#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 h ARG 3 N 0.00 0.08 0.00 0.00 2.43 -2.06 -3.43 114.38 111.40 2wh3 h ARG 3 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2wh3 h ARG 3 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wh3 h ARG 3 CO 0.00 0.92 0.00 0.54 -1.51 0.00 0.00 179.97 179.92 2wh3 n ARG 4 N -3.31 0.00 -2.91 0.20 1.74 -1.26 -4.98 116.66 106.14 2wh3 n ARG 4 Ca -0.09 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.67 2wh3 n ARG 4 Cb 1.00 -0.06 -0.05 0.00 -1.02 0.00 0.00 32.46 32.33 2wh3 n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh3 s ARG 5 N 0.00 4.00 0.00 5.56 3.00 -1.26 -4.93 118.95 125.32 2wh3 s ARG 5 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 55.73 56.50 2wh3 s ARG 5 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 34.95 32.63 2wh3 s ARG 5 CO 0.00 0.02 1.04 -2.13 0.00 0.00 0.00 175.30 174.23 2wh3 n ARG 6 N -0.79 0.67 -0.33 3.54 0.63 -1.26 -4.83 116.66 114.29 2wh3 n ARG 6 Ca 0.05 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.02 2wh3 n ARG 6 Cb 0.54 -1.17 -0.01 0.00 0.45 0.00 0.00 32.46 32.27 2wh3 n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh3 n ALA 7 N 1.23 -1.21 -3.26 5.13 0.00 -1.26 -4.85 120.51 116.28 2wh3 n ALA 7 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 2wh3 n ALA 7 Cb 0.33 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 2wh3 n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wh3 s GLU 8 N -0.68 0.45 0.00 0.00 2.02 -1.26 -5.13 118.70 114.09 2wh3 s GLU 8 Ca 0.00 0.55 -0.25 0.00 0.02 0.00 0.00 54.97 55.29 2wh3 s GLU 8 Cb 0.00 -0.09 -0.13 0.00 0.10 0.00 0.00 34.13 34.02 2wh3 s GLU 8 CO 0.00 -0.79 0.67 0.28 0.02 0.00 0.00 175.26 175.45 2wh3 n VAL 9 N 5.39 0.03 -2.79 2.63 0.31 -1.26 -4.87 118.33 117.76 2wh3 n VAL 9 Ca -0.01 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 2wh3 n VAL 9 Cb 0.51 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.40 2wh3 n VAL 9 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wh3 s ARG 10 N -0.01 4.55 -0.15 5.55 3.52 -1.26 -5.03 118.95 126.10 2wh3 s ARG 10 Ca 0.58 1.30 -0.16 0.00 -0.13 0.00 0.00 55.73 57.32 2wh3 s ARG 10 Cb -0.81 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 2wh3 s ARG 10 CO 0.36 0.01 0.38 -1.14 -0.81 0.00 0.00 175.30 174.09 2wh3 s GLN 11 N 0.85 4.27 0.82 5.12 2.00 -1.26 -5.09 119.66 126.37 2wh3 s GLN 11 Ca 0.48 0.23 -0.09 0.00 -2.00 0.00 0.00 55.36 53.99 2wh3 s GLN 11 Cb -0.21 -3.45 0.14 0.00 0.80 0.00 0.00 33.01 30.29 2wh3 s GLN 11 CO 0.26 0.16 1.14 -0.51 -0.50 0.00 0.00 175.29 175.83 2wh3 s LEU 12 N 0.69 2.81 -0.09 3.68 1.43 -1.26 -5.10 118.68 120.85 2wh3 s LEU 12 Ca 0.20 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2wh3 s LEU 12 Cb -0.14 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2wh3 s LEU 12 CO 0.07 -2.15 -0.07 -1.58 0.23 0.00 0.00 176.35 172.85 2wh3 s GLN 13 N -5.49 2.94 1.00 1.70 0.74 -1.26 -5.01 119.66 114.28 2wh3 s GLN 13 Ca 0.68 -0.56 -0.16 0.00 0.05 0.00 0.00 55.36 55.37 2wh3 s GLN 13 Cb -0.06 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.41 2wh3 s GLN 13 CO 0.48 0.56 -0.02 -2.30 -0.55 0.00 0.00 175.29 173.46 2wh3 n PRO 14 N 2.54 -0.47 -2.97 1.67 -0.02 -1.26 -4.63 135.00 129.86 2wh3 n PRO 14 Ca -0.18 -0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 60.78 2wh3 n PRO 14 Cb 0.53 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 2wh3 n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wh3 s ASP 15 N -1.73 6.85 0.00 2.55 3.68 -1.19 -4.70 116.67 122.13 2wh3 s ASP 15 Ca 0.52 1.04 0.00 0.00 2.13 0.00 0.00 52.55 56.25 2wh3 s ASP 15 Cb -0.17 -2.41 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 2wh3 s ASP 15 CO 0.70 -0.36 0.13 0.18 0.13 0.00 0.00 175.17 175.95 2wh3 n LEU 16 N 5.20 0.28 0.03 -1.34 4.77 -1.26 0.15 117.00 124.84 2wh3 n LEU 16 Ca 0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2wh3 n LEU 16 Cb 0.49 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2wh3 n LEU 16 CO 0.47 0.06 0.00 0.52 -1.33 0.00 0.00 177.39 177.11 2wh3 n VAL 17 N 0.44 0.00 0.57 4.08 0.31 -1.26 -4.89 118.33 117.57 2wh3 n VAL 17 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wh3 n VAL 17 Cb 0.06 -0.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.66 2wh3 n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wh3 n TYR 18 N -2.67 0.00 -3.53 3.52 4.02 -1.19 -5.02 117.16 112.28 2wh3 n TYR 18 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2wh3 n TYR 18 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 2wh3 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh3 n GLY 19 N 1.05 -1.11 2.89 2.72 0.00 0.40 -4.82 105.19 106.31 2wh3 n GLY 19 Ca 0.05 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 2wh3 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh3 s ASP 20 N -3.29 0.66 0.26 1.61 -1.08 -1.26 -4.36 116.67 109.20 2wh3 s ASP 20 Ca 0.31 -0.08 -0.03 0.00 -0.52 0.00 0.00 52.55 52.23 2wh3 s ASP 20 Cb -0.10 -0.26 0.32 0.00 -1.46 0.00 0.00 42.92 41.42 2wh3 s ASP 20 CO 0.83 -0.03 1.76 -0.37 0.52 0.00 0.00 175.17 177.88 2wh3 h VAL 21 N 5.84 1.24 0.29 1.11 -1.51 -1.91 -2.80 116.25 118.51 2wh3 h VAL 21 Ca -0.37 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.11 2wh3 h VAL 21 Cb 1.16 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2wh3 h VAL 21 CO 0.48 0.35 -0.14 0.25 -1.23 0.00 0.00 177.57 177.28 2wh3 h LEU 22 N 0.79 -0.33 -1.69 4.19 5.85 -1.95 -2.50 115.31 119.66 2wh3 h LEU 22 Ca 0.16 -0.17 0.18 0.00 0.84 0.00 0.00 57.88 58.88 2wh3 h LEU 22 Cb 0.42 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2wh3 h LEU 22 CO 0.01 0.01 0.69 0.58 -0.34 0.00 0.00 178.44 179.39 2wh3 h VAL 23 N -0.70 0.24 0.00 1.05 2.07 -1.95 -0.76 116.25 116.20 2wh3 h VAL 23 Ca -0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 2wh3 h VAL 23 Cb 0.48 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2wh3 h VAL 23 CO 0.07 0.00 -0.75 0.71 0.02 0.00 0.00 177.57 177.62 2wh3 h THR 24 N 0.00 1.22 -0.93 2.57 1.35 -1.34 -3.28 112.91 112.49 2wh3 h THR 24 Ca 0.29 -2.20 0.27 0.00 -0.55 0.00 0.00 66.41 64.21 2wh3 h THR 24 Cb 1.67 2.59 -0.14 0.00 -1.73 0.00 0.00 68.15 70.54 2wh3 h THR 24 CO -0.00 0.41 0.38 0.00 -0.25 0.00 0.00 175.52 176.06 2wh3 h ALA 25 N -0.32 1.56 -0.79 6.62 0.00 -0.70 0.58 119.26 126.20 2wh3 h ALA 25 Ca -0.20 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wh3 h ALA 25 Cb 1.15 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2wh3 h ALA 25 CO -0.12 -0.49 0.35 0.35 0.00 0.00 0.00 179.25 179.34 2wh3 h PHE 26 N 0.28 1.17 -0.83 0.00 3.57 -1.53 -2.85 116.94 116.74 2wh3 h PHE 26 Ca 0.63 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 62.03 2wh3 h PHE 26 Cb 1.33 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2wh3 h PHE 26 CO -0.15 0.86 0.39 0.82 -2.23 0.00 0.00 178.31 178.00 2wh3 h ILE 27 N 1.14 1.26 -0.98 1.41 2.04 0.09 -2.61 117.51 119.86 2wh3 h ILE 27 Ca 0.27 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.50 2wh3 h ILE 27 Cb 0.16 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.37 2wh3 h ILE 27 CO -0.03 0.31 0.61 0.78 0.00 0.00 0.00 178.15 179.82 2wh3 h ASN 28 N 1.18 0.89 -0.49 1.72 2.35 -1.20 0.06 115.58 120.09 2wh3 h ASN 28 Ca 0.28 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2wh3 h ASN 28 Cb 0.13 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2wh3 h ASN 28 CO -0.03 0.48 0.32 0.11 -1.65 0.00 0.00 177.43 176.66 2wh3 h LYS 29 N 0.97 0.66 0.00 0.81 1.79 -1.46 0.43 116.57 119.77 2wh3 h LYS 29 Ca 0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2wh3 h LYS 29 Cb 0.46 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2wh3 h LYS 29 CO -0.26 0.45 0.00 0.82 -1.08 0.00 0.00 179.45 179.38 2wh3 h ILE 30 N 0.67 0.00 -3.71 1.86 1.08 -0.87 -3.44 117.51 113.09 2wh3 h ILE 30 Ca 0.18 -0.09 -0.51 0.00 -0.39 0.00 0.00 64.86 64.05 2wh3 h ILE 30 Cb -0.05 0.69 0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2wh3 h ILE 30 CO -0.04 0.00 0.47 -0.32 -0.69 0.00 0.00 178.15 177.57 2wh3 s MET 31 N -3.51 4.64 -0.11 2.37 1.75 0.14 -4.73 119.30 119.86 2wh3 s MET 31 Ca -0.00 1.76 -0.01 0.00 -1.25 0.00 0.00 55.69 56.19 2wh3 s MET 31 Cb 0.08 -3.23 0.03 0.00 2.84 0.00 0.00 34.83 34.55 2wh3 s MET 31 CO 0.28 0.18 -0.06 1.03 -0.65 0.00 0.00 175.02 175.80 2wh3 s ARG 32 N -1.04 1.35 -1.30 4.11 0.52 -1.26 -4.77 118.95 116.56 2wh3 s ARG 32 Ca 0.46 -0.19 -0.00 0.00 -0.52 0.00 0.00 55.73 55.47 2wh3 s ARG 32 Cb -0.31 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 33.68 2wh3 s ARG 32 CO 0.38 -0.28 0.05 -0.25 0.02 0.00 0.00 175.30 175.22 2wh3 n ASP 33 N 4.98 -4.66 0.00 0.23 8.00 -1.26 -2.22 116.55 121.62 2wh3 n ASP 33 Ca -0.11 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2wh3 n ASP 33 Cb 0.50 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 2wh3 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wh3 n GLY 34 N -1.05 0.63 2.85 0.44 0.00 -1.26 -4.88 105.19 101.92 2wh3 n GLY 34 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2wh3 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh3 n LYS 35 N -1.96 1.97 0.01 1.61 5.02 -0.94 -4.56 118.16 119.30 2wh3 n LYS 35 Ca 0.00 -1.82 -0.01 0.00 -2.02 0.00 0.00 58.31 54.46 2wh3 n LYS 35 Cb 0.03 -2.80 0.27 0.00 -0.02 0.00 0.00 35.03 32.51 2wh3 n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wh3 h LYS 36 N 6.99 0.51 -0.88 1.97 3.64 -1.90 -1.46 116.57 125.44 2wh3 h LYS 36 Ca 0.49 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2wh3 h LYS 36 Cb 0.48 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 2wh3 h LYS 36 CO 1.77 0.59 0.58 -0.97 -2.27 0.00 0.00 179.45 179.16 2wh3 h ASN 37 N 0.48 0.96 0.12 4.20 -1.24 -2.00 0.22 115.58 118.31 2wh3 h ASN 37 Ca 0.09 -0.01 -0.26 0.00 0.71 0.00 0.00 56.30 56.83 2wh3 h ASN 37 Cb 0.43 -0.22 0.03 0.00 0.73 0.00 0.00 38.32 39.29 2wh3 h ASN 37 CO 0.02 0.66 -1.09 0.25 -1.29 0.00 0.00 177.43 175.99 2wh3 h LEU 38 N 1.11 0.75 -0.11 0.34 5.85 -1.84 -2.93 115.31 118.48 2wh3 h LEU 38 Ca 0.35 -0.85 0.03 0.00 0.84 0.00 0.00 57.88 58.26 2wh3 h LEU 38 Cb 0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2wh3 h LEU 38 CO -0.10 1.52 -0.09 0.00 -0.34 0.00 0.00 178.44 179.43 2wh3 h ALA 39 N 0.24 0.00 0.09 1.25 0.00 -0.74 -2.54 119.26 117.57 2wh3 h ALA 39 Ca -0.17 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2wh3 h ALA 39 Cb 1.79 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 2wh3 h ALA 39 CO 0.21 -0.55 -0.35 0.00 0.00 0.00 0.00 179.25 178.56 2wh3 h ALA 40 N 0.98 -0.60 -0.39 0.00 0.00 -0.66 -2.87 119.26 115.72 2wh3 h ALA 40 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wh3 h ALA 40 Cb 0.21 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2wh3 h ALA 40 CO -0.18 -0.90 0.00 0.54 0.00 0.00 0.00 179.25 178.71 2wh3 n ARG 41 N -5.44 0.00 -0.27 0.00 1.74 -1.06 -1.97 116.66 109.66 2wh3 n ARG 41 Ca -0.06 0.91 -0.02 0.00 -0.77 0.00 0.00 57.85 57.91 2wh3 n ARG 41 Cb 0.35 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 2wh3 n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wh3 n ILE 42 N -2.70 -0.39 -0.08 0.55 5.41 -0.98 -0.03 119.36 121.15 2wh3 n ILE 42 Ca 0.00 1.65 -0.12 0.00 1.00 0.00 0.00 62.75 65.28 2wh3 n ILE 42 Cb 0.00 -2.15 -0.08 0.00 -0.71 0.00 0.00 39.64 36.70 2wh3 n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wh3 h PHE 43 N 0.00 -1.38 -0.60 1.39 3.57 -1.18 0.38 116.94 119.12 2wh3 h PHE 43 Ca 0.22 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 2wh3 h PHE 43 Cb 0.39 0.63 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2wh3 h PHE 43 CO -0.63 -0.42 0.27 1.88 -2.23 0.00 0.00 178.31 177.18 2wh3 h TYR 44 N -0.38 0.89 -0.92 0.41 0.99 -1.08 0.38 116.97 117.27 2wh3 h TYR 44 Ca 0.05 -0.05 0.27 0.00 2.00 0.00 0.00 58.73 60.99 2wh3 h TYR 44 Cb 0.51 -0.27 -0.04 0.00 1.00 0.00 0.00 36.73 37.93 2wh3 h TYR 44 CO -0.66 0.69 0.69 -0.44 -0.00 0.00 0.00 178.16 178.44 2wh3 h ASP 45 N 0.83 0.00 0.04 3.88 3.45 0.70 0.15 116.42 125.47 2wh3 h ASP 45 Ca 0.21 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.45 2wh3 h ASP 45 Cb 0.15 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 2wh3 h ASP 45 CO -0.02 0.00 -1.15 0.00 -1.57 0.00 0.00 179.24 176.50 2wh3 h ALA 46 N 1.47 0.21 -0.47 3.45 0.00 0.18 -3.31 119.26 120.80 2wh3 h ALA 46 Ca 0.43 -1.08 0.14 0.00 0.00 0.00 0.00 54.91 54.40 2wh3 h ALA 46 Cb 1.82 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 20.15 2wh3 h ALA 46 CO -0.00 0.67 0.65 0.00 0.00 0.00 0.00 179.25 180.56 2wh3 h LYS 48 N 0.00 0.32 -0.89 0.00 3.64 -1.28 -3.08 116.57 115.28 2wh3 h LYS 48 Ca 0.22 -0.25 0.15 0.00 -1.27 0.00 0.00 60.65 59.50 2wh3 h LYS 48 Cb 1.51 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.31 2wh3 h LYS 48 CO -0.00 0.89 0.57 0.82 -2.27 0.00 0.00 179.45 179.46 2wh3 h ILE 49 N -0.19 0.82 0.34 2.00 1.08 0.23 0.24 117.51 122.03 2wh3 h ILE 49 Ca -0.02 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2wh3 h ILE 49 Cb 0.94 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2wh3 h ILE 49 CO 0.06 0.12 -0.45 0.40 -0.69 0.00 0.00 178.15 177.59 2wh3 h ILE 50 N 0.65 0.11 -0.12 -0.67 1.08 -1.25 0.67 117.51 117.98 2wh3 h ILE 50 Ca 0.45 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.96 2wh3 h ILE 50 Cb 0.77 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 2wh3 h ILE 50 CO -0.20 0.00 -0.32 1.56 -0.69 0.00 0.00 178.15 178.50 2wh3 h GLN 51 N -0.83 -0.38 -0.07 2.37 1.08 -0.99 0.78 115.11 117.07 2wh3 h GLN 51 Ca -0.03 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2wh3 h GLN 51 Cb 0.77 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 2wh3 h GLN 51 CO -0.13 -0.25 -0.04 0.93 -0.95 0.00 0.00 178.83 178.39 2wh3 h GLU 52 N -0.39 -0.00 0.00 1.46 4.39 0.02 -2.78 114.58 117.27 2wh3 h GLU 52 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2wh3 h GLU 52 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2wh3 h GLU 52 CO -0.35 -0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.37 2wh3 h LYS 53 N -0.00 0.00 -3.73 2.33 1.57 -0.74 -3.47 116.57 112.53 2wh3 h LYS 53 Ca 0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 2wh3 h LYS 53 Cb 0.03 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.12 2wh3 h LYS 53 CO -0.07 0.00 -0.61 -0.08 -0.57 0.00 0.00 179.45 178.12 2wh3 s THR 54 N -3.19 0.08 -0.71 -0.16 -1.32 0.27 -5.00 115.64 105.61 2wh3 s THR 54 Ca 0.08 -0.66 0.19 0.00 -1.21 0.00 0.00 61.69 60.08 2wh3 s THR 54 Cb 0.07 -0.29 0.18 0.00 -1.51 0.00 0.00 72.50 70.94 2wh3 s THR 54 CO 0.65 -0.36 1.57 0.61 -2.21 0.00 0.00 174.62 174.88 2wh3 n GLY 55 N 1.82 -1.10 3.31 6.08 0.00 -1.26 -3.76 105.19 110.28 2wh3 n GLY 55 Ca -0.21 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2wh3 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh3 n GLN 56 N -1.90 -1.21 -3.93 1.61 1.13 -1.26 -4.97 117.38 106.85 2wh3 n GLN 56 Ca 0.02 -0.33 -0.34 0.00 -1.94 0.00 0.00 57.00 54.41 2wh3 n GLN 56 Cb 0.18 -1.73 -0.14 0.00 0.11 0.00 0.00 30.24 28.67 2wh3 n GLN 56 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2wh3 s GLU 57 N -3.47 2.16 0.00 -1.09 1.03 -1.26 -4.52 118.70 111.55 2wh3 s GLU 57 Ca 0.56 -1.49 0.00 0.00 0.03 0.00 0.00 54.97 54.07 2wh3 s GLU 57 Cb -0.14 -3.21 0.00 0.00 -0.80 0.00 0.00 34.13 29.98 2wh3 s GLU 57 CO 0.67 -0.75 0.06 -2.30 -1.33 0.00 0.00 175.26 171.60 2wh3 n PRO 58 N 4.52 0.00 -0.36 -4.83 -0.02 -1.26 -0.07 135.00 132.98 2wh3 n PRO 58 Ca -0.08 0.06 0.32 0.00 -2.02 0.00 0.00 63.50 61.77 2wh3 n PRO 58 Cb 0.42 -0.09 0.65 0.00 -0.02 0.00 0.00 33.50 34.47 2wh3 n PRO 58 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wh3 h LEU 59 N 0.00 0.19 0.00 2.45 5.85 -1.97 0.42 115.31 122.25 2wh3 h LEU 59 Ca 0.00 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 2wh3 h LEU 59 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2wh3 h LEU 59 CO 0.00 0.01 -0.99 0.50 -0.34 0.00 0.00 178.44 177.62 2wh3 h LYS 60 N 0.15 0.00 0.05 1.25 1.63 -0.92 -3.09 116.57 115.64 2wh3 h LYS 60 Ca 0.62 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.42 2wh3 h LYS 60 Cb 2.