02 0.00 0.00 177.57 174.43 2wh1 n GLU 142 N -2.43 0.68 -0.30 1.57 1.02 0.71 -4.16 120.64 117.74 2wh1 n GLU 142 Ca -0.01 0.14 0.01 0.00 -0.02 0.00 0.00 57.16 57.29 2wh1 n GLU 142 Cb 0.51 -1.59 0.21 0.00 -0.02 0.00 0.00 31.44 30.54 2wh1 n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh1 h ARG 143 N 0.01 1.08 0.38 3.49 3.08 0.41 -2.42 114.38 120.41 2wh1 h ARG 143 Ca -0.50 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 2wh1 h ARG 143 Cb 2.04 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.82 2wh1 h ARG 143 CO -0.00 0.72 -0.51 0.52 -1.07 0.00 0.00 179.97 179.62 2wh1 h MET 144 N 1.11 -0.89 -7.29 0.04 2.86 -1.59 -3.15 114.93 106.03 2wh1 h MET 144 Ca 0.35 0.06 -0.47 0.00 -2.06 0.00 0.00 59.70 57.58 2wh1 h MET 144 Cb 0.01 0.20 0.17 0.00 0.06 0.00 0.00 31.60 32.04 2wh1 h MET 144 CO -0.10 -0.59 0.18 0.00 1.06 0.00 0.00 176.91 177.45 2wh1 s ALA 145 N -5.80 0.90 0.00 6.32 0.00 -0.91 -2.08 121.76 120.20 2wh1 s ALA 145 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2wh1 s ALA 145 Cb 0.05 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2wh1 s ALA 145 CO 0.60 -2.88 0.00 -1.91 0.00 0.00 0.00 175.76 171.57 2wh1 n GLU 146 N -4.25 0.00 0.15 0.00 0.00 -1.26 -4.28 120.64 111.01 2wh1 n GLU 146 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.27 2wh1 n GLU 146 Cb 0.55 -0.64 0.05 0.00 0.00 0.00 0.00 31.44 31.40 2wh1 n GLU 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wh1 h ALA 147 N 0.00 0.75 -0.45 4.31 0.00 -1.40 -2.76 119.26 119.71 2wh1 h ALA 147 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wh1 h ALA 147 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wh1 h ALA 147 CO 0.00 0.47 0.00 0.09 0.00 0.00 0.00 179.25 179.81 2wh1 n ASN 148 N -3.16 3.90 0.00 0.00 5.03 -0.88 -4.59 115.26 115.56 2wh1 n ASN 148 Ca 0.02 -2.44 0.00 0.00 0.87 0.00 0.00 54.58 53.03 2wh1 n ASN 148 Cb 0.69 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 2wh1 n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wh1 n ARG 149 N 0.50 0.00 0.04 3.52 0.63 -1.04 -1.32 116.66 118.98 2wh1 n ARG 149 Ca 0.20 0.04 -0.03 0.00 -0.92 0.00 0.00 57.85 57.14 2wh1 n ARG 149 Cb 0.73 -1.53 -0.01 0.00 0.45 0.00 0.00 32.46 32.10 2wh1 n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh1 h ALA 150 N 1.07 -0.23 0.00 5.13 0.00 -1.85 -3.27 119.26 120.12 2wh1 h ALA 150 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wh1 h ALA 150 Cb 0.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wh1 h ALA 150 CO 0.00 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 179.70 2wh1 n TYR 151 N -4.33 0.00 1.46 0.00 4.02 -0.43 -3.83 117.16 114.05 2wh1 n TYR 151 Ca -0.02 -0.33 0.13 0.00 -0.01 0.00 0.00 57.90 57.67 2wh1 n TYR 151 Cb 0.07 -0.20 0.51 0.00 -0.02 0.00 0.00 39.34 39.71 2wh1 n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wh1 n ALA 152 N 0.53 2.57 1.16 -0.72 0.00 -1.23 -3.83 120.51 118.98 2wh1 n ALA 152 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.01 2wh1 n ALA 152 Cb 0.36 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.72 2wh1 n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wh1 n HIS 153 N 0.14 0.29 -0.07 0.00 1.44 -1.25 -3.82 115.22 111.95 2wh1 n HIS 153 Ca 0.19 -0.12 -0.11 0.00 -2.01 0.00 0.00 57.72 55.66 2wh1 n HIS 153 Cb 0.33 -0.07 -0.04 0.00 0.12 0.00 0.00 29.99 30.33 2wh1 n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wh1 n TYR 154 N 0.02 0.00 0.00 -1.40 0.53 -1.25 -4.94 117.16 110.11 2wh1 n TYR 154 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 2wh1 n TYR 154 Cb 0.25 -0.49 0.00 0.00 -1.03 0.00 0.00 39.34 38.08 2wh1 n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wh1 n ARG 155 N -4.17 0.00 -0.09 -0.72 1.74 -1.25 -5.20 116.66 106.98 2wh1 n ARG 155 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2wh1 n ARG 155 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2wh1 n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44