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.73 2wh3 h LYS 60 CO -0.16 0.39 -0.03 0.28 -3.45 0.00 0.00 179.45 176.48 2wh3 h VAL 61 N 0.00 1.30 0.00 2.00 2.07 0.24 -2.64 116.25 119.22 2wh3 h VAL 61 Ca -0.08 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2wh3 h VAL 61 Cb 1.48 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2wh3 h VAL 61 CO 0.06 0.33 0.12 0.15 0.02 0.00 0.00 177.57 178.25 2wh3 h PHE 62 N -0.71 0.00 0.13 1.57 3.57 -0.74 -1.38 116.94 119.39 2wh3 h PHE 62 Ca -0.01 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.15 2wh3 h PHE 62 Cb 0.60 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2wh3 h PHE 62 CO 0.13 0.00 -1.82 -0.22 -2.23 0.00 0.00 178.31 174.17 2wh3 h LYS 63 N 0.00 0.28 -0.18 1.11 1.63 -1.42 -3.28 116.57 114.71 2wh3 h LYS 63 Ca 0.00 -0.48 -0.22 0.00 -0.85 0.00 0.00 60.65 59.10 2wh3 h LYS 63 Cb 0.23 0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2wh3 h LYS 63 CO 0.00 1.23 -0.74 0.37 -3.45 0.00 0.00 179.45 176.86 2wh3 h GLN 64 N -0.03 0.81 0.19 1.90 4.15 -0.94 -3.05 115.11 118.14 2wh3 h GLN 64 Ca -0.39 -0.63 -0.01 0.00 0.77 0.00 0.00 58.65 58.39 2wh3 h GLN 64 Cb 1.97 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.78 2wh3 h GLN 64 CO 0.09 1.24 -0.19 0.00 -1.93 0.00 0.00 178.83 178.05 2wh3 h ALA 65 N 0.58 -0.90 -0.98 3.38 0.00 -1.48 -1.97 119.26 117.90 2wh3 h ALA 65 Ca -0.04 -0.07 0.41 0.00 0.00 0.00 0.00 54.91 55.21 2wh3 h ALA 65 Cb 1.37 0.43 -0.18 0.00 0.00 0.00 0.00 17.79 19.41 2wh3 h ALA 65 CO 0.15 -0.91 0.52 0.28 0.00 0.00 0.00 179.25 179.29 2wh3 n VAL 66 N -3.45 -0.41 -0.09 0.00 0.31 -1.23 0.75 118.33 114.20 2wh3 n VAL 66 Ca -0.04 2.00 -0.06 0.00 -0.01 0.00 0.00 64.34 66.22 2wh3 n VAL 66 Cb 0.17 -3.24 0.13 0.00 -0.91 0.00 0.00 33.84 29.99 2wh3 n VAL 66 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wh3 h GLU 67 N 0.00 0.76 -0.92 5.55 4.57 -1.28 -2.88 114.58 120.38 2wh3 h GLU 67 Ca 0.83 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.68 2wh3 h GLU 67 Cb 2.18 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.67 2wh3 h GLU 67 CO -0.76 0.86 0.08 0.09 -1.18 0.00 0.00 179.01 178.10 2wh3 n ASN 68 N -4.16 2.78 0.00 1.04 3.02 0.23 -3.29 115.26 114.88 2wh3 n ASN 68 Ca 0.01 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 2wh3 n ASN 68 Cb 0.38 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2wh3 n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wh3 n VAL 69 N 0.11 0.00 -1.76 2.41 0.31 -1.10 -4.67 118.33 113.63 2wh3 n VAL 69 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.04 2wh3 n VAL 69 Cb 0.67 0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.63 2wh3 n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wh3 s LYS 70 N -0.97 4.15 -0.25 5.55 1.02 -1.12 -4.66 119.74 123.47 2wh3 s LYS 70 Ca 0.00 2.51 -0.28 0.00 0.02 0.00 0.00 55.97 58.22 2wh3 s LYS 70 Cb 0.00 -4.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.28 2wh3 s LYS 70 CO 0.00 -0.91 0.99 -1.25 -0.92 0.00 0.00 175.35 173.26 2wh3 s PRO 71 N 4.11 4.21 0.18 -1.68 0.04 -1.26 -4.95 135.00 135.65 2wh3 s PRO 71 Ca 0.84 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 2wh3 s PRO 71 Cb -0.41 -3.66 0.11 0.00 0.04 0.00 0.00 34.50 30.59 2wh3 s PRO 71 CO 0.38 -0.64 1.62 -0.09 0.04 0.00 0.00 177.00 178.31 2wh3 h ARG 72 N 7.59 -0.14 -4.55 4.56 9.65 -1.95 -3.41 114.38 126.13 2wh3 h ARG 72 Ca -0.20 0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.45 2wh3 h ARG 72 Cb 1.07 0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.53 2wh3 h ARG 72 CO 0.96 -0.09 -0.60 -1.64 2.80 0.00 0.00 179.97 181.40 2wh3 s MET 73 N -6.11 1.22 0.19 0.20 -1.94 -1.26 -2.46 119.30 109.14 2wh3 s MET 73 Ca -0.14 -1.62 -0.14 0.00 -1.71 0.00 0.00 55.69 52.08 2wh3 s MET 73 Cb 0.15 0.28 0.01 0.00 2.01 0.00 0.00 34.83 37.28 2wh3 s MET 73 CO 0.70 -0.40 0.43 -1.83 -0.01 0.00 0.00 175.02 173.91 2wh3 s GLU 74 N -4.15 1.31 -0.32 2.03 -1.05 0.67 -4.45 118.70 112.73 2wh3 s GLU 74 Ca 0.38 -1.01 -0.07 0.00 -0.15 0.00 0.00 54.97 54.13 2wh3 s GLU 74 Cb 0.07 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2wh3 s GLU 74 CO 0.12 -0.53 0.10 0.14 0.95 0.00 0.00 175.26 176.04 2wh3 s VAL 75 N -3.92 3.83 0.13 1.83 -7.23 -1.26 -0.45 120.40 113.33 2wh3 s VAL 75 Ca 0.13 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.25 2wh3 s VAL 75 Cb 0.01 -3.11 -0.06 0.00 0.56 0.00 0.00 36.38 33.78 2wh3 s VAL 75 CO -0.01 -0.10 0.37 -0.13 -0.31 0.00 0.00 175.10 174.93 2wh3 s ARG 76 N 1.43 3.63 0.00 4.82 0.52 -0.47 -4.86 118.95 124.03 2wh3 s ARG 76 Ca -0.00 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 2wh3 s ARG 76 Cb -0.19 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.40 2wh3 s ARG 76 CO 0.03 0.49 0.00 0.45 0.02 0.00 0.00 175.30 176.29 2wh3 n SER 77 N 0.26 -0.87 0.00 0.23 2.88 -1.26 -2.20 113.62 112.66 2wh3 n SER 77 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2wh3 n SER 77 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2wh3 n SER 77 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2wh3 n ARG 78 N -0.87 0.00 -4.02 -1.46 3.00 -1.25 -4.35 116.66 107.71 2wh3 n ARG 78 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2wh3 n ARG 78 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.31 2wh3 n ARG 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2wh3 s ARG 79 N -2.00 2.11 0.06 -0.14 1.81 -1.25 -3.51 118.95 116.03 2wh3 s ARG 79 Ca 0.00 -1.07 0.23 0.00 -1.72 0.00 0.00 55.73 53.17 2wh3 s ARG 79 Cb 0.00 -2.65 0.02 0.00 -0.45 0.00 0.00 34.95 31.87 2wh3 s ARG 79 CO 0.00 -0.50 0.99 0.28 -0.68 0.00 0.00 175.30 175.39 2wh3 n VAL 80 N 4.58 0.21 0.00 3.52 0.31 0.12 -4.95 118.33 122.12 2wh3 n VAL 80 Ca -0.14 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2wh3 n VAL 80 Cb 0.45 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 2wh3 n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wh3 n GLY 81 N 1.34 1.46 3.38 2.92 0.00 -1.26 -4.76 105.19 108.27 2wh3 n GLY 81 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2wh3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLY 82 N 0.00 0.53 3.25 -0.02 0.00 -1.26 -4.94 105.19 102.76 2wh3 n GLY 82 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wh3 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 s ALA 83 N -2.58 2.23 -0.67 4.61 0.00 -1.26 -5.05 121.76 119.03 2wh3 s ALA 83 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2wh3 s ALA 83 Cb 0.00 -0.82 0.35 0.00 0.00 0.00 0.00 23.12 22.65 2wh3 s ALA 83 CO 0.00 0.33 1.21 0.09 0.00 0.00 0.00 175.76 177.39 2wh3 n ASN 84 N 3.34 5.29 -4.65 0.00 3.02 -1.24 0.13 115.26 121.15 2wh3 n ASN 84 Ca -0.18 -3.70 -0.42 0.00 -0.03 0.00 0.00 54.58 50.24 2wh3 n ASN 84 Cb 0.53 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2wh3 n ASN 84 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wh3 s TYR 85 N -3.70 1.84 -0.57 3.10 4.12 -1.23 -4.58 117.35 116.33 2wh3 s TYR 85 Ca 0.47 0.16 -0.27 0.00 0.02 0.00 0.00 57.07 57.45 2wh3 s TYR 85 Cb 0.29 -3.98 -0.01 0.00 -1.52 0.00 0.00 41.96 36.73 2wh3 s TYR 85 CO -0.16 -4.00 1.75 -0.65 0.02 0.00 0.00 175.55 172.52 2wh3 s GLN 86 N 4.32 2.87 0.23 -0.62 -0.21 -1.26 -3.86 119.66 121.12 2wh3 s GLN 86 Ca 0.77 0.68 -0.12 0.00 0.02 0.00 0.00 55.36 56.70 2wh3 s GLN 86 Cb -0.33 -4.31 -0.08 0.00 1.00 0.00 0.00 33.01 29.29 2wh3 s GLN 86 CO 0.32 -2.44 0.60 0.08 -2.12 0.00 0.00 175.29 171.72 2wh3 s VAL 87 N 8.11 4.84 0.49 1.09 1.01 -0.93 -4.88 120.40 130.13 2wh3 s VAL 87 Ca 0.65 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.28 2wh3 s VAL 87 Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2wh3 s VAL 87 CO 0.23 -0.00 0.81 -2.84 0.00 0.00 0.00 175.10 173.30 2wh3 s PRO 88 N -2.59 3.56 -0.24 2.72 0.02 -1.26 -1.36 135.00 135.85 2wh3 s PRO 88 Ca 0.46 0.26 -0.30 0.00 0.02 0.00 0.00 61.00 61.44 2wh3 s PRO 88 Cb -0.12 -2.35 0.17 0.00 0.02 0.00 0.00 34.50 32.21 2wh3 s PRO 88 CO 0.20 -0.23 1.23 0.00 -0.33 0.00 0.00 177.00 177.87 2wh3 s MET 89 N -4.73 0.25 0.76 5.54 0.23 0.40 -4.79 119.30 116.96 2wh3 s MET 89 Ca 0.48 0.04 -0.13 0.00 -1.03 0.00 0.00 55.69 55.05 2wh3 s MET 89 Cb -0.10 0.12 0.06 0.00 -1.53 0.00 0.00 34.83 33.37 2wh3 s MET 89 CO 0.45 -0.08 1.16 -1.21 -2.03 0.00 0.00 175.02 173.31 2wh3 s GLU 90 N -1.17 2.02 -0.41 3.16 2.02 -1.26 -0.24 118.70 122.82 2wh3 s GLU 90 Ca 0.06 1.58 -0.10 0.00 0.02 0.00 0.00 54.97 56.52 2wh3 s GLU 90 Cb -0.01 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.44 2wh3 s GLU 90 CO -0.05 -1.89 0.25 0.08 0.02 0.00 0.00 175.26 173.68 2wh3 s VAL 91 N -2.31 4.45 -0.07 2.63 1.01 -1.03 -4.70 120.40 120.39 2wh3 s VAL 91 Ca 0.70 -1.16 -0.39 0.00 0.00 0.00 0.00 61.98 61.12 2wh3 s VAL 91 Cb -0.25 -3.63 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 2wh3 s VAL 91 CO 0.49 -0.41 1.10 -0.24 0.00 0.00 0.00 175.10 176.03 2wh3 n SER 92 N 4.98 0.17 -0.32 3.32 2.88 -1.26 -4.30 113.62 119.09 2wh3 n SER 92 Ca -0.11 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 58.72 2wh3 n SER 92 Cb 0.44 -0.87 0.37 0.00 -0.75 0.00 0.00 64.21 63.40 2wh3 n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wh3 h PRO 93 N 3.15 0.18 -0.84 -1.46 0.13 -1.98 0.76 132.00 131.94 2wh3 h PRO 93 Ca -0.48 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wh3 h PRO 93 Cb 1.35 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2wh3 h PRO 93 CO 0.67 0.12 0.51 0.00 -0.23 0.00 0.00 178.00 179.07 2wh3 h ARG 94 N 0.19 1.13 0.07 0.86 3.08 -2.01 -2.39 114.38 115.31 2wh3 h ARG 94 Ca 0.64 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.49 2wh3 h ARG 94 Cb 1.40 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 31.22 2wh3 h ARG 94 CO -0.69 0.79 -0.44 -0.09 -1.07 0.00 0.00 179.97 178.46 2wh3 h ARG 95 N 1.16 0.18 -0.93 0.04 2.43 -0.44 -3.26 114.38 113.55 2wh3 h ARG 95 Ca 0.30 -0.28 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 2wh3 h ARG 95 Cb -0.06 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 29.44 2wh3 h ARG 95 CO -0.06 1.11 -0.34 0.94 -1.51 0.00 0.00 179.97 180.11 2wh3 n GLN 96 N -4.35 -0.20 -0.16 0.20 7.27 0.21 0.19 117.38 120.54 2wh3 n GLN 96 Ca -0.12 1.44 -0.06 0.00 0.07 0.00 0.00 57.00 58.34 2wh3 n GLN 96 Cb 0.65 -2.14 0.11 0.00 2.41 0.00 0.00 30.24 31.28 2wh3 n GLN 96 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2wh3 h GLN 97 N 0.00 0.93 0.60 3.69 4.15 -1.56 -1.76 115.11 121.16 2wh3 h GLN 97 Ca 0.34 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2wh3 h GLN 97 Cb 0.58 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 2wh3 h GLN 97 CO -0.93 0.89 -0.51 0.77 -1.93 0.00 0.00 178.83 177.12 2wh3 h SER 98 N 0.87 -1.35 -0.03 -0.69 0.02 -0.30 -0.49 113.55 111.58 2wh3 h SER 98 Ca 0.17 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2wh3 h SER 98 Cb 0.44 0.43 -0.05 0.00 0.14 0.00 0.00 62.40 63.36 2wh3 h SER 98 CO 0.02 -0.70 -0.52 -0.07 -1.14 0.00 0.00 176.83 174.42 2wh3 h LEU 99 N -1.08 -1.60 -0.42 5.07 3.38 -1.24 -1.12 115.31 118.30 2wh3 h LEU 99 Ca -0.08 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2wh3 h LEU 99 Cb 0.91 0.61 -0.05 0.00 0.09 0.00 0.00 40.66 42.22 2wh3 h LEU 99 CO -0.01 -0.49 -0.25 0.00 0.09 0.00 0.00 178.44 177.78 2wh3 n ALA 100 N -2.95 -0.27 -0.05 1.53 0.00 -0.67 -0.63 120.51 117.47 2wh3 n ALA 100 Ca -0.07 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.65 2wh3 n ALA 100 Cb 0.38 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 2wh3 n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh3 h LEU 101 N 0.00 -0.61 0.05 0.00 3.38 -0.89 -2.48 115.31 114.76 2wh3 h LEU 101 Ca 0.07 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2wh3 h LEU 101 Cb 0.17 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2wh3 h LEU 101 CO -0.40 -0.23 -0.23 -0.09 0.09 0.00 0.00 178.44 177.59 2wh3 h ARG 102 N -0.18 -0.31 -0.96 1.13 2.43 0.14 -2.30 114.38 114.34 2wh3 h ARG 102 Ca 0.14 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.63 2wh3 h ARG 102 Cb 0.39 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.86 2wh3 h ARG 102 CO -0.36 -0.21 0.40 -1.49 -1.51 0.00 0.00 179.97 176.81 2wh3 h TRP 103 N -0.32 0.63 0.11 2.20 6.55 -0.79 -0.52 115.95 123.81 2wh3 h TRP 103 Ca -0.00 0.05 0.01 0.00 0.95 0.00 0.00 58.89 59.89 2wh3 h TRP 103 Cb 0.33 -0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.47 2wh3 h TRP 103 CO -0.37 -0.24 -0.45 -0.07 -1.05 0.00 0.00 178.44 176.26 2wh3 h LEU 104 N 0.23 -1.34 0.27 -4.49 -0.00 -0.94 0.48 115.31 109.51 2wh3 h LEU 104 Ca 0.67 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.69 2wh3 h LEU 104 Cb 1.49 0.49 -0.02 0.00 -0.00 0.00 0.00 40.66 42.62 2wh3 h LEU 104 CO -0.67 -0.48 -0.31 0.58 -0.00 0.00 0.00 178.44 177.57 2wh3 h VAL 105 N -0.65 0.35 -0.36 1.22 2.07 -0.91 1.10 116.25 119.07 2wh3 h VAL 105 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2wh3 h VAL 105 Cb 0.64 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 2wh3 h VAL 105 CO -0.24 0.00 -0.52 1.56 0.02 0.00 0.00 177.57 178.40 2wh3 h GLN 106 N -0.63 -0.40 -0.53 1.57 4.20 -1.02 0.98 115.11 119.29 2wh3 h GLN 106 Ca -0.01 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.77 2wh3 h GLN 106 Cb 0.59 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 2wh3 h GLN 106 CO -0.09 -0.26 0.28 0.00 -0.67 0.00 0.00 178.83 178.09 2wh3 h ALA 107 N 0.06 0.68 -1.21 3.87 0.00 0.21 -1.57 119.26 121.30 2wh3 h ALA 107 Ca 0.09 0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.36 2wh3 h ALA 107 Cb 0.61 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2wh3 h ALA 107 CO -0.56 -0.05 0.82 0.00 0.00 0.00 0.00 179.25 179.45 2wh3 h ALA 108 N 1.27 2.72 0.00 0.00 0.00 0.37 1.26 119.26 124.88 2wh3 h ALA 108 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wh3 h ALA 108 Cb 0.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wh3 h ALA 108 CO -0.15 -1.17 -0.70 -0.91 0.00 0.00 0.00 179.25 176.33 2wh3 h ASN 109 N 0.18 0.00 0.00 0.00 2.35 -0.18 -3.27 115.58 114.66 2wh3 h ASN 109 Ca 0.66 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2wh3 h ASN 109 Cb 2.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.51 2wh3 h ASN 109 CO -0.23 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 2wh3 n GLN 110 N -2.23 0.93 -3.89 0.81 6.02 0.43 -4.77 117.38 114.69 2wh3 n GLN 110 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 2wh3 n GLN 110 Cb 0.46 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 2wh3 n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wh3 s ARG 111 N -1.30 3.46 -0.01 -1.09 0.52 -1.20 -5.03 118.95 114.30 2wh3 s ARG 111 Ca 0.00 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 54.80 2wh3 s ARG 111 Cb 0.00 -2.98 0.21 0.00 0.52 0.00 0.00 34.95 32.70 2wh3 s ARG 111 CO 0.00 0.54 1.14 -0.35 0.02 0.00 0.00 175.30 176.65 2wh3 n PRO 112 N -0.16 1.61 -2.48 3.54 -0.04 -1.26 -4.95 135.00 131.26 2wh3 n PRO 112 Ca -0.06 -0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 62.20 2wh3 n PRO 112 Cb 0.53 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 2wh3 n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wh3 s GLU 113 N -1.68 3.91 0.00 0.54 0.41 -1.26 -5.02 118.70 115.61 2wh3 s GLU 113 Ca 0.16 1.51 0.00 0.00 -0.41 0.00 0.00 54.97 56.22 2wh3 s GLU 113 Cb 0.09 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 2wh3 s GLU 113 CO 0.10 -0.36 0.48 0.54 -0.49 0.00 0.00 175.26 175.53 2wh3 n ARG 114 N -0.55 0.00 -0.34 1.61 5.12 -1.26 -4.86 116.66 116.38 2wh3 n ARG 114 Ca 0.07 0.26 -0.25 0.00 -1.93 0.00 0.00 57.85 56.00 2wh3 n ARG 114 Cb 0.50 -1.08 0.24 0.00 -1.16 0.00 0.00 32.46 30.96 2wh3 n ARG 114 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wh3 n ARG 115 N -1.29 -3.85 -0.09 5.56 1.74 -1.26 -5.00 116.66 112.47 2wh3 n ARG 115 Ca 0.00 -1.14 -0.16 0.00 -0.77 0.00 0.00 57.85 55.78 2wh3 n ARG 115 Cb 0.00 -1.75 -0.05 0.00 -1.02 0.00 0.00 32.46 29.63 2wh3 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh3 n ALA 116 N -5.28 1.43 -0.32 7.54 0.00 -1.26 -4.29 120.51 118.34 2wh3 n ALA 116 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.75 2wh3 n ALA 116 Cb 0.49 0.14 0.03 0.00 0.00 0.00 0.00 19.45 20.12 2wh3 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 n ALA 117 N -4.13 -0.11 -0.18 0.00 0.00 -1.26 0.14 120.51 114.97 2wh3 n ALA 117 Ca -0.28 0.82 -0.04 0.00 0.00 0.00 0.00 53.44 53.94 2wh3 n ALA 117 Cb 0.62 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.73 2wh3 n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wh3 h VAL 118 N 0.00 0.27 0.12 0.00 -1.51 -1.91 0.58 116.25 113.80 2wh3 h VAL 118 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 2wh3 h VAL 118 Cb 0.49 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 29.90 2wh3 h VAL 118 CO -0.82 0.00 -0.24 0.03 -1.23 0.00 0.00 177.57 175.31 2wh3 h ARG 119 N -0.13 -0.38 -0.93 5.19 3.08 0.11 0.62 114.38 121.94 2wh3 h ARG 119 Ca 0.24 0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.58 2wh3 h ARG 119 Cb 0.51 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.51 2wh3 h ARG 119 CO -0.62 -0.25 0.40 0.82 -1.07 0.00 0.00 179.97 179.24 2wh3 h ILE 120 N -0.39 0.36 0.00 2.04 1.08 -0.76 0.36 117.51 120.20 2wh3 h ILE 120 Ca -0.01 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2wh3 h ILE 120 Cb 0.37 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 2wh3 h ILE 120 CO -0.10 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.42 2wh3 n ALA 121 N -2.51 0.00 -0.30 1.87 0.00 0.20 -2.45 120.51 117.32 2wh3 n ALA 121 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.82 2wh3 n ALA 121 Cb 0.78 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.47 2wh3 n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wh3 n HIS 122 N -0.36 0.54 0.27 0.00 8.25 0.20 0.12 115.22 124.25 2wh3 n HIS 122 Ca 0.00 1.04 0.14 0.00 -0.26 0.00 0.00 57.72 58.64 2wh3 n HIS 122 Cb 0.00 -1.14 0.83 0.00 1.12 0.00 0.00 29.99 30.80 2wh3 n HIS 122 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2wh3 h GLU 123 N 0.00 0.00 0.00 -0.41 4.57 -0.34 -0.92 114.58 117.48 2wh3 h GLU 123 Ca 0.52 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.54 2wh3 h GLU 123 Cb 1.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 2wh3 h GLU 123 CO -0.81 0.00 -1.47 1.28 -1.18 0.00 0.00 179.01 176.83 2wh3 n LEU 124 N -4.03 0.78 0.19 1.64 4.77 0.33 -2.86 117.00 117.82 2wh3 n LEU 124 Ca -0.02 0.34 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 2wh3 n LEU 124 Cb 0.13 0.08 0.34 0.00 -2.33 0.00 0.00 43.42 41.64 2wh3 n LEU 124 CO 0.29 0.14 0.70 0.24 -1.33 0.00 0.00 177.39 177.43 2wh3 h MET 125 N 0.00 0.00 0.00 3.23 2.86 -0.36 -1.99 114.93 118.67 2wh3 h MET 125 Ca -0.17 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 2wh3 h MET 125 Cb 1.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 2wh3 h MET 125 CO 0.04 0.33 -0.41 -0.44 1.06 0.00 0.00 176.91 177.49 2wh3 h ASP 126 N 0.00 0.00 -0.50 1.22 3.45 -1.41 -3.33 116.42 115.85 2wh3 h ASP 126 Ca -0.00 -0.29 0.10 0.00 0.43 0.00 0.00 57.03 57.26 2wh3 h ASP 126 Cb 0.90 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.57 2wh3 h ASP 126 CO 0.04 0.87 -0.26 0.00 -1.57 0.00 0.00 179.24 178.33 2wh3 h ALA 127 N -0.71 0.06 -0.92 3.45 0.00 -1.58 0.60 119.26 120.15 2wh3 h ALA 127 Ca -0.07 0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.25 2wh3 h ALA 127 Cb 0.61 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2wh3 h ALA 127 CO -0.04 -0.61 0.64 0.00 0.00 0.00 0.00 179.25 179.24 2wh3 h ALA 128 N 1.11 2.62 0.17 0.00 0.00 -1.54 0.24 119.26 121.85 2wh3 h ALA 128 Ca 0.22 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 2wh3 h ALA 128 Cb 0.50 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wh3 h ALA 128 CO -0.59 -0.90 -1.61 1.49 0.00 0.00 0.00 179.25 177.64 2wh3 h GLU 129 N 0.15 0.36 0.00 0.00 4.81 -0.24 -3.41 114.58 116.25 2wh3 h GLU 129 Ca 0.46 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2wh3 h GLU 129 Cb 1.56 0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.16 2wh3 h GLU 129 CO -0.08 1.25 0.00 0.41 -0.73 0.00 0.00 179.01 179.86 2wh3 n GLY 130 N 1.75 1.93 2.62 1.92 0.00 0.16 -5.06 105.19 108.51 2wh3 n GLY 130 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2wh3 n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wh3 n LYS 131 N -0.37 1.13 -4.57 1.61 2.85 -1.00 -4.98 118.16 112.83 2wh3 n LYS 131 Ca 0.00 -3.16 -0.28 0.00 -1.05 0.00 0.00 58.31 53.82 2wh3 n LYS 131 Cb 0.00 -1.21 -0.10 0.00 -0.65 0.00 0.00 35.03 33.07 2wh3 n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wh3 s GLY 132 N -2.91 2.57 0.41 2.58 0.00 -1.26 -4.73 107.32 103.98 2wh3 s GLY 132 Ca 0.28 -1.95 0.09 0.00 0.00 0.00 0.00 44.72 43.14 2wh3 s GLY 132 CO 0.02 -2.09 2.01 -1.33 0.00 0.00 0.00 173.10 171.71 2wh3 h GLY 133 N 1.64 0.39 1.80 0.20 0.00 -1.93 -1.67 103.07 103.49 2wh3 h GLY 133 Ca -0.44 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 2wh3 h GLY 133 CO 0.78 0.17 -0.28 0.00 0.00 0.00 0.00 176.54 177.21 2wh3 h ALA 134 N 1.73 1.29 -0.14 3.60 0.00 -1.91 -2.25 119.26 121.57 2wh3 h ALA 134 Ca 0.09 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 2wh3 h ALA 134 Cb 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wh3 h ALA 134 CO -0.01 0.48 -0.68 0.28 0.00 0.00 0.00 179.25 179.33 2wh3 h VAL 135 N 0.21 1.31 0.46 0.00 2.07 -1.59 -3.08 116.25 115.62 2wh3 h VAL 135 Ca 0.03 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 2wh3 h VAL 135 Cb 0.61 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2wh3 h VAL 135 CO 0.04 0.60 -0.37 0.50 0.02 0.00 0.00 177.57 178.36 2wh3 h LYS 136 N 0.40 -0.77 0.00 1.57 3.64 -1.22 0.27 116.57 120.46 2wh3 h LYS 136 Ca -0.05 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wh3 h LYS 136 Cb 1.31 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2wh3 h LYS 136 CO 0.14 -0.51 0.00 1.63 -2.27 0.00 0.00 179.45 178.44 2wh3 n LYS 137 N -4.65 0.00 -0.03 1.90 5.02 -0.87 -0.82 118.16 118.71 2wh3 n LYS 137 Ca -0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.12 2wh3 n LYS 137 Cb 0.35 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 2wh3 n LYS 137 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wh3 n LYS 138 N -0.50 0.24 -0.21 1.97 4.81 0.17 -4.20 118.16 120.44 2wh3 n LYS 138 Ca 0.00 0.10 0.01 0.00 -0.87 0.00 0.00 58.31 57.55 2wh3 n LYS 138 Cb 0.00 -0.91 0.11 0.00 0.02 0.00 0.00 35.03 34.25 2wh3 n LYS 138 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wh3 h GLU 139 N -0.43 0.15 0.05 1.64 5.08 0.15 -0.97 114.58 120.24 2wh3 h GLU 139 Ca -0.13 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2wh3 h GLU 139 Cb 0.80 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2wh3 h GLU 139 CO -0.08 0.10 -0.46 0.22 -1.00 0.00 0.00 179.01 177.79 2wh3 h ASP 140 N 0.16 -1.39 0.00 1.42 3.58 -1.52 0.38 116.42 119.04 2wh3 h ASP 140 Ca 0.33 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.93 2wh3 h ASP 140 Cb 0.53 0.52 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2wh3 h ASP 140 CO -0.50 -0.46 0.46 0.58 -2.88 0.00 0.00 179.24 176.44 2wh3 h VAL 141 N -0.61 0.00 0.03 2.25 2.07 -1.38 0.35 116.25 118.96 2wh3 h VAL 141 Ca 0.00 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.16 2wh3 h VAL 141 Cb 0.63 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2wh3 h VAL 141 CO -0.28 0.00 -2.25 -0.62 0.02 0.00 0.00 177.57 174.44 2wh3 n GLU 142 N -2.48 0.68 -0.35 1.57 1.02 0.41 -4.16 120.64 117.33 2wh3 n GLU 142 Ca -0.01 0.16 0.01 0.00 -0.02 0.00 0.00 57.16 57.30 2wh3 n GLU 142 Cb 0.49 -1.60 0.17 0.00 -0.02 0.00 0.00 31.44 30.48 2wh3 n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh3 h ARG 143 N 0.02 1.17 0.29 3.49 3.08 0.36 -2.30 114.38 120.49 2wh3 h ARG 143 Ca -0.50 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.48 2wh3 h ARG 143 Cb 2.03 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 31.78 2wh3 h ARG 143 CO 0.00 0.77 -0.48 0.52 -1.07 0.00 0.00 179.97 179.72 2wh3 h MET 144 N 1.21 -0.80 -7.31 0.04 2.86 -1.58 -3.15 114.93 106.19 2wh3 h MET 144 Ca 0.40 0.05 -0.47 0.00 -2.06 0.00 0.00 59.70 57.62 2wh3 h MET 144 Cb 0.05 0.18 0.16 0.00 0.06 0.00 0.00 31.60 32.06 2wh3 h MET 144 CO -0.13 -0.54 0.20 0.00 1.06 0.00 0.00 176.91 177.51 2wh3 s ALA 145 N -5.87 1.14 0.00 6.32 0.00 -0.86 -2.13 121.76 120.35 2wh3 s ALA 145 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2wh3 s ALA 145 Cb 0.06 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2wh3 s ALA 145 CO 0.62 -2.69 0.00 -1.91 0.00 0.00 0.00 175.76 171.78 2wh3 n GLU 146 N -4.11 0.00 0.16 0.00 0.00 -1.26 -4.29 120.64 111.14 2wh3 n GLU 146 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.30 2wh3 n GLU 146 Cb 0.55 -0.59 0.08 0.00 0.00 0.00 0.00 31.44 31.48 2wh3 n GLU 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wh3 h ALA 147 N 0.00 0.79 -0.46 4.31 0.00 -1.43 -2.78 119.26 119.69 2wh3 h ALA 147 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wh3 h ALA 147 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wh3 h ALA 147 CO 0.00 0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.66 2wh3 n ASN 148 N -3.10 3.86 0.00 0.00 5.03 -0.91 -4.60 115.26 115.55 2wh3 n ASN 148 Ca 0.02 -2.38 0.00 0.00 0.87 0.00 0.00 54.58 53.09 2wh3 n ASN 148 Cb 0.64 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 2wh3 n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wh3 n ARG 149 N 0.59 0.00 0.04 3.52 0.63 -1.05 -1.26 116.66 119.12 2wh3 n ARG 149 Ca 0.20 0.05 -0.03 0.00 -0.92 0.00 0.00 57.85 57.15 2wh3 n ARG 149 Cb 0.71 -1.54 -0.01 0.00 0.45 0.00 0.00 32.46 32.06 2wh3 n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh3 h ALA 150 N 1.03 -0.21 0.00 5.13 0.00 -1.85 -3.27 119.26 120.09 2wh3 h ALA 150 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wh3 h ALA 150 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wh3 h ALA 150 CO 0.00 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 179.71 2wh3 n TYR 151 N -4.11 0.00 1.41 0.00 4.02 -0.39 -3.78 117.16 114.31 2wh3 n TYR 151 Ca -0.02 -0.34 0.13 0.00 -0.01 0.00 0.00 57.90 57.66 2wh3 n TYR 151 Cb 0.07 -0.20 0.48 0.00 -0.02 0.00 0.00 39.34 39.66 2wh3 n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wh3 n ALA 152 N 0.57 2.56 1.14 -0.72 0.00 -1.23 -3.83 120.51 119.00 2wh3 n ALA 152 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 53.44 52.99 2wh3 n ALA 152 Cb 0.36 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 18.74 2wh3 n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wh3 n HIS 153 N 0.21 0.31 -0.07 0.00 1.44 -1.25 -3.84 115.22 112.02 2wh3 n HIS 153 Ca 0.18 -0.13 -0.11 0.00 -2.01 0.00 0.00 57.72 55.65 2wh3 n HIS 153 Cb 0.34 -0.07 -0.04 0.00 0.12 0.00 0.00 29.99 30.34 2wh3 n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wh3 n TYR 154 N 0.03 0.00 0.00 -1.40 0.53 -1.25 -4.94 117.16 110.13 2wh3 n TYR 154 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 2wh3 n TYR 154 Cb 0.26 -0.48 0.00 0.00 -1.03 0.00 0.00 39.34 38.09 2wh3 n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wh3 n ARG 155 N -4.16 0.00 -0.09 -0.72 1.74 -1.25 -5.20 116.66 106.98 2wh3 n ARG 155 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2wh3 n ARG 155 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2wh3 n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